A0A075QTM4_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A075QTM4, Species HUMAN (Homo sapiens, Human), Gene ATP6, Length 226 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
1M54.4Low73.6Confident205 Ų20597.9 Ų97.9100%1.0153%0.528SS*.  0-32.30-74.3174.497.600113.2E3 N4M1-E3 PolarHBondContact O-N 3.45Å; M1-N4 PolarHBondContact O-N 3Å
2N52.2Low74.5Confident144 Ų14492.8 Ų92.877%0.7750%0.504SS*.Hα-helixtrans-60.6-38.8-178.4-87.318.8000115.6
3E58.2Low75.4Confident155 Ų15593.4 Ų93.472%0.72451%0.513SS*.Hα-helixtrans-73.6-26.2-177.9-67.3-92.2139.100113.1M1 L5 F6 A7M1-E3 PolarHBondContact O-N 3.45Å; E3-L5 VanDerWaalsContact C-N 3.32Å; E3-L5 PolarHBondContact O-N 3.32Å; E3-F6 PolarHBondContact O-N 3.35Å; E3-A7 PolarHBondContact O-N 3.28Å
4N74.6Confident76.3Confident116 Ų11694.5 Ų94.562%0.6252%0.516SS*.Hα-helixtrans-71.4-27.7-171.8-66.85.4000112.7M1M1-N4 PolarHBondContact O-N 3Å
5L76.7Confident76.9Confident46 Ų4699.8 Ų99.824%0.24154%0.542CS..Hα-helixtrans-69.8-36.2179.3-69.5175.6000112.2E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.32Å; E3-L5 PolarHBondContact O-N 3.32Å; L5-H172 VanDerWaalsContact CD2-CE1 3.45Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.39Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.09Å; L5-L173 HydrophobicContact CD1-CD2 4.13Å; L5-L173 HydrophobicContact CD2-CD2 4.32Å
6F82.1Confident77.3Confident116 Ų11698 Ų9851%0.50955%0.554SS.*Hα-helixtrans-93.4-8.9-176.6-66.5-76000113.7E3 S8 F9 L169E3-F6 PolarHBondContact O-N 3.35Å; F6-S8 PolarHBondContact O-N 2.94Å; F6-S8 VanDerWaalsContact O-N 3.13Å; F6-F9 AromaticContact CD1-CD2 3.98Å; F6-F9 HydrophobicContact CD1-CD2 3.98Å; F6-F9 HydrophobicContact CD1-CE2 4.33Å; F6-F9 PolarHBondContact O-N 3.32Å; F6-L169 HydrophobicContact CD1-CD2 4.36Å; F6-L169 HydrophobicContact CE1-CD1 4.1Å; F6-L169 HydrophobicContact CE1-CD2 4Å; F6-L169 HydrophobicContact CZ-CD2 4.43Å
7A80.6Confident77.8Confident55 Ų5599.6 Ų99.646%0.45556%0.56SS.*G310 helixtrans-55-32.9-179.800000113.2E3 F9 I10E3-A7 PolarHBondContact O-N 3.28Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 3.4Å; A7-I10 PolarHBondContact O-N 3.45Å
8S79.8Confident78.2Confident57 Ų5798.5 Ų98.540%0.39956%0.558SS.*G310 helixtrans-68.9-20.117756.40000114.2F6 F92F6-S8 PolarHBondContact O-N 2.94Å; F6-S8 VanDerWaalsContact O-N 3.13Å; S8-F92 WeakPolarHBondContact O-CD2 3.41Å
9F82.9Confident78.6Confident22 Ų2293.9 Ų93.910%0.09653%0.534CS..G310 helixtrans-93.9-10178.4-58.1-69.9000112.9F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 AromaticContact CD1-CD2 3.98Å; F6-F9 HydrophobicContact CD1-CD2 3.98Å; F6-F9 HydrophobicContact CD1-CE2 4.33Å; F6-F9 PolarHBondContact O-N 3.32Å; A7-F9 VanDerWaalsContact C-N 3.26Å; A7-F9 PolarHBondContact O-N 3.4Å; F9-A11 PolarHBondContact O-N 2.96Å; F9-T96 HydrophobicContact CD1-CG2 3.83Å; F9-T96 HydrophobicContact CE1-CG2 3.73Å; F9-Q97 PolarHBondContact O-NE2 3.29Å; F9-T165 HydrophobicContact CE1-CG2 4.25Å; F9-H168 HydrophobicContact CE1-CB 4.07Å; F9-H168 HydrophobicContact CZ-CB 3.8Å; F9-L169 HydrophobicContact CE2-CD1 4.47Å; F9-L169 HydrophobicContact CE2-CD2 3.68Å; F9-L169 HydrophobicContact CE2-CG 3.78Å; F9-L169 HydrophobicContact CZ-CD2 4.3Å; F9-L169 HydrophobicContact CZ-CG 3.92Å
10I84.9Confident79Confident110 Ų11090.2 Ų90.256%0.56452%0.515SS*.SBendtrans-69.6129.9178.3-58.7175.7000108.4A7 P12A7-I10 PolarHBondContact O-N 3.45Å; I10-P12 WeakPolarHBondContact O-CD 3.41Å
11A83.8Confident79.3Confident51 Ų5189.8 Ų89.842%0.42151%0.514SS..PPolyproline II helixtrans-59.1120.9179.800000110.2F9 T13 F92F9-A11 PolarHBondContact O-N 2.96Å; A11-T13 PolarHBondContact O-N 2.93Å; A11-F92 HydrophobicContact CB-CZ 4.48Å
12P83.8Confident80.8Confident37 Ų3786.3 Ų86.324%0.2450%0.499CS..PPolyproline II helixtrans-70.8127.2-17426.8-33.3000110I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.41Å; P12-A19 HydrophobicContact CB-CB 4.21Å; P12-A19 HydrophobicContact CG-CB 4.31Å; P12-A19 WeakPolarHBondContact O-CB 3.37Å; P12-A19 PolarHBondContact O-N 3.48Å; P12-I23 HydrophobicContact CG-CD1 3.68Å; P12-F92 HydrophobicContact CG-CB 4.39Å; P12-F92 HydrophobicContact CG-CD1 4.12Å; P12-F92 HydrophobicContact CG-CG 4.09Å
13T86.9Confident82.6Confident100 Ų10082.1 Ų82.161%0.61348%0.475SS*.EExtended strand (participates in β ladder)trans-118.2125.2170.653.10000108.4A11 L17A11-T13 PolarHBondContact O-N 2.93Å; T13-L17 CarbonylContact C-O 3.55Å; T13-L17 VanDerWaalsContact CA-O 3.29Å; T13-L17 WeakPolarHBondContact CA-O 3.46Å
14I87Confident84Confident109 Ų10977.1 Ų77.156%0.55945%0.453SS*.EExtended strand (participates in β ladder)trans-112.6122.4176.7-62.8172.8000106.3G16 L17 A19I14-G16 PolarHBondContact O-N 3.36Å; I14-G16 VanDerWaalsContact O-N 3.14Å; I14-L17 PolarHBondContact N-O 2.94Å; I14-L17 PolarHBondContact O-N 3.09Å; I14-A19 HydrophobicContact CB-CB 4.47Å; I14-A19 HydrophobicContact CD1-CB 3.85Å; I14-A19 HydrophobicContact CG1-CB 3.92Å
15L85.4Confident84.6Confident174 Ų17477 Ų7791%0.91145%0.452SS*.THydrogen-bonded Turntrans54.332.3179.7-70.4150000113.6L17L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 3.18Å
16G84.4Confident85.2Confident71 Ų7179.5 Ų79.573%0.73246%0.461SS*.THydrogen-bonded Turntrans79.3-2.3-177.500000115.2I14I14-G16 PolarHBondContact O-N 3.36Å; I14-G16 VanDerWaalsContact O-N 3.14Å
17L84.9Confident85.5Confident126 Ų12674.1 Ų74.166%0.6644%0.438SS*.EExtended strand (participates in β ladder)trans-93140.1173.2-67.1168.3000110.9T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.55Å; T13-L17 VanDerWaalsContact CA-O 3.29Å; T13-L17 WeakPolarHBondContact CA-O 3.46Å; I14-L17 PolarHBondContact N-O 2.94Å; I14-L17 PolarHBondContact O-N 3.09Å; L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 3.18Å; L17-A19 PolarHBondContact O-N 3.02Å
18P85.6Confident85.7Confident79 Ų7974.9 Ų74.951%0.51344%0.438SS..EExtended strand (participates in β ladder)trans-71.5100.617829.1-33.4000110.5A20 V21P18-A20 PolarHBondContact O-N 3.06Å; P18-V21 HydrophobicContact CB-CG2 4.48Å; P18-V21 HydrophobicContact CG-CG2 4.25Å; P18-V21 PolarHBondContact O-N 3.31Å
19A85.9Confident86.2Confident12 Ų1278.6 Ų78.610%0.09945%0.453CS..THydrogen-bonded Turntrans-68-1717700000112.3P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.21Å; P12-A19 HydrophobicContact CG-CB 4.31Å; P12-A19 WeakPolarHBondContact O-CB 3.37Å; P12-A19 PolarHBondContact O-N 3.48Å; I14-A19 HydrophobicContact CB-CB 4.47Å; I14-A19 HydrophobicContact CD1-CB 3.85Å; I14-A19 HydrophobicContact CG1-CB 3.92Å; L17-A19 PolarHBondContact O-N 3.02Å; A19-V21 PolarHBondContact O-N 2.86Å; A19-V21 VanDerWaalsContact O-N 3.16Å; A19-L22 PolarHBondContact O-N 2.94Å; A19-L22 VanDerWaalsContact O-N 3.13Å; A19-I23 PolarHBondContact O-N 3.5Å
20A85.9Confident86.4Confident19 Ų1981.1 Ų81.116%0.15747%0.467CS..Hα-helixtrans-53.5-32.7173.400000113.2P18 I23 I24 F92P18-A20 PolarHBondContact O-N 3.06Å; A20-I23 PolarHBondContact O-N 2.99Å; A20-I24 VanDerWaalsContact O-CG1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.45Å; A20-I24 PolarHBondContact O-N 3.49Å; A20-F92 HydrophobicContact CB-CE1 4.34Å
21V85.9Confident86.5Confident81 Ų8178.4 Ų78.449%0.49145%0.453SS..Hα-helixtrans-64.7-42.5179.3-179.50000111.4P18 A19 I23 I24 L25P18-V21 HydrophobicContact CB-CG2 4.48Å; P18-V21 HydrophobicContact CG-CG2 4.25Å; P18-V21 PolarHBondContact O-N 3.31Å; A19-V21 PolarHBondContact O-N 2.86Å; A19-V21 VanDerWaalsContact O-N 3.16Å; V21-I23 VanDerWaalsContact C-N 3.3Å; V21-I23 PolarHBondContact O-N 2.97Å; V21-I24 PolarHBondContact O-N 2.98Å; V21-L25 HydrophobicContact CG1-CD1 4.1Å; V21-L25 WeakPolarHBondContact O-CG 3.13Å; V21-L25 PolarHBondContact O-N 3.32Å; V21-L25 VanDerWaalsContact O-N 3.08Å
22L86.5Confident86.7Confident133 Ų13378.7 Ų78.770%0.69645%0.451SS*.Hα-helixtrans-62.4-40.4176.2-79.4163.1000111.3A19 L25 F26A19-L22 PolarHBondContact O-N 2.94Å; A19-L22 VanDerWaalsContact O-N 3.13Å; L22-L25 PolarHBondContact O-N 3.39Å; L22-F26 PolarHBondContact O-N 3.26Å
23I88Confident86.9Confident55 Ų5583.5 Ų83.528%0.28248%0.479SS..Hα-helixtrans-66.9-40.6179.8-58.9172.6000110.7P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.68Å; A19-I23 PolarHBondContact O-N 3.5Å; A20-I23 PolarHBondContact O-N 2.99Å; V21-I23 VanDerWaalsContact C-N 3.3Å; V21-I23 PolarHBondContact O-N 2.97Å; I23-L25 VanDerWaalsContact C-N 3.3Å; I23-L25 PolarHBondContact O-N 3.43Å; I23-F26 WeakPolarHBondContact O-CB 3.46Å; I23-F26 PolarHBondContact O-N 3.43Å; I23-P27 WeakPolarHBondContact O-CD 3.31Å; I23-F92 HydrophobicContact CD1-CB 3.99Å; I23-F92 HydrophobicContact CD1-CD1 3.89Å; I23-F92 HydrophobicContact CD1-CG 4.33Å; I23-F92 HydrophobicContact CG2-CD1 4.44Å; I23-F92 WeakPolarHBondContact CG2-O 3.47Å
24I88.1Confident86.9Confident50 Ų5080.5 Ų80.526%0.25646%0.463SS..Hα-helixtrans-66-32.6176.5-68164.1000111.8A20 V21 F26 P27 F78 P94 M100A20-I24 VanDerWaalsContact O-CG1 3.27Å; A20-I24 WeakPolarHBondContact O-CG1 3.45Å; A20-I24 PolarHBondContact O-N 3.49Å; V21-I24 PolarHBondContact O-N 2.98Å; I24-F26 VanDerWaalsContact C-N 3.34Å; I24-P27 WeakPolarHBondContact O-CD 2.91Å; I24-F78 HydrophobicContact CG2-CZ 4.37Å; I24-P94 HydrophobicContact CD1-CB 4.26Å; I24-P94 HydrophobicContact CG1-CB 3.68Å; I24-P94 HydrophobicContact CG1-CG 4.05Å; I24-M100 HydrophobicContact CD1-SD 4.41Å; I24-M100 HydrophobicContact CG2-CE 4.31Å
25L87.6Confident86.9Confident114 Ų11485.5 Ų85.560%0.59748%0.48SS*.Hα-helixtrans-81.8-10.4178.9-72172.5000114.1V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.1Å; V21-L25 WeakPolarHBondContact O-CG 3.13Å; V21-L25 PolarHBondContact O-N 3.32Å; V21-L25 VanDerWaalsContact O-N 3.08Å; L22-L25 PolarHBondContact O-N 3.39Å; I23-L25 VanDerWaalsContact C-N 3.3Å; I23-L25 PolarHBondContact O-N 3.43Å; L25-P28 WeakPolarHBondContact O-CD 3.45Å
26F89.1Confident87Confident99 Ų9986 Ų8643%0.43447%0.471SS..Hα-helixtrans-70.9-42.4-176.8-171.1-98.9000114.9L22 I23 I24 L29 L30 L85L22-F26 PolarHBondContact O-N 3.26Å; I23-F26 WeakPolarHBondContact O-CB 3.46Å; I23-F26 PolarHBondContact O-N 3.43Å; I24-F26 VanDerWaalsContact C-N 3.34Å; F26-L29 VanDerWaalsContact O-CB 3.31Å; F26-L29 WeakPolarHBondContact O-CB 3.27Å; F26-L29 PolarHBondContact O-N 3.13Å; F26-L30 HydrophobicContact CD1-CD1 4.41Å; F26-L30 HydrophobicContact CE1-CD1 4.1Å; F26-L30 HydrophobicContact CE1-CD2 4.23Å; F26-L30 HydrophobicContact CE1-CG 4.24Å; F26-L30 HydrophobicContact CZ-CD2 4.43Å; F26-L85 HydrophobicContact CD1-CD2 3.3Å; F26-L85 HydrophobicContact CE1-CD2 3.51Å
27P89Confident86.8Confident3 Ų391 Ų912%0.01948%0.481CS..Hα-helixtrans-57.3-41.5-178.8-16.523.6000115.4I23 I24 L29 L30 T81 T82I23-P27 WeakPolarHBondContact O-CD 3.31Å; I24-P27 WeakPolarHBondContact O-CD 2.91Å; P27-L29 PolarHBondContact O-N 2.9Å; P27-L30 WeakPolarHBondContact O-CB 3.45Å; P27-L30 PolarHBondContact O-N 3.18Å; P27-L30 VanDerWaalsContact O-N 3.08Å; P27-T81 WeakPolarHBondContact CB-OG1 3.24Å; P27-T82 HydrophobicContact CB-CG2 4.32Å; P27-T82 HydrophobicContact CG-CG2 3.57Å
28P85.2Confident86.9Confident71 Ų7192.5 Ų92.546%0.46149%0.488SS..Hα-helixtrans-55.7-32.7173.6-27.233.2000114.3L25 L30 I31L25-P28 WeakPolarHBondContact O-CD 3.45Å; P28-L30 PolarHBondContact O-N 3.3Å; P28-I31 PolarHBondContact O-N 3.45Å
29L88.6Confident87.2Confident134 Ų13489.9 Ų89.970%0.70247%0.469SS*.Hα-helixtrans-67.5-25.2179.6-172.464.9000112.4F26 P27 I31F26-L29 VanDerWaalsContact O-CB 3.31Å; F26-L29 WeakPolarHBondContact O-CB 3.27Å; F26-L29 PolarHBondContact O-N 3.13Å; P27-L29 PolarHBondContact O-N 2.9Å; L29-I31 PolarHBondContact O-N 3.38Å
30L88Confident87.4Confident76 Ų7694.9 Ų94.940%0.39849%0.494SS..THydrogen-bonded Turntrans-75.5-5.3178.5-64.2175.2000113.8F26 P27 P28 P32 Q46 L85F26-L30 HydrophobicContact CD1-CD1 4.41Å; F26-L30 HydrophobicContact CE1-CD1 4.1Å; F26-L30 HydrophobicContact CE1-CD2 4.23Å; F26-L30 HydrophobicContact CE1-CG 4.24Å; F26-L30 HydrophobicContact CZ-CD2 4.43Å; P27-L30 WeakPolarHBondContact O-CB 3.45Å; P27-L30 PolarHBondContact O-N 3.18Å; P27-L30 VanDerWaalsContact O-N 3.08Å; P28-L30 PolarHBondContact O-N 3.3Å; L30-P32 WeakPolarHBondContact O-CD 3.47Å; L30-Q46 PolarHBondContact O-NE2 3.17Å; L30-Q46 VanDerWaalsContact O-NE2 3.16Å; L30-L85 HydrophobicContact CD1-CD1 3.46Å; L30-L85 VanDerWaalsContact CD1-CD1 3.46Å; L30-L85 HydrophobicContact CD1-CD2 3.86Å; L30-L85 HydrophobicContact CD1-CG 4.13Å
31I87.9Confident87.6Confident53 Ų53104 Ų10427%0.27253%0.525SS..SBendtrans-109.680-179.4-53.9160.8000108.1P28 L29 I77P28-I31 PolarHBondContact O-N 3.45Å; L29-I31 PolarHBondContact O-N 3.38Å; I31-I77 HydrophobicContact CD1-CG2 3.35Å; I31-I77 HydrophobicContact CG1-CG2 4.41Å
32P87.1Confident87.8Confident57 Ų57104.3 Ų104.337%0.3752%0.523SS..  trans-66.1139.4178.627.2-33.8000110.6L30 L42 I43L30-P32 WeakPolarHBondContact O-CD 3.47Å; P32-L42 HydrophobicContact CG-CD2 3.66Å; P32-I43 HydrophobicContact CB-CD1 4.44Å; P32-I43 HydrophobicContact CB-CG1 4.48Å; P32-I43 HydrophobicContact CG-CD1 4.43Å; P32-I43 HydrophobicContact CG-CG1 3.98Å
33T87.4Confident88Confident137 Ų13798.9 Ų98.984%0.8449%0.494SS*.  trans-104.7141.4171.458.40000109.6
34S88.1Confident88.2Confident38 Ų3899.2 Ų99.227%0.26650%0.499SS..  trans-124144.6174.5169.40000110Y36 N39S34-Y36 PolarHBondContact OG-N 3.46Å; S34-Y36 VanDerWaalsContact OG-N 3.11Å; S34-N39 WeakPolarHBondContact CB-OD1 3.49Å; S34-N39 PolarHBondContact OG-OD1 3.21Å
35K86.8Confident88.4Confident214 Ų214100.9 Ų100.993%0.9351%0.512SS*.  trans-86.6-13.3175.2-62.2-178.9-178.7178.60112.8
36Y87.8Confident88.6Confident183 Ų18397.6 Ų97.672%0.71849%0.493SS*.SBendtrans-80.7152.4-175.5-60.1-73.8000112S34 N39S34-Y36 PolarHBondContact OG-N 3.46Å; S34-Y36 VanDerWaalsContact OG-N 3.11Å; Y36-N39 PolarHBondContact O-ND2 3.07Å; Y36-N39 PolarHBondContact O-OD1 3.48Å
37L80.3Confident88.6Confident178 Ų17897.5 Ų97.593%0.93249%0.494SS*.SBendtrans-71.6-40.2177-174.470.1000111.6
38I87.1Confident88.8Confident157 Ų157105.4 Ų105.481%0.80552%0.524SS*.SBendtrans-101.7112.9174.6-58.7171.2000107.3
39N90.3Very high89.1Confident24 Ų24106.6 Ų106.613%0.12853%0.526CS..  trans-107.6169.9-174.4-73.3-23.6000112.7S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.49Å; S34-N39 PolarHBondContact OG-OD1 3.21Å; Y36-N39 PolarHBondContact O-ND2 3.07Å; Y36-N39 PolarHBondContact O-OD1 3.48Å; N39-I43 HydrophobicContact CB-CB 3.92Å; N39-I43 HydrophobicContact CB-CG2 3.79Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.43Å; N39-T44 HydrophobicContact CB-CG2 4.18Å; N39-Q47 PolarHBondContact ND2-NE2 3.33Å
40N90.3Very high89.2Confident116 Ų116102.9 Ų102.962%0.6251%0.506SS*.  trans-63.7153.5172.4-165.71.2000111.2L42 I43 T44N40-L42 PolarHBondContact O-N 3.28Å; N40-L42 VanDerWaalsContact O-N 3.12Å; N40-I43 PolarHBondContact O-N 3.36Å; N40-T44 PolarHBondContact O-N 2.85Å
41R90.1Very high89.4Confident211 Ų211106.6 Ų106.680%0.79652%0.519SS*.Hα-helixtrans-51.6-37.2-178.5-64.3-177.4-179.1-1780.5113.2T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.25Å; R41-T44 PolarHBondContact O-OG1 3.15Å; R41-T45 WeakPolarHBondContact O-CG2 3.22Å; R41-T45 PolarHBondContact O-N 2.85Å; R41-T45 VanDerWaalsContact O-N 3.09Å; R41-T45 PolarHBondContact O-OG1 3.39Å
