A0A087YI28_POEFO Loading...

DNA replication complex GINS protein PSF2

Required for correct functioning of the GINS complex, a complex that plays an essential role in the initiation of DNA replication, and progression of DNA replication forks. GINS complex is a core component of CDC45-MCM-GINS (CMG) helicase, the molecular machine that unwinds template DNA during replication, and around which the replisome is built.

AlphaFold DB , UniProt , Accession A0A087YI28, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 186 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M82.9Confident95Very high75 Ų7561.5 Ų61.537%0.36932%0.322SS..  0135.80161.2-179.7-75.700106.2E5 V6 L150 N154 E158M1-E5 HydrophobicContact CG-CB 3.82Å; M1-E5 WeakPolarHBondContact CG-OE2 3.31Å; M1-E5 HydrophobicContact SD-CB 4.37Å; M1-V6 HydrophobicContact CG-CG2 4.06Å; M1-V6 HydrophobicContact SD-CG2 3.79Å; M1-L150 HydrophobicContact SD-CD2 4.39Å; M1-N154 WeakPolarHBondContact CB-OD1 3.43Å; M1-N154 PolarHBondContact N-OD1 3.34Å; M1-N154 VanDerWaalsContact O-CG 3.24Å; M1-N154 PolarHBondContact O-ND2 3.46Å; M1-N154 PolarHBondContact O-OD1 3.36Å; M1-E158 PolarHBondContact N-OE1 3.48Å
2D92.4Very high95.1Very high83 Ų8365.8 Ų65.844%0.44434%0.335SS..  trans-70.8142.8-177.5-173.666.7000110.9S4 E5 V6D2-S4 PolarHBondContact O-N 3.24Å; D2-S4 VanDerWaalsContact O-N 3.1Å; D2-S4 WeakPolarHBondContact OD2-CB 3.45Å; D2-S4 PolarHBondContact OD2-N 2.88Å; D2-S4 PolarHBondContact OD2-OG 3.43Å; D2-E5 HydrophobicContact CB-CG 4.33Å; D2-E5 WeakPolarHBondContact O-CB 3.49Å; D2-E5 PolarHBondContact O-N 3.01Å; D2-V6 PolarHBondContact O-N 2.72Å
3P93.3Very high95.3Very high70 Ų7065.8 Ų65.846%0.45533%0.333SS..Hα-helixtrans-54.2-28.4175.7-28.837.3000114.1E5 V6 E7P3-E5 VanDerWaalsContact C-N 3.32Å; P3-E5 PolarHBondContact O-N 3.11Å; P3-V6 PolarHBondContact O-N 3.49Å; P3-E7 PolarHBondContact O-N 3.47Å
4S95.3Very high95.4Very high79 Ų7970.1 Ų70.155%0.55235%0.349SS*.Hα-helixtrans-68.8-30.3176.6-41.10000112.4D2 E7 F8D2-S4 PolarHBondContact O-N 3.24Å; D2-S4 VanDerWaalsContact O-N 3.1Å; D2-S4 WeakPolarHBondContact OD2-CB 3.45Å; D2-S4 PolarHBondContact OD2-N 2.88Å; D2-S4 PolarHBondContact OD2-OG 3.43Å; S4-E7 PolarHBondContact O-N 3.49Å; S4-F8 WeakPolarHBondContact O-CB 3.45Å; S4-F8 PolarHBondContact O-N 3.42Å
5E96.8Very high95.5Very high99 Ų9965.9 Ų65.946%0.46333%0.329SS..Hα-helixtrans-69.1-37.8174.2-67.4175.1-147.700111M1 D2 P3 F8 L9M1-E5 HydrophobicContact CG-CB 3.82Å; M1-E5 WeakPolarHBondContact CG-OE2 3.31Å; M1-E5 HydrophobicContact SD-CB 4.37Å; D2-E5 HydrophobicContact CB-CG 4.33Å; D2-E5 WeakPolarHBondContact O-CB 3.49Å; D2-E5 PolarHBondContact O-N 3.01Å; P3-E5 VanDerWaalsContact C-N 3.32Å; P3-E5 PolarHBondContact O-N 3.11Å; E5-F8 WeakPolarHBondContact O-CB 3.35Å; E5-F8 PolarHBondContact O-N 2.95Å; E5-L9 WeakPolarHBondContact O-CG 3.35Å; E5-L9 PolarHBondContact O-N 3.25Å
6V96.6Very high95.6Very high0 Ų067.9 Ų67.90%034%0.335CS..Hα-helixtrans-67.1-41.5175.7-166.70000110.5M1 D2 P3 F8 L9 A10 Y91 E94 L150 M151 N154M1-V6 HydrophobicContact CG-CG2 4.06Å; M1-V6 HydrophobicContact SD-CG2 3.79Å; D2-V6 PolarHBondContact O-N 2.72Å; P3-V6 PolarHBondContact O-N 3.49Å; V6-F8 VanDerWaalsContact C-N 3.34Å; V6-F8 PolarHBondContact O-N 3.08Å; V6-L9 WeakPolarHBondContact O-CB 3.49Å; V6-L9 PolarHBondContact O-N 2.84Å; V6-L9 VanDerWaalsContact O-N 3.14Å; V6-A10 PolarHBondContact O-N 3.43Å; V6-Y91 HydrophobicContact CG1-CD1 4.49Å; V6-Y91 HydrophobicContact CG1-CE1 4.48Å; V6-E94 WeakPolarHBondContact CG1-OE1 3.25Å; V6-L150 HydrophobicContact CG1-CB 4.3Å; V6-L150 HydrophobicContact CG1-CD2 3.95Å; V6-L150 HydrophobicContact CG1-CG 3.94Å; V6-L150 HydrophobicContact CG2-CG 4.41Å; V6-M151 HydrophobicContact CB-CE 3.72Å; V6-M151 HydrophobicContact CG1-CB 4.47Å; V6-M151 HydrophobicContact CG1-CE 3.81Å; V6-M151 HydrophobicContact CG2-CE 4.39Å; V6-N154 HydrophobicContact CG2-CB 4.37Å
7E97.1Very high95.8Very high48 Ų4863.9 Ų63.922%0.22432%0.315CS..Hα-helixtrans-59-44.7173.1-172.2168.9114.100111.6P3 S4 L9 A10 E11 K97 L98P3-E7 PolarHBondContact O-N 3.47Å; S4-E7 PolarHBondContact O-N 3.49Å; E7-L9 VanDerWaalsContact C-N 3.28Å; E7-L9 PolarHBondContact O-N 3.21Å; E7-A10 WeakPolarHBondContact O-CB 3.45Å; E7-A10 PolarHBondContact O-N 3Å; E7-A10 VanDerWaalsContact O-N 3.12Å; E7-E11 WeakPolarHBondContact O-CG 3.34Å; E7-E11 PolarHBondContact O-N 3.5Å; E7-K97 IonicContact OE2-NZ 2.7Å; E7-K97 PolarHBondContact OE2-NZ 3.42Å; E7-L98 HydrophobicContact CG-CD1 4.13Å; E7-L98 HydrophobicContact CG-CD2 4.24Å; E7-L98 HydrophobicContact CG-CG 4.43Å
8F97.5Very high95.9Very high128 Ų12863.4 Ų63.456%0.56131%0.313SS*.Hα-helixtrans-60.3-34.4174.8175.1-100.9000113.3S4 E5 V6S4-F8 WeakPolarHBondContact O-CB 3.45Å; S4-F8 PolarHBondContact O-N 3.42Å; E5-F8 WeakPolarHBondContact O-CB 3.35Å; E5-F8 PolarHBondContact O-N 2.95Å; V6-F8 VanDerWaalsContact C-N 3.34Å; V6-F8 PolarHBondContact O-N 3.08Å
9L97.8Very high96Very high47 Ų4760.2 Ų60.225%0.24630%0.297CS..Hα-helixtrans-69.9-42.1173.6-67.8175.5000111.7E5 V6 E7 E11 K12 Y91 L150E5-L9 WeakPolarHBondContact O-CG 3.35Å; E5-L9 PolarHBondContact O-N 3.25Å; V6-L9 WeakPolarHBondContact O-CB 3.49Å; V6-L9 PolarHBondContact O-N 2.84Å; V6-L9 VanDerWaalsContact O-N 3.14Å; E7-L9 VanDerWaalsContact C-N 3.28Å; E7-L9 PolarHBondContact O-N 3.21Å; L9-E11 VanDerWaalsContact C-N 3.26Å; L9-E11 PolarHBondContact O-N 3.4Å; L9-K12 WeakPolarHBondContact O-CB 3.42Å; L9-K12 PolarHBondContact O-N 2.95Å; L9-Y91 HydrophobicContact CB-CE1 4.13Å; L9-L150 HydrophobicContact CD1-CD2 3.77Å
10A97.6Very high96.1Very high0 Ų062.3 Ų62.30%031%0.31CS..Hα-helixtrans-62.9-30.817800000113V6 E7 K12 E13 Y91 E94V6-A10 PolarHBondContact O-N 3.43Å; E7-A10 WeakPolarHBondContact O-CB 3.45Å; E7-A10 PolarHBondContact O-N 3Å; E7-A10 VanDerWaalsContact O-N 3.12Å; A10-K12 PolarHBondContact O-N 3.45Å; A10-E13 VanDerWaalsContact O-CB 3.31Å; A10-E13 WeakPolarHBondContact O-CB 3.34Å; A10-E13 WeakPolarHBondContact O-CG 3.47Å; A10-E13 PolarHBondContact O-N 3.23Å; A10-Y91 HydrophobicContact CB-CD1 3.75Å; A10-Y91 HydrophobicContact CB-CD2 4.44Å; A10-Y91 HydrophobicContact CB-CG 3.68Å; A10-E94 HydrophobicContact CB-CB 3.45Å; A10-E94 VanDerWaalsContact CB-CB 3.45Å; A10-E94 HydrophobicContact CB-CG 3.89Å
11E97.5Very high96.1Very high48 Ų4861 Ų6122%0.22430%0.303CS..THydrogen-bonded Turntrans-62.4-14.1177.8-79.7-170.9169.200114.5E7 L9 E13 V46 W47 L98E7-E11 WeakPolarHBondContact O-CG 3.34Å; E7-E11 PolarHBondContact O-N 3.5Å; L9-E11 VanDerWaalsContact C-N 3.26Å; L9-E11 PolarHBondContact O-N 3.4Å; E11-E13 VanDerWaalsContact C-N 3.32Å; E11-V46 HydrophobicContact CG-CG1 4.47Å; E11-V46 WeakPolarHBondContact O-CB 3.25Å; E11-V46 PolarHBondContact O-N 3.41Å; E11-W47 HydrophobicContact CB-CB 4.1Å; E11-W47 HydrophobicContact CG-CB 4.47Å; E11-W47 PolarHBondContact O-N 3.23Å; E11-L98 HydrophobicContact CG-CD1 4.06Å
12K96.7Very high96.8Very high112 Ų11261.6 Ų61.649%0.48731%0.314SS..THydrogen-bonded Turntrans-79.8-15.7176-59.9176.4-175.2173.90113.1L9 A10L9-K12 WeakPolarHBondContact O-CB 3.42Å; L9-K12 PolarHBondContact O-N 2.95Å; A10-K12 PolarHBondContact O-N 3.45Å
13E97.2Very high97Very high66 Ų6661.3 Ų61.331%0.30831%0.312SS..SBendtrans-60.7151.9175.2-67.3-64.312600110.7A10 E11 P45 V46 Y91 L95A10-E13 VanDerWaalsContact O-CB 3.31Å; A10-E13 WeakPolarHBondContact O-CB 3.34Å; A10-E13 WeakPolarHBondContact O-CG 3.47Å; A10-E13 PolarHBondContact O-N 3.23Å; E11-E13 VanDerWaalsContact C-N 3.32Å; E13-P45 CarbonylContact O-C 3.41Å; E13-P45 WeakPolarHBondContact O-CA 3.41Å; E13-V46 HydrophobicContact CB-CG2 4.34Å; E13-V46 WeakPolarHBondContact O-CG2 3.5Å; E13-V46 PolarHBondContact O-N 3.33Å; E13-Y91 HydrophobicContact CG-CD2 3.7Å; E13-Y91 HydrophobicContact CG-CE2 4.37Å; E13-L95 HydrophobicContact CB-CD1 4.47Å; E13-L95 HydrophobicContact CB-CD2 4.14Å; E13-L95 HydrophobicContact CG-CD1 4.42Å
14F96.5Very high97.2Very high126 Ų12664.2 Ų64.255%0.55332%0.324SS*.EExtended strand (participates in β ladder)trans-97.1138.6-178.5-82.3-108.5000111.2L33 D43 V44 P45F14-L33 HydrophobicContact CE1-CD2 4.35Å; F14-D43 HydrophobicContact CD1-CB 4.25Å; F14-V44 WeakPolarHBondContact CA-O 3.48Å; F14-P45 HydrophobicContact CE1-CG 4.11Å; F14-P45 HydrophobicContact CE2-CG 4.23Å; F14-P45 HydrophobicContact CZ-CG 3.87Å
15V97.3Very high97.2Very high8 Ų866 Ų665%0.04832%0.322CS..EExtended strand (participates in β ladder)trans-132.9152.2174.5-67.80000110.4V44 V46 A49V15-V44 PolarHBondContact N-O 3.3Å; V15-V44 PolarHBondContact O-N 2.97Å; V15-V44 VanDerWaalsContact O-O 3.14Å; V15-V46 HydrophobicContact CB-CG2 4.37Å; V15-V46 HydrophobicContact CG1-CG2 3.58Å; V15-V46 HydrophobicContact CG2-CG2 3.92Å; V15-A49 HydrophobicContact CG2-CB 3.49Å; V15-A49 VanDerWaalsContact CG2-CB 3.49Å
16K97.8Very high97.1Very high98 Ų9864 Ų6443%0.42631%0.314SS..EExtended strand (participates in β ladder)trans-83.6132.9175.9-72.7176-178.4173.30110.4D43 L61K16-D43 WeakPolarHBondContact CE-OD1 3.32Å; K16-D43 WeakPolarHBondContact CG-OD1 3.36Å; K16-L61 HydrophobicContact CB-CB 4.16Å; K16-L61 HydrophobicContact CB-CD1 4.05Å; K16-L61 WeakPolarHBondContact O-CB 3.36Å; K16-L61 PolarHBondContact O-N 3.46Å
17I98.1Very high97Very high0 Ų071.9 Ų71.90%035%0.345CS..EExtended strand (participates in β ladder)trans-124.7156.5171.967.1164.9000110.7F36 S41 A42 V44 A49 L52 C58 R59 I60I17-F36 HydrophobicContact CD1-CE1 4.4Å; I17-S41 CarbonylContact O-C 3.53Å; I17-S41 VanDerWaalsContact O-CA 3.27Å; I17-S41 WeakPolarHBondContact O-CA 3.47Å; I17-A42 WeakPolarHBondContact CG1-O 3.49Å; I17-A42 PolarHBondContact N-O 3.29Å; I17-A42 PolarHBondContact O-N 3.39Å; I17-V44 HydrophobicContact CB-CG2 4.45Å; I17-V44 HydrophobicContact CD1-CG1 4.07Å; I17-V44 HydrophobicContact CD1-CG2 3.78Å; I17-V44 HydrophobicContact CG1-CG1 4.34Å; I17-V44 HydrophobicContact CG1-CG2 3.85Å; I17-V44 HydrophobicContact CG2-CG2 3.78Å; I17-A49 HydrophobicContact CG2-CB 3.73Å; I17-L52 HydrophobicContact CD1-CD1 3.68Å; I17-C58 HydrophobicContact CB-CB 4.14Å; I17-C58 HydrophobicContact CD1-CB 3.94Å; I17-R59 CarbonylContact C-O 3.45Å; I17-R59 WeakPolarHBondContact CA-O 3.4Å; I17-I60 HydrophobicContact CG2-CG1 4.12Å
18I98.2Very high97Very high54 Ų5472.9 Ų72.928%0.27735%0.351SS..EExtended strand (participates in β ladder)trans-112105165.9-58.5174.9000106.9C58 R59 L61I18-C58 CarbonylContact O-C 3.56Å; I18-C58 VanDerWaalsContact O-CA 3.26Å; I18-C58 WeakPolarHBondContact O-CA 3.4Å; I18-R59 HydrophobicContact CB-CB 4.47Å; I18-R59 PolarHBondContact N-O 3.5Å; I18-R59 PolarHBondContact O-N 2.89Å; I18-L61 HydrophobicContact CD1-CD1 4.2Å; I18-L61 HydrophobicContact CD1-CD2 3.96Å; I18-L61 HydrophobicContact CD1-CG 4.36Å; I18-L61 HydrophobicContact CG1-CD1 4.14Å; I18-L61 HydrophobicContact CG1-CD2 4.41Å; I18-L61 HydrophobicContact CG1-CG 4.31Å
19P98Very high96.9Very high2 Ų275.9 Ų75.91%0.01337%0.371CS..EExtended strand (participates in β ladder)trans-75.8157178.633.7-32000111.1F21 F36 N37 P38 G39 L40 K57P19-F21 HydrophobicContact CB-CD1 3.86Å; P19-F21 HydrophobicContact CB-CE1 3.6Å; P19-F21 HydrophobicContact CB-CZ 4.21Å; P19-F36 HydrophobicContact CB-CB 4.47Å; P19-F36 HydrophobicContact CG-CB 4.21Å; P19-F36 HydrophobicContact CG-CD1 4.29Å; P19-N37 WeakPolarHBondContact CG-O 3.46Å; P19-P38 WeakPolarHBondContact O-CA 3.46Å; P19-G39 PolarHBondContact O-N 3.07Å; P19-L40 WeakPolarHBondContact CD-O 3.49Å; P19-K57 WeakPolarHBondContact CA-O 3.44Å
20N97.3Very high96.6Very high102 Ų10277.7 Ų77.755%0.54540%0.401SS..SBendtrans-111.214.417365.97.6000112.9Q56 K57N20-Q56 PolarHBondContact ND2-O 2.85Å; N20-K57 PolarHBondContact N-O 2.94Å; N20-K57 VanDerWaalsContact OD1-C 3.27Å; N20-K57 WeakPolarHBondContact OD1-CA 3.37Å; N20-K57 PolarHBondContact OD1-O 2.96Å
21F97.4Very high96.4Very high36 Ų3679.3 Ų79.316%0.15842%0.418CS..SBendtrans-129.1158.5-178.667.1-84.4000110.6P19 L23 F36 P38 L52 K57P19-F21 HydrophobicContact CB-CD1 3.86Å; P19-F21 HydrophobicContact CB-CE1 3.6Å; P19-F21 HydrophobicContact CB-CZ 4.21Å; F21-L23 HydrophobicContact CD2-CB 3.82Å; F21-L23 HydrophobicContact CE2-CB 3.63Å; F21-L23 HydrophobicContact CE2-CD2 3.94Å; F21-L23 HydrophobicContact CE2-CG 4.47Å; F21-F36 HydrophobicContact CD2-CB 4.35Å; F21-F36 HydrophobicContact CE2-CB 3.73Å; F21-F36 HydrophobicContact CE2-CD2 4.08Å; F21-F36 AromaticContact CE2-CG 3.92Å; F21-F36 HydrophobicContact CE2-CG 3.92Å; F21-F36 HydrophobicContact CZ-CB 4.01Å; F21-F36 HydrophobicContact CZ-CD1 4.27Å; F21-F36 HydrophobicContact CZ-CD2 4.26Å; F21-F36 AromaticContact CZ-CG 3.91Å; F21-F36 HydrophobicContact CZ-CG 3.91Å; F21-P38 WeakPolarHBondContact O-CD 3.46Å; F21-L52 HydrophobicContact CE1-CD1 4.27Å; F21-L52 HydrophobicContact CE1-CD2 3.99Å; F21-L52 HydrophobicContact CZ-CD1 4.22Å; F21-L52 HydrophobicContact CZ-CD2 4.07Å; F21-K57 HydrophobicContact CD1-CB 3.88Å; F21-K57 HydrophobicContact CD1-CD 4.24Å; F21-K57 HydrophobicContact CD1-CG 4.45Å; F21-K57 WeakPolarHBondContact CD1-O 3.21Å; F21-K57 HydrophobicContact CE1-CB 4.01Å
22S97.3Very high96.3Very high88 Ų8881.6 Ų81.662%0.61543%0.431SS*.  trans-100.3130.5173.1-164.20000109.3F36S22-F36 CarbonylContact C-O 3.55Å; S22-F36 VanDerWaalsContact CA-O 3.29Å; S22-F36 WeakPolarHBondContact CA-O 3.45Å
