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"atom": "///D/128/OP2", "nt": "///D/128", "vert_dist": 2.474 }, { "index": 5, "type": "sugar", "atom": "///D/128/O2'", "nt": "///D/129", "vert_dist": 2.540 }, { "index": 6, "type": "sugar", "atom": "///D/146/O2'", "nt": "///D/130", "vert_dist": 3.151 }, { "index": 7, "type": "phosphate", "atom": "///D/139/OP2", "nt": "///D/137", "vert_dist": 3.011 }, { "index": 8, "type": "sugar", "atom": "///E/12/O4'", "nt": "///E/11", "vert_dist": 3.466 }, { "index": 9, "type": "sugar", "atom": "///E/13/O4'", "nt": "///E/12", "vert_dist": 3.154 }, { "index": 10, "type": "phosphate", "atom": "///E/56/OP2", "nt": "///E/54", "vert_dist": 2.769 }, { "index": 11, "type": "phosphate", "atom": "///E/73/OP2", "nt": "///E/71", "vert_dist": 3.159 }, { "index": 12, "type": "sugar", "atom": "///E/81/O4'", "nt": "///E/78", "vert_dist": 3.255 }, { "index": 13, "type": "sugar", "atom": "///L/17/O4'", "nt": "///E/88", "vert_dist": 2.752 }, { "index": 14, "type": "phosphate", "atom": "///L/1/OP2", "nt": "///L/1", "vert_dist": 2.562 }, { "index": 15, "type": "phosphate", "atom": "///L/3/OP2", "nt": "///L/3", "vert_dist": 2.694 }, { "index": 16, "type": "sugar", "atom": "///L/26/O4'", "nt": "///L/23", "vert_dist": 3.226 }, { "index": 17, "type": "sugar", "atom": "///L/26/O2'", "nt": "///L/24", "vert_dist": 3.198 }, { "index": 18, "type": "other", "atom": "///y/39/OG", "nt": "///L/115", "vert_dist": 2.521 } ], "num_hairpins": 5, "hairpins": [ { "index": 1, "type": "hairpin loop", "bridging_nts": [ 11 ], "stem_indices": [ 13 ], "summary": "[1] 11 [D.91 D.103] 8", "num_nts": 13, "nts_short": "UUGCCUUUUACCA", "nts_long": "///D/91,///D/92,///D/93,///D/94,///D/95,///D/96,///D/97,///D/98,///D/99,///D/100,///D/101,///D/102,///D/103", "num_stems": 1, "bridges": [ { "index": 1, "num_nts": 11, "nts_short": "UGCCUUUUACC", "nts_long": "///D/92,///D/93,///D/94,///D/95,///D/96,///D/97,///D/98,///D/99,///D/100,///D/101,///D/102" } ] }, { "index": 2, "type": "hairpin loop", "bridging_nts": [ 6 ], "stem_indices": [ 14 ], "summary": "[1] 6 [D.135 D.142] 4", "num_nts": 8, "nts_short": "GGUAAAGC", "nts_long": "///D/135,///D/136,///D/137,///D/138,///D/139,///D/140,///D/141,///D/142", "num_stems": 1, "bridges": [ { "index": 1, "num_nts": 6, "nts_short": "GUAAAG", "nts_long": "///D/136,///D/137,///D/138,///D/139,///D/140,///D/141" } ] }, { "index": 3, "type": "hairpin loop", "bridging_nts": [ 5 ], "stem_indices": [ 15 ], "summary": "[1] 5 [E.10 E.16] 10", "num_nts": 7, "nts_short": "GUAACCC", "nts_long": "///E/10,///E/11,///E/12,///E/13,///E/14,///E/15,///E/16", "num_stems": 1, "bridges": [ { "index": 1, "num_nts": 5, "nts_short": "UAACC", "nts_long": "///E/11,///E/12,///E/13,///E/14,///E/15" } ] }, { "index": 4, "type": "hairpin loop", "bridging_nts": [ 5 ], "stem_indices": [ 19 ], "summary": "[1] 5 [E.70 E.76] 3", "num_nts": 7, "nts_short": "UGCAUAA", "nts_long": "///E/70,///E/71,///E/72,///E/73,///E/74,///E/75,///E/76", "num_stems": 1, "bridges": [ { "index": 1, "num_nts": 5, "nts_short": "GCAUA", "nts_long": "///E/71,///E/72,///E/73,///E/74,///E/75" } ] }, { "index": 