42L90.2Very high89.6Confident88 Ų88107.3 Ų107.346%0.46152%0.523SS..Hα-helixtrans-67.5-41.6178.6-172.9153.2000111.9P32 N40 T45 Q46P32-L42 HydrophobicContact CG-CD2 3.66Å; N40-L42 PolarHBondContact O-N 3.28Å; N40-L42 VanDerWaalsContact O-N 3.12Å; L42-T45 PolarHBondContact O-OG1 3.46Å; L42-Q46 VanDerWaalsContact CD2-CD 3.45Å; L42-Q46 HydrophobicContact CD2-CG 4.29Å; L42-Q46 WeakPolarHBondContact O-CB 3.31Å; L42-Q46 VanDerWaalsContact O-CG 3.25Å; L42-Q46 WeakPolarHBondContact O-CG 3.21Å; L42-Q46 PolarHBondContact O-N 2.96Å
43I92Very high89.6Confident18 Ų18105.7 Ų105.79%0.09251%0.512CS..Hα-helixtrans-71.2-36.7179.2-61.8173.2000110P32 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.44Å; P32-I43 HydrophobicContact CB-CG1 4.48Å; P32-I43 HydrophobicContact CG-CD1 4.43Å; P32-I43 HydrophobicContact CG-CG1 3.98Å; N39-I43 HydrophobicContact CB-CB 3.92Å; N39-I43 HydrophobicContact CB-CG2 3.79Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.43Å; N40-I43 PolarHBondContact O-N 3.36Å; I43-Q46 PolarHBondContact O-N 2.99Å; I43-Q47 HydrophobicContact CG2-CG 4.25Å; I43-Q47 WeakPolarHBondContact O-CB 3.32Å; I43-Q47 VanDerWaalsContact O-CG 3.25Å; I43-Q47 WeakPolarHBondContact O-CG 3.34Å; I43-Q47 PolarHBondContact O-N 3.25Å
44T91.7Very high89.7Confident62 Ų62100.5 Ų100.538%0.3848%0.482SS..Hα-helixtrans-67.7-40177.959.80000112.2N39 N40 R41 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.18Å; N40-T44 PolarHBondContact O-N 2.85Å; R41-T44 WeakPolarHBondContact CA-OG1 3.25Å; R41-T44 PolarHBondContact O-OG1 3.15Å; T44-Q47 PolarHBondContact O-N 3.38Å; T44-W48 VanDerWaalsContact O-CB 3.3Å; T44-W48 WeakPolarHBondContact O-CB 3.39Å; T44-W48 PolarHBondContact O-N 3.15Å
45T91.4Very high89.8Confident85 Ų85105.9 Ų105.952%0.52150%0.5SS..Hα-helixtrans-67-39.4174.356.60000111.9R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.22Å; R41-T45 PolarHBondContact O-N 2.85Å; R41-T45 VanDerWaalsContact O-N 3.09Å; R41-T45 PolarHBondContact O-OG1 3.39Å; L42-T45 PolarHBondContact O-OG1 3.46Å; T45-W48 PolarHBondContact O-N 3.15Å; T45-L49 WeakPolarHBondContact O-CB 3.46Å; T45-L49 PolarHBondContact O-N 3.36Å
46Q91.3Very high89.8Confident46 Ų46101.6 Ų101.622%0.21548%0.483CS..Hα-helixtrans-61.3-49.8173.6-76.1176.9-18.100111.9L30 L42 I43 W48 L49 I50L30-Q46 PolarHBondContact O-NE2 3.17Å; L30-Q46 VanDerWaalsContact O-NE2 3.16Å; L42-Q46 VanDerWaalsContact CD2-CD 3.45Å; L42-Q46 HydrophobicContact CD2-CG 4.29Å; L42-Q46 WeakPolarHBondContact O-CB 3.31Å; L42-Q46 VanDerWaalsContact O-CG 3.25Å; L42-Q46 WeakPolarHBondContact O-CG 3.21Å; L42-Q46 PolarHBondContact O-N 2.96Å; I43-Q46 PolarHBondContact O-N 2.99Å; Q46-W48 VanDerWaalsContact C-N 3.3Å; Q46-W48 PolarHBondContact O-N 3.34Å; Q46-L49 PolarHBondContact O-N 2.98Å; Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.38Å; Q46-I50 PolarHBondContact O-N 3.17Å
47Q90.9Very high89.6Confident97 Ų9793.5 Ų93.545%0.45345%0.452SS..Hα-helixtrans-61.2-39.3177.8-74.5176.4-14.400112.1N39 I43 T44 I50 K51N39-Q47 PolarHBondContact ND2-NE2 3.33Å; I43-Q47 HydrophobicContact CG2-CG 4.25Å; I43-Q47 WeakPolarHBondContact O-CB 3.32Å; I43-Q47 VanDerWaalsContact O-CG 3.25Å; I43-Q47 WeakPolarHBondContact O-CG 3.34Å; I43-Q47 PolarHBondContact O-N 3.25Å; T44-Q47 PolarHBondContact O-N 3.38Å; Q47-I50 PolarHBondContact O-N 2.91Å; Q47-K51 WeakPolarHBondContact O-CB 3.38Å; Q47-K51 PolarHBondContact O-N 3.34Å
48W92.6Very high89.8Confident169 Ų16986.3 Ų86.364%0.6441%0.414SS*.Hα-helixtrans-62.7-44.5175.1-179.781.8000111.8T44 T45 Q46 K51 L52T44-W48 VanDerWaalsContact O-CB 3.3Å; T44-W48 WeakPolarHBondContact O-CB 3.39Å; T44-W48 PolarHBondContact O-N 3.15Å; T45-W48 PolarHBondContact O-N 3.15Å; Q46-W48 VanDerWaalsContact C-N 3.3Å; Q46-W48 PolarHBondContact O-N 3.34Å; W48-K51 PolarHBondContact O-N 3.18Å; W48-L52 HydrophobicContact CD2-CD1 3.75Å; W48-L52 HydrophobicContact CD2-CG 4.42Å; W48-L52 VanDerWaalsContact CE2-CD1 3.5Å; W48-L52 HydrophobicContact CE3-CD1 3.8Å; W48-L52 HydrophobicContact CH2-CD1 3.43Å; W48-L52 VanDerWaalsContact CH2-CD1 3.43Å; W48-L52 HydrophobicContact CZ2-CD1 3.38Å; W48-L52 HydrophobicContact CZ2-CG 4.45Å; W48-L52 HydrophobicContact CZ3-CD1 3.64Å; W48-L52 WeakPolarHBondContact O-CG 3.28Å; W48-L52 PolarHBondContact O-N 2.83Å
49L91.3Very high89.7Confident95 Ų9583.9 Ų83.950%0.49741%0.407SS..Hα-helixtrans-63.9-44.7177.5-168.3143.9000111.7T45 Q46 K51 L52 T53T45-L49 WeakPolarHBondContact O-CB 3.46Å; T45-L49 PolarHBondContact O-N 3.36Å; Q46-L49 PolarHBondContact O-N 2.98Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 3.25Å; L49-L52 PolarHBondContact O-N 3.28Å; L49-T53 HydrophobicContact CD2-CG2 4.11Å; L49-T53 WeakPolarHBondContact O-CG2 3.35Å; L49-T53 PolarHBondContact O-N 3.29Å; L49-T53 PolarHBondContact O-OG1 3.42Å; L49-T53 VanDerWaalsContact O-OG1 3.14Å
50I91.6Very high89.1Confident56 Ų5688.9 Ų88.929%0.28743%0.431SS..Hα-helixtrans-60.4-41.8175.8-67169.6000111.3Q46 Q47 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.25Å; Q46-I50 WeakPolarHBondContact O-CG1 3.38Å; Q46-I50 PolarHBondContact O-N 3.17Å; Q47-I50 PolarHBondContact O-N 2.91Å; I50-T53 PolarHBondContact O-OG1 2.94Å; I50-T53 VanDerWaalsContact O-OG1 3.11Å; I50-S54 VanDerWaalsContact O-CB 3.28Å; I50-S54 WeakPolarHBondContact O-CB 3.37Å; I50-S54 PolarHBondContact O-N 3.07Å; I50-S54 PolarHBondContact O-OG 2.93Å; I50-V73 HydrophobicContact CG2-CG1 3.85Å; I50-I77 HydrophobicContact CD1-CD1 4.01Å; I50-I77 HydrophobicContact CG1-CD1 3.71Å
51K91.3Very high88.7Confident154 Ų15483.9 Ų83.967%0.6740%0.404SS*.Hα-helixtrans-64.8-39.4177.6-175176.8179.9178.30112Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.38Å; Q47-K51 PolarHBondContact O-N 3.34Å; W48-K51 PolarHBondContact O-N 3.18Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 3.25Å; K51-S54 WeakPolarHBondContact CA-OG 3.46Å; K51-S54 PolarHBondContact O-OG 2.99Å; K51-S54 VanDerWaalsContact O-OG 3.05Å; K51-K55 VanDerWaalsContact O-CB 3.25Å; K51-K55 WeakPolarHBondContact O-CB 3.31Å; K51-K55 PolarHBondContact O-N 3.39Å
52L91.5Very high88.3Confident68 Ų6879 Ų7936%0.35639%0.394SS..Hα-helixtrans-68.4-49.1177.9-74.5176.8000112.1W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.75Å; W48-L52 HydrophobicContact CD2-CG 4.42Å; W48-L52 VanDerWaalsContact CE2-CD1 3.5Å; W48-L52 HydrophobicContact CE3-CD1 3.8Å; W48-L52 HydrophobicContact CH2-CD1 3.43Å; W48-L52 VanDerWaalsContact CH2-CD1 3.43Å; W48-L52 HydrophobicContact CZ2-CD1 3.38Å; W48-L52 HydrophobicContact CZ2-CG 4.45Å; W48-L52 HydrophobicContact CZ3-CD1 3.64Å; W48-L52 WeakPolarHBondContact O-CG 3.28Å; W48-L52 PolarHBondContact O-N 2.83Å; L49-L52 PolarHBondContact O-N 3.28Å; L52-K55 PolarHBondContact O-N 3.36Å; L52-Q56 WeakPolarHBondContact O-CG 3.34Å; L52-Q56 PolarHBondContact O-N 3.41Å
53T88.8Confident87.8Confident23 Ų2380.4 Ų80.414%0.14141%0.406CS..Hα-helixtrans-63.4-46-178.954.10000111.1L49 I50 K55 Q56 M57L49-T53 HydrophobicContact CD2-CG2 4.11Å; L49-T53 WeakPolarHBondContact O-CG2 3.35Å; L49-T53 PolarHBondContact O-N 3.29Å; L49-T53 PolarHBondContact O-OG1 3.42Å; L49-T53 VanDerWaalsContact O-OG1 3.14Å; I50-T53 PolarHBondContact O-OG1 2.94Å; I50-T53 VanDerWaalsContact O-OG1 3.11Å; T53-K55 PolarHBondContact O-N 3.27Å; T53-Q56 PolarHBondContact O-N 3.49Å; T53-M57 WeakPolarHBondContact O-CG 3.22Å; T53-M57 PolarHBondContact O-N 3.14Å
54S89.3Confident87.2Confident29 Ų2985.8 Ų85.820%0.20343%0.429CS..Hα-helixtrans-59.5-46.1175570000111.9I50 K51 Q56 M57 M58I50-S54 VanDerWaalsContact O-CB 3.28Å; I50-S54 WeakPolarHBondContact O-CB 3.37Å; I50-S54 PolarHBondContact O-N 3.07Å; I50-S54 PolarHBondContact O-OG 2.93Å; K51-S54 WeakPolarHBondContact CA-OG 3.46Å; K51-S54 PolarHBondContact O-OG 2.99Å; K51-S54 VanDerWaalsContact O-OG 3.05Å; S54-Q56 PolarHBondContact O-N 3.39Å; S54-M57 PolarHBondContact O-N 3.19Å; S54-M58 VanDerWaalsContact O-CB 3.3Å; S54-M58 WeakPolarHBondContact O-CB 3.38Å; S54-M58 PolarHBondContact O-N 3.14Å
55K89.3Confident86.6Confident150 Ų15082.8 Ų82.865%0.65241%0.411SS*.Hα-helixtrans-60-44.1178.1-173.2178.7179.7-175.90112K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.25Å; K51-K55 WeakPolarHBondContact O-CB 3.31Å; K51-K55 PolarHBondContact O-N 3.39Å; L52-K55 PolarHBondContact O-N 3.36Å; T53-K55 PolarHBondContact O-N 3.27Å; K55-T59 WeakPolarHBondContact O-CG2 3.43Å; K55-T59 PolarHBondContact O-N 3.36Å
56Q86.6Confident86.2Confident124 Ų12482.9 Ų82.958%0.57941%0.405SS*.Hα-helixtrans-69.3-37.1-179.2-74179.8-25.100113.3L52 T53 S54 T59L52-Q56 WeakPolarHBondContact O-CG 3.34Å; L52-Q56 PolarHBondContact O-N 3.41Å; T53-Q56 PolarHBondContact O-N 3.49Å; S54-Q56 PolarHBondContact O-N 3.39Å; Q56-T59 PolarHBondContact O-OG1 2.83Å
57M84.6Confident86Confident14 Ų1485.6 Ų85.67%0.06943%0.425CS..Hα-helixtrans-75.1-36.7177.9-70.1-176.117200112.2T53 S54 T59 H61 L72 I76 T215T53-M57 WeakPolarHBondContact O-CG 3.22Å; T53-M57 PolarHBondContact O-N 3.14Å; S54-M57 PolarHBondContact O-N 3.19Å; M57-T59 PolarHBondContact O-N 3.43Å; M57-H61 PolarHBondContact O-ND1 3.04Å; M57-L72 HydrophobicContact SD-CB 4.34Å; M57-I76 HydrophobicContact CE-CB 4.45Å; M57-I76 HydrophobicContact CE-CD1 3.62Å; M57-T215 VanDerWaalsContact CE-OG1 3.22Å; M57-T215 WeakPolarHBondContact CE-OG1 3.42Å
58M84.1Confident85.7Confident26 Ų2683.5 Ų83.513%0.12841%0.413CS..Hα-helixtrans-75.8-23.2-174.7-133.563.562.700114.3S54 M60 H61 Q66 S69S54-M58 VanDerWaalsContact O-CB 3.3Å; S54-M58 WeakPolarHBondContact O-CB 3.38Å; S54-M58 PolarHBondContact O-N 3.14Å; M58-M60 PolarHBondContact O-N 3.33Å; M58-M60 VanDerWaalsContact O-N 3.17Å; M58-H61 PolarHBondContact O-N 2.81Å; M58-Q66 HydrophobicContact CG-CB 4.05Å; M58-Q66 HydrophobicContact CG-CG 3.6Å; M58-Q66 HydrophobicContact SD-CB 3.94Å; M58-Q66 HydrophobicContact SD-CG 3.98Å; M58-S69 WeakPolarHBondContact CE-OG 3.35Å
59T84.6Confident85.5Confident106 Ų10677.2 Ų77.265%0.6539%0.394SS*.THydrogen-bonded Turntrans-60-26.6-179.447.30000112.6K55 Q56 M57K55-T59 WeakPolarHBondContact O-CG2 3.43Å; K55-T59 PolarHBondContact O-N 3.36Å; Q56-T59 PolarHBondContact O-OG1 2.83Å; M57-T59 PolarHBondContact O-N 3.43Å
60M77.8Confident85.5Confident130 Ų13079.3 Ų79.364%0.6441%0.406SS*.THydrogen-bonded Turntrans-85.2-8.7178.9-53-161.884.500113.3M58 H223M58-M60 PolarHBondContact O-N 3.33Å; M58-M60 VanDerWaalsContact O-N 3.17Å; M60-H223 PolarHBondContact O-CE1 3.32Å; M60-H223 PolarHBondContact O-ND1 3.26Å
61H82.4Confident85.4Confident10 Ų1079.4 Ų79.45%0.04641%0.405CS..  trans-110.9139.1-168.8-70.778000113.7M57 M58 Q66 S219M57-H61 PolarHBondContact O-ND1 3.04Å; M58-H61 PolarHBondContact O-N 2.81Å; H61-Q66 HydrophobicContact CB-CG 4.25Å; H61-Q66 PolarHBondContact O-NE2 2.78Å; H61-S219 PolarHBondContact NE2-O 3.19Å
62N80.6Confident85.4Confident110 Ų11072.2 Ų72.259%0.58837%0.374SS*.  trans-71.2163.2167-81.8-19.2000111.9K64 G65 Q66N62-K64 PolarHBondContact O-N 3.45Å; N62-G65 WeakPolarHBondContact O-CA 3Å; N62-G65 PolarHBondContact O-N 3.18Å; N62-Q66 WeakPolarHBondContact O-CG 3.24Å; N62-Q66 PolarHBondContact O-N 3.15Å
63T80.5Confident85.4Confident117 Ų11769.8 Ų69.872%0.71836%0.362SS*.Hα-helixtrans-47.6-37.8-175.255.60000114.8Q66T63-Q66 PolarHBondContact O-N 3.21Å
64K79.3Confident85.5Confident130 Ų13071.8 Ų71.857%0.56538%0.377SS*.Hα-helixtrans-67.5-43.8174.7-69.5-176.9-178.4176.50112.7N62 Q66 T67N62-K64 PolarHBondContact O-N 3.45Å; K64-Q66 VanDerWaalsContact C-N 3.27Å; K64-Q66 PolarHBondContact O-N 2.95Å; K64-T67 WeakPolarHBondContact O-CB 3.18Å; K64-T67 PolarHBondContact O-N 3.16Å; K64-T67 PolarHBondContact O-OG1 3.23Å
65G78.6Confident85.5Confident0 Ų071.2 Ų71.20%037%0.372CS..Hα-helixtrans-65.7-30.4175.800000112.5N62 T67 W68N62-G65 WeakPolarHBondContact O-CA 3Å; N62-G65 PolarHBondContact O-N 3.18Å; G65-T67 PolarHBondContact O-N 3.2Å; G65-T67 VanDerWaalsContact O-N 3.16Å; G65-W68 PolarHBondContact O-N 3.38Å; G65-W68 VanDerWaalsContact O-N 3.08Å
66Q83.9Confident85.6Confident87 Ų8764.8 Ų64.841%0.40734%0.344SS..Hα-helixtrans-64.2-19.8176.8-55.8-168-21.400113.6M58 H61 N62 T63 K64 W68 S69M58-Q66 HydrophobicContact CG-CB 4.05Å; M58-Q66 HydrophobicContact CG-CG 3.6Å; M58-Q66 HydrophobicContact SD-CB 3.94Å; M58-Q66 HydrophobicContact SD-CG 3.98Å; H61-Q66 HydrophobicContact CB-CG 4.25Å; H61-Q66 PolarHBondContact O-NE2 2.78Å; N62-Q66 WeakPolarHBondContact O-CG 3.24Å; N62-Q66 PolarHBondContact O-N 3.15Å; T63-Q66 PolarHBondContact O-N 3.21Å; K64-Q66 VanDerWaalsContact C-N 3.27Å; K64-Q66 PolarHBondContact O-N 2.95Å; Q66-W68 PolarHBondContact O-N 2.93Å; Q66-S69 WeakPolarHBondContact O-CB 3.44Å; Q66-S69 PolarHBondContact O-N 3.37Å; Q66-S69 VanDerWaalsContact O-N 3.1Å
67T86.4Confident85.8Confident102 Ų10260.5 Ų60.563%0.62633%0.325SS*.THydrogen-bonded Turntrans-63.7-25.2174.463.20000112.8K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.18Å; K64-T67 PolarHBondContact O-N 3.16Å; K64-T67 PolarHBondContact O-OG1 3.23Å; G65-T67 PolarHBondContact O-N 3.2Å; G65-T67 VanDerWaalsContact O-N 3.16Å; T67-S69 VanDerWaalsContact C-N 3.26Å; T67-S69 PolarHBondContact O-N 3.07Å
68W85.9Confident86.1Confident53 Ų5362.2 Ų62.220%0.20133%0.332CS..THydrogen-bonded Turntrans-84.30.8177.6-72.662.2000113.6G65 Q66 L70 M71 L72 M115 L222G65-W68 PolarHBondContact O-N 3.38Å; G65-W68 VanDerWaalsContact O-N 3.08Å; Q66-W68 PolarHBondContact O-N 2.93Å; W68-L70 VanDerWaalsContact C-N 3.31Å; W68-L70 PolarHBondContact O-N 3.3Å; W68-M71 HydrophobicContact CD2-CE 4.44Å; W68-M71 HydrophobicContact CE3-CE 3.22Å; W68-M71 HydrophobicContact CE3-SD 3.62Å; W68-M71 HydrophobicContact CZ3-CE 3.41Å; W68-M71 VanDerWaalsContact CZ3-CE 3.41Å; W68-M71 HydrophobicContact CZ3-SD 3.51Å; W68-M71 VanDerWaalsContact CZ3-SD 3.51Å; W68-M71 PolarHBondContact O-N 2.78Å; W68-M71 VanDerWaalsContact O-N 3.07Å; W68-L72 PolarHBondContact O-N 2.83Å; W68-M115 HydrophobicContact CZ2-SD 3.82Å; W68-M115 PolarHBondContact NE1-SD 2.81Å; W68-L222 HydrophobicContact CB-CD2 3.44Å; W68-L222 VanDerWaalsContact CB-CD2 3.44Å; W68-L222 HydrophobicContact CD2-CD1 3.78Å; W68-L222 HydrophobicContact CD2-CD2 4.12Å; W68-L222 HydrophobicContact CE3-CD1 4.11Å; W68-L222 HydrophobicContact CG-CD1 4Å; W68-L222 HydrophobicContact CG-CD2 3.56Å; W68-L222 HydrophobicContact CG-CG 4.45Å
69S87.4Confident86.4Confident37 Ų3761 Ų6126%0.25933%0.326SS..Hα-helixtrans-41.5-55.3175.8164.80000113.4M58 Q66 T67 M71 L72 V73M58-S69 WeakPolarHBondContact CE-OG 3.35Å; Q66-S69 WeakPolarHBondContact O-CB 3.44Å; Q66-S69 PolarHBondContact O-N 3.37Å; Q66-S69 VanDerWaalsContact O-N 3.1Å; T67-S69 VanDerWaalsContact C-N 3.26Å; T67-S69 PolarHBondContact O-N 3.07Å; S69-M71 VanDerWaalsContact C-N 3.28Å; S69-M71 PolarHBondContact O-N 2.94Å; S69-L72 PolarHBondContact O-N 3.14Å; S69-V73 WeakPolarHBondContact O-CB 3.16Å; S69-V73 VanDerWaalsContact O-CG2 3.29Å; S69-V73 WeakPolarHBondContact O-CG2 3.19Å; S69-V73 PolarHBondContact O-N 2.97Å
70L90.7Very high86.7Confident140 Ų14057.4 Ų57.473%0.73331%0.307SS*.Hα-helixtrans-62-39.8-175-176.168.9000111.4W68 S74W68-L70 VanDerWaalsContact C-N 3.31Å; W68-L70 PolarHBondContact O-N 3.3Å; L70-S74 WeakPolarHBondContact O-CB 3.38Å; L70-S74 PolarHBondContact O-N 3.02Å; L70-S74 PolarHBondContact O-OG 2.79Å