23L96.6Very high96.2Very high76 Ų7676.8 Ų76.840%0.39841%0.411SS..BIsolated β-bridgetrans-154.8135.5173.5-174.864.1000109.9F21 I26 F36F21-L23 HydrophobicContact CD2-CB 3.82Å; F21-L23 HydrophobicContact CE2-CB 3.63Å; F21-L23 HydrophobicContact CE2-CD2 3.94Å; F21-L23 HydrophobicContact CE2-CG 4.47Å; L23-I26 HydrophobicContact CD2-CD1 3.63Å; L23-I26 HydrophobicContact CD2-CG1 4.05Å; L23-F36 HydrophobicContact CB-CB 4.21Å; L23-F36 HydrophobicContact CB-CD2 4.11Å; L23-F36 HydrophobicContact CD2-CD2 4.16Å; L23-F36 HydrophobicContact CG-CD2 4.44Å; L23-F36 PolarHBondContact N-O 2.96Å; L23-F36 PolarHBondContact O-N 3.28Å
24D95.9Very high95.9Very high132 Ų13275 Ų7571%0.70641%0.411SS*.  trans-67.8176.8175.7-65.6-36.4000111.9I26D24-I26 PolarHBondContact O-N 3.36Å
25K95.1Very high95.8Very high116 Ų11671.8 Ų71.850%0.50440%0.402SS..  trans-57.2135.3178.6-71.7-173.2178.4-173.90111.5Y27 L33K25-Y27 HydrophobicContact CB-CE2 4.32Å; K25-L33 WeakPolarHBondContact CA-O 3.26Å
26I95.1Very high95.9Very high58 Ų5871.5 Ų71.530%0.29740%0.4SS..EExtended strand (participates in β ladder)trans-105.4125.2172.8-47175.1000107.7L23 D24 L28 D32 L33 F36L23-I26 HydrophobicContact CD2-CD1 3.63Å; L23-I26 HydrophobicContact CD2-CG1 4.05Å; D24-I26 PolarHBondContact O-N 3.36Å; I26-L28 HydrophobicContact CG2-CD2 3.73Å; I26-L28 HydrophobicContact CG2-CG 4.29Å; I26-D32 CarbonylContact O-C 3.58Å; I26-D32 WeakPolarHBondContact O-CA 3.38Å; I26-L33 PolarHBondContact N-O 2.78Å; I26-L33 PolarHBondContact O-N 3.14Å; I26-F36 HydrophobicContact CD1-CE2 3.9Å; I26-F36 HydrophobicContact CG1-CE2 4.4Å
27Y96Very high95.8Very high164 Ų16470.1 Ų70.164%0.64340%0.398SS*.EExtended strand (participates in β ladder)trans-94.8108.3176.5-58.7-86.6000108.9K25 D32K25-Y27 HydrophobicContact CB-CE2 4.32Å; Y27-D32 HydrophobicContact CD1-CB 4.47Å; Y27-D32 WeakPolarHBondContact CD1-OD1 3.35Å; Y27-D32 WeakPolarHBondContact CD1-OD2 3.43Å; Y27-D32 WeakPolarHBondContact CE1-OD2 3.45Å
28L95.3Very high95.8Very high69 Ų6973.5 Ų73.536%0.36142%0.42SS..EExtended strand (participates in β ladder)trans-102.5161.1175.6-50.7176000110.1I26 G30 G31 L33 W47I26-L28 HydrophobicContact CG2-CD2 3.73Å; I26-L28 HydrophobicContact CG2-CG 4.29Å; L28-G30 PolarHBondContact O-N 3.11Å; L28-G31 WeakPolarHBondContact CA-O 3.38Å; L28-G31 WeakPolarHBondContact CB-O 3.25Å; L28-G31 PolarHBondContact N-O 3.22Å; L28-G31 PolarHBondContact O-N 3.21Å; L28-G31 VanDerWaalsContact O-N 3.11Å; L28-L33 HydrophobicContact CD1-CD1 3.53Å; L28-L33 HydrophobicContact CD1-CG 4.03Å; L28-W47 HydrophobicContact CD1-CH2 4.28Å; L28-W47 HydrophobicContact CD1-CZ2 4.19Å
29I96.6Very high95.7Very high191 Ų19173.5 Ų73.598%0.97943%0.433SS*.THydrogen-bonded Turntrans-57.9-35.1173.7-60164.6000110.9
30G91.5Very high95.6Very high85 Ų8578.4 Ų78.488%0.87646%0.458SS*.THydrogen-bonded Turntrans-89.59.8179.900000115.2L28L28-G30 PolarHBondContact O-N 3.11Å
31G92.8Very high95.6Very high34 Ų3477.5 Ų77.535%0.35146%0.46SS..EExtended strand (participates in β ladder)trans126176.7-179.800000113.9L28L28-G31 WeakPolarHBondContact CA-O 3.38Å; L28-G31 WeakPolarHBondContact CB-O 3.25Å; L28-G31 PolarHBondContact N-O 3.22Å; L28-G31 PolarHBondContact O-N 3.21Å; L28-G31 VanDerWaalsContact O-N 3.11Å
32D94.8Very high95.6Very high96 Ų9676.5 Ų76.551%0.51346%0.459SS..EExtended strand (participates in β ladder)trans-98.2140.3-175.1-61.7-11000111.2I26 Y27I26-D32 CarbonylContact O-C 3.58Å; I26-D32 WeakPolarHBondContact O-CA 3.38Å; Y27-D32 HydrophobicContact CD1-CB 4.47Å; Y27-D32 WeakPolarHBondContact CD1-OD1 3.35Å; Y27-D32 WeakPolarHBondContact CD1-OD2 3.43Å; Y27-D32 WeakPolarHBondContact CE1-OD2 3.45Å
33L95.2Very high95.6Very high11 Ų1176.7 Ų76.76%0.05845%0.453CS..EExtended strand (participates in β ladder)trans-121.2146177.2-60.9-179.2000111.6F14 K25 I26 L28 F36 P45 L48F14-L33 HydrophobicContact CE1-CD2 4.35Å; K25-L33 WeakPolarHBondContact CA-O 3.26Å; I26-L33 PolarHBondContact N-O 2.78Å; I26-L33 PolarHBondContact O-N 3.14Å; L28-L33 HydrophobicContact CD1-CD1 3.53Å; L28-L33 HydrophobicContact CD1-CG 4.03Å; L33-F36 HydrophobicContact CB-CE2 4.33Å; L33-F36 HydrophobicContact CB-CZ 4.07Å; L33-P45 HydrophobicContact CD2-CG 4.49Å; L33-L48 HydrophobicContact CD1-CD2 3.41Å; L33-L48 VanDerWaalsContact CD1-CD2 3.41Å
34G91.1Very high95.6Very high29 Ų2973.1 Ų73.130%0.29943%0.434SS..  trans83.9-166.6-179.900000114
35P95.3Very high95.7Very high58 Ų5867.4 Ų67.438%0.37740%0.404SS..  cis-66.2147.37.229.7-36.1000112.5
36F97.7Very high95.8Very high2 Ų261.9 Ų61.91%0.00938%0.38CS..BIsolated β-bridgetrans-92.8112174.1-61.4-75.9000109I17 P19 F21 S22 L23 I26 L33 A42 V44 L48I17-F36 HydrophobicContact CD1-CE1 4.4Å; P19-F36 HydrophobicContact CB-CB 4.47Å; P19-F36 HydrophobicContact CG-CB 4.21Å; P19-F36 HydrophobicContact CG-CD1 4.29Å; F21-F36 HydrophobicContact CD2-CB 4.35Å; F21-F36 HydrophobicContact CE2-CB 3.73Å; F21-F36 HydrophobicContact CE2-CD2 4.08Å; F21-F36 AromaticContact CE2-CG 3.92Å; F21-F36 HydrophobicContact CE2-CG 3.92Å; F21-F36 HydrophobicContact CZ-CB 4.01Å; F21-F36 HydrophobicContact CZ-CD1 4.27Å; F21-F36 HydrophobicContact CZ-CD2 4.26Å; F21-F36 AromaticContact CZ-CG 3.91Å; F21-F36 HydrophobicContact CZ-CG 3.91Å; S22-F36 CarbonylContact C-O 3.55Å; S22-F36 VanDerWaalsContact CA-O 3.29Å; S22-F36 WeakPolarHBondContact CA-O 3.45Å; L23-F36 HydrophobicContact CB-CB 4.21Å; L23-F36 HydrophobicContact CB-CD2 4.11Å; L23-F36 HydrophobicContact CD2-CD2 4.16Å; L23-F36 HydrophobicContact CG-CD2 4.44Å; L23-F36 PolarHBondContact N-O 2.96Å; L23-F36 PolarHBondContact O-N 3.28Å; I26-F36 HydrophobicContact CD1-CE2 3.9Å; I26-F36 HydrophobicContact CG1-CE2 4.4Å; L33-F36 HydrophobicContact CB-CE2 4.33Å; L33-F36 HydrophobicContact CB-CZ 4.07Å; F36-A42 HydrophobicContact CD1-CB 4.07Å; F36-A42 HydrophobicContact CE1-CB 4.13Å; F36-V44 HydrophobicContact CE1-CG1 3.49Å; F36-V44 VanDerWaalsContact CE1-CG1 3.49Å; F36-V44 HydrophobicContact CZ-CG1 3.75Å; F36-L48 HydrophobicContact CZ-CD2 4.36Å
37N96.9Very high95.9Very high69 Ų6964.4 Ų64.437%0.36939%0.386SS..  trans-111130.5176.6-68.9-50.9000109.2P19 G39 L40P19-N37 WeakPolarHBondContact CG-O 3.46Å; N37-G39 PolarHBondContact O-N 3.44Å; N37-L40 HydrophobicContact CB-CB 4.18Å; N37-L40 HydrophobicContact CB-CD1 3.81Å; N37-L40 HydrophobicContact CB-CG 4.18Å; N37-L40 PolarHBondContact O-N 3.5Å; N37-L40 VanDerWaalsContact O-N 3.12Å
38P97.6Very high96Very high72 Ų7257.7 Ų57.747%0.46836%0.361SS..THydrogen-bonded Turntrans-53.1129.8179.7-2531.9000112.3P19 F21 L40P19-P38 WeakPolarHBondContact O-CA 3.46Å; F21-P38 WeakPolarHBondContact O-CD 3.46Å; P38-L40 PolarHBondContact O-N 3.29Å
39G96Very high96.1Very high53 Ų5354.4 Ų54.455%0.54634%0.344SS..THydrogen-bonded Turntrans78.8-5.5176.900000115.7P19 N37P19-G39 PolarHBondContact O-N 3.07Å; N37-G39 PolarHBondContact O-N 3.44Å
40L97.2Very high96.2Very high106 Ų10645.8 Ų45.856%0.55530%0.299SS*.SBendtrans-100.1136.8174.9-61.8-175.2000110.9P19 N37 P38P19-L40 WeakPolarHBondContact CD-O 3.49Å; N37-L40 HydrophobicContact CB-CB 4.18Å; N37-L40 HydrophobicContact CB-CD1 3.81Å; N37-L40 HydrophobicContact CB-CG 4.18Å; N37-L40 PolarHBondContact O-N 3.5Å; N37-L40 VanDerWaalsContact O-N 3.12Å; P38-L40 PolarHBondContact O-N 3.29Å
41S96.8Very high96.5Very high82 Ų8244.4 Ų44.457%0.57327%0.272SS*.  trans-65139.7178.857.60000111.9I17I17-S41 CarbonylContact O-C 3.53Å; I17-S41 VanDerWaalsContact O-CA 3.27Å; I17-S41 WeakPolarHBondContact O-CA 3.47Å
42A96.7Very high96.7Very high16 Ų1643.5 Ų43.513%0.13226%0.259CS..EExtended strand (participates in β ladder)trans-135.5141172.500000110.5I17 F36I17-A42 WeakPolarHBondContact CG1-O 3.49Å; I17-A42 PolarHBondContact N-O 3.29Å; I17-A42 PolarHBondContact O-N 3.39Å; F36-A42 HydrophobicContact CD1-CB 4.07Å; F36-A42 HydrophobicContact CE1-CB 4.13Å
43D96.9Very high96.8Very high92 Ų9240.4 Ų40.449%0.49224%0.241SC..EExtended strand (participates in β ladder)trans-84127.8173.1-66.7-64000109.8F14 K16F14-D43 HydrophobicContact CD1-CB 4.25Å; K16-D43 WeakPolarHBondContact CE-OD1 3.32Å; K16-D43 WeakPolarHBondContact CG-OD1 3.36Å
44V97.3Very high96.9Very high0 Ų045.5 Ų45.50%027%0.265CS..EExtended strand (participates in β ladder)trans-140155.6177.3-63.60000110.8F14 V15 I17 F36 L48 A49F14-V44 WeakPolarHBondContact CA-O 3.48Å; V15-V44 PolarHBondContact N-O 3.3Å; V15-V44 PolarHBondContact O-N 2.97Å; V15-V44 VanDerWaalsContact O-O 3.14Å; I17-V44 HydrophobicContact CB-CG2 4.45Å; I17-V44 HydrophobicContact CD1-CG1 4.07Å; I17-V44 HydrophobicContact CD1-CG2 3.78Å; I17-V44 HydrophobicContact CG1-CG1 4.34Å; I17-V44 HydrophobicContact CG1-CG2 3.85Å; I17-V44 HydrophobicContact CG2-CG2 3.78Å; F36-V44 HydrophobicContact CE1-CG1 3.49Å; F36-V44 VanDerWaalsContact CE1-CG1 3.49Å; F36-V44 HydrophobicContact CZ-CG1 3.75Å; V44-L48 HydrophobicContact CB-CD2 4.2Å; V44-L48 HydrophobicContact CG1-CD2 4.09Å; V44-A49 HydrophobicContact CG2-CB 3.81Å
45P97.7Very high97.2Very high12 Ų1251.7 Ų51.78%0.07828%0.279CS..EExtended strand (participates in β ladder)trans-58.9148.7168.4-24.234.3000112.1E13 F14 L33 W47 L48 A49E13-P45 CarbonylContact O-C 3.41Å; E13-P45 WeakPolarHBondContact O-CA 3.41Å; F14-P45 HydrophobicContact CE1-CG 4.11Å; F14-P45 HydrophobicContact CE2-CG 4.23Å; F14-P45 HydrophobicContact CZ-CG 3.87Å; L33-P45 HydrophobicContact CD2-CG 4.49Å; P45-W47 VanDerWaalsContact C-N 3.34Å; P45-W47 HydrophobicContact CB-CG 4.3Å; P45-W47 HydrophobicContact CG-CZ2 4.46Å; P45-W47 PolarHBondContact O-N 3.1Å; P45-L48 PolarHBondContact O-N 3.43Å; P45-A49 PolarHBondContact O-N 3.12Å
46V98Very high97.3Very high0 Ų056.7 Ų56.70%030%0.297CS..Hα-helixtrans-56.9-43.5-179.1166.50000112.1E11 E13 V15 L48 A49 L50 L95 L98E11-V46 HydrophobicContact CG-CG1 4.47Å; E11-V46 WeakPolarHBondContact O-CB 3.25Å; E11-V46 PolarHBondContact O-N 3.41Å; E13-V46 HydrophobicContact CB-CG2 4.34Å; E13-V46 WeakPolarHBondContact O-CG2 3.5Å; E13-V46 PolarHBondContact O-N 3.33Å; V15-V46 HydrophobicContact CB-CG2 4.37Å; V15-V46 HydrophobicContact CG1-CG2 3.58Å; V15-V46 HydrophobicContact CG2-CG2 3.92Å; V46-L48 PolarHBondContact O-N 3.12Å; V46-L48 VanDerWaalsContact O-N 3.17Å; V46-A49 WeakPolarHBondContact O-CB 3.41Å; V46-A49 PolarHBondContact O-N 3.47Å; V46-A49 VanDerWaalsContact O-N 3.11Å; V46-L50 HydrophobicContact CG1-CD1 3.71Å; V46-L50 HydrophobicContact CG1-CG 4Å; V46-L50 VanDerWaalsContact O-CG 3.3Å; V46-L50 WeakPolarHBondContact O-CG 3.44Å; V46-L50 PolarHBondContact O-N 3.39Å; V46-L95 HydrophobicContact CG2-CD2 3.68Å; V46-L98 HydrophobicContact CG1-CD1 4.08Å
47W97.4Very high97.3Very high111 Ų11161 Ų6142%0.4232%0.316SS..Hα-helixtrans-55.2-37.5177.662.9-96.5000112.5E11 L28 P45 N51E11-W47 HydrophobicContact CB-CB 4.1Å; E11-W47 HydrophobicContact CG-CB 4.47Å; E11-W47 PolarHBondContact O-N 3.23Å; L28-W47 HydrophobicContact CD1-CH2 4.28Å; L28-W47 HydrophobicContact CD1-CZ2 4.19Å; P45-W47 VanDerWaalsContact C-N 3.34Å; P45-W47 HydrophobicContact CB-CG 4.3Å; P45-W47 HydrophobicContact CG-CZ2 4.46Å; P45-W47 PolarHBondContact O-N 3.1Å; W47-N51 WeakPolarHBondContact O-CB 3.48Å; W47-N51 PolarHBondContact O-N 3.15Å
48L97.5Very high97.3Very high24 Ų2458.2 Ų58.213%0.12630%0.302CS..Hα-helixtrans-77.2-42.2178.5-177.561.7000111L33 F36 V44 P45 V46 L50 N51 L52L33-L48 HydrophobicContact CD1-CD2 3.41Å; L33-L48 VanDerWaalsContact CD1-CD2 3.41Å; F36-L48 HydrophobicContact CZ-CD2 4.36Å; V44-L48 HydrophobicContact CB-CD2 4.2Å; V44-L48 HydrophobicContact CG1-CD2 4.09Å; P45-L48 PolarHBondContact O-N 3.43Å; V46-L48 PolarHBondContact O-N 3.12Å; V46-L48 VanDerWaalsContact O-N 3.17Å; L48-L50 VanDerWaalsContact C-N 3.31Å; L48-L50 PolarHBondContact O-N 2.95Å; L48-N51 PolarHBondContact O-N 3.43Å; L48-L52 HydrophobicContact CD1-CD1 4.23Å; L48-L52 HydrophobicContact CD1-CG 4.11Å; L48-L52 HydrophobicContact CG-CD1 3.96Å; L48-L52 HydrophobicContact CG-CG 4.29Å; L48-L52 WeakPolarHBondContact O-CB 3.22Å; L48-L52 WeakPolarHBondContact O-CG 3.45Å; L48-L52 PolarHBondContact O-N 3.14Å
49A98.1Very high97.3Very high0 Ų061.1 Ų61.10%030%0.303CS..Hα-helixtrans-55.3-48.117600000111.4V15 I17 V44 P45 V46 L52 K53 I60V15-A49 HydrophobicContact CG2-CB 3.49Å; V15-A49 VanDerWaalsContact CG2-CB 3.49Å; I17-A49 HydrophobicContact CG2-CB 3.73Å; V44-A49 HydrophobicContact CG2-CB 3.81Å; P45-A49 PolarHBondContact O-N 3.12Å; V46-A49 WeakPolarHBondContact O-CB 3.41Å; V46-A49 PolarHBondContact O-N 3.47Å; V46-A49 VanDerWaalsContact O-N 3.11Å; A49-L52 PolarHBondContact O-N 3.16Å; A49-K53 VanDerWaalsContact O-CB 3.31Å; A49-K53 WeakPolarHBondContact O-CB 3.41Å; A49-K53 PolarHBondContact O-N 3.41Å; A49-I60 HydrophobicContact CB-CD1 4.05Å; A49-I60 HydrophobicContact CB-CG1 4.46Å