5, "type": "hairpin loop", "bridging_nts": [ 4 ], "stem_indices": [ 28 ], "summary": "[1] 4 [L.1120 L.1125] 5", "num_nts": 6, "nts_short": "GUUCUU", "nts_long": "///L/1120,///L/1121,///L/1122,///L/1123,///L/1124,///L/1125", "num_stems": 1, "bridges": [ { "index": 1, "num_nts": 4, "nts_short": "UUCU", "nts_long": "///L/1121,///L/1122,///L/1123,///L/1124" } ] } ], "num_bulges": 9, "bulges": [ { "index": 1, "type": "bulge", "bridging_nts": [ 1, 0 ], "stem_indices": [ -3, -4 ], "summary": "[2] 1 0 [B.60 L.43 B.62 L.42] 1 1", "num_nts": 5, "nts_short": "UUAUG", "nts_long": "///B/60,///B/61,///B/62,///L/42,///L/43", "num_stems": 2, "bridges": [ { "index": 1, "num_nts": 1, "nts_short": "U", "nts_long": "///B/61" }, { "index": 2, "num_nts": 0, "nts_short": "", "nts_long": "" } ] }, { "index": 2, "type": "bulge", "bridging_nts": [ 1, 0 ], "stem_indices": [ 3, 4 ], "summary": "[2] 1 0 [B.69 L.35 B.71 L.34] 5 2", "num_nts": 5, "nts_short": "AACGU", "nts_long": "///B/69,///B/70,///B/71,///L/34,///L/35", "num_stems": 2, "bridges": [ { "index": 1, "num_nts": 1, "nts_short": "A", "nts_long": "///B/70" }, { "index": 2, "num_nts": 0, "nts_short": "", "nts_long": "" } ] }, { "index": 3, "type": "bulge", "bridging_nts": [ 0, 1 ], "stem_indices": [ 5, 6 ], "summary": "[2] 0 1 [D.5 D.161 D.6 D.159] 2 3", "num_nts": 5, "nts_short": "AGCUU", "nts_long": "///D/5,///D/6,///D/159,///D/160,///D/161", "num_stems": 2, "bridges": [ { "index": 1, "num_nts": 0, "nts_short": "", "nts_long": "" }, { "index": 2, "num_nts": 1, "nts_short": "U", "nts_long": "///D/160" } ] }, { "index": 4, "type": "bulge", "bridging_nts": [ 1, 0 ], "stem_indices": [ 9, 10 ], "summary": "[2] 1 0 [D.32 D.121 D.34 D.120] 5 7", "num_nts": 5, "nts_short": "GUCGU", "nts_long": "///D/32,///D/33,///D/34,///D/120,///D/121", "num_stems": 2, "bridges": [ { "index": 1, "num_nts": 1, "nts_short": "U", "nts_long": "///D/33" }, { "index": 2, "num_nts": 0, "nts_short": "", "nts_long": "" } ] }, { "index": 5, "type": "bulge", "bridging_nts": [ 1, 0 ], "stem_indices": [ 18, -5 ], "summary": "[2] 1 0 [E.65 E.82 E.67 E.81] 3 1", "num_nts": 5, "nts_short": "UCCGA", "nts_long": "///E/65,///E/66,///E/67,///E/81,///E/82", "num_stems": 2, "bridges": [ { "index": 1, "num_nts": 1, "nts_short": "C", "nts_long": "///E/66" }, { "index": 2, "num_nts": 0, "nts_short": "", "nts_long": "" } ] }, { "index": 6, "type": "bulge", "bridging_nts": [ 1, 0 ], "stem_indices": [ 26, 27 ], "summary": "[2] 1 0 [L.1100 L.1140 L.1102 L.1139] 4 2", "num_nts": 5, "nts_short": "ACCGU", "nts_long": "///L/1100,///L/1101,///L/1102,///L/1139,///L/1140", "num_stems": 2, "bridges": [ { "index": 1, "num_nts": 1, "nts_short": "C", "nts_long": "///L/1101" }, { "index": 2, "num_nts": 0, "nts_short": "", "nts_long": "" } ] }, { "index": 7, "type": "bulge", "bridging_nts": [ 0, 2 ], "stem_indices": [ 16, 17 ], "summary": "[2] 0 2 [E.58 L.26 E.59 L.23] 4 3", "num_nts": 6, "nts_short": "CAUUAG", "nts_long": "///E/58,///E/59,///L/23,///L/24,///L/25,///L/26", "num_stems": 2, "bridges": [ { "index": 1, "num_nts": 0, "nts_short": "", "nts_long": "" }, { "index": 2, "num_nts": 