A0A068C9R9_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A068C9R9, 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
1M44.7Very low71.7Confident225 Ų225102.2 Ų102.2100%1.10855%0.55SS**  0123.50-71.2160.589.900106E3M1-E3 VanDerWaalsContact C-N 3.27Å; M1-E3 PolarHBondContact O-N 3.34Å
2N49.4Very low72.6Confident162 Ų16296.8 Ų96.887%0.86653%0.525SS*.  trans-65.996.6168.9-10012.9000106.1N4N2-N4 PolarHBondContact O-N 3.42Å
3E59.2Low73.6Confident123 Ų12397.1 Ų97.158%0.57553%0.532SS*.  trans-63.3123.7170.6-66.3-134.6154.300107.3M1 L5 H172M1-E3 VanDerWaalsContact C-N 3.27Å; M1-E3 PolarHBondContact O-N 3.34Å; E3-L5 PolarHBondContact O-N 3.37Å; E3-H172 IonicContact OE2-CE1 3.81Å
4N75Confident74.5Confident130 Ų13098 Ų9870%0.69553%0.534SS*.  trans-74.171.9178.4-70.9-28.4000109N2 F6 A7N2-N4 PolarHBondContact O-N 3.42Å; N4-F6 PolarHBondContact O-N 3.3Å; N4-A7 HydrophobicContact CB-CB 3.89Å; N4-A7 VanDerWaalsContact O-CB 3.26Å; N4-A7 WeakPolarHBondContact O-CB 3.4Å; N4-A7 PolarHBondContact O-N 2.94Å
5L75.1Confident75.1Confident43 Ų43103.1 Ų103.123%0.22556%0.559CS.*THydrogen-bonded Turntrans-53.3-27.9175.8-63.5175.7000111.8E3 L169 H172 L173E3-L5 PolarHBondContact O-N 3.37Å; L5-L169 HydrophobicContact CB-CD2 4.27Å; L5-H172 VanDerWaalsContact CD2-CE1 3.41Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.37Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.09Å; L5-L173 HydrophobicContact CD1-CD2 3.9Å; L5-L173 HydrophobicContact CD2-CD2 4.42Å
6F80.9Confident75.6Confident135 Ų135101 Ų10159%0.59257%0.569SS**THydrogen-bonded Turntrans-89.6-4.5-179.3-63.8-77.5000114.8N4 S8 F9 L169N4-F6 PolarHBondContact O-N 3.3Å; F6-S8 PolarHBondContact O-N 3.04Å; F6-F9 HydrophobicContact CB-CD2 4.49Å; F6-F9 AromaticContact CD1-CD2 3.9Å; F6-F9 HydrophobicContact CD1-CD2 3.9Å; F6-F9 HydrophobicContact CD1-CE2 4.27Å; F6-F9 PolarHBondContact O-N 3.4Å; F6-L169 HydrophobicContact CD1-CD2 4.48Å; F6-L169 HydrophobicContact CE1-CD1 4.09Å; F6-L169 HydrophobicContact CE1-CD2 4.12Å; F6-L169 HydrophobicContact CZ-CD2 4.46Å
7A78.5Confident76Confident53 Ų53102.5 Ų102.544%0.43858%0.575SS.*G310 helixtrans-60-33.1-178.500000112.5N4 F9 I10N4-A7 HydrophobicContact CB-CB 3.89Å; N4-A7 VanDerWaalsContact O-CB 3.26Å; N4-A7 WeakPolarHBondContact O-CB 3.4Å; N4-A7 PolarHBondContact O-N 2.94Å; A7-F9 PolarHBondContact O-N 3.37Å; A7-I10 PolarHBondContact O-N 3.47Å
8S78.4Confident76.5Confident59 Ų59101.1 Ų101.141%0.41357%0.571SS.*G310 helixtrans-67.4-20.9177.255.90000113.9F6 F92F6-S8 PolarHBondContact O-N 3.04Å; S8-F92 WeakPolarHBondContact O-CD2 3.37Å
9F81.6Confident76.9Confident22 Ų2296.7 Ų96.710%0.09655%0.549CS..G310 helixtrans-92.8-9.4178.4-58.3-68.6000113.1F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 HydrophobicContact CB-CD2 4.49Å; F6-F9 AromaticContact CD1-CD2 3.9Å; F6-F9 HydrophobicContact CD1-CD2 3.9Å; F6-F9 HydrophobicContact CD1-CE2 4.27Å; F6-F9 PolarHBondContact O-N 3.4Å; A7-F9 PolarHBondContact O-N 3.37Å; F9-A11 PolarHBondContact O-N 2.95Å; F9-T96 HydrophobicContact CD1-CG2 3.86Å; F9-T96 HydrophobicContact CE1-CG2 3.72Å; F9-Q97 PolarHBondContact O-NE2 3.11Å; F9-T165 HydrophobicContact CD1-CG2 4.38Å; F9-T165 HydrophobicContact CE1-CG2 4.05Å; F9-H168 HydrophobicContact CE1-CB 4.16Å; F9-H168 HydrophobicContact CZ-CB 3.88Å; F9-L169 HydrophobicContact CE2-CD1 4.42Å; F9-L169 HydrophobicContact CE2-CD2 3.72Å; F9-L169 HydrophobicContact CE2-CG 3.79Å; F9-L169 HydrophobicContact CZ-CD2 4.36Å; F9-L169 HydrophobicContact CZ-CG 3.96Å
10I83.7Confident77.3Confident121 Ų12192.9 Ų92.962%0.62153%0.529SS*.SBendtrans-70.1128.7178.3-59.7174000108.4A7 P12A7-I10 PolarHBondContact O-N 3.47Å; I10-P12 WeakPolarHBondContact O-CD 3.47Å
11A82.4Confident77.6Confident51 Ų5192.3 Ų92.342%0.42153%0.527SS..PPolyproline II helixtrans-57.7121.2179.900000110.2F9 T13 F92F9-A11 PolarHBondContact O-N 2.95Å; A11-T13 PolarHBondContact O-N 3.02Å; A11-F92 HydrophobicContact CB-CZ 4.49Å
12P82.4Confident79.6Confident38 Ų3887.7 Ų87.725%0.24751%0.507CS..PPolyproline II helixtrans-70.7126.2-174.426.7-33.2000109.9I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.47Å; P12-A19 HydrophobicContact CB-CB 4.23Å; P12-A19 HydrophobicContact CG-CB 4.34Å; P12-A19 WeakPolarHBondContact O-CB 3.35Å; P12-A19 PolarHBondContact O-N 3.46Å; P12-I23 HydrophobicContact CG-CD1 3.61Å; P12-F92 HydrophobicContact CG-CB 4.36Å; P12-F92 HydrophobicContact CG-CD1 4.12Å; P12-F92 HydrophobicContact CG-CD2 4.49Å; P12-F92 HydrophobicContact CG-CG 4.07Å