50L97.8Very high97.4Very high9 Ų958.6 Ų58.65%0.04728%0.277CS..Hα-helixtrans-63.6-44178.5-65.1176.9000111.6V46 L48 L52 K53 Q54 I60 L98 H102V46-L50 HydrophobicContact CG1-CD1 3.71Å; V46-L50 HydrophobicContact CG1-CG 4Å; V46-L50 VanDerWaalsContact O-CG 3.3Å; V46-L50 WeakPolarHBondContact O-CG 3.44Å; V46-L50 PolarHBondContact O-N 3.39Å; L48-L50 VanDerWaalsContact C-N 3.31Å; L48-L50 PolarHBondContact O-N 2.95Å; L50-L52 PolarHBondContact O-N 3.04Å; L50-K53 PolarHBondContact O-N 2.66Å; L50-Q54 WeakPolarHBondContact O-CG 3.17Å; L50-Q54 PolarHBondContact O-N 2.95Å; L50-I60 HydrophobicContact CD2-CD1 4.33Å; L50-L98 HydrophobicContact CD1-CB 4.05Å; L50-L98 HydrophobicContact CD1-CD1 4.2Å; L50-L98 HydrophobicContact CD1-CD2 4Å; L50-L98 HydrophobicContact CD1-CG 4.31Å; L50-H102 HydrophobicContact CD2-CB 3.79Å
51N97.6Very high97.4Very high56 Ų5656 Ų5630%0.29926%0.264SS..Hα-helixtrans-61.1-43.8177.3-169.8-92.9000112.2W47 L48 R55W47-N51 WeakPolarHBondContact O-CB 3.48Å; W47-N51 PolarHBondContact O-N 3.15Å; L48-N51 PolarHBondContact O-N 3.43Å; N51-R55 WeakPolarHBondContact O-CG 3.48Å; N51-R55 PolarHBondContact O-N 2.71Å; N51-R55 VanDerWaalsContact OD1-CZ 3.31Å; N51-R55 PolarHBondContact OD1-NE 3.32Å
52L97.3Very high97.4Very high15 Ų1554.3 Ų54.38%0.07925%0.251CS..Hα-helixtrans-66.7-39.7176.9-70.2174.4000111.7I17 F21 L48 A49 L50 R55 Q56 K57 C58I17-L52 HydrophobicContact CD1-CD1 3.68Å; F21-L52 HydrophobicContact CE1-CD1 4.27Å; F21-L52 HydrophobicContact CE1-CD2 3.99Å; F21-L52 HydrophobicContact CZ-CD1 4.22Å; F21-L52 HydrophobicContact CZ-CD2 4.07Å; L48-L52 HydrophobicContact CD1-CD1 4.23Å; L48-L52 HydrophobicContact CD1-CG 4.11Å; L48-L52 HydrophobicContact CG-CD1 3.96Å; L48-L52 HydrophobicContact CG-CG 4.29Å; L48-L52 WeakPolarHBondContact O-CB 3.22Å; L48-L52 WeakPolarHBondContact O-CG 3.45Å; L48-L52 PolarHBondContact O-N 3.14Å; A49-L52 PolarHBondContact O-N 3.16Å; L50-L52 PolarHBondContact O-N 3.04Å; L52-R55 CarbonylContact O-C 3.54Å; L52-R55 PolarHBondContact O-N 3Å; L52-Q56 PolarHBondContact O-N 3.36Å; L52-K57 HydrophobicContact CB-CB 4.36Å; L52-K57 HydrophobicContact CD2-CB 4.08Å; L52-K57 HydrophobicContact CD2-CD 4.32Å; L52-K57 PolarHBondContact O-N 3.48Å; L52-C58 HydrophobicContact CB-CB 4.32Å; L52-C58 VanDerWaalsContact CB-SG 3.58Å
53K97.4Very high97.4Very high31 Ų3154.9 Ų54.914%0.13525%0.253CS..Hα-helixtrans-63.5-45.5177.7175.361.5-179.5-172.50112.1A49 L50 R55 Q56 I60 H102 A103 D105 N106A49-K53 VanDerWaalsContact O-CB 3.31Å; A49-K53 WeakPolarHBondContact O-CB 3.41Å; A49-K53 PolarHBondContact O-N 3.41Å; L50-K53 PolarHBondContact O-N 2.66Å; K53-R55 PolarHBondContact O-N 3.02Å; K53-Q56 WeakPolarHBondContact O-CA 3.32Å; K53-Q56 PolarHBondContact O-N 2.77Å; K53-I60 HydrophobicContact CB-CD1 3.8Å; K53-I60 HydrophobicContact CB-CG1 4.18Å; K53-I60 HydrophobicContact CG-CD1 4.1Å; K53-I60 HydrophobicContact CG-CG1 4.45Å; K53-H102 WeakPolarHBondContact CE-O 3.23Å; K53-H102 WeakPolarHBondContact CG-O 3.19Å; K53-A103 HydrophobicContact CD-CB 4.49Å; K53-A103 HydrophobicContact CG-CB 4.39Å; K53-D105 WeakPolarHBondContact CE-OD1 3.37Å; K53-D105 IonicContact NZ-OD1 2.8Å; K53-D105 PolarHBondContact NZ-OD1 3.04Å; K53-D105 IonicContact NZ-OD2 2.75Å; K53-D105 PolarHBondContact NZ-OD2 2.91Å; K53-N106 PolarHBondContact NZ-OD1 2.67Å
54Q96.6Very high97.3Very high118 Ų11857.8 Ų57.855%0.55126%0.264SS*.Hα-helixtrans-59.4-30.1175.4-72175.47.200112.4L50 Q56 H102L50-Q54 WeakPolarHBondContact O-CG 3.17Å; L50-Q54 PolarHBondContact O-N 2.95Å; Q54-Q56 VanDerWaalsContact C-N 3.31Å; Q54-H102 PolarHBondContact NE2-CE1 2.93Å; Q54-H102 VanDerWaalsContact NE2-CE1 3.34Å
55R97.2Very high97.2Very high160 Ų16059.3 Ų59.360%0.60427%0.27SS*.THydrogen-bonded Turntrans-88.57.3175.4-64.5173.8178.4-169.8-0.7113.8N51 L52 K53 K57N51-R55 WeakPolarHBondContact O-CG 3.48Å; N51-R55 PolarHBondContact O-N 2.71Å; N51-R55 VanDerWaalsContact OD1-CZ 3.31Å; N51-R55 PolarHBondContact OD1-NE 3.32Å; L52-R55 CarbonylContact O-C 3.54Å; L52-R55 PolarHBondContact O-N 3Å; K53-R55 PolarHBondContact O-N 3.02Å; R55-K57 HydrophobicContact CB-CG 4.18Å; R55-K57 PolarHBondContact O-N 3.16Å
56Q96.9Very high97.2Very high163 Ų16359.1 Ų59.176%0.76227%0.267SS*.THydrogen-bonded Turntrans56.331.9-177.8-55.1176.4-0.900113.4N20 L52 K53 Q54N20-Q56 PolarHBondContact ND2-O 2.85Å; L52-Q56 PolarHBondContact O-N 3.36Å; K53-Q56 WeakPolarHBondContact O-CA 3.32Å; K53-Q56 PolarHBondContact O-N 2.77Å; Q54-Q56 VanDerWaalsContact C-N 3.31Å
57K97.5Very high97.1Very high92 Ų9262.3 Ų62.340%0.429%0.285SS..  trans-99.2-5-177.4-73.1-163.2174.8-170.20114.8P19 N20 F21 L52 R55P19-K57 WeakPolarHBondContact CA-O 3.44Å; N20-K57 PolarHBondContact N-O 2.94Å; N20-K57 VanDerWaalsContact OD1-C 3.27Å; N20-K57 WeakPolarHBondContact OD1-CA 3.37Å; N20-K57 PolarHBondContact OD1-O 2.96Å; F21-K57 HydrophobicContact CD1-CB 3.88Å; F21-K57 HydrophobicContact CD1-CD 4.24Å; F21-K57 HydrophobicContact CD1-CG 4.45Å; F21-K57 WeakPolarHBondContact CD1-O 3.21Å; F21-K57 HydrophobicContact CE1-CB 4.01Å; L52-K57 HydrophobicContact CB-CB 4.36Å; L52-K57 HydrophobicContact CD2-CB 4.08Å; L52-K57 HydrophobicContact CD2-CD 4.32Å; L52-K57 PolarHBondContact O-N 3.48Å; R55-K57 HydrophobicContact CB-CG 4.18Å; R55-K57 PolarHBondContact O-N 3.16Å
58C97.6Very high97.1Very high10 Ų1057.3 Ų57.37%0.06827%0.267CS..EExtended strand (participates in β ladder)trans-152.5162.7176.669.50000111.8I17 I18 L52I17-C58 HydrophobicContact CB-CB 4.14Å; I17-C58 HydrophobicContact CD1-CB 3.94Å; I18-C58 CarbonylContact O-C 3.56Å; I18-C58 VanDerWaalsContact O-CA 3.26Å; I18-C58 WeakPolarHBondContact O-CA 3.4Å; L52-C58 HydrophobicContact CB-CB 4.32Å; L52-C58 VanDerWaalsContact CB-SG 3.58Å
59R97.8Very high97.1Very high134 Ų13462.6 Ų62.651%0.50629%0.29SS..EExtended strand (participates in β ladder)trans-103.7127.8160.8177.8177.4178.3151.71.7107.9I17 I18 N106I17-R59 CarbonylContact C-O 3.45Å; I17-R59 WeakPolarHBondContact CA-O 3.4Å; I18-R59 HydrophobicContact CB-CB 4.47Å; I18-R59 PolarHBondContact N-O 3.5Å; I18-R59 PolarHBondContact O-N 2.89Å; R59-N106 HydrophobicContact CG-CB 4.1Å
60I97.9Very high97.1Very high0 Ų066.7 Ų66.70%031%0.308CS..EExtended strand (participates in β ladder)trans-85.1139.2175.8-57.3-177000108.7I17 A49 L50 K53 L99 A103 N106I17-I60 HydrophobicContact CG2-CG1 4.12Å; A49-I60 HydrophobicContact CB-CD1 4.05Å; A49-I60 HydrophobicContact CB-CG1 4.46Å; L50-I60 HydrophobicContact CD2-CD1 4.33Å; K53-I60 HydrophobicContact CB-CD1 3.8Å; K53-I60 HydrophobicContact CB-CG1 4.18Å; K53-I60 HydrophobicContact CG-CD1 4.1Å; K53-I60 HydrophobicContact CG-CG1 4.45Å; I60-L99 HydrophobicContact CD1-CD2 4.41Å; I60-L99 HydrophobicContact CG2-CD2 3.93Å; I60-A103 HydrophobicContact CB-CB 4.07Å; I60-A103 HydrophobicContact CD1-CB 3.99Å; I60-A103 HydrophobicContact CG1-CB 4.32Å; I60-N106 PolarHBondContact N-OD1 3.07Å; I60-N106 VanDerWaalsContact O-CB 3.29Å; I60-N106 WeakPolarHBondContact O-CB 3.4Å
61L97.3Very high97.1Very high52 Ų5266.3 Ų66.327%0.27231%0.306SS..PPolyproline II helixtrans-96.6137.2172.3-61.7-179.7000109.8K16 I18K16-L61 HydrophobicContact CB-CB 4.16Å; K16-L61 HydrophobicContact CB-CD1 4.05Å; K16-L61 WeakPolarHBondContact O-CB 3.36Å; K16-L61 PolarHBondContact O-N 3.46Å; I18-L61 HydrophobicContact CD1-CD1 4.2Å; I18-L61 HydrophobicContact CD1-CD2 3.96Å; I18-L61 HydrophobicContact CD1-CG 4.36Å; I18-L61 HydrophobicContact CG1-CD1 4.14Å; I18-L61 HydrophobicContact CG1-CD2 4.41Å; I18-L61 HydrophobicContact CG1-CG 4.31Å
62P95.9Very high97.1Very high46 Ų4667.3 Ų67.330%0.29931%0.309SS..PPolyproline II helixtrans-62.4141.117525-31.8000110.6M66 I107P62-M66 HydrophobicContact CB-CB 4.39Å; P62-I107 HydrophobicContact CB-CG1 4.19Å; P62-I107 HydrophobicContact CB-CG2 4.33Å
63P96.7Very high97.2Very high27 Ų2773.3 Ų73.318%0.17534%0.337CS..PPolyproline II helixtrans-56.9153.2168.2-24.434.2000112W65 M66 L99P63-W65 HydrophobicContact CB-CD2 4.42Å; P63-W65 HydrophobicContact CB-CG 4.34Å; P63-W65 HydrophobicContact CB-CZ2 4.44Å; P63-W65 HydrophobicContact CG-CZ2 4.37Å; P63-W65 PolarHBondContact O-N 3.01Å; P63-W65 VanDerWaalsContact O-N 3.14Å; P63-M66 HydrophobicContact CB-CB 4.39Å; P63-M66 WeakPolarHBondContact O-CB 3.38Å; P63-M66 PolarHBondContact O-N 3.05Å; P63-L99 HydrophobicContact CG-CD1 3.89Å
64E95.3Very high97.2Very high153 Ų15374.5 Ų74.572%0.71534%0.343SS*.THydrogen-bonded Turntrans-63-24.1-175-65.8-176.8-175.400114.8K70E64-K70 WeakPolarHBondContact O-CD 3.39Å; E64-K70 PolarHBondContact O-NZ 3.01Å
65W96.3Very high97.2Very high33 Ų3371 Ų7113%0.12533%0.325CS..THydrogen-bonded Turntrans-83.1-17.5175.362.3-101.3000112.7P63 D67 L71 P88 L95 T96P63-W65 HydrophobicContact CB-CD2 4.42Å; P63-W65 HydrophobicContact CB-CG 4.34Å; P63-W65 HydrophobicContact CB-CZ2 4.44Å; P63-W65 HydrophobicContact CG-CZ2 4.37Å; P63-W65 PolarHBondContact O-N 3.01Å; P63-W65 VanDerWaalsContact O-N 3.14Å; W65-D67 PolarHBondContact O-N 3.49Å; W65-L71 HydrophobicContact CE3-CD2 4.29Å; W65-P88 HydrophobicContact CB-CB 3.71Å; W65-P88 HydrophobicContact CD2-CB 3.81Å; W65-P88 HydrophobicContact CD2-CG 4.31Å; W65-P88 HydrophobicContact CE3-CB 3.88Å; W65-P88 HydrophobicContact CE3-CG 3.96Å; W65-P88 HydrophobicContact CG-CB 3.74Å; W65-P88 HydrophobicContact CZ3-CG 4.42Å; W65-L95 HydrophobicContact CH2-CB 4.46Å; W65-L95 HydrophobicContact CZ2-CB 4.1Å; W65-L95 HydrophobicContact CZ2-CD1 4.09Å; W65-T96 WeakPolarHBondContact CH2-OG1 3.28Å
66M96.5Very high97.3Very high7 Ų767.7 Ų67.73%0.03432%0.317CS..  trans-83.957.3-179.6-169.5174.3-75.100109.9P62 P63 L99 L100 I107 I113P62-M66 HydrophobicContact CB-CB 4.39Å; P63-M66 HydrophobicContact CB-CB 4.39Å; P63-M66 WeakPolarHBondContact O-CB 3.38Å; P63-M66 PolarHBondContact O-N 3.05Å; M66-L99 HydrophobicContact CE-CD1 3.93Å; M66-L99 HydrophobicContact SD-CD1 4.32Å; M66-L100 HydrophobicContact SD-CD2 4.34Å; M66-I107 HydrophobicContact SD-CD1 4.02Å; M66-I107 HydrophobicContact SD-CG2 4.31Å; M66-I113 HydrophobicContact CG-CD1 4.1Å; M66-I113 HydrophobicContact CG-CG2 3.71Å; M66-I113 HydrophobicContact SD-CG2 4.42Å
67D96.6Very high97.3Very high67 Ų6763.9 Ų63.936%0.35830%0.301SS..  trans-125.8142.2178.1176.970.9000109.2W65 E69 K70 L71W65-D67 PolarHBondContact O-N 3.49Å; D67-E69 PolarHBondContact O-N 2.99Å; D67-E69 WeakPolarHBondContact OD2-CB 3.47Å; D67-E69 PolarHBondContact OD2-N 3.27Å; D67-E69 VanDerWaalsContact OD2-N 3.11Å; D67-K70 HydrophobicContact CB-CB 4.45Å; D67-K70 HydrophobicContact CB-CD 4.34Å; D67-K70 HydrophobicContact CB-CG 4.38Å; D67-K70 PolarHBondContact OD2-N 3.31Å; D67-L71 WeakPolarHBondContact O-CB 3.36Å; D67-L71 VanDerWaalsContact O-CG 3.24Å; D67-L71 WeakPolarHBondContact O-CG 3.49Å; D67-L71 PolarHBondContact O-N 3.45Å
68V97.8Very high97.3Very high7 Ų759.6 Ų59.64%0.04228%0.282CS..Hα-helixtrans-63.2-45.2-173170.30000111.5K70 L71 E72 K109 E112 I113 L116V68-K70 PolarHBondContact O-N 2.88Å; V68-L71 PolarHBondContact O-N 3.21Å; V68-E72 WeakPolarHBondContact O-CG 3.33Å; V68-E72 PolarHBondContact O-N 2.86Å; V68-K109 HydrophobicContact CB-CD 4.38Å; V68-K109 HydrophobicContact CG2-CB 3.85Å; V68-K109 HydrophobicContact CG2-CD 3.73Å; V68-K109 HydrophobicContact CG2-CG 4.48Å; V68-E112 HydrophobicContact CG1-CG 4.04Å; V68-E112 WeakPolarHBondContact CG1-OE1 3.34Å; V68-E112 HydrophobicContact CG2-CB 4.35Å; V68-E112 HydrophobicContact CG2-CG 4.14Å; V68-I113 HydrophobicContact CG2-CD1 4.42Å; V68-I113 HydrophobicContact CG2-CG1 3.74Å; V68-L116 HydrophobicContact CB-CD1 4.43Å; V68-L116 HydrophobicContact CG1-CD1 3.95Å
69E97.4Very high97.3Very high134 Ų13465 Ų6563%0.62630%0.301SS*.Hα-helixtrans-65.4-44.9-175.6-61.9175-176.600110.3D67 L71 E72 E73D67-E69 PolarHBondContact O-N 2.99Å; D67-E69 WeakPolarHBondContact OD2-CB 3.47Å; D67-E69 PolarHBondContact OD2-N 3.27Å; D67-E69 VanDerWaalsContact OD2-N 3.11Å; E69-L71 PolarHBondContact O-N 3.4Å; E69-E72 PolarHBondContact O-N 2.92Å; E69-E73 WeakPolarHBondContact O-CG 3.45Å; E69-E73 PolarHBondContact O-N 3.33Å
70K97.4Very high97.3Very high87 Ų8766.5 Ų66.538%0.37831%0.311SS..Hα-helixtrans-64.4-40176.8-64.4-176.7-174.2174.40112.8E64 D67 V68 E72 E73 M74E64-K70 WeakPolarHBondContact O-CD 3.39Å; E64-K70 PolarHBondContact O-NZ 3.01Å; D67-K70 HydrophobicContact CB-CB 4.45Å; D67-K70 HydrophobicContact CB-CD 4.34Å; D67-K70 HydrophobicContact CB-CG 4.38Å; D67-K70 PolarHBondContact OD2-N 3.31Å; V68-K70 PolarHBondContact O-N 2.88Å; K70-E72 VanDerWaalsContact C-N 3.34Å; K70-E73 PolarHBondContact O-N 3.41Å; K70-M74 VanDerWaalsContact O-CG 3.28Å; K70-M74 WeakPolarHBondContact O-CG 3.34Å; K70-M74 PolarHBondContact O-N 3.03Å
71L98.1Very high97.2Very high1 Ų170.7 Ų70.71%0.00533%0.331CS..Hα-helixtrans-69.1-34.1178.4-74.7170000111.9W65 D67 V68 E69 M74 R75 I113 L116 V117 I120W65-L71 HydrophobicContact CE3-CD2 4.29Å; D67-L71 WeakPolarHBondContact O-CB 3.36Å; D67-L71 VanDerWaalsContact O-CG 3.24Å; D67-L71 WeakPolarHBondContact O-CG 3.49Å; D67-L71 PolarHBondContact O-N 3.45Å; V68-L71 PolarHBondContact O-N 3.21Å; E69-L71 PolarHBondContact O-N 3.4Å; L71-M74 HydrophobicContact CD2-SD 4.43Å; L71-M74 PolarHBondContact O-N 3.45Å; L71-R75 WeakPolarHBondContact O-CB 3.34Å; L71-R75 PolarHBondContact O-N 3.38Å; L71-I113 HydrophobicContact CD1-CB 4.34Å; L71-I113 HydrophobicContact CD1-CG1 4.28Å; L71-I113 HydrophobicContact CD1-CG2 3.81Å; L71-L116 HydrophobicContact CB-CB 4.01Å; L71-L116 HydrophobicContact CB-CD1 3.88Å; L71-V117 HydrophobicContact CD1-CG2 4.09Å; L71-V117 HydrophobicContact CD2-CG2 4.1Å; L71-I120 HydrophobicContact CD2-CD1 4.05Å