71M90.8Very high87.3Confident57 Ų5752.7 Ų52.728%0.28129%0.285SS..Hα-helixtrans-69.1-44-179.9-165.2-162.17600111.2W68 S69 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 4.44Å; W68-M71 HydrophobicContact CE3-CE 3.22Å; W68-M71 HydrophobicContact CE3-SD 3.62Å; W68-M71 HydrophobicContact CZ3-CE 3.41Å; W68-M71 VanDerWaalsContact CZ3-CE 3.41Å; W68-M71 HydrophobicContact CZ3-SD 3.51Å; W68-M71 VanDerWaalsContact CZ3-SD 3.51Å; W68-M71 PolarHBondContact O-N 2.78Å; W68-M71 VanDerWaalsContact O-N 3.07Å; S69-M71 VanDerWaalsContact C-N 3.28Å; S69-M71 PolarHBondContact O-N 2.94Å; M71-S74 WeakPolarHBondContact CA-OG 3.33Å; M71-S74 PolarHBondContact O-OG 3.2Å; M71-L75 WeakPolarHBondContact O-CB 3.22Å; M71-L75 PolarHBondContact O-N 3.4Å; M71-L108 HydrophobicContact CE-CD2 3.23Å; M71-L108 HydrophobicContact CG-CD2 4.3Å; M71-L108 HydrophobicContact SD-CD2 3.48Å; M71-L108 WeakPolarHBondContact SD-CD2 3.34Å
72L90.1Very high87.7Confident4 Ų452.4 Ų52.42%0.02128%0.284CS..Hα-helixtrans-64.6-42.1177.9-68.8175000112.2M57 W68 S69 L75 I76 V218M57-L72 HydrophobicContact SD-CB 4.34Å; W68-L72 PolarHBondContact O-N 2.83Å; S69-L72 PolarHBondContact O-N 3.14Å; L72-L75 PolarHBondContact O-N 3.45Å; L72-I76 PolarHBondContact O-N 3.06Å; L72-V218 HydrophobicContact CD2-CB 4.17Å; L72-V218 HydrophobicContact CD2-CG1 3.83Å
73V91.3Very high88.2Confident16 Ų1647.2 Ų47.210%0.09726%0.257CS..Hα-helixtrans-68.5-43.4179.4172.30000111.4I50 S69 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.85Å; S69-V73 WeakPolarHBondContact O-CB 3.16Å; S69-V73 VanDerWaalsContact O-CG2 3.29Å; S69-V73 WeakPolarHBondContact O-CG2 3.19Å; S69-V73 PolarHBondContact O-N 2.97Å; V73-L75 VanDerWaalsContact C-N 3.33Å; V73-L75 PolarHBondContact O-N 2.9Å; V73-I76 VanDerWaalsContact O-CG2 3.26Å; V73-I76 WeakPolarHBondContact O-CG2 3.49Å; V73-I77 HydrophobicContact CG1-CD1 3.78Å; V73-I77 VanDerWaalsContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.45Å; V73-I77 WeakPolarHBondContact O-CG1 3.48Å; V73-I77 PolarHBondContact O-N 3.36Å
74S91.4Very high88.7Confident65 Ų6546.2 Ų46.246%0.45525%0.246SC..Hα-helixtrans-64.2-39.1175.754.10000112L70 M71 I77 F78L70-S74 WeakPolarHBondContact O-CB 3.38Å; L70-S74 PolarHBondContact O-N 3.02Å; L70-S74 PolarHBondContact O-OG 2.79Å; M71-S74 WeakPolarHBondContact CA-OG 3.33Å; M71-S74 PolarHBondContact O-OG 3.2Å; S74-I77 PolarHBondContact O-N 3.24Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.33Å; S74-F78 PolarHBondContact O-N 3.36Å
75L90.3Very high89.1Confident17 Ų1741.7 Ų41.79%0.08923%0.228CC..Hα-helixtrans-62.2-48.8177.6-174.879.5000112.8M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 WeakPolarHBondContact O-CB 3.22Å; M71-L75 PolarHBondContact O-N 3.4Å; L72-L75 PolarHBondContact O-N 3.45Å; V73-L75 VanDerWaalsContact C-N 3.33Å; V73-L75 PolarHBondContact O-N 2.9Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 3.33Å; L75-F78 PolarHBondContact O-N 2.88Å; L75-I79 HydrophobicContact CD1-CD1 4.04Å; L75-I79 HydrophobicContact CG-CD1 3.89Å; L75-I79 WeakPolarHBondContact O-CG1 3.38Å; L75-I79 PolarHBondContact O-N 3.48Å; L75-L108 HydrophobicContact CD1-CD1 3.49Å; L75-L108 VanDerWaalsContact CD1-CD1 3.49Å; L75-L108 HydrophobicContact CD2-CD1 3.8Å; L75-L108 HydrophobicContact CG-CD1 4.31Å; L75-F214 HydrophobicContact CD1-CE1 4.17Å; L75-F214 HydrophobicContact CD2-CD1 3.92Å; L75-F214 HydrophobicContact CD2-CE1 3.79Å; L75-F214 HydrophobicContact CG-CD1 4.4Å; L75-F214 HydrophobicContact CG-CE1 4.25Å; L75-T215 HydrophobicContact CB-CG2 4.17Å; L75-T215 HydrophobicContact CD2-CG2 3.51Å; L75-T215 HydrophobicContact CG-CG2 3.82Å
76I90.9Very high89.5Confident16 Ų1641.8 Ų41.88%0.08223%0.229CC..Hα-helixtrans-63.8-40.9-179.2-170.4169.1000111.1M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CB 4.45Å; M57-I76 HydrophobicContact CE-CD1 3.62Å; L72-I76 PolarHBondContact O-N 3.06Å; V73-I76 VanDerWaalsContact O-CG2 3.26Å; V73-I76 WeakPolarHBondContact O-CG2 3.49Å; I76-A80 WeakPolarHBondContact O-CB 3.3Å; I76-A80 PolarHBondContact O-N 3.25Å; I76-A211 HydrophobicContact CG1-CB 4.46Å; I76-Y212 HydrophobicContact CD1-CD2 4.18Å; I76-T215 HydrophobicContact CB-CG2 3.52Å; I76-T215 HydrophobicContact CG1-CG2 4.16Å
77I91.3Very high89.6Confident34 Ų3439.4 Ų39.417%0.17422%0.219CC..Hα-helixtrans-66.9-42.7178.7-63.6164.8000110.4I31 I50 V73 S74 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.35Å; I31-I77 HydrophobicContact CG1-CG2 4.41Å; I50-I77 HydrophobicContact CD1-CD1 4.01Å; I50-I77 HydrophobicContact CG1-CD1 3.71Å; V73-I77 HydrophobicContact CG1-CD1 3.78Å; V73-I77 VanDerWaalsContact O-CD1 3.27Å; V73-I77 WeakPolarHBondContact O-CD1 3.45Å; V73-I77 WeakPolarHBondContact O-CG1 3.48Å; V73-I77 PolarHBondContact O-N 3.36Å; S74-I77 PolarHBondContact O-N 3.24Å; L75-I77 VanDerWaalsContact C-N 3.31Å; L75-I77 PolarHBondContact O-N 3.33Å; I77-T81 HydrophobicContact CG2-CG2 4.32Å; I77-T81 WeakPolarHBondContact O-CB 3.38Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.33Å; I77-T81 PolarHBondContact O-N 3.11Å; I77-T81 PolarHBondContact O-OG1 2.64Å
78F90.7Very high89.7Confident50 Ų5039.3 Ų39.322%0.21921%0.214CC..Hα-helixtrans-60.5-53.3178.2179.7-104.5000111.6I24 S74 L75 A80 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.37Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.33Å; S74-F78 PolarHBondContact O-N 3.36Å; L75-F78 PolarHBondContact O-N 2.88Å; F78-A80 PolarHBondContact O-N 3.37Å; F78-T81 PolarHBondContact O-N 3.07Å; F78-T81 PolarHBondContact O-OG1 3.43Å; F78-T82 HydrophobicContact CD2-CG2 4.33Å; F78-T82 HydrophobicContact CE1-CG2 4.2Å; F78-T82 HydrophobicContact CE2-CG2 3.94Å; F78-T82 HydrophobicContact CZ-CG2 3.88Å; F78-T82 WeakPolarHBondContact O-CG2 3.29Å; F78-T82 PolarHBondContact O-N 3.16Å; F78-T82 PolarHBondContact O-OG1 2.87Å; F78-T82 VanDerWaalsContact O-OG1 3.08Å; F78-M100 HydrophobicContact CE1-CE 3.89Å; F78-M100 HydrophobicContact CZ-CE 3.85Å; F78-M104 HydrophobicContact CD1-SD 3.9Å; F78-M104 HydrophobicContact CE1-CE 4.19Å; F78-M104 HydrophobicContact CE1-SD 3.62Å
79I90.6Very high89.5Confident1 Ų142.2 Ų42.21%0.00524%0.24CC..Hα-helixtrans-65.6-42.3-177.7-60.5169000111L75 T81 T82 N83 M104 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 4.04Å; L75-I79 HydrophobicContact CG-CD1 3.89Å; L75-I79 WeakPolarHBondContact O-CG1 3.38Å; L75-I79 PolarHBondContact O-N 3.48Å; I79-T81 PolarHBondContact O-N 3.03Å; I79-T82 WeakPolarHBondContact CA-OG1 3.39Å; I79-T82 PolarHBondContact O-OG1 3.39Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.25Å; I79-N83 WeakPolarHBondContact O-CB 3.29Å; I79-N83 PolarHBondContact O-N 3.4Å; I79-N83 PolarHBondContact O-ND2 3.44Å; I79-N83 PolarHBondContact O-OD1 2.92Å; I79-M104 HydrophobicContact CG1-SD 4.41Å; I79-L160 HydrophobicContact CG2-CD1 4.15Å; I79-L160 HydrophobicContact CG2-CD2 4.1Å; I79-A211 HydrophobicContact CB-CB 4.06Å; I79-A211 HydrophobicContact CG2-CB 3.78Å; I79-F214 HydrophobicContact CD1-CB 4.48Å; I79-F214 HydrophobicContact CD1-CD1 3.31Å; I79-F214 HydrophobicContact CD1-CE1 3.66Å; I79-F214 HydrophobicContact CD1-CG 4Å
80A90.4Very high89.3Confident29 Ų2950 Ų5024%0.2427%0.272CS..Hα-helixtrans-62.7-43.8179.200000111.6I76 F78 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.3Å; I76-A80 PolarHBondContact O-N 3.25Å; F78-A80 PolarHBondContact O-N 3.37Å; A80-L84 VanDerWaalsContact O-CB 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.49Å; A80-L84 PolarHBondContact O-N 3.13Å; A80-A211 HydrophobicContact CB-CB 3.94Å
81T90.9Very high89Confident31 Ų3145 Ų4519%0.1925%0.249CC..Hα-helixtrans-68.5-46.1178.453.10000111.5P27 I77 F78 I79 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.24Å; I77-T81 HydrophobicContact CG2-CG2 4.32Å; I77-T81 WeakPolarHBondContact O-CB 3.38Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.33Å; I77-T81 PolarHBondContact O-N 3.11Å; I77-T81 PolarHBondContact O-OG1 2.64Å; F78-T81 PolarHBondContact O-N 3.07Å; F78-T81 PolarHBondContact O-OG1 3.43Å; I79-T81 PolarHBondContact O-N 3.03Å; T81-N83 VanDerWaalsContact C-N 3.3Å; T81-N83 PolarHBondContact O-N 3.26Å; T81-L84 PolarHBondContact O-N 3.08Å; T81-L85 WeakPolarHBondContact O-CD1 3.43Å; T81-L85 PolarHBondContact O-N 3.3Å
82T90.5Very high88.6Confident4 Ų443.6 Ų43.63%0.02524%0.241CC..Hα-helixtrans-59.9-40.1177.652.10000112.7P27 F78 I79 G86P27-T82 HydrophobicContact CB-CG2 4.32Å; P27-T82 HydrophobicContact CG-CG2 3.57Å; F78-T82 HydrophobicContact CD2-CG2 4.33Å; F78-T82 HydrophobicContact CE1-CG2 4.2Å; F78-T82 HydrophobicContact CE2-CG2 3.94Å; F78-T82 HydrophobicContact CZ-CG2 3.88Å; F78-T82 WeakPolarHBondContact O-CG2 3.29Å; F78-T82 PolarHBondContact O-N 3.16Å; F78-T82 PolarHBondContact O-OG1 2.87Å; F78-T82 VanDerWaalsContact O-OG1 3.08Å; I79-T82 WeakPolarHBondContact CA-OG1 3.39Å; I79-T82 PolarHBondContact O-OG1 3.39Å; T82-G86 PolarHBondContact O-N 3.28Å; T82-G86 VanDerWaalsContact O-N 3.12Å
83N90.8Very high88.3Confident1 Ų143.6 Ų43.61%0.00524%0.241CC..Hα-helixtrans-70.9-41.1-179.8-66.4-9.3000111.5I79 T81 G86 L87 T95 L160 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.25Å; I79-N83 WeakPolarHBondContact O-CB 3.29Å; I79-N83 PolarHBondContact O-N 3.4Å; I79-N83 PolarHBondContact O-ND2 3.44Å; I79-N83 PolarHBondContact O-OD1 2.92Å; T81-N83 VanDerWaalsContact C-N 3.3Å; T81-N83 PolarHBondContact O-N 3.26Å; N83-G86 WeakPolarHBondContact O-CA 3.37Å; N83-G86 PolarHBondContact O-N 3.2Å; N83-G86 VanDerWaalsContact O-N 3.08Å; N83-L87 PolarHBondContact O-N 2.9Å; N83-T95 WeakPolarHBondContact OD1-CB 3.3Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.47Å; N83-T95 PolarHBondContact OD1-OG1 3.08Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.48Å; N83-I164 HydrophobicContact CB-CD1 4.23Å; N83-I164 VanDerWaalsContact CG-CD1 3.43Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.28Å; N83-A207 HydrophobicContact CB-CB 3.92Å; N83-A207 PolarHBondContact ND2-O 2.84Å
84L89.7Confident87.8Confident96 Ų9643.3 Ų43.350%0.50324%0.239SC..Hα-helixtrans-71.2-38.7-178.1-165.9136.9000112.2A80 T81 G86 L87A80-L84 VanDerWaalsContact O-CB 3.28Å; A80-L84 WeakPolarHBondContact O-CB 3.49Å; A80-L84 PolarHBondContact O-N 3.13Å; T81-L84 PolarHBondContact O-N 3.08Å; L84-G86 PolarHBondContact O-N 3.31Å; L84-L87 PolarHBondContact O-N 3.12Å
85L89.6Confident87.5Confident35 Ų3540.2 Ų40.218%0.18322%0.218CC..Hα-helixtrans-62.3-28.8168.8-8987.3000112.2F26 L30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD2 3.3Å; F26-L85 HydrophobicContact CE1-CD2 3.51Å; L30-L85 HydrophobicContact CD1-CD1 3.46Å; L30-L85 VanDerWaalsContact CD1-CD1 3.46Å; L30-L85 HydrophobicContact CD1-CD2 3.86Å; L30-L85 HydrophobicContact CD1-CG 4.13Å; T81-L85 WeakPolarHBondContact O-CD1 3.43Å; T81-L85 PolarHBondContact O-N 3.3Å; L85-L87 VanDerWaalsContact C-N 3.27Å; L85-L87 PolarHBondContact O-N 3.47Å; L85-L88 WeakPolarHBondContact O-CB 3.38Å; L85-L88 WeakPolarHBondContact O-CG 3.17Å; L85-L88 PolarHBondContact O-N 3.03Å; L85-S91 PolarHBondContact O-OG 2.82Å
86G85.5Confident87.3Confident2 Ų239.9 Ų39.92%0.02122%0.216CC..Hα-helixtrans-61.3-33.3177.700000115.8T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 3.28Å; T82-G86 VanDerWaalsContact O-N 3.12Å; N83-G86 WeakPolarHBondContact O-CA 3.37Å; N83-G86 PolarHBondContact O-N 3.2Å; N83-G86 VanDerWaalsContact O-N 3.08Å; L84-G86 PolarHBondContact O-N 3.31Å; G86-L88 PolarHBondContact O-N 3.3Å; G86-S91 PolarHBondContact O-OG 3.02Å; G86-H168 PolarHBondContact O-CE1 3.3Å; G86-H168 PolarHBondContact O-NE2 3.04Å
87L86.7Confident87.2Confident38 Ų3842.3 Ų42.320%0.19923%0.228CC..THydrogen-bonded Turntrans-78.4-4.5-178.8-59.9175.6000113.2N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 2.9Å; L84-L87 PolarHBondContact O-N 3.12Å; L85-L87 VanDerWaalsContact C-N 3.27Å; L85-L87 PolarHBondContact O-N 3.47Å; L87-M171 HydrophobicContact CD2-CE 3.97Å; L87-E203 HydrophobicContact CD1-CG 4.33Å; L87-E203 HydrophobicContact CD2-CB 4.23Å; L87-E203 HydrophobicContact CD2-CG 3.39Å; L87-I204 HydrophobicContact CD1-CB 4.22Å; L87-I204 HydrophobicContact CD1-CG1 3.63Å; L87-A207 HydrophobicContact CD1-CB 4.07Å
88L87.8Confident87Confident100 Ų10043.9 Ų43.952%0.52424%0.236SC..SBendtrans-66.4146.7174.4-65.6173.5000110.8L85 G86 H90 S91L85-L88 WeakPolarHBondContact O-CB 3.38Å; L85-L88 WeakPolarHBondContact O-CG 3.17Å; L85-L88 PolarHBondContact O-N 3.03Å; G86-L88 PolarHBondContact O-N 3.3Å; L88-H90 PolarHBondContact O-N 3.43Å; L88-S91 PolarHBondContact O-N 3.02Å; L88-S91 PolarHBondContact O-OG 3Å
89P82.4Confident86.9Confident113 Ų11345.5 Ų45.573%0.73425%0.254SS*.THydrogen-bonded Turntrans-60132.2179.325-33.7000110.6S91P89-S91 PolarHBondContact O-N 3.46Å; P89-S91 VanDerWaalsContact O-N 3.16Å
90H82.7Confident86.7Confident202 Ų20247.4 Ų47.494%0.93526%0.263SS*.THydrogen-bonded Turntrans58.916.9179.7-56-63.6000116.1L88L88-H90 PolarHBondContact O-N 3.43Å
91S84Confident86.6Confident34 Ų3446.1 Ų46.124%0.23825%0.252CS..  trans-80.2142.6171.168.10000111L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 2.82Å; G86-S91 PolarHBondContact O-OG 3.02Å; L88-S91 PolarHBondContact O-N 3.02Å; L88-S91 PolarHBondContact O-OG 3Å; P89-S91 PolarHBondContact O-N 3.46Å; P89-S91 VanDerWaalsContact O-N 3.16Å
92F82.4Confident86.4Confident28 Ų2846.8 Ų46.812%0.12325%0.254CS..  trans-87124.5170.4171.2-95.2000109.1S8 A11 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.41Å; A11-F92 HydrophobicContact CB-CZ 4.48Å; P12-F92 HydrophobicContact CG-CB 4.39Å; P12-F92 HydrophobicContact CG-CD1 4.12Å; P12-F92 HydrophobicContact CG-CG 4.09Å; A20-F92 HydrophobicContact CB-CE1 4.34Å; I23-F92 HydrophobicContact CD1-CB 3.99Å; I23-F92 HydrophobicContact CD1-CD1 3.89Å; I23-F92 HydrophobicContact CD1-CG 4.33Å; I23-F92 HydrophobicContact CG2-CD1 4.44Å; I23-F92 WeakPolarHBondContact CG2-O 3.47Å; F92-P94 HydrophobicContact CE1-CB 4.44Å; F92-P94 WeakPolarHBondContact O-CD 3.38Å; F92-Q97 HydrophobicContact CZ-CG 4.16Å
93T83.6Confident86.3Confident3 Ų349.7 Ų49.72%0.01828%0.278CS..  trans-93.3110.7178.328.90000111.2T95 T96 I164T93-T95 PolarHBondContact O-N 3.42Å; T93-T95 VanDerWaalsContact O-N 3.16Å; T93-T96 PolarHBondContact O-N 3.03Å; T93-T96 VanDerWaalsContact O-N 3.16Å; T93-T96 PolarHBondContact O-OG1 3.2Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.34Å; T93-I164 HydrophobicContact CG2-CG2 4.23Å
94P82.4Confident86Confident10 Ų1050.9 Ų50.97%0.06528%0.284CS..G310 helixtrans-63.7-23.2176.526.3-33.6000112.6I24 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.26Å; I24-P94 HydrophobicContact CG1-CB 3.68Å; I24-P94 HydrophobicContact CG1-CG 4.05Å; F92-P94 HydrophobicContact CE1-CB 4.44Å; F92-P94 WeakPolarHBondContact O-CD 3.38Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 2.91Å; P94-Q97 PolarHBondContact O-N 3.45Å; P94-M100 WeakPolarHBondContact O-CB 3.42Å