13T86Confident81.3Confident100 Ų10082.4 Ų82.461%0.61348%0.478SS*.EExtended strand (participates in β ladder)trans-117.5124.9170.552.90000108.5A11 L17A11-T13 PolarHBondContact O-N 3.02Å; T13-L17 CarbonylContact C-O 3.57Å; T13-L17 VanDerWaalsContact CA-O 3.26Å; T13-L17 WeakPolarHBondContact CA-O 3.45Å
14I85.8Confident82.7Confident110 Ų11078.9 Ų78.956%0.56446%0.462SS*.EExtended strand (participates in β ladder)trans-111.2122.8176.1-63172.5000106.3G16 L17 A19I14-G16 PolarHBondContact O-N 3.46Å; I14-G16 VanDerWaalsContact O-N 3.12Å; I14-L17 PolarHBondContact N-O 2.97Å; I14-L17 PolarHBondContact O-N 3.16Å; I14-A19 HydrophobicContact CB-CB 4.46Å; I14-A19 HydrophobicContact CD1-CB 3.83Å; I14-A19 HydrophobicContact CG1-CB 3.91Å
15L84.1Confident83.2Confident174 Ų17477.9 Ų77.991%0.91146%0.456SS*.THydrogen-bonded Turntrans54.730.4179.6-71.5148.8000113.7L17L15-L17 VanDerWaalsContact C-N 3.28Å; L15-L17 PolarHBondContact O-N 3.1Å
16G82.5Confident83.8Confident70 Ų7081 Ų8172%0.72247%0.468SS*.THydrogen-bonded Turntrans80.6-2.2-176.900000115.2I14I14-G16 PolarHBondContact O-N 3.46Å; I14-G16 VanDerWaalsContact O-N 3.12Å
17L82.9Confident84.1Confident126 Ų12674.7 Ų74.766%0.6644%0.441SS*.EExtended strand (participates in β ladder)trans-93.1140.5173.3-67.3167.3000111T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.57Å; T13-L17 VanDerWaalsContact CA-O 3.26Å; T13-L17 WeakPolarHBondContact CA-O 3.45Å; I14-L17 PolarHBondContact N-O 2.97Å; I14-L17 PolarHBondContact O-N 3.16Å; L15-L17 VanDerWaalsContact C-N 3.28Å; L15-L17 PolarHBondContact O-N 3.1Å; L17-A19 PolarHBondContact O-N 3.02Å
18P84.4Confident84.3Confident78 Ų7875.6 Ų75.651%0.50644%0.442SS..EExtended strand (participates in β ladder)trans-71.4100.317829.1-33.3000110.6A20 V21P18-A20 PolarHBondContact O-N 3.07Å; P18-V21 HydrophobicContact CB-CG2 4.46Å; P18-V21 HydrophobicContact CG-CG2 4.22Å; P18-V21 PolarHBondContact O-N 3.27Å
19A84.4Confident84.7Confident18 Ų1879.6 Ų79.615%0.14946%0.458CS..THydrogen-bonded Turntrans-68-16.4176.600000112.4P12 I14 L17 V21 L22 I23P12-A19 HydrophobicContact CB-CB 4.23Å; P12-A19 HydrophobicContact CG-CB 4.34Å; P12-A19 WeakPolarHBondContact O-CB 3.35Å; P12-A19 PolarHBondContact O-N 3.46Å; I14-A19 HydrophobicContact CB-CB 4.46Å; I14-A19 HydrophobicContact CD1-CB 3.83Å; I14-A19 HydrophobicContact CG1-CB 3.91Å; L17-A19 PolarHBondContact O-N 3.02Å; A19-V21 PolarHBondContact O-N 2.85Å; A19-L22 PolarHBondContact O-N 2.93Å; A19-L22 VanDerWaalsContact O-N 3.11Å; A19-I23 PolarHBondContact O-N 2.96Å
20A84.5Confident84.9Confident19 Ų1981 Ų8116%0.15747%0.471CS..Hα-helixtrans-53.1-33.8172.500000113.2P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 3.07Å; A20-L22 PolarHBondContact O-N 3.47Å; A20-I23 PolarHBondContact O-N 3.29Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.46Å; A20-I24 PolarHBondContact O-N 3.45Å; A20-F92 HydrophobicContact CB-CE1 4.36Å
21V84.6Confident85.1Confident82 Ų8277.8 Ų77.850%0.49746%0.455SS..Hα-helixtrans-63.8-42.11791800000111.2P18 A19 I23 I24 L25P18-V21 HydrophobicContact CB-CG2 4.46Å; P18-V21 HydrophobicContact CG-CG2 4.22Å; P18-V21 PolarHBondContact O-N 3.27Å; A19-V21 PolarHBondContact O-N 2.85Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3Å; V21-I24 PolarHBondContact O-N 3.49Å; V21-L25 HydrophobicContact CG1-CD1 4.1Å; V21-L25 WeakPolarHBondContact O-CG 3.12Å; V21-L25 PolarHBondContact O-N 3.3Å
22L85.3Confident85.3Confident128 Ų12878.2 Ų78.267%0.6745%0.453SS*.Hα-helixtrans-65.8-38.4179-168.2147.2000111.1A19 A20 L25 F26A19-L22 PolarHBondContact O-N 2.93Å; A19-L22 VanDerWaalsContact O-N 3.11Å; A20-L22 PolarHBondContact O-N 3.47Å; L22-L25 PolarHBondContact O-N 3.09Å; L22-F26 PolarHBondContact O-N 3.2Å
23I86.3Confident85.5Confident51 Ų5182.8 Ų82.826%0.26248%0.48SS..Hα-helixtrans-66.5-41.3177.2-61.5162.8000110.9P12 A19 A20 V21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.61Å; A19-I23 PolarHBondContact O-N 2.96Å; A20-I23 PolarHBondContact O-N 3.29Å; V21-I23 VanDerWaalsContact C-N 3.31Å; V21-I23 PolarHBondContact O-N 3Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 2.88Å; I23-F26 WeakPolarHBondContact O-CB 3.32Å; I23-F26 PolarHBondContact O-N 3.29Å; I23-P27 WeakPolarHBondContact O-CD 3.45Å; I23-F92 HydrophobicContact CD1-CB 4.08Å; I23-F92 HydrophobicContact CD1-CD1 3.95Å; I23-F92 HydrophobicContact CD1-CG 4.39Å; I23-F92 HydrophobicContact CG2-CD1 4.47Å; I23-F92 WeakPolarHBondContact CG2-O 2.94Å