72E98.1Very high97Very high77 Ų7775.8 Ų75.836%0.3636%0.359SS..Hα-helixtrans-62.4-47.6170.8-76.3-175.2153.600111.4V68 E69 K70 M74 R75 E76 L116V68-E72 WeakPolarHBondContact O-CG 3.33Å; V68-E72 PolarHBondContact O-N 2.86Å; E69-E72 PolarHBondContact O-N 2.92Å; K70-E72 VanDerWaalsContact C-N 3.34Å; E72-M74 VanDerWaalsContact C-N 3.33Å; E72-M74 PolarHBondContact O-N 3.31Å; E72-R75 WeakPolarHBondContact O-CB 3.28Å; E72-R75 PolarHBondContact O-N 3.41Å; E72-E76 WeakPolarHBondContact O-CG 3.41Å; E72-E76 PolarHBondContact O-N 2.98Å; E72-L116 HydrophobicContact CG-CD1 3.87Å; E72-L116 HydrophobicContact CG-CD2 3.74Å; E72-L116 HydrophobicContact CG-CG 4.49Å
73E97.9Very high96.9Very high141 Ų14176.9 Ų76.966%0.65937%0.371SS*.Hα-helixtrans-57.7-45.6175.7-70.9178.4179.700111.9E69 K70 R75 E76 L77E69-E73 WeakPolarHBondContact O-CG 3.45Å; E69-E73 PolarHBondContact O-N 3.33Å; K70-E73 PolarHBondContact O-N 3.41Å; E73-R75 PolarHBondContact O-N 2.7Å; E73-E76 PolarHBondContact O-N 3.1Å; E73-L77 WeakPolarHBondContact O-CB 3.43Å; E73-L77 PolarHBondContact O-N 3.29Å
74M97.6Very high96.9Very high55 Ų5576.7 Ų76.727%0.27137%0.368SS..Hα-helixtrans-62.6-41176.6-71.5175.9-17400112.1K70 L71 E72 L77 E78 P88 I120K70-M74 VanDerWaalsContact O-CG 3.28Å; K70-M74 WeakPolarHBondContact O-CG 3.34Å; K70-M74 PolarHBondContact O-N 3.03Å; L71-M74 HydrophobicContact CD2-SD 4.43Å; L71-M74 PolarHBondContact O-N 3.45Å; E72-M74 VanDerWaalsContact C-N 3.33Å; E72-M74 PolarHBondContact O-N 3.31Å; M74-L77 PolarHBondContact O-N 3.3Å; M74-E78 VanDerWaalsContact O-CB 3.28Å; M74-E78 WeakPolarHBondContact O-CB 3.43Å; M74-E78 PolarHBondContact O-N 3.38Å; M74-P88 HydrophobicContact CE-CB 3.96Å; M74-P88 HydrophobicContact SD-CB 3.77Å; M74-P88 HydrophobicContact SD-CG 4.01Å; M74-I120 HydrophobicContact CB-CD1 4.17Å
75R97.9Very high96.9Very high46 Ų4670.1 Ų70.117%0.17434%0.338CS..Hα-helixtrans-62.5-46.9177-174.2-16871.9-159.1-12.5111.4L71 E72 E73 E78 R79 D119 I120L71-R75 WeakPolarHBondContact O-CB 3.34Å; L71-R75 PolarHBondContact O-N 3.38Å; E72-R75 WeakPolarHBondContact O-CB 3.28Å; E72-R75 PolarHBondContact O-N 3.41Å; E73-R75 PolarHBondContact O-N 2.7Å; R75-E78 PolarHBondContact O-N 3.09Å; R75-R79 WeakPolarHBondContact O-CG 3.41Å; R75-R79 PolarHBondContact O-N 3.07Å; R75-D119 HydrophobicContact CG-CB 4.2Å; R75-D119 IonicContact NH1-OD2 3.88Å; R75-I120 HydrophobicContact CB-CD1 4.33Å; R75-I120 HydrophobicContact CB-CG1 3.84Å; R75-I120 HydrophobicContact CG-CG1 4.22Å
76E97.9Very high96.9Very high90 Ų9072.8 Ų72.842%0.42136%0.36SS..Hα-helixtrans-67.4-39.3179.9-64.8-48128.100111.7E72 E73 R79 K80E72-E76 WeakPolarHBondContact O-CG 3.41Å; E72-E76 PolarHBondContact O-N 2.98Å; E73-E76 PolarHBondContact O-N 3.1Å; E76-R79 PolarHBondContact O-N 3.49Å; E76-R79 IonicContact OE1-NH1 3.47Å; E76-R79 PolarHBondContact OE1-NH1 2.99Å; E76-K80 WeakPolarHBondContact O-CB 3.37Å; E76-K80 PolarHBondContact O-N 3.41Å
77L97.6Very high96.8Very high83 Ų8373.9 Ų73.944%0.43537%0.37SS..Hα-helixtrans-61.3-46.5173.8-173.966.7000111.4E73 M74 R79 K80 E81 T85E73-L77 WeakPolarHBondContact O-CB 3.43Å; E73-L77 PolarHBondContact O-N 3.29Å; M74-L77 PolarHBondContact O-N 3.3Å; L77-R79 VanDerWaalsContact C-N 3.28Å; L77-R79 PolarHBondContact O-N 3.07Å; L77-K80 PolarHBondContact O-N 3.47Å; L77-K80 VanDerWaalsContact O-N 3.15Å; L77-E81 HydrophobicContact CD1-CG 4.11Å; L77-E81 HydrophobicContact CG-CG 4.44Å; L77-E81 PolarHBondContact O-N 3.3Å; L77-T85 HydrophobicContact CD2-CG2 4.24Å; L77-T85 HydrophobicContact CG-CG2 3.93Å
78E97.9Very high96.6Very high1 Ų172.3 Ų72.31%0.00536%0.363CS..Hα-helixtrans-63.7-33.1178.5-173.763.6-134.900112.2M74 R75 T85 T123 R124 K127M74-E78 VanDerWaalsContact O-CB 3.28Å; M74-E78 WeakPolarHBondContact O-CB 3.43Å; M74-E78 PolarHBondContact O-N 3.38Å; R75-E78 PolarHBondContact O-N 3.09Å; E78-T85 HydrophobicContact CB-CG2 4.47Å; E78-T85 WeakPolarHBondContact OE2-CB 3.42Å; E78-T85 PolarHBondContact OE2-N 3.38Å; E78-T85 VanDerWaalsContact OE2-N 3.08Å; E78-T85 PolarHBondContact OE2-OG1 2.82Å; E78-T123 HydrophobicContact CG-CG2 4.04Å; E78-R124 VanDerWaalsContact CD-CG 3.42Å; E78-R124 HydrophobicContact CG-CG 3.65Å; E78-R124 WeakPolarHBondContact OE1-CG 3.41Å; E78-R124 IonicContact OE1-NH1 2.71Å; E78-R124 IonicContact OE2-CZ 2.75Å; E78-R124 IonicContact OE2-NH1 3.66Å; E78-R124 PolarHBondContact OE2-NH1 2.92Å; E78-K127 VanDerWaalsContact O-CE 3.26Å; E78-K127 WeakPolarHBondContact O-CE 3.48Å; E78-K127 PolarHBondContact O-NZ 2.92Å; E78-K127 WeakPolarHBondContact OE1-CD 3.49Å; E78-K127 WeakPolarHBondContact OE1-CE 3.46Å; E78-K127 IonicContact OE1-NZ 3.64Å; E78-K127 PolarHBondContact OE1-NZ 2.98Å
79R97Very high96.5Very high124 Ų12472.5 Ų72.547%0.46837%0.365SS..Hα-helixtrans-73.1-30.7174.4-75.7175.8174.7171.50.2113.5R75 E76 L77 D119 T123R75-R79 WeakPolarHBondContact O-CG 3.41Å; R75-R79 PolarHBondContact O-N 3.07Å; E76-R79 PolarHBondContact O-N 3.49Å; E76-R79 IonicContact OE1-NH1 3.47Å; E76-R79 PolarHBondContact OE1-NH1 2.99Å; L77-R79 VanDerWaalsContact C-N 3.28Å; L77-R79 PolarHBondContact O-N 3.07Å; R79-D119 IonicContact NH2-OD2 3.78Å; R79-T123 HydrophobicContact CG-CG2 4.23Å
80K97.4Very high96.5Very high165 Ų16569.9 Ų69.972%0.71736%0.36SS*.Hα-helixtrans-81.1-40.5-176-176.4-175.8174.6-168.90112.6E76 L77E76-K80 WeakPolarHBondContact O-CB 3.37Å; E76-K80 PolarHBondContact O-N 3.41Å; L77-K80 PolarHBondContact O-N 3.47Å; L77-K80 VanDerWaalsContact O-N 3.15Å
81E96.4Very high96.5Very high88 Ų8867.8 Ų67.841%0.41135%0.35SS..  trans-80.6140.7-178.5-65.9-60.6149.300111L77 T85 K127L77-E81 HydrophobicContact CD1-CG 4.11Å; L77-E81 HydrophobicContact CG-CG 4.44Å; L77-E81 PolarHBondContact O-N 3.3Å; E81-T85 HydrophobicContact CB-CG2 3.94Å; E81-T85 HydrophobicContact CG-CG2 4.04Å; E81-K127 VanDerWaalsContact O-CE 3.25Å; E81-K127 WeakPolarHBondContact O-CE 3.49Å; E81-K127 PolarHBondContact O-NZ 3.09Å
82D92.4Very high96.5Very high160 Ų16067.9 Ų67.986%0.85635%0.35SS*.SBendtrans-76.1-33.7174.5-69.3-37.1000111.5
83A93.8Very high96.5Very high68 Ų6866.1 Ų66.156%0.56234%0.342SS*.SBendtrans-80.7166.4176.300000112.1T85 K127A83-T85 PolarHBondContact O-N 2.89Å; A83-K127 PolarHBondContact O-NZ 3.31Å
84F96.7Very high96.5Very high24 Ų2459.6 Ų59.611%0.10531%0.312CS..PPolyproline II helixtrans-71.7123.9173.6-61.8-75.4000110.4K127 L128 D146 N147 L148F84-K127 HydrophobicContact CE1-CB 3.72Å; F84-K127 HydrophobicContact CE1-CD 4.46Å; F84-K127 HydrophobicContact CZ-CB 4.01Å; F84-L128 HydrophobicContact CE1-CB 4.38Å; F84-L128 HydrophobicContact CZ-CB 4.09Å; F84-L128 HydrophobicContact CZ-CD1 4.27Å; F84-D146 WeakPolarHBondContact CB-O 3.33Å; F84-N147 HydrophobicContact CB-CB 4.16Å; F84-N147 PolarHBondContact O-ND2 3.35Å; F84-L148 HydrophobicContact CD1-CD2 3.64Å; F84-L148 HydrophobicContact CD2-CD2 4.01Å; F84-L148 HydrophobicContact CD2-CG 4.24Å; F84-L148 HydrophobicContact CE1-CD2 3.52Å; F84-L148 HydrophobicContact CE2-CD2 3.92Å; F84-L148 HydrophobicContact CE2-CG 4.27Å; F84-L148 HydrophobicContact CG-CD2 3.89Å; F84-L148 HydrophobicContact CG-CG 4.45Å; F84-L148 HydrophobicContact CZ-CD2 3.68Å; F84-L148 HydrophobicContact CZ-CG 4.48Å
85T96.9Very high96.5Very high15 Ų1557.2 Ų57.29%0.09230%0.3CS..PPolyproline II helixtrans-79.8159174.674.40000110.3L77 E78 E81 A83 A87 R124 N147L77-T85 HydrophobicContact CD2-CG2 4.24Å; L77-T85 HydrophobicContact CG-CG2 3.93Å; E78-T85 HydrophobicContact CB-CG2 4.47Å; E78-T85 WeakPolarHBondContact OE2-CB 3.42Å; E78-T85 PolarHBondContact OE2-N 3.38Å; E78-T85 VanDerWaalsContact OE2-N 3.08Å; E78-T85 PolarHBondContact OE2-OG1 2.82Å; E81-T85 HydrophobicContact CB-CG2 3.94Å; E81-T85 HydrophobicContact CG-CG2 4.04Å; A83-T85 PolarHBondContact O-N 2.89Å; T85-A87 PolarHBondContact O-N 3.34Å; T85-R124 PolarHBondContact O-NH1 2.66Å; T85-N147 WeakPolarHBondContact O-CB 3.35Å
86P96.4Very high96.5Very high89 Ų8955.4 Ų55.458%0.57829%0.294SS*.PPolyproline II helixtrans-59.5126.3175.6-24.735.4000112.1
87A93.8Very high96.5Very high29 Ų2956.2 Ų56.224%0.2430%0.296CS..PPolyproline II helixtrans-68.9150.2174.700000111.3T85 S89 Y92 T149T85-A87 PolarHBondContact O-N 3.34Å; A87-S89 PolarHBondContact O-N 3.19Å; A87-Y92 HydrophobicContact CB-CD1 4.02Å; A87-Y92 HydrophobicContact CB-CE1 4.19Å; A87-T149 HydrophobicContact CB-CG2 3.7Å
88P93.1Very high96.5Very high35 Ų3552.6 Ų52.623%0.22728%0.277CS..SBendtrans-63.3-28.2179.921.7-31.5000113.7W65 M74 Y92W65-P88 HydrophobicContact CB-CB 3.71Å; W65-P88 HydrophobicContact CD2-CB 3.81Å; W65-P88 HydrophobicContact CD2-CG 4.31Å; W65-P88 HydrophobicContact CE3-CB 3.88Å; W65-P88 HydrophobicContact CE3-CG 3.96Å; W65-P88 HydrophobicContact CG-CB 3.74Å; W65-P88 HydrophobicContact CZ3-CG 4.42Å; M74-P88 HydrophobicContact CE-CB 3.96Å; M74-P88 HydrophobicContact SD-CB 3.77Å; M74-P88 HydrophobicContact SD-CG 4.01Å; P88-Y92 HydrophobicContact CG-CG 4.18Å
89S95.7Very high96.5Very high10 Ų1052.6 Ų52.67%0.0728%0.277CS..SBendtrans-152.8150.1174.3167.40000108.4A87 Y91 Y92A87-S89 PolarHBondContact O-N 3.19Å; S89-Y91 PolarHBondContact O-N 3.08Å; S89-Y91 VanDerWaalsContact O-N 3.09Å; S89-Y91 PolarHBondContact OG-N 3.16Å; S89-Y92 PolarHBondContact O-N 3.46Å
90P96.5Very high96.5Very high80 Ų8046.8 Ų46.852%0.51926%0.255SS..THydrogen-bonded Turntrans-56.6-23.1173.7-24.434.4000114.1T149P90-T149 WeakPolarHBondContact O-CB 3.35Å
91Y97.7Very high96.5Very high43 Ų4343.4 Ų43.417%0.16925%0.245CC..THydrogen-bonded Turntrans-125.534.1-176.7-55.9-76.5000112.6V6 L9 A10 E13 S89 M93 E94 L95 L150V6-Y91 HydrophobicContact CG1-CD1 4.49Å; V6-Y91 HydrophobicContact CG1-CE1 4.48Å; L9-Y91 HydrophobicContact CB-CE1 4.13Å; A10-Y91 HydrophobicContact CB-CD1 3.75Å; A10-Y91 HydrophobicContact CB-CD2 4.44Å; A10-Y91 HydrophobicContact CB-CG 3.68Å; E13-Y91 HydrophobicContact CG-CD2 3.7Å; E13-Y91 HydrophobicContact CG-CE2 4.37Å; S89-Y91 PolarHBondContact O-N 3.08Å; S89-Y91 VanDerWaalsContact O-N 3.09Å; S89-Y91 PolarHBondContact OG-N 3.16Å; Y91-M93 PolarHBondContact O-N 2.93Å; Y91-M93 VanDerWaalsContact O-N 3.16Å; Y91-E94 WeakPolarHBondContact CA-OE2 3.25Å; Y91-E94 PolarHBondContact O-N 3.05Å; Y91-E94 VanDerWaalsContact O-OE2 3.1Å; Y91-L95 WeakPolarHBondContact O-CB 3.23Å; Y91-L95 VanDerWaalsContact O-CG 3.25Å; Y91-L95 WeakPolarHBondContact O-CG 3.32Å; Y91-L95 PolarHBondContact O-N 3.32Å; Y91-L150 HydrophobicContact CE1-CD2 4.26Å
92Y97.8Very high96.5Very high2 Ų242.8 Ų42.81%0.00824%0.242CC..Hα-helixtrans-57.8-31.9-173.375.5-84.7000113.7A87 P88 S89 T96 V117 I120 T149 E152A87-Y92 HydrophobicContact CB-CD1 4.02Å; A87-Y92 HydrophobicContact CB-CE1 4.19Å; P88-Y92 HydrophobicContact CG-CG 4.18Å; S89-Y92 PolarHBondContact O-N 3.46Å; Y92-T96 VanDerWaalsContact O-CB 3.26Å; Y92-T96 WeakPolarHBondContact O-CB 3.49Å; Y92-T96 PolarHBondContact O-N 3.46Å; Y92-T96 PolarHBondContact O-OG1 3.48Å; Y92-V117 HydrophobicContact CD2-CG1 3.92Å; Y92-V117 HydrophobicContact CE2-CG1 4.03Å; Y92-I120 HydrophobicContact CE2-CG2 4.45Å; Y92-T149 HydrophobicContact CD1-CG2 3.89Å; Y92-T149 HydrophobicContact CE1-CG2 3.65Å; Y92-E152 PolarHBondContact OH-OE1 2.9Å
93M97.8Very high96.7Very high41 Ų4135.1 Ų35.120%0.20220%0.201CC..Hα-helixtrans-71.4-47.8-179.2-75.6-61.5-68.500112.2Y91 T96 K97 V117 W121Y91-M93 PolarHBondContact O-N 2.93Å; Y91-M93 VanDerWaalsContact O-N 3.16Å; M93-T96 PolarHBondContact O-N 3.06Å; M93-K97 WeakPolarHBondContact O-CB 3.48Å; M93-K97 PolarHBondContact O-N 3.48Å; M93-V117 HydrophobicContact SD-CG1 3.58Å; M93-V117 VanDerWaalsContact SD-CG1 3.58Å; M93-W121 HydrophobicContact CE-CB 3.99Å; M93-W121 HydrophobicContact CE-CD2 3.64Å; M93-W121 HydrophobicContact CE-CE3 3.81Å; M93-W121 HydrophobicContact CE-CG 3.71Å; M93-W121 HydrophobicContact CG-CD2 4.15Å; M93-W121 HydrophobicContact CG-CE3 3.32Å; M93-W121 HydrophobicContact CG-CZ3 3.69Å; M93-W121 HydrophobicContact SD-CB 3.74Å; M93-W121 HydrophobicContact SD-CD2 3.94Å; M93-W121 HydrophobicContact SD-CE3 3.67Å; M93-W121 HydrophobicContact SD-CG 3.99Å
94E97.9Very high96.8Very high4 Ų434.6 Ų34.62%0.01919%0.193CC..Hα-helixtrans-64.4-47.6179.2-58.289153.300109.4V6 A10 Y91 T96 K97 L98 M151V6-E94 WeakPolarHBondContact CG1-OE1 3.25Å; A10-E94 HydrophobicContact CB-CB 3.45Å; A10-E94 VanDerWaalsContact CB-CB 3.45Å; A10-E94 HydrophobicContact CB-CG 3.89Å; Y91-E94 WeakPolarHBondContact CA-OE2 3.25Å; Y91-E94 PolarHBondContact O-N 3.05Å; Y91-E94 VanDerWaalsContact O-OE2 3.1Å; E94-T96 PolarHBondContact O-N 3.3Å; E94-K97 PolarHBondContact O-N 3.19Å; E94-L98 WeakPolarHBondContact O-CB 3.49Å; E94-L98 VanDerWaalsContact O-CG 3.27Å; E94-L98 WeakPolarHBondContact O-CG 3.3Å; E94-L98 PolarHBondContact O-N 2.97Å; E94-M151 HydrophobicContact CG-CE 3.7Å; E94-M151 WeakPolarHBondContact OE1-CB 3.41Å; E94-M151 VanDerWaalsContact OE1-CE 3.29Å; E94-M151 WeakPolarHBondContact OE1-CE 3.27Å
