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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 A0A060WXP5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 187 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
1M82.9Confident94.8Very high101 Ų10163.5 Ų63.550%0.49833%0.331SS..  0132.20166.5168-87.200105.5E5 V6 L9 L150 N154M1-E5 WeakPolarHBondContact CA-OE2 3.46Å; M1-E5 WeakPolarHBondContact CB-OE2 3.47Å; M1-E5 HydrophobicContact CE-CB 4.42Å; M1-E5 HydrophobicContact CG-CB 3.85Å; M1-E5 VanDerWaalsContact CG-OE2 3.24Å; M1-E5 WeakPolarHBondContact CG-OE2 3.32Å; M1-V6 HydrophobicContact CG-CG2 3.82Å; M1-V6 HydrophobicContact SD-CG2 3.9Å; M1-L9 HydrophobicContact CE-CD1 4.16Å; M1-L9 HydrophobicContact SD-CD1 4.41Å; M1-L150 HydrophobicContact SD-CD1 4.36Å; M1-L150 HydrophobicContact SD-CD2 4.11Å; M1-L150 HydrophobicContact SD-CG 4.48Å; M1-N154 WeakPolarHBondContact CB-OD1 3.5Å; M1-N154 VanDerWaalsContact O-CG 3.23Å; M1-N154 PolarHBondContact O-ND2 2.82Å; M1-N154 PolarHBondContact O-OD1 3.12Å
2D92.1Very high95Very high85 Ų8568.3 Ų68.346%0.45535%0.348SS..  trans-78.9148.5-179-174.763.7000109.7S4 E5 V6D2-S4 PolarHBondContact O-N 2.92Å; D2-S4 VanDerWaalsContact O-N 3.12Å; D2-S4 WeakPolarHBondContact OD2-CB 3.34Å; D2-S4 PolarHBondContact OD2-N 3.48Å; D2-S4 VanDerWaalsContact OD2-N 3.08Å; D2-S4 PolarHBondContact OD2-OG 3.33Å; D2-E5 HydrophobicContact CB-CG 4.22Å; D2-E5 PolarHBondContact N-OE2 3.4Å; D2-E5 VanDerWaalsContact N-OE2 3.11Å; D2-E5 WeakPolarHBondContact O-CB 3.44Å; D2-E5 PolarHBondContact O-N 2.93Å; D2-V6 PolarHBondContact O-N 3.33Å
3P93.1Very high95.1Very high70 Ų7068.1 Ų68.146%0.45534%0.344SS..Hα-helixtrans-54-30175-28.738000113.6E5 V6 E7P3-E5 VanDerWaalsContact C-N 3.32Å; P3-E5 PolarHBondContact O-N 3.4Å; P3-V6 PolarHBondContact O-N 3.3Å; P3-E7 PolarHBondContact O-N 3.16Å
4S95.1Very high95.3Very high78 Ų7870 Ų7055%0.54536%0.361SS..Hα-helixtrans-67.2-32.1176.2-410000112.5D2 E7 F8D2-S4 PolarHBondContact O-N 2.92Å; D2-S4 VanDerWaalsContact O-N 3.12Å; D2-S4 WeakPolarHBondContact OD2-CB 3.34Å; D2-S4 PolarHBondContact OD2-N 3.48Å; D2-S4 VanDerWaalsContact OD2-N 3.08Å; D2-S4 PolarHBondContact OD2-OG 3.33Å; S4-E7 PolarHBondContact O-N 3.2Å; S4-F8 WeakPolarHBondContact O-CB 3.26Å; S4-F8 PolarHBondContact O-N 2.97Å
5E96.5Very high95.4Very high98 Ų9865.9 Ų65.946%0.45834%0.34SS..Hα-helixtrans-69.6-36.5175.1-66174.5168.200111M1 D2 P3 F8 L9M1-E5 WeakPolarHBondContact CA-OE2 3.46Å; M1-E5 WeakPolarHBondContact CB-OE2 3.47Å; M1-E5 HydrophobicContact CE-CB 4.42Å; M1-E5 HydrophobicContact CG-CB 3.85Å; M1-E5 VanDerWaalsContact CG-OE2 3.24Å; M1-E5 WeakPolarHBondContact CG-OE2 3.32Å; D2-E5 HydrophobicContact CB-CG 4.22Å; D2-E5 PolarHBondContact N-OE2 3.4Å; D2-E5 VanDerWaalsContact N-OE2 3.11Å; D2-E5 WeakPolarHBondContact O-CB 3.44Å; D2-E5 PolarHBondContact O-N 2.93Å; P3-E5 VanDerWaalsContact C-N 3.32Å; P3-E5 PolarHBondContact O-N 3.4Å; E5-F8 PolarHBondContact O-N 2.97Å; E5-L9 WeakPolarHBondContact O-CG 3.15Å; E5-L9 PolarHBondContact O-N 3.18Å; E5-L9 VanDerWaalsContact O-N 3.11Å
6V96.5Very high95.6Very high0 Ų067.5 Ų67.50%034%0.344CS..Hα-helixtrans-68.4-42175.7-1670000110.6M1 D2 P3 F8 L9 A10 Y91 E94 L150 M151 N154M1-V6 HydrophobicContact CG-CG2 3.82Å; M1-V6 HydrophobicContact SD-CG2 3.9Å; D2-V6 PolarHBondContact O-N 3.33Å; P3-V6 PolarHBondContact O-N 3.3Å; V6-F8 VanDerWaalsContact C-N 3.33Å; V6-F8 PolarHBondContact O-N 2.91Å; V6-L9 WeakPolarHBondContact O-CB 3.46Å; V6-L9 PolarHBondContact O-N 3.38Å; V6-L9 VanDerWaalsContact O-N 3.09Å; V6-A10 PolarHBondContact O-N 2.89Å; V6-Y91 HydrophobicContact CG1-CE1 4.47Å; V6-E94 WeakPolarHBondContact CG1-OE1 3.34Å; V6-L150 HydrophobicContact CG1-CB 4.3Å; V6-L150 HydrophobicContact CG1-CD2 3.97Å; V6-L150 HydrophobicContact CG1-CG 3.96Å; V6-L150 HydrophobicContact CG2-CG 4.37Å; V6-M151 HydrophobicContact CB-CE 3.73Å; V6-M151 HydrophobicContact CG1-CB 4.48Å; V6-M151 HydrophobicContact CG1-CE 3.82Å; V6-M151 HydrophobicContact CG2-CE 4.42Å; V6-N154 HydrophobicContact CG2-CB 4.32Å
7E96.9Very high95.7Very high48 Ų4863.5 Ų63.522%0.22432%0.323CS..Hα-helixtrans-58.5-44.7173.5-172.416911400111.6P3 S4 L9 A10 E11 K97 L98P3-E7 PolarHBondContact O-N 3.16Å; S4-E7 PolarHBondContact O-N 3.2Å; E7-L9 VanDerWaalsContact C-N 3.26Å; E7-L9 PolarHBondContact O-N 3.42Å; E7-A10 WeakPolarHBondContact O-CB 3.42Å; E7-A10 PolarHBondContact O-N 3.19Å; E7-A10 VanDerWaalsContact O-N 3.12Å; E7-E11 PolarHBondContact O-N 2.78Å; E7-K97 IonicContact OE2-NZ 3.37Å; E7-K97 PolarHBondContact OE2-NZ 3.47Å; E7-L98 HydrophobicContact CG-CD1 4.13Å; E7-L98 HydrophobicContact CG-CD2 4.24Å; E7-L98 HydrophobicContact CG-CG 4.43Å
8F97.3Very high95.9Very high128 Ų12863 Ų6356%0.56132%0.321SS*.Hα-helixtrans-59.9-33.8174.5175.3-100.8000113.3S4 E5 V6S4-F8 WeakPolarHBondContact O-CB 3.26Å; S4-F8 PolarHBondContact O-N 2.97Å; E5-F8 PolarHBondContact O-N 2.97Å; V6-F8 VanDerWaalsContact C-N 3.33Å; V6-F8 PolarHBondContact O-N 2.91Å
9L97.7Very high96Very high43 Ų4359.8 Ų59.823%0.22531%0.305CS..Hα-helixtrans-71-41.7173.9-68174.6000111.7M1 E5 V6 E7 E11 K12 Y91 L150M1-L9 HydrophobicContact CE-CD1 4.16Å; M1-L9 HydrophobicContact SD-CD1 4.41Å; E5-L9 WeakPolarHBondContact O-CG 3.15Å; E5-L9 PolarHBondContact O-N 3.18Å; E5-L9 VanDerWaalsContact O-N 3.11Å; V6-L9 WeakPolarHBondContact O-CB 3.46Å; V6-L9 PolarHBondContact O-N 3.38Å; V6-L9 VanDerWaalsContact O-N 3.09Å; E7-L9 VanDerWaalsContact C-N 3.26Å; E7-L9 PolarHBondContact O-N 3.42Å; L9-E11 PolarHBondContact O-N 3.05Å; L9-K12 WeakPolarHBondContact O-CB 3.4Å; L9-K12 PolarHBondContact O-N 3.19Å; L9-Y91 HydrophobicContact CB-CE1 4.13Å; L9-L150 HydrophobicContact CD1-CD2 3.79Å
10A97.6Very high96.1Very high0 Ų062 Ų620%032%0.317CS..Hα-helixtrans-62.9-30.1177.600000112.9V6 E7 K12 E13 Y91 E94V6-A10 PolarHBondContact O-N 2.89Å; E7-A10 WeakPolarHBondContact O-CB 3.42Å; E7-A10 PolarHBondContact O-N 3.19Å; E7-A10 VanDerWaalsContact O-N 3.12Å; A10-K12 PolarHBondContact O-N 3.01Å; A10-K12 VanDerWaalsContact O-N 3.08Å; A10-E13 VanDerWaalsContact O-CB 3.27Å; A10-E13 WeakPolarHBondContact O-CB 3.47Å; A10-E13 VanDerWaalsContact O-CG 3.28Å; A10-E13 WeakPolarHBondContact O-CG 3.5Å; A10-E13 PolarHBondContact O-N 3.03Å; A10-Y91 HydrophobicContact CB-CD1 3.72Å; A10-Y91 HydrophobicContact CB-CD2 4.46Å; A10-Y91 HydrophobicContact CB-CE1 4.5Å; A10-Y91 HydrophobicContact CB-CG 3.69Å; A10-E94 HydrophobicContact CB-CB 3.43Å; A10-E94 VanDerWaalsContact CB-CB 3.43Å; A10-E94 HydrophobicContact CB-CG 3.87Å
11E97.5Very high96.2Very high48 Ų4860.7 Ų60.722%0.22431%0.309CS..THydrogen-bonded Turntrans-62.8-14.1177.5-80.8-171.7173.500114.7E7 L9 E13 V46 W47 L98E7-E11 PolarHBondContact O-N 2.78Å; L9-E11 PolarHBondContact O-N 3.05Å; E11-E13 VanDerWaalsContact C-N 3.31Å; E11-V46 HydrophobicContact CG-CG1 4.45Å; E11-V46 WeakPolarHBondContact O-CB 3.38Å; E11-V46 PolarHBondContact O-N 2.7Å; E11-W47 HydrophobicContact CB-CB 4.1Å; E11-W47 HydrophobicContact CG-CB 4.45Å; E11-W47 PolarHBondContact O-N 3.07Å; E11-L98 HydrophobicContact CG-CD1 4.1Å
12K96.6Very high96.9Very high121 Ų12160.1 Ų60.153%0.52632%0.315SS..THydrogen-bonded Turntrans-79.5-15.9175.3-60.6176.5-176.7174.90113L9 A10L9-K12 WeakPolarHBondContact O-CB 3.4Å; L9-K12 PolarHBondContact O-N 3.19Å; A10-K12 PolarHBondContact O-N 3.01Å; A10-K12 VanDerWaalsContact O-N 3.08Å
13E97.2Very high97.1Very high65 Ų6559.9 Ų59.930%0.30431%0.313SS..SBendtrans-59.4150.8175.6-67-64.8122.700110.4A10 E11 P45 V46 Y91 L95A10-E13 VanDerWaalsContact O-CB 3.27Å; A10-E13 WeakPolarHBondContact O-CB 3.47Å; A10-E13 VanDerWaalsContact O-CG 3.28Å; A10-E13 WeakPolarHBondContact O-CG 3.5Å; A10-E13 PolarHBondContact O-N 3.03Å; E11-E13 VanDerWaalsContact C-N 3.31Å; E13-P45 CarbonylContact O-C 3.58Å; E13-P45 WeakPolarHBondContact O-CA 3.31Å; E13-V46 HydrophobicContact CB-CG2 4.28Å; E13-V46 VanDerWaalsContact O-CG2 3.31Å; E13-V46 WeakPolarHBondContact O-CG2 3.36Å; E13-V46 PolarHBondContact O-N 3.32Å; E13-Y91 HydrophobicContact CG-CD2 3.69Å; E13-Y91 HydrophobicContact CG-CE2 4.37Å; E13-Y91 HydrophobicContact CG-CG 4.47Å; E13-L95 HydrophobicContact CB-CD1 4.43Å; E13-L95 HydrophobicContact CB-CD2 4.07Å; E13-L95 HydrophobicContact CG-CD1 4.37Å; E13-L95 HydrophobicContact CG-CD2 4.45Å
14V96.8Very high97.3Very high95 Ų9562.8 Ų62.858%0.57633%0.325SS*.EExtended strand (participates in β ladder)trans-97.5131.8-175.7-179.40000109.4D43 V44V14-D43 HydrophobicContact CG1-CB 3.67Å; V14-V44 WeakPolarHBondContact CA-O 3.48Å
15V97.4Very high97.3Very high8 Ų864.5 Ų64.55%0.04832%0.323CS..EExtended strand (participates in β ladder)trans-129.6154174.9-67.90000110.6V44 V46 A49V15-V44 PolarHBondContact N-O 3.4Å; V15-V44 PolarHBondContact O-N 3.37Å; V15-V44 VanDerWaalsContact O-O 3.05Å; V15-V46 HydrophobicContact CB-CG2 4.29Å; V15-V46 HydrophobicContact CG1-CG2 3.53Å; V15-V46 HydrophobicContact CG2-CG2 3.83Å; V15-A49 HydrophobicContact CG2-CB 3.51Å
16K98Very high97.2Very high92 Ų9262.7 Ų62.740%0.432%0.316SS..EExtended strand (participates in β ladder)trans-89.8131.7179.7-169.8169.1-72.3170.10110.3P41 D43 V61K16-P41 HydrophobicContact CD-CB 3.82Å; K16-P41 HydrophobicContact CG-CB 3.86Å; K16-D43 VanDerWaalsContact CE-OD1 3.23Å; K16-D43 WeakPolarHBondContact CE-OD1 3.37Å; K16-V61 HydrophobicContact CB-CB 4.19Å; K16-V61 HydrophobicContact CG-CB 4.44Å; K16-V61 HydrophobicContact CG-CG2 4.37Å; K16-V61 WeakPolarHBondContact O-CB 3.36Å; K16-V61 PolarHBondContact O-N 3.04Å
17I98.3Very high97.2Very high0 Ų070.5 Ų70.50%035%0.346CS..EExtended strand (participates in β ladder)trans-124.4157.1173.969168.3000110.6F36 P41 V42 V44 A49 L52 C58 R59 I60I17-F36 HydrophobicContact CD1-CE1 4.45Å; I17-P41 CarbonylContact O-C 3.56Å; I17-P41 VanDerWaalsContact O-CA 3.32Å; I17-P41 WeakPolarHBondContact O-CA 3.41Å; I17-V42 HydrophobicContact CD1-CG1 4.24Å; I17-V42 HydrophobicContact CG1-CG1 3.68Å; I17-V42 PolarHBondContact N-O 3.37Å; I17-V42 PolarHBondContact O-N 3.5Å; I17-V44 HydrophobicContact CB-CG2 4.47Å; I17-V44 HydrophobicContact CD1-CG1 4.18Å; I17-V44 HydrophobicContact CD1-CG2 3.79Å; I17-V44 HydrophobicContact CG1-CG1 4.39Å; I17-V44 HydrophobicContact CG1-CG2 3.87Å; I17-V44 HydrophobicContact CG2-CG2 3.83Å; I17-A49 HydrophobicContact CG2-CB 3.65Å; I17-L52 HydrophobicContact CD1-CD1 3.61Å; I17-C58 HydrophobicContact CB-CB 4.14Å; I17-C58 HydrophobicContact CD1-CB 3.9Å; I17-C58 HydrophobicContact CG1-CB 4.45Å; I17-R59 CarbonylContact C-O 3.4Å; I17-R59 WeakPolarHBondContact CA-O 3.35Å; I17-I60 HydrophobicContact CG2-CG1 4.24Å
18I98.3Very high97.1Very high54 Ų5471.6 Ų71.628%0.27735%0.354SS..EExtended strand (participates in β ladder)trans-113.1105.4168.3-58.5172.8000106.9P41 C58 R59 V61I18-P41 HydrophobicContact CG1-CB 4.47Å; I18-P41 HydrophobicContact CG1-CG 4.3Å; I18-C58 CarbonylContact O-C 3.56Å; I18-C58 VanDerWaalsContact O-CA 3.27Å; I18-C58 WeakPolarHBondContact O-CA 3.33Å; I18-R59 PolarHBondContact N-O 3.48Å; I18-R59 PolarHBondContact O-N 3.42Å; I18-V61 HydrophobicContact CD1-CG2 3.98Å; I18-V61 HydrophobicContact CG1-CG2 3.93Å
19P98.3Very high97.1Very high2 Ų274.5 Ų74.51%0.01337%0.373CS..EExtended strand (participates in β ladder)trans-76.7157.4-179.633.1-31.9000111F21 F36 N37 P38 G39 L40 V42 K57P19-F21 HydrophobicContact CB-CD1 3.88Å; P19-F21 HydrophobicContact CB-CE1 3.64Å; P19-F21 HydrophobicContact CB-CZ 4.28Å; P19-F36 HydrophobicContact CB-CD1 4.39Å; P19-F36 HydrophobicContact CG-CB 4.28Å; P19-F36 HydrophobicContact CG-CD1 4.36Å; P19-N37 WeakPolarHBondContact CG-O 3.38Å; P19-P38 WeakPolarHBondContact O-CA 3.43Å; P19-G39 PolarHBondContact O-N 3.39Å; P19-L40 WeakPolarHBondContact CD-O 3.36Å; P19-V42 HydrophobicContact CG-CG1 4.26Å; P19-K57 WeakPolarHBondContact CA-O 3.36Å
20N97.6Very high96.8Very high103 Ų10376.4 Ų76.455%0.55140%0.403SS*.SBendtrans-112.214.8172.665.96.5000112.8Q56 K57N20-Q56 PolarHBondContact ND2-O 3.43Å; N20-K57 PolarHBondContact N-O 3Å; N20-K57 VanDerWaalsContact OD1-C 3.23Å; N20-K57 WeakPolarHBondContact OD1-CA 3.45Å; N20-K57 PolarHBondContact OD1-O 3.42Å
21F97.8Very high96.6Very high36 Ų3678 Ų7816%0.15842%0.419CS..SBendtrans-129.3158.8-179.468-83.8000110.5P19 L23 F36 P38 L52 K57P19-F21 HydrophobicContact CB-CD1 3.88Å; P19-F21 HydrophobicContact CB-CE1 3.64Å; P19-F21 HydrophobicContact CB-CZ 4.28Å; F21-L23 HydrophobicContact CD2-CB 3.86Å; F21-L23 HydrophobicContact CE2-CB 3.64Å; F21-L23 HydrophobicContact CE2-CD2 3.98Å; F21-L23 HydrophobicContact CE2-CG 4.49Å; F21-F36 HydrophobicContact CD2-CB 4.31Å; F21-F36 HydrophobicContact CE2-CB 3.69Å; F21-F36 HydrophobicContact CE2-CD1 4.28Å; F21-F36 HydrophobicContact CE2-CD2 4.24Å; F21-F36 AromaticContact CE2-CG 3.81Å; F21-F36 HydrophobicContact CE2-CG 3.81Å; F21-F36 HydrophobicContact CZ-CB 3.98Å; F21-F36 AromaticContact CZ-CD1 3.78Å; F21-F36 HydrophobicContact CZ-CD1 3.78Å; F21-F36 HydrophobicContact CZ-CD2 4.44Å; F21-F36 HydrophobicContact CZ-CE1 4.41Å; F21-F36 AromaticContact CZ-CG 3.8Å; F21-F36 HydrophobicContact CZ-CG 3.8Å; F21-P38 WeakPolarHBondContact O-CD 3.45Å; F21-L52 HydrophobicContact CE1-CD1 4.26Å; F21-L52 HydrophobicContact CE1-CD2 3.99Å; F21-L52 HydrophobicContact CZ-CD1 4.23Å; F21-L52 HydrophobicContact CZ-CD2 4.07Å; F21-K57 HydrophobicContact CD1-CB 3.88Å; F21-K57 HydrophobicContact CD1-CD 4.21Å; F21-K57 HydrophobicContact CD1-CG 4.45Å; F21-K57 WeakPolarHBondContact CD1-O 3.44Å; F21-K57 HydrophobicContact CE1-CB 4.03Å