24I87.1Confident85.5Confident48 Ų4879.9 Ų79.925%0.24646%0.464CS..Hα-helixtrans-65.4-31.7176.4-68.5164.2000111.8A20 V21 P27 F78 P94 M100A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 3.46Å; A20-I24 PolarHBondContact O-N 3.45Å; V21-I24 PolarHBondContact O-N 3.49Å; I24-P27 WeakPolarHBondContact O-CD 3.43Å; I24-F78 HydrophobicContact CG2-CZ 4.33Å; I24-P94 HydrophobicContact CD1-CB 4.23Å; I24-P94 HydrophobicContact CG1-CB 3.67Å; I24-P94 HydrophobicContact CG1-CG 4.03Å; I24-M100 HydrophobicContact CD1-CE 4.41Å; I24-M100 HydrophobicContact CD1-SD 4.22Å; I24-M100 HydrophobicContact CG2-CE 4.05Å
25L86.4Confident85.5Confident110 Ų11084.9 Ų84.958%0.57648%0.481SS*.Hα-helixtrans-80.6-12.3177.6-71.9170.8000113.9V21 L22 I23 P28V21-L25 HydrophobicContact CG1-CD1 4.1Å; V21-L25 WeakPolarHBondContact O-CG 3.12Å; V21-L25 PolarHBondContact O-N 3.3Å; L22-L25 PolarHBondContact O-N 3.09Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 2.88Å; L25-P28 VanDerWaalsContact O-CD 3.26Å; L25-P28 WeakPolarHBondContact O-CD 3.25Å; L25-P28 VanDerWaalsContact O-CG 3.25Å; L25-P28 WeakPolarHBondContact O-CG 3.45Å
26F87.6Confident85.6Confident107 Ų10785.3 Ų85.347%0.46947%0.472SS..Hα-helixtrans-67.8-45.3-178.6-169.7-98.5000114.6L22 I23 L29 S30 L85L22-F26 PolarHBondContact O-N 3.2Å; I23-F26 WeakPolarHBondContact O-CB 3.32Å; I23-F26 PolarHBondContact O-N 3.29Å; F26-L29 WeakPolarHBondContact O-CB 3.45Å; F26-L29 PolarHBondContact O-N 3.4Å; F26-L29 VanDerWaalsContact O-N 3.11Å; F26-S30 PolarHBondContact O-N 3.15Å; F26-L85 HydrophobicContact CD1-CD1 3.96Å; F26-L85 HydrophobicContact CD1-CD2 3.84Å; F26-L85 HydrophobicContact CE1-CD1 4.4Å; F26-L85 HydrophobicContact CE1-CD2 3.59Å
27P87.2Confident85.5Confident4 Ų490.5 Ų90.53%0.02648%0.483CS..Hα-helixtrans-53.3-48.3177.9-15.517.3000115.4I23 I24 L29 S30 T81 T82 L85I23-P27 WeakPolarHBondContact O-CD 3.45Å; I24-P27 WeakPolarHBondContact O-CD 3.43Å; P27-L29 PolarHBondContact O-N 3.13Å; P27-S30 WeakPolarHBondContact O-CB 3.44Å; P27-S30 PolarHBondContact O-N 3.26Å; P27-S30 VanDerWaalsContact O-N 3.1Å; P27-S30 PolarHBondContact O-OG 3.07Å; P27-T81 WeakPolarHBondContact CB-OG1 3.23Å; P27-T82 HydrophobicContact CB-CG2 4.14Å; P27-T82 HydrophobicContact CG-CG2 3.41Å; P27-T82 VanDerWaalsContact CG-CG2 3.41Å; P27-L85 HydrophobicContact CB-CD1 4.09Å; P27-L85 HydrophobicContact CG-CD1 4.06Å
28P83.4Confident85.6Confident71 Ų7192 Ų9246%0.46149%0.489SS..Hα-helixtrans-64.9-28.9178.522.9-31.9000112.9L25 S30 I31L25-P28 VanDerWaalsContact O-CD 3.26Å; L25-P28 WeakPolarHBondContact O-CD 3.25Å; L25-P28 VanDerWaalsContact O-CG 3.25Å; L25-P28 WeakPolarHBondContact O-CG 3.45Å; P28-S30 VanDerWaalsContact C-N 3.27Å; P28-S30 PolarHBondContact O-N 3.27Å; P28-I31 PolarHBondContact O-N 3.43Å
29L86.8Confident85.8Confident143 Ų14389.3 Ų89.375%0.74947%0.471SS*.Hα-helixtrans-69.2-26.5175.6-159.475.1000112.5F26 P27 I31F26-L29 WeakPolarHBondContact O-CB 3.45Å; F26-L29 PolarHBondContact O-N 3.4Å; F26-L29 VanDerWaalsContact O-N 3.11Å; P27-L29 PolarHBondContact O-N 3.13Å; L29-I31 PolarHBondContact O-N 3.31Å
30S85.9Confident86Confident51 Ų5193.5 Ų93.536%0.35749%0.491SS..THydrogen-bonded Turntrans-72.3-7.2179.976.60000114.5F26 P27 P28 P32F26-S30 PolarHBondContact O-N 3.15Å; P27-S30 WeakPolarHBondContact O-CB 3.44Å; P27-S30 PolarHBondContact O-N 3.26Å; P27-S30 VanDerWaalsContact O-N 3.1Å; P27-S30 PolarHBondContact O-OG 3.07Å; P28-S30 VanDerWaalsContact C-N 3.27Å; P28-S30 PolarHBondContact O-N 3.27Å; S30-P32 WeakPolarHBondContact O-CD 3.25Å
31I87.5Confident86.3Confident55 Ų55102.6 Ų102.628%0.28252%0.521SS..SBendtrans-105.191.2-177.3-56.2163.2000108.8P28 L29 I77P28-I31 PolarHBondContact O-N 3.43Å; L29-I31 PolarHBondContact O-N 3.31Å; I31-I77 HydrophobicContact CD1-CG2 3.4Å
32P86.2Confident86.5Confident60 Ų60104 Ų10439%0.3953%0.525SS..  trans-69.2134.3179.527.4-34.8000111.6S30 I43S30-P32 WeakPolarHBondContact O-CD 3.25Å; P32-I43 HydrophobicContact CB-CD1 4.37Å; P32-I43 HydrophobicContact CB-CG1 4.36Å; P32-I43 HydrophobicContact CG-CD1 4.48Å; P32-I43 HydrophobicContact CG-CG1 3.98Å
33T86.4Confident86.8Confident134 Ų13498.7 Ų98.782%0.82250%0.498SS*.  trans-103.6136.5169.860.20000110.3