95L98.1Very high96.7Very high5 Ų538.7 Ų38.73%0.02622%0.216CC..Hα-helixtrans-60.1-45.6176.5-67.8178.5000111.6E13 V46 W65 Y91 K97 L98 L99E13-L95 HydrophobicContact CB-CD1 4.47Å; E13-L95 HydrophobicContact CB-CD2 4.14Å; E13-L95 HydrophobicContact CG-CD1 4.42Å; V46-L95 HydrophobicContact CG2-CD2 3.68Å; W65-L95 HydrophobicContact CH2-CB 4.46Å; W65-L95 HydrophobicContact CZ2-CB 4.1Å; W65-L95 HydrophobicContact CZ2-CD1 4.09Å; Y91-L95 WeakPolarHBondContact O-CB 3.23Å; Y91-L95 VanDerWaalsContact O-CG 3.25Å; Y91-L95 WeakPolarHBondContact O-CG 3.32Å; Y91-L95 PolarHBondContact O-N 3.32Å; L95-K97 PolarHBondContact O-N 2.9Å; L95-L98 PolarHBondContact O-N 2.92Å; L95-L99 WeakPolarHBondContact O-CB 3.33Å; L95-L99 WeakPolarHBondContact O-CG 3.24Å; L95-L99 PolarHBondContact O-N 3.48Å
96T98.1Very high96.6Very high8 Ų838.7 Ų38.75%0.04922%0.216CC..Hα-helixtrans-61.4-46.5177-58.40000111.2W65 Y92 M93 E94 L100 V117W65-T96 WeakPolarHBondContact CH2-OG1 3.28Å; Y92-T96 VanDerWaalsContact O-CB 3.26Å; Y92-T96 WeakPolarHBondContact O-CB 3.49Å; Y92-T96 PolarHBondContact O-N 3.46Å; Y92-T96 PolarHBondContact O-OG1 3.48Å; M93-T96 PolarHBondContact O-N 3.06Å; E94-T96 PolarHBondContact O-N 3.3Å; T96-L100 HydrophobicContact CG2-CD1 3.51Å; T96-L100 HydrophobicContact CG2-CG 4.05Å; T96-L100 VanDerWaalsContact O-CB 3.23Å; T96-L100 WeakPolarHBondContact O-CB 3.39Å; T96-L100 WeakPolarHBondContact O-CG 3.43Å; T96-L100 PolarHBondContact O-N 3.47Å; T96-V117 HydrophobicContact CG2-CB 4.09Å; T96-V117 HydrophobicContact CG2-CG1 4Å; T96-V117 HydrophobicContact CG2-CG2 3.98Å
97K97.5Very high96.5Very high106 Ų10634.8 Ų34.846%0.46119%0.19SC..Hα-helixtrans-58.8-54.6177.3179.1-169.4170.9-154.60111E7 M93 E94 L95 N101E7-K97 IonicContact OE2-NZ 2.7Å; E7-K97 PolarHBondContact OE2-NZ 3.42Å; M93-K97 WeakPolarHBondContact O-CB 3.48Å; M93-K97 PolarHBondContact O-N 3.48Å; E94-K97 PolarHBondContact O-N 3.19Å; L95-K97 PolarHBondContact O-N 2.9Å; K97-N101 WeakPolarHBondContact O-CB 3.24Å; K97-N101 PolarHBondContact O-N 2.55Å; K97-N101 PolarHBondContact O-ND2 3.08Å; K97-N101 VanDerWaalsContact O-ND2 3.15Å
98L97.8Very high96.6Very high8 Ų837.8 Ų37.84%0.04221%0.207CC..Hα-helixtrans-62.4-48.9-175.9-71.1173.5000111.8E7 E11 V46 L50 E94 L95 N101 H102E7-L98 HydrophobicContact CG-CD1 4.13Å; E7-L98 HydrophobicContact CG-CD2 4.24Å; E7-L98 HydrophobicContact CG-CG 4.43Å; E11-L98 HydrophobicContact CG-CD1 4.06Å; V46-L98 HydrophobicContact CG1-CD1 4.08Å; L50-L98 HydrophobicContact CD1-CB 4.05Å; L50-L98 HydrophobicContact CD1-CD1 4.2Å; L50-L98 HydrophobicContact CD1-CD2 4Å; L50-L98 HydrophobicContact CD1-CG 4.31Å; E94-L98 WeakPolarHBondContact O-CB 3.49Å; E94-L98 VanDerWaalsContact O-CG 3.27Å; E94-L98 WeakPolarHBondContact O-CG 3.3Å; E94-L98 PolarHBondContact O-N 2.97Å; L95-L98 PolarHBondContact O-N 2.92Å; L98-N101 PolarHBondContact O-N 2.78Å; L98-H102 PolarHBondContact O-CD2 3.45Å; L98-H102 PolarHBondContact O-N 2.76Å
99L97.7Very high96.7Very high0 Ų042.1 Ų42.10%022%0.222CC..Hα-helixtrans-68.8-44.7-176.7-66.4177.6000112.1I60 P63 M66 L95 N101 H102 A103 I107I60-L99 HydrophobicContact CD1-CD2 4.41Å; I60-L99 HydrophobicContact CG2-CD2 3.93Å; P63-L99 HydrophobicContact CG-CD1 3.89Å; M66-L99 HydrophobicContact CE-CD1 3.93Å; M66-L99 HydrophobicContact SD-CD1 4.32Å; L95-L99 WeakPolarHBondContact O-CB 3.33Å; L95-L99 WeakPolarHBondContact O-CG 3.24Å; L95-L99 PolarHBondContact O-N 3.48Å; L99-N101 VanDerWaalsContact C-N 3.3Å; L99-N101 PolarHBondContact O-N 2.93Å; L99-H102 PolarHBondContact O-N 3.38Å; L99-A103 CarbonylContact O-C 3.56Å; L99-A103 VanDerWaalsContact O-CA 3.31Å; L99-A103 WeakPolarHBondContact O-CA 3.26Å; L99-A103 WeakPolarHBondContact O-CB 3.38Å; L99-A103 PolarHBondContact O-N 2.9Å; L99-I107 HydrophobicContact CB-CD1 3.95Å
100L97.3Very high96.8Very high2 Ų242.2 Ų42.21%0.0122%0.224CC..Hα-helixtrans-72.9-23.3-179.8-60.2-173.8000112.8M66 T96 S104 I107 A110 I113 R114M66-L100 HydrophobicContact SD-CD2 4.34Å; T96-L100 HydrophobicContact CG2-CD1 3.51Å; T96-L100 HydrophobicContact CG2-CG 4.05Å; T96-L100 VanDerWaalsContact O-CB 3.23Å; T96-L100 WeakPolarHBondContact O-CB 3.39Å; T96-L100 WeakPolarHBondContact O-CG 3.43Å; T96-L100 PolarHBondContact O-N 3.47Å; L100-S104 VanDerWaalsContact O-CB 3.24Å; L100-S104 WeakPolarHBondContact O-CB 3.21Å; L100-S104 PolarHBondContact O-OG 3.46Å; L100-I107 HydrophobicContact CD2-CB 4.28Å; L100-I107 HydrophobicContact CD2-CD1 3.8Å; L100-I107 HydrophobicContact CD2-CG2 3.96Å; L100-A110 WeakPolarHBondContact CD1-O 3.29Å; L100-A110 HydrophobicContact CD2-CB 3.92Å; L100-I113 HydrophobicContact CD1-CG2 4.23Å; L100-R114 HydrophobicContact CD1-CB 3.75Å; L100-R114 HydrophobicContact CD1-CG 4.4Å
101N96.8Very high96.9Very high94 Ų9443.8 Ų43.850%0.50323%0.228SC..Hα-helixtrans-77-35.5175-73.1-12.2000112.6K97 L98 L99K97-N101 WeakPolarHBondContact O-CB 3.24Å; K97-N101 PolarHBondContact O-N 2.55Å; K97-N101 PolarHBondContact O-ND2 3.08Å; K97-N101 VanDerWaalsContact O-ND2 3.15Å; L98-N101 PolarHBondContact O-N 2.78Å; L99-N101 VanDerWaalsContact C-N 3.3Å; L99-N101 PolarHBondContact O-N 2.93Å
102H96.5Very high96.9Very high75 Ų7545.4 Ų45.435%0.34724%0.237SC..Hα-helixtrans-106.6-19.4-173.7-69.5-68.6000115L50 K53 Q54 L98 L99L50-H102 HydrophobicContact CD2-CB 3.79Å; K53-H102 WeakPolarHBondContact CE-O 3.23Å; K53-H102 WeakPolarHBondContact CG-O 3.19Å; Q54-H102 PolarHBondContact NE2-CE1 2.93Å; Q54-H102 VanDerWaalsContact NE2-CE1 3.34Å; L98-H102 PolarHBondContact O-CD2 3.45Å; L98-H102 PolarHBondContact O-N 2.76Å; L99-H102 PolarHBondContact O-N 3.38Å
103A95.9Very high96.9Very high0 Ų045.5 Ų45.50%024%0.237CC..Hα-helixtrans-140.827-172.100000113.6K53 I60 L99 D105 N106 I107K53-A103 HydrophobicContact CD-CB 4.49Å; K53-A103 HydrophobicContact CG-CB 4.39Å; I60-A103 HydrophobicContact CB-CB 4.07Å; I60-A103 HydrophobicContact CD1-CB 3.99Å; I60-A103 HydrophobicContact CG1-CB 4.32Å; L99-A103 CarbonylContact O-C 3.56Å; L99-A103 VanDerWaalsContact O-CA 3.31Å; L99-A103 WeakPolarHBondContact O-CA 3.26Å; L99-A103 WeakPolarHBondContact O-CB 3.38Å; L99-A103 PolarHBondContact O-N 2.9Å; A103-D105 WeakPolarHBondContact CA-OD1 3.41Å; A103-D105 PolarHBondContact O-N 2.94Å; A103-N106 PolarHBondContact O-N 3.1Å; A103-I107 WeakPolarHBondContact O-CG1 3.18Å; A103-I107 PolarHBondContact O-N 3.06Å
104S96.1Very high96.9Very high56 Ų5648.7 Ų48.739%0.39225%0.247SC..G310 helixtrans-56.7-30.3173.3450000113L100 N106 I107L100-S104 VanDerWaalsContact O-CB 3.24Å; L100-S104 WeakPolarHBondContact O-CB 3.21Å; L100-S104 PolarHBondContact O-OG 3.46Å; S104-N106 PolarHBondContact O-N 3.37Å; S104-I107 PolarHBondContact O-N 3.18Å; S104-I107 VanDerWaalsContact O-O 3.11Å
105D95.6Very high96.9Very high110 Ų11052.3 Ų52.359%0.58827%0.27SS*.G310 helixtrans-64.3-15.5173.868.2-57.6000113.6K53 A103K53-D105 WeakPolarHBondContact CE-OD1 3.37Å; K53-D105 IonicContact NZ-OD1 2.8Å; K53-D105 PolarHBondContact NZ-OD1 3.04Å; K53-D105 IonicContact NZ-OD2 2.75Å; K53-D105 PolarHBondContact NZ-OD2 2.91Å; A103-D105 WeakPolarHBondContact CA-OD1 3.41Å; A103-D105 PolarHBondContact O-N 2.94Å
106N93.8Very high97Very high16 Ų1652.3 Ų52.39%0.08627%0.27CS..G310 helixtrans-105.5-9179.7-55.6158.8000113.1K53 R59 I60 A103 S104K53-N106 PolarHBondContact NZ-OD1 2.67Å; R59-N106 HydrophobicContact CG-CB 4.1Å; I60-N106 PolarHBondContact N-OD1 3.07Å; I60-N106 VanDerWaalsContact O-CB 3.29Å; I60-N106 WeakPolarHBondContact O-CB 3.4Å; A103-N106 PolarHBondContact O-N 3.1Å; S104-N106 PolarHBondContact O-N 3.37Å
107I95.3Very high97Very high7 Ų752.1 Ų52.14%0.03627%0.269CS..SBendtrans-112.5113.2-172.6-60.6169.9000108.3P62 M66 L99 L100 A103 S104 I113P62-I107 HydrophobicContact CB-CG1 4.19Å; P62-I107 HydrophobicContact CB-CG2 4.33Å; M66-I107 HydrophobicContact SD-CD1 4.02Å; M66-I107 HydrophobicContact SD-CG2 4.31Å; L99-I107 HydrophobicContact CB-CD1 3.95Å; L100-I107 HydrophobicContact CD2-CB 4.28Å; L100-I107 HydrophobicContact CD2-CD1 3.8Å; L100-I107 HydrophobicContact CD2-CG2 3.96Å; A103-I107 WeakPolarHBondContact O-CG1 3.18Å; A103-I107 PolarHBondContact O-N 3.06Å; S104-I107 PolarHBondContact O-N 3.18Å; S104-I107 VanDerWaalsContact O-O 3.11Å; I107-I113 HydrophobicContact CG2-CD1 3.75Å
108P94.8Very high97Very high92 Ų9251.6 Ų51.660%0.59727%0.266SS*.THydrogen-bonded Turntrans-64.9145178.729-33.7000110.2A110 I113P108-A110 PolarHBondContact O-N 2.95Å; P108-I113 WeakPolarHBondContact O-CD1 3.27Å
109K96.8Very high97Very high126 Ų12653.4 Ų53.455%0.54828%0.276SS..THydrogen-bonded Turntrans54.836.3176.9-55.1176.1170.3-168.90113.9V68 D111 E112 I113V68-K109 HydrophobicContact CB-CD 4.38Å; V68-K109 HydrophobicContact CG2-CB 3.85Å; V68-K109 HydrophobicContact CG2-CD 3.73Å; V68-K109 HydrophobicContact CG2-CG 4.48Å; K109-D111 VanDerWaalsContact C-N 3.29Å; K109-D111 PolarHBondContact O-N 3.31Å; K109-E112 HydrophobicContact CB-CB 4.22Å; K109-E112 WeakPolarHBondContact CD-OE2 3.36Å; K109-E112 WeakPolarHBondContact O-CB 3.01Å; K109-E112 PolarHBondContact O-N 3.11Å; K109-I113 PolarHBondContact O-N 2.75Å
110A97.3Very high97.1Very high12 Ų1253.9 Ų53.910%0.09928%0.278CS..Hα-helixtrans-50.5-41.5-177.500000114.5L100 P108 R114L100-A110 WeakPolarHBondContact CD1-O 3.29Å; L100-A110 HydrophobicContact CD2-CB 3.92Å; P108-A110 PolarHBondContact O-N 2.95Å; A110-R114 WeakPolarHBondContact O-CB 3.4Å; A110-R114 PolarHBondContact O-N 2.88Å
111D97.4Very high97.1Very high112 Ų11255.2 Ų55.260%0.59928%0.283SS*.Hα-helixtrans-70.6-34-179.3-66.2-42.2000112.9K109 R114 T115K109-D111 VanDerWaalsContact C-N 3.29Å; K109-D111 PolarHBondContact O-N 3.31Å; D111-R114 PolarHBondContact O-N 3.5Å; D111-R114 IonicContact OD1-NH1 2.66Å; D111-T115 PolarHBondContact O-N 3.36Å; D111-T115 PolarHBondContact O-OG1 3.29Å
112E98.2Very high97.2Very high78 Ų7854.2 Ų54.236%0.36428%0.278SS..Hα-helixtrans-69.3-46.3175.7-171.1172.2-172.100110.3V68 K109 R114 T115 L116V68-E112 HydrophobicContact CG1-CG 4.04Å; V68-E112 WeakPolarHBondContact CG1-OE1 3.34Å; V68-E112 HydrophobicContact CG2-CB 4.35Å; V68-E112 HydrophobicContact CG2-CG 4.14Å; K109-E112 HydrophobicContact CB-CB 4.22Å; K109-E112 WeakPolarHBondContact CD-OE2 3.36Å; K109-E112 WeakPolarHBondContact O-CB 3.01Å; K109-E112 PolarHBondContact O-N 3.11Å; E112-R114 VanDerWaalsContact C-N 3.3Å; E112-R114 PolarHBondContact O-N 2.93Å; E112-T115 WeakPolarHBondContact O-CB 3.39Å; E112-T115 PolarHBondContact O-N 2.99Å; E112-T115 VanDerWaalsContact O-N 3.1Å; E112-L116 HydrophobicContact CG-CD1 4.36Å; E112-L116 WeakPolarHBondContact O-CG 3.42Å; E112-L116 PolarHBondContact O-N 3.39Å
113I98.3Very high97.2Very high3 Ų352.1 Ų52.12%0.01527%0.27CS..Hα-helixtrans-55.7-46172.5-68.4167.5000110.6M66 V68 L71 L100 I107 P108 K109 T115 L116 V117M66-I113 HydrophobicContact CG-CD1 4.1Å; M66-I113 HydrophobicContact CG-CG2 3.71Å; M66-I113 HydrophobicContact SD-CG2 4.42Å; V68-I113 HydrophobicContact CG2-CD1 4.42Å; V68-I113 HydrophobicContact CG2-CG1 3.74Å; L71-I113 HydrophobicContact CD1-CB 4.34Å; L71-I113 HydrophobicContact CD1-CG1 4.28Å; L71-I113 HydrophobicContact CD1-CG2 3.81Å; L100-I113 HydrophobicContact CD1-CG2 4.23Å; I107-I113 HydrophobicContact CG2-CD1 3.75Å; P108-I113 WeakPolarHBondContact O-CD1 3.27Å; K109-I113 PolarHBondContact O-N 2.75Å; I113-T115 VanDerWaalsContact C-N 3.28Å; I113-T115 PolarHBondContact O-N 3.44Å; I113-L116 PolarHBondContact O-N 3.45Å; I113-V117 HydrophobicContact CG2-CG2 4.43Å; I113-V117 WeakPolarHBondContact O-CB 3.05Å; I113-V117 WeakPolarHBondContact O-CG2 3.39Å; I113-V117 PolarHBondContact O-N 3.37Å
114R98.1Very high97.3Very high108 Ų10852.2 Ų52.241%0.40827%0.271SS..Hα-helixtrans-57.8-42.7177.7-173.8-179.9-67.4168.8-1.3111.7L100 A110 D111 E112 K118L100-R114 HydrophobicContact CD1-CB 3.75Å; L100-R114 HydrophobicContact CD1-CG 4.4Å; A110-R114 WeakPolarHBondContact O-CB 3.4Å; A110-R114 PolarHBondContact O-N 2.88Å; D111-R114 PolarHBondContact O-N 3.5Å; D111-R114 IonicContact OD1-NH1 2.66Å; E112-R114 VanDerWaalsContact C-N 3.3Å; E112-R114 PolarHBondContact O-N 2.93Å; R114-K118 WeakPolarHBondContact O-CB 3.25Å; R114-K118 PolarHBondContact O-N 2.96Å; R114-K118 VanDerWaalsContact O-N 3.11Å
115T98.4Very high97.4Very high80 Ų8050.2 Ų50.249%0.49126%0.256SS..Hα-helixtrans-67.2-46.8179.7-55.70000110.9D111 E112 I113 V117 K118 D119D111-T115 PolarHBondContact O-N 3.36Å; D111-T115 PolarHBondContact O-OG1 3.29Å; E112-T115 WeakPolarHBondContact O-CB 3.39Å; E112-T115 PolarHBondContact O-N 2.99Å; E112-T115 VanDerWaalsContact O-N 3.1Å; I113-T115 VanDerWaalsContact C-N 3.28Å; I113-T115 PolarHBondContact O-N 3.44Å; T115-V117 PolarHBondContact O-N 2.72Å; T115-K118 WeakPolarHBondContact O-CB 3.34Å; T115-K118 PolarHBondContact O-N 3.1Å; T115-K118 VanDerWaalsContact O-N 3.16Å; T115-D119 PolarHBondContact O-N 3.44Å
116L98.5Very high97.4Very high5 Ų547.1 Ų47.13%0.02625%0.246CC..Hα-helixtrans-61.9-45.1179.2-70.5169.2000112.7V68 L71 E72 E112 I113 K118 D119 I120V68-L116 HydrophobicContact CB-CD1 4.43Å; V68-L116 HydrophobicContact CG1-CD1 3.95Å; L71-L116 HydrophobicContact CB-CB 4.01Å; L71-L116 HydrophobicContact CB-CD1 3.88Å; E72-L116 HydrophobicContact CG-CD1 3.87Å; E72-L116 HydrophobicContact CG-CD2 3.74Å; E72-L116 HydrophobicContact CG-CG 4.49Å; E112-L116 HydrophobicContact CG-CD1 4.36Å; E112-L116 WeakPolarHBondContact O-CG 3.42Å; E112-L116 PolarHBondContact O-N 3.39Å; I113-L116 PolarHBondContact O-N 3.45Å; L116-K118 VanDerWaalsContact C-N 3.26Å; L116-K118 PolarHBondContact O-N 3.21Å; L116-D119 PolarHBondContact O-N 3.19Å; L116-I120 WeakPolarHBondContact O-CG1 3.46Å; L116-I120 PolarHBondContact O-N 3.25Å