22S97.7Very high96.5Very high89 Ų8980.3 Ų80.362%0.62243%0.433SS*.  trans-100.9130.4174-164.10000109.6F36S22-F36 CarbonylContact C-O 3.47Å; S22-F36 VanDerWaalsContact CA-O 3.28Å; S22-F36 WeakPolarHBondContact CA-O 3.44Å
23L97.1Very high96.4Very high79 Ų7975.5 Ų75.541%0.41441%0.413SS..BIsolated β-bridgetrans-155.4136.8173.1-174.664.1000110F21 I26 F36F21-L23 HydrophobicContact CD2-CB 3.86Å; F21-L23 HydrophobicContact CE2-CB 3.64Å; F21-L23 HydrophobicContact CE2-CD2 3.98Å; F21-L23 HydrophobicContact CE2-CG 4.49Å; L23-I26 HydrophobicContact CD2-CD1 3.67Å; L23-I26 HydrophobicContact CD2-CG1 4.09Å; L23-F36 HydrophobicContact CB-CB 4.11Å; L23-F36 HydrophobicContact CB-CD2 4.03Å; L23-F36 HydrophobicContact CB-CG 4.46Å; L23-F36 HydrophobicContact CD2-CD2 4.16Å; L23-F36 HydrophobicContact CG-CD2 4.37Å; L23-F36 PolarHBondContact N-O 3.38Å; L23-F36 PolarHBondContact O-N 2.85Å
24D96.4Very high96.2Very high132 Ų13273.5 Ų73.571%0.70641%0.41SS*.  trans-67.8175.9175.4-67.7-36.3000112I26D24-I26 PolarHBondContact O-N 2.92Å
25K95.6Very high96.2Very high114 Ų11471.5 Ų71.550%0.49640%0.399SS..  trans-57.1135.7178.2-71.2-174178.9-174.70111.6Y27 L33 P35K25-Y27 HydrophobicContact CB-CE2 4.35Å; K25-L33 CarbonylContact C-O 3.56Å; K25-L33 WeakPolarHBondContact CA-O 3.23Å; K25-P35 HydrophobicContact CG-CB 4.49Å
26I95.4Very high96.2Very high60 Ų6071.2 Ų71.231%0.30840%0.397SS..EExtended strand (participates in β ladder)trans-105.9124.7173-48.6174.1000107.7L23 D24 L28 D32 L33 F36L23-I26 HydrophobicContact CD2-CD1 3.67Å; L23-I26 HydrophobicContact CD2-CG1 4.09Å; D24-I26 PolarHBondContact O-N 2.92Å; I26-L28 HydrophobicContact CG2-CD2 3.76Å; I26-L28 HydrophobicContact CG2-CG 4.27Å; I26-D32 CarbonylContact O-C 3.6Å; I26-D32 WeakPolarHBondContact O-CA 3.21Å; I26-L33 PolarHBondContact N-O 3.47Å; I26-L33 PolarHBondContact O-N 3.07Å; I26-F36 HydrophobicContact CD1-CE2 3.81Å; I26-F36 HydrophobicContact CG1-CE2 4.24Å
27Y96.3Very high96.2Very high163 Ų16370.1 Ų70.164%0.63940%0.396SS*.EExtended strand (participates in β ladder)trans-94.4109.8176.3-57.2-86.7000108.9K25 D32K25-Y27 HydrophobicContact CB-CE2 4.35Å; Y27-D32 HydrophobicContact CD1-CB 4.44Å; Y27-D32 WeakPolarHBondContact CD1-OD1 3.39Å; Y27-D32 WeakPolarHBondContact CD1-OD2 3.33Å; Y27-D32 WeakPolarHBondContact CE1-OD2 3.15Å
28L95.1Very high96.2Very high72 Ų7273.6 Ų73.638%0.37742%0.418SS..EExtended strand (participates in β ladder)trans-103.8161.7175.3-52.4176.6000110.4I26 G30 G31 L33 W47I26-L28 HydrophobicContact CG2-CD2 3.76Å; I26-L28 HydrophobicContact CG2-CG 4.27Å; L28-G30 PolarHBondContact O-N 3.38Å; L28-G31 WeakPolarHBondContact CA-O 3.48Å; L28-G31 WeakPolarHBondContact CB-O 3.34Å; L28-G31 PolarHBondContact N-O 3.23Å; L28-G31 PolarHBondContact O-N 3.3Å; L28-G31 VanDerWaalsContact O-N 3.09Å; L28-L33 HydrophobicContact CD1-CD1 3.51Å; L28-L33 HydrophobicContact CD1-CG 4.06Å; L28-L33 HydrophobicContact CG-CD1 4.5Å; L28-W47 HydrophobicContact CD1-CH2 4.27Å; L28-W47 HydrophobicContact CD1-CZ2 4.17Å
29I96.4Very high96.1Very high188 Ų18873.4 Ų73.496%0.96443%0.43SS*.THydrogen-bonded Turntrans-57.3-35173.8-56.7171.6000111
30G91.6Very high96.1Very high83 Ų8378.1 Ų78.186%0.85645%0.454SS*.THydrogen-bonded Turntrans-89.28.3179.900000115.4L28L28-G30 PolarHBondContact O-N 3.38Å
31G93.1Very high96.1Very high34 Ų3477 Ų7735%0.35145%0.452SS..EExtended strand (participates in β ladder)trans125.9177.3-179.400000113.9L28L28-G31 WeakPolarHBondContact CA-O 3.48Å; L28-G31 WeakPolarHBondContact CB-O 3.34Å; L28-G31 PolarHBondContact N-O 3.23Å; L28-G31 PolarHBondContact O-N 3.3Å; L28-G31 VanDerWaalsContact O-N 3.09Å
32D95.2Very high96.1Very high97 Ų9776.3 Ų76.352%0.51945%0.451SS..EExtended strand (participates in β ladder)trans-97.7140.5-174.5-61.3-10.8000111.2I26 Y27I26-D32 CarbonylContact O-C 3.6Å; I26-D32 WeakPolarHBondContact O-CA 3.21Å; Y27-D32 HydrophobicContact CD1-CB 4.44Å; Y27-D32 WeakPolarHBondContact CD1-OD1 3.39Å; Y27-D32 WeakPolarHBondContact CD1-OD2 3.33Å; Y27-D32 WeakPolarHBondContact CE1-OD2 3.15Å
33L95.6Very high96.1Very high20 Ų2076.4 Ų76.411%0.10544%0.444CS..EExtended strand (participates in β ladder)trans-121.3145177.7-60.2-178.9000111.5K25 I26 L28 F36 P45 L48K25-L33 CarbonylContact C-O 3.56Å; K25-L33 WeakPolarHBondContact CA-O 3.23Å; I26-L33 PolarHBondContact N-O 3.47Å; I26-L33 PolarHBondContact O-N 3.07Å; L28-L33 HydrophobicContact CD1-CD1 3.51Å; L28-L33 HydrophobicContact CD1-CG 4.06Å; L28-L33 HydrophobicContact CG-CD1 4.5Å; L33-F36 HydrophobicContact CB-CE2 4.35Å; L33-F36 HydrophobicContact CB-CZ 4.14Å; L33-P45 HydrophobicContact CD2-CG 4.42Å; L33-L48 HydrophobicContact CD1-CD2 3.42Å; L33-L48 VanDerWaalsContact CD1-CD2 3.42Å
34G92.6Very high96.1Very high22 Ų2272.7 Ų72.723%0.22743%0.425CS..  trans85.2-166-179.700000113.9
35P96.4Very high96.2Very high54 Ų5467.5 Ų67.535%0.35140%0.399SS..  cis-65.7148.76.829.4-36.2000112.6K25K25-P35 HydrophobicContact CG-CB 4.49Å
36F98.1Very high96.3Very high2 Ų262 Ų621%0.00938%0.375CS..BIsolated β-bridgetrans-92.3106174.5-60.8-89.3000108.5I17 P19 F21 S22 L23 I26 L33 V42 V44 L48I17-F36 HydrophobicContact CD1-CE1 4.45Å; P19-F36 HydrophobicContact CB-CD1 4.39Å; P19-F36 HydrophobicContact CG-CB 4.28Å; P19-F36 HydrophobicContact CG-CD1 4.36Å; F21-F36 HydrophobicContact CD2-CB 4.31Å; F21-F36 HydrophobicContact CE2-CB 3.69Å; F21-F36 HydrophobicContact CE2-CD1 4.28Å; F21-F36 HydrophobicContact CE2-CD2 4.24Å; F21-F36 AromaticContact CE2-CG 3.81Å; F21-F36 HydrophobicContact CE2-CG 3.81Å; F21-F36 HydrophobicContact CZ-CB 3.98Å; F21-F36 AromaticContact CZ-CD1 3.78Å; F21-F36 HydrophobicContact CZ-CD1 3.78Å; F21-F36 HydrophobicContact CZ-CD2 4.44Å; F21-F36 HydrophobicContact CZ-CE1 4.41Å; F21-F36 AromaticContact CZ-CG 3.8Å; F21-F36 HydrophobicContact CZ-CG 3.8Å; S22-F36 CarbonylContact C-O 3.47Å; S22-F36 VanDerWaalsContact CA-O 3.28Å; S22-F36 WeakPolarHBondContact CA-O 3.44Å; L23-F36 HydrophobicContact CB-CB 4.11Å; L23-F36 HydrophobicContact CB-CD2 4.03Å; L23-F36 HydrophobicContact CB-CG 4.46Å; L23-F36 HydrophobicContact CD2-CD2 4.16Å; L23-F36 HydrophobicContact CG-CD2 4.37Å; L23-F36 PolarHBondContact N-O 3.38Å; L23-F36 PolarHBondContact O-N 2.85Å; I26-F36 HydrophobicContact CD1-CE2 3.81Å; I26-F36 HydrophobicContact CG1-CE2 4.24Å; L33-F36 HydrophobicContact CB-CE2 4.35Å; L33-F36 HydrophobicContact CB-CZ 4.14Å; F36-V42 HydrophobicContact CD1-CG1 3.83Å; F36-V42 HydrophobicContact CE1-CG1 3.98Å; F36-V44 HydrophobicContact CE1-CG1 3.75Å; F36-V44 HydrophobicContact CZ-CG1 4.08Å; F36-L48 HydrophobicContact CZ-CD2 4.25Å
37N97.6Very high96.4Very high69 Ų6964.6 Ų64.637%0.36938%0.381SS..  trans-107.7128.3176.3-68.9-47.7000109.3P19 G39 L40P19-N37 WeakPolarHBondContact CG-O 3.38Å; N37-G39 PolarHBondContact O-N 3.01Å; N37-L40 HydrophobicContact CB-CB 4.17Å; N37-L40 HydrophobicContact CB-CD1 3.81Å; N37-L40 HydrophobicContact CB-CG 4.22Å; N37-L40 PolarHBondContact O-N 3.38Å; N37-L40 VanDerWaalsContact O-N 3.12Å
38P97.9Very high96.4Very high73 Ų7357.9 Ų57.947%0.47436%0.356SS..THydrogen-bonded Turntrans-52.9130.6-179.5-25.231.7000112.4P19 F21 L40P19-P38 WeakPolarHBondContact O-CA 3.43Å; F21-P38 WeakPolarHBondContact O-CD 3.45Å; P38-L40 PolarHBondContact O-N 3.26Å
39G96.8Very high96.6Very high50 Ų5054.5 Ų54.552%0.51534%0.338SS..THydrogen-bonded Turntrans77.9-4.8176.900000115.7P19 N37P19-G39 PolarHBondContact O-N 3.39Å; N37-G39 PolarHBondContact O-N 3.01Å
40L97.8Very high96.6Very high100 Ų10046 Ų4652%0.52429%0.294SS..SBendtrans-100.6132.7176.8-63.5-175.8000111.2P19 N37 P38P19-L40 WeakPolarHBondContact CD-O 3.36Å; N37-L40 HydrophobicContact CB-CB 4.17Å; N37-L40 HydrophobicContact CB-CD1 3.81Å; N37-L40 HydrophobicContact CB-CG 4.22Å; N37-L40 PolarHBondContact O-N 3.38Å; N37-L40 VanDerWaalsContact O-N 3.12Å; P38-L40 PolarHBondContact O-N 3.26Å
41P97.7Very high96.9Very high79 Ų7944.8 Ų44.851%0.51327%0.268SS..  trans-62.5141.1177.6-19.930.8000112.7K16 I17 I18K16-P41 HydrophobicContact CD-CB 3.82Å; K16-P41 HydrophobicContact CG-CB 3.86Å; I17-P41 CarbonylContact O-C 3.56Å; I17-P41 VanDerWaalsContact O-CA 3.32Å; I17-P41 WeakPolarHBondContact O-CA 3.41Å; I18-P41 HydrophobicContact CG1-CB 4.47Å; I18-P41 HydrophobicContact CG1-CG 4.3Å
42V97.7Very high97.1Very high22 Ų2243.9 Ų43.913%0.13326%0.255CS..EExtended strand (participates in β ladder)trans-141.7141.2174.763.70000110.1I17 P19 F36 V44I17-V42 HydrophobicContact CD1-CG1 4.24Å; I17-V42 HydrophobicContact CG1-CG1 3.68Å; I17-V42 PolarHBondContact N-O 3.37Å; I17-V42 PolarHBondContact O-N 3.5Å; P19-V42 HydrophobicContact CG-CG1 4.26Å; F36-V42 HydrophobicContact CD1-CG1 3.83Å; F36-V42 HydrophobicContact CE1-CG1 3.98Å; V42-V44 HydrophobicContact CG1-CG1 4.35Å
43D97.5Very high97.3Very high91 Ų9140.7 Ų40.749%0.48724%0.237SC..EExtended strand (participates in β ladder)trans-86.6128.8177.8-65.3-40.7000110V14 K16V14-D43 HydrophobicContact CG1-CB 3.67Å; K16-D43 VanDerWaalsContact CE-OD1 3.23Å; K16-D43 WeakPolarHBondContact CE-OD1 3.37Å
44V97.6Very high97.3Very high1 Ų145.5 Ų45.51%0.00626%0.259CS..EExtended strand (participates in β ladder)trans-141.3156.6-180-630000110.9V14 V15 I17 F36 V42 L48 A49V14-V44 WeakPolarHBondContact CA-O 3.48Å; V15-V44 PolarHBondContact N-O 3.4Å; V15-V44 PolarHBondContact O-N 3.37Å; V15-V44 VanDerWaalsContact O-O 3.05Å; I17-V44 HydrophobicContact CB-CG2 4.47Å; I17-V44 HydrophobicContact CD1-CG1 4.18Å; I17-V44 HydrophobicContact CD1-CG2 3.79Å; I17-V44 HydrophobicContact CG1-CG1 4.39Å; I17-V44 HydrophobicContact CG1-CG2 3.87Å; I17-V44 HydrophobicContact CG2-CG2 3.83Å; F36-V44 HydrophobicContact CE1-CG1 3.75Å; F36-V44 HydrophobicContact CZ-CG1 4.08Å; V42-V44 HydrophobicContact CG1-CG1 4.35Å; V44-L48 HydrophobicContact CB-CD2 4.23Å; V44-L48 HydrophobicContact CG1-CD2 4.16Å; V44-A49 HydrophobicContact CG2-CB 3.84Å
45P97.8Very high97.5Very high23 Ų2352.1 Ų52.115%0.14928%0.277CS..EExtended strand (participates in β ladder)trans-59.4147.9169-24.234.5000112.4E13 L33 W47 L48 A49E13-P45 CarbonylContact O-C 3.58Å; E13-P45 WeakPolarHBondContact O-CA 3.31Å; L33-P45 HydrophobicContact CD2-CG 4.42Å; P45-W47 VanDerWaalsContact C-N 3.33Å; P45-W47 VanDerWaalsContact CB-CD1 3.48Å; P45-W47 HydrophobicContact CB-CG 4.28Å; P45-W47 HydrophobicContact CG-CZ2 4.46Å; P45-W47 PolarHBondContact O-N 2.93Å; P45-L48 PolarHBondContact O-N 3.34Å; P45-A49 PolarHBondContact O-N 3.05Å
46V98Very high97.6Very high0 Ų057.3 Ų57.30%030%0.297CS..Hα-helixtrans-56.1-43.4-179.8166.70000112.1E11 E13 V15 L48 A49 L50 L95 L98E11-V46 HydrophobicContact CG-CG1 4.45Å; E11-V46 WeakPolarHBondContact O-CB 3.38Å; E11-V46 PolarHBondContact O-N 2.7Å; E13-V46 HydrophobicContact CB-CG2 4.28Å; E13-V46 VanDerWaalsContact O-CG2 3.31Å; E13-V46 WeakPolarHBondContact O-CG2 3.36Å; E13-V46 PolarHBondContact O-N 3.32Å; V15-V46 HydrophobicContact CB-CG2 4.29Å; V15-V46 HydrophobicContact CG1-CG2 3.53Å; V15-V46 HydrophobicContact CG2-CG2 3.83Å; V46-L48 PolarHBondContact O-N 2.99Å; V46-A49 WeakPolarHBondContact O-CB 3.39Å; V46-A49 PolarHBondContact O-N 2.79Å; V46-A49 VanDerWaalsContact O-N 3.12Å; V46-L50 HydrophobicContact CG1-CD1 3.72Å; V46-L50 HydrophobicContact CG1-CG 4.01Å; V46-L50 VanDerWaalsContact O-CG 3.31Å; V46-L50 WeakPolarHBondContact O-CG 3.49Å; V46-L50 PolarHBondContact O-N 3.48Å; V46-L95 HydrophobicContact CG2-CD2 3.69Å; V46-L98 HydrophobicContact CG1-CD1 4.11Å
47W97.4Very high97.5Very high113 Ų11361.7 Ų61.743%0.42832%0.316SS..Hα-helixtrans-55.6-37.4177.763.4-96.5000112.6E11 L28 P45 N51E11-W47 HydrophobicContact CB-CB 4.1Å; E11-W47 HydrophobicContact CG-CB 4.45Å; E11-W47 PolarHBondContact O-N 3.07Å; L28-W47 HydrophobicContact CD1-CH2 4.27Å; L28-W47 HydrophobicContact CD1-CZ2 4.17Å; P45-W47 VanDerWaalsContact C-N 3.33Å; P45-W47 VanDerWaalsContact CB-CD1 3.48Å; P45-W47 HydrophobicContact CB-CG 4.28Å; P45-W47 HydrophobicContact CG-CZ2 4.46Å; P45-W47 PolarHBondContact O-N 2.93Å; W47-N51 WeakPolarHBondContact O-CB 3.28Å; W47-N51 PolarHBondContact O-N 2.97Å
48L97.6Very high97.6Very high23 Ų2358.9 Ų58.912%0.1230%0.301CS..Hα-helixtrans-76.9-42.3178.3-177.561.7000111L33 F36 V44 P45 V46 L50 N51 L52L33-L48 HydrophobicContact CD1-CD2 3.42Å; L33-L48 VanDerWaalsContact CD1-CD2 3.42Å; F36-L48 HydrophobicContact CZ-CD2 4.25Å; V44-L48 HydrophobicContact CB-CD2 4.23Å; V44-L48 HydrophobicContact CG1-CD2 4.16Å; P45-L48 PolarHBondContact O-N 3.34Å; V46-L48 PolarHBondContact O-N 2.99Å; L48-L50 VanDerWaalsContact C-N 3.32Å; L48-L50 PolarHBondContact O-N 3.33Å; L48-N51 PolarHBondContact O-N 3.06Å; L48-L52 HydrophobicContact CD1-CD1 4.2Å; L48-L52 HydrophobicContact CD1-CG 4.1Å; L48-L52 HydrophobicContact CD2-CD1 4.49Å; L48-L52 HydrophobicContact CG-CD1 3.95Å; L48-L52 HydrophobicContact CG-CG 4.29Å; L48-L52 WeakPolarHBondContact O-CB 3.4Å; L48-L52 WeakPolarHBondContact O-CG 3.42Å; L48-L52 PolarHBondContact O-N 3.17Å