34S87.1Confident87Confident38 Ų3899.2 Ų99.227%0.26650%0.503SS..  trans-118.9144.6172169.10000110.8Y36 N39S34-Y36 PolarHBondContact OG-N 3.46Å; S34-Y36 VanDerWaalsContact OG-N 3.14Å; S34-N39 WeakPolarHBondContact CB-OD1 3.42Å; S34-N39 PolarHBondContact OG-OD1 2.86Å
35K85.4Confident87.2Confident215 Ų215100.7 Ų100.794%0.93552%0.515SS*.  trans-85-13.9175.6-63.5-178.6-178.8178.10113
36Y86.3Confident87.4Confident184 Ų18498 Ų9872%0.72250%0.499SS*.SBendtrans-79.8153-175.1-60.5-73.6000112S34 N39S34-Y36 PolarHBondContact OG-N 3.46Å; S34-Y36 VanDerWaalsContact OG-N 3.14Å; Y36-N39 PolarHBondContact O-ND2 3.34Å; Y36-N39 PolarHBondContact O-OD1 2.85Å
37L78.9Confident87.5Confident179 Ų17997.6 Ų97.694%0.93750%0.499SS*.SBendtrans-71.3-39.3176.8-170.574.1000111.5
38I85.4Confident87.7Confident156 Ų156105.4 Ų105.480%0.853%0.528SS*.SBendtrans-100.5112.3174.5-58.4170000107.2
39N89.1Confident88Confident23 Ų23106.9 Ų106.912%0.12353%0.531CS..  trans-106.7167.4-174.6-76.9-18.2000112.6S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.42Å; S34-N39 PolarHBondContact OG-OD1 2.86Å; Y36-N39 PolarHBondContact O-ND2 3.34Å; Y36-N39 PolarHBondContact O-OD1 2.85Å; N39-I43 HydrophobicContact CB-CB 3.94Å; N39-I43 HydrophobicContact CB-CG2 3.82Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.37Å; N39-T44 HydrophobicContact CB-CG2 4.16Å; N39-Q47 PolarHBondContact ND2-NE2 2.82Å
40N89.6Confident88.2Confident106 Ų106103 Ų10357%0.56751%0.51SS*.  trans-62.7153.2172.5-165.50.5000111L42 I43 T44N40-L42 PolarHBondContact O-N 2.95Å; N40-L42 VanDerWaalsContact O-N 3.14Å; N40-I43 HydrophobicContact CB-CD1 4.45Å; N40-I43 PolarHBondContact O-N 3.15Å; N40-T44 PolarHBondContact O-N 3.15Å
41R89.4Confident88.5Confident210 Ų210107.9 Ų107.979%0.79253%0.525SS*.Hα-helixtrans-52.4-37.7-178.6-64.8-177-179.3-177.40.6113.1T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.46Å; R41-T44 PolarHBondContact O-N 2.97Å; R41-T44 PolarHBondContact O-OG1 3.37Å; R41-T45 WeakPolarHBondContact O-CG2 3.3Å; R41-T45 PolarHBondContact O-N 3.42Å; R41-T45 PolarHBondContact O-OG1 3.33Å
42L88.9Confident88.6Confident111 Ų111108.4 Ų108.458%0.58153%0.528SS*.Hα-helixtrans-65.5-41.2176.9-69.9172.4000112.4N40 T45 Q46N40-L42 PolarHBondContact O-N 2.95Å; N40-L42 VanDerWaalsContact O-N 3.14Å; L42-T45 PolarHBondContact O-OG1 2.99Å; L42-Q46 WeakPolarHBondContact O-CB 3.21Å; L42-Q46 WeakPolarHBondContact O-CG 3.39Å; L42-Q46 PolarHBondContact O-N 3.41Å
43I91.1Very high88.7Confident17 Ų17106.9 Ų106.99%0.08752%0.518CS..Hα-helixtrans-72.6-35.7-179.5-60.3172.9000109.8P32 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.37Å; P32-I43 HydrophobicContact CB-CG1 4.36Å; P32-I43 HydrophobicContact CG-CD1 4.48Å; P32-I43 HydrophobicContact CG-CG1 3.98Å; N39-I43 HydrophobicContact CB-CB 3.94Å; N39-I43 HydrophobicContact CB-CG2 3.82Å; N39-I43 WeakPolarHBondContact ND2-CG2 3.37Å; N40-I43 HydrophobicContact CB-CD1 4.45Å; N40-I43 PolarHBondContact O-N 3.15Å; I43-Q46 PolarHBondContact O-N 3.44Å; I43-Q47 HydrophobicContact CG2-CG 4.3Å; I43-Q47 WeakPolarHBondContact O-CB 3.35Å; I43-Q47 VanDerWaalsContact O-CG 3.23Å; I43-Q47 WeakPolarHBondContact O-CG 3.42Å; I43-Q47 PolarHBondContact O-N 3.33Å
44T91.1Very high88.8Confident62 Ų62102 Ų10238%0.3849%0.489SS..Hα-helixtrans-68-40.2176.9600000112.1N39 N40 R41 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.16Å; N40-T44 PolarHBondContact O-N 3.15Å; R41-T44 WeakPolarHBondContact CA-OG1 3.46Å; R41-T44 PolarHBondContact O-N 2.97Å; R41-T44 PolarHBondContact O-OG1 3.37Å; T44-Q47 PolarHBondContact O-N 3.15Å; T44-W48 WeakPolarHBondContact O-CB 3.2Å; T44-W48 PolarHBondContact O-N 3.28Å
45T90.8Very high88.9Confident79 Ų79107.7 Ų107.749%0.48551%0.509SS..Hα-helixtrans-66.8-39.8174.356.80000111.8R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.3Å; R41-T45 PolarHBondContact O-N 3.42Å; R41-T45 PolarHBondContact O-OG1 3.33Å; L42-T45 PolarHBondContact O-OG1 2.99Å; T45-W48 PolarHBondContact O-N 3.17Å; T45-L49 PolarHBondContact O-N 2.97Å
46Q90.6Very high88.9Confident52 Ų52103.4 Ų103.424%0.24349%0.492CS..Hα-helixtrans-60.6-50.3173.4-75.9173-16.600111.9L42 I43 W48 L49 I50L42-Q46 WeakPolarHBondContact O-CB 3.21Å; L42-Q46 WeakPolarHBondContact O-CG 3.39Å; L42-Q46 PolarHBondContact O-N 3.41Å; I43-Q46 PolarHBondContact O-N 3.44Å; Q46-W48 VanDerWaalsContact C-N 3.28Å; Q46-W48 PolarHBondContact O-N 3.28Å; Q46-L49 WeakPolarHBondContact O-CB 3.31Å; Q46-L49 PolarHBondContact O-N 3.26Å; Q46-I50 VanDerWaalsContact O-CG1 3.26Å; Q46-I50 WeakPolarHBondContact O-CG1 3.26Å; Q46-I50 PolarHBondContact O-N 2.93Å