117V98.3Very high97.6Very high5 Ų547.9 Ų47.93%0.0325%0.249CC..Hα-helixtrans-61.4-39176169.20000110.9L71 Y92 M93 T96 I113 T115 I120 W121L71-V117 HydrophobicContact CD1-CG2 4.09Å; L71-V117 HydrophobicContact CD2-CG2 4.1Å; Y92-V117 HydrophobicContact CD2-CG1 3.92Å; Y92-V117 HydrophobicContact CE2-CG1 4.03Å; M93-V117 HydrophobicContact SD-CG1 3.58Å; M93-V117 VanDerWaalsContact SD-CG1 3.58Å; T96-V117 HydrophobicContact CG2-CB 4.09Å; T96-V117 HydrophobicContact CG2-CG1 4Å; T96-V117 HydrophobicContact CG2-CG2 3.98Å; I113-V117 HydrophobicContact CG2-CG2 4.43Å; I113-V117 WeakPolarHBondContact O-CB 3.05Å; I113-V117 WeakPolarHBondContact O-CG2 3.39Å; I113-V117 PolarHBondContact O-N 3.37Å; T115-V117 PolarHBondContact O-N 2.72Å; V117-I120 PolarHBondContact O-N 2.88Å; V117-W121 WeakPolarHBondContact O-CB 3.43Å; V117-W121 PolarHBondContact O-N 2.98Å
118K98.3Very high97.7Very high95 Ų9548 Ų4841%0.41325%0.249SC..Hα-helixtrans-66.5-41.9176.9-176.854.1174.41550112.3R114 T115 L116 I120 W121 D122R114-K118 WeakPolarHBondContact O-CB 3.25Å; R114-K118 PolarHBondContact O-N 2.96Å; R114-K118 VanDerWaalsContact O-N 3.11Å; T115-K118 WeakPolarHBondContact O-CB 3.34Å; T115-K118 PolarHBondContact O-N 3.1Å; T115-K118 VanDerWaalsContact O-N 3.16Å; L116-K118 VanDerWaalsContact C-N 3.26Å; L116-K118 PolarHBondContact O-N 3.21Å; K118-I120 PolarHBondContact O-N 2.92Å; K118-W121 WeakPolarHBondContact O-CB 3.46Å; K118-W121 PolarHBondContact O-N 2.71Å; K118-D122 WeakPolarHBondContact CE-OD1 3.25Å; K118-D122 WeakPolarHBondContact CE-OD2 3.4Å; K118-D122 IonicContact NZ-OD1 3.72Å; K118-D122 PolarHBondContact NZ-OD1 3.11Å; K118-D122 IonicContact NZ-OD2 2.78Å; K118-D122 PolarHBondContact NZ-OD2 2.99Å; K118-D122 WeakPolarHBondContact O-CB 3.17Å; K118-D122 PolarHBondContact O-N 3.24Å
119D98.3Very high97.7Very high46 Ų4651.7 Ų51.725%0.24625%0.251CS..Hα-helixtrans-60.8-43.6175.4-77.1-8.4000112.1R75 R79 T115 L116 D122 T123R75-D119 HydrophobicContact CG-CB 4.2Å; R75-D119 IonicContact NH1-OD2 3.88Å; R79-D119 IonicContact NH2-OD2 3.78Å; T115-D119 PolarHBondContact O-N 3.44Å; L116-D119 PolarHBondContact O-N 3.19Å; D119-D122 PolarHBondContact O-N 3.21Å; D119-T123 WeakPolarHBondContact O-CB 3.14Å; D119-T123 PolarHBondContact O-N 3.39Å; D119-T123 PolarHBondContact O-OG1 2.94Å
120I98.2Very high97.6Very high9 Ų951.5 Ų51.55%0.04626%0.256CS..Hα-helixtrans-60.4-50.2175.6-68.5165.2000109.6L71 M74 R75 Y92 L116 V117 K118 D122 T123 R124L71-I120 HydrophobicContact CD2-CD1 4.05Å; M74-I120 HydrophobicContact CB-CD1 4.17Å; R75-I120 HydrophobicContact CB-CD1 4.33Å; R75-I120 HydrophobicContact CB-CG1 3.84Å; R75-I120 HydrophobicContact CG-CG1 4.22Å; Y92-I120 HydrophobicContact CE2-CG2 4.45Å; L116-I120 WeakPolarHBondContact O-CG1 3.46Å; L116-I120 PolarHBondContact O-N 3.25Å; V117-I120 PolarHBondContact O-N 2.88Å; K118-I120 PolarHBondContact O-N 2.92Å; I120-D122 PolarHBondContact O-N 2.74Å; I120-T123 PolarHBondContact O-N 3.48Å; I120-R124 HydrophobicContact CG2-CG 4.45Å; I120-R124 WeakPolarHBondContact O-CB 3.48Å; I120-R124 VanDerWaalsContact O-CG 3.25Å; I120-R124 WeakPolarHBondContact O-CG 3.34Å; I120-R124 PolarHBondContact O-N 3.31Å
121W98.1Very high97.5Very high30 Ų3053.1 Ų53.111%0.11427%0.266CS..Hα-helixtrans-57.2-49.2178.1171.3-88.3000112.5M93 V117 K118 T123 R124 V125 M151 E152 T155M93-W121 HydrophobicContact CE-CB 3.99Å; M93-W121 HydrophobicContact CE-CD2 3.64Å; M93-W121 HydrophobicContact CE-CE3 3.81Å; M93-W121 HydrophobicContact CE-CG 3.71Å; M93-W121 HydrophobicContact CG-CD2 4.15Å; M93-W121 HydrophobicContact CG-CE3 3.32Å; M93-W121 HydrophobicContact CG-CZ3 3.69Å; M93-W121 HydrophobicContact SD-CB 3.74Å; M93-W121 HydrophobicContact SD-CD2 3.94Å; M93-W121 HydrophobicContact SD-CE3 3.67Å; M93-W121 HydrophobicContact SD-CG 3.99Å; V117-W121 WeakPolarHBondContact O-CB 3.43Å; V117-W121 PolarHBondContact O-N 2.98Å; K118-W121 WeakPolarHBondContact O-CB 3.46Å; K118-W121 PolarHBondContact O-N 2.71Å; W121-T123 VanDerWaalsContact C-N 3.31Å; W121-T123 PolarHBondContact O-N 3.23Å; W121-R124 PolarHBondContact O-N 2.85Å; W121-V125 HydrophobicContact CD2-CG2 3.97Å; W121-V125 VanDerWaalsContact CE2-CG2 3.48Å; W121-V125 HydrophobicContact CG-CG2 4.36Å; W121-V125 HydrophobicContact CH2-CG2 4.32Å; W121-V125 HydrophobicContact CZ2-CG2 3.69Å; W121-V125 WeakPolarHBondContact O-CB 3.31Å; W121-V125 WeakPolarHBondContact O-CG2 3.18Å; W121-V125 PolarHBondContact O-N 3.41Å; W121-M151 HydrophobicContact CH2-CB 4.24Å; W121-M151 HydrophobicContact CH2-CG 3.63Å; W121-M151 HydrophobicContact CZ3-CB 4.09Å; W121-M151 HydrophobicContact CZ3-CG 3.8Å; W121-E152 HydrophobicContact CE3-CG 3.99Å; W121-E152 HydrophobicContact CH2-CG 4.04Å; W121-E152 HydrophobicContact CZ3-CB 4.4Å; W121-E152 HydrophobicContact CZ3-CG 3.45Å; W121-E152 VanDerWaalsContact CZ3-CG 3.45Å; W121-T155 HydrophobicContact CH2-CG2 3.82Å; W121-T155 HydrophobicContact CZ2-CG2 3.82Å
122D98.3Very high97.4Very high74 Ų7448.3 Ų48.340%0.39624%0.242SC..Hα-helixtrans-64.8-37.6-177.3-73.9-22.2000111.5K118 D119 I120 A126K118-D122 WeakPolarHBondContact CE-OD1 3.25Å; K118-D122 WeakPolarHBondContact CE-OD2 3.4Å; K118-D122 IonicContact NZ-OD1 3.72Å; K118-D122 PolarHBondContact NZ-OD1 3.11Å; K118-D122 IonicContact NZ-OD2 2.78Å; K118-D122 PolarHBondContact NZ-OD2 2.99Å; K118-D122 WeakPolarHBondContact O-CB 3.17Å; K118-D122 PolarHBondContact O-N 3.24Å; D119-D122 PolarHBondContact O-N 3.21Å; I120-D122 PolarHBondContact O-N 2.74Å; D122-A126 WeakPolarHBondContact O-CB 3.42Å; D122-A126 PolarHBondContact O-N 3.43Å
123T98Very high97.2Very high30 Ų3047.7 Ų47.718%0.18424%0.241CC..Hα-helixtrans-61.6-47.3173.7-55.60000111E78 R79 D119 I120 W121 A126 K127E78-T123 HydrophobicContact CG-CG2 4.04Å; R79-T123 HydrophobicContact CG-CG2 4.23Å; D119-T123 WeakPolarHBondContact O-CB 3.14Å; D119-T123 PolarHBondContact O-N 3.39Å; D119-T123 PolarHBondContact O-OG1 2.94Å; I120-T123 PolarHBondContact O-N 3.48Å; W121-T123 VanDerWaalsContact C-N 3.31Å; W121-T123 PolarHBondContact O-N 3.23Å; T123-A126 WeakPolarHBondContact O-CB 3.5Å; T123-A126 PolarHBondContact O-N 3.36Å; T123-K127 PolarHBondContact O-N 2.93Å
124R97.8Very high97.1Very high3 Ų349.6 Ų49.61%0.01125%0.254CS..Hα-helixtrans-68.9-40.7-178-68.7175.364.185.73.4112.7E78 T85 I120 W121 A126 K127 L128 N147 E152E78-R124 VanDerWaalsContact CD-CG 3.42Å; E78-R124 HydrophobicContact CG-CG 3.65Å; E78-R124 WeakPolarHBondContact OE1-CG 3.41Å; E78-R124 IonicContact OE1-NH1 2.71Å; E78-R124 IonicContact OE2-CZ 2.75Å; E78-R124 IonicContact OE2-NH1 3.66Å; E78-R124 PolarHBondContact OE2-NH1 2.92Å; T85-R124 PolarHBondContact O-NH1 2.66Å; I120-R124 HydrophobicContact CG2-CG 4.45Å; I120-R124 WeakPolarHBondContact O-CB 3.48Å; I120-R124 VanDerWaalsContact O-CG 3.25Å; I120-R124 WeakPolarHBondContact O-CG 3.34Å; I120-R124 PolarHBondContact O-N 3.31Å; W121-R124 PolarHBondContact O-N 2.85Å; R124-A126 VanDerWaalsContact C-N 3.31Å; R124-A126 PolarHBondContact O-N 3.17Å; R124-K127 PolarHBondContact O-N 3.46Å; R124-L128 WeakPolarHBondContact O-CB 3.4Å; R124-L128 PolarHBondContact O-N 3.16Å; R124-N147 PolarHBondContact NH2-O 3.01Å; R124-E152 WeakPolarHBondContact CD-OE1 3.37Å; R124-E152 IonicContact CZ-OE1 3.5Å; R124-E152 IonicContact CZ-OE2 2.93Å; R124-E152 IonicContact NE-OE1 3.63Å; R124-E152 PolarHBondContact NE-OE1 3.48Å; R124-E152 IonicContact NE-OE2 3.41Å; R124-E152 PolarHBondContact NE-OE2 3.11Å; R124-E152 IonicContact NH2-OE1 3.69Å; R124-E152 IonicContact NH2-OE2 3.9Å; R124-E152 PolarHBondContact NH2-OE2 2.96Å
125V97.1Very high96.9Very high13 Ų1345.9 Ų45.98%0.07924%0.241CC..Hα-helixtrans-64.8-37.1174.3171.70000111.3W121 L128 R129W121-V125 HydrophobicContact CD2-CG2 3.97Å; W121-V125 VanDerWaalsContact CE2-CG2 3.48Å; W121-V125 HydrophobicContact CG-CG2 4.36Å; W121-V125 HydrophobicContact CH2-CG2 4.32Å; W121-V125 HydrophobicContact CZ2-CG2 3.69Å; W121-V125 WeakPolarHBondContact O-CB 3.31Å; W121-V125 WeakPolarHBondContact O-CG2 3.18Å; W121-V125 PolarHBondContact O-N 3.41Å; V125-L128 PolarHBondContact O-N 3.36Å; V125-R129 WeakPolarHBondContact O-CG 3.33Å; V125-R129 PolarHBondContact O-N 3.21Å; V125-R129 VanDerWaalsContact O-N 3.09Å
126A97.1Very high96.7Very high46 Ų4644.8 Ų44.838%0.3823%0.232SC..Hα-helixtrans-62.7-46.8173.900000111.6D122 T123 R124 L128 R129 L130D122-A126 WeakPolarHBondContact O-CB 3.42Å; D122-A126 PolarHBondContact O-N 3.43Å; T123-A126 WeakPolarHBondContact O-CB 3.5Å; T123-A126 PolarHBondContact O-N 3.36Å; R124-A126 VanDerWaalsContact C-N 3.31Å; R124-A126 PolarHBondContact O-N 3.17Å; A126-L128 VanDerWaalsContact C-N 3.34Å; A126-L128 PolarHBondContact O-N 2.99Å; A126-R129 PolarHBondContact O-N 3.49Å; A126-L130 WeakPolarHBondContact O-CG 3.47Å; A126-L130 PolarHBondContact O-N 3.28Å; A126-L130 VanDerWaalsContact O-N 3.08Å
127K96.8Very high96.5Very high32 Ų3253.1 Ų53.114%0.13926%0.263CS..Hα-helixtrans-57.8-44.3174.1-72.9-178.2178.7-179.10112.5E78 E81 A83 F84 T123 R124 R129 L130 S131E78-K127 VanDerWaalsContact O-CE 3.26Å; E78-K127 WeakPolarHBondContact O-CE 3.48Å; E78-K127 PolarHBondContact O-NZ 2.92Å; E78-K127 WeakPolarHBondContact OE1-CD 3.49Å; E78-K127 WeakPolarHBondContact OE1-CE 3.46Å; E78-K127 IonicContact OE1-NZ 3.64Å; E78-K127 PolarHBondContact OE1-NZ 2.98Å; E81-K127 VanDerWaalsContact O-CE 3.25Å; E81-K127 WeakPolarHBondContact O-CE 3.49Å; E81-K127 PolarHBondContact O-NZ 3.09Å; A83-K127 PolarHBondContact O-NZ 3.31Å; F84-K127 HydrophobicContact CE1-CB 3.72Å; F84-K127 HydrophobicContact CE1-CD 4.46Å; F84-K127 HydrophobicContact CZ-CB 4.01Å; T123-K127 PolarHBondContact O-N 2.93Å; R124-K127 PolarHBondContact O-N 3.46Å; K127-R129 VanDerWaalsContact C-N 3.31Å; K127-R129 PolarHBondContact O-N 3.43Å; K127-L130 PolarHBondContact O-N 2.85Å; K127-S131 WeakPolarHBondContact O-CB 3.34Å; K127-S131 PolarHBondContact O-N 3.1Å
128L96.8Very high96.2Very high10 Ų1059 Ų595%0.05229%0.29CS..Hα-helixtrans-59.6-41.2178.4-175.859.7000112.2F84 R124 V125 A126 S131 A132 L148 I156F84-L128 HydrophobicContact CE1-CB 4.38Å; F84-L128 HydrophobicContact CZ-CB 4.09Å; F84-L128 HydrophobicContact CZ-CD1 4.27Å; R124-L128 WeakPolarHBondContact O-CB 3.4Å; R124-L128 PolarHBondContact O-N 3.16Å; V125-L128 PolarHBondContact O-N 3.36Å; A126-L128 VanDerWaalsContact C-N 3.34Å; A126-L128 PolarHBondContact O-N 2.99Å; L128-S131 PolarHBondContact O-N 2.98Å; L128-A132 WeakPolarHBondContact O-CB 3.29Å; L128-A132 PolarHBondContact O-N 3.15Å; L128-L148 HydrophobicContact CD1-CD1 3.75Å; L128-L148 HydrophobicContact CD1-CD2 4.38Å; L128-I156 HydrophobicContact CD2-CG2 3.8Å; L128-I156 HydrophobicContact CG-CG2 4.24Å
129R95.3Very high95.8Very high169 Ų16960.1 Ų60.164%0.63830%0.297SS*.Hα-helixtrans-65.9-43176-69.9170.2-177.9174.72112.2V125 A126 K127 A132 D133V125-R129 WeakPolarHBondContact O-CG 3.33Å; V125-R129 PolarHBondContact O-N 3.21Å; V125-R129 VanDerWaalsContact O-N 3.09Å; A126-R129 PolarHBondContact O-N 3.49Å; K127-R129 VanDerWaalsContact C-N 3.31Å; K127-R129 PolarHBondContact O-N 3.43Å; R129-A132 PolarHBondContact O-N 3.48Å; R129-D133 WeakPolarHBondContact O-CB 3.49Å; R129-D133 PolarHBondContact O-N 3.06Å
130L95.3Very high95.5Very high122 Ų12261.7 Ų61.764%0.63930%0.303SS*.Hα-helixtrans-65.2-41.3177.2-67.8174.5000111.7A126 K127 D133 S134A126-L130 WeakPolarHBondContact O-CG 3.47Å; A126-L130 PolarHBondContact O-N 3.28Å; A126-L130 VanDerWaalsContact O-N 3.08Å; K127-L130 PolarHBondContact O-N 2.85Å; L130-D133 PolarHBondContact O-N 2.66Å; L130-S134 WeakPolarHBondContact O-CB 3.31Å; L130-S134 PolarHBondContact O-N 3.45Å
131S95.2Very high95.2Very high45 Ų4566 Ų6632%0.31534%0.34SS..Hα-helixtrans-60.1-46.1174.3173.10000111.6K127 L128 S134 F135K127-S131 WeakPolarHBondContact O-CB 3.34Å; K127-S131 PolarHBondContact O-N 3.1Å; L128-S131 PolarHBondContact O-N 2.98Å; S131-S134 PolarHBondContact O-N 2.95Å; S131-F135 WeakPolarHBondContact O-CB 3.34Å; S131-F135 PolarHBondContact O-N 2.76Å
132A95.1Very high94.9Very high11 Ų1171.4 Ų71.49%0.09137%0.366CS..Hα-helixtrans-64.8-41.8177.900000112.6L128 R129 F135 I136 I156 L160L128-A132 WeakPolarHBondContact O-CB 3.29Å; L128-A132 PolarHBondContact O-N 3.15Å; R129-A132 PolarHBondContact O-N 3.48Å; A132-F135 PolarHBondContact O-N 2.81Å; A132-I136 WeakPolarHBondContact O-CG1 3.31Å; A132-I136 PolarHBondContact O-N 3.03Å; A132-I136 VanDerWaalsContact O-N 3.11Å; A132-I156 HydrophobicContact CB-CD1 4.1Å; A132-L160 HydrophobicContact CB-CD1 4.14Å; A132-L160 HydrophobicContact CB-CD2 4.16Å
133D95.1Very high94.6Very high66 Ų6670 Ų7035%0.35337%0.365SS..Hα-helixtrans-63-44.7176.6177.575.4000111.3R129 L130 F135 I136 R137R129-D133 WeakPolarHBondContact O-CB 3.49Å; R129-D133 PolarHBondContact O-N 3.06Å; L130-D133 PolarHBondContact O-N 2.66Å; D133-F135 PolarHBondContact O-N 2.63Å; D133-I136 PolarHBondContact O-N 3.3Å; D133-R137 VanDerWaalsContact CG-NE 3.25Å; D133-R137 WeakPolarHBondContact O-CB 3.49Å; D133-R137 VanDerWaalsContact O-CG 3.31Å; D133-R137 WeakPolarHBondContact O-CG 3.3Å; D133-R137 PolarHBondContact O-N 3.49Å; D133-R137 IonicContact OD1-CZ 3.49Å; D133-R137 IonicContact OD1-NE 3.11Å; D133-R137 PolarHBondContact OD1-NE 2.91Å; D133-R137 VanDerWaalsContact OD1-NE 3.11Å; D133-R137 IonicContact OD1-NH2 3.01Å; D133-R137 PolarHBondContact OD1-NH2 3.25Å; D133-R137 IonicContact OD2-CZ 3.54Å; D133-R137 IonicContact OD2-NE 2.72Å; D133-R137 PolarHBondContact OD2-NE 3.14Å; D133-R137 IonicContact OD2-NH2 3.48Å; D133-R137 PolarHBondContact OD2-NH2 3.44Å