2, "nts_short": "UA", "nts_long": "///L/24,///L/25" } ] }, { "index": 8, "type": "bulge", "bridging_nts": [ 0, 2 ], "stem_indices": [ -5, 19 ], "summary": "[2] 0 2 [E.67 E.81 E.68 E.78] 1 3", "num_nts": 6, "nts_short": "CCGAUG", "nts_long": "///E/67,///E/68,///E/78,///E/79,///E/80,///E/81", "num_stems": 2, "bridges": [ { "index": 1, "num_nts": 0, "nts_short": "", "nts_long": "" }, { "index": 2, "num_nts": 2, "nts_short": "AU", "nts_long": "///E/79,///E/80" } ] }, { "index": 9, "type": "bulge", "bridging_nts": [ 0, 2 ], "stem_indices": [ 25, 26 ], "summary": "[2] 0 2 [L.1096 L.1146 L.1097 L.1143] 8 4", "num_nts": 6, "nts_short": "CGCUUG", "nts_long": "///L/1096,///L/1097,///L/1143,///L/1144,///L/1145,///L/1146", "num_stems": 2, "bridges": [ { "index": 1, "num_nts": 0, "nts_short": "", "nts_long": "" }, { "index": 2, "num_nts": 2, "nts_short": "UU", "nts_long": "///L/1144,///L/1145" } ] } ], "num_iloops": 8, "iloops": [ { "index": 1, "type": "symmetric internal loop", "bridging_nts": [ 1, 1 ], "stem_indices": [ 2, -2 ], "summary": "[2] 1 1 [B.6 E.47 B.8 E.45] 3 1", "num_nts": 6, "nts_short": "UCUAUA", "nts_long": "///B/6,///B/7,///B/8,///E/45,///E/46,///E/47", "num_stems": 2, "bridges": [ { "index": 1, "num_nts": 1, "nts_short": "C", "nts_long": "///B/7" }, { "index": 2, "num_nts": 1, "nts_short": "U", "nts_long": "///E/46" } ] }, { "index": 2, "type": "symmetric internal loop", "bridging_nts": [ 1, 1 ], "stem_indices": [ 21, -6 ], "summary": "[2] 1 1 [L.61 L.98 L.63 L.96] 8 1", "num_nts": 6, "nts_short": "ACUAUU", "nts_long": "///L/61,///L/62,///L/63,///L/96,///L/97,///L/98", "num_stems": 2, "bridges": [ { "index": 1, "num_nts": 1, "nts_short": "C", "nts_long": "///L/62" }, { "index": 2, "num_nts": 1, "nts_short": "U", "nts_long": "///L/97" } ] }, { "index": 3, "type": "symmetric 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1 5", "num_nts": 8, "nts_short": "AUUUAUCU", "nts_long": "///B/62,///B/63,///B/64,///B/65,///L/39,///L/40,///L/41,///L/42", "num_stems": 2, "bridges": [ { "index": 1, "num_nts": 2, "nts_short": "UU", "nts_long": "///B/63,///B/64" }, { "index": 2, "num_nts": 2, "nts_short": "UC", "nts_long": "///L/40,///L/41" } ] }, { "index": 6, "type": "asymmetric internal loop", "bridging_nts": [ 3, 1 ], "stem_indices": [ 12, 13 ], "summary": "[2] 3 1 [D.80 D.112 D.84 D.110] 2 8", "num_nts": 8, "nts_short": "GAACAUCC", "nts_long": "///D/80,///D/81,///D/82,///D/83,///D/84,///D/110,///D/111,///D/112", "num_stems": 2, "bridges": [ { "index": 1, "num_nts": 3, "nts_short": "AAC", "nts_long": "///D/81,///D/82,///D/83" }, { "index": 2, "num_nts": 1, "nts_short": "C", "nts_long": "///D/111" } ] }, { "index": 7, "type": "symmetric internal loop", "bridging_nts": [ 4, 4 ], "stem_indices": [ -7, 22 ], "summary": "[2] 4 4 [L.66 L.86 L.71 L.81] 1 4", "num_nts": 12, "nts_short": "AAUGACGCUCAU", "nts_long": "///L/66,///L/67,///L/68,///L/69,///L/70,///L/71,///L/81,///L/82,///L/83,///L/84,///L/85,///L/86", "num_stems": 2, "bridges": [ { "index": 1, "num_nts": 4, "nts_short": "AUGA", "nts_long": "///L/67,///L/68,///L/69,///L/70" }, { "index": 2, "num_nts": 4, "nts_short": "CUCA", "nts_long": "///L/82,///L/83,///L/84,///L/85" } ] }, { "index": 