47Q90.2Very high88.8Confident100 Ų10095.2 Ų95.247%0.46746%0.461SS..Hα-helixtrans-60.1-38.7177.5-74.7175.7-12.200112N39 I43 T44 I50 K51N39-Q47 PolarHBondContact ND2-NE2 2.82Å; I43-Q47 HydrophobicContact CG2-CG 4.3Å; I43-Q47 WeakPolarHBondContact O-CB 3.35Å; I43-Q47 VanDerWaalsContact O-CG 3.23Å; I43-Q47 WeakPolarHBondContact O-CG 3.42Å; I43-Q47 PolarHBondContact O-N 3.33Å; T44-Q47 PolarHBondContact O-N 3.15Å; Q47-I50 PolarHBondContact O-N 3.3Å; Q47-K51 WeakPolarHBondContact O-CB 3.34Å; Q47-K51 PolarHBondContact O-N 3.19Å
48W91.8Very high89Confident167 Ų16787.6 Ų87.663%0.63342%0.421SS*.Hα-helixtrans-64.1-45175.6-178.682.5000112T44 T45 Q46 K51 L52T44-W48 WeakPolarHBondContact O-CB 3.2Å; T44-W48 PolarHBondContact O-N 3.28Å; T45-W48 PolarHBondContact O-N 3.17Å; Q46-W48 VanDerWaalsContact C-N 3.28Å; Q46-W48 PolarHBondContact O-N 3.28Å; W48-K51 PolarHBondContact O-N 3.09Å; W48-L52 HydrophobicContact CD2-CD1 3.75Å; W48-L52 HydrophobicContact CD2-CG 4.41Å; W48-L52 HydrophobicContact CE3-CD1 3.79Å; W48-L52 HydrophobicContact CH2-CD1 3.43Å; W48-L52 VanDerWaalsContact CH2-CD1 3.43Å; W48-L52 HydrophobicContact CZ2-CD1 3.39Å; W48-L52 HydrophobicContact CZ2-CG 4.45Å; W48-L52 HydrophobicContact CZ3-CD1 3.63Å; W48-L52 WeakPolarHBondContact O-CG 3.32Å; W48-L52 PolarHBondContact O-N 3.36Å
49L90.5Very high88.9Confident102 Ų10284 Ų8453%0.53441%0.414SS..Hα-helixtrans-60.1-45.5175.1-109.8161.3000112.3T45 Q46 K51 L52 T53T45-L49 PolarHBondContact O-N 2.97Å; Q46-L49 WeakPolarHBondContact O-CB 3.31Å; Q46-L49 PolarHBondContact O-N 3.26Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 2.93Å; L49-L52 PolarHBondContact O-N 3.28Å; L49-T53 WeakPolarHBondContact O-CG2 3.35Å; L49-T53 PolarHBondContact O-N 3.43Å; L49-T53 PolarHBondContact O-OG1 3.35Å
50I91.1Very high88.3Confident61 Ų6188.7 Ų88.731%0.31344%0.437SS..Hα-helixtrans-62.5-41177.6-66.5170.3000110.8Q46 Q47 T53 S54 V73 I77Q46-I50 VanDerWaalsContact O-CG1 3.26Å; Q46-I50 WeakPolarHBondContact O-CG1 3.26Å; Q46-I50 PolarHBondContact O-N 2.93Å; Q47-I50 PolarHBondContact O-N 3.3Å; I50-T53 WeakPolarHBondContact CA-OG1 3.4Å; I50-T53 PolarHBondContact O-OG1 3.43Å; I50-T53 VanDerWaalsContact O-OG1 3.06Å; I50-S54 VanDerWaalsContact O-CB 3.27Å; I50-S54 WeakPolarHBondContact O-CB 3.48Å; I50-S54 PolarHBondContact O-N 2.95Å; I50-S54 PolarHBondContact O-OG 3.47Å; I50-V73 HydrophobicContact CG2-CG1 3.87Å; I50-I77 HydrophobicContact CD1-CD1 4.01Å; I50-I77 HydrophobicContact CG1-CD1 3.72Å
51K90.7Very high87.9Confident154 Ų15483.9 Ų83.967%0.6741%0.411SS*.Hα-helixtrans-66.2-39.8178.2-173176.1-179.1178.20112.3Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.34Å; Q47-K51 PolarHBondContact O-N 3.19Å; W48-K51 PolarHBondContact O-N 3.09Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 2.93Å; K51-S54 WeakPolarHBondContact CA-OG 3.2Å; K51-S54 PolarHBondContact O-OG 3.43Å; K51-S54 VanDerWaalsContact O-OG 3.06Å; K51-K55 VanDerWaalsContact O-CB 3.26Å; K51-K55 WeakPolarHBondContact O-CB 3.4Å; K51-K55 PolarHBondContact O-N 2.98Å; K51-K55 VanDerWaalsContact O-N 3.07Å
52L90.8Very high87.3Confident67 Ų6779.1 Ų79.135%0.35140%0.401SS..Hα-helixtrans-67.4-50178.1-74.7177.3000112.1W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.75Å; W48-L52 HydrophobicContact CD2-CG 4.41Å; W48-L52 HydrophobicContact CE3-CD1 3.79Å; W48-L52 HydrophobicContact CH2-CD1 3.43Å; W48-L52 VanDerWaalsContact CH2-CD1 3.43Å; W48-L52 HydrophobicContact CZ2-CD1 3.39Å; W48-L52 HydrophobicContact CZ2-CG 4.45Å; W48-L52 HydrophobicContact CZ3-CD1 3.63Å; W48-L52 WeakPolarHBondContact O-CG 3.32Å; W48-L52 PolarHBondContact O-N 3.36Å; L49-L52 PolarHBondContact O-N 3.28Å; L52-K55 PolarHBondContact O-N 2.83Å; L52-Q56 WeakPolarHBondContact O-CG 3.35Å; L52-Q56 PolarHBondContact O-N 3.48Å
53T87.9Confident86.8Confident28 Ų2879.5 Ų79.517%0.17241%0.408CS..Hα-helixtrans-61.6-47-179.749.10000111.4L49 I50 K55 Q56 M57L49-T53 WeakPolarHBondContact O-CG2 3.35Å; L49-T53 PolarHBondContact O-N 3.43Å; L49-T53 PolarHBondContact O-OG1 3.35Å; I50-T53 WeakPolarHBondContact CA-OG1 3.4Å; I50-T53 PolarHBondContact O-OG1 3.43Å; I50-T53 VanDerWaalsContact O-OG1 3.06Å; T53-K55 PolarHBondContact O-N 3.1Å; T53-Q56 PolarHBondContact O-N 3Å; T53-M57 WeakPolarHBondContact O-CG 3.21Å; T53-M57 PolarHBondContact O-N 3.32Å