49A98.1Very high97.6Very high0 Ų062.3 Ų62.30%031%0.305CS..Hα-helixtrans-55.8-47.6176.200000111.5V15 I17 V44 P45 V46 L52 K53 I60V15-A49 HydrophobicContact CG2-CB 3.51Å; I17-A49 HydrophobicContact CG2-CB 3.65Å; V44-A49 HydrophobicContact CG2-CB 3.84Å; P45-A49 PolarHBondContact O-N 3.05Å; V46-A49 WeakPolarHBondContact O-CB 3.39Å; V46-A49 PolarHBondContact O-N 2.79Å; V46-A49 VanDerWaalsContact O-N 3.12Å; A49-L52 PolarHBondContact O-N 3.05Å; A49-K53 VanDerWaalsContact O-CB 3.3Å; A49-K53 WeakPolarHBondContact O-CB 3.23Å; A49-K53 PolarHBondContact O-N 3.37Å; A49-I60 HydrophobicContact CB-CD1 4.22Å
50L97.7Very high97.6Very high9 Ų960 Ų605%0.04728%0.28CS..Hα-helixtrans-64.4-43.2178.3-64.6177.1000111.6V46 L48 L52 K53 Q54 I60 L98 H102V46-L50 HydrophobicContact CG1-CD1 3.72Å; V46-L50 HydrophobicContact CG1-CG 4.01Å; V46-L50 VanDerWaalsContact O-CG 3.31Å; V46-L50 WeakPolarHBondContact O-CG 3.49Å; V46-L50 PolarHBondContact O-N 3.48Å; L48-L50 VanDerWaalsContact C-N 3.32Å; L48-L50 PolarHBondContact O-N 3.33Å; L50-L52 PolarHBondContact O-N 3.2Å; L50-K53 PolarHBondContact O-N 3.44Å; L50-Q54 WeakPolarHBondContact O-CG 3.43Å; L50-Q54 PolarHBondContact O-N 3.33Å; L50-I60 HydrophobicContact CD2-CD1 4.3Å; L50-L98 HydrophobicContact CD1-CB 4.03Å; L50-L98 HydrophobicContact CD1-CD1 4.24Å; L50-L98 HydrophobicContact CD1-CD2 3.99Å; L50-L98 HydrophobicContact CD1-CG 4.32Å; L50-H102 HydrophobicContact CD2-CB 3.79Å
51N97.7Very high97.6Very high58 Ų5857.3 Ų57.331%0.3127%0.268SS..Hα-helixtrans-61.4-43.6177.2-169.7-93.9000112.3W47 L48 R55W47-N51 WeakPolarHBondContact O-CB 3.28Å; W47-N51 PolarHBondContact O-N 2.97Å; L48-N51 PolarHBondContact O-N 3.06Å; N51-R55 WeakPolarHBondContact O-CG 3.44Å; N51-R55 PolarHBondContact O-N 3.07Å; N51-R55 PolarHBondContact OD1-NE 3.49Å
52L97.5Very high97.5Very high15 Ų1555.5 Ų55.58%0.07926%0.257CS..Hα-helixtrans-67.2-39.1176.9-70.2174.5000111.7I17 F21 L48 A49 L50 R55 Q56 K57 C58I17-L52 HydrophobicContact CD1-CD1 3.61Å; F21-L52 HydrophobicContact CE1-CD1 4.26Å; F21-L52 HydrophobicContact CE1-CD2 3.99Å; F21-L52 HydrophobicContact CZ-CD1 4.23Å; F21-L52 HydrophobicContact CZ-CD2 4.07Å; L48-L52 HydrophobicContact CD1-CD1 4.2Å; L48-L52 HydrophobicContact CD1-CG 4.1Å; L48-L52 HydrophobicContact CD2-CD1 4.49Å; L48-L52 HydrophobicContact CG-CD1 3.95Å; L48-L52 HydrophobicContact CG-CG 4.29Å; L48-L52 WeakPolarHBondContact O-CB 3.4Å; L48-L52 WeakPolarHBondContact O-CG 3.42Å; L48-L52 PolarHBondContact O-N 3.17Å; A49-L52 PolarHBondContact O-N 3.05Å; L50-L52 PolarHBondContact O-N 3.2Å; L52-R55 CarbonylContact O-C 3.57Å; L52-R55 PolarHBondContact O-N 3.14Å; L52-Q56 PolarHBondContact O-N 2.84Å; L52-K57 HydrophobicContact CB-CB 4.38Å; L52-K57 HydrophobicContact CD2-CB 4.11Å; L52-K57 HydrophobicContact CD2-CD 4.38Å; L52-K57 PolarHBondContact O-N 3.49Å; L52-C58 HydrophobicContact CB-CB 4.34Å; L52-C58 VanDerWaalsContact CB-SG 3.59Å
53K97.5Very high97.5Very high31 Ų3155.7 Ų55.714%0.13526%0.258CS..Hα-helixtrans-63.4-45.6177.2175.661.6-179.5-171.40112A49 L50 R55 Q56 C58 I60 H102 A103 D105 N106A49-K53 VanDerWaalsContact O-CB 3.3Å; A49-K53 WeakPolarHBondContact O-CB 3.23Å; A49-K53 PolarHBondContact O-N 3.37Å; L50-K53 PolarHBondContact O-N 3.44Å; K53-R55 PolarHBondContact O-N 3.45Å; K53-Q56 PolarHBondContact O-N 3.42Å; K53-C58 PolarHBondContact N-SG 3.08Å; K53-I60 HydrophobicContact CB-CD1 3.93Å; K53-I60 HydrophobicContact CB-CG1 4.22Å; K53-I60 HydrophobicContact CG-CD1 4.16Å; K53-I60 HydrophobicContact CG-CG1 4.42Å; K53-H102 WeakPolarHBondContact CE-O 3.27Å; K53-H102 WeakPolarHBondContact CG-O 3.39Å; K53-A103 HydrophobicContact CD-CB 4.46Å; K53-A103 HydrophobicContact CG-CB 4.37Å; K53-D105 WeakPolarHBondContact CE-OD1 3.23Å; K53-D105 IonicContact NZ-OD1 2.8Å; K53-D105 PolarHBondContact NZ-OD1 3.44Å; K53-D105 IonicContact NZ-OD2 2.76Å; K53-D105 PolarHBondContact NZ-OD2 2.99Å; K53-N106 PolarHBondContact NZ-OD1 3.03Å
54Q96.6Very high97.4Very high120 Ų12059.2 Ų59.256%0.56127%0.272SS*.Hα-helixtrans-59-29.6175.7-72.2175.29.700112.4L50 Q56 H102L50-Q54 WeakPolarHBondContact O-CG 3.43Å; L50-Q54 PolarHBondContact O-N 3.33Å; Q54-Q56 VanDerWaalsContact C-N 3.33Å; Q54-H102 PolarHBondContact NE2-CE1 3.29Å
55R97.3Very high97.3Very high161 Ų16161 Ų6161%0.60828%0.279SS*.THydrogen-bonded Turntrans-89.57.3176-64.8173.3177-171.5-1.1113.7N51 L52 K53 K57N51-R55 WeakPolarHBondContact O-CG 3.44Å; N51-R55 PolarHBondContact O-N 3.07Å; N51-R55 PolarHBondContact OD1-NE 3.49Å; L52-R55 CarbonylContact O-C 3.57Å; L52-R55 PolarHBondContact O-N 3.14Å; K53-R55 PolarHBondContact O-N 3.45Å; R55-K57 HydrophobicContact CB-CG 4.18Å; R55-K57 PolarHBondContact O-N 3.3Å
56Q97Very high97.3Very high164 Ų16460.3 Ų60.377%0.76627%0.273SS*.THydrogen-bonded Turntrans56.531.3-177.6-54.7176.30.300113.4N20 L52 K53 Q54N20-Q56 PolarHBondContact ND2-O 3.43Å; L52-Q56 PolarHBondContact O-N 2.84Å; K53-Q56 PolarHBondContact O-N 3.42Å; Q54-Q56 VanDerWaalsContact C-N 3.33Å
57K97.8Very high97.2Very high93 Ų9363.4 Ų63.440%0.40429%0.29SS..  trans-98.8-3.9-177.3-73.2-161.6174.8-170.50114.8P19 N20 F21 L52 R55P19-K57 WeakPolarHBondContact CA-O 3.36Å; N20-K57 PolarHBondContact N-O 3Å; N20-K57 VanDerWaalsContact OD1-C 3.23Å; N20-K57 WeakPolarHBondContact OD1-CA 3.45Å; N20-K57 PolarHBondContact OD1-O 3.42Å; F21-K57 HydrophobicContact CD1-CB 3.88Å; F21-K57 HydrophobicContact CD1-CD 4.21Å; F21-K57 HydrophobicContact CD1-CG 4.45Å; F21-K57 WeakPolarHBondContact CD1-O 3.44Å; F21-K57 HydrophobicContact CE1-CB 4.03Å; L52-K57 HydrophobicContact CB-CB 4.38Å; L52-K57 HydrophobicContact CD2-CB 4.11Å; L52-K57 HydrophobicContact CD2-CD 4.38Å; L52-K57 PolarHBondContact O-N 3.49Å; R55-K57 HydrophobicContact CB-CG 4.18Å; R55-K57 PolarHBondContact O-N 3.3Å
58C97.8Very high97.2Very high10 Ų1058.4 Ų58.47%0.06827%0.272CS..EExtended strand (participates in β ladder)trans-153.3162.7176.468.70000111.7I17 I18 L52 K53I17-C58 HydrophobicContact CB-CB 4.14Å; I17-C58 HydrophobicContact CD1-CB 3.9Å; I17-C58 HydrophobicContact CG1-CB 4.45Å; I18-C58 CarbonylContact O-C 3.56Å; I18-C58 VanDerWaalsContact O-CA 3.27Å; I18-C58 WeakPolarHBondContact O-CA 3.33Å; L52-C58 HydrophobicContact CB-CB 4.34Å; L52-C58 VanDerWaalsContact CB-SG 3.59Å; K53-C58 PolarHBondContact N-SG 3.08Å
59R97.9Very high97.2Very high146 Ų14663.7 Ų63.755%0.55130%0.296SS*.EExtended strand (participates in β ladder)trans-103.6129.5160.9178.4177.1176.9163.30.9107.9I17 I18 N106I17-R59 CarbonylContact C-O 3.4Å; I17-R59 WeakPolarHBondContact CA-O 3.35Å; I18-R59 PolarHBondContact N-O 3.48Å; I18-R59 PolarHBondContact O-N 3.42Å; R59-N106 HydrophobicContact CG-CB 4.17Å
60I97.9Very high97.2Very high0 Ų068 Ų680%031%0.314CS..EExtended strand (participates in β ladder)trans-82.6137.9175.2-57.5-172.5000108.7I17 A49 L50 K53 L99 A103 N106I17-I60 HydrophobicContact CG2-CG1 4.24Å; A49-I60 HydrophobicContact CB-CD1 4.22Å; L50-I60 HydrophobicContact CD2-CD1 4.3Å; K53-I60 HydrophobicContact CB-CD1 3.93Å; K53-I60 HydrophobicContact CB-CG1 4.22Å; K53-I60 HydrophobicContact CG-CD1 4.16Å; K53-I60 HydrophobicContact CG-CG1 4.42Å; I60-L99 HydrophobicContact CD1-CD2 4.26Å; I60-L99 HydrophobicContact CG2-CD2 3.98Å; I60-A103 HydrophobicContact CB-CB 4.04Å; I60-A103 HydrophobicContact CD1-CB 3.83Å; I60-A103 HydrophobicContact CG1-CB 4.16Å; I60-N106 PolarHBondContact N-OD1 3.49Å; I60-N106 VanDerWaalsContact O-CB 3.32Å; I60-N106 WeakPolarHBondContact O-CB 3.5Å
61V97.7Very high97.2Very high45 Ų4567.6 Ų67.627%0.27331%0.313SS..PPolyproline II helixtrans-95.9127.6172.6-177.80000107.9K16 I18K16-V61 HydrophobicContact CB-CB 4.19Å; K16-V61 HydrophobicContact CG-CB 4.44Å; K16-V61 HydrophobicContact CG-CG2 4.37Å; K16-V61 WeakPolarHBondContact O-CB 3.36Å; K16-V61 PolarHBondContact O-N 3.04Å; I18-V61 HydrophobicContact CD1-CG2 3.98Å; I18-V61 HydrophobicContact CG1-CG2 3.93Å
62P95.9Very high97.2Very high41 Ų4168.5 Ų68.527%0.26632%0.315SS..PPolyproline II helixtrans-59.6140.7177.621.6-30.7000111.1I107P62-I107 HydrophobicContact CB-CG1 4.19Å; P62-I107 HydrophobicContact CB-CG2 4.42Å
63P96.9Very high97.2Very high26 Ų2674.3 Ų74.317%0.16934%0.342CS..PPolyproline II helixtrans-56.7150.3169.5-24.234000111.9W65 M66 L99P63-W65 HydrophobicContact CB-CD2 4.42Å; P63-W65 HydrophobicContact CB-CG 4.34Å; P63-W65 HydrophobicContact CB-CZ2 4.43Å; P63-W65 HydrophobicContact CG-CZ2 4.4Å; P63-W65 PolarHBondContact O-N 2.93Å; P63-W65 VanDerWaalsContact O-N 3.12Å; P63-M66 HydrophobicContact CB-CB 4.39Å; P63-M66 WeakPolarHBondContact O-CB 3.44Å; P63-M66 PolarHBondContact O-N 3.17Å; P63-L99 HydrophobicContact CG-CD1 3.88Å
64E95.8Very high97.3Very high165 Ų16574.4 Ų74.477%0.77134%0.343SS*.THydrogen-bonded Turntrans-62.4-24.6-175-65.6-175.8-176.900114.6K70E64-K70 WeakPolarHBondContact O-CD 3.43Å; E64-K70 PolarHBondContact O-NZ 3.25Å
65W96.3Very high97.3Very high38 Ų3870.8 Ų70.814%0.14432%0.324CS..THydrogen-bonded Turntrans-82.9-16.517662.2-100.9000112.9P63 D67 L71 P88 L95 T96P63-W65 HydrophobicContact CB-CD2 4.42Å; P63-W65 HydrophobicContact CB-CG 4.34Å; P63-W65 HydrophobicContact CB-CZ2 4.43Å; P63-W65 HydrophobicContact CG-CZ2 4.4Å; P63-W65 PolarHBondContact O-N 2.93Å; P63-W65 VanDerWaalsContact O-N 3.12Å; W65-D67 PolarHBondContact O-N 3.29Å; W65-L71 HydrophobicContact CE3-CD2 4.32Å; W65-P88 HydrophobicContact CB-CB 3.48Å; W65-P88 VanDerWaalsContact CB-CB 3.48Å; W65-P88 HydrophobicContact CB-CG 4.32Å; W65-P88 HydrophobicContact CD2-CB 3.92Å; W65-P88 HydrophobicContact CD2-CG 4.02Å; W65-P88 HydrophobicContact CE3-CB 4.21Å; W65-P88 HydrophobicContact CE3-CG 3.84Å; W65-P88 HydrophobicContact CG-CB 3.61Å; W65-P88 HydrophobicContact CG-CG 4.24Å; W65-L95 HydrophobicContact CH2-CB 4.37Å; W65-L95 HydrophobicContact CZ2-CB 4.07Å; W65-L95 HydrophobicContact CZ2-CD1 4.03Å; W65-T96 WeakPolarHBondContact CH2-OG1 3.5Å
66M96.4Very high97.4Very high8 Ų867.3 Ų67.34%0.03932%0.315CS..  trans-83.457179.2-169.4172.8-74.300109.7P63 L99 L100 I107 I113P63-M66 HydrophobicContact CB-CB 4.39Å; P63-M66 WeakPolarHBondContact O-CB 3.44Å; P63-M66 PolarHBondContact O-N 3.17Å; M66-L99 HydrophobicContact CE-CB 4.44Å; M66-L99 HydrophobicContact CE-CD1 3.87Å; M66-L99 HydrophobicContact SD-CD1 4.28Å; M66-L100 HydrophobicContact SD-CD2 4.36Å; M66-I107 HydrophobicContact SD-CD1 3.95Å; M66-I107 HydrophobicContact SD-CG2 4.26Å; M66-I113 HydrophobicContact CG-CD1 4.07Å; M66-I113 HydrophobicContact CG-CG2 3.77Å
67D96.8Very high97.4Very high65 Ų6563.4 Ų63.435%0.34830%0.299SS..  trans-126.7143.1178.8176.769.7000109W65 E69 K70 L71W65-D67 PolarHBondContact O-N 3.29Å; D67-E69 PolarHBondContact O-N 2.88Å; D67-E69 WeakPolarHBondContact OD2-CB 3.32Å; D67-E69 PolarHBondContact OD2-N 3.29Å; D67-E69 VanDerWaalsContact OD2-N 3.1Å; D67-K70 HydrophobicContact CB-CB 4.47Å; D67-K70 HydrophobicContact CB-CD 4.36Å; D67-K70 HydrophobicContact CB-CG 4.4Å; D67-K70 PolarHBondContact OD2-N 3.18Å; D67-L71 WeakPolarHBondContact O-CB 3.45Å; D67-L71 VanDerWaalsContact O-CG 3.25Å; D67-L71 WeakPolarHBondContact O-CG 3.24Å; D67-L71 PolarHBondContact O-N 2.68Å
68V97.8Very high97.4Very high8 Ų859 Ų595%0.04828%0.28CS..Hα-helixtrans-63.3-45.4-173.2170.60000111.3K70 L71 E72 K109 E112 I113 L116V68-K70 PolarHBondContact O-N 3.09Å; V68-L71 PolarHBondContact O-N 2.8Å; V68-E72 WeakPolarHBondContact O-CG 3.35Å; V68-E72 PolarHBondContact O-N 3.4Å; V68-K109 HydrophobicContact CB-CD 4.4Å; V68-K109 HydrophobicContact CG2-CB 3.84Å; V68-K109 HydrophobicContact CG2-CD 3.72Å; V68-K109 HydrophobicContact CG2-CG 4.48Å; V68-E112 HydrophobicContact CG1-CG 4.07Å; V68-E112 WeakPolarHBondContact CG1-OE1 3.44Å; V68-E112 HydrophobicContact CG2-CB 4.34Å; V68-E112 HydrophobicContact CG2-CG 4.13Å; V68-I113 HydrophobicContact CG2-CD1 4.44Å; V68-I113 HydrophobicContact CG2-CG1 3.76Å; V68-L116 HydrophobicContact CB-CD1 4.4Å; V68-L116 HydrophobicContact CG1-CD1 3.93Å
69E97.5Very high97.3Very high134 Ų13464.5 Ų64.563%0.62630%0.299SS*.Hα-helixtrans-65.4-45.1-175.4-61.5174.6-176.300110.3D67 L71 E72 E73D67-E69 PolarHBondContact O-N 2.88Å; D67-E69 WeakPolarHBondContact OD2-CB 3.32Å; D67-E69 PolarHBondContact OD2-N 3.29Å; D67-E69 VanDerWaalsContact OD2-N 3.1Å; E69-L71 PolarHBondContact O-N 2.9Å; E69-E72 PolarHBondContact O-N 2.97Å; E69-E73 WeakPolarHBondContact O-CG 3.5Å; E69-E73 PolarHBondContact O-N 3.21Å
70K97.3Very high97.3Very high90 Ų9065.5 Ų65.539%0.39131%0.308SS..Hα-helixtrans-64.5-39.3176.9-64.2-177.1-174.8174.30112.8E64 D67 V68 E72 E73 I74E64-K70 WeakPolarHBondContact O-CD 3.43Å; E64-K70 PolarHBondContact O-NZ 3.25Å; D67-K70 HydrophobicContact CB-CB 4.47Å; D67-K70 HydrophobicContact CB-CD 4.36Å; D67-K70 HydrophobicContact CB-CG 4.4Å; D67-K70 PolarHBondContact OD2-N 3.18Å; V68-K70 PolarHBondContact O-N 3.09Å; K70-E72 VanDerWaalsContact C-N 3.34Å; K70-E73 PolarHBondContact O-N 3.18Å; K70-I74 WeakPolarHBondContact O-CD1 3.49Å; K70-I74 VanDerWaalsContact O-CG1 3.28Å; K70-I74 WeakPolarHBondContact O-CG1 3.25Å; K70-I74 PolarHBondContact O-N 3.49Å
71L98.1Very high97.2Very high2 Ų269.3 Ų69.31%0.0133%0.326CS..Hα-helixtrans-69.8-33.4178.3-75.1170.3000111.9W65 D67 V68 E69 I74 R75 I113 L116 V117 I120W65-L71 HydrophobicContact CE3-CD2 4.32Å; D67-L71 WeakPolarHBondContact O-CB 3.45Å; D67-L71 VanDerWaalsContact O-CG 3.25Å; D67-L71 WeakPolarHBondContact O-CG 3.24Å; D67-L71 PolarHBondContact O-N 2.68Å; V68-L71 PolarHBondContact O-N 2.8Å; E69-L71 PolarHBondContact O-N 2.9Å; L71-I74 HydrophobicContact CD2-CD1 4.45Å; L71-I74 PolarHBondContact O-N 2.9Å; L71-R75 WeakPolarHBondContact O-CB 3.44Å; L71-R75 PolarHBondContact O-N 3.41Å; L71-I113 HydrophobicContact CD1-CB 4.32Å; L71-I113 HydrophobicContact CD1-CG1 4.27Å; L71-I113 HydrophobicContact CD1-CG2 3.78Å; L71-L116 HydrophobicContact CB-CB 4.03Å; L71-L116 HydrophobicContact CB-CD1 3.87Å; L71-V117 HydrophobicContact CD1-CG2 4.06Å; L71-V117 HydrophobicContact CD2-CG2 4.07Å; L71-I120 HydrophobicContact CD2-CD1 4.07Å