95T84.9Confident85.9Confident1 Ų146.5 Ų46.51%0.00626%0.262CS..G310 helixtrans-76.6-6.9178.951.20000114.4N83 T93 Q97 N101 L160 I164N83-T95 WeakPolarHBondContact OD1-CB 3.3Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.47Å; N83-T95 PolarHBondContact OD1-OG1 3.08Å; T93-T95 PolarHBondContact O-N 3.42Å; T93-T95 VanDerWaalsContact O-N 3.16Å; T95-Q97 VanDerWaalsContact C-N 3.34Å; T95-N101 PolarHBondContact O-ND2 3.16Å; T95-L160 HydrophobicContact CG2-CD2 4.47Å; T95-I164 VanDerWaalsContact OG1-CD1 3.27Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.45Å
96T85.5Confident85.8Confident9 Ų948.8 Ų48.86%0.05527%0.273CS..G310 helixtrans-75.1-27.3169.456.30000112.4F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.83Å; F9-T96 HydrophobicContact CE1-CG2 3.73Å; T93-T96 PolarHBondContact O-N 3.03Å; T93-T96 VanDerWaalsContact O-N 3.16Å; T93-T96 PolarHBondContact O-OG1 3.2Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.34Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 2.91Å; T96-L98 PolarHBondContact O-N 3.31Å; T96-T161 WeakPolarHBondContact O-CG2 3.05Å; T96-I164 HydrophobicContact CG2-CB 4.35Å; T96-I164 HydrophobicContact CG2-CG2 3.65Å; T96-T165 HydrophobicContact CG2-CG2 3.77Å
97Q88.9Confident86Confident68 Ų6852.5 Ų52.532%0.31830%0.297SS..SBendtrans-77.3119.3178.1-66.6-64.2-2900109.5F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.29Å; F92-Q97 HydrophobicContact CZ-CG 4.16Å; P94-Q97 PolarHBondContact O-N 3.45Å; T95-Q97 VanDerWaalsContact C-N 3.34Å; Q97-S99 PolarHBondContact O-N 3.15Å; Q97-M100 PolarHBondContact O-N 2.89Å; Q97-M100 VanDerWaalsContact O-N 3.11Å; Q97-N101 PolarHBondContact O-N 3.33Å
98L86.6Confident86Confident67 Ų6751.7 Ų51.735%0.35129%0.293SS..Hα-helixtrans-57.8-33.8178.9-177.163.6000112T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 3.31Å; L98-M100 VanDerWaalsContact C-N 3.31Å; L98-M100 PolarHBondContact O-N 2.92Å; L98-N101 PolarHBondContact O-N 3.35Å; L98-L102 VanDerWaalsContact O-CB 3.24Å; L98-L102 WeakPolarHBondContact O-CB 3.47Å; L98-L102 PolarHBondContact O-N 3.34Å; L98-M154 HydrophobicContact CD2-CE 4.24Å; L98-A157 HydrophobicContact CD1-CB 4.37Å; L98-V158 HydrophobicContact CD1-CG2 3.91Å; L98-T161 VanDerWaalsContact CA-CG2 3.46Å; L98-T161 HydrophobicContact CB-CG2 4.02Å; L98-T161 HydrophobicContact CD1-CG2 3.96Å
99S88.1Confident85.9Confident84 Ų8448.8 Ų48.859%0.58728%0.275SS*.Hα-helixtrans-55.1-44.3176.555.90000112.6Q97 A103Q97-S99 PolarHBondContact O-N 3.15Å; S99-A103 WeakPolarHBondContact O-CB 3.28Å; S99-A103 PolarHBondContact O-N 2.85Å
100M87.3Confident86Confident41 Ų4144.7 Ų44.720%0.20225%0.251CS..Hα-helixtrans-67.8-46-179.2-176.761.9-173.100111.5I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-SD 4.41Å; I24-M100 HydrophobicContact CG2-CE 4.31Å; F78-M100 HydrophobicContact CE1-CE 3.89Å; F78-M100 HydrophobicContact CZ-CE 3.85Å; P94-M100 WeakPolarHBondContact O-CB 3.42Å; Q97-M100 PolarHBondContact O-N 2.89Å; Q97-M100 VanDerWaalsContact O-N 3.11Å; L98-M100 VanDerWaalsContact C-N 3.31Å; L98-M100 PolarHBondContact O-N 2.92Å; M100-L102 VanDerWaalsContact C-N 3.32Å; M100-L102 PolarHBondContact O-N 3.44Å; M100-A103 PolarHBondContact O-N 3.27Å; M100-M104 HydrophobicContact CE-CE 4.01Å; M100-M104 HydrophobicContact CE-CG 4.38Å; M100-M104 HydrophobicContact CE-SD 4.26Å; M100-M104 HydrophobicContact CG-CE 3.89Å; M100-M104 PolarHBondContact O-N 2.77Å
101N87.9Confident86.1Confident1 Ų136.1 Ų36.11%0.00522%0.217CC..Hα-helixtrans-67.3-36.5-179.7-67.6-10.5000112T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.16Å; Q97-N101 PolarHBondContact O-N 3.33Å; L98-N101 PolarHBondContact O-N 3.35Å; N101-M104 PolarHBondContact O-N 3.44Å; N101-A105 VanDerWaalsContact O-CB 3.29Å; N101-A105 WeakPolarHBondContact O-CB 3.39Å; N101-A105 PolarHBondContact O-N 3.35Å; N101-A157 HydrophobicContact CB-CB 3.92Å; N101-A157 PolarHBondContact ND2-O 3.13Å; N101-L160 HydrophobicContact CB-CD2 4.42Å; N101-L160 WeakPolarHBondContact ND2-CG 3.43Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.34Å; N101-T161 HydrophobicContact CB-CG2 4.27Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.27Å; N101-T161 PolarHBondContact ND2-N 2.93Å
102L86.3Confident86.1Confident45 Ų4534.6 Ų34.624%0.23621%0.206CC..Hα-helixtrans-71.1-39177.4-15171.2000111.6L98 M100 M104 A105 I106 M154 A157L98-L102 VanDerWaalsContact O-CB 3.24Å; L98-L102 WeakPolarHBondContact O-CB 3.47Å; L98-L102 PolarHBondContact O-N 3.34Å; M100-L102 VanDerWaalsContact C-N 3.32Å; M100-L102 PolarHBondContact O-N 3.44Å; L102-M104 PolarHBondContact O-N 3.08Å; L102-A105 PolarHBondContact O-N 2.96Å; L102-I106 HydrophobicContact CD1-CD1 4.32Å; L102-I106 HydrophobicContact CD1-CG1 4.44Å; L102-I106 HydrophobicContact CD2-CD1 3.96Å; L102-I106 HydrophobicContact CG-CD1 3.62Å; L102-I106 HydrophobicContact CG-CG1 4.09Å; L102-I106 WeakPolarHBondContact O-CG1 3.42Å; L102-I106 PolarHBondContact O-N 3.23Å; L102-M154 HydrophobicContact CD1-SD 3.35Å; L102-M154 WeakPolarHBondContact CD1-SD 3.45Å; L102-M154 HydrophobicContact CD2-SD 4.31Å; L102-M154 HydrophobicContact CG-SD 4.48Å; L102-A157 HydrophobicContact CB-CB 4.47Å; L102-A157 HydrophobicContact CD1-CB 3.68Å
103A88.8Confident86.1Confident65 Ų6533.9 Ų33.954%0.53720%0.204SC..Hα-helixtrans-62.3-30.217300000112.8S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.28Å; S99-A103 PolarHBondContact O-N 2.85Å; M100-A103 PolarHBondContact O-N 3.27Å; A103-P107 WeakPolarHBondContact O-CD 3.47Å; A103-P107 WeakPolarHBondContact O-CG 3.44Å
104M85.5Confident86.2Confident26 Ų2638.3 Ų38.313%0.12823%0.227CC..Hα-helixtrans-78.1-46.1170.6-70.8-171.4-88.200112.4F78 I79 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-SD 3.9Å; F78-M104 HydrophobicContact CE1-CE 4.19Å; F78-M104 HydrophobicContact CE1-SD 3.62Å; I79-M104 HydrophobicContact CG1-SD 4.41Å; M100-M104 HydrophobicContact CE-CE 4.01Å; M100-M104 HydrophobicContact CE-CG 4.38Å; M100-M104 HydrophobicContact CE-SD 4.26Å; M100-M104 HydrophobicContact CG-CE 3.89Å; M100-M104 PolarHBondContact O-N 2.77Å; N101-M104 PolarHBondContact O-N 3.44Å; L102-M104 PolarHBondContact O-N 3.08Å; M104-L108 WeakPolarHBondContact O-CD1 2.97Å; M104-L108 WeakPolarHBondContact O-CG 3.33Å
105A86.9Confident86.1Confident4 Ų440.1 Ų40.13%0.03324%0.235CC..Hα-helixtrans-70.9-42.9-170.900000113.8N101 L102 W109 A157 F214N101-A105 VanDerWaalsContact O-CB 3.29Å; N101-A105 WeakPolarHBondContact O-CB 3.39Å; N101-A105 PolarHBondContact O-N 3.35Å; L102-A105 PolarHBondContact O-N 2.96Å; A105-W109 WeakPolarHBondContact O-CB 3.36Å; A105-W109 PolarHBondContact O-N 2.92Å; A105-A157 HydrophobicContact CB-CB 4.12Å; A105-F214 HydrophobicContact CB-CE2 4.17Å; A105-F214 HydrophobicContact CB-CZ 4.1Å
106I87.8Confident85.7Confident83 Ų8340.1 Ų40.143%0.42624%0.235SC..Hα-helixtrans-63.8-50.5-175.1-66.4173.1000111.7L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 4.32Å; L102-I106 HydrophobicContact CD1-CG1 4.44Å; L102-I106 HydrophobicContact CD2-CD1 3.96Å; L102-I106 HydrophobicContact CG-CD1 3.62Å; L102-I106 HydrophobicContact CG-CG1 4.09Å; L102-I106 WeakPolarHBondContact O-CG1 3.42Å; L102-I106 PolarHBondContact O-N 3.23Å; I106-L108 VanDerWaalsContact C-N 3.34Å; I106-L108 PolarHBondContact O-N 3.13Å; I106-W109 PolarHBondContact O-N 3.38Å; I106-A110 WeakPolarHBondContact O-CB 3.37Å; I106-A110 PolarHBondContact O-N 3.35Å
107P89.1Confident85.4Confident81 Ų8143.5 Ų43.553%0.52625%0.249SC..Hα-helixtrans-64.2-38-178.8-24.236.5000113.1A103 A110 G111A103-P107 WeakPolarHBondContact O-CD 3.47Å; A103-P107 WeakPolarHBondContact O-CG 3.44Å; P107-A110 PolarHBondContact O-N 3.37Å; P107-G111 PolarHBondContact O-N 2.69Å
108L87.1Confident84.9Confident20 Ų2050.6 Ų50.611%0.10527%0.273CS..Hα-helixtrans-64.5-46.2178.3-69.4170.6000111.7M71 L75 M104 I106 A112 F214M71-L108 HydrophobicContact CE-CD2 3.23Å; M71-L108 HydrophobicContact CG-CD2 4.3Å; M71-L108 HydrophobicContact SD-CD2 3.48Å; M71-L108 WeakPolarHBondContact SD-CD2 3.34Å; L75-L108 HydrophobicContact CD1-CD1 3.49Å; L75-L108 VanDerWaalsContact CD1-CD1 3.49Å; L75-L108 HydrophobicContact CD2-CD1 3.8Å; L75-L108 HydrophobicContact CG-CD1 4.31Å; M104-L108 WeakPolarHBondContact O-CD1 2.97Å; M104-L108 WeakPolarHBondContact O-CG 3.33Å; I106-L108 VanDerWaalsContact C-N 3.34Å; I106-L108 PolarHBondContact O-N 3.13Å; L108-A112 PolarHBondContact O-N 3.33Å; L108-A112 VanDerWaalsContact O-N 3.14Å; L108-F214 HydrophobicContact CD1-CE1 4.04Å; L108-F214 HydrophobicContact CD1-CZ 4.39Å
109W85.7Confident84.2Confident39 Ų3949.9 Ų49.915%0.14827%0.274CS..Hα-helixtrans-65.1-47.2175.9170.589.8000111.4A105 I106 G111 A112 V113 L149 L150 P153A105-W109 WeakPolarHBondContact O-CB 3.36Å; A105-W109 PolarHBondContact O-N 2.92Å; I106-W109 PolarHBondContact O-N 3.38Å; W109-G111 VanDerWaalsContact C-N 3.29Å; W109-G111 PolarHBondContact O-N 3.16Å; W109-A112 PolarHBondContact O-N 3.42Å; W109-A112 VanDerWaalsContact O-N 3.17Å; W109-V113 HydrophobicContact CD2-CG2 4.11Å; W109-V113 HydrophobicContact CG-CG2 4.48Å; W109-V113 HydrophobicContact CZ2-CG2 3.99Å; W109-V113 WeakPolarHBondContact O-CG2 3.08Å; W109-V113 PolarHBondContact O-N 3.48Å; W109-L149 HydrophobicContact CH2-CD2 4.19Å; W109-L149 HydrophobicContact CZ2-CD2 3.47Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.47Å; W109-L149 HydrophobicContact CZ2-CG 3.93Å; W109-L149 WeakPolarHBondContact CZ2-O 3.37Å; W109-L149 PolarHBondContact NE1-O 2.97Å; W109-L150 HydrophobicContact CH2-CD2 3.77Å; W109-L150 HydrophobicContact CZ2-CD2 4.22Å; W109-P153 HydrophobicContact CB-CB 3.87Å; W109-P153 HydrophobicContact CB-CG 4.37Å; W109-P153 HydrophobicContact CD2-CB 4.26Å; W109-P153 HydrophobicContact CD2-CG 3.78Å; W109-P153 HydrophobicContact CE3-CG 4.26Å; W109-P153 HydrophobicContact CG-CB 3.83Å; W109-P153 HydrophobicContact CG-CG 3.82Å
110A85.3Confident83.4Confident27 Ų2750.3 Ų50.322%0.22327%0.265CS..Hα-helixtrans-60.7-41.6179.600000110.9I106 P107 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.37Å; I106-A110 PolarHBondContact O-N 3.35Å; P107-A110 PolarHBondContact O-N 3.37Å; A110-V113 PolarHBondContact O-N 2.8Å; A110-I114 VanDerWaalsContact O-CB 3.31Å; A110-I114 WeakPolarHBondContact O-CB 3.37Å; A110-I114 WeakPolarHBondContact O-CD1 3.11Å; A110-I114 WeakPolarHBondContact O-CG1 3.19Å; A110-I114 PolarHBondContact O-N 3.42Å
111G85.2Confident82.4Confident22 Ų2253.5 Ų53.523%0.22728%0.282CS..Hα-helixtrans-59.2-45.9174.900000113P107 W109 M115P107-G111 PolarHBondContact O-N 2.69Å; W109-G111 VanDerWaalsContact C-N 3.29Å; W109-G111 PolarHBondContact O-N 3.16Å; G111-M115 VanDerWaalsContact O-CB 3.32Å; G111-M115 WeakPolarHBondContact O-CB 3.48Å; G111-M115 PolarHBondContact O-N 3.16Å
112A82.8Confident81.4Confident2 Ų262.6 Ų62.62%0.01732%0.322CS..Hα-helixtrans-63.6-44.9177.400000112.1L108 W109 M115 G116L108-A112 PolarHBondContact O-N 3.33Å; L108-A112 VanDerWaalsContact O-N 3.14Å; W109-A112 PolarHBondContact O-N 3.42Å; W109-A112 VanDerWaalsContact O-N 3.17Å; A112-M115 PolarHBondContact O-N 3.39Å; A112-G116 PolarHBondContact O-N 2.9Å
113V83.1Confident80.6Confident13 Ų1365 Ų658%0.07934%0.335CS..Hα-helixtrans-65.1-47179172.40000111.4W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.11Å; W109-V113 HydrophobicContact CG-CG2 4.48Å; W109-V113 HydrophobicContact CZ2-CG2 3.99Å; W109-V113 WeakPolarHBondContact O-CG2 3.08Å; W109-V113 PolarHBondContact O-N 3.48Å; A110-V113 PolarHBondContact O-N 2.8Å; V113-M115 VanDerWaalsContact C-N 3.27Å; V113-M115 PolarHBondContact O-N 2.97Å; V113-G116 PolarHBondContact O-N 2.95Å; V113-G116 VanDerWaalsContact O-N 3.15Å; V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.38Å; V113-F117 WeakPolarHBondContact O-CD2 3.49Å; V113-F117 PolarHBondContact O-N 3.47Å
114I84.5Confident79.5Confident97 Ų9762.7 Ų62.750%0.49732%0.316SS..Hα-helixtrans-60.8-39.4176.9-68.1163.9000110.5A110 F117 R118A110-I114 VanDerWaalsContact O-CB 3.31Å; A110-I114 WeakPolarHBondContact O-CB 3.37Å; A110-I114 WeakPolarHBondContact O-CD1 3.11Å; A110-I114 WeakPolarHBondContact O-CG1 3.19Å; A110-I114 PolarHBondContact O-N 3.42Å; I114-F117 PolarHBondContact O-N 3.06Å; I114-R118 HydrophobicContact CG2-CG 4.44Å; I114-R118 WeakPolarHBondContact O-CB 2.99Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.28Å; I114-R118 PolarHBondContact O-N 3Å
115M81.2Confident78.6Confident47 Ų4765.9 Ų65.923%0.23233%0.333CS..Hα-helixtrans-65.2-39176.4-171.9167.9-178.800112.2W68 G111 A112 V113 R118 S119 L222 T226W68-M115 HydrophobicContact CZ2-SD 3.82Å; W68-M115 PolarHBondContact NE1-SD 2.81Å; G111-M115 VanDerWaalsContact O-CB 3.32Å; G111-M115 WeakPolarHBondContact O-CB 3.48Å; G111-M115 PolarHBondContact O-N 3.16Å; A112-M115 PolarHBondContact O-N 3.39Å; V113-M115 VanDerWaalsContact C-N 3.27Å; V113-M115 PolarHBondContact O-N 2.97Å; M115-R118 PolarHBondContact O-N 3.43Å; M115-S119 WeakPolarHBondContact O-CB 3.29Å; M115-S119 PolarHBondContact O-N 2.98Å; M115-S119 PolarHBondContact O-OG 2.84Å; M115-L222 HydrophobicContact SD-CD1 4.23Å; M115-T226 HydrophobicContact CE-CG2 4.34Å
116G76.8Confident77.5Confident1 Ų168.3 Ų68.31%0.0135%0.353CS..Hα-helixtrans-62.1-47.2173.800000113.1A112 V113 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 2.9Å; V113-G116 PolarHBondContact O-N 2.95Å; V113-G116 VanDerWaalsContact O-N 3.15Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.45Å; G116-S119 PolarHBondContact O-N 3.48Å; G116-S119 PolarHBondContact O-OG 3.27Å; G116-K120 CarbonylContact O-C 3.58Å; G116-K120 PolarHBondContact O-N 2.97Å; G116-N225 VanDerWaalsContact CA-O 3.31Å; G116-N225 WeakPolarHBondContact CA-O 3.29Å
117F78.9Confident76.5Confident80 Ų8069.8 Ų69.835%0.35136%0.358SS..Hα-helixtrans-62-38174.4-77.2-66000112.1V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.38Å; V113-F117 WeakPolarHBondContact O-CD2 3.49Å; V113-F117 PolarHBondContact O-N 3.47Å; I114-F117 PolarHBondContact O-N 3.06Å; F117-I121 WeakPolarHBondContact O-CG1 3.45Å; F117-A124 HydrophobicContact CD1-CB 4.3Å; F117-A124 HydrophobicContact CE1-CB 4.41Å; F117-L125 HydrophobicContact CD1-CD1 4.09Å; F117-L125 HydrophobicContact CE1-CD1 3.71Å; F117-F128 HydrophobicContact CZ-CE2 4.41Å
118R78.3Confident75.3Confident217 Ų21767.7 Ų67.782%0.81934%0.34SS*.Hα-helixtrans-72.6-35.2178.4-73.1-179.769.7-166.71.7113.6I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.44Å; I114-R118 WeakPolarHBondContact O-CB 2.99Å; I114-R118 VanDerWaalsContact O-CG 3.31Å; I114-R118 WeakPolarHBondContact O-CG 3.28Å; I114-R118 PolarHBondContact O-N 3Å; M115-R118 PolarHBondContact O-N 3.43Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.45Å
119S70.8Confident74.3Confident53 Ų5369.8 Ų69.837%0.37135%0.351SS..Hα-helixtrans-84.2-43.5-173.475.20000112.6M115 G116 N225M115-S119 WeakPolarHBondContact O-CB 3.29Å; M115-S119 PolarHBondContact O-N 2.98Å; M115-S119 PolarHBondContact O-OG 2.84Å; G116-S119 PolarHBondContact O-N 3.48Å; G116-S119 PolarHBondContact O-OG 3.27Å; S119-N225 PolarHBondContact OG-O 3.48Å
120K71.9Confident73.2Confident92 Ų9271.2 Ų71.240%0.437%0.366SS..  trans-14770.3-172.6-67.4175.5-178.6161.80111.2G116 K122 N123 A124 T226G116-K120 CarbonylContact O-C 3.58Å; G116-K120 PolarHBondContact O-N 2.97Å; K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 3.27Å; K120-N123 HydrophobicContact CB-CB 3.93Å; K120-N123 HydrophobicContact CD-CB 4.34Å; K120-N123 PolarHBondContact O-N 3.33Å; K120-N123 VanDerWaalsContact O-N 3.09Å; K120-A124 WeakPolarHBondContact O-CB 3.07Å; K120-A124 PolarHBondContact O-N 3.1Å; K120-T226 WeakPolarHBondContact CE-O 3.48Å; K120-T226 PolarHBondContact NZ-O 2.97Å; K120-T226 PolarHBondContact NZ-OXT 3.18Å