134S94.4Very high94.2Very high42 Ų4275.3 Ų75.329%0.29439%0.387SS..Hα-helixtrans-59.2-48.4175.4-177.70000111.9L130 S131 I136 R137 Q138L130-S134 WeakPolarHBondContact O-CB 3.31Å; L130-S134 PolarHBondContact O-N 3.45Å; S131-S134 PolarHBondContact O-N 2.95Å; S134-I136 VanDerWaalsContact C-N 3.3Å; S134-I136 PolarHBondContact O-N 2.93Å; S134-R137 PolarHBondContact O-N 3.34Å; S134-Q138 WeakPolarHBondContact O-CB 3.5Å; S134-Q138 WeakPolarHBondContact O-CG 3.38Å; S134-Q138 PolarHBondContact O-N 3.24Å; S134-Q138 PolarHBondContact OG-NE2 3.32Å
135F94.7Very high93.7Very high30 Ų3079.3 Ų79.313%0.13241%0.408CS..Hα-helixtrans-55.3-45.3178.9-178.4-92.6000112.1S131 A132 D133 Q139 E140 A143 L164S131-F135 WeakPolarHBondContact O-CB 3.34Å; S131-F135 PolarHBondContact O-N 2.76Å; A132-F135 PolarHBondContact O-N 2.81Å; D133-F135 PolarHBondContact O-N 2.63Å; F135-Q139 PolarHBondContact O-N 3.16Å; F135-Q139 VanDerWaalsContact O-N 3.14Å; F135-E140 HydrophobicContact CD2-CB 3.45Å; F135-E140 VanDerWaalsContact CD2-CB 3.45Å; F135-E140 HydrophobicContact CD2-CG 4.41Å; F135-E140 WeakPolarHBondContact CD2-OE2 3.4Å; F135-E140 HydrophobicContact CE2-CB 3.44Å; F135-E140 VanDerWaalsContact CE2-CB 3.44Å; F135-E140 HydrophobicContact CG-CB 4.19Å; F135-E140 HydrophobicContact CZ-CB 4.18Å; F135-E140 WeakPolarHBondContact CZ-O 3.49Å; F135-E140 PolarHBondContact O-N 3.2Å; F135-A143 HydrophobicContact CD2-CB 3.79Å; F135-A143 HydrophobicContact CE2-CB 3.85Å; F135-L164 HydrophobicContact CD1-CD1 4.33Å; F135-L164 HydrophobicContact CD1-CD2 3.96Å; F135-L164 HydrophobicContact CE1-CD1 3.86Å; F135-L164 HydrophobicContact CE1-CD2 3.7Å; F135-L164 HydrophobicContact CE1-CG 4.45Å
136I94Very high93.6Very high57 Ų5782.8 Ų82.829%0.29243%0.427SS..Hα-helixtrans-66-47.4178.7-71.1167.2000111.1A132 D133 S134 Q138 Q139 L160 L164 M167A132-I136 WeakPolarHBondContact O-CG1 3.31Å; A132-I136 PolarHBondContact O-N 3.03Å; A132-I136 VanDerWaalsContact O-N 3.11Å; D133-I136 PolarHBondContact O-N 3.3Å; S134-I136 VanDerWaalsContact C-N 3.3Å; S134-I136 PolarHBondContact O-N 2.93Å; I136-Q138 VanDerWaalsContact C-N 3.34Å; I136-Q138 PolarHBondContact O-N 3.32Å; I136-Q139 PolarHBondContact O-N 3.37Å; I136-L160 HydrophobicContact CD1-CD1 4.01Å; I136-L164 HydrophobicContact CG1-CD2 4.03Å; I136-M167 HydrophobicContact CB-CE 4.45Å; I136-M167 HydrophobicContact CG1-SD 4.22Å; I136-M167 HydrophobicContact CG2-CE 3.88Å; I136-M167 HydrophobicContact CG2-SD 3.85Å
137R94.1Very high93.5Very high181 Ų18184.4 Ų84.468%0.68343%0.429SS*.Hα-helixtrans-62.4-41.2-178.6-74.7179.3-168.9-86.4-12.2112.4D133 S134 Q139D133-R137 VanDerWaalsContact CG-NE 3.25Å; D133-R137 WeakPolarHBondContact O-CB 3.49Å; D133-R137 VanDerWaalsContact O-CG 3.31Å; D133-R137 WeakPolarHBondContact O-CG 3.3Å; D133-R137 PolarHBondContact O-N 3.49Å; D133-R137 IonicContact OD1-CZ 3.49Å; D133-R137 IonicContact OD1-NE 3.11Å; D133-R137 PolarHBondContact OD1-NE 2.91Å; D133-R137 VanDerWaalsContact OD1-NE 3.11Å; D133-R137 IonicContact OD1-NH2 3.01Å; D133-R137 PolarHBondContact OD1-NH2 3.25Å; D133-R137 IonicContact OD2-CZ 3.54Å; D133-R137 IonicContact OD2-NE 2.72Å; D133-R137 PolarHBondContact OD2-NE 3.14Å; D133-R137 IonicContact OD2-NH2 3.48Å; D133-R137 PolarHBondContact OD2-NH2 3.44Å; S134-R137 PolarHBondContact O-N 3.34Å; R137-Q139 VanDerWaalsContact C-N 3.26Å; R137-Q139 PolarHBondContact O-N 2.83Å
138Q93.4Very high93.5Very high128 Ų12884.1 Ų84.160%0.59843%0.429SS*.Hα-helixtrans-81.4-7.1-178.9-62.4-171.145.200112.8S134 I136 E140S134-Q138 WeakPolarHBondContact O-CB 3.5Å; S134-Q138 WeakPolarHBondContact O-CG 3.38Å; S134-Q138 PolarHBondContact O-N 3.24Å; S134-Q138 PolarHBondContact OG-NE2 3.32Å; I136-Q138 VanDerWaalsContact C-N 3.34Å; I136-Q138 PolarHBondContact O-N 3.32Å; Q138-E140 HydrophobicContact CB-CG 3.93Å; Q138-E140 PolarHBondContact O-N 3.09Å; Q138-E140 PolarHBondContact OE1-OE1 2.75Å
139Q89.9Confident93.5Very high119 Ų11984 Ų8456%0.55643%0.428SS*.THydrogen-bonded Turntrans54.637-177.5-53.6-177.78.600112.9F135 I136 R137 R171F135-Q139 PolarHBondContact O-N 3.16Å; F135-Q139 VanDerWaalsContact O-N 3.14Å; I136-Q139 PolarHBondContact O-N 3.37Å; R137-Q139 VanDerWaalsContact C-N 3.26Å; R137-Q139 PolarHBondContact O-N 2.83Å; Q139-R171 PolarHBondContact O-NH1 3.32Å; Q139-R171 VanDerWaalsContact O-NH1 3.1Å
140E91.8Very high93.6Very high78 Ų7878 Ų7836%0.36441%0.408SS..  trans-62.2154.1177.1-73.6175.3-151.700110.8F135 Q138F135-E140 HydrophobicContact CD2-CB 3.45Å; F135-E140 VanDerWaalsContact CD2-CB 3.45Å; F135-E140 HydrophobicContact CD2-CG 4.41Å; F135-E140 WeakPolarHBondContact CD2-OE2 3.4Å; F135-E140 HydrophobicContact CE2-CB 3.44Å; F135-E140 VanDerWaalsContact CE2-CB 3.44Å; F135-E140 HydrophobicContact CG-CB 4.19Å; F135-E140 HydrophobicContact CZ-CB 4.18Å; F135-E140 WeakPolarHBondContact CZ-O 3.49Å; F135-E140 PolarHBondContact O-N 3.2Å; Q138-E140 HydrophobicContact CB-CG 3.93Å; Q138-E140 PolarHBondContact O-N 3.09Å; Q138-E140 PolarHBondContact OE1-OE1 2.75Å
141A90.6Very high93.7Very high100 Ų10073.5 Ų73.583%0.82639%0.385SS*.SBendtrans-107.8-12.3178.900000112.8
142H92.3Very high93.7Very high144 Ų14471.4 Ų71.467%0.66737%0.37SS*.  trans-148.2137.3-175.817772.2000110.2
143A90.9Very high93.8Very high44 Ų4473.3 Ų73.336%0.36438%0.378SS..  trans-133.1137.2172.500000109.1F135F135-A143 HydrophobicContact CD2-CB 3.79Å; F135-A143 HydrophobicContact CE2-CB 3.85Å
144Q90.1Very high93.8Very high142 Ų14271 Ų7166%0.66437%0.366SS*.  trans-95.2123.8169.7-176.7173.7-12.800108.7D146Q144-D146 PolarHBondContact NE2-OD1 2.91Å; Q144-D146 VanDerWaalsContact NE2-OD1 3.11Å; Q144-D146 PolarHBondContact NE2-OD2 2.8Å
145L88.8Confident93.8Very high86 Ų8672.8 Ų72.845%0.4538%0.375SS..  trans-120.288.3-178.2-63.5176.2000109L148L145-L148 HydrophobicContact CB-CD1 3.84Å; L145-L148 HydrophobicContact CB-CG 4.49Å; L145-L148 HydrophobicContact CD1-CD1 3.97Å; L145-L148 HydrophobicContact CD2-CD1 4.19Å; L145-L148 HydrophobicContact CG-CD1 4.22Å
146D93.6Very high93.8Very high87 Ų8772.8 Ų72.847%0.46538%0.376SS..  trans-85.1151.6177.2-60.4-37.3000110.9F84 Q144 L148F84-D146 WeakPolarHBondContact CB-O 3.33Å; Q144-D146 PolarHBondContact NE2-OD1 2.91Å; Q144-D146 VanDerWaalsContact NE2-OD1 3.11Å; Q144-D146 PolarHBondContact NE2-OD2 2.8Å; D146-L148 PolarHBondContact O-N 2.79Å
147N96.4Very high93.7Very high80 Ų8074.7 Ų74.743%0.42838%0.38SS..SBendtrans59.412.2171.8-53-45.5000116.8F84 T85 R124F84-N147 HydrophobicContact CB-CB 4.16Å; F84-N147 PolarHBondContact O-ND2 3.35Å; T85-N147 WeakPolarHBondContact O-CB 3.35Å; R124-N147 PolarHBondContact NH2-O 3.01Å
148L96.4Very high93.8Very high26 Ų2671.7 Ų71.714%0.13637%0.373CS..  trans-73.4141.1170.9-74.2-176.6000111.4F84 L128 L145 D146 E152 I153F84-L148 HydrophobicContact CD1-CD2 3.64Å; F84-L148 HydrophobicContact CD2-CD2 4.01Å; F84-L148 HydrophobicContact CD2-CG 4.24Å; F84-L148 HydrophobicContact CE1-CD2 3.52Å; F84-L148 HydrophobicContact CE2-CD2 3.92Å; F84-L148 HydrophobicContact CE2-CG 4.27Å; F84-L148 HydrophobicContact CG-CD2 3.89Å; F84-L148 HydrophobicContact CG-CG 4.45Å; F84-L148 HydrophobicContact CZ-CD2 3.68Å; F84-L148 HydrophobicContact CZ-CG 4.48Å; L128-L148 HydrophobicContact CD1-CD1 3.75Å; L128-L148 HydrophobicContact CD1-CD2 4.38Å; L145-L148 HydrophobicContact CB-CD1 3.84Å; L145-L148 HydrophobicContact CB-CG 4.49Å; L145-L148 HydrophobicContact CD1-CD1 3.97Å; L145-L148 HydrophobicContact CD2-CD1 4.19Å; L145-L148 HydrophobicContact CG-CD1 4.22Å; D146-L148 PolarHBondContact O-N 2.79Å; L148-E152 HydrophobicContact CD2-CB 4.39Å; L148-E152 WeakPolarHBondContact CD2-OE2 3.26Å; L148-I153 HydrophobicContact CB-CD1 4.03Å; L148-I153 HydrophobicContact CB-CG1 3.91Å; L148-I153 HydrophobicContact CD1-CG1 4.04Å
149T97.1Very high93.8Very high6 Ų672.7 Ų72.74%0.03738%0.376CS..  trans-87.2161.7173.670.40000112A87 P90 Y92 M151 E152 I153A87-T149 HydrophobicContact CB-CG2 3.7Å; P90-T149 WeakPolarHBondContact O-CB 3.35Å; Y92-T149 HydrophobicContact CD1-CG2 3.89Å; Y92-T149 HydrophobicContact CE1-CG2 3.65Å; T149-M151 VanDerWaalsContact C-N 3.28Å; T149-M151 PolarHBondContact O-N 3.44Å; T149-E152 PolarHBondContact N-OE2 3.32Å; T149-E152 PolarHBondContact O-N 3.43Å; T149-E152 VanDerWaalsContact OG1-CD 3.29Å; T149-E152 VanDerWaalsContact OG1-CG 3.3Å; T149-E152 WeakPolarHBondContact OG1-CG 2.98Å; T149-E152 PolarHBondContact OG1-N 2.78Å; T149-E152 PolarHBondContact OG1-OE2 3.17Å; T149-I153 WeakPolarHBondContact O-CG1 3.41Å; T149-I153 PolarHBondContact O-N 3.01Å; T149-I153 VanDerWaalsContact O-N 3.1Å
150L96.2Very high94Very high43 Ų4368.7 Ų68.723%0.22536%0.358CS..Hα-helixtrans-59.9-40.4179.4-178.857000111.6M1 V6 L9 Y91 I153 N154M1-L150 HydrophobicContact SD-CD2 4.39Å; V6-L150 HydrophobicContact CG1-CB 4.3Å; V6-L150 HydrophobicContact CG1-CD2 3.95Å; V6-L150 HydrophobicContact CG1-CG 3.94Å; V6-L150 HydrophobicContact CG2-CG 4.41Å; L9-L150 HydrophobicContact CD1-CD2 3.77Å; Y91-L150 HydrophobicContact CE1-CD2 4.26Å; L150-I153 PolarHBondContact O-N 3.32Å; L150-N154 VanDerWaalsContact O-CB 3.25Å; L150-N154 WeakPolarHBondContact O-CB 3.49Å; L150-N154 PolarHBondContact O-N 3.12Å
151M96.9Very high94.2Very high28 Ų2869.3 Ų69.314%0.13836%0.364CS..Hα-helixtrans-63.6-44.2178.7-170.455.677.700112V6 E94 W121 T149 N154 T155V6-M151 HydrophobicContact CB-CE 3.72Å; V6-M151 HydrophobicContact CG1-CB 4.47Å; V6-M151 HydrophobicContact CG1-CE 3.81Å; V6-M151 HydrophobicContact CG2-CE 4.39Å; E94-M151 HydrophobicContact CG-CE 3.7Å; E94-M151 WeakPolarHBondContact OE1-CB 3.41Å; E94-M151 VanDerWaalsContact OE1-CE 3.29Å; E94-M151 WeakPolarHBondContact OE1-CE 3.27Å; W121-M151 HydrophobicContact CH2-CB 4.24Å; W121-M151 HydrophobicContact CH2-CG 3.63Å; W121-M151 HydrophobicContact CZ3-CB 4.09Å; W121-M151 HydrophobicContact CZ3-CG 3.8Å; T149-M151 VanDerWaalsContact C-N 3.28Å; T149-M151 PolarHBondContact O-N 3.44Å; M151-N154 PolarHBondContact O-N 2.96Å; M151-T155 VanDerWaalsContact O-CG2 3.25Å; M151-T155 WeakPolarHBondContact O-CG2 3.21Å; M151-T155 PolarHBondContact O-N 2.96Å
152E96.7Very high94.4Very high1 Ų169.5 Ų69.51%0.00535%0.351CS..Hα-helixtrans-58.7-50.5177.1-70.1164.2174.600110.6Y92 W121 R124 L148 T149 N154 T155Y92-E152 PolarHBondContact OH-OE1 2.9Å; W121-E152 HydrophobicContact CE3-CG 3.99Å; W121-E152 HydrophobicContact CH2-CG 4.04Å; W121-E152 HydrophobicContact CZ3-CB 4.4Å; W121-E152 HydrophobicContact CZ3-CG 3.45Å; W121-E152 VanDerWaalsContact CZ3-CG 3.45Å; R124-E152 WeakPolarHBondContact CD-OE1 3.37Å; R124-E152 IonicContact CZ-OE1 3.5Å; R124-E152 IonicContact CZ-OE2 2.93Å; R124-E152 IonicContact NE-OE1 3.63Å; R124-E152 PolarHBondContact NE-OE1 3.48Å; R124-E152 IonicContact NE-OE2 3.41Å; R124-E152 PolarHBondContact NE-OE2 3.11Å; R124-E152 IonicContact NH2-OE1 3.69Å; R124-E152 IonicContact NH2-OE2 3.9Å; R124-E152 PolarHBondContact NH2-OE2 2.96Å; L148-E152 HydrophobicContact CD2-CB 4.39Å; L148-E152 WeakPolarHBondContact CD2-OE2 3.26Å; T149-E152 PolarHBondContact N-OE2 3.32Å; T149-E152 PolarHBondContact O-N 3.43Å; T149-E152 VanDerWaalsContact OG1-CD 3.29Å; T149-E152 VanDerWaalsContact OG1-CG 3.3Å; T149-E152 WeakPolarHBondContact OG1-CG 2.98Å; T149-E152 PolarHBondContact OG1-N 2.78Å; T149-E152 PolarHBondContact OG1-OE2 3.17Å; E152-N154 VanDerWaalsContact C-N 3.31Å; E152-N154 PolarHBondContact O-N 3.14Å; E152-T155 PolarHBondContact O-N 3.48Å; E152-T155 PolarHBondContact O-OG1 3.42Å
153I95.9Very high94.5Very high52 Ų5264.5 Ų64.527%0.26733%0.332SS..Hα-helixtrans-59-45.3177.7-64.6167000110.3L148 T149 L150 T155 I156 R157L148-I153 HydrophobicContact CB-CD1 4.03Å; L148-I153 HydrophobicContact CB-CG1 3.91Å; L148-I153 HydrophobicContact CD1-CG1 4.04Å; T149-I153 WeakPolarHBondContact O-CG1 3.41Å; T149-I153 PolarHBondContact O-N 3.01Å; T149-I153 VanDerWaalsContact O-N 3.1Å; L150-I153 PolarHBondContact O-N 3.32Å; I153-T155 PolarHBondContact O-N 3.04Å; I153-I156 PolarHBondContact O-N 2.92Å; I153-R157 HydrophobicContact CG2-CB 4.3Å; I153-R157 VanDerWaalsContact O-CB 3.25Å; I153-R157 WeakPolarHBondContact O-CB 3.33Å; I153-R157 PolarHBondContact O-N 2.91Å
154N95.6Very high94.7Very high16 Ų1664.2 Ų64.29%0.08632%0.324CS..Hα-helixtrans-61.7-28.4-176.1-165.950.4000112.8M1 V6 L150 M151 E152 I156M1-N154 WeakPolarHBondContact CB-OD1 3.43Å; M1-N154 PolarHBondContact N-OD1 3.34Å; M1-N154 VanDerWaalsContact O-CG 3.24Å; M1-N154 PolarHBondContact O-ND2 3.46Å; M1-N154 PolarHBondContact O-OD1 3.36Å; V6-N154 HydrophobicContact CG2-CB 4.37Å; L150-N154 VanDerWaalsContact O-CB 3.25Å; L150-N154 WeakPolarHBondContact O-CB 3.49Å; L150-N154 PolarHBondContact O-N 3.12Å; M151-N154 PolarHBondContact O-N 2.96Å; E152-N154 VanDerWaalsContact C-N 3.31Å; E152-N154 PolarHBondContact O-N 3.14Å; N154-I156 VanDerWaalsContact C-N 3.3Å; N154-I156 PolarHBondContact O-N 3.3Å