72E98.1Very high97Very high76 Ų7674.7 Ų74.736%0.35535%0.353SS..Hα-helixtrans-62.3-46.6170.2-75.7-174.7152.900111.4V68 E69 K70 I74 R75 E76 L116V68-E72 WeakPolarHBondContact O-CG 3.35Å; V68-E72 PolarHBondContact O-N 3.4Å; E69-E72 PolarHBondContact O-N 2.97Å; K70-E72 VanDerWaalsContact C-N 3.34Å; E72-I74 VanDerWaalsContact C-N 3.34Å; E72-I74 PolarHBondContact O-N 3.4Å; E72-R75 WeakPolarHBondContact O-CB 3.48Å; E72-R75 PolarHBondContact O-N 3.39Å; E72-E76 WeakPolarHBondContact O-CG 3.37Å; E72-E76 PolarHBondContact O-N 3.46Å; E72-L116 HydrophobicContact CG-CD1 3.93Å; E72-L116 HydrophobicContact CG-CD2 3.75Å
73E97.8Very high96.8Very high138 Ų13877.4 Ų77.465%0.64537%0.369SS*.Hα-helixtrans-57.7-45.9175.8-70.3177-177.800112.1E69 K70 R75 E76 L77E69-E73 WeakPolarHBondContact O-CG 3.5Å; E69-E73 PolarHBondContact O-N 3.21Å; K70-E73 PolarHBondContact O-N 3.18Å; E73-R75 PolarHBondContact O-N 3.3Å; E73-E76 PolarHBondContact O-N 2.94Å; E73-L77 WeakPolarHBondContact O-CB 3.25Å; E73-L77 PolarHBondContact O-N 2.66Å
74I97.8Very high96.8Very high32 Ų3277.2 Ų77.216%0.16437%0.365CS..Hα-helixtrans-62.2-43.3176.9-67.1161.8000110.7K70 L71 E72 L77 E78 P88 I120K70-I74 WeakPolarHBondContact O-CD1 3.49Å; K70-I74 VanDerWaalsContact O-CG1 3.28Å; K70-I74 WeakPolarHBondContact O-CG1 3.25Å; K70-I74 PolarHBondContact O-N 3.49Å; L71-I74 HydrophobicContact CD2-CD1 4.45Å; L71-I74 PolarHBondContact O-N 2.9Å; E72-I74 VanDerWaalsContact C-N 3.34Å; E72-I74 PolarHBondContact O-N 3.4Å; I74-L77 PolarHBondContact O-N 2.56Å; I74-E78 VanDerWaalsContact O-CB 3.28Å; I74-E78 WeakPolarHBondContact O-CB 3.38Å; I74-E78 PolarHBondContact O-N 3.13Å; I74-P88 HydrophobicContact CD1-CB 4.23Å; I74-P88 HydrophobicContact CD1-CG 4.07Å; I74-I120 HydrophobicContact CB-CD1 4.27Å; I74-I120 HydrophobicContact CG2-CD1 3.86Å; I74-I120 HydrophobicContact CG2-CG1 4.45Å
75R97.9Very high96.8Very high44 Ų4469.6 Ų69.617%0.16633%0.33CS..Hα-helixtrans-61.4-46.7178.1-174.5-168.671.4-158.6-13.7111.6L71 E72 E73 E78 R79 D119 I120L71-R75 WeakPolarHBondContact O-CB 3.44Å; L71-R75 PolarHBondContact O-N 3.41Å; E72-R75 WeakPolarHBondContact O-CB 3.48Å; E72-R75 PolarHBondContact O-N 3.39Å; E73-R75 PolarHBondContact O-N 3.3Å; R75-E78 PolarHBondContact O-N 2.88Å; R75-R79 WeakPolarHBondContact O-CG 3.35Å; R75-R79 PolarHBondContact O-N 3.05Å; R75-D119 HydrophobicContact CG-CB 4.27Å; R75-D119 IonicContact NH1-OD2 2.7Å; R75-I120 HydrophobicContact CB-CD1 4.32Å; R75-I120 HydrophobicContact CB-CG1 3.83Å; R75-I120 HydrophobicContact CG-CG1 4.22Å
76E97.9Very high96.8Very high88 Ų8872.1 Ų72.141%0.41135%0.351SS..Hα-helixtrans-67.8-40.1-179.7-64.9-46.6127.700111.7E72 E73 R79 K80E72-E76 WeakPolarHBondContact O-CG 3.37Å; E72-E76 PolarHBondContact O-N 3.46Å; E73-E76 PolarHBondContact O-N 2.94Å; E76-R79 PolarHBondContact O-N 2.9Å; E76-R79 IonicContact OE1-NH1 3.65Å; E76-K80 WeakPolarHBondContact O-CB 3.48Å; E76-K80 PolarHBondContact O-N 2.91Å
77L97.6Very high96.7Very high83 Ų8373.4 Ų73.444%0.43536%0.359SS..Hα-helixtrans-60.8-46.1173.5-175.365.5000111.2E73 I74 R79 K80 E81 T85E73-L77 WeakPolarHBondContact O-CB 3.25Å; E73-L77 PolarHBondContact O-N 2.66Å; I74-L77 PolarHBondContact O-N 2.56Å; L77-R79 VanDerWaalsContact C-N 3.3Å; L77-R79 PolarHBondContact O-N 3.36Å; L77-K80 PolarHBondContact O-N 3.11Å; L77-E81 HydrophobicContact CD1-CG 4.11Å; L77-E81 PolarHBondContact O-N 2.77Å; L77-T85 HydrophobicContact CD2-CG2 4.37Å; L77-T85 HydrophobicContact CG-CG2 3.98Å
78E97.9Very high96.6Very high1 Ų172.5 Ų72.51%0.00536%0.357CS..Hα-helixtrans-63.5-34.7178.2-172.562.6-136.500112.1I74 R75 T85 T123 R124 K127I74-E78 VanDerWaalsContact O-CB 3.28Å; I74-E78 WeakPolarHBondContact O-CB 3.38Å; I74-E78 PolarHBondContact O-N 3.13Å; R75-E78 PolarHBondContact O-N 2.88Å; E78-T85 WeakPolarHBondContact OE2-CB 3.28Å; E78-T85 PolarHBondContact OE2-N 2.96Å; E78-T85 VanDerWaalsContact OE2-N 3.13Å; E78-T85 PolarHBondContact OE2-OG1 2.71Å; E78-T123 HydrophobicContact CG-CG2 4.09Å; E78-R124 VanDerWaalsContact CD-CG 3.41Å; E78-R124 HydrophobicContact CG-CG 3.64Å; E78-R124 WeakPolarHBondContact OE1-CG 3.38Å; E78-R124 IonicContact OE1-NH1 3.72Å; E78-R124 IonicContact OE2-CZ 3.54Å; E78-R124 IonicContact OE2-NH1 3.63Å; E78-R124 PolarHBondContact OE2-NH1 3.38Å; E78-K127 VanDerWaalsContact O-CE 3.31Å; E78-K127 WeakPolarHBondContact O-CE 3.17Å; E78-K127 PolarHBondContact O-NZ 2.65Å; E78-K127 WeakPolarHBondContact OE1-CD 3.49Å; E78-K127 WeakPolarHBondContact OE1-CE 3.38Å; E78-K127 IonicContact OE1-NZ 3.75Å; E78-K127 PolarHBondContact OE1-NZ 3.4Å
79R97.1Very high96.5Very high125 Ų12572.5 Ų72.547%0.47236%0.358SS..Hα-helixtrans-72.6-31.3175.2-76.3176.6174.4172.80.1113.4R75 E76 L77 D119 T123R75-R79 WeakPolarHBondContact O-CG 3.35Å; R75-R79 PolarHBondContact O-N 3.05Å; E76-R79 PolarHBondContact O-N 2.9Å; E76-R79 IonicContact OE1-NH1 3.65Å; L77-R79 VanDerWaalsContact C-N 3.3Å; L77-R79 PolarHBondContact O-N 3.36Å; R79-D119 IonicContact NH2-OD2 2.77Å; R79-T123 HydrophobicContact CG-CG2 4.26Å
80K97.3Very high96.5Very high166 Ų16669.9 Ų69.972%0.72235%0.352SS*.Hα-helixtrans-78.7-40-176.5-176.2-176.1175.1-1690112.6E76 L77E76-K80 WeakPolarHBondContact O-CB 3.48Å; E76-K80 PolarHBondContact O-N 2.91Å; L77-K80 PolarHBondContact O-N 3.11Å
81E96.1Very high96.5Very high81 Ų8167.7 Ų67.738%0.37934%0.342SS..  trans-82.4139.8-177.5-65.6-60.1147.700111.4L77 T83 T85 K127L77-E81 HydrophobicContact CD1-CG 4.11Å; L77-E81 PolarHBondContact O-N 2.77Å; E81-T83 VanDerWaalsContact C-N 3.3Å; E81-T85 HydrophobicContact CB-CG2 3.78Å; E81-T85 HydrophobicContact CG-CG2 3.9Å; E81-K127 VanDerWaalsContact O-CE 3.23Å; E81-K127 WeakPolarHBondContact O-CE 3.36Å; E81-K127 PolarHBondContact O-NZ 3.05Å
82D92.1Very high96.5Very high158 Ų15867.7 Ų67.785%0.84534%0.341SS*.SBendtrans-75.9-23.7174.9-67.2-39.2000112.2
83T93.2Very high96.5Very high97 Ų9765.9 Ų65.960%0.59533%0.334SS*.SBendtrans-95.3167.6179.364.70000111.7E81 T85 K127E81-T83 VanDerWaalsContact C-N 3.3Å; T83-T85 PolarHBondContact O-N 3.46Å; T83-K127 PolarHBondContact O-NZ 3.22Å
84F96.3Very high96.5Very high22 Ų2259.5 Ų59.510%0.09630%0.304CS..PPolyproline II helixtrans-70.9120.4175.6-62-73.4000110.5K127 L128 D146 N147 L148F84-K127 HydrophobicContact CE1-CB 3.73Å; F84-K127 HydrophobicContact CE1-CD 4.48Å; F84-K127 HydrophobicContact CZ-CB 4Å; F84-L128 HydrophobicContact CE1-CB 4.41Å; F84-L128 HydrophobicContact CZ-CB 4.07Å; F84-L128 HydrophobicContact CZ-CD1 4.18Å; F84-D146 WeakPolarHBondContact CB-O 3.47Å; F84-N147 HydrophobicContact CB-CB 4.14Å; F84-N147 PolarHBondContact O-ND2 3.08Å; F84-L148 HydrophobicContact CD1-CD2 3.63Å; F84-L148 HydrophobicContact CD2-CD2 3.97Å; F84-L148 HydrophobicContact CD2-CG 4.22Å; F84-L148 HydrophobicContact CE1-CD2 3.53Å; F84-L148 HydrophobicContact CE2-CD2 3.89Å; F84-L148 HydrophobicContact CE2-CG 4.26Å; F84-L148 HydrophobicContact CG-CD2 3.85Å; F84-L148 HydrophobicContact CG-CG 4.43Å; F84-L148 HydrophobicContact CZ-CD2 3.68Å; F84-L148 HydrophobicContact CZ-CG 4.5Å
85T96.6Very high96.5Very high6 Ų658.2 Ų58.24%0.03730%0.297CS..PPolyproline II helixtrans-80.6156.7176.875.40000110.5L77 E78 E81 T83 V87 R124 N147L77-T85 HydrophobicContact CD2-CG2 4.37Å; L77-T85 HydrophobicContact CG-CG2 3.98Å; E78-T85 WeakPolarHBondContact OE2-CB 3.28Å; E78-T85 PolarHBondContact OE2-N 2.96Å; E78-T85 VanDerWaalsContact OE2-N 3.13Å; E78-T85 PolarHBondContact OE2-OG1 2.71Å; E81-T85 HydrophobicContact CB-CG2 3.78Å; E81-T85 HydrophobicContact CG-CG2 3.9Å; T83-T85 PolarHBondContact O-N 3.46Å; T85-V87 PolarHBondContact O-N 3.16Å; T85-R124 PolarHBondContact O-NH1 3.22Å; T85-N147 WeakPolarHBondContact O-CB 3.37Å
86P95.8Very high96.5Very high90 Ų9056.5 Ų56.558%0.58429%0.291SS*.PPolyproline II helixtrans-60.9134.4173.6-22.433.9000111.6
87V94.3Very high96.5Very high35 Ų3557.4 Ų57.421%0.21229%0.294CS..PPolyproline II helixtrans-92.2156.7177.4-68.10000111.3T85 S89 Y92 T149T85-V87 PolarHBondContact O-N 3.16Å; V87-S89 VanDerWaalsContact C-N 3.3Å; V87-S89 WeakPolarHBondContact CG2-O 3.34Å; V87-S89 PolarHBondContact O-N 3.09Å; V87-Y92 HydrophobicContact CB-CD1 4.08Å; V87-Y92 HydrophobicContact CB-CE1 4.29Å; V87-Y92 HydrophobicContact CG1-CD1 4.22Å; V87-Y92 HydrophobicContact CG1-CE1 3.91Å; V87-Y92 HydrophobicContact CG2-CD1 4.35Å; V87-T149 HydrophobicContact CG1-CG2 4.4Å; V87-T149 HydrophobicContact CG2-CG2 3.64Å
88P94.4Very high96.5Very high46 Ų4653.8 Ų53.830%0.29928%0.275SS..SBendtrans-69.5-25.5-175.425.8-35000114.1W65 I74W65-P88 HydrophobicContact CB-CB 3.48Å; W65-P88 VanDerWaalsContact CB-CB 3.48Å; W65-P88 HydrophobicContact CB-CG 4.32Å; W65-P88 HydrophobicContact CD2-CB 3.92Å; W65-P88 HydrophobicContact CD2-CG 4.02Å; W65-P88 HydrophobicContact CE3-CB 4.21Å; W65-P88 HydrophobicContact CE3-CG 3.84Å; W65-P88 HydrophobicContact CG-CB 3.61Å; W65-P88 HydrophobicContact CG-CG 4.24Å; I74-P88 HydrophobicContact CD1-CB 4.23Å; I74-P88 HydrophobicContact CD1-CG 4.07Å
89S96.1Very high96.5Very high9 Ų953.7 Ų53.76%0.06328%0.275CS..  trans-149146174.3169.50000109.1V87 Y91 Y92V87-S89 VanDerWaalsContact C-N 3.3Å; V87-S89 WeakPolarHBondContact CG2-O 3.34Å; V87-S89 PolarHBondContact O-N 3.09Å; S89-Y91 PolarHBondContact O-N 3.39Å; S89-Y91 VanDerWaalsContact O-N 3.1Å; S89-Y91 PolarHBondContact OG-N 2.96Å; S89-Y92 PolarHBondContact O-N 3.47Å
90P96.5Very high96.5Very high78 Ų7847.9 Ų47.951%0.50625%0.253SS..THydrogen-bonded Turntrans-57.4-22.3173.6-23.433.7000114.1T149P90-T149 WeakPolarHBondContact O-CB 3.47Å
91Y97.7Very high96.5Very high44 Ų4444.7 Ų44.717%0.17324%0.244CC..THydrogen-bonded Turntrans-122.232-176.9-56.2-76.2000112.6V6 L9 A10 E13 S89 M93 E94 L95 L150V6-Y91 HydrophobicContact CG1-CE1 4.47Å; L9-Y91 HydrophobicContact CB-CE1 4.13Å; A10-Y91 HydrophobicContact CB-CD1 3.72Å; A10-Y91 HydrophobicContact CB-CD2 4.46Å; A10-Y91 HydrophobicContact CB-CE1 4.5Å; A10-Y91 HydrophobicContact CB-CG 3.69Å; E13-Y91 HydrophobicContact CG-CD2 3.69Å; E13-Y91 HydrophobicContact CG-CE2 4.37Å; E13-Y91 HydrophobicContact CG-CG 4.47Å; S89-Y91 PolarHBondContact O-N 3.39Å; S89-Y91 VanDerWaalsContact O-N 3.1Å; S89-Y91 PolarHBondContact OG-N 2.96Å; Y91-M93 PolarHBondContact O-N 3.31Å; Y91-M93 VanDerWaalsContact O-N 3.13Å; Y91-E94 WeakPolarHBondContact CA-OE2 3.45Å; Y91-E94 PolarHBondContact O-N 3.31Å; Y91-E94 VanDerWaalsContact O-OE2 3.14Å; Y91-L95 WeakPolarHBondContact O-CB 3.39Å; Y91-L95 VanDerWaalsContact O-CG 3.26Å; Y91-L95 WeakPolarHBondContact O-CG 3.35Å; Y91-L95 PolarHBondContact O-N 3Å; Y91-L150 HydrophobicContact CE1-CD2 4.35Å
92Y97.8Very high96.5Very high2 Ų244.4 Ų44.41%0.00824%0.242CC..Hα-helixtrans-56.5-32.2-174.376.2-83.2000113.3V87 S89 T96 V117 I120 T149 E152V87-Y92 HydrophobicContact CB-CD1 4.08Å; V87-Y92 HydrophobicContact CB-CE1 4.29Å; V87-Y92 HydrophobicContact CG1-CD1 4.22Å; V87-Y92 HydrophobicContact CG1-CE1 3.91Å; V87-Y92 HydrophobicContact CG2-CD1 4.35Å; S89-Y92 PolarHBondContact O-N 3.47Å; Y92-T96 VanDerWaalsContact O-CB 3.25Å; Y92-T96 WeakPolarHBondContact O-CB 3.14Å; Y92-T96 PolarHBondContact O-N 3.02Å; Y92-T96 PolarHBondContact O-OG1 2.88Å; Y92-V117 HydrophobicContact CD2-CG1 3.96Å; Y92-V117 HydrophobicContact CE2-CG1 4.01Å; Y92-I120 HydrophobicContact CE2-CG2 4.38Å; Y92-T149 HydrophobicContact CD1-CG2 3.96Å; Y92-T149 HydrophobicContact CE1-CG2 3.71Å; Y92-E152 PolarHBondContact OH-OE1 2.99Å
93M97.8Very high96.6Very high39 Ų3936.9 Ų36.919%0.19220%0.202CC..Hα-helixtrans-70.9-48.6-179.9-75.1-61.6-67.100112.5Y91 T96 K97 V117 W121Y91-M93 PolarHBondContact O-N 3.31Å; Y91-M93 VanDerWaalsContact O-N 3.13Å; M93-T96 PolarHBondContact O-N 2.89Å; M93-K97 WeakPolarHBondContact O-CB 3.25Å; M93-K97 PolarHBondContact O-N 3.39Å; M93-V117 HydrophobicContact SD-CG1 3.51Å; M93-V117 VanDerWaalsContact SD-CG1 3.51Å; M93-W121 HydrophobicContact CE-CB 3.96Å; M93-W121 HydrophobicContact CE-CD2 3.63Å; M93-W121 HydrophobicContact CE-CE3 3.76Å; M93-W121 HydrophobicContact CE-CG 3.72Å; M93-W121 HydrophobicContact CE-CZ3 4.49Å; M93-W121 HydrophobicContact CG-CD2 4.2Å; M93-W121 HydrophobicContact CG-CE3 3.33Å; M93-W121 HydrophobicContact CG-CZ3 3.68Å; M93-W121 HydrophobicContact SD-CB 3.77Å; M93-W121 HydrophobicContact SD-CD2 3.98Å; M93-W121 HydrophobicContact SD-CE3 3.65Å; M93-W121 HydrophobicContact SD-CG 4.06Å
94E97.8Very high96.8Very high4 Ų434.9 Ų34.92%0.01919%0.192CC..Hα-helixtrans-64.5-46.6179.5-59.288.8154.100109.7V6 A10 Y91 T96 K97 L98 M151V6-E94 WeakPolarHBondContact CG1-OE1 3.34Å; A10-E94 HydrophobicContact CB-CB 3.43Å; A10-E94 VanDerWaalsContact CB-CB 3.43Å; A10-E94 HydrophobicContact CB-CG 3.87Å; Y91-E94 WeakPolarHBondContact CA-OE2 3.45Å; Y91-E94 PolarHBondContact O-N 3.31Å; Y91-E94 VanDerWaalsContact O-OE2 3.14Å; E94-T96 PolarHBondContact O-N 3.26Å; E94-K97 PolarHBondContact O-N 3.18Å; E94-L98 WeakPolarHBondContact O-CB 3.45Å; E94-L98 VanDerWaalsContact O-CG 3.26Å; E94-L98 WeakPolarHBondContact O-CG 3.39Å; E94-L98 PolarHBondContact O-N 2.86Å; E94-M151 HydrophobicContact CG-CE 3.67Å; E94-M151 WeakPolarHBondContact OE1-CB 3.3Å; E94-M151 VanDerWaalsContact OE1-CE 3.27Å; E94-M151 WeakPolarHBondContact OE1-CE 3.5Å