121I66.9Low72.3Confident109 Ų10979.5 Ų79.556%0.55940%0.4SS*.Hα-helixtrans-46.7-49.7177.2-60.6170.9000111.6F117 N123 A124 L125F117-I121 WeakPolarHBondContact O-CG1 3.45Å; I121-N123 PolarHBondContact O-N 3.09Å; I121-A124 PolarHBondContact O-N 2.68Å; I121-L125 HydrophobicContact CG2-CD1 3.82Å; I121-L125 WeakPolarHBondContact O-CD1 3.39Å; I121-L125 PolarHBondContact O-N 3.19Å
122K67.6Low71.3Confident191 Ų19182.4 Ų82.483%0.8343%0.43SS*.Hα-helixtrans-65.2-38.2-176.2-65-175.9-179.6-177.80113.2K120 A126K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 3.27Å; K122-A126 VanDerWaalsContact O-CB 3.25Å; K122-A126 WeakPolarHBondContact O-CB 3.16Å; K122-A126 PolarHBondContact O-N 3.4Å
123N68.9Low70.8Confident97 Ų9784.1 Ų84.152%0.51944%0.44SS..Hα-helixtrans-78.6-36.8-177.8-14655.3000111.2K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.93Å; K120-N123 HydrophobicContact CD-CB 4.34Å; K120-N123 PolarHBondContact O-N 3.33Å; K120-N123 VanDerWaalsContact O-N 3.09Å; I121-N123 PolarHBondContact O-N 3.09Å; N123-A126 PolarHBondContact O-N 3.42Å; N123-H127 PolarHBondContact O-N 2.96Å; N123-H127 VanDerWaalsContact O-N 3.07Å
124A66.3Low70.5Confident16 Ų1687 Ų8713%0.13246%0.459CS..Hα-helixtrans-62.9-42.5173.200000111.5F117 K120 I121 H127F117-A124 HydrophobicContact CD1-CB 4.3Å; F117-A124 HydrophobicContact CE1-CB 4.41Å; K120-A124 WeakPolarHBondContact O-CB 3.07Å; K120-A124 PolarHBondContact O-N 3.1Å; I121-A124 PolarHBondContact O-N 2.68Å; A124-H127 PolarHBondContact O-N 3.41Å
125L65.7Low70.2Confident92 Ų9288 Ų8848%0.48247%0.47SS..Hα-helixtrans-71-34.3174.8-88.281.1000112.7F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.09Å; F117-L125 HydrophobicContact CE1-CD1 3.71Å; I121-L125 HydrophobicContact CG2-CD1 3.82Å; I121-L125 WeakPolarHBondContact O-CD1 3.39Å; I121-L125 PolarHBondContact O-N 3.19Å; L125-H127 PolarHBondContact O-N 2.92Å; L125-F128 WeakPolarHBondContact O-CB 3.22Å; L125-F128 PolarHBondContact O-N 2.89Å
126A63.1Low70.3Confident55 Ų5590.6 Ų90.646%0.45549%0.49SS..Hα-helixtrans-65.6-28176.200000112.3K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.25Å; K122-A126 WeakPolarHBondContact O-CB 3.16Å; K122-A126 PolarHBondContact O-N 3.4Å; N123-A126 PolarHBondContact O-N 3.42Å; A126-F128 PolarHBondContact O-N 2.93Å; A126-L129 PolarHBondContact O-N 3.32Å
127H66.6Low70.6Confident114 Ų11495.6 Ų95.653%0.52852%0.516SS..THydrogen-bonded Turntrans-66.3-17.2177.3-142.3-58.4000113.5N123 A124 L125 L129N123-H127 PolarHBondContact O-N 2.96Å; N123-H127 VanDerWaalsContact O-N 3.07Å; A124-H127 PolarHBondContact O-N 3.41Å; L125-H127 PolarHBondContact O-N 2.92Å; H127-L129 VanDerWaalsContact C-N 3.26Å; H127-L129 PolarHBondContact O-N 3.21Å
128F65.2Low70.7Confident37 Ų3794.1 Ų94.116%0.16251%0.512CS..THydrogen-bonded Turntrans-73.1-15.8172.6-69.3-60000113.6F117 L125 A126 L141 E145 T146 L149F117-F128 HydrophobicContact CZ-CE2 4.41Å; L125-F128 WeakPolarHBondContact O-CB 3.22Å; L125-F128 PolarHBondContact O-N 2.89Å; A126-F128 PolarHBondContact O-N 2.93Å; F128-L141 WeakPolarHBondContact O-CD2 3.38Å; F128-E145 HydrophobicContact CD1-CB 4.22Å; F128-E145 HydrophobicContact CD1-CG 3.84Å; F128-T146 HydrophobicContact CD1-CG2 4.17Å; F128-T146 HydrophobicContact CE1-CG2 3.91Å; F128-T146 HydrophobicContact CZ-CG2 4.45Å; F128-L149 HydrophobicContact CE1-CD1 4.47Å
129L66.3Low70.8Confident64 Ų6487.8 Ų87.834%0.33550%0.499SS..SBendtrans-123.8115.8176.6-92.781.8000110.8A126 H127 Q131 I138 V142A126-L129 PolarHBondContact O-N 3.32Å; H127-L129 VanDerWaalsContact C-N 3.26Å; H127-L129 PolarHBondContact O-N 3.21Å; L129-Q131 PolarHBondContact O-N 3.5Å; L129-I138 HydrophobicContact CD1-CG2 4.3Å; L129-I138 HydrophobicContact CD2-CD1 4.23Å; L129-I138 HydrophobicContact CD2-CG1 4.26Å; L129-I138 HydrophobicContact CD2-CG2 3.72Å; L129-I138 HydrophobicContact CG-CG2 4.23Å; L129-V142 HydrophobicContact CD1-CG2 3.4Å; L129-V142 HydrophobicContact CG-CG2 4.41Å
130P62.8Low71.4Confident70 Ų7090.7 Ų90.746%0.45551%0.508SS..  trans-63.2138.8165.319.3-19.8000109.7G132 T133 L141P130-G132 PolarHBondContact O-N 3.21Å; P130-T133 HydrophobicContact CB-CG2 4.44Å; P130-T133 HydrophobicContact CG-CG2 3.72Å; P130-T133 WeakPolarHBondContact O-CG2 3.32Å; P130-T133 PolarHBondContact O-OG1 3.39Å; P130-L141 HydrophobicContact CG-CD1 3.79Å; P130-L141 HydrophobicContact CG-CD2 4.04Å
131Q64.5Low72Confident200 Ų20088.6 Ų88.694%0.93550%0.5SS*.THydrogen-bonded Turntrans-64.2133.3-179.4-63.6-163.3-4.200110.4L129L129-Q131 PolarHBondContact O-N 3.5Å
132G64.3Low72.8Confident84 Ų8485.6 Ų85.687%0.86649%0.487SS*.THydrogen-bonded Turntrans91.517177.600000115.7P130P130-G132 PolarHBondContact O-N 3.21Å
133T74.1Confident73.6Confident37 Ų3780.8 Ų80.823%0.22747%0.47CS..  trans-74.5134.4175.343.50000112.2P130 L141P130-T133 HydrophobicContact CB-CG2 4.44Å; P130-T133 HydrophobicContact CG-CG2 3.72Å; P130-T133 WeakPolarHBondContact O-CG2 3.32Å; P130-T133 PolarHBondContact O-OG1 3.39Å; T133-L141 HydrophobicContact CG2-CD1 3.91Å
134P76.6Confident74.4Confident73 Ų7380.6 Ų80.647%0.47447%0.468SS..  trans-67.9138.7177.728.8-34.6000110.5P136 L137P134-P136 VanDerWaalsContact C-N 3.34Å; P134-P136 WeakPolarHBondContact O-CD 3.49Å; P134-P136 VanDerWaalsContact O-N 3.09Å; P134-L137 HydrophobicContact CG-CB 4.35Å; P134-L137 HydrophobicContact CG-CD1 3.71Å; P134-L137 HydrophobicContact CG-CG 4.15Å; P134-L137 PolarHBondContact O-N 3Å
135T77.8Confident75.3Confident118 Ų11883 Ų8372%0.72448%0.476SS*.THydrogen-bonded Turntrans-48-36.2-172.547.70000116.8I138T135-I138 HydrophobicContact CG2-CD1 4.49Å
136P83.6Confident76.1Confident102 Ų10281.1 Ų81.166%0.66247%0.469SS*.THydrogen-bonded Turntrans-74.3-22.7178.726.2-34.2000114.7P134P134-P136 VanDerWaalsContact C-N 3.34Å; P134-P136 WeakPolarHBondContact O-CD 3.49Å; P134-P136 VanDerWaalsContact O-N 3.09Å
137L82.1Confident77.1Confident107 Ų10782.6 Ų82.656%0.5647%0.468SS*.THydrogen-bonded Turntrans-88.2-11.4-177.2-65.9178.6000113.4P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.35Å; P134-L137 HydrophobicContact CG-CD1 3.71Å; P134-L137 HydrophobicContact CG-CG 4.15Å; P134-L137 PolarHBondContact O-N 3Å; L137-M140 PolarHBondContact O-N 3.19Å; L137-L141 PolarHBondContact O-N 3.03Å; L137-L141 VanDerWaalsContact O-N 3.15Å
138I80.4Confident78Confident49 Ų4979.8 Ų79.825%0.25146%0.461SS..Hα-helixtrans-56.2-49-175.7-64.6175.9000112.5L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 4.3Å; L129-I138 HydrophobicContact CD2-CD1 4.23Å; L129-I138 HydrophobicContact CD2-CG1 4.26Å; L129-I138 HydrophobicContact CD2-CG2 3.72Å; L129-I138 HydrophobicContact CG-CG2 4.23Å; T135-I138 HydrophobicContact CG2-CD1 4.49Å; I138-M140 VanDerWaalsContact C-N 3.31Å; I138-M140 PolarHBondContact O-N 2.97Å; I138-L141 PolarHBondContact O-N 2.86Å; I138-V142 HydrophobicContact CG2-CG2 4.44Å; I138-V142 WeakPolarHBondContact O-CG2 3.48Å; I138-V142 PolarHBondContact O-N 3.17Å
139P80.6Confident78.8Confident84 Ų8480 Ų8055%0.54546%0.463SS..Hα-helixtrans-63.4-37-175.6-21.834000112.8I143P139-I143 WeakPolarHBondContact O-CG1 3.33Å; P139-I143 PolarHBondContact O-N 3.46Å
140M84.1Confident79.6Confident114 Ų11482.2 Ų82.256%0.56248%0.475SS*.Hα-helixtrans-69.9-41.2179.3-173.263.5-172.800111.6L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.19Å; I138-M140 VanDerWaalsContact C-N 3.31Å; I138-M140 PolarHBondContact O-N 2.97Å; M140-I143 PolarHBondContact O-N 3.5Å; M140-I144 HydrophobicContact CE-CD1 3.99Å; M140-I144 HydrophobicContact CE-CG1 4.21Å; M140-I144 HydrophobicContact CG-CD1 4.13Å; M140-I144 WeakPolarHBondContact O-CG1 3.36Å; M140-I144 PolarHBondContact O-N 2.71Å; M140-I144 VanDerWaalsContact O-N 3.13Å
141L85.3Confident80.7Confident47 Ų4783.7 Ų83.725%0.24648%0.478CS..Hα-helixtrans-66.4-40.4-178.1-166.6151.3000111.9F128 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.38Å; P130-L141 HydrophobicContact CG-CD1 3.79Å; P130-L141 HydrophobicContact CG-CD2 4.04Å; T133-L141 HydrophobicContact CG2-CD1 3.91Å; L137-L141 PolarHBondContact O-N 3.03Å; L137-L141 VanDerWaalsContact O-N 3.15Å; I138-L141 PolarHBondContact O-N 2.86Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 3.25Å; L141-I144 PolarHBondContact O-N 3.11Å; L141-E145 PolarHBondContact O-N 3.18Å
142V82.6Confident81.6Confident46 Ų4675.7 Ų75.728%0.27944%0.441SS..Hα-helixtrans-59.9-40.9176174.80000111.4L129 I138 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.4Å; L129-V142 HydrophobicContact CG-CG2 4.41Å; I138-V142 HydrophobicContact CG2-CG2 4.44Å; I138-V142 WeakPolarHBondContact O-CG2 3.48Å; I138-V142 PolarHBondContact O-N 3.17Å; V142-E145 PolarHBondContact O-N 3.29Å; V142-T146 HydrophobicContact CG1-CG2 4.39Å; V142-T146 WeakPolarHBondContact O-CB 3.48Å; V142-T146 VanDerWaalsContact O-CG2 3.27Å; V142-T146 WeakPolarHBondContact O-CG2 3.49Å; V142-T146 PolarHBondContact O-N 3.32Å; V142-T146 PolarHBondContact O-OG1 3.06Å
143I85.5Confident82.3Confident91 Ų9172.1 Ų72.147%0.46740%0.403SS..Hα-helixtrans-63.6-44.3176.9-65.7167.2000110.5P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.33Å; P139-I143 PolarHBondContact O-N 3.46Å; M140-I143 PolarHBondContact O-N 3.5Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 3.25Å; I143-E145 PolarHBondContact O-N 3.04Å; I143-T146 WeakPolarHBondContact CA-OG1 3.33Å; I143-T146 PolarHBondContact O-OG1 3.22Å; I143-I147 HydrophobicContact CG2-CD1 3.78Å; I143-I147 WeakPolarHBondContact O-CD1 3.42Å; I143-I147 VanDerWaalsContact O-CG1 3.24Å; I143-I147 WeakPolarHBondContact O-CG1 3.39Å; I143-I147 PolarHBondContact O-N 3.25Å
144I85.9Confident82.7Confident92 Ų9274.3 Ų74.347%0.47241%0.411SS..Hα-helixtrans-64.6-43.1179.1-64.5166.2000111M140 L141 I147 S148M140-I144 HydrophobicContact CE-CD1 3.99Å; M140-I144 HydrophobicContact CE-CG1 4.21Å; M140-I144 HydrophobicContact CG-CD1 4.13Å; M140-I144 WeakPolarHBondContact O-CG1 3.36Å; M140-I144 PolarHBondContact O-N 2.71Å; M140-I144 VanDerWaalsContact O-N 3.13Å; L141-I144 PolarHBondContact O-N 3.11Å; I144-I147 PolarHBondContact O-N 3.34Å; I144-S148 WeakPolarHBondContact O-CB 3.42Å; I144-S148 PolarHBondContact O-N 3.08Å
145E84.3Confident83.1Confident68 Ų6872.7 Ų72.732%0.31840%0.404SS..Hα-helixtrans-68.3-39.1-178.4-166.759.1-152.300111.9F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.22Å; F128-E145 HydrophobicContact CD1-CG 3.84Å; L141-E145 PolarHBondContact O-N 3.18Å; V142-E145 PolarHBondContact O-N 3.29Å; I143-E145 PolarHBondContact O-N 3.04Å; E145-I147 VanDerWaalsContact C-N 3.35Å; E145-I147 PolarHBondContact O-N 3.08Å; E145-S148 WeakPolarHBondContact O-CB 3.4Å; E145-S148 PolarHBondContact O-N 2.97Å; E145-L149 WeakPolarHBondContact O-CB 3.26Å; E145-L149 PolarHBondContact O-N 2.95Å
146T81.8Confident83.1Confident52 Ų5267.6 Ų67.632%0.31937%0.372SS..Hα-helixtrans-63.6-39.6173.752.30000112.2F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.17Å; F128-T146 HydrophobicContact CE1-CG2 3.91Å; F128-T146 HydrophobicContact CZ-CG2 4.45Å; V142-T146 HydrophobicContact CG1-CG2 4.39Å; V142-T146 WeakPolarHBondContact O-CB 3.48Å; V142-T146 VanDerWaalsContact O-CG2 3.27Å; V142-T146 WeakPolarHBondContact O-CG2 3.49Å; V142-T146 PolarHBondContact O-N 3.32Å; V142-T146 PolarHBondContact O-OG1 3.06Å; I143-T146 WeakPolarHBondContact CA-OG1 3.33Å; I143-T146 PolarHBondContact O-OG1 3.22Å; T146-L150 WeakPolarHBondContact O-CG 3.45Å; T146-L150 PolarHBondContact O-N 2.75Å
147I85.6Confident83.1Confident85 Ų8562.8 Ų62.844%0.43634%0.34SS..Hα-helixtrans-65.9-43.9173.6-68.1166.8000110.9I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.78Å; I143-I147 WeakPolarHBondContact O-CD1 3.42Å; I143-I147 VanDerWaalsContact O-CG1 3.24Å; I143-I147 WeakPolarHBondContact O-CG1 3.39Å; I143-I147 PolarHBondContact O-N 3.25Å; I144-I147 PolarHBondContact O-N 3.34Å; E145-I147 VanDerWaalsContact C-N 3.35Å; E145-I147 PolarHBondContact O-N 3.08Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.12Å; I147-L150 PolarHBondContact O-N 3.38Å; I147-L150 VanDerWaalsContact O-N 3.15Å; I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.09Å; I147-I151 WeakPolarHBondContact O-CG1 3.5Å; I147-I151 PolarHBondContact O-N 2.97Å
148S84.1Confident83.3Confident55 Ų5560.5 Ų60.539%0.38533%0.331SS..Hα-helixtrans-57-46.4177.7-1780000111.5I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.42Å; I144-S148 PolarHBondContact O-N 3.08Å; E145-S148 WeakPolarHBondContact O-CB 3.4Å; E145-S148 PolarHBondContact O-N 2.97Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.47Å; S148-I151 PolarHBondContact O-N 3.39Å; S148-Q152 WeakPolarHBondContact O-CB 3.27Å; S148-Q152 PolarHBondContact O-N 3.36Å
149L83.1Confident83.6Confident41 Ų4163.3 Ų63.322%0.21534%0.338CS..Hα-helixtrans-59.7-36.7177.5-173.9121.4000112.4W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.19Å; W109-L149 HydrophobicContact CZ2-CD2 3.47Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.47Å; W109-L149 HydrophobicContact CZ2-CG 3.93Å; W109-L149 WeakPolarHBondContact CZ2-O 3.37Å; W109-L149 PolarHBondContact NE1-O 2.97Å; F128-L149 HydrophobicContact CE1-CD1 4.47Å; E145-L149 WeakPolarHBondContact O-CB 3.26Å; E145-L149 PolarHBondContact O-N 2.95Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 3.12Å; L149-P153 WeakPolarHBondContact O-CD 3.27Å
150L82.8Confident83.6Confident111 Ų11159.3 Ų59.358%0.58131%0.312SS*.Hα-helixtrans-79.5-37.7178.6-71174.7000114W109 T146 I147 S148 Q152 P153W109-L150 HydrophobicContact CH2-CD2 3.77Å; W109-L150 HydrophobicContact CZ2-CD2 4.22Å; T146-L150 WeakPolarHBondContact O-CG 3.45Å; T146-L150 PolarHBondContact O-N 2.75Å; I147-L150 PolarHBondContact O-N 3.38Å; I147-L150 VanDerWaalsContact O-N 3.15Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.47Å; L150-Q152 PolarHBondContact O-N 3.33Å; L150-P153 VanDerWaalsContact O-CD 3.28Å; L150-P153 WeakPolarHBondContact O-CD 3.2Å; L150-P153 WeakPolarHBondContact O-CG 3.34Å
151I84.9Confident83.7Confident102 Ų10254.5 Ų54.552%0.52329%0.289SS..Hα-helixtrans-66.2-29178.7-71.3173.6000110.6I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.09Å; I147-I151 WeakPolarHBondContact O-CG1 3.5Å; I147-I151 PolarHBondContact O-N 2.97Å; S148-I151 PolarHBondContact O-N 3.39Å; I151-M154 WeakPolarHBondContact O-CB 3.43Å; I151-M154 PolarHBondContact O-N 3.49Å; I151-A155 HydrophobicContact CG2-CB 4.46Å; I151-A155 WeakPolarHBondContact O-CB 3.15Å; I151-A155 PolarHBondContact O-N 3.05Å
152Q83.3Confident83.6Confident32 Ų3254.2 Ų54.215%0.1529%0.294CS..Hα-helixtrans-62-46.8-169.9-142-135.84.300116.4S148 L150 M154 A155 R156 Y221S148-Q152 WeakPolarHBondContact O-CB 3.27Å; S148-Q152 PolarHBondContact O-N 3.36Å; L150-Q152 PolarHBondContact O-N 3.33Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 2.97Å; Q152-A155 PolarHBondContact O-N 2.71Å; Q152-R156 WeakPolarHBondContact O-CG 3.08Å; Q152-R156 PolarHBondContact O-N 3Å; Q152-R156 VanDerWaalsContact O-N 3.15Å; Q152-Y221 VanDerWaalsContact CD-CE2 3.43Å; Q152-Y221 PolarHBondContact NE2-OH 3.38Å; Q152-Y221 PolarHBondContact OE1-OH 3Å