54S88.2Confident86.1Confident30 Ų3084.7 Ų84.721%0.2143%0.43CS..Hα-helixtrans-60.8-42.3175.557.70000112.5I50 K51 Q56 M58I50-S54 VanDerWaalsContact O-CB 3.27Å; I50-S54 WeakPolarHBondContact O-CB 3.48Å; I50-S54 PolarHBondContact O-N 2.95Å; I50-S54 PolarHBondContact O-OG 3.47Å; K51-S54 WeakPolarHBondContact CA-OG 3.2Å; K51-S54 PolarHBondContact O-OG 3.43Å; K51-S54 VanDerWaalsContact O-OG 3.06Å; S54-Q56 PolarHBondContact O-N 3.09Å; S54-M58 WeakPolarHBondContact O-CB 3.4Å; S54-M58 WeakPolarHBondContact O-CG 3.01Å; S54-M58 PolarHBondContact O-N 3.42Å
55K88.4Confident85.5Confident159 Ų15981.7 Ų81.769%0.69141%0.412SS*.Hα-helixtrans-62.1-44177.8-174.4-179.7178.7-174.70112K51 L52 T53 A59K51-K55 VanDerWaalsContact O-CB 3.26Å; K51-K55 WeakPolarHBondContact O-CB 3.4Å; K51-K55 PolarHBondContact O-N 2.98Å; K51-K55 VanDerWaalsContact O-N 3.07Å; L52-K55 PolarHBondContact O-N 2.83Å; T53-K55 PolarHBondContact O-N 3.1Å; K55-A59 PolarHBondContact O-N 3.15Å
56Q86.3Confident85.1Confident125 Ų12584.6 Ų84.658%0.58441%0.414SS*.Hα-helixtrans-66.6-47.5179.8-73.8178.8-23.300111.7L52 T53 S54 M58 A59L52-Q56 WeakPolarHBondContact O-CG 3.35Å; L52-Q56 PolarHBondContact O-N 3.48Å; T53-Q56 PolarHBondContact O-N 3Å; S54-Q56 PolarHBondContact O-N 3.09Å; Q56-M58 PolarHBondContact O-N 3.13Å; Q56-A59 PolarHBondContact O-N 3.35Å
57M83.6Confident84.8Confident12 Ų1286.9 Ų86.96%0.05943%0.431CS..Hα-helixtrans-66.5-40.4-179.6-68.4-163.9149.500112.6T53 A59 H61 L72 I76 T215T53-M57 WeakPolarHBondContact O-CG 3.21Å; T53-M57 PolarHBondContact O-N 3.32Å; M57-A59 VanDerWaalsContact C-N 3.29Å; M57-A59 PolarHBondContact O-N 2.8Å; M57-H61 PolarHBondContact O-ND1 3.14Å; M57-L72 HydrophobicContact SD-CB 4.41Å; M57-I76 HydrophobicContact CE-CD1 4.12Å; M57-T215 VanDerWaalsContact CE-OG1 3.22Å; M57-T215 WeakPolarHBondContact CE-OG1 3.43Å
58M83.9Confident84.6Confident19 Ų1984.6 Ų84.69%0.09442%0.419CS..Hα-helixtrans-77.4-13.9-176.8-64.7-59.7110.800113.7S54 Q56 M60 H61 R66 S69 L72S54-M58 WeakPolarHBondContact O-CB 3.4Å; S54-M58 WeakPolarHBondContact O-CG 3.01Å; S54-M58 PolarHBondContact O-N 3.42Å; Q56-M58 PolarHBondContact O-N 3.13Å; M58-M60 PolarHBondContact O-N 3.01Å; M58-H61 PolarHBondContact O-N 3.12Å; M58-R66 HydrophobicContact SD-CB 4.27Å; M58-R66 HydrophobicContact SD-CG 3.98Å; M58-S69 WeakPolarHBondContact CG-OG 3.3Å; M58-S69 WeakPolarHBondContact SD-CB 3.43Å; M58-S69 PolarHBondContact SD-OG 2.97Å; M58-S69 VanDerWaalsContact SD-OG 3.42Å; M58-L72 HydrophobicContact CE-CD1 3.88Å
59A83.4Confident84.3Confident80 Ų8078 Ų7866%0.66140%0.398SS*.THydrogen-bonded Turntrans-61.4-30.2175.300000112.3K55 Q56 M57K55-A59 PolarHBondContact O-N 3.15Å; Q56-A59 PolarHBondContact O-N 3.35Å; M57-A59 VanDerWaalsContact C-N 3.29Å; M57-A59 PolarHBondContact O-N 2.8Å
60M76.8Confident84.3Confident121 Ų12180.2 Ų80.260%0.59641%0.409SS*.THydrogen-bonded Turntrans-85.3-8.9-179.3-56.9-175.576.700113.7M58 H223M58-M60 PolarHBondContact O-N 3.01Å; M60-H223 PolarHBondContact O-CE1 2.78Å; M60-H223 PolarHBondContact O-ND1 3.25Å
61H80.5Confident84.2Confident6 Ų679.8 Ų79.83%0.02841%0.407CS..  trans-110.9139.6-167.6-68.476.9000113.9M57 M58 R66 S219M57-H61 PolarHBondContact O-ND1 3.14Å; M58-H61 PolarHBondContact O-N 3.12Å; H61-R66 HydrophobicContact CB-CG 4.38Å; H61-R66 PolarHBondContact O-NE 3.48Å; H61-S219 PolarHBondContact NE2-O 3.26Å
62N77.6Confident84.2Confident110 Ų11072.5 Ų72.559%0.58838%0.375SS*.  trans-71169.8168.3-80-18.9000112.2K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.27Å; N62-K64 PolarHBondContact O-N 3.12Å; N62-K64 VanDerWaalsContact O-N 3.16Å; N62-G65 PolarHBondContact O-N 3.23Å; N62-R66 PolarHBondContact O-N 3.41Å
63T78.1Confident84.2Confident118 Ų11870.1 Ų70.172%0.72436%0.363SS*.THydrogen-bonded Turntrans-53.6-37.6-175.152.70000114.1
64K76.9Confident84.3Confident126 Ų12671.9 Ų71.955%0.54838%0.377SS..THydrogen-bonded Turntrans-67.9-44.9174.8-69.2-176.7-178.4176.90112.3N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.27Å; N62-K64 PolarHBondContact O-N 3.12Å; N62-K64 VanDerWaalsContact O-N 3.16Å; K64-R66 VanDerWaalsContact C-N 3.26Å; K64-R66 PolarHBondContact O-N 3.08Å; K64-T67 WeakPolarHBondContact O-CB 3.18Å; K64-T67 PolarHBondContact O-N 2.91Å; K64-T67 PolarHBondContact O-OG1 3Å