95L98.1Very high96.8Very high5 Ų539 Ų393%0.02622%0.215CC..Hα-helixtrans-60.3-46.1176.3-68178.8000111.6E13 V46 W65 Y91 K97 L98 L99E13-L95 HydrophobicContact CB-CD1 4.43Å; E13-L95 HydrophobicContact CB-CD2 4.07Å; E13-L95 HydrophobicContact CG-CD1 4.37Å; E13-L95 HydrophobicContact CG-CD2 4.45Å; V46-L95 HydrophobicContact CG2-CD2 3.69Å; W65-L95 HydrophobicContact CH2-CB 4.37Å; W65-L95 HydrophobicContact CZ2-CB 4.07Å; W65-L95 HydrophobicContact CZ2-CD1 4.03Å; Y91-L95 WeakPolarHBondContact O-CB 3.39Å; Y91-L95 VanDerWaalsContact O-CG 3.26Å; Y91-L95 WeakPolarHBondContact O-CG 3.35Å; Y91-L95 PolarHBondContact O-N 3Å; L95-K97 PolarHBondContact O-N 3Å; L95-L98 PolarHBondContact O-N 3.48Å; L95-L99 WeakPolarHBondContact O-CB 3.5Å; L95-L99 WeakPolarHBondContact O-CG 3.43Å; L95-L99 PolarHBondContact O-N 2.69Å
96T98.1Very high96.6Very high7 Ų739.5 Ų39.54%0.04322%0.218CC..Hα-helixtrans-61-46.8177.1-58.70000111.1W65 Y92 M93 E94 L100 V117W65-T96 WeakPolarHBondContact CH2-OG1 3.5Å; Y92-T96 VanDerWaalsContact O-CB 3.25Å; Y92-T96 WeakPolarHBondContact O-CB 3.14Å; Y92-T96 PolarHBondContact O-N 3.02Å; Y92-T96 PolarHBondContact O-OG1 2.88Å; M93-T96 PolarHBondContact O-N 2.89Å; E94-T96 PolarHBondContact O-N 3.26Å; T96-L100 HydrophobicContact CG2-CD1 3.49Å; T96-L100 VanDerWaalsContact CG2-CD1 3.49Å; T96-L100 HydrophobicContact CG2-CG 4.03Å; T96-L100 VanDerWaalsContact O-CB 3.22Å; T96-L100 WeakPolarHBondContact O-CB 3.25Å; T96-L100 WeakPolarHBondContact O-CG 3.39Å; T96-L100 PolarHBondContact O-N 3.27Å; T96-V117 HydrophobicContact CG2-CB 4.07Å; T96-V117 HydrophobicContact CG2-CG1 4Å; T96-V117 HydrophobicContact CG2-CG2 3.95Å
97K97.5Very high96.6Very high107 Ų10735.6 Ų35.647%0.46519%0.192SC..Hα-helixtrans-58.7-54.2177.6179.6-169.1170.3-151.70111.2E7 M93 E94 L95 N101E7-K97 IonicContact OE2-NZ 3.37Å; E7-K97 PolarHBondContact OE2-NZ 3.47Å; M93-K97 WeakPolarHBondContact O-CB 3.25Å; M93-K97 PolarHBondContact O-N 3.39Å; E94-K97 PolarHBondContact O-N 3.18Å; L95-K97 PolarHBondContact O-N 3Å; K97-N101 WeakPolarHBondContact O-CB 3.22Å; K97-N101 PolarHBondContact O-N 3.17Å; K97-N101 PolarHBondContact O-ND2 3.39Å; K97-N101 PolarHBondContact O-OD1 2.88Å
98L97.7Very high96.7Very high7 Ų738.2 Ų38.24%0.03721%0.209CC..Hα-helixtrans-62.9-48.2-175.8-71.2171.9000111.8E7 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 4.1Å; V46-L98 HydrophobicContact CG1-CD1 4.11Å; L50-L98 HydrophobicContact CD1-CB 4.03Å; L50-L98 HydrophobicContact CD1-CD1 4.24Å; L50-L98 HydrophobicContact CD1-CD2 3.99Å; L50-L98 HydrophobicContact CD1-CG 4.32Å; E94-L98 WeakPolarHBondContact O-CB 3.45Å; E94-L98 VanDerWaalsContact O-CG 3.26Å; E94-L98 WeakPolarHBondContact O-CG 3.39Å; E94-L98 PolarHBondContact O-N 2.86Å; L95-L98 PolarHBondContact O-N 3.48Å; L98-N101 PolarHBondContact O-N 3.23Å; L98-H102 PolarHBondContact O-CD2 3.31Å; L98-H102 PolarHBondContact O-N 2.94Å; L98-H102 VanDerWaalsContact O-N 3.17Å
99L97.6Very high96.8Very high0 Ų042 Ų420%022%0.221CC..Hα-helixtrans-69.1-44.6-176.7-66.6177.2000112.1I60 P63 M66 L95 N101 H102 A103 I107I60-L99 HydrophobicContact CD1-CD2 4.26Å; I60-L99 HydrophobicContact CG2-CD2 3.98Å; P63-L99 HydrophobicContact CG-CD1 3.88Å; M66-L99 HydrophobicContact CE-CB 4.44Å; M66-L99 HydrophobicContact CE-CD1 3.87Å; M66-L99 HydrophobicContact SD-CD1 4.28Å; L95-L99 WeakPolarHBondContact O-CB 3.5Å; L95-L99 WeakPolarHBondContact O-CG 3.43Å; L95-L99 PolarHBondContact O-N 2.69Å; L99-N101 VanDerWaalsContact C-N 3.3Å; L99-N101 PolarHBondContact O-N 3.42Å; L99-H102 PolarHBondContact O-N 3.25Å; L99-A103 CarbonylContact O-C 3.59Å; L99-A103 VanDerWaalsContact O-CA 3.32Å; L99-A103 WeakPolarHBondContact O-CA 3.18Å; L99-A103 WeakPolarHBondContact O-CB 3.22Å; L99-A103 PolarHBondContact O-N 2.71Å; L99-I107 HydrophobicContact CB-CD1 3.94Å
100L97.3Very high96.9Very high2 Ų242.2 Ų42.21%0.0122%0.223CC..Hα-helixtrans-71.9-24.3179.4-61.1-174.3000112.8M66 T96 S104 I107 A110 I113 R114M66-L100 HydrophobicContact SD-CD2 4.36Å; T96-L100 HydrophobicContact CG2-CD1 3.49Å; T96-L100 VanDerWaalsContact CG2-CD1 3.49Å; T96-L100 HydrophobicContact CG2-CG 4.03Å; T96-L100 VanDerWaalsContact O-CB 3.22Å; T96-L100 WeakPolarHBondContact O-CB 3.25Å; T96-L100 WeakPolarHBondContact O-CG 3.39Å; T96-L100 PolarHBondContact O-N 3.27Å; L100-S104 VanDerWaalsContact O-CB 3.26Å; L100-S104 WeakPolarHBondContact O-CB 3.4Å; L100-S104 PolarHBondContact O-OG 2.91Å; L100-I107 HydrophobicContact CD2-CB 4.29Å; L100-I107 HydrophobicContact CD2-CD1 3.79Å; L100-I107 HydrophobicContact CD2-CG2 3.97Å; L100-A110 WeakPolarHBondContact CD1-O 3.37Å; L100-A110 HydrophobicContact CD2-CB 3.89Å; L100-I113 HydrophobicContact CD1-CG2 4.23Å; L100-R114 HydrophobicContact CD1-CB 3.76Å; L100-R114 HydrophobicContact CD1-CG 4.28Å
101N96.8Very high96.9Very high99 Ų9943.4 Ų43.453%0.52923%0.226SC..Hα-helixtrans-77.1-34.9175.7-73.3-10.6000112.8K97 L98 L99K97-N101 WeakPolarHBondContact O-CB 3.22Å; K97-N101 PolarHBondContact O-N 3.17Å; K97-N101 PolarHBondContact O-ND2 3.39Å; K97-N101 PolarHBondContact O-OD1 2.88Å; L98-N101 PolarHBondContact O-N 3.23Å; L99-N101 VanDerWaalsContact C-N 3.3Å; L99-N101 PolarHBondContact O-N 3.42Å
102H96.4Very high96.9Very high75 Ų7545.1 Ų45.135%0.34724%0.235SC..Hα-helixtrans-107.4-18.7-173.4-69.9-69.3000114.8L50 K53 Q54 L98 L99L50-H102 HydrophobicContact CD2-CB 3.79Å; K53-H102 WeakPolarHBondContact CE-O 3.27Å; K53-H102 WeakPolarHBondContact CG-O 3.39Å; Q54-H102 PolarHBondContact NE2-CE1 3.29Å; L98-H102 PolarHBondContact O-CD2 3.31Å; L98-H102 PolarHBondContact O-N 2.94Å; L98-H102 VanDerWaalsContact O-N 3.17Å; L99-H102 PolarHBondContact O-N 3.25Å
103A95.9Very high97Very high0 Ų045.1 Ų45.10%024%0.235CC..Hα-helixtrans-141.928-172.500000113.6K53 I60 L99 D105 N106 I107K53-A103 HydrophobicContact CD-CB 4.46Å; K53-A103 HydrophobicContact CG-CB 4.37Å; I60-A103 HydrophobicContact CB-CB 4.04Å; I60-A103 HydrophobicContact CD1-CB 3.83Å; I60-A103 HydrophobicContact CG1-CB 4.16Å; L99-A103 CarbonylContact O-C 3.59Å; L99-A103 VanDerWaalsContact O-CA 3.32Å; L99-A103 WeakPolarHBondContact O-CA 3.18Å; L99-A103 WeakPolarHBondContact O-CB 3.22Å; L99-A103 PolarHBondContact O-N 2.71Å; A103-D105 WeakPolarHBondContact CA-OD1 3.17Å; A103-D105 PolarHBondContact O-N 3.47Å; A103-N106 PolarHBondContact O-N 3.49Å; A103-I107 WeakPolarHBondContact O-CG1 3.36Å; A103-I107 PolarHBondContact O-N 3.14Å
104S96.1Very high97Very high55 Ų5548.1 Ų48.139%0.38524%0.244SC..G310 helixtrans-55.8-31.2173.447.80000113L100 N106 I107L100-S104 VanDerWaalsContact O-CB 3.26Å; L100-S104 WeakPolarHBondContact O-CB 3.4Å; L100-S104 PolarHBondContact O-OG 2.91Å; S104-N106 PolarHBondContact O-N 3.33Å; S104-N106 VanDerWaalsContact O-N 3.16Å; S104-I107 PolarHBondContact O-N 2.91Å; S104-I107 VanDerWaalsContact O-O 3.1Å
105D95.8Very high97Very high109 Ų10951.9 Ų51.958%0.58327%0.267SS*.G310 helixtrans-63.9-15.8174.267.9-58.1000113.5K53 A103K53-D105 WeakPolarHBondContact CE-OD1 3.23Å; K53-D105 IonicContact NZ-OD1 2.8Å; K53-D105 PolarHBondContact NZ-OD1 3.44Å; K53-D105 IonicContact NZ-OD2 2.76Å; K53-D105 PolarHBondContact NZ-OD2 2.99Å; A103-D105 WeakPolarHBondContact CA-OD1 3.17Å; A103-D105 PolarHBondContact O-N 3.47Å
106N94.2Very high97Very high17 Ų1751.9 Ų51.99%0.09127%0.267CS..G310 helixtrans-104.3-6.7179.2-55.1158.2000113K53 R59 I60 A103 S104K53-N106 PolarHBondContact NZ-OD1 3.03Å; R59-N106 HydrophobicContact CG-CB 4.17Å; I60-N106 PolarHBondContact N-OD1 3.49Å; I60-N106 VanDerWaalsContact O-CB 3.32Å; I60-N106 WeakPolarHBondContact O-CB 3.5Å; A103-N106 PolarHBondContact O-N 3.49Å; S104-N106 PolarHBondContact O-N 3.33Å; S104-N106 VanDerWaalsContact O-N 3.16Å
107I95.6Very high97Very high7 Ų751.8 Ų51.84%0.03627%0.267CS..SBendtrans-115.2112.5-172-59.1170.1000108.4P62 M66 L99 L100 A103 S104 I113P62-I107 HydrophobicContact CB-CG1 4.19Å; P62-I107 HydrophobicContact CB-CG2 4.42Å; M66-I107 HydrophobicContact SD-CD1 3.95Å; M66-I107 HydrophobicContact SD-CG2 4.26Å; L99-I107 HydrophobicContact CB-CD1 3.94Å; L100-I107 HydrophobicContact CD2-CB 4.29Å; L100-I107 HydrophobicContact CD2-CD1 3.79Å; L100-I107 HydrophobicContact CD2-CG2 3.97Å; A103-I107 WeakPolarHBondContact O-CG1 3.36Å; A103-I107 PolarHBondContact O-N 3.14Å; S104-I107 PolarHBondContact O-N 2.91Å; S104-I107 VanDerWaalsContact O-O 3.1Å; I107-I113 HydrophobicContact CG2-CD1 3.75Å
108P95.1Very high97.1Very high90 Ų9051.3 Ų51.358%0.58427%0.265SS*.THydrogen-bonded Turntrans-64.7144.1178.528.9-33.5000110.1A110 I113P108-A110 PolarHBondContact O-N 3.39Å; P108-I113 WeakPolarHBondContact O-CD1 3.12Å
109K96.9Very high97.1Very high127 Ų12753.1 Ų53.155%0.55227%0.274SS*.THydrogen-bonded Turntrans54.636.2177.4-55.1176.1171-169.40113.9V68 D111 E112 I113V68-K109 HydrophobicContact CB-CD 4.4Å; V68-K109 HydrophobicContact CG2-CB 3.84Å; V68-K109 HydrophobicContact CG2-CD 3.72Å; V68-K109 HydrophobicContact CG2-CG 4.48Å; K109-D111 VanDerWaalsContact C-N 3.28Å; K109-D111 PolarHBondContact O-N 3.2Å; K109-D111 VanDerWaalsContact O-N 3.16Å; K109-E112 HydrophobicContact CB-CB 4.21Å; K109-E112 WeakPolarHBondContact CD-OE2 3.43Å; K109-E112 WeakPolarHBondContact O-CB 3.15Å; K109-E112 PolarHBondContact O-N 3.29Å; K109-I113 PolarHBondContact O-N 3.06Å
110A97.4Very high97.1Very high12 Ų1253.3 Ų53.310%0.09928%0.276CS..Hα-helixtrans-49.5-41.4-17800000114.6L100 P108 R114L100-A110 WeakPolarHBondContact CD1-O 3.37Å; L100-A110 HydrophobicContact CD2-CB 3.89Å; P108-A110 PolarHBondContact O-N 3.39Å; A110-R114 WeakPolarHBondContact O-CB 3.35Å; A110-R114 PolarHBondContact O-N 3.49Å
111D97.6Very high97.2Very high104 Ų10454.7 Ų54.756%0.55628%0.281SS*.Hα-helixtrans-71.6-32.9-179.1-65-40.3000113K109 R114 T115K109-D111 VanDerWaalsContact C-N 3.28Å; K109-D111 PolarHBondContact O-N 3.2Å; K109-D111 VanDerWaalsContact O-N 3.16Å; D111-R114 PolarHBondContact O-N 3.3Å; D111-R114 IonicContact OD1-CZ 2.69Å; D111-R114 IonicContact OD1-NH1 2.74Å; D111-R114 PolarHBondContact OD1-NH1 3.45Å; D111-R114 IonicContact OD1-NH2 2.68Å; D111-T115 PolarHBondContact O-N 2.92Å; D111-T115 VanDerWaalsContact O-N 3.08Å; D111-T115 PolarHBondContact O-OG1 3.48Å
112E98.2Very high97.3Very high79 Ų7953.5 Ų53.537%0.36927%0.274SS..Hα-helixtrans-69.9-45.8175.3-171171.9-173.100110.3V68 K109 R114 T115 L116V68-E112 HydrophobicContact CG1-CG 4.07Å; V68-E112 WeakPolarHBondContact CG1-OE1 3.44Å; V68-E112 HydrophobicContact CG2-CB 4.34Å; V68-E112 HydrophobicContact CG2-CG 4.13Å; K109-E112 HydrophobicContact CB-CB 4.21Å; K109-E112 WeakPolarHBondContact CD-OE2 3.43Å; K109-E112 WeakPolarHBondContact O-CB 3.15Å; K109-E112 PolarHBondContact O-N 3.29Å; E112-R114 VanDerWaalsContact C-N 3.29Å; E112-R114 PolarHBondContact O-N 3.01Å; E112-T115 WeakPolarHBondContact O-CB 3.37Å; E112-T115 PolarHBondContact O-N 3.48Å; E112-T115 VanDerWaalsContact O-N 3.11Å; E112-L116 HydrophobicContact CG-CD1 4.41Å; E112-L116 WeakPolarHBondContact O-CG 3.48Å; E112-L116 PolarHBondContact O-N 3.45Å
113I98.3Very high97.3Very high2 Ų251.4 Ų51.41%0.0127%0.267CS..Hα-helixtrans-56-45172.3-68.1168.9000110.7M66 V68 L71 L100 I107 P108 K109 T115 L116 V117M66-I113 HydrophobicContact CG-CD1 4.07Å; M66-I113 HydrophobicContact CG-CG2 3.77Å; V68-I113 HydrophobicContact CG2-CD1 4.44Å; V68-I113 HydrophobicContact CG2-CG1 3.76Å; L71-I113 HydrophobicContact CD1-CB 4.32Å; L71-I113 HydrophobicContact CD1-CG1 4.27Å; L71-I113 HydrophobicContact CD1-CG2 3.78Å; L100-I113 HydrophobicContact CD1-CG2 4.23Å; I107-I113 HydrophobicContact CG2-CD1 3.75Å; P108-I113 WeakPolarHBondContact O-CD1 3.12Å; K109-I113 PolarHBondContact O-N 3.06Å; I113-T115 VanDerWaalsContact C-N 3.3Å; I113-T115 PolarHBondContact O-N 3.1Å; I113-L116 PolarHBondContact O-N 3.36Å; I113-V117 HydrophobicContact CG2-CG2 4.45Å; I113-V117 WeakPolarHBondContact O-CB 3.32Å; I113-V117 WeakPolarHBondContact O-CG2 3.16Å; I113-V117 PolarHBondContact O-N 2.81Å
114R98.2Very high97.4Very high103 Ų10351.4 Ų51.439%0.38927%0.267SS..Hα-helixtrans-58.3-44177.4-168.1-177.3-64.6126.24.2111.5L100 A110 D111 E112 K118L100-R114 HydrophobicContact CD1-CB 3.76Å; L100-R114 HydrophobicContact CD1-CG 4.28Å; A110-R114 WeakPolarHBondContact O-CB 3.35Å; A110-R114 PolarHBondContact O-N 3.49Å; D111-R114 PolarHBondContact O-N 3.3Å; D111-R114 IonicContact OD1-CZ 2.69Å; D111-R114 IonicContact OD1-NH1 2.74Å; D111-R114 PolarHBondContact OD1-NH1 3.45Å; D111-R114 IonicContact OD1-NH2 2.68Å; E112-R114 VanDerWaalsContact C-N 3.29Å; E112-R114 PolarHBondContact O-N 3.01Å; R114-K118 WeakPolarHBondContact O-CB 3.46Å; R114-K118 PolarHBondContact O-N 2.89Å; R114-K118 VanDerWaalsContact O-N 3.09Å
115T98.4Very high97.5Very high82 Ų8249.4 Ų49.450%0.50325%0.252SS..Hα-helixtrans-64.7-47.4178.5-55.20000111.2D111 E112 I113 V117 K118 D119D111-T115 PolarHBondContact O-N 2.92Å; D111-T115 VanDerWaalsContact O-N 3.08Å; D111-T115 PolarHBondContact O-OG1 3.48Å; E112-T115 WeakPolarHBondContact O-CB 3.37Å; E112-T115 PolarHBondContact O-N 3.48Å; E112-T115 VanDerWaalsContact O-N 3.11Å; I113-T115 VanDerWaalsContact C-N 3.3Å; I113-T115 PolarHBondContact O-N 3.1Å; T115-V117 PolarHBondContact O-N 3.48Å; T115-K118 WeakPolarHBondContact O-CB 3.26Å; T115-K118 PolarHBondContact O-N 2.68Å; T115-K118 VanDerWaalsContact O-N 3.16Å; T115-D119 PolarHBondContact O-N 3.01Å