153P79.3Confident83.9Confident9 Ų954.8 Ų54.86%0.05830%0.295CS..Hα-helixtrans-62.2-37173.322.7-34.2000112.2W109 L149 L150 R156 A157W109-P153 HydrophobicContact CB-CB 3.87Å; W109-P153 HydrophobicContact CB-CG 4.37Å; W109-P153 HydrophobicContact CD2-CB 4.26Å; W109-P153 HydrophobicContact CD2-CG 3.78Å; W109-P153 HydrophobicContact CE3-CG 4.26Å; W109-P153 HydrophobicContact CG-CB 3.83Å; W109-P153 HydrophobicContact CG-CG 3.82Å; L149-P153 WeakPolarHBondContact O-CD 3.27Å; L150-P153 VanDerWaalsContact O-CD 3.28Å; L150-P153 WeakPolarHBondContact O-CD 3.2Å; L150-P153 WeakPolarHBondContact O-CG 3.34Å; P153-R156 PolarHBondContact O-N 3.35Å; P153-A157 PolarHBondContact O-N 3.4Å
154M83Confident83.9Confident82 Ų8250.7 Ų50.740%0.40427%0.274SS..Hα-helixtrans-63.6-46.2175.6-174.364.2174.500111L98 L102 I151 Q152 R156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.24Å; L102-M154 HydrophobicContact CD1-SD 3.35Å; L102-M154 WeakPolarHBondContact CD1-SD 3.45Å; L102-M154 HydrophobicContact CD2-SD 4.31Å; L102-M154 HydrophobicContact CG-SD 4.48Å; I151-M154 WeakPolarHBondContact O-CB 3.43Å; I151-M154 PolarHBondContact O-N 3.49Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 2.97Å; M154-R156 VanDerWaalsContact C-N 3.3Å; M154-R156 PolarHBondContact O-N 3.26Å; M154-A157 PolarHBondContact O-N 2.86Å; M154-V158 HydrophobicContact CE-CG2 3.94Å; M154-V158 HydrophobicContact CG-CG2 4.27Å; M154-V158 WeakPolarHBondContact O-CB 3.12Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.26Å; M154-V158 PolarHBondContact O-N 3.08Å; M154-V158 HydrophobicContact SD-CG2 4.23Å
155A85.2Confident83.9Confident40 Ų4048.1 Ų48.133%0.33126%0.263SS..Hα-helixtrans-60.6-37.7179.600000112.5I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.46Å; I151-A155 WeakPolarHBondContact O-CB 3.15Å; I151-A155 PolarHBondContact O-N 3.05Å; Q152-A155 PolarHBondContact O-N 2.71Å; A155-R159 VanDerWaalsContact O-CB 3.3Å; A155-R159 WeakPolarHBondContact O-CB 3.28Å; A155-R159 PolarHBondContact O-N 3.37Å
156R77.9Confident84.1Confident11 Ų1147.4 Ų47.44%0.04227%0.269CS..Hα-helixtrans-66.4-43.9176.3-65.5169.9-166.8-157.74.7111.9Q152 P153 M154 L160 F214 L217 V218Q152-R156 WeakPolarHBondContact O-CG 3.08Å; Q152-R156 PolarHBondContact O-N 3Å; Q152-R156 VanDerWaalsContact O-N 3.15Å; P153-R156 PolarHBondContact O-N 3.35Å; M154-R156 VanDerWaalsContact C-N 3.3Å; M154-R156 PolarHBondContact O-N 3.26Å; R156-L160 PolarHBondContact O-N 2.99Å; R156-F214 HydrophobicContact CB-CD2 3.95Å; R156-F214 HydrophobicContact CB-CE2 3.85Å; R156-L217 HydrophobicContact CG-CD1 4.21Å; R156-L217 PolarHBondContact NH1-O 3.34Å; R156-L217 PolarHBondContact NH2-O 2.98Å; R156-V218 VanDerWaalsContact NH1-CA 3.35Å; R156-V218 VanDerWaalsContact NH1-CG2 3.29Å; R156-V218 VanDerWaalsContact NH1-N 3.13Å
157A83.7Confident84.3Confident0 Ų045.2 Ų45.20%026%0.256CS..Hα-helixtrans-65.4-45.9178.600000111.8L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.37Å; N101-A157 HydrophobicContact CB-CB 3.92Å; N101-A157 PolarHBondContact ND2-O 3.13Å; L102-A157 HydrophobicContact CB-CB 4.47Å; L102-A157 HydrophobicContact CD1-CB 3.68Å; A105-A157 HydrophobicContact CB-CB 4.12Å; P153-A157 PolarHBondContact O-N 3.4Å; M154-A157 PolarHBondContact O-N 2.86Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.5Å; A157-L160 PolarHBondContact O-N 3.45Å; A157-T161 PolarHBondContact O-N 2.9Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 2.94Å
158V86.4Confident84.4Confident60 Ų6042.7 Ų42.736%0.36424%0.243SC..Hα-helixtrans-64-38.4178.3173.10000111.5L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.91Å; M154-V158 HydrophobicContact CE-CG2 3.94Å; M154-V158 HydrophobicContact CG-CG2 4.27Å; M154-V158 WeakPolarHBondContact O-CB 3.12Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.26Å; M154-V158 PolarHBondContact O-N 3.08Å; M154-V158 HydrophobicContact SD-CG2 4.23Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.48Å; V158-T161 WeakPolarHBondContact CA-OG1 3.25Å; V158-T161 PolarHBondContact O-N 3.32Å; V158-T161 PolarHBondContact O-OG1 3.4Å; V158-A162 WeakPolarHBondContact O-CB 3.39Å; V158-A162 PolarHBondContact O-N 3.46Å
159R87.1Confident84.6Confident107 Ų10742.2 Ų42.240%0.40424%0.235SC..Hα-helixtrans-61.5-42.5177.4-169.7-174.1-60.6170.7-0.7111.8A155 A157 N163 Q210A155-R159 VanDerWaalsContact O-CB 3.3Å; A155-R159 WeakPolarHBondContact O-CB 3.28Å; A155-R159 PolarHBondContact O-N 3.37Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.5Å; R159-N163 VanDerWaalsContact O-CG 3.29Å; R159-N163 PolarHBondContact O-N 3.41Å; R159-Q210 VanDerWaalsContact C-NE2 3.32Å; R159-Q210 VanDerWaalsContact CG-NE2 3.32Å
160L80.8Confident84.9Confident1 Ų144 Ų441%0.00525%0.245CC..Hα-helixtrans-67.2-44179.9178.765.1000111I79 N83 T95 N101 R156 A157 V158 I164 Q210I79-L160 HydrophobicContact CG2-CD1 4.15Å; I79-L160 HydrophobicContact CG2-CD2 4.1Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.48Å; T95-L160 HydrophobicContact CG2-CD2 4.47Å; N101-L160 HydrophobicContact CB-CD2 4.42Å; N101-L160 WeakPolarHBondContact ND2-CG 3.43Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.34Å; R156-L160 PolarHBondContact O-N 2.99Å; A157-L160 PolarHBondContact O-N 3.45Å; V158-L160 VanDerWaalsContact C-N 3.33Å; V158-L160 PolarHBondContact O-N 3.48Å; L160-I164 HydrophobicContact CD1-CD1 3.66Å; L160-I164 HydrophobicContact CG-CD1 4.23Å; L160-I164 WeakPolarHBondContact O-CG1 3.47Å; L160-I164 PolarHBondContact O-N 2.87Å; L160-Q210 VanDerWaalsContact CA-NE2 3.29Å; L160-Q210 HydrophobicContact CB-CG 4.26Å; L160-Q210 HydrophobicContact CD1-CB 4.39Å; L160-Q210 HydrophobicContact CD1-CG 3.43Å; L160-Q210 VanDerWaalsContact CD1-CG 3.43Å; L160-Q210 HydrophobicContact CG-CG 4.44Å
161T84.8Confident85.3Confident13 Ų1340.2 Ų40.28%0.0822%0.224CC..Hα-helixtrans-64.8-47.917648.70000111.9T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.05Å; L98-T161 VanDerWaalsContact CA-CG2 3.46Å; L98-T161 HydrophobicContact CB-CG2 4.02Å; L98-T161 HydrophobicContact CD1-CG2 3.96Å; N101-T161 HydrophobicContact CB-CG2 4.27Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.27Å; N101-T161 PolarHBondContact ND2-N 2.93Å; A157-T161 PolarHBondContact O-N 2.9Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 2.94Å; V158-T161 WeakPolarHBondContact CA-OG1 3.25Å; V158-T161 PolarHBondContact O-N 3.32Å; V158-T161 PolarHBondContact O-OG1 3.4Å; T161-N163 PolarHBondContact O-N 3.32Å; T161-I164 PolarHBondContact O-N 3.19Å; T161-T165 VanDerWaalsContact O-CB 3.28Å; T161-T165 WeakPolarHBondContact O-CB 3.42Å; T161-T165 WeakPolarHBondContact O-CG2 3.3Å; T161-T165 PolarHBondContact O-N 3.18Å; T161-T165 PolarHBondContact O-OG1 3.3Å
162A84.7Confident85.5Confident41 Ų4139.5 Ų39.534%0.33922%0.219SC..Hα-helixtrans-61.3-45.4-17300000111.3V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.39Å; V158-A162 PolarHBondContact O-N 3.46Å; A162-T165 WeakPolarHBondContact CA-OG1 3.16Å; A162-T165 PolarHBondContact O-OG1 3.38Å; A162-T165 VanDerWaalsContact O-OG1 3.09Å; A162-A166 WeakPolarHBondContact O-CB 3.17Å; A162-A166 PolarHBondContact O-N 2.98Å
163N87.9Confident85.8Confident58 Ų5842.3 Ų42.331%0.3123%0.234SC..Hα-helixtrans-63-49.5-179.8-69-4.7000111.7R159 T161 G167 V206R159-N163 VanDerWaalsContact O-CG 3.29Å; R159-N163 PolarHBondContact O-N 3.41Å; T161-N163 PolarHBondContact O-N 3.32Å; N163-G167 PolarHBondContact O-N 3.3Å; N163-V206 HydrophobicContact CB-CG1 4.07Å
164I84.6Confident86.4Confident5 Ų543.5 Ų43.53%0.02624%0.24CC..Hα-helixtrans-69.8-41.3-176.3-60.1173.8000111.4N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.23Å; N83-I164 VanDerWaalsContact CG-CD1 3.43Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.28Å; T93-I164 HydrophobicContact CG2-CG2 4.23Å; T95-I164 VanDerWaalsContact OG1-CD1 3.27Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.45Å; T96-I164 HydrophobicContact CG2-CB 4.35Å; T96-I164 HydrophobicContact CG2-CG2 3.65Å; L160-I164 HydrophobicContact CD1-CD1 3.66Å; L160-I164 HydrophobicContact CG-CD1 4.23Å; L160-I164 WeakPolarHBondContact O-CG1 3.47Å; L160-I164 PolarHBondContact O-N 2.87Å; T161-I164 PolarHBondContact O-N 3.19Å; I164-H168 WeakPolarHBondContact O-CB 3.36Å; I164-H168 PolarHBondContact O-CD2 3.16Å; I164-H168 PolarHBondContact O-N 2.98Å; I164-H168 VanDerWaalsContact O-N 3.08Å
165T87.2Confident86.7Confident37 Ų3740.7 Ų40.723%0.22723%0.232CC..Hα-helixtrans-64.6-47.1176.854.40000111.8F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CE1-CG2 4.25Å; T96-T165 HydrophobicContact CG2-CG2 3.77Å; T161-T165 VanDerWaalsContact O-CB 3.28Å; T161-T165 WeakPolarHBondContact O-CB 3.42Å; T161-T165 WeakPolarHBondContact O-CG2 3.3Å; T161-T165 PolarHBondContact O-N 3.18Å; T161-T165 PolarHBondContact O-OG1 3.3Å; A162-T165 WeakPolarHBondContact CA-OG1 3.16Å; A162-T165 PolarHBondContact O-OG1 3.38Å; A162-T165 VanDerWaalsContact O-OG1 3.09Å; T165-H168 PolarHBondContact O-N 3.46Å; T165-L169 WeakPolarHBondContact O-CB 3.31Å; T165-L169 WeakPolarHBondContact O-CG 3.03Å; T165-L169 PolarHBondContact O-N 2.93Å
166A87.1Confident86.9Confident54 Ų5441.6 Ų41.645%0.44624%0.236SC..Hα-helixtrans-64.5-43.517900000111.5A162 H168 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.17Å; A162-A166 PolarHBondContact O-N 2.98Å; A166-H168 PolarHBondContact O-N 2.83Å; A166-L169 PolarHBondContact O-N 2.8Å; A166-L170 VanDerWaalsContact O-CB 3.25Å; A166-L170 WeakPolarHBondContact O-CB 3.37Å; A166-L170 PolarHBondContact O-N 2.92Å
167G87.6Confident87.4Confident6 Ų642.9 Ų42.96%0.06225%0.249CC..Hα-helixtrans-57.8-48.6175.800000112.4N163 L170 M171N163-G167 PolarHBondContact O-N 3.3Å; G167-L170 PolarHBondContact O-N 3.25Å; G167-M171 WeakPolarHBondContact O-CB 3.43Å; G167-M171 WeakPolarHBondContact O-CG 3.34Å; G167-M171 PolarHBondContact O-N 3.27Å
168H87.6Confident87.7Confident32 Ų3243.8 Ų43.815%0.14826%0.255CS..Hα-helixtrans-62.4-43.6176.4-92.3-90.2000113.5F9 G86 I164 T165 A166 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.07Å; F9-H168 HydrophobicContact CZ-CB 3.8Å; G86-H168 PolarHBondContact O-CE1 3.3Å; G86-H168 PolarHBondContact O-NE2 3.04Å; I164-H168 WeakPolarHBondContact O-CB 3.36Å; I164-H168 PolarHBondContact O-CD2 3.16Å; I164-H168 PolarHBondContact O-N 2.98Å; I164-H168 VanDerWaalsContact O-N 3.08Å; T165-H168 PolarHBondContact O-N 3.46Å; A166-H168 PolarHBondContact O-N 2.83Å; H168-L170 VanDerWaalsContact C-N 3.33Å; H168-L170 PolarHBondContact O-N 3.16Å; H168-M171 PolarHBondContact O-N 3.31Å; H168-H172 WeakPolarHBondContact O-CB 2.98Å; H168-H172 PolarHBondContact O-N 3.08Å
169L88.2Confident87.9Confident44 Ų4446.9 Ų46.923%0.2327%0.269CS..Hα-helixtrans-62-42.9176.1-77.6170.4000111.3F6 F9 T165 A166 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.36Å; F6-L169 HydrophobicContact CE1-CD1 4.1Å; F6-L169 HydrophobicContact CE1-CD2 4Å; F6-L169 HydrophobicContact CZ-CD2 4.43Å; F9-L169 HydrophobicContact CE2-CD1 4.47Å; F9-L169 HydrophobicContact CE2-CD2 3.68Å; F9-L169 HydrophobicContact CE2-CG 3.78Å; F9-L169 HydrophobicContact CZ-CD2 4.3Å; F9-L169 HydrophobicContact CZ-CG 3.92Å; T165-L169 WeakPolarHBondContact O-CB 3.31Å; T165-L169 WeakPolarHBondContact O-CG 3.03Å; T165-L169 PolarHBondContact O-N 2.93Å; A166-L169 PolarHBondContact O-N 2.8Å; L169-H172 PolarHBondContact O-N 3.41Å; L169-L173 WeakPolarHBondContact O-CB 3.34Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.46Å; L169-L173 PolarHBondContact O-N 3.39Å
170L89.9Confident87.9Confident80 Ų8044 Ų4442%0.41927%0.268SS..Hα-helixtrans-68.3-41.7-178.7-155.9152.8000111.1A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.25Å; A166-L170 WeakPolarHBondContact O-CB 3.37Å; A166-L170 PolarHBondContact O-N 2.92Å; G167-L170 PolarHBondContact O-N 3.25Å; H168-L170 VanDerWaalsContact C-N 3.33Å; H168-L170 PolarHBondContact O-N 3.16Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 2.96Å; L170-L173 PolarHBondContact O-N 3.2Å; L170-I174 HydrophobicContact CD2-CD1 3.46Å; L170-I174 VanDerWaalsContact CD2-CD1 3.46Å; L170-I174 HydrophobicContact CD2-CG1 4.08Å; L170-I174 WeakPolarHBondContact O-CG1 3.35Å; L170-I174 PolarHBondContact O-N 3.31Å; L170-L199 HydrophobicContact CB-CD2 4.38Å; L170-L199 HydrophobicContact CD2-CD1 3.68Å; L170-L199 HydrophobicContact CD2-CD2 3.22Å; L170-L199 HydrophobicContact CD2-CG 4.06Å; L170-L199 HydrophobicContact CG-CD2 4.38Å
171M90.4Very high88.2Confident30 Ų3047 Ų4715%0.14828%0.282CS..Hα-helixtrans-58.9-43.2171.7-75-173.2-68.900111.8L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 3.97Å; G167-M171 WeakPolarHBondContact O-CB 3.43Å; G167-M171 WeakPolarHBondContact O-CG 3.34Å; G167-M171 PolarHBondContact O-N 3.27Å; H168-M171 PolarHBondContact O-N 3.31Å; M171-G175 PolarHBondContact O-N 3.49Å; M171-L199 HydrophobicContact CB-CD2 4.33Å; M171-L199 HydrophobicContact CG-CD2 3.56Å; M171-L199 HydrophobicContact CG-CG 4.19Å; M171-T200 HydrophobicContact SD-CG2 3.85Å; M171-E203 HydrophobicContact CE-CG 4.19Å
172H89.1Confident88.3Confident88 Ų8849.4 Ų49.441%0.40730%0.3SS..Hα-helixtrans-68.3-41.3178.7-169-59.5000112.3L5 H168 L169 L170 G175 S176L5-H172 VanDerWaalsContact CD2-CE1 3.45Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.39Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.09Å; H168-H172 WeakPolarHBondContact O-CB 2.98Å; H168-H172 PolarHBondContact O-N 3.08Å; L169-H172 PolarHBondContact O-N 3.41Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 2.96Å; H172-G175 PolarHBondContact O-N 3.3Å; H172-S176 WeakPolarHBondContact O-CB 3.25Å; H172-S176 PolarHBondContact O-N 3.33Å; H172-S176 PolarHBondContact O-OG 3.23Å
173L89.9Confident88.5Confident90 Ų9053.1 Ų53.147%0.47132%0.318SS..Hα-helixtrans-63.8-48.5178.3-74.2171.8000111.2L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 4.13Å; L5-L173 HydrophobicContact CD2-CD2 4.32Å; L169-L173 WeakPolarHBondContact O-CB 3.34Å; L169-L173 VanDerWaalsContact O-CG 3.31Å; L169-L173 WeakPolarHBondContact O-CG 3.46Å; L169-L173 PolarHBondContact O-N 3.39Å; L170-L173 PolarHBondContact O-N 3.2Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 2.98Å; L173-S176 PolarHBondContact O-N 3.4Å; L173-S176 PolarHBondContact O-OG 3.01Å; L173-A177 PolarHBondContact O-N 3.07Å
174I91.2Very high88.4Confident34 Ų3455.4 Ų55.417%0.17433%0.329CS..Hα-helixtrans-64.1-40.6176.5-64.7-174.4000110.6L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.46Å; L170-I174 VanDerWaalsContact CD2-CD1 3.46Å; L170-I174 HydrophobicContact CD2-CG1 4.08Å; L170-I174 WeakPolarHBondContact O-CG1 3.35Å; L170-I174 PolarHBondContact O-N 3.31Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.04Å; I174-A177 WeakPolarHBondContact O-CB 3.31Å; I174-A177 PolarHBondContact O-N 3.43Å; I174-A177 VanDerWaalsContact O-N 3.15Å; I174-T178 HydrophobicContact CG2-CG2 4.36Å; I174-T178 WeakPolarHBondContact O-CG2 3.28Å; I174-T178 PolarHBondContact O-N 2.92Å; I174-T178 PolarHBondContact O-OG1 2.94Å; I174-I192 HydrophobicContact CG2-CG2 3.82Å; I174-I195 HydrophobicContact CD1-CG2 4.1Å; I174-L196 HydrophobicContact CB-CD1 4.21Å; I174-L196 HydrophobicContact CG2-CB 3.94Å; I174-L196 HydrophobicContact CG2-CD1 4Å; I174-L199 HydrophobicContact CD1-CD2 4.16Å