8, "type": "asymmetric internal loop", "bridging_nts": [ 8, 3 ], "stem_indices": [ 7, 8 ], "summary": "[2] 8 3 [D.14 D.152 D.23 D.148] 4 3", "num_nts": 15, "nts_short": "GAUCAAUGGCGUUAC", "nts_long": "///D/14,///D/15,///D/16,///D/17,///D/18,///D/19,///D/20,///D/21,///D/22,///D/23,///D/148,///D/149,///D/150,///D/151,///D/152", "num_stems": 2, "bridges": [ { "index": 1, "num_nts": 8, "nts_short": "AUCAAUGG", "nts_long": "///D/15,///D/16,///D/17,///D/18,///D/19,///D/20,///D/21,///D/22" }, { "index": 2, "num_nts": 3, "nts_short": "UUA", "nts_long": "///D/149,///D/150,///D/151" } ] } ], "num_junctions": 3, "junctions": [ { "index": 1, "type": "3-way 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"atom1_serNum": 80506, "atom2_serNum": 80508, "donAcc_type": "acceptable", "distance": 2.553, "atom1_id": "///A/3000/O31", "atom2_id": "///A/3000/O12", "atom_pair": "O:O", "residue_pair": "ligand:ligand" }, { "index": 8468, "atom1_serNum": 80510, "atom2_serNum": 80513, "donAcc_type": "acceptable", "distance": 2.554, "atom1_id": "///A/3000/O22", "atom2_id": "///A/3000/O13", "atom_pair": "O:O", "residue_pair": "ligand:ligand" }, { "index": 8469, "atom1_serNum": 80510, "atom2_serNum": 80516, "donAcc_type": "acceptable", "distance": 2.848, "atom1_id": "///A/3000/O22", "atom2_id": "///A/3000/O33", "atom_pair": "O:O", "residue_pair": "ligand:ligand" }, { "index": 8470, "atom1_serNum": 80516, "atom2_serNum": 80520, "donAcc_type": "acceptable", "distance": 3.064, "atom1_id": "///A/3000/O33", "atom2_id": "///A/3000/O24", "atom_pair": "O:O", "residue_pair": "ligand:ligand" }, { "index": 8471, "atom1_serNum": 80527, "atom2_serNum": 80528, "donAcc_type": "acceptable", "distance": 2.589, "atom1_id": "///A/3000/O45", "atom2_id": "///A/3000/O16", "atom_pair": "O:O", "residue_pair": "ligand:ligand" }, { "index": 8472, "atom1_serNum": 80527, "atom2_serNum": 80530, "donAcc_type": "acceptable", "distance": 3.049, "atom1_id": "///A/3000/O45", "atom2_id": "///A/3000/O26", "atom_pair": "O:O", "residue_pair": "ligand:ligand" }, { "index": 8473, "atom1_serNum": 80536, "atom2_serNum": 80539, "donAcc_type": "acceptable", "distance": 3.184, "atom1_id": "///C/1500/O3G", "atom2_id": "///C/1500/O1B", "atom_pair": "O:O", "residue_pair": "ligand:ligand" } ], "refCoords": { "purine": [ " 12 ATOMS, 12 BONDS", " 1 N -2.2500 5.0000 0.4000", " 2 N -2.2500 -0.5000 0.4000", " 3 N -2.2500 -0.5000 -0.4000", " 4 N -2.2500 5.0000 -0.4000", " 5 C 1.2500 5.0000 0.4000", " 6 C 1.2500 -0.5000 0.4000", " 7 C 1.2500 -0.5000 -0.4000", " 8 C 1.2500 5.0000 -0.4000", " 9 C -2.2500 5.0000 0.4000", " 10 C -2.2500 -0.5000 0.4000", " 11 C -2.2500 -0.5000 -0.4000", " 12 C -2.2500 5.0000 -0.4000", " 1 1 2", " 2 2 3", " 3 3 4", " 4 4 1", " 5 5 6", " 6 6 7", " 7 7 8", " 8 5 8", " 9 9 5", " 10 10 6", " 11 11 7", " 12 12 8" ], "pyrimidine": [ " 12 ATOMS, 12 BONDS", " 1 N -2.2500 5.0000 0.4000", " 2 N -2.2500 1.0000 0.4000", " 3 N -2.2500 1.0000 -0.4000", " 4 N -2.2500 5.0000 -0.4000", " 5 C 1.2500 5.0000 0.4000", " 6 C 1.2500 1.0000 0.4000", " 7 C 1.2500 1.0000 -0.4000", " 8 C 1.2500 5.0000 -0.4000", " 9 