116L98.6Very high97.6Very high5 Ų546.3 Ų46.33%0.02624%0.241CC..Hα-helixtrans-61.7-45.7179.9-71.5169.7000112.8V68 L71 E72 E112 I113 K118 D119 I120V68-L116 HydrophobicContact CB-CD1 4.4Å; V68-L116 HydrophobicContact CG1-CD1 3.93Å; L71-L116 HydrophobicContact CB-CB 4.03Å; L71-L116 HydrophobicContact CB-CD1 3.87Å; E72-L116 HydrophobicContact CG-CD1 3.93Å; E72-L116 HydrophobicContact CG-CD2 3.75Å; E112-L116 HydrophobicContact CG-CD1 4.41Å; E112-L116 WeakPolarHBondContact O-CG 3.48Å; E112-L116 PolarHBondContact O-N 3.45Å; I113-L116 PolarHBondContact O-N 3.36Å; L116-K118 VanDerWaalsContact C-N 3.26Å; L116-K118 PolarHBondContact O-N 3.16Å; L116-D119 PolarHBondContact O-N 3.04Å; L116-I120 WeakPolarHBondContact O-CG1 3.26Å; L116-I120 PolarHBondContact O-N 3.2Å
117V98.4Very high97.7Very high5 Ų547 Ų473%0.0324%0.244CC..Hα-helixtrans-62.1-38.1176.4169.70000110.9L71 Y92 M93 T96 I113 T115 I120 W121L71-V117 HydrophobicContact CD1-CG2 4.06Å; L71-V117 HydrophobicContact CD2-CG2 4.07Å; Y92-V117 HydrophobicContact CD2-CG1 3.96Å; Y92-V117 HydrophobicContact CE2-CG1 4.01Å; M93-V117 HydrophobicContact SD-CG1 3.51Å; M93-V117 VanDerWaalsContact SD-CG1 3.51Å; T96-V117 HydrophobicContact CG2-CB 4.07Å; T96-V117 HydrophobicContact CG2-CG1 4Å; T96-V117 HydrophobicContact CG2-CG2 3.95Å; I113-V117 HydrophobicContact CG2-CG2 4.45Å; I113-V117 WeakPolarHBondContact O-CB 3.32Å; I113-V117 WeakPolarHBondContact O-CG2 3.16Å; I113-V117 PolarHBondContact O-N 2.81Å; T115-V117 PolarHBondContact O-N 3.48Å; V117-I120 PolarHBondContact O-N 3.14Å; V117-W121 WeakPolarHBondContact O-CB 3.18Å; V117-W121 PolarHBondContact O-N 3.02Å
118K98.3Very high97.7Very high97 Ų9747.3 Ų47.342%0.42225%0.245SC..Hα-helixtrans-66.4-41.9176.3-17654.3175.3153.10112.3R114 T115 L116 W121 D122R114-K118 WeakPolarHBondContact O-CB 3.46Å; R114-K118 PolarHBondContact O-N 2.89Å; R114-K118 VanDerWaalsContact O-N 3.09Å; T115-K118 WeakPolarHBondContact O-CB 3.26Å; T115-K118 PolarHBondContact O-N 2.68Å; T115-K118 VanDerWaalsContact O-N 3.16Å; L116-K118 VanDerWaalsContact C-N 3.26Å; L116-K118 PolarHBondContact O-N 3.16Å; K118-W121 WeakPolarHBondContact O-CB 3.41Å; K118-W121 PolarHBondContact O-N 2.84Å; K118-D122 WeakPolarHBondContact CE-OD1 3.26Å; K118-D122 WeakPolarHBondContact CE-OD2 3.35Å; K118-D122 IonicContact NZ-OD1 2.71Å; K118-D122 PolarHBondContact NZ-OD1 3.42Å; K118-D122 IonicContact NZ-OD2 3.85Å; K118-D122 PolarHBondContact NZ-OD2 3.11Å; K118-D122 WeakPolarHBondContact O-CB 3.44Å; K118-D122 PolarHBondContact O-N 2.95Å
119D98.4Very high97.7Very high45 Ų4551 Ų5124%0.24125%0.248CC..Hα-helixtrans-61.5-43.3175.7-76.3-8.6000112.1R75 R79 T115 L116 T123R75-D119 HydrophobicContact CG-CB 4.27Å; R75-D119 IonicContact NH1-OD2 2.7Å; R79-D119 IonicContact NH2-OD2 2.77Å; T115-D119 PolarHBondContact O-N 3.01Å; L116-D119 PolarHBondContact O-N 3.04Å; D119-T123 WeakPolarHBondContact O-CB 3.02Å; D119-T123 PolarHBondContact O-N 2.74Å; D119-T123 PolarHBondContact O-OG1 3.37Å
120I98.4Very high97.6Very high5 Ų550.8 Ų50.83%0.02625%0.252CS..Hα-helixtrans-60.3-50.1175.5-67.8162.5000109.5L71 I74 R75 Y92 L116 V117 D122 T123 R124L71-I120 HydrophobicContact CD2-CD1 4.07Å; I74-I120 HydrophobicContact CB-CD1 4.27Å; I74-I120 HydrophobicContact CG2-CD1 3.86Å; I74-I120 HydrophobicContact CG2-CG1 4.45Å; R75-I120 HydrophobicContact CB-CD1 4.32Å; R75-I120 HydrophobicContact CB-CG1 3.83Å; R75-I120 HydrophobicContact CG-CG1 4.22Å; Y92-I120 HydrophobicContact CE2-CG2 4.38Å; L116-I120 WeakPolarHBondContact O-CG1 3.26Å; L116-I120 PolarHBondContact O-N 3.2Å; V117-I120 PolarHBondContact O-N 3.14Å; I120-D122 PolarHBondContact O-N 3.01Å; I120-T123 PolarHBondContact O-N 3.48Å; I120-R124 HydrophobicContact CG2-CG 4.48Å; I120-R124 WeakPolarHBondContact O-CB 3.38Å; I120-R124 VanDerWaalsContact O-CG 3.24Å; I120-R124 WeakPolarHBondContact O-CG 3.46Å; I120-R124 PolarHBondContact O-N 3.48Å
121W98.1Very high97.5Very high30 Ų3052.5 Ų52.511%0.11426%0.263CS..Hα-helixtrans-57.5-49.8178.2173.2-88.7000112.4M93 V117 K118 T123 R124 I125 M151 E152 T155M93-W121 HydrophobicContact CE-CB 3.96Å; M93-W121 HydrophobicContact CE-CD2 3.63Å; M93-W121 HydrophobicContact CE-CE3 3.76Å; M93-W121 HydrophobicContact CE-CG 3.72Å; M93-W121 HydrophobicContact CE-CZ3 4.49Å; M93-W121 HydrophobicContact CG-CD2 4.2Å; M93-W121 HydrophobicContact CG-CE3 3.33Å; M93-W121 HydrophobicContact CG-CZ3 3.68Å; M93-W121 HydrophobicContact SD-CB 3.77Å; M93-W121 HydrophobicContact SD-CD2 3.98Å; M93-W121 HydrophobicContact SD-CE3 3.65Å; M93-W121 HydrophobicContact SD-CG 4.06Å; V117-W121 WeakPolarHBondContact O-CB 3.18Å; V117-W121 PolarHBondContact O-N 3.02Å; K118-W121 WeakPolarHBondContact O-CB 3.41Å; K118-W121 PolarHBondContact O-N 2.84Å; W121-T123 VanDerWaalsContact C-N 3.31Å; W121-T123 PolarHBondContact O-N 3.46Å; W121-R124 PolarHBondContact O-N 3.19Å; W121-I125 HydrophobicContact CD2-CD1 4.49Å; W121-I125 HydrophobicContact CD2-CG1 3.98Å; W121-I125 VanDerWaalsContact CE2-CG1 3.49Å; W121-I125 HydrophobicContact CG-CG1 4.32Å; W121-I125 HydrophobicContact CH2-CD1 3.97Å; W121-I125 HydrophobicContact CH2-CG1 4.42Å; W121-I125 HydrophobicContact CZ2-CD1 3.66Å; W121-I125 HydrophobicContact CZ2-CG1 3.75Å; W121-I125 WeakPolarHBondContact O-CG1 3.21Å; W121-I125 PolarHBondContact O-N 2.71Å; W121-M151 HydrophobicContact CH2-CB 4.17Å; W121-M151 HydrophobicContact CH2-CG 3.59Å; W121-M151 HydrophobicContact CZ3-CB 4.07Å; W121-M151 HydrophobicContact CZ3-CG 3.81Å; W121-E152 HydrophobicContact CE3-CG 4.01Å; W121-E152 HydrophobicContact CH2-CG 3.95Å; W121-E152 HydrophobicContact CZ3-CB 4.42Å; W121-E152 HydrophobicContact CZ3-CG 3.45Å; W121-E152 VanDerWaalsContact CZ3-CG 3.45Å; W121-T155 HydrophobicContact CH2-CG2 3.94Å; W121-T155 HydrophobicContact CZ2-CG2 3.87Å
122D98.3Very high97.3Very high74 Ų7448.5 Ų48.540%0.39624%0.244SC..Hα-helixtrans-64.5-38.1-176.9-73.3-22000111.6K118 I120 A126K118-D122 WeakPolarHBondContact CE-OD1 3.26Å; K118-D122 WeakPolarHBondContact CE-OD2 3.35Å; K118-D122 IonicContact NZ-OD1 2.71Å; K118-D122 PolarHBondContact NZ-OD1 3.42Å; K118-D122 IonicContact NZ-OD2 3.85Å; K118-D122 PolarHBondContact NZ-OD2 3.11Å; K118-D122 WeakPolarHBondContact O-CB 3.44Å; K118-D122 PolarHBondContact O-N 2.95Å; I120-D122 PolarHBondContact O-N 3.01Å; D122-A126 WeakPolarHBondContact O-CB 3.19Å; D122-A126 PolarHBondContact O-N 2.93Å
123T98.1Very high97.1Very high31 Ų3149.5 Ų49.519%0.1925%0.252CS..Hα-helixtrans-61-46.8173.4-55.80000111.1E78 R79 D119 I120 W121 A126 K127E78-T123 HydrophobicContact CG-CG2 4.09Å; R79-T123 HydrophobicContact CG-CG2 4.26Å; D119-T123 WeakPolarHBondContact O-CB 3.02Å; D119-T123 PolarHBondContact O-N 2.74Å; D119-T123 PolarHBondContact O-OG1 3.37Å; I120-T123 PolarHBondContact O-N 3.48Å; W121-T123 VanDerWaalsContact C-N 3.31Å; W121-T123 PolarHBondContact O-N 3.46Å; T123-A126 WeakPolarHBondContact O-CB 3.45Å; T123-A126 PolarHBondContact O-N 3.39Å; T123-K127 PolarHBondContact O-N 3.34Å
124R97.9Very high96.9Very high1 Ų151.5 Ų51.50%0.00427%0.266CS..Hα-helixtrans-69.3-40-178.2-69.3177.263.9883.8112.8E78 T85 I120 W121 A126 K127 L128 N147 E152E78-R124 VanDerWaalsContact CD-CG 3.41Å; E78-R124 HydrophobicContact CG-CG 3.64Å; E78-R124 WeakPolarHBondContact OE1-CG 3.38Å; E78-R124 IonicContact OE1-NH1 3.72Å; E78-R124 IonicContact OE2-CZ 3.54Å; E78-R124 IonicContact OE2-NH1 3.63Å; E78-R124 PolarHBondContact OE2-NH1 3.38Å; T85-R124 PolarHBondContact O-NH1 3.22Å; I120-R124 HydrophobicContact CG2-CG 4.48Å; I120-R124 WeakPolarHBondContact O-CB 3.38Å; I120-R124 VanDerWaalsContact O-CG 3.24Å; I120-R124 WeakPolarHBondContact O-CG 3.46Å; I120-R124 PolarHBondContact O-N 3.48Å; W121-R124 PolarHBondContact O-N 3.19Å; R124-A126 VanDerWaalsContact C-N 3.32Å; R124-A126 PolarHBondContact O-N 2.65Å; R124-K127 PolarHBondContact O-N 2.64Å; R124-L128 PolarHBondContact O-N 2.94Å; R124-N147 PolarHBondContact NH2-O 2.86Å; R124-E152 WeakPolarHBondContact CD-OE1 3.24Å; R124-E152 IonicContact CZ-OE1 3.69Å; R124-E152 IonicContact CZ-OE2 3.14Å; R124-E152 IonicContact NE-OE1 3.64Å; R124-E152 PolarHBondContact NE-OE1 3.27Å; R124-E152 IonicContact NE-OE2 3.8Å; R124-E152 IonicContact NH2-OE1 3.91Å; R124-E152 IonicContact NH2-OE2 2.65Å; R124-E152 PolarHBondContact NH2-OE2 3.35Å; R124-E152 VanDerWaalsContact NH2-OE2 3.14Å
125I97.3Very high96.7Very high12 Ų1248 Ų486%0.06225%0.254CS..Hα-helixtrans-65.6-36.5174-65.9-56.9000111.4W121 L128 R129 E152W121-I125 HydrophobicContact CD2-CD1 4.49Å; W121-I125 HydrophobicContact CD2-CG1 3.98Å; W121-I125 VanDerWaalsContact CE2-CG1 3.49Å; W121-I125 HydrophobicContact CG-CG1 4.32Å; W121-I125 HydrophobicContact CH2-CD1 3.97Å; W121-I125 HydrophobicContact CH2-CG1 4.42Å; W121-I125 HydrophobicContact CZ2-CD1 3.66Å; W121-I125 HydrophobicContact CZ2-CG1 3.75Å; W121-I125 WeakPolarHBondContact O-CG1 3.21Å; W121-I125 PolarHBondContact O-N 2.71Å; I125-L128 PolarHBondContact O-N 2.91Å; I125-R129 WeakPolarHBondContact O-CG 3.32Å; I125-R129 PolarHBondContact O-N 2.88Å; I125-R129 VanDerWaalsContact O-N 3.07Å; I125-E152 HydrophobicContact CD1-CB 4.27Å; I125-E152 HydrophobicContact CD1-CG 4.03Å
126A97.1Very high96.5Very high45 Ų4546.6 Ų46.637%0.37224%0.243SC..Hα-helixtrans-61.8-47.217300000111.5D122 T123 R124 L128 R129 L130D122-A126 WeakPolarHBondContact O-CB 3.19Å; D122-A126 PolarHBondContact O-N 2.93Å; T123-A126 WeakPolarHBondContact O-CB 3.45Å; T123-A126 PolarHBondContact O-N 3.39Å; R124-A126 VanDerWaalsContact C-N 3.32Å; R124-A126 PolarHBondContact O-N 2.65Å; A126-L128 VanDerWaalsContact C-N 3.34Å; A126-L128 PolarHBondContact O-N 3.35Å; A126-R129 PolarHBondContact O-N 2.86Å; A126-L130 WeakPolarHBondContact O-CG 3.48Å; A126-L130 PolarHBondContact O-N 2.79Å
127K96.5Very high96.2Very high32 Ų3250.2 Ų50.214%0.13927%0.269CS..Hα-helixtrans-58-43.3174.1-72.3-178.2-179.6179.70112.7E78 E81 T83 F84 T123 R124 R129 L130 S131E78-K127 VanDerWaalsContact O-CE 3.31Å; E78-K127 WeakPolarHBondContact O-CE 3.17Å; E78-K127 PolarHBondContact O-NZ 2.65Å; E78-K127 WeakPolarHBondContact OE1-CD 3.49Å; E78-K127 WeakPolarHBondContact OE1-CE 3.38Å; E78-K127 IonicContact OE1-NZ 3.75Å; E78-K127 PolarHBondContact OE1-NZ 3.4Å; E81-K127 VanDerWaalsContact O-CE 3.23Å; E81-K127 WeakPolarHBondContact O-CE 3.36Å; E81-K127 PolarHBondContact O-NZ 3.05Å; T83-K127 PolarHBondContact O-NZ 3.22Å; F84-K127 HydrophobicContact CE1-CB 3.73Å; F84-K127 HydrophobicContact CE1-CD 4.48Å; F84-K127 HydrophobicContact CZ-CB 4Å; T123-K127 PolarHBondContact O-N 3.34Å; R124-K127 PolarHBondContact O-N 2.64Å; K127-R129 VanDerWaalsContact C-N 3.3Å; K127-R129 PolarHBondContact O-N 3.07Å; K127-L130 PolarHBondContact O-N 2.66Å; K127-S131 WeakPolarHBondContact O-CB 3.35Å; K127-S131 PolarHBondContact O-N 3.28Å
128L96.4Very high96Very high12 Ų1256 Ų566%0.06330%0.295CS..Hα-helixtrans-60.8-40.2178.5-174.162.9000112.1F84 R124 I125 A126 A132 L148 T156F84-L128 HydrophobicContact CE1-CB 4.41Å; F84-L128 HydrophobicContact CZ-CB 4.07Å; F84-L128 HydrophobicContact CZ-CD1 4.18Å; R124-L128 PolarHBondContact O-N 2.94Å; I125-L128 PolarHBondContact O-N 2.91Å; A126-L128 VanDerWaalsContact C-N 3.34Å; A126-L128 PolarHBondContact O-N 3.35Å; L128-A132 WeakPolarHBondContact O-CB 3.13Å; L128-A132 PolarHBondContact O-N 3.4Å; L128-L148 HydrophobicContact CD1-CD1 3.71Å; L128-L148 HydrophobicContact CD1-CD2 4.34Å; L128-T156 HydrophobicContact CD2-CG2 4.11Å
129R94.9Very high95.6Very high169 Ų16957 Ų5764%0.63830%0.301SS*.Hα-helixtrans-65.6-45.3175.9-70.1169.2-177.9175.31.9111.9I125 A126 K127 A132 D133I125-R129 WeakPolarHBondContact O-CG 3.32Å; I125-R129 PolarHBondContact O-N 2.88Å; I125-R129 VanDerWaalsContact O-N 3.07Å; A126-R129 PolarHBondContact O-N 2.86Å; K127-R129 VanDerWaalsContact C-N 3.3Å; K127-R129 PolarHBondContact O-N 3.07Å; R129-A132 PolarHBondContact O-N 3.18Å; R129-D133 WeakPolarHBondContact O-CB 3.38Å; R129-D133 PolarHBondContact O-N 3.48Å
130L94.8Very high95.3Very high122 Ų12258.5 Ų58.564%0.63931%0.307SS*.Hα-helixtrans-64.1-40.5177.4-67.2174.3000111.9A126 K127 D133 S134A126-L130 WeakPolarHBondContact O-CG 3.48Å; A126-L130 PolarHBondContact O-N 2.79Å; K127-L130 PolarHBondContact O-N 2.66Å; L130-D133 PolarHBondContact O-N 3.1Å; L130-S134 WeakPolarHBondContact O-CB 3.43Å; L130-S134 PolarHBondContact O-N 2.9Å
131S94.6Very high94.9Very high47 Ų4763 Ų6333%0.32935%0.345SS..Hα-helixtrans-61.9-44.9175.1177.70000111.6K127 S134 F135K127-S131 WeakPolarHBondContact O-CB 3.35Å; K127-S131 PolarHBondContact O-N 3.28Å; S131-S134 PolarHBondContact O-N 2.98Å; S131-F135 WeakPolarHBondContact O-CB 3.28Å; S131-F135 PolarHBondContact O-N 2.8Å
132A94.2Very high94.6Very high21 Ų2168.6 Ų68.617%0.17437%0.372CS..Hα-helixtrans-64.6-40.9176.500000112.6L128 R129 F135 I136 L160L128-A132 WeakPolarHBondContact O-CB 3.13Å; L128-A132 PolarHBondContact O-N 3.4Å; R129-A132 PolarHBondContact O-N 3.18Å; A132-F135 PolarHBondContact O-N 2.9Å; A132-I136 WeakPolarHBondContact O-CG1 3.37Å; A132-I136 PolarHBondContact O-N 3.2Å; A132-L160 HydrophobicContact CB-CD1 4.12Å; A132-L160 HydrophobicContact CB-CD2 4.29Å