65G76.8Confident84.4Confident0 Ų071.2 Ų71.20%037%0.371CS..G310 helixtrans-63.9-30.2177.300000113N62 T67 W68N62-G65 PolarHBondContact O-N 3.23Å; G65-T67 PolarHBondContact O-N 3.29Å; G65-T67 VanDerWaalsContact O-N 3.17Å; G65-W68 PolarHBondContact O-N 2.76Å; G65-W68 VanDerWaalsContact O-N 3.08Å
66R82.3Confident84.5Confident139 Ų13964.5 Ų64.553%0.52534%0.342SS..G310 helixtrans-63.1-20.2175.6-69.6-179.4-173.1-174.90.6114.1M58 H61 N62 K64 W68 S69M58-R66 HydrophobicContact SD-CB 4.27Å; M58-R66 HydrophobicContact SD-CG 3.98Å; H61-R66 HydrophobicContact CB-CG 4.38Å; H61-R66 PolarHBondContact O-NE 3.48Å; N62-R66 PolarHBondContact O-N 3.41Å; K64-R66 VanDerWaalsContact C-N 3.26Å; K64-R66 PolarHBondContact O-N 3.08Å; R66-W68 PolarHBondContact O-N 3.42Å; R66-S69 WeakPolarHBondContact O-CB 3.38Å; R66-S69 PolarHBondContact O-N 3.02Å; R66-S69 VanDerWaalsContact O-N 3.11Å
67T85.1Confident84.8Confident100 Ų10060.6 Ų60.661%0.61333%0.325SS*.G310 helixtrans-63.5-26.4174.361.70000112.5K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.18Å; K64-T67 PolarHBondContact O-N 2.91Å; K64-T67 PolarHBondContact O-OG1 3Å; G65-T67 PolarHBondContact O-N 3.29Å; G65-T67 VanDerWaalsContact O-N 3.17Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 2.87Å
68W85.3Confident85.1Confident53 Ų5362.4 Ų62.420%0.20133%0.333CS..G310 helixtrans-85.32.1177.3-72.164000113.5G65 R66 L70 M71 L72 M115 L222G65-W68 PolarHBondContact O-N 2.76Å; G65-W68 VanDerWaalsContact O-N 3.08Å; R66-W68 PolarHBondContact O-N 3.42Å; W68-L70 VanDerWaalsContact C-N 3.31Å; W68-L70 PolarHBondContact O-N 2.93Å; W68-M71 HydrophobicContact CD2-CE 4.39Å; W68-M71 HydrophobicContact CE3-CE 3.18Å; W68-M71 HydrophobicContact CE3-SD 3.52Å; W68-M71 VanDerWaalsContact CE3-SD 3.52Å; W68-M71 HydrophobicContact CH2-SD 4.45Å; W68-M71 HydrophobicContact CZ3-CE 3.44Å; W68-M71 VanDerWaalsContact CZ3-CE 3.44Å; W68-M71 HydrophobicContact CZ3-SD 3.43Å; W68-M71 WeakPolarHBondContact CZ3-SD 3.45Å; W68-M71 PolarHBondContact O-N 3.12Å; W68-M71 VanDerWaalsContact O-N 3.13Å; W68-L72 PolarHBondContact O-N 3.23Å; W68-M115 HydrophobicContact CZ2-SD 3.85Å; W68-M115 PolarHBondContact NE1-SD 3.34Å; W68-L222 HydrophobicContact CB-CD2 3.45Å; W68-L222 VanDerWaalsContact CB-CD2 3.45Å; W68-L222 HydrophobicContact CD2-CD1 3.84Å; W68-L222 HydrophobicContact CD2-CD2 4.18Å; W68-L222 HydrophobicContact CE3-CD1 4.19Å; W68-L222 HydrophobicContact CG-CD1 4Å; W68-L222 HydrophobicContact CG-CD2 3.6Å; W68-L222 HydrophobicContact CG-CG 4.47Å
69S86.5Confident85.4Confident27 Ų2761.5 Ų61.519%0.18933%0.328CS..Hα-helixtrans-54.4-47-177.5-173.30000112.5M58 R66 T67 M71 L72 V73M58-S69 WeakPolarHBondContact CG-OG 3.3Å; M58-S69 WeakPolarHBondContact SD-CB 3.43Å; M58-S69 PolarHBondContact SD-OG 2.97Å; M58-S69 VanDerWaalsContact SD-OG 3.42Å; R66-S69 WeakPolarHBondContact O-CB 3.38Å; R66-S69 PolarHBondContact O-N 3.02Å; R66-S69 VanDerWaalsContact O-N 3.11Å; T67-S69 VanDerWaalsContact C-N 3.28Å; T67-S69 PolarHBondContact O-N 2.87Å; S69-M71 VanDerWaalsContact C-N 3.28Å; S69-M71 PolarHBondContact O-N 2.92Å; S69-L72 PolarHBondContact O-N 3.47Å; S69-V73 WeakPolarHBondContact O-CB 3.31Å; S69-V73 VanDerWaalsContact O-CG2 3.26Å; S69-V73 WeakPolarHBondContact O-CG2 3.2Å; S69-V73 PolarHBondContact O-N 3.39Å
70L90Very high85.7Confident149 Ų14959.1 Ų59.178%0.7831%0.308SS*.Hα-helixtrans-58.6-44-179.2-168.696.8000111.2W68 V73 S74W68-L70 VanDerWaalsContact C-N 3.31Å; W68-L70 PolarHBondContact O-N 2.93Å; L70-V73 PolarHBondContact O-N 2.82Å; L70-S74 WeakPolarHBondContact O-CB 3.4Å; L70-S74 PolarHBondContact O-N 3.41Å; L70-S74 PolarHBondContact O-OG 3.18Å
71M90.3Very high86.4Confident53 Ų5354.8 Ų54.826%0.26129%0.289SS..Hα-helixtrans-65.9-47.9-178.6-168.4-160.675.500111W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 4.39Å; W68-M71 HydrophobicContact CE3-CE 3.18Å; W68-M71 HydrophobicContact CE3-SD 3.52Å; W68-M71 VanDerWaalsContact CE3-SD 3.52Å; W68-M71 HydrophobicContact CH2-SD 4.45Å; W68-M71 HydrophobicContact CZ3-CE 3.44Å; W68-M71 VanDerWaalsContact CZ3-CE 3.44Å; W68-M71 HydrophobicContact CZ3-SD 3.43Å; W68-M71 WeakPolarHBondContact CZ3-SD 3.45Å; W68-M71 PolarHBondContact O-N 3.12Å; W68-M71 VanDerWaalsContact O-N 3.13Å; S69-M71 VanDerWaalsContact C-N 3.28Å; S69-M71 PolarHBondContact O-N 2.92Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 3.48Å; M71-S74 PolarHBondContact O-N 3.39Å; M71-S74 PolarHBondContact O-OG 2.88Å; M71-L75 VanDerWaalsContact O-CB 3.29Å; M71-L75 WeakPolarHBondContact O-CB 3.42Å; M71-L75 PolarHBondContact O-N 3.33Å; M71-L108 HydrophobicContact CE-CD2 3.28Å; M71-L108 HydrophobicContact CG-CD2 4.28Å; M71-L108 HydrophobicContact SD-CD2 3.4Å; M71-L108 WeakPolarHBondContact SD-CD2 3.26Å