175G89.9Confident88.6Confident24 Ų2459.6 Ų59.625%0.24735%0.352CS..Hα-helixtrans-61.4-36.917500000113.7M171 H172 L173 T178 L179M171-G175 PolarHBondContact O-N 3.49Å; H172-G175 PolarHBondContact O-N 3.3Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 2.98Å; G175-T178 WeakPolarHBondContact CA-OG1 3.25Å; G175-T178 PolarHBondContact O-OG1 3Å; G175-L179 WeakPolarHBondContact O-CB 3.44Å; G175-L179 PolarHBondContact O-N 3.32Å
176S88.8Confident88.6Confident59 Ų5964.7 Ų64.741%0.41338%0.377SS..Hα-helixtrans-70.5-35.5173.771.60000112.2H172 L173 I174 L179 A180H172-S176 WeakPolarHBondContact O-CB 3.25Å; H172-S176 PolarHBondContact O-N 3.33Å; H172-S176 PolarHBondContact O-OG 3.23Å; L173-S176 PolarHBondContact O-N 3.4Å; L173-S176 PolarHBondContact O-OG 3.01Å; I174-S176 VanDerWaalsContact C-N 3.33Å; I174-S176 PolarHBondContact O-N 3.04Å; S176-L179 PolarHBondContact O-N 3.11Å; S176-A180 WeakPolarHBondContact O-CB 3.49Å; S176-A180 PolarHBondContact O-N 3.14Å
177A88.3Confident88.7Confident38 Ų3866.6 Ų66.631%0.31439%0.385SS..Hα-helixtrans-69.1-40.8176.100000112L173 I174 L179 A180 M181L173-A177 PolarHBondContact O-N 3.07Å; I174-A177 WeakPolarHBondContact O-CB 3.31Å; I174-A177 PolarHBondContact O-N 3.43Å; I174-A177 VanDerWaalsContact O-N 3.15Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.31Å; A177-A180 PolarHBondContact O-N 3.46Å; A177-M181 WeakPolarHBondContact O-CB 3.42Å; A177-M181 WeakPolarHBondContact O-CG 3.48Å; A177-M181 PolarHBondContact O-N 2.88Å
178T90.4Very high88.6Confident18 Ų1868.2 Ų68.211%0.1140%0.395CS..Hα-helixtrans-61.2-42.6174.255.60000110.9I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.36Å; I174-T178 WeakPolarHBondContact O-CG2 3.28Å; I174-T178 PolarHBondContact O-N 2.92Å; I174-T178 PolarHBondContact O-OG1 2.94Å; G175-T178 WeakPolarHBondContact CA-OG1 3.25Å; G175-T178 PolarHBondContact O-OG1 3Å; T178-M181 PolarHBondContact O-N 3.4Å; T178-S182 WeakPolarHBondContact O-CB 3.35Å; T178-S182 PolarHBondContact O-N 3.28Å; T178-I192 HydrophobicContact CG2-CB 3.88Å; T178-I192 HydrophobicContact CG2-CG2 3.37Å
179L89.4Confident88.8Confident126 Ų12667.8 Ų67.866%0.6640%0.395SS*.Hα-helixtrans-65.6-43.1179.1-160.6148.8000111.5G175 S176 A177 S182G175-L179 WeakPolarHBondContact O-CB 3.44Å; G175-L179 PolarHBondContact O-N 3.32Å; S176-L179 PolarHBondContact O-N 3.11Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.31Å; L179-S182 PolarHBondContact O-N 2.97Å; L179-S182 PolarHBondContact O-OG 2.75Å
180A88.6Confident88.9Confident47 Ų4771.6 Ų71.639%0.38842%0.415SS..Hα-helixtrans-63-45.2174.800000112.2S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.49Å; S176-A180 PolarHBondContact O-N 3.14Å; A177-A180 PolarHBondContact O-N 3.46Å; A180-S182 VanDerWaalsContact C-N 3.29Å; A180-S182 PolarHBondContact O-N 3.37Å; A180-T183 PolarHBondContact O-N 2.89Å; A180-T183 PolarHBondContact O-OG1 3.49Å
181M87.2Confident89.1Confident63 Ų6372.7 Ų72.731%0.3142%0.42SS..Hα-helixtrans-69.4-25.5-179-69-65.5112.200113.5A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.42Å; A177-M181 WeakPolarHBondContact O-CG 3.48Å; A177-M181 PolarHBondContact O-N 2.88Å; T178-M181 PolarHBondContact O-N 3.4Å; M181-T183 PolarHBondContact O-N 2.98Å; M181-T183 VanDerWaalsContact O-N 3.15Å; M181-I184 HydrophobicContact CE-CD1 3.6Å; M181-I184 PolarHBondContact O-N 2.89Å; M181-I184 HydrophobicContact SD-CD1 4.27Å; M181-N185 PolarHBondContact O-N 3.5Å; M181-N185 VanDerWaalsContact O-N 3.09Å; M181-T189 PolarHBondContact O-OG1 3.45Å; M181-T189 VanDerWaalsContact O-OG1 3.12Å; M181-I192 HydrophobicContact CB-CD1 4.21Å; M181-I192 HydrophobicContact CG-CD1 3.69Å
182S87.1Confident89.2Confident64 Ų6473.2 Ų73.245%0.44842%0.423SS..Hα-helixtrans-57.5-28.9177.476.10000113T178 L179 A180 T189T178-S182 WeakPolarHBondContact O-CB 3.35Å; T178-S182 PolarHBondContact O-N 3.28Å; L179-S182 PolarHBondContact O-N 2.97Å; L179-S182 PolarHBondContact O-OG 2.75Å; A180-S182 VanDerWaalsContact C-N 3.29Å; A180-S182 PolarHBondContact O-N 3.37Å; S182-T189 WeakPolarHBondContact CA-OG1 3.27Å; S182-T189 PolarHBondContact N-OG1 2.98Å
183T87.3Confident89.3Confident118 Ų11874.2 Ų74.272%0.72443%0.426SS*.THydrogen-bonded Turntrans-81.7-18.717966.30000113.7A180 M181A180-T183 PolarHBondContact O-N 2.89Å; A180-T183 PolarHBondContact O-OG1 3.49Å; M181-T183 PolarHBondContact O-N 2.98Å; M181-T183 VanDerWaalsContact O-N 3.15Å
184I87.3Confident89.5Confident106 Ų10673.5 Ų73.554%0.54443%0.426SS..THydrogen-bonded Turntrans-99.6-60.8-173-58.1170.5000110.1M181M181-I184 HydrophobicContact CE-CD1 3.6Å; M181-I184 PolarHBondContact O-N 2.89Å; M181-I184 HydrophobicContact SD-CD1 4.27Å
185N88Confident89.6Confident94 Ų9475.9 Ų75.950%0.50344%0.438SS..  trans-144.9123.7-172.9-81.3-20.8000111.3M181 S188 T189M181-N185 PolarHBondContact O-N 3.5Å; M181-N185 VanDerWaalsContact O-N 3.09Å; N185-S188 VanDerWaalsContact CB-OG 3.29Å; N185-S188 WeakPolarHBondContact CB-OG 3.47Å; N185-S188 PolarHBondContact O-OG 3.38Å; N185-S188 VanDerWaalsContact O-OG 3.06Å; N185-T189 PolarHBondContact O-N 2.98Å; N185-T189 PolarHBondContact O-OG1 2.6Å
186L86.8Confident89.8Confident144 Ų14476.2 Ų76.275%0.75443%0.434SS*.Hα-helixtrans-62.7-45.1177.3-156.789.6000114.3S188 T189 L190L186-S188 PolarHBondContact O-N 3.46Å; L186-T189 WeakPolarHBondContact O-CB 3.29Å; L186-T189 PolarHBondContact O-N 3.35Å; L186-L190 PolarHBondContact O-N 2.83Å
187P88.6Confident90Very high94 Ų9477.1 Ų77.161%0.6143%0.433SS*.Hα-helixtrans-69.2-36.6-174.725-32.9000113.1T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.32Å; P187-L190 PolarHBondContact O-N 3.31Å; P187-I191 PolarHBondContact O-N 2.85Å
188S86.9Confident90.3Very high39 Ų3981.1 Ų81.127%0.27345%0.449SS..Hα-helixtrans-67.9-34.1174.6530000112N185 L186 L190 I191 I192N185-S188 VanDerWaalsContact CB-OG 3.29Å; N185-S188 WeakPolarHBondContact CB-OG 3.47Å; N185-S188 PolarHBondContact O-OG 3.38Å; N185-S188 VanDerWaalsContact O-OG 3.06Å; L186-S188 PolarHBondContact O-N 3.46Å; S188-L190 VanDerWaalsContact C-N 3.31Å; S188-L190 PolarHBondContact O-N 3.44Å; S188-I191 PolarHBondContact O-N 3.32Å; S188-I192 WeakPolarHBondContact O-CG1 3.42Å; S188-I192 PolarHBondContact O-N 3.06Å; S188-I192 VanDerWaalsContact O-N 3.12Å
189T91.4Very high90.4Very high24 Ų2481.4 Ų81.415%0.14745%0.45CS..Hα-helixtrans-61.6-40.9175-590000111.4M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 3.45Å; M181-T189 VanDerWaalsContact O-OG1 3.12Å; S182-T189 WeakPolarHBondContact CA-OG1 3.27Å; S182-T189 PolarHBondContact N-OG1 2.98Å; N185-T189 PolarHBondContact O-N 2.98Å; N185-T189 PolarHBondContact O-OG1 2.6Å; L186-T189 WeakPolarHBondContact O-CB 3.29Å; L186-T189 PolarHBondContact O-N 3.35Å; P187-T189 VanDerWaalsContact C-N 3.32Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.32Å; T189-I192 PolarHBondContact O-N 3.34Å; T189-F193 VanDerWaalsContact O-CB 3.28Å; T189-F193 WeakPolarHBondContact O-CB 3.14Å; T189-F193 PolarHBondContact O-N 2.88Å
190L91.1Very high90.5Very high123 Ų12377.8 Ų77.864%0.64443%0.433SS*.Hα-helixtrans-60.2-42.3177.4-158.397.8000111.5L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 2.83Å; P187-L190 PolarHBondContact O-N 3.31Å; S188-L190 VanDerWaalsContact C-N 3.31Å; S188-L190 PolarHBondContact O-N 3.44Å; L190-F193 PolarHBondContact O-N 3.41Å; L190-T194 WeakPolarHBondContact O-CG2 3.49Å; L190-T194 PolarHBondContact O-N 3.11Å; L190-T194 PolarHBondContact O-OG1 3.32Å
191I92.4Very high90.7Very high104 Ų10480.5 Ų80.553%0.53344%0.44SS..Hα-helixtrans-64.8-44.3178.8-62166.2000111.2P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 2.85Å; S188-I191 PolarHBondContact O-N 3.32Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.32Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 2.96Å; I191-T194 PolarHBondContact O-N 2.95Å; I191-T194 PolarHBondContact O-OG1 3.4Å; I191-I195 HydrophobicContact CG2-CD1 4.37Å; I191-I195 WeakPolarHBondContact O-CG1 3.44Å; I191-I195 PolarHBondContact O-N 3.01Å
192I92.6Very high90.9Very high41 Ų4182.3 Ų82.321%0.2145%0.45CS..Hα-helixtrans-70.5-33.6179.9-56.8166.8000110.2I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.82Å; T178-I192 HydrophobicContact CG2-CB 3.88Å; T178-I192 HydrophobicContact CG2-CG2 3.37Å; M181-I192 HydrophobicContact CB-CD1 4.21Å; M181-I192 HydrophobicContact CG-CD1 3.69Å; S188-I192 WeakPolarHBondContact O-CG1 3.42Å; S188-I192 PolarHBondContact O-N 3.06Å; S188-I192 VanDerWaalsContact O-N 3.12Å; T189-I192 PolarHBondContact O-N 3.34Å; I192-I195 WeakPolarHBondContact O-CB 3.35Å; I192-I195 PolarHBondContact O-N 3.42Å; I192-L196 PolarHBondContact O-N 2.95Å
193F92.4Very high91.1Very high109 Ų10979.9 Ų79.948%0.47843%0.431SS..Hα-helixtrans-66.3-38.7175.3-172.5-105.9000112.7T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.28Å; T189-F193 WeakPolarHBondContact O-CB 3.14Å; T189-F193 PolarHBondContact O-N 2.88Å; L190-F193 PolarHBondContact O-N 3.41Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 2.96Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 2.94Å; F193-L196 HydrophobicContact CD2-CD2 4.44Å; F193-L196 WeakPolarHBondContact O-CB 3.5Å; F193-L196 PolarHBondContact O-N 3.5Å; F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.54Å; F193-I197 HydrophobicContact CE1-CG1 4.28Å; F193-I197 HydrophobicContact CZ-CD1 4.19Å; F193-I197 PolarHBondContact O-N 3.15Å; F193-I197 VanDerWaalsContact O-N 3.08Å
194T93.4Very high91.3Very high74 Ų7478.3 Ų78.345%0.45442%0.418SS..Hα-helixtrans-65-37.2173.4570000111.8L190 I191 L196 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.49Å; L190-T194 PolarHBondContact O-N 3.11Å; L190-T194 PolarHBondContact O-OG1 3.32Å; I191-T194 PolarHBondContact O-N 2.95Å; I191-T194 PolarHBondContact O-OG1 3.4Å; T194-L196 VanDerWaalsContact C-N 3.34Å; T194-I197 PolarHBondContact O-N 2.98Å; T194-L198 PolarHBondContact O-N 2.87Å
195I94.1Very high91.5Very high85 Ų8575.3 Ų75.344%0.43641%0.409SS..Hα-helixtrans-61.9-42172.9-65.5166.7000110.9I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.1Å; I191-I195 HydrophobicContact CG2-CD1 4.37Å; I191-I195 WeakPolarHBondContact O-CG1 3.44Å; I191-I195 PolarHBondContact O-N 3.01Å; I192-I195 WeakPolarHBondContact O-CB 3.35Å; I192-I195 PolarHBondContact O-N 3.42Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 2.94Å; I195-I197 PolarHBondContact O-N 2.98Å; I195-L198 PolarHBondContact O-N 2.81Å; I195-L199 WeakPolarHBondContact O-CB 3.44Å; I195-L199 PolarHBondContact O-N 3.24Å
196L93.4Very high91.7Very high31 Ų3172.8 Ų72.816%0.16240%0.397CS..Hα-helixtrans-60.1-43.7176.4-177.365.9000111.8I174 I192 F193 T194 L199 T200I174-L196 HydrophobicContact CB-CD1 4.21Å; I174-L196 HydrophobicContact CG2-CB 3.94Å; I174-L196 HydrophobicContact CG2-CD1 4Å; I192-L196 PolarHBondContact O-N 2.95Å; F193-L196 HydrophobicContact CD2-CD2 4.44Å; F193-L196 WeakPolarHBondContact O-CB 3.5Å; F193-L196 PolarHBondContact O-N 3.5Å; T194-L196 VanDerWaalsContact C-N 3.34Å; L196-L199 PolarHBondContact O-N 3.19Å; L196-T200 WeakPolarHBondContact O-CG2 3.25Å; L196-T200 PolarHBondContact O-N 3.46Å
197I93Very high91.8Very high78 Ų7866.1 Ų66.140%0.436%0.362SS..Hα-helixtrans-63-42.6176-66.8165.6000111.1F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.54Å; F193-I197 HydrophobicContact CE1-CG1 4.28Å; F193-I197 HydrophobicContact CZ-CD1 4.19Å; F193-I197 PolarHBondContact O-N 3.15Å; F193-I197 VanDerWaalsContact O-N 3.08Å; T194-I197 PolarHBondContact O-N 2.98Å; I195-I197 PolarHBondContact O-N 2.98Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.45Å; I197-T200 PolarHBondContact O-N 2.83Å; I197-T200 PolarHBondContact O-OG1 3.42Å; I197-I201 HydrophobicContact CG2-CD1 4.13Å; I197-I201 WeakPolarHBondContact O-CG1 3.25Å; I197-I201 PolarHBondContact O-N 3.2Å
198L94.7Very high91.8Very high121 Ų12166.9 Ų66.963%0.63436%0.361SS*.Hα-helixtrans-63.4-39.3178.5-175.463.5000111.4T194 I195 I201 L202T194-L198 PolarHBondContact O-N 2.87Å; I195-L198 PolarHBondContact O-N 2.81Å; L198-I201 PolarHBondContact O-N 3.42Å; L198-L202 PolarHBondContact O-N 3.41Å
199L93.4Very high91.9Very high25 Ų2569.7 Ų69.713%0.13137%0.372CS..Hα-helixtrans-64.4-42.3176.8-178.273000112.3L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.38Å; L170-L199 HydrophobicContact CD2-CD1 3.68Å; L170-L199 HydrophobicContact CD2-CD2 3.22Å; L170-L199 HydrophobicContact CD2-CG 4.06Å; L170-L199 HydrophobicContact CG-CD2 4.38Å; M171-L199 HydrophobicContact CB-CD2 4.33Å; M171-L199 HydrophobicContact CG-CD2 3.56Å; M171-L199 HydrophobicContact CG-CG 4.19Å; I174-L199 HydrophobicContact CD1-CD2 4.16Å; I195-L199 WeakPolarHBondContact O-CB 3.44Å; I195-L199 PolarHBondContact O-N 3.24Å; L196-L199 PolarHBondContact O-N 3.19Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.45Å; L199-I201 VanDerWaalsContact C-N 3.3Å; L199-I201 PolarHBondContact O-N 3.34Å; L199-L202 WeakPolarHBondContact O-CB 3.44Å; L199-L202 PolarHBondContact O-N 3.47Å; L199-E203 PolarHBondContact O-N 2.89Å
200T91.4Very high91.8Very high50 Ų5069.1 Ų69.131%0.30737%0.368SS..Hα-helixtrans-64.3-38.1178.957.50000111.4M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.85Å; L196-T200 WeakPolarHBondContact O-CG2 3.25Å; L196-T200 PolarHBondContact O-N 3.46Å; I197-T200 PolarHBondContact O-N 2.83Å; I197-T200 PolarHBondContact O-OG1 3.42Å; T200-E203 PolarHBondContact O-N 3.04Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.3Å; T200-I204 PolarHBondContact O-N 3.12Å
201I92.7Very high91.7Very high103 Ų10363.3 Ų63.353%0.52834%0.337SS..Hα-helixtrans-62.3-44.3173.7-65.2166.9000110.8I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.13Å; I197-I201 WeakPolarHBondContact O-CG1 3.25Å; I197-I201 PolarHBondContact O-N 3.2Å; L198-I201 PolarHBondContact O-N 3.42Å; L199-I201 VanDerWaalsContact C-N 3.3Å; L199-I201 PolarHBondContact O-N 3.34Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.19Å; I201-I204 PolarHBondContact O-N 3.43Å; I201-A205 PolarHBondContact O-N 3.45Å; I201-A205 VanDerWaalsContact O-N 3.16Å
202L91.9Very high91.6Very high101 Ų10163.1 Ų63.153%0.52933%0.331SS..Hα-helixtrans-59.7-45.4176.2178.966.5000111.2L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3.41Å; L199-L202 WeakPolarHBondContact O-CB 3.44Å; L199-L202 PolarHBondContact O-N 3.47Å; L202-I204 PolarHBondContact O-N 3.03Å; L202-A205 WeakPolarHBondContact O-CB 3.38Å; L202-A205 PolarHBondContact O-N 3.48Å; L202-A205 VanDerWaalsContact O-N 3.12Å; L202-V206 HydrophobicContact CD1-CG2 4.31Å; L202-V206 HydrophobicContact CG-CG2 4.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.48Å; L202-V206 PolarHBondContact O-N 3.33Å
203E90.7Very high91.4Very high13 Ų1363.2 Ų63.26%0.06133%0.333CS..Hα-helixtrans-66.8-36.8-177.1-163.364.2-160.500112.1L87 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.33Å; L87-E203 HydrophobicContact CD2-CB 4.23Å; L87-E203 HydrophobicContact CD2-CG 3.39Å; M171-E203 HydrophobicContact CE-CG 4.19Å; L199-E203 PolarHBondContact O-N 2.89Å; T200-E203 PolarHBondContact O-N 3.04Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.19Å; E203-A205 VanDerWaalsContact C-N 3.31Å; E203-A205 PolarHBondContact O-N 2.89Å; E203-V206 PolarHBondContact O-N 3.16Å; E203-A207 VanDerWaalsContact O-CB 3.29Å; E203-A207 WeakPolarHBondContact O-CB 3.48Å; E203-A207 PolarHBondContact O-N 2.93Å