C -2.2500 5.0000 0.4000", " 10 C -2.2500 1.0000 0.4000", " 11 C -2.2500 1.0000 -0.4000", " 12 C -2.2500 5.0000 -0.4000", " 1 1 2", " 2 2 3", " 3 3 4", " 4 4 1", " 5 5 6", " 6 6 7", " 7 7 8", " 8 5 8", " 9 9 5", " 10 10 6", " 11 11 7", " 12 12 8" ], "wc_pair": [ " 12 ATOMS, 12 BONDS", " 1 N -2.2500 5.0000 0.4000", " 2 N -2.2500 -5.0000 0.4000", " 3 N -2.2500 -5.0000 -0.4000", " 4 N -2.2500 5.0000 -0.4000", " 5 C 2.2500 5.0000 0.4000", " 6 C 2.2500 -5.0000 0.4000", " 7 C 2.2500 -5.0000 -0.4000", " 8 C 2.2500 5.0000 -0.4000", " 9 C -2.2500 5.0000 0.4000", " 10 C -2.2500 -5.0000 0.4000", " 11 C -2.2500 -5.0000 -0.4000", " 12 C -2.2500 5.0000 -0.4000", " 1 1 2", " 2 2 3", " 3 3 4", " 4 4 1", " 5 5 6", " 6 6 7", " 7 7 8", " 8 5 8", " 9 9 5", " 10 10 6", " 11 11 7", " 12 12 8" ] }, "metadata": { "license": "http://innovation.columbia.edu/technologies/CU20391", "url": "http://x3dna.org/", "url_alt": "http://home.x3dna.org/", "forum": "http://forum.x3dna.org/", "citation": "Lu et al. (2015). 'DSSR: an integrated software tool for dissecting the spatial structure of RNA.' Nucleic Acids Res., 43(21):e142 [doi:10.1093/nar/gkv716].", "str_id": "6j6q", "num_aaChains": 38, "aaChains": "A=1913,C=921,F=161,H=95,I=102,J=27,O=357,P=205,Q=292,R=261,S=70,T=157,Z=447,a=84,b=169,c=436,d=566,e=101,g=101,h=68,i=74,j=75,k=100,l=83,m=119,n=299,o=126,p=128,q=129,r=125,s=93,t=156,u=74,v=722,w=68,x=75,y=81,z=108", "num_naChains": 4, "naChains": "B=57,D=179,E=103,L=210", "num_atoms": 80535, "num_waters": 0, "num_metals": 13, "metals_desc": "Mg=6,Zn=7", "num_notes": 52, "notes": [ { "Aminors": "A-minor interactions (including types I and II)" }, { "Cstem_index": "stem index of the 'Canonical' helix in k-turn" }, { "Cstem_pair": "Cstem bp delineating the k-turn internal loop" }, { "Dp": "perpendicular distance of the 3' P atom to the glycosidic bond" }, { "GA_pair": "sheared G-A pair in k-turn" }, { "HtypePknot": "H-type pseudoknot" }, { "Kturn": "kink-turn (k-turn)" }, { "LW": "Leontis-Westhof" }, { "NCstem_index": "stem index of the 'Non-Canonical' helix in k-turn" }, { "NCstem_pair": "NCstem bp delineating the k-turn internal loop" }, { "Uturn": "U-turn of the UNR- or GNRA-type" }, { "aa": "amino acid" }, { "atom_pair": "symbols of the two atoms involved in an H-bond" }, { "auxfiles": "auxiliary files" }, { "glyco_bond": "conformation of base related to sugar (syn or anti)" }, { "bb_type": "backbone conformation, BI or BII" }, { "bending_angle": "angle between two helical axes" }, { "bp": "base pair" }, { "bseq": "base sequence in one-letter code" }, { "bulge": "bulge loop" }, { "coaxStacks": "coaxial stacking of stems within a helix" }, { "dbn": "dot bracket notation" }, { "desc": "description" }, { "donAcc_type": "donor/acceptor type of the atom pair in an H-bond" }, { "epsilon_zeta": "difference between epsilon and zeta torsion angles" }, { "hairpin": "hairpin loop" }, { "hbond": "hydrogen bond (H-bond)" }, { "helix": "defined by base-stacking interactions, regardless of bp type and backbone connectivity" }, { "id": "identifier" }, { "iloop": "internal loop" }, { "index": "serial