133D94.4Very high94.3Very high100 Ų10067.2 Ų67.254%0.53537%0.371SS..Hα-helixtrans-63.3-44.7177.3-175.965.3000112R129 L130 F135 I136 S137R129-D133 WeakPolarHBondContact O-CB 3.38Å; R129-D133 PolarHBondContact O-N 3.48Å; L130-D133 PolarHBondContact O-N 3.1Å; D133-F135 PolarHBondContact O-N 3.49Å; D133-I136 PolarHBondContact O-N 3.5Å; D133-S137 VanDerWaalsContact O-CB 3.26Å; D133-S137 WeakPolarHBondContact O-CB 3.31Å; D133-S137 PolarHBondContact O-N 3.16Å; D133-S137 PolarHBondContact O-OG 2.98Å
134S93.8Very high93.9Very high43 Ų4373.1 Ų73.130%0.30139%0.394SS..Hα-helixtrans-60.7-45.8174.8-176.30000111.7L130 S131 I136 S137 Q138L130-S134 WeakPolarHBondContact O-CB 3.43Å; L130-S134 PolarHBondContact O-N 2.9Å; S131-S134 PolarHBondContact O-N 2.98Å; S134-I136 VanDerWaalsContact C-N 3.33Å; S134-I136 PolarHBondContact O-N 3.45Å; S134-S137 PolarHBondContact O-N 3.42Å; S134-Q138 WeakPolarHBondContact O-CB 3.4Å; S134-Q138 VanDerWaalsContact O-CG 3.32Å; S134-Q138 WeakPolarHBondContact O-CG 3.34Å; S134-Q138 PolarHBondContact O-N 3.47Å; S134-Q138 PolarHBondContact OG-NE2 3.13Å
135F94.2Very high93.4Very high31 Ų3177.2 Ų77.214%0.13642%0.415CS..Hα-helixtrans-57.9-45.3178.7-177.7-91.1000112.2S131 A132 D133 Q139 E140 A143 L164S131-F135 WeakPolarHBondContact O-CB 3.28Å; S131-F135 PolarHBondContact O-N 2.8Å; A132-F135 PolarHBondContact O-N 2.9Å; D133-F135 PolarHBondContact O-N 3.49Å; F135-Q139 PolarHBondContact O-N 3.17Å; 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 3.41Å; F135-E140 HydrophobicContact CE2-CB 3.46Å; F135-E140 VanDerWaalsContact CE2-CB 3.46Å; F135-E140 HydrophobicContact CG-CB 4.17Å; F135-E140 HydrophobicContact CZ-CB 4.18Å; F135-E140 WeakPolarHBondContact CZ-O 3.42Å; F135-E140 PolarHBondContact O-N 3.29Å; F135-E140 VanDerWaalsContact O-N 3.17Å; F135-A143 HydrophobicContact CD2-CB 3.77Å; F135-A143 HydrophobicContact CE2-CB 3.82Å; F135-L164 HydrophobicContact CD1-CD1 4.32Å; F135-L164 HydrophobicContact CD1-CD2 3.88Å; F135-L164 HydrophobicContact CE1-CD1 3.84Å; F135-L164 HydrophobicContact CE1-CD2 3.64Å; F135-L164 HydrophobicContact CE1-CG 4.39Å
136I93.1Very high93.2Very high52 Ų5280.3 Ų80.327%0.26743%0.432SS..Hα-helixtrans-66.5-48.9178.4-71.3168.7000110.7A132 D133 S134 Q138 Q139 L160 L164 M167A132-I136 WeakPolarHBondContact O-CG1 3.37Å; A132-I136 PolarHBondContact O-N 3.2Å; D133-I136 PolarHBondContact O-N 3.5Å; S134-I136 VanDerWaalsContact C-N 3.33Å; S134-I136 PolarHBondContact O-N 3.45Å; I136-Q138 VanDerWaalsContact C-N 3.32Å; I136-Q138 PolarHBondContact O-N 2.96Å; I136-Q139 PolarHBondContact O-N 3.47Å; I136-Q139 VanDerWaalsContact O-N 3.16Å; I136-L160 HydrophobicContact CD1-CD1 4.12Å; I136-L164 HydrophobicContact CG1-CD2 4.03Å; I136-M167 HydrophobicContact CB-CE 4.46Å; I136-M167 HydrophobicContact CB-SD 4.46Å; I136-M167 HydrophobicContact CG1-SD 4.16Å; I136-M167 HydrophobicContact CG2-CE 3.88Å; I136-M167 HydrophobicContact CG2-SD 3.83Å
137S93.4Very high93.2Very high81 Ų8181.8 Ų81.857%0.56643%0.434SS*.Hα-helixtrans-63.5-37.6-176.3-65.70000112.5D133 S134 Q139D133-S137 VanDerWaalsContact O-CB 3.26Å; D133-S137 WeakPolarHBondContact O-CB 3.31Å; D133-S137 PolarHBondContact O-N 3.16Å; D133-S137 PolarHBondContact O-OG 2.98Å; S134-S137 PolarHBondContact O-N 3.42Å; S137-Q139 VanDerWaalsContact C-N 3.34Å
138Q93.6Very high93.1Very high126 Ų12681.7 Ų81.759%0.58943%0.434SS*.THydrogen-bonded Turntrans-86.3-3.8179.1-61.9-173.937.400113.5S134 I136 E140S134-Q138 WeakPolarHBondContact O-CB 3.4Å; S134-Q138 VanDerWaalsContact O-CG 3.32Å; S134-Q138 WeakPolarHBondContact O-CG 3.34Å; S134-Q138 PolarHBondContact O-N 3.47Å; S134-Q138 PolarHBondContact OG-NE2 3.13Å; I136-Q138 VanDerWaalsContact C-N 3.32Å; I136-Q138 PolarHBondContact O-N 2.96Å; Q138-E140 HydrophobicContact CB-CG 4.03Å; Q138-E140 PolarHBondContact O-N 3.28Å; Q138-E140 PolarHBondContact OE1-OE1 3.32Å
139Q90.1Very high93.2Very high117 Ų11781.4 Ų81.455%0.54743%0.433SS..THydrogen-bonded Turntrans54.137.9-177.5-53.5-178.713.900113.4F135 I136 S137 R171F135-Q139 PolarHBondContact O-N 3.17Å; I136-Q139 PolarHBondContact O-N 3.47Å; I136-Q139 VanDerWaalsContact O-N 3.16Å; S137-Q139 VanDerWaalsContact C-N 3.34Å; Q139-R171 PolarHBondContact O-NH1 2.9Å
140E92.2Very high93.2Very high78 Ų7875.4 Ų75.436%0.36441%0.414SS..  trans-63.1153.5177.6-73-179.8-161.700111.2F135 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 3.41Å; F135-E140 HydrophobicContact CE2-CB 3.46Å; F135-E140 VanDerWaalsContact CE2-CB 3.46Å; F135-E140 HydrophobicContact CG-CB 4.17Å; F135-E140 HydrophobicContact CZ-CB 4.18Å; F135-E140 WeakPolarHBondContact CZ-O 3.42Å; F135-E140 PolarHBondContact O-N 3.29Å; F135-E140 VanDerWaalsContact O-N 3.17Å; Q138-E140 HydrophobicContact CB-CG 4.03Å; Q138-E140 PolarHBondContact O-N 3.28Å; Q138-E140 PolarHBondContact OE1-OE1 3.32Å
141A90.6Very high93.3Very high99 Ų9971 Ų7182%0.81839%0.39SS*.SBendtrans-106.7-12.8178.900000113.1
142H91.9Very high93.4Very high148 Ų14868.7 Ų68.769%0.68537%0.374SS*.  trans-149.3132.5-175.1169.9-84.3000110.5
143A90.6Very high93.5Very high45 Ų4570.1 Ų70.137%0.37238%0.378SS..  trans-126.1138.6173.400000109.9F135F135-A143 HydrophobicContact CD2-CB 3.77Å; F135-A143 HydrophobicContact CE2-CB 3.82Å
144K89.7Confident93.5Very high154 Ų15466.1 Ų66.167%0.6736%0.357SS*.  trans-96.9120170.6-165.9-171.8-172.7-144.80108.7D146K144-D146 WeakPolarHBondContact CD-OD2 3.31Å; K144-D146 WeakPolarHBondContact CE-OD1 3.27Å; K144-D146 WeakPolarHBondContact CE-OD2 3.48Å; K144-D146 IonicContact NZ-OD1 3.4Å; K144-D146 PolarHBondContact NZ-OD1 3.47Å; K144-D146 IonicContact NZ-OD2 3.67Å; K144-D146 PolarHBondContact NZ-OD2 3.06Å
145L88.4Confident93.5Very high88 Ų8867.7 Ų67.746%0.46137%0.365SS..  trans-115.588.4-179.7-61.4176.8000109.2L148L145-L148 HydrophobicContact CB-CD1 3.84Å; L145-L148 HydrophobicContact CB-CG 4.46Å; L145-L148 HydrophobicContact CD1-CD1 3.96Å; L145-L148 HydrophobicContact CD2-CD1 4.16Å; L145-L148 HydrophobicContact CG-CD1 4.2Å
146D93Very high93.4Very high77 Ų7768 Ų6841%0.41237%0.369SS..  trans-85.5151.1175.9-64-35.2000110.4F84 K144 L148F84-D146 WeakPolarHBondContact CB-O 3.47Å; K144-D146 WeakPolarHBondContact CD-OD2 3.31Å; K144-D146 WeakPolarHBondContact CE-OD1 3.27Å; K144-D146 WeakPolarHBondContact CE-OD2 3.48Å; K144-D146 IonicContact NZ-OD1 3.4Å; K144-D146 PolarHBondContact NZ-OD1 3.47Å; K144-D146 IonicContact NZ-OD2 3.67Å; K144-D146 PolarHBondContact NZ-OD2 3.06Å; D146-L148 PolarHBondContact O-N 2.96Å
147N96.1Very high93.4Very high76 Ų7670.8 Ų70.841%0.40638%0.376SS..SBendtrans58.713.8171.8-52.8-44.6000116.9F84 T85 R124F84-N147 HydrophobicContact CB-CB 4.14Å; F84-N147 PolarHBondContact O-ND2 3.08Å; T85-N147 WeakPolarHBondContact O-CB 3.37Å; R124-N147 PolarHBondContact NH2-O 2.86Å
148L96.2Very high93.4Very high29 Ų2970.4 Ų70.415%0.15237%0.374CS..  trans-74.9141.4170.1-73.5-176.2000111.4F84 L128 L145 D146 E152 I153F84-L148 HydrophobicContact CD1-CD2 3.63Å; F84-L148 HydrophobicContact CD2-CD2 3.97Å; F84-L148 HydrophobicContact CD2-CG 4.22Å; F84-L148 HydrophobicContact CE1-CD2 3.53Å; F84-L148 HydrophobicContact CE2-CD2 3.89Å; F84-L148 HydrophobicContact CE2-CG 4.26Å; F84-L148 HydrophobicContact CG-CD2 3.85Å; F84-L148 HydrophobicContact CG-CG 4.43Å; F84-L148 HydrophobicContact CZ-CD2 3.68Å; F84-L148 HydrophobicContact CZ-CG 4.5Å; L128-L148 HydrophobicContact CD1-CD1 3.71Å; L128-L148 HydrophobicContact CD1-CD2 4.34Å; L145-L148 HydrophobicContact CB-CD1 3.84Å; L145-L148 HydrophobicContact CB-CG 4.46Å; L145-L148 HydrophobicContact CD1-CD1 3.96Å; L145-L148 HydrophobicContact CD2-CD1 4.16Å; L145-L148 HydrophobicContact CG-CD1 4.2Å; D146-L148 PolarHBondContact O-N 2.96Å; L148-E152 HydrophobicContact CD2-CB 4.41Å; L148-I153 HydrophobicContact CB-CD1 4.03Å; L148-I153 HydrophobicContact CB-CG1 3.98Å; L148-I153 HydrophobicContact CD1-CG1 4.07Å
149T96.9Very high93.4Very high6 Ų671.7 Ų71.74%0.03738%0.378CS..  trans-85.8160.8173.163.10000111.9V87 P90 Y92 M151 E152 I153V87-T149 HydrophobicContact CG1-CG2 4.4Å; V87-T149 HydrophobicContact CG2-CG2 3.64Å; P90-T149 WeakPolarHBondContact O-CB 3.47Å; Y92-T149 HydrophobicContact CD1-CG2 3.96Å; Y92-T149 HydrophobicContact CE1-CG2 3.71Å; T149-M151 VanDerWaalsContact C-N 3.27Å; T149-M151 PolarHBondContact O-N 3.09Å; T149-E152 PolarHBondContact N-OE2 3.47Å; T149-E152 PolarHBondContact O-N 3.45Å; T149-E152 WeakPolarHBondContact OG1-CG 3.34Å; T149-E152 PolarHBondContact OG1-N 3.36Å; T149-E152 PolarHBondContact OG1-OE2 2.95Å; T149-I153 WeakPolarHBondContact O-CG1 3.27Å; T149-I153 PolarHBondContact O-N 2.98Å; T149-I153 VanDerWaalsContact O-N 3.11Å
150L96Very high93.5Very high44 Ų4468 Ų6823%0.2336%0.361CS..Hα-helixtrans-60.7-39.1177.6-178.257.1000111.6M1 V6 L9 Y91 I153 N154M1-L150 HydrophobicContact SD-CD1 4.36Å; M1-L150 HydrophobicContact SD-CD2 4.11Å; M1-L150 HydrophobicContact SD-CG 4.48Å; V6-L150 HydrophobicContact CG1-CB 4.3Å; V6-L150 HydrophobicContact CG1-CD2 3.97Å; V6-L150 HydrophobicContact CG1-CG 3.96Å; V6-L150 HydrophobicContact CG2-CG 4.37Å; L9-L150 HydrophobicContact CD1-CD2 3.79Å; Y91-L150 HydrophobicContact CE1-CD2 4.35Å; L150-I153 PolarHBondContact O-N 3.12Å; L150-N154 VanDerWaalsContact O-CB 3.23Å; L150-N154 WeakPolarHBondContact O-CB 3.46Å; L150-N154 PolarHBondContact O-N 3.11Å
151M96.8Very high93.6Very high28 Ų2868.5 Ų68.514%0.13837%0.366CS..Hα-helixtrans-63.7-46178.5-169.954.778.700111.9V6 E94 W121 T149 I153 N154 T155V6-M151 HydrophobicContact CB-CE 3.73Å; V6-M151 HydrophobicContact CG1-CB 4.48Å; V6-M151 HydrophobicContact CG1-CE 3.82Å; V6-M151 HydrophobicContact CG2-CE 4.42Å; E94-M151 HydrophobicContact CG-CE 3.67Å; E94-M151 WeakPolarHBondContact OE1-CB 3.3Å; E94-M151 VanDerWaalsContact OE1-CE 3.27Å; E94-M151 WeakPolarHBondContact OE1-CE 3.5Å; W121-M151 HydrophobicContact CH2-CB 4.17Å; W121-M151 HydrophobicContact CH2-CG 3.59Å; W121-M151 HydrophobicContact CZ3-CB 4.07Å; W121-M151 HydrophobicContact CZ3-CG 3.81Å; T149-M151 VanDerWaalsContact C-N 3.27Å; T149-M151 PolarHBondContact O-N 3.09Å; M151-I153 PolarHBondContact O-N 3.08Å; M151-N154 PolarHBondContact O-N 3.33Å; M151-T155 VanDerWaalsContact O-CG2 3.25Å; M151-T155 WeakPolarHBondContact O-CG2 3.38Å; M151-T155 PolarHBondContact O-N 3.28Å
152E96.7Very high93.8Very high0 Ų068.7 Ų68.70%035%0.353CS..Hα-helixtrans-57.7-50.5176.7-71.8161.8167.500110.9Y92 W121 R124 I125 L148 T149 N154 T155Y92-E152 PolarHBondContact OH-OE1 2.99Å; W121-E152 HydrophobicContact CE3-CG 4.01Å; W121-E152 HydrophobicContact CH2-CG 3.95Å; W121-E152 HydrophobicContact CZ3-CB 4.42Å; W121-E152 HydrophobicContact CZ3-CG 3.45Å; W121-E152 VanDerWaalsContact CZ3-CG 3.45Å; R124-E152 WeakPolarHBondContact CD-OE1 3.24Å; R124-E152 IonicContact CZ-OE1 3.69Å; R124-E152 IonicContact CZ-OE2 3.14Å; R124-E152 IonicContact NE-OE1 3.64Å; R124-E152 PolarHBondContact NE-OE1 3.27Å; R124-E152 IonicContact NE-OE2 3.8Å; R124-E152 IonicContact NH2-OE1 3.91Å; R124-E152 IonicContact NH2-OE2 2.65Å; R124-E152 PolarHBondContact NH2-OE2 3.35Å; R124-E152 VanDerWaalsContact NH2-OE2 3.14Å; I125-E152 HydrophobicContact CD1-CB 4.27Å; I125-E152 HydrophobicContact CD1-CG 4.03Å; L148-E152 HydrophobicContact CD2-CB 4.41Å; T149-E152 PolarHBondContact N-OE2 3.47Å; T149-E152 PolarHBondContact O-N 3.45Å; T149-E152 WeakPolarHBondContact OG1-CG 3.34Å; T149-E152 PolarHBondContact OG1-N 3.36Å; T149-E152 PolarHBondContact OG1-OE2 2.95Å; E152-N154 VanDerWaalsContact C-N 3.31Å; E152-N154 PolarHBondContact O-N 3.49Å; E152-T155 PolarHBondContact O-N 2.76Å; E152-T155 PolarHBondContact O-OG1 3.23Å
153I95.4Very high93.9Very high50 Ų5063.7 Ų63.726%0.25633%0.333SS..Hα-helixtrans-58.5-45.8177.5-67.3166000110.4L148 T149 L150 M151 T155 T156 R157L148-I153 HydrophobicContact CB-CD1 4.03Å; L148-I153 HydrophobicContact CB-CG1 3.98Å; L148-I153 HydrophobicContact CD1-CG1 4.07Å; T149-I153 WeakPolarHBondContact O-CG1 3.27Å; T149-I153 PolarHBondContact O-N 2.98Å; T149-I153 VanDerWaalsContact O-N 3.11Å; L150-I153 PolarHBondContact O-N 3.12Å; M151-I153 PolarHBondContact O-N 3.08Å; I153-T155 PolarHBondContact O-N 2.8Å; I153-T156 PolarHBondContact O-N 2.8Å; I153-R157 HydrophobicContact CG2-CB 4.25Å; I153-R157 WeakPolarHBondContact O-CA 3.23Å; I153-R157 WeakPolarHBondContact O-CB 3.32Å; I153-R157 PolarHBondContact O-N 3.12Å
154N95.3Very high94Very high17 Ų1763.5 Ų63.59%0.09133%0.326CS..Hα-helixtrans-63.9-27.7-174.8-164.950.7000112.9M1 V6 L150 M151 E152 T156M1-N154 WeakPolarHBondContact CB-OD1 3.5Å; M1-N154 VanDerWaalsContact O-CG 3.23Å; M1-N154 PolarHBondContact O-ND2 2.82Å; M1-N154 PolarHBondContact O-OD1 3.12Å; V6-N154 HydrophobicContact CG2-CB 4.32Å; L150-N154 VanDerWaalsContact O-CB 3.23Å; L150-N154 WeakPolarHBondContact O-CB 3.46Å; L150-N154 PolarHBondContact O-N 3.11Å; M151-N154 PolarHBondContact O-N 3.33Å; E152-N154 VanDerWaalsContact C-N 3.31Å; E152-N154 PolarHBondContact O-N 3.49Å; N154-T156 VanDerWaalsContact C-N 3.33Å; N154-T156 PolarHBondContact O-N 3.01Å