204I90.9Very high91.1Very high85 Ų8558.3 Ų58.344%0.43631%0.311SS..Hα-helixtrans-59.8-43.3171.7-67.2164.4000110.6L87 T200 I201 L202 L208L87-I204 HydrophobicContact CD1-CB 4.22Å; L87-I204 HydrophobicContact CD1-CG1 3.63Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.3Å; T200-I204 PolarHBondContact O-N 3.12Å; I201-I204 PolarHBondContact O-N 3.43Å; L202-I204 PolarHBondContact O-N 3.03Å; I204-L208 PolarHBondContact O-N 3.12Å
205A91.5Very high90.9Very high44 Ų4454.8 Ų54.836%0.36429%0.29SS..Hα-helixtrans-65.4-45.4177.300000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 3.45Å; I201-A205 VanDerWaalsContact O-N 3.16Å; L202-A205 WeakPolarHBondContact O-CB 3.38Å; L202-A205 PolarHBondContact O-N 3.48Å; L202-A205 VanDerWaalsContact O-N 3.12Å; E203-A205 VanDerWaalsContact C-N 3.31Å; E203-A205 PolarHBondContact O-N 2.89Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.04Å; A205-L208 PolarHBondContact O-N 3.23Å; A205-I209 WeakPolarHBondContact O-CB 3.49Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.44Å; A205-I209 PolarHBondContact O-N 2.92Å
206V91.4Very high90.5Very high40 Ų4053.3 Ų53.324%0.24228%0.282CS..Hα-helixtrans-61.6-42.2178172.80000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.07Å; L202-V206 HydrophobicContact CD1-CG2 4.31Å; L202-V206 HydrophobicContact CG-CG2 4.32Å; L202-V206 WeakPolarHBondContact O-CG2 3.48Å; L202-V206 PolarHBondContact O-N 3.33Å; E203-V206 PolarHBondContact O-N 3.16Å; V206-L208 VanDerWaalsContact C-N 3.31Å; V206-L208 PolarHBondContact O-N 3.09Å; V206-I209 PolarHBondContact O-N 2.65Å; V206-Q210 WeakPolarHBondContact O-CB 3.41Å; V206-Q210 PolarHBondContact O-N 2.78Å
207A88.8Confident90.1Very high4 Ų453.6 Ų53.63%0.03328%0.284CS..Hα-helixtrans-57.7-41.5178.200000112.9N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.92Å; N83-A207 PolarHBondContact ND2-O 2.84Å; L87-A207 HydrophobicContact CD1-CB 4.07Å; E203-A207 VanDerWaalsContact O-CB 3.29Å; E203-A207 WeakPolarHBondContact O-CB 3.48Å; E203-A207 PolarHBondContact O-N 2.93Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.04Å; A207-A211 PolarHBondContact O-N 2.91Å
208L88.6Confident89.7Confident111 Ų11150.1 Ų50.158%0.58127%0.267SS*.Hα-helixtrans-75.5-45.3178.9-168151.3000111.8I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 3.12Å; A205-L208 PolarHBondContact O-N 3.23Å; V206-L208 VanDerWaalsContact C-N 3.31Å; V206-L208 PolarHBondContact O-N 3.09Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.4Å; L208-A211 PolarHBondContact O-N 3.39Å; L208-Y212 PolarHBondContact O-N 2.95Å
209I90.5Very high89.3Confident98 Ų9844.8 Ų44.850%0.50324%0.239SC..Hα-helixtrans-60.6-40.3178.1-68.9167.2000110.4A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.49Å; A205-I209 VanDerWaalsContact O-CG1 3.27Å; A205-I209 WeakPolarHBondContact O-CG1 3.44Å; A205-I209 PolarHBondContact O-N 2.92Å; V206-I209 PolarHBondContact O-N 2.65Å; I209-A211 PolarHBondContact O-N 3.39Å; I209-Y212 WeakPolarHBondContact O-CB 3.41Å; I209-Y212 PolarHBondContact O-N 3.23Å; I209-V213 HydrophobicContact CG2-CG2 4.01Å; I209-V213 WeakPolarHBondContact O-CG2 3.47Å; I209-V213 PolarHBondContact O-N 3.44Å
210Q88.6Confident88.8Confident12 Ų1247.3 Ų47.36%0.05625%0.252CS..Hα-helixtrans-66-38.6-177.9-174.9647.300112.3R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.32Å; R159-Q210 VanDerWaalsContact CG-NE2 3.32Å; L160-Q210 VanDerWaalsContact CA-NE2 3.29Å; L160-Q210 HydrophobicContact CB-CG 4.26Å; L160-Q210 HydrophobicContact CD1-CB 4.39Å; L160-Q210 HydrophobicContact CD1-CG 3.43Å; L160-Q210 VanDerWaalsContact CD1-CG 3.43Å; L160-Q210 HydrophobicContact CG-CG 4.44Å; V206-Q210 WeakPolarHBondContact O-CB 3.41Å; V206-Q210 PolarHBondContact O-N 2.78Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.4Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Q210-F214 VanDerWaalsContact O-CB 3.32Å; Q210-F214 WeakPolarHBondContact O-CB 3.28Å; Q210-F214 PolarHBondContact O-N 3.39Å
211A89.1Confident88.2Confident1 Ų147.1 Ų47.11%0.00825%0.246CC..Hα-helixtrans-62.5-41.417300000111.6I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.46Å; I79-A211 HydrophobicContact CB-CB 4.06Å; I79-A211 HydrophobicContact CG2-CB 3.78Å; A80-A211 HydrophobicContact CB-CB 3.94Å; A207-A211 PolarHBondContact O-N 2.91Å; L208-A211 PolarHBondContact O-N 3.39Å; I209-A211 PolarHBondContact O-N 3.39Å; A211-T215 WeakPolarHBondContact O-CG2 3.46Å; A211-T215 PolarHBondContact O-N 3.32Å; A211-T215 PolarHBondContact O-OG1 2.85Å
212Y89.5Confident87.6Confident100 Ų10042.3 Ų42.339%0.39222%0.222SC..Hα-helixtrans-65.2-49.3176.5177.2-100.8000112.5I76 L208 I209 Q210 F214 T215 L216I76-Y212 HydrophobicContact CD1-CD2 4.18Å; L208-Y212 PolarHBondContact O-N 2.95Å; I209-Y212 WeakPolarHBondContact O-CB 3.41Å; I209-Y212 PolarHBondContact O-N 3.23Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Y212-F214 VanDerWaalsContact C-N 3.31Å; Y212-F214 PolarHBondContact O-N 3.47Å; Y212-T215 PolarHBondContact O-N 3.32Å; Y212-T215 PolarHBondContact O-OG1 3.42Å; Y212-L216 HydrophobicContact CE1-CD1 3.65Å; Y212-L216 HydrophobicContact CE2-CD1 4.47Å; Y212-L216 VanDerWaalsContact O-CB 3.28Å; Y212-L216 WeakPolarHBondContact O-CB 3.43Å; Y212-L216 PolarHBondContact O-N 3.48Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.36Å
213V89.5Confident87.1Confident42 Ų4241.4 Ų41.426%0.25521%0.214SC..Hα-helixtrans-63.2-39.1-179.9172.60000111.3I209 L217I209-V213 HydrophobicContact CG2-CG2 4.01Å; I209-V213 WeakPolarHBondContact O-CG2 3.47Å; I209-V213 PolarHBondContact O-N 3.44Å; V213-L217 HydrophobicContact CG1-CD1 3.96Å; V213-L217 HydrophobicContact CG1-CG 4.43Å; V213-L217 WeakPolarHBondContact O-CB 3.34Å; V213-L217 WeakPolarHBondContact O-CG 3.19Å; V213-L217 PolarHBondContact O-N 3.36Å
214F86.3Confident86.5Confident6 Ų644 Ų443%0.02623%0.229CC..Hα-helixtrans-59.9-50177.2-175.3-92.2000111.5L75 I79 A105 L108 R156 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.17Å; L75-F214 HydrophobicContact CD2-CD1 3.92Å; L75-F214 HydrophobicContact CD2-CE1 3.79Å; L75-F214 HydrophobicContact CG-CD1 4.4Å; L75-F214 HydrophobicContact CG-CE1 4.25Å; I79-F214 HydrophobicContact CD1-CB 4.48Å; I79-F214 HydrophobicContact CD1-CD1 3.31Å; I79-F214 HydrophobicContact CD1-CE1 3.66Å; I79-F214 HydrophobicContact CD1-CG 4Å; A105-F214 HydrophobicContact CB-CE2 4.17Å; A105-F214 HydrophobicContact CB-CZ 4.1Å; L108-F214 HydrophobicContact CD1-CE1 4.04Å; L108-F214 HydrophobicContact CD1-CZ 4.39Å; R156-F214 HydrophobicContact CB-CD2 3.95Å; R156-F214 HydrophobicContact CB-CE2 3.85Å; Q210-F214 VanDerWaalsContact O-CB 3.32Å; Q210-F214 WeakPolarHBondContact O-CB 3.28Å; Q210-F214 PolarHBondContact O-N 3.39Å; Y212-F214 VanDerWaalsContact C-N 3.31Å; Y212-F214 PolarHBondContact O-N 3.47Å; F214-L217 PolarHBondContact O-N 3.08Å; F214-V218 HydrophobicContact CE1-CG2 4.37Å; F214-V218 WeakPolarHBondContact O-CG2 3.44Å; F214-V218 PolarHBondContact O-N 3.46Å
215T88Confident85.6Confident0 Ų041.5 Ų41.50%022%0.217CC..Hα-helixtrans-70.7-38.4-178.553.10000112.6M57 L75 I76 A211 Y212 L217 V218 S219M57-T215 VanDerWaalsContact CE-OG1 3.22Å; M57-T215 WeakPolarHBondContact CE-OG1 3.42Å; L75-T215 HydrophobicContact CB-CG2 4.17Å; L75-T215 HydrophobicContact CD2-CG2 3.51Å; L75-T215 HydrophobicContact CG-CG2 3.82Å; I76-T215 HydrophobicContact CB-CG2 3.52Å; I76-T215 HydrophobicContact CG1-CG2 4.16Å; A211-T215 WeakPolarHBondContact O-CG2 3.46Å; A211-T215 PolarHBondContact O-N 3.32Å; A211-T215 PolarHBondContact O-OG1 2.85Å; Y212-T215 PolarHBondContact O-N 3.32Å; Y212-T215 PolarHBondContact O-OG1 3.42Å; T215-L217 PolarHBondContact O-N 3.23Å; T215-V218 PolarHBondContact O-N 3.48Å; T215-S219 WeakPolarHBondContact O-CB 3.39Å; T215-S219 PolarHBondContact O-N 2.79Å
216L87.2Confident84.5Confident54 Ų5440.7 Ų40.728%0.28321%0.207SC..Hα-helixtrans-60-44.9174.8-174.9149.1000111.6Y212 V218 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.65Å; Y212-L216 HydrophobicContact CE2-CD1 4.47Å; Y212-L216 VanDerWaalsContact O-CB 3.28Å; Y212-L216 WeakPolarHBondContact O-CB 3.43Å; Y212-L216 PolarHBondContact O-N 3.48Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.36Å; L216-V218 VanDerWaalsContact C-N 3.31Å; L216-V218 PolarHBondContact O-N 2.97Å; L216-S219 WeakPolarHBondContact O-CB 3.4Å; L216-S219 PolarHBondContact O-N 3.41Å; L216-S219 VanDerWaalsContact O-N 3.12Å; L216-S219 PolarHBondContact O-OG 3.24Å; L216-L220 PolarHBondContact O-N 3Å
217L85.1Confident84.2Confident37 Ų3740.8 Ų40.819%0.19421%0.205CC..Hα-helixtrans-66.4-32177.5-73170.5000112.3R156 V213 F214 T215 Y221R156-L217 HydrophobicContact CG-CD1 4.21Å; R156-L217 PolarHBondContact NH1-O 3.34Å; R156-L217 PolarHBondContact NH2-O 2.98Å; V213-L217 HydrophobicContact CG1-CD1 3.96Å; V213-L217 HydrophobicContact CG1-CG 4.43Å; V213-L217 WeakPolarHBondContact O-CB 3.34Å; V213-L217 WeakPolarHBondContact O-CG 3.19Å; V213-L217 PolarHBondContact O-N 3.36Å; F214-L217 PolarHBondContact O-N 3.08Å; T215-L217 PolarHBondContact O-N 3.23Å; L217-Y221 WeakPolarHBondContact O-CD2 3.48Å; L217-Y221 PolarHBondContact O-N 2.99Å
218V84.5Confident83.9Confident6 Ų642.7 Ų42.74%0.03621%0.214CC..Hα-helixtrans-67-42.3171.3176.90000110.1L72 R156 F214 T215 L216 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.17Å; L72-V218 HydrophobicContact CD2-CG1 3.83Å; R156-V218 VanDerWaalsContact NH1-CA 3.35Å; R156-V218 VanDerWaalsContact NH1-CG2 3.29Å; R156-V218 VanDerWaalsContact NH1-N 3.13Å; F214-V218 HydrophobicContact CE1-CG2 4.37Å; F214-V218 WeakPolarHBondContact O-CG2 3.44Å; F214-V218 PolarHBondContact O-N 3.46Å; T215-V218 PolarHBondContact O-N 3.48Å; L216-V218 VanDerWaalsContact C-N 3.31Å; L216-V218 PolarHBondContact O-N 2.97Å; V218-Y221 PolarHBondContact O-N 3.3Å; V218-L222 PolarHBondContact O-N 3.12Å
219S85.4Confident83.7Confident8 Ų838.9 Ų38.96%0.05619%0.194CC..Hα-helixtrans-64.3-43.5179.885.10000112.2H61 T215 L216 Y221 L222 H223H61-S219 PolarHBondContact NE2-O 3.19Å; T215-S219 WeakPolarHBondContact O-CB 3.39Å; T215-S219 PolarHBondContact O-N 2.79Å; L216-S219 WeakPolarHBondContact O-CB 3.4Å; L216-S219 PolarHBondContact O-N 3.41Å; L216-S219 VanDerWaalsContact O-N 3.12Å; L216-S219 PolarHBondContact O-OG 3.24Å; S219-Y221 VanDerWaalsContact C-N 3.27Å; S219-Y221 PolarHBondContact O-N 3.15Å; S219-L222 WeakPolarHBondContact O-CB 3.32Å; S219-L222 PolarHBondContact O-N 2.81Å; S219-L222 VanDerWaalsContact O-N 3.08Å; S219-H223 PolarHBondContact O-N 3.32Å
220L83.4Confident83.3Confident78 Ų7835.4 Ų35.441%0.40818%0.176SC..Hα-helixtrans-61.2-38.8177-172.3148.3000111.2L216 L222 H223 D224L216-L220 PolarHBondContact O-N 3Å; L220-L222 VanDerWaalsContact C-N 3.32Å; L220-L222 PolarHBondContact O-N 3.41Å; L220-H223 WeakPolarHBondContact O-CB 3.48Å; L220-H223 PolarHBondContact O-N 3.09Å; L220-H223 VanDerWaalsContact O-N 3.15Å; L220-D224 VanDerWaalsContact CD2-OD2 3.25Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.28Å; L220-D224 PolarHBondContact O-N 3.06Å
221Y78.8Confident82.9Confident47 Ų4736.9 Ų36.918%0.18418%0.183CC..Hα-helixtrans-67.6-36.1176.6-88.4-107.2000112.4Q152 L217 V218 S219 H223 N225Q152-Y221 VanDerWaalsContact CD-CE2 3.43Å; Q152-Y221 PolarHBondContact NE2-OH 3.38Å; Q152-Y221 PolarHBondContact OE1-OH 3Å; L217-Y221 WeakPolarHBondContact O-CD2 3.48Å; L217-Y221 PolarHBondContact O-N 2.99Å; V218-Y221 PolarHBondContact O-N 3.3Å; S219-Y221 VanDerWaalsContact C-N 3.27Å; S219-Y221 PolarHBondContact O-N 3.15Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; Y221-N225 WeakPolarHBondContact O-CB 3.36Å; Y221-N225 PolarHBondContact O-N 3.12Å; Y221-N225 VanDerWaalsContact O-N 3.16Å; Y221-N225 PolarHBondContact O-ND2 3.42Å
222L80.8Confident82.5Confident2 Ų239.3 Ų39.31%0.0120%0.195CC..Hα-helixtrans-65.7-39.8173.1-167.575.7000110.7W68 M115 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.44Å; W68-L222 VanDerWaalsContact CB-CD2 3.44Å; W68-L222 HydrophobicContact CD2-CD1 3.78Å; W68-L222 HydrophobicContact CD2-CD2 4.12Å; W68-L222 HydrophobicContact CE3-CD1 4.11Å; W68-L222 HydrophobicContact CG-CD1 4Å; W68-L222 HydrophobicContact CG-CD2 3.56Å; W68-L222 HydrophobicContact CG-CG 4.45Å; M115-L222 HydrophobicContact SD-CD1 4.23Å; V218-L222 PolarHBondContact O-N 3.12Å; S219-L222 WeakPolarHBondContact O-CB 3.32Å; S219-L222 PolarHBondContact O-N 2.81Å; S219-L222 VanDerWaalsContact O-N 3.08Å; L220-L222 VanDerWaalsContact C-N 3.32Å; L220-L222 PolarHBondContact O-N 3.41Å; L222-N225 PolarHBondContact O-N 3.27Å; L222-T226 HydrophobicContact CD1-CG2 4.41Å; L222-T226 HydrophobicContact CG-CG2 4.24Å; L222-T226 WeakPolarHBondContact O-CB 3.42Å; L222-T226 VanDerWaalsContact O-CG2 3.22Å; L222-T226 WeakPolarHBondContact O-CG2 3.4Å; L222-T226 PolarHBondContact O-N 3.35Å; L222-T226 PolarHBondContact O-OG1 2.89Å
223H80.9Confident82Confident81 Ų8134.9 Ų34.938%0.37518%0.181SC..Hα-helixtrans-59.6-50.8175.1-175.884.8000111.8M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.32Å; M60-H223 PolarHBondContact O-ND1 3.26Å; S219-H223 PolarHBondContact O-N 3.32Å; L220-H223 WeakPolarHBondContact O-CB 3.48Å; L220-H223 PolarHBondContact O-N 3.09Å; L220-H223 VanDerWaalsContact O-N 3.15Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; H223-N225 PolarHBondContact O-N 3.46Å; H223-T226 PolarHBondContact O-N 3.5Å; H223-T226 PolarHBondContact O-OG1 3.31Å
224D77.1Confident81.5Confident69 Ų6934.4 Ų34.437%0.36918%0.175SC..Hα-helixtrans-62-30.8-179.6-64.2-16.4000112.7L220L220-D224 VanDerWaalsContact CD2-OD2 3.25Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.28Å; L220-D224 PolarHBondContact O-N 3.06Å
225N73.3Confident81.1Confident32 Ų3236.8 Ų36.817%0.17119%0.188CC..Hα-helixtrans-93-1.3-178.9-74-66.2000114.5G116 S119 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.31Å; G116-N225 WeakPolarHBondContact CA-O 3.29Å; S119-N225 PolarHBondContact OG-O 3.48Å; Y221-N225 WeakPolarHBondContact O-CB 3.36Å; Y221-N225 PolarHBondContact O-N 3.12Å; Y221-N225 VanDerWaalsContact O-N 3.16Å; Y221-N225 PolarHBondContact O-ND2 3.42Å; L222-N225 PolarHBondContact O-N 3.27Å; H223-N225 PolarHBondContact O-N 3.46Å
226T68.4Low80.4Confident27 Ų2740.1 Ų40.117%0.16621%0.205CC..  trans-107.30-179.550.20000114.2M115 K120 L222 H223M115-T226 HydrophobicContact CE-CG2 4.34Å; K120-T226 WeakPolarHBondContact CE-O 3.48Å; K120-T226 PolarHBondContact NZ-O 2.97Å; K120-T226 PolarHBondContact NZ-OXT 3.18Å; L222-T226 HydrophobicContact CD1-CG2 4.41Å; L222-T226 HydrophobicContact CG-CG2 4.24Å; L222-T226 WeakPolarHBondContact O-CB 3.42Å; L222-T226 VanDerWaalsContact O-CG2 3.22Å; L222-T226 WeakPolarHBondContact O-CG2 3.4Å; L222-T226 PolarHBondContact O-N 3.35Å; L222-T226 PolarHBondContact O-OG1 2.89Å; H223-T226 PolarHBondContact O-N 3.5Å; H223-T226 PolarHBondContact O-OG1 3.31Å

Retrieved 226 of 226 residues in 45.1 ms (Link to these results)