155T94Very high95Very high80 Ų8061.8 Ų61.849%0.49132%0.316SS..Hα-helixtrans-68.1-24.717967.60000115W121 M151 E152 I153W121-T155 HydrophobicContact CH2-CG2 3.82Å; W121-T155 HydrophobicContact CZ2-CG2 3.82Å; M151-T155 VanDerWaalsContact O-CG2 3.25Å; M151-T155 WeakPolarHBondContact O-CG2 3.21Å; M151-T155 PolarHBondContact O-N 2.96Å; E152-T155 PolarHBondContact O-N 3.48Å; E152-T155 PolarHBondContact O-OG1 3.42Å; I153-T155 PolarHBondContact O-N 3.04Å
156I93.9Very high95.2Very high31 Ų3161.4 Ų61.416%0.15932%0.319CS..Hα-helixtrans-121.1-18.8-174.5-157.5176.6000113.2L128 A132 I153 N154 E158 F159 L160L128-I156 HydrophobicContact CD2-CG2 3.8Å; L128-I156 HydrophobicContact CG-CG2 4.24Å; A132-I156 HydrophobicContact CB-CD1 4.1Å; I153-I156 PolarHBondContact O-N 2.92Å; N154-I156 VanDerWaalsContact C-N 3.3Å; N154-I156 PolarHBondContact O-N 3.3Å; I156-E158 PolarHBondContact O-N 2.86Å; I156-F159 PolarHBondContact O-N 3.05Å; I156-L160 HydrophobicContact CG1-CB 4.16Å; I156-L160 VanDerWaalsContact O-CB 3.32Å; I156-L160 WeakPolarHBondContact O-CB 3.37Å; I156-L160 PolarHBondContact O-N 3.22Å
157R93.9Very high95.1Very high96 Ų9660.5 Ų60.536%0.36231%0.313SS..Hα-helixtrans-48.6-56.3-170.3-179.8-174.3-63.7-1552.6113.3I153 L161I153-R157 HydrophobicContact CG2-CB 4.3Å; I153-R157 VanDerWaalsContact O-CB 3.25Å; I153-R157 WeakPolarHBondContact O-CB 3.33Å; I153-R157 PolarHBondContact O-N 2.91Å; R157-L161 HydrophobicContact CG-CD1 3.67Å; R157-L161 HydrophobicContact CG-CG 4.39Å; R157-L161 VanDerWaalsContact O-CB 3.32Å; R157-L161 WeakPolarHBondContact O-CB 3.43Å; R157-L161 VanDerWaalsContact O-CG 3.23Å; R157-L161 WeakPolarHBondContact O-CG 3.48Å; R157-L161 PolarHBondContact O-N 2.89Å
158E94.3Very high95Very high118 Ų11864.4 Ų64.455%0.55132%0.323SS*.Hα-helixtrans-61.8-53.7-173-68.3176.3-172.800110.5M1 I156 L160 D162M1-E158 PolarHBondContact N-OE1 3.48Å; I156-E158 PolarHBondContact O-N 2.86Å; E158-L160 PolarHBondContact O-N 3.28Å; E158-D162 WeakPolarHBondContact O-CB 3.43Å; E158-D162 VanDerWaalsContact O-CG 3.3Å; E158-D162 PolarHBondContact O-N 3.34Å; E158-D162 VanDerWaalsContact O-N 3.07Å
159F94.4Very high94.8Very high150 Ų15069 Ų6966%0.65834%0.341SS*.Hα-helixtrans-59.6-46.8179.4174.6-101.8000113.3I156 S163I156-F159 PolarHBondContact O-N 3.05Å; F159-S163 WeakPolarHBondContact O-CB 3.37Å; F159-S163 PolarHBondContact O-N 3.18Å; F159-S163 VanDerWaalsContact O-N 3.07Å; F159-S163 PolarHBondContact O-OG 3.11Å
160L94.8Very high94.5Very high34 Ų3474.4 Ų74.418%0.17837%0.37CS..Hα-helixtrans-66.8-46.8-176.1-178.560.3000111.1A132 I136 I156 E158 S163 L164A132-L160 HydrophobicContact CB-CD1 4.14Å; A132-L160 HydrophobicContact CB-CD2 4.16Å; I136-L160 HydrophobicContact CD1-CD1 4.01Å; I156-L160 HydrophobicContact CG1-CB 4.16Å; I156-L160 VanDerWaalsContact O-CB 3.32Å; I156-L160 WeakPolarHBondContact O-CB 3.37Å; I156-L160 PolarHBondContact O-N 3.22Å; E158-L160 PolarHBondContact O-N 3.28Å; L160-S163 PolarHBondContact O-N 2.89Å; L160-L164 HydrophobicContact CD1-CD1 4.05Å; L160-L164 HydrophobicContact CD1-CG 4.14Å; L160-L164 HydrophobicContact CG-CD1 3.94Å; L160-L164 HydrophobicContact CG-CG 4.41Å; L160-L164 WeakPolarHBondContact O-CB 3.46Å; L160-L164 WeakPolarHBondContact O-CG 3.06Å; L160-L164 PolarHBondContact O-N 3.42Å
161L94.6Very high94.1Very high92 Ų9279.1 Ų79.148%0.48238%0.384SS..Hα-helixtrans-66-41-178.7-67.8179.6000112R157 S163 L164 N165R157-L161 HydrophobicContact CG-CD1 3.67Å; R157-L161 HydrophobicContact CG-CG 4.39Å; R157-L161 VanDerWaalsContact O-CB 3.32Å; R157-L161 WeakPolarHBondContact O-CB 3.43Å; R157-L161 VanDerWaalsContact O-CG 3.23Å; R157-L161 WeakPolarHBondContact O-CG 3.48Å; R157-L161 PolarHBondContact O-N 2.89Å; L161-S163 PolarHBondContact O-N 3.17Å; L161-L164 PolarHBondContact O-N 3.19Å; L161-N165 WeakPolarHBondContact O-CB 3.37Å; L161-N165 VanDerWaalsContact O-CG 3.26Å; L161-N165 PolarHBondContact O-N 3.24Å; L161-N165 PolarHBondContact O-ND2 3.39Å
162D95.9Very high93.7Very high104 Ų10479.8 Ų79.856%0.55639%0.392SS*.Hα-helixtrans-63-43.9176.8-73.3-15.1000111.6E158 N165 C166E158-D162 WeakPolarHBondContact O-CB 3.43Å; E158-D162 VanDerWaalsContact O-CG 3.3Å; E158-D162 PolarHBondContact O-N 3.34Å; E158-D162 VanDerWaalsContact O-N 3.07Å; D162-N165 PolarHBondContact O-N 3.35Å; D162-C166 PolarHBondContact O-N 3.31Å; D162-C166 VanDerWaalsContact O-N 3.09Å
163S94.7Very high93.1Very high38 Ų3885.9 Ų85.927%0.26643%0.425SS..Hα-helixtrans-62.1-44.5176.5-59.80000111.8F159 L160 L161 C166 M167F159-S163 WeakPolarHBondContact O-CB 3.37Å; F159-S163 PolarHBondContact O-N 3.18Å; F159-S163 VanDerWaalsContact O-N 3.07Å; F159-S163 PolarHBondContact O-OG 3.11Å; L160-S163 PolarHBondContact O-N 2.89Å; L161-S163 PolarHBondContact O-N 3.17Å; S163-C166 WeakPolarHBondContact O-CB 3.17Å; S163-C166 PolarHBondContact O-N 2.95Å; S163-M167 WeakPolarHBondContact O-CG 3.36Å; S163-M167 PolarHBondContact O-N 2.91Å
164L94.8Very high91.7Very high39 Ų3990.5 Ų90.520%0.20445%0.449CS..Hα-helixtrans-66-37.6178-71.1177000112.3F135 I136 L160 L161 C166 M167 Y168F135-L164 HydrophobicContact CD1-CD1 4.33Å; F135-L164 HydrophobicContact CD1-CD2 3.96Å; F135-L164 HydrophobicContact CE1-CD1 3.86Å; F135-L164 HydrophobicContact CE1-CD2 3.7Å; F135-L164 HydrophobicContact CE1-CG 4.45Å; I136-L164 HydrophobicContact CG1-CD2 4.03Å; L160-L164 HydrophobicContact CD1-CD1 4.05Å; L160-L164 HydrophobicContact CD1-CG 4.14Å; L160-L164 HydrophobicContact CG-CD1 3.94Å; L160-L164 HydrophobicContact CG-CG 4.41Å; L160-L164 WeakPolarHBondContact O-CB 3.46Å; L160-L164 WeakPolarHBondContact O-CG 3.06Å; L160-L164 PolarHBondContact O-N 3.42Å; L161-L164 PolarHBondContact O-N 3.19Å; L164-C166 VanDerWaalsContact C-N 3.34Å; L164-C166 PolarHBondContact O-N 3.18Å; L164-M167 HydrophobicContact CD2-SD 4.11Å; L164-M167 PolarHBondContact O-N 2.81Å; L164-Y168 WeakPolarHBondContact O-CB 3.29Å; L164-Y168 PolarHBondContact O-N 3.06Å
165N94.9Very high90Very high91 Ų9196.5 Ų96.549%0.48748%0.477SS..Hα-helixtrans-61.2-42.6173.9-78.8-33.2000111.6L161 D162 Y168 K169L161-N165 WeakPolarHBondContact O-CB 3.37Å; L161-N165 VanDerWaalsContact O-CG 3.26Å; L161-N165 PolarHBondContact O-N 3.24Å; L161-N165 PolarHBondContact O-ND2 3.39Å; D162-N165 PolarHBondContact O-N 3.35Å; N165-Y168 PolarHBondContact O-N 2.99Å; N165-K169 WeakPolarHBondContact O-CG 3.35Å; N165-K169 PolarHBondContact O-N 3.23Å; N165-K169 VanDerWaalsContact O-N 3.08Å
166C93.8Very high87.8Confident77 Ų7799.3 Ų99.352%0.5250%0.496SS..Hα-helixtrans-62.5-47.3173.6-750000111.8D162 S163 L164 Y168 K169 L170D162-C166 PolarHBondContact O-N 3.31Å; D162-C166 VanDerWaalsContact O-N 3.09Å; S163-C166 WeakPolarHBondContact O-CB 3.17Å; S163-C166 PolarHBondContact O-N 2.95Å; L164-C166 VanDerWaalsContact C-N 3.34Å; L164-C166 PolarHBondContact O-N 3.18Å; C166-Y168 VanDerWaalsContact C-N 3.32Å; C166-Y168 PolarHBondContact O-N 3.46Å; C166-K169 PolarHBondContact O-N 2.88Å; C166-L170 WeakPolarHBondContact O-CG 3.35Å; C166-L170 PolarHBondContact O-N 3.2Å
167M92.4Very high86Confident68 Ų68101.1 Ų101.134%0.33552%0.523SS..Hα-helixtrans-58.7-43.5176.5-73.3176.655.800112.1I136 S163 L164 K169 L170 R171I136-M167 HydrophobicContact CB-CE 4.45Å; I136-M167 HydrophobicContact CG1-SD 4.22Å; I136-M167 HydrophobicContact CG2-CE 3.88Å; I136-M167 HydrophobicContact CG2-SD 3.85Å; S163-M167 WeakPolarHBondContact O-CG 3.36Å; S163-M167 PolarHBondContact O-N 2.91Å; L164-M167 HydrophobicContact CD2-SD 4.11Å; L164-M167 PolarHBondContact O-N 2.81Å; M167-K169 PolarHBondContact O-N 2.87Å; M167-L170 PolarHBondContact O-N 2.99Å; M167-R171 WeakPolarHBondContact O-CB 3.34Å; M167-R171 PolarHBondContact O-N 2.87Å
168Y92.9Very high83.9Confident162 Ų162100.4 Ų100.464%0.63554%0.537SS*.Hα-helixtrans-60.8-46178.2-180-100.2000111.8L164 N165 C166 L170 R171 S172L164-Y168 WeakPolarHBondContact O-CB 3.29Å; L164-Y168 PolarHBondContact O-N 3.06Å; N165-Y168 PolarHBondContact O-N 2.99Å; C166-Y168 VanDerWaalsContact C-N 3.32Å; C166-Y168 PolarHBondContact O-N 3.46Å; Y168-L170 VanDerWaalsContact C-N 3.35Å; Y168-L170 PolarHBondContact O-N 2.91Å; Y168-R171 PolarHBondContact O-N 3.26Å; Y168-S172 PolarHBondContact O-N 2.96Å; Y168-S172 PolarHBondContact O-OG 3.29Å
169K93.4Very high81.5Confident122 Ų122101.3 Ų101.353%0.5355%0.551SS.*Hα-helixtrans-59.3-43.5175.7-72174.8-175.5176.50112.1N165 C166 M167 R171 S172 N173N165-K169 WeakPolarHBondContact O-CG 3.35Å; N165-K169 PolarHBondContact O-N 3.23Å; N165-K169 VanDerWaalsContact O-N 3.08Å; C166-K169 PolarHBondContact O-N 2.88Å; M167-K169 PolarHBondContact O-N 2.87Å; K169-R171 VanDerWaalsContact C-N 3.32Å; K169-R171 PolarHBondContact O-N 3.06Å; K169-S172 PolarHBondContact O-N 2.88Å; K169-S172 PolarHBondContact O-OG 2.87Å; K169-S172 VanDerWaalsContact O-OG 3.1Å; K169-N173 PolarHBondContact O-N 3.3Å; K169-N173 VanDerWaalsContact O-N 3.12Å; K169-N173 PolarHBondContact O-ND2 2.93Å; K169-N173 VanDerWaalsContact O-ND2 3.14Å; K169-N173 PolarHBondContact O-OD1 3.2Å
170L90.9Very high79.3Confident120 Ų120104 Ų10463%0.62856%0.563SS**Hα-helixtrans-64.3-38.8177.9-69.2173.9000112C166 M167 Y168C166-L170 WeakPolarHBondContact O-CG 3.35Å; C166-L170 PolarHBondContact O-N 3.2Å; M167-L170 PolarHBondContact O-N 2.99Å; Y168-L170 VanDerWaalsContact C-N 3.35Å; Y168-L170 PolarHBondContact O-N 2.91Å
171R87.6Confident76.9Confident142 Ų142105.2 Ų105.254%0.53658%0.583SS.*Hα-helixtrans-68-41177.6-173.5177.5-180171.43.4112.3Q139 M167 Y168 K169Q139-R171 PolarHBondContact O-NH1 3.32Å; Q139-R171 VanDerWaalsContact O-NH1 3.1Å; M167-R171 WeakPolarHBondContact O-CB 3.34Å; M167-R171 PolarHBondContact O-N 2.87Å; Y168-R171 PolarHBondContact O-N 3.26Å; K169-R171 VanDerWaalsContact C-N 3.32Å; K169-R171 PolarHBondContact O-N 3.06Å
172S87.9Confident74.5Confident43 Ų43110.1 Ų110.130%0.30160%0.603SS.*Hα-helixtrans-74.3-27.8-178.160.60000113.2Y168 K169 L174 Q175Y168-S172 PolarHBondContact O-N 2.96Å; Y168-S172 PolarHBondContact O-OG 3.29Å; K169-S172 PolarHBondContact O-N 2.88Å; K169-S172 PolarHBondContact O-OG 2.87Å; K169-S172 VanDerWaalsContact O-OG 3.1Å; S172-L174 PolarHBondContact O-N 3.12Å; S172-L174 VanDerWaalsContact O-N 3.16Å; S172-Q175 PolarHBondContact O-N 3.04Å; S172-Q175 VanDerWaalsContact O-N 3.12Å
173N84.1Confident72.2Confident128 Ų128114.2 Ų114.268%0.68462%0.617SS**THydrogen-bonded Turntrans-62.3-20.4176.9-73.7-21.7000114.4K169K169-N173 PolarHBondContact O-N 3.3Å; K169-N173 VanDerWaalsContact O-N 3.12Å; K169-N173 PolarHBondContact O-ND2 2.93Å; K169-N173 VanDerWaalsContact O-ND2 3.14Å; K169-N173 PolarHBondContact O-OD1 3.2Å
174L67.1Low69.6Low149 Ų149115.3 Ų115.378%0.7863%0.634SS**THydrogen-bonded Turntrans-87.2-6.8178.3-80148.4000113.5S172 P176S172-L174 PolarHBondContact O-N 3.12Å; S172-L174 VanDerWaalsContact O-N 3.16Å; L174-P176 WeakPolarHBondContact O-CD 3.19Å
175Q59.9Low66.8Low143 Ų143120.9 Ų120.967%0.66866%0.664SS**SBendtrans-90.4110174.8-68.5-159-2.700110.8S172 G177S172-Q175 PolarHBondContact O-N 3.04Å; S172-Q175 VanDerWaalsContact O-N 3.12Å; Q175-G177 PolarHBondContact O-N 2.93Å
176P47.4Very low64.1Low138 Ų138130.9 Ų130.990%0.89670%0.697SS**THydrogen-bonded Turntrans-74.6100.6175.415.6-3.2000108.6L174L174-P176 WeakPolarHBondContact O-CD 3.19Å
177G55.3Low62.6Low70 Ų70133.6 Ų133.672%0.72271%0.705SS**THydrogen-bonded Turntrans147.4-5.4171.500000117.7Q175 T179Q175-G177 PolarHBondContact O-N 2.93Å; G177-T179 PolarHBondContact O-N 2.8Å
178A50.2Low61Low81 Ų81137 Ų13767%0.66973%0.725SS**  trans-77.492.4176.100000110.3K180A178-K180 PolarHBondContact O-N 2.85Å
179T45.4Very low59.2Low136 Ų136135.6 Ų135.683%0.83473%0.73SS**  trans-45.1132.8169.2-21.50000109.6G177 G181G177-T179 PolarHBondContact O-N 2.8Å; T179-G181 VanDerWaalsContact C-N 3.31Å; T179-G181 PolarHBondContact O-N 3.41Å
180K47.3Very low57.2Low208 Ų208136.4 Ų136.490%0.90474%0.742SS**  trans-52.191.6174-71.6178175.8179.30110.1A178 Q182A178-K180 PolarHBondContact O-N 2.85Å; K180-Q182 PolarHBondContact O-N 2.87Å
181G43.8Very low55.1Low59 Ų59137.4 Ų137.461%0.60875%0.749SS**  trans-67120.716500000107.4T179 F183T179-G181 VanDerWaalsContact C-N 3.31Å; T179-G181 PolarHBondContact O-N 3.41Å; G181-F183 PolarHBondContact O-N 3.11Å; G181-F183 VanDerWaalsContact O-N 3.16Å
182Q43.8Very low53Low194 Ų194137.1 Ų137.191%0.90776%0.763SS**  trans-52.2119.8174.7-77.8170.7-19.900109.1K180 G184K180-Q182 PolarHBondContact O-N 2.87Å; Q182-G184 PolarHBondContact O-N 2.95Å
183F49.1Very low50.5Low191 Ų191143.9 Ų143.984%0.83880%0.796SS**  trans-63.8113.7166.3-84-98.7000107.5G181G181-F183 PolarHBondContact O-N 3.11Å; G181-F183 VanDerWaalsContact O-N 3.16Å
184G40Very low47.9Very low60 Ų60145.1 Ų145.162%0.61981%0.805SS**  trans-91.2115.3161.400000107.7Q182 Y186Q182-G184 PolarHBondContact O-N 2.95Å; G184-Y186 PolarHBondContact O-N 3.23Å
185D36.1Very low46.3Very low156 Ų156144.8 Ų144.883%0.83481%0.807SS**  trans-64.2122.9167.4-68.1-38.2000108.7
186Y37Very low45Very low301 Ų301144.9 Ų144.9100%1.1882%0.819SS**  trans-135.30159-79.3-76.2000108.5G184G184-Y186 PolarHBondContact O-N 3.23Å

Retrieved 186 of 186 residues in 92.5 ms (Link to these results)

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