155T93.5Very high94.3Very high75 Ų7560.6 Ų60.646%0.4632%0.318SS..Hα-helixtrans-67.6-28178.666.70000114.5W121 M151 E152 I153W121-T155 HydrophobicContact CH2-CG2 3.94Å; W121-T155 HydrophobicContact CZ2-CG2 3.87Å; M151-T155 VanDerWaalsContact O-CG2 3.25Å; M151-T155 WeakPolarHBondContact O-CG2 3.38Å; M151-T155 PolarHBondContact O-N 3.28Å; E152-T155 PolarHBondContact O-N 2.76Å; E152-T155 PolarHBondContact O-OG1 3.23Å; I153-T155 PolarHBondContact O-N 2.8Å
156T92.2Very high94.5Very high38 Ų3860 Ų6023%0.23332%0.32CS..Hα-helixtrans-119.5-17-175.159.80000113.6L128 I153 N154 S158 F159 L160L128-T156 HydrophobicContact CD2-CG2 4.11Å; I153-T156 PolarHBondContact O-N 2.8Å; N154-T156 VanDerWaalsContact C-N 3.33Å; N154-T156 PolarHBondContact O-N 3.01Å; T156-S158 PolarHBondContact O-N 3.35Å; T156-F159 PolarHBondContact O-N 3.08Å; T156-L160 WeakPolarHBondContact O-CB 3.4Å; T156-L160 PolarHBondContact O-N 3.3Å
157R92.8Very high94.5Very high110 Ų11059.3 Ų59.342%0.41532%0.315SS..Hα-helixtrans-46.6-58-172.2176.7-174.8-75.5-158.41113.2I153 L160 L161I153-R157 HydrophobicContact CG2-CB 4.25Å; I153-R157 WeakPolarHBondContact O-CA 3.23Å; I153-R157 WeakPolarHBondContact O-CB 3.32Å; I153-R157 PolarHBondContact O-N 3.12Å; R157-L160 PolarHBondContact O-N 3.44Å; R157-L161 HydrophobicContact CG-CD1 3.66Å; R157-L161 HydrophobicContact CG-CG 4.37Å; R157-L161 WeakPolarHBondContact O-CB 3.43Å; R157-L161 VanDerWaalsContact O-CG 3.25Å; R157-L161 WeakPolarHBondContact O-CG 3.2Å; R157-L161 PolarHBondContact O-N 3.24Å
158S93Very high94.4Very high73 Ų7363.4 Ų63.451%0.5133%0.326SS..Hα-helixtrans-61.4-50.9-173.1-57.10000111.1T156 L160 L161 D162T156-S158 PolarHBondContact O-N 3.35Å; S158-L160 PolarHBondContact O-N 3.11Å; S158-L161 PolarHBondContact O-N 2.85Å; S158-D162 WeakPolarHBondContact O-CB 3.37Å; S158-D162 PolarHBondContact O-N 2.89Å
159F93.4Very high94.2Very high154 Ų15468.3 Ų68.368%0.67535%0.346SS*.Hα-helixtrans-60.2-47.5-179.6173.4-100.5000112.5T156 T163T156-F159 PolarHBondContact O-N 3.08Å; F159-T163 WeakPolarHBondContact O-CB 3.13Å; F159-T163 PolarHBondContact O-N 3.49Å; F159-T163 PolarHBondContact O-OG1 3.2Å
160L93.3Very high94Very high38 Ų3873.8 Ų73.820%0.19937%0.374CS..Hα-helixtrans-65.2-47.5-177-176.859.9000111A132 I136 T156 R157 S158 D162 T163 L164A132-L160 HydrophobicContact CB-CD1 4.12Å; A132-L160 HydrophobicContact CB-CD2 4.29Å; I136-L160 HydrophobicContact CD1-CD1 4.12Å; T156-L160 WeakPolarHBondContact O-CB 3.4Å; T156-L160 PolarHBondContact O-N 3.3Å; R157-L160 PolarHBondContact O-N 3.44Å; S158-L160 PolarHBondContact O-N 3.11Å; L160-D162 PolarHBondContact O-N 2.92Å; L160-T163 PolarHBondContact O-N 2.82Å; L160-L164 HydrophobicContact CD1-CD1 4.12Å; L160-L164 HydrophobicContact CD1-CG 4.17Å; L160-L164 HydrophobicContact CG-CD1 3.99Å; L160-L164 HydrophobicContact CG-CG 4.41Å; L160-L164 WeakPolarHBondContact O-CB 3.46Å; L160-L164 VanDerWaalsContact O-CG 3.23Å; L160-L164 WeakPolarHBondContact O-CG 3.46Å; L160-L164 PolarHBondContact O-N 2.87Å
161L93.6Very high93.6Very high89 Ų8978.7 Ų78.747%0.46639%0.39SS..Hα-helixtrans-65-41.1-179.3-67.9178.8000112.4R157 S158 T163 L164 N165R157-L161 HydrophobicContact CG-CD1 3.66Å; R157-L161 HydrophobicContact CG-CG 4.37Å; R157-L161 WeakPolarHBondContact O-CB 3.43Å; R157-L161 VanDerWaalsContact O-CG 3.25Å; R157-L161 WeakPolarHBondContact O-CG 3.2Å; R157-L161 PolarHBondContact O-N 3.24Å; S158-L161 PolarHBondContact O-N 2.85Å; L161-T163 VanDerWaalsContact C-N 3.33Å; L161-T163 PolarHBondContact O-N 2.89Å; L161-L164 PolarHBondContact O-N 2.91Å; L161-N165 WeakPolarHBondContact O-CB 3.21Å; L161-N165 VanDerWaalsContact O-CG 3.25Å; L161-N165 PolarHBondContact O-N 2.89Å; L161-N165 PolarHBondContact O-ND2 3.21Å; L161-N165 VanDerWaalsContact O-ND2 3.14Å
162D95.2Very high93.2Very high103 Ų10379.7 Ų79.755%0.55140%0.4SS*.Hα-helixtrans-63.3-42.3177.3-69.9-21.1000111.3S158 L160 N165 C166S158-D162 WeakPolarHBondContact O-CB 3.37Å; S158-D162 PolarHBondContact O-N 2.89Å; L160-D162 PolarHBondContact O-N 2.92Å; D162-N165 PolarHBondContact O-N 3.03Å; D162-C166 PolarHBondContact O-N 3.22Å; D162-C166 VanDerWaalsContact O-N 3.14Å; D162-C166 PolarHBondContact O-SG 2.88Å; D162-C166 VanDerWaalsContact O-SG 3.42Å
163T93.6Very high92.7Very high43 Ų4385.5 Ų85.526%0.26443%0.431SS..Hα-helixtrans-63-47.2175.9-56.90000111.4F159 L160 L161 N165 C166 M167F159-T163 WeakPolarHBondContact O-CB 3.13Å; F159-T163 PolarHBondContact O-N 3.49Å; F159-T163 PolarHBondContact O-OG1 3.2Å; L160-T163 PolarHBondContact O-N 2.82Å; L161-T163 VanDerWaalsContact C-N 3.33Å; L161-T163 PolarHBondContact O-N 2.89Å; T163-N165 VanDerWaalsContact C-N 3.34Å; T163-N165 PolarHBondContact O-N 3.23Å; T163-C166 WeakPolarHBondContact O-CB 3.28Å; T163-C166 PolarHBondContact O-N 3.42Å; T163-M167 HydrophobicContact CG2-SD 4.4Å; T163-M167 WeakPolarHBondContact O-CG 3.36Å; T163-M167 PolarHBondContact O-N 3.4Å
164L94.1Very high91.4Very high42 Ų4290.3 Ų90.322%0.2246%0.456CS..Hα-helixtrans-64.5-37179.4-69.6178.7000112.4F135 I136 L160 L161 C166 M167 Y168F135-L164 HydrophobicContact CD1-CD1 4.32Å; F135-L164 HydrophobicContact CD1-CD2 3.88Å; F135-L164 HydrophobicContact CE1-CD1 3.84Å; F135-L164 HydrophobicContact CE1-CD2 3.64Å; F135-L164 HydrophobicContact CE1-CG 4.39Å; I136-L164 HydrophobicContact CG1-CD2 4.03Å; L160-L164 HydrophobicContact CD1-CD1 4.12Å; L160-L164 HydrophobicContact CD1-CG 4.17Å; L160-L164 HydrophobicContact CG-CD1 3.99Å; L160-L164 HydrophobicContact CG-CG 4.41Å; L160-L164 WeakPolarHBondContact O-CB 3.46Å; L160-L164 VanDerWaalsContact O-CG 3.23Å; L160-L164 WeakPolarHBondContact O-CG 3.46Å; L160-L164 PolarHBondContact O-N 2.87Å; L161-L164 PolarHBondContact O-N 2.91Å; L164-C166 VanDerWaalsContact C-N 3.34Å; L164-C166 PolarHBondContact O-N 2.89Å; L164-M167 HydrophobicContact CD2-SD 4.14Å; L164-M167 PolarHBondContact O-N 3.12Å; L164-Y168 WeakPolarHBondContact O-CB 3.4Å; L164-Y168 PolarHBondContact O-N 3.29Å
165N94.7Very high89.7Confident92 Ų9297.2 Ų97.249%0.49249%0.488SS..Hα-helixtrans-61.8-42.1173.8-79.3-35.3000111.9L161 D162 T163 Y168 K169L161-N165 WeakPolarHBondContact O-CB 3.21Å; L161-N165 VanDerWaalsContact O-CG 3.25Å; L161-N165 PolarHBondContact O-N 2.89Å; L161-N165 PolarHBondContact O-ND2 3.21Å; L161-N165 VanDerWaalsContact O-ND2 3.14Å; D162-N165 PolarHBondContact O-N 3.03Å; T163-N165 VanDerWaalsContact C-N 3.34Å; T163-N165 PolarHBondContact O-N 3.23Å; N165-Y168 PolarHBondContact O-N 3Å; N165-K169 WeakPolarHBondContact O-CG 3.39Å; N165-K169 PolarHBondContact O-N 3.26Å; N165-K169 VanDerWaalsContact O-N 3.08Å
166C93.6Very high87.8Confident76 Ų7699.2 Ų99.251%0.51450%0.502SS..Hα-helixtrans-63.6-46.9174.8-72.20000111.5D162 T163 L164 Y168 K169 L170D162-C166 PolarHBondContact O-N 3.22Å; D162-C166 VanDerWaalsContact O-N 3.14Å; D162-C166 PolarHBondContact O-SG 2.88Å; D162-C166 VanDerWaalsContact O-SG 3.42Å; T163-C166 WeakPolarHBondContact O-CB 3.28Å; T163-C166 PolarHBondContact O-N 3.42Å; L164-C166 VanDerWaalsContact C-N 3.34Å; L164-C166 PolarHBondContact O-N 2.89Å; C166-Y168 VanDerWaalsContact C-N 3.32Å; C166-Y168 PolarHBondContact O-N 2.91Å; C166-K169 PolarHBondContact O-N 3.18Å; C166-L170 WeakPolarHBondContact O-CG 3.37Å; C166-L170 PolarHBondContact O-N 3.2Å
167M92.6Very high85.9Confident62 Ų62100 Ų10031%0.30552%0.517SS..Hα-helixtrans-58.6-44.1176.2-72178.260.900112.1I136 T163 L164 K169 L170 R171I136-M167 HydrophobicContact CB-CE 4.46Å; I136-M167 HydrophobicContact CB-SD 4.46Å; I136-M167 HydrophobicContact CG1-SD 4.16Å; I136-M167 HydrophobicContact CG2-CE 3.88Å; I136-M167 HydrophobicContact CG2-SD 3.83Å; T163-M167 HydrophobicContact CG2-SD 4.4Å; T163-M167 WeakPolarHBondContact O-CG 3.36Å; T163-M167 PolarHBondContact O-N 3.4Å; L164-M167 HydrophobicContact CD2-SD 4.14Å; L164-M167 PolarHBondContact O-N 3.12Å; M167-K169 PolarHBondContact O-N 3.05Å; M167-L170 PolarHBondContact O-N 3.34Å; M167-R171 WeakPolarHBondContact O-CB 3.35Å; M167-R171 PolarHBondContact O-N 3.46Å
168Y93Very high83.7Confident162 Ų162100.8 Ų100.864%0.63554%0.54SS*.Hα-helixtrans-59.6-47.8178179.3-98000111.6L164 N165 C166 L170 R171 S172L164-Y168 WeakPolarHBondContact O-CB 3.4Å; L164-Y168 PolarHBondContact O-N 3.29Å; N165-Y168 PolarHBondContact O-N 3Å; C166-Y168 VanDerWaalsContact C-N 3.32Å; C166-Y168 PolarHBondContact O-N 2.91Å; Y168-L170 PolarHBondContact O-N 2.95Å; Y168-R171 PolarHBondContact O-N 3.18Å; Y168-S172 PolarHBondContact O-N 3.06Å; Y168-S172 PolarHBondContact O-OG 2.91Å
169K93.6Very high81.3Confident132 Ų132102.9 Ų102.957%0.57456%0.555SS**Hα-helixtrans-57.9-46.6177-73.6174.5-178.2176.70112N165 C166 M167 R171 S172 N173N165-K169 WeakPolarHBondContact O-CG 3.39Å; N165-K169 PolarHBondContact O-N 3.26Å; N165-K169 VanDerWaalsContact O-N 3.08Å; C166-K169 PolarHBondContact O-N 3.18Å; M167-K169 PolarHBondContact O-N 3.05Å; K169-R171 VanDerWaalsContact C-N 3.3Å; K169-R171 PolarHBondContact O-N 2.89Å; K169-S172 WeakPolarHBondContact CA-OG 3.37Å; K169-S172 PolarHBondContact O-N 2.92Å; K169-S172 PolarHBondContact O-OG 3.39Å; K169-N173 PolarHBondContact O-N 3.3Å; K169-N173 PolarHBondContact O-ND2 3.33Å; K169-N173 PolarHBondContact O-OD1 3.2Å
170L91.2Very high78.8Confident121 Ų12198.8 Ų98.863%0.63456%0.556SS**Hα-helixtrans-61.6-39.8178.5-69.3174.3000111.8C166 M167 Y168C166-L170 WeakPolarHBondContact O-CG 3.37Å; C166-L170 PolarHBondContact O-N 3.2Å; M167-L170 PolarHBondContact O-N 3.34Å; Y168-L170 PolarHBondContact O-N 2.95Å
171R88.4Confident76.1Confident147 Ų147101.1 Ų101.156%0.55559%0.589SS**Hα-helixtrans-67.5-41.2176.5-172.3177.4-179.5171.43.7112.2Q139 M167 Y168 K169 N173Q139-R171 PolarHBondContact O-NH1 2.9Å; M167-R171 WeakPolarHBondContact O-CB 3.35Å; M167-R171 PolarHBondContact O-N 3.46Å; Y168-R171 PolarHBondContact O-N 3.18Å; K169-R171 VanDerWaalsContact C-N 3.3Å; K169-R171 PolarHBondContact O-N 2.89Å; R171-N173 VanDerWaalsContact C-N 3.35Å
172S89.2Confident73.4Confident49 Ų49106 Ų10634%0.34361%0.606SS.*Hα-helixtrans-72.2-26.1-179.458.10000113.6Y168 K169 L174 Q175Y168-S172 PolarHBondContact O-N 3.06Å; Y168-S172 PolarHBondContact O-OG 2.91Å; K169-S172 WeakPolarHBondContact CA-OG 3.37Å; K169-S172 PolarHBondContact O-N 2.92Å; K169-S172 PolarHBondContact O-OG 3.39Å; S172-L174 PolarHBondContact O-N 2.92Å; S172-Q175 PolarHBondContact O-N 3.28Å; S172-Q175 VanDerWaalsContact O-N 3.09Å
173N85.2Confident71.1Confident122 Ų122106.7 Ų106.765%0.65262%0.619SS**THydrogen-bonded Turntrans-65.2-18.4-179.2-73.1-19.7000114.1K169 R171K169-N173 PolarHBondContact O-N 3.3Å; K169-N173 PolarHBondContact O-ND2 3.33Å; K169-N173 PolarHBondContact O-OD1 3.2Å; R171-N173 VanDerWaalsContact C-N 3.35Å
174L67.8Low68.4Low151 Ų151112.3 Ų112.379%0.79164%0.643SS**THydrogen-bonded Turntrans-85-9.5176.4-79.8151.3000113.3S172 P176S172-L174 PolarHBondContact O-N 2.92Å; L174-P176 WeakPolarHBondContact O-CD 3.17Å
175Q60.8Low65.9Low163 Ų163117.5 Ų117.576%0.76267%0.671SS**SBendtrans-81.7107.8168.6-70.4-156.1-8.800108.4S172 G177S172-Q175 PolarHBondContact O-N 3.28Å; S172-Q175 VanDerWaalsContact O-N 3.09Å; Q175-G177 PolarHBondContact O-N 3.12Å
176P53.6Low63.4Low117 Ų117120.4 Ų120.476%0.7668%0.681SS**  trans-58.7128.3170.127.5-33.8000106.6L174 S178L174-P176 WeakPolarHBondContact O-CD 3.17Å; P176-S178 PolarHBondContact O-N 2.86Å
177G52.3Low60.8Low53 Ų53129.4 Ų129.455%0.54672%0.716SS.*  trans-47.3134.6174.500000109.1Q175 S179Q175-G177 PolarHBondContact O-N 3.12Å; G177-S179 PolarHBondContact O-N 2.95Å; G177-S179 PolarHBondContact O-OG 3.09Å
178S45.9Very low59.2Low127 Ų127132.8 Ų132.889%0.88874%0.736SS**  trans-40.992.3153.550.40000108.3P176 G180P176-S178 PolarHBondContact O-N 2.86Å; S178-G180 PolarHBondContact O-N 3.21Å
179S41.4Very low57.4Low118 Ų118131.3 Ų131.383%0.82574%0.742SS**  trans-86.4108.3-174.6-60.60000106.6G177G177-S179 PolarHBondContact O-N 2.95Å; G177-S179 PolarHBondContact O-OG 3.09Å
180G42.4Very low55.4Low68 Ų68131.2 Ų131.270%0.70175%0.751SS**  trans88.565.4154.200000117.5S178 K182S178-G180 PolarHBondContact O-N 3.21Å; G180-K182 VanDerWaalsContact C-N 3.34Å; G180-K182 PolarHBondContact O-N 2.94Å
181G36.6Very low53.3Low87 Ų87131.8 Ų131.890%0.89776%0.758SS**  trans-73.494.3145.800000108.1S183G181-S183 PolarHBondContact O-N 2.8Å
182K36.7Very low51.1Low190 Ų190130.9 Ų130.983%0.82677%0.77SS**  trans-50.2131.5178.2-72.5177.6175.6177.70110.6G180 Q184G180-K182 VanDerWaalsContact C-N 3.34Å; G180-K182 PolarHBondContact O-N 2.94Å; K182-Q184 PolarHBondContact O-N 3.42Å; K182-Q184 VanDerWaalsContact O-N 3.07Å
183S46.2Very low48.6Very low118 Ų118136.3 Ų136.383%0.82580%0.799SS**  trans-50.4113151.9-58.60000108.1G181G181-S183 PolarHBondContact O-N 2.8Å
184Q36.6Very low46Very low162 Ų162137.4 Ų137.476%0.75781%0.809SS**  trans-102.498.4156.1-93.2-175.7-34.300106.6K182 H186K182-Q184 PolarHBondContact O-N 3.42Å; K182-Q184 VanDerWaalsContact O-N 3.07Å; Q184-H186 PolarHBondContact O-N 2.86Å
185D42.9Very low44.3Very low151 Ų151136.3 Ų136.381%0.80781%0.811SS**  trans-51.2119.8148.8-80.8-51000108.2
186H41.3Very low42.9Very low153 Ų153134.1 Ų134.171%0.70882%0.815SS**  trans-144106.2151.7-84.7-49.6000108.9Q184Q184-H186 PolarHBondContact O-N 2.86Å
187Q38.8Very low41.9Very low265 Ų265135.6 Ų135.6100%1.23882%0.82SS**  trans270145.1-88.4166.1-25.900119.6

Retrieved 187 of 187 residues in 211.3 ms (Link to these results)

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