number" }, { "isoCanonPairs": "isolated canonical pairs" }, { "junction": "(multi-branched) junction loop" }, { "kissingLoop": "kissing loop" }, { "multiplet": "3+ bases in a coplanar geometry" }, { "na": "nucleic acid" }, { "nonPair": "two nts not forming a pair, but with H-bonding/stacking interactions" }, { "nonStack": "nucleotide not involved in stacking interactions" }, { "nt": "nucleotide" }, { "num": "number" }, { "oArea": "overlap areas between two bases, including exocyclic atoms" }, { "oArea_ring": "overlap areas between two bases, including only ring atoms" }, { "phosContacts": "H-bonding and atom-capping interactions involving a phosphate" }, { "residue_pair": "types of the two residues involved in an H-bond" }, { "rmsd": "root-mean-squares deviation" }, { "serNum": "serial number" }, { "ssSegments": "single-stranded segments not involved in loops" }, { "ssZp": "Z-coordinate of the 3' phosphorus atom with reference to the 5' base plane" }, { "sstr": "secondary structure in dbn" }, { "stem": "helix consisting of only canonical pairs, with a continuous backbone" }, { "str_id": "structure identifier, derived from inpfile with extension removed" }, { "vert_dist": "vertical distance from an atom to a base plane" } ], "num_auxfiles": 20, "auxfiles": [ { "index": 1, "name": "dssr-pairs.pdb", "desc": "an ensemble of base pairs" }, { "index": 2, "name": "dssr-multiplets.pdb", "desc": "an ensemble of multiplets" }, { "index": 3, "name": "dssr-stems.pdb", "desc": "an ensemble of stems" }, { "index": 4, "name": "dssr-helices.pdb", "desc": "an ensemble of helices (coaxial stacking)" }, { "index": 5, "name": "dssr-hairpins.pdb", "desc": "an ensemble of hairpin loops" }, { "index": 6, "name": "dssr-bulges.pdb", "desc": "an ensemble of bulges" }, { "index": 7, "name": "dssr-iloops.pdb", "desc": "an ensemble of internal loops" }, { "index": 8, "name": "dssr-junctions.pdb", "desc": "an ensemble of junctions (multi-branch)" }, { "index": 9, "name": "dssr-2ndstrs.bpseq", "desc": "secondary structure in bpseq format" }, { "index": 10, "name": "dssr-2ndstrs.ct", "desc": "secondary structure in connectivity table format" }, { "index": 11, "name": "dssr-2ndstrs.dbn", "desc": "secondary structure in dot-bracket notation" }, { "index": 12, "name": "dssr-torsions.txt", "desc": "backbone torsion angles and suite names" }, { "index": 13, "name": "dssr-splays.pdb", "desc": "an ensemble of splayed-apart units" }, { "index": 14, "name": "dssr-Aminors.pdb", "desc": "an ensemble of A minor motifs (types I and II)" }, { "index": 15, "name": "dssr-stacks.pdb", "desc": "an ensemble of base stacks" }, { "index": 16, "name": "dssr-atom2bases.pdb", "desc": "an ensemble of atom-base stacking interactions" }, { "index": 17, "name": "dssr-rotmat.txt", "desc": "position vector and rotation matrix" }, { "index": 18, "name": "dssr-viewV.pdb", "desc": "vertical view of the principal moment of inertia" }, { "index": 19, "name": "dssr-viewH.pdb", "desc": "horizontal view of the principal moment of inertia" }, { "index": 20, "name": "dssr-viewT.pdb", "desc": "top view of the principal moment of inertia" } ], "time_used": "999" } }