72L89.7Confident86.8Confident1 Ų154.7 Ų54.71%0.00529%0.289CS..Hα-helixtrans-61.4-41.1178.5-69.3171.5000112.4M57 M58 W68 S69 L75 I76 V218M57-L72 HydrophobicContact SD-CB 4.41Å; M58-L72 HydrophobicContact CE-CD1 3.88Å; W68-L72 PolarHBondContact O-N 3.23Å; S69-L72 PolarHBondContact O-N 3.47Å; L72-L75 PolarHBondContact O-N 3.08Å; L72-I76 PolarHBondContact O-N 3.29Å; L72-V218 HydrophobicContact CD2-CB 4.2Å; L72-V218 HydrophobicContact CD2-CG1 3.82Å
73V90.9Very high87.4Confident16 Ų1649.6 Ų49.610%0.09726%0.261CS..Hα-helixtrans-67.6-41.9176.9172.30000111.1I50 S69 L70 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.87Å; S69-V73 WeakPolarHBondContact O-CB 3.31Å; S69-V73 VanDerWaalsContact O-CG2 3.26Å; S69-V73 WeakPolarHBondContact O-CG2 3.2Å; S69-V73 PolarHBondContact O-N 3.39Å; L70-V73 PolarHBondContact O-N 2.82Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 3.48Å; V73-L75 VanDerWaalsContact C-N 3.29Å; V73-L75 PolarHBondContact O-N 3.13Å; V73-I76 VanDerWaalsContact O-CG2 3.3Å; V73-I76 WeakPolarHBondContact O-CG2 3.41Å; V73-I77 HydrophobicContact CG1-CD1 3.76Å; V73-I77 VanDerWaalsContact O-CD1 3.3Å; V73-I77 WeakPolarHBondContact O-CD1 3.31Å; V73-I77 WeakPolarHBondContact O-CG1 3.37Å; V73-I77 PolarHBondContact O-N 3.08Å
74S90.9Very high87.9Confident66 Ų6648.4 Ų48.446%0.46225%0.25SS..Hα-helixtrans-63.4-38.4176.270.20000112.1L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.4Å; L70-S74 PolarHBondContact O-N 3.41Å; L70-S74 PolarHBondContact O-OG 3.18Å; M71-S74 PolarHBondContact O-N 3.39Å; M71-S74 PolarHBondContact O-OG 2.88Å; S74-F78 VanDerWaalsContact O-CB 3.25Å; S74-F78 WeakPolarHBondContact O-CB 3.17Å; S74-F78 PolarHBondContact O-N 3.09Å
75L90.1Very high88.5Confident16 Ų1644.7 Ų44.78%0.08424%0.236CC..Hα-helixtrans-65.9-47.6-179.6-175.779000112M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 VanDerWaalsContact O-CB 3.29Å; M71-L75 WeakPolarHBondContact O-CB 3.42Å; M71-L75 PolarHBondContact O-N 3.33Å; L72-L75 PolarHBondContact O-N 3.08Å; V73-L75 VanDerWaalsContact C-N 3.29Å; V73-L75 PolarHBondContact O-N 3.13Å; L75-I77 VanDerWaalsContact C-N 3.32Å; L75-I77 PolarHBondContact O-N 3.3Å; L75-F78 PolarHBondContact O-N 3.46Å; L75-I79 HydrophobicContact CD1-CD1 4.08Å; L75-I79 HydrophobicContact CG-CD1 3.92Å; L75-I79 WeakPolarHBondContact O-CG1 3.21Å; L75-I79 PolarHBondContact O-N 3.06Å; L75-L108 HydrophobicContact CD1-CD1 3.45Å; L75-L108 VanDerWaalsContact CD1-CD1 3.45Å; L75-L108 HydrophobicContact CD2-CD1 3.83Å; L75-L108 HydrophobicContact CG-CD1 4.3Å; L75-F214 HydrophobicContact CD1-CE1 4.08Å; L75-F214 HydrophobicContact CD2-CD1 3.85Å; L75-F214 HydrophobicContact CD2-CE1 3.77Å; L75-F214 HydrophobicContact CG-CD1 4.31Å; L75-F214 HydrophobicContact CG-CE1 4.18Å; L75-T215 HydrophobicContact CB-CG2 4.08Å; L75-T215 HydrophobicContact CD2-CG2 3.48Å; L75-T215 VanDerWaalsContact CD2-CG2 3.48Å; L75-T215 HydrophobicContact CG-CG2 3.73Å
76I90.8Very high88.9Confident18 Ų1844.8 Ų44.89%0.09224%0.237CC..Hα-helixtrans-64.5-41.2-179.5-166.3172.4000111M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CD1 4.12Å; L72-I76 PolarHBondContact O-N 3.29Å; V73-I76 VanDerWaalsContact O-CG2 3.3Å; V73-I76 WeakPolarHBondContact O-CG2 3.41Å; I76-A80 WeakPolarHBondContact O-CB 3.3Å; I76-A80 PolarHBondContact O-N 2.95Å; I76-A211 HydrophobicContact CG1-CB 4.46Å; I76-Y212 HydrophobicContact CD1-CD2 4.18Å; I76-T215 VanDerWaalsContact CA-CG2 3.48Å; I76-T215 HydrophobicContact CB-CG2 3.5Å; I76-T215 HydrophobicContact CG1-CG2 4.08Å
77I90.9Very high89Confident43 Ų4339.9 Ų39.922%0.22122%0.221CC..Hα-helixtrans-66.6-43178.3-63.4165.4000110.2I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.4Å; I50-I77 HydrophobicContact CD1-CD1 4.01Å; I50-I77 HydrophobicContact CG1-CD1 3.72Å; V73-I77 HydrophobicContact CG1-CD1 3.76Å; V73-I77 VanDerWaalsContact O-CD1 3.3Å; V73-I77 WeakPolarHBondContact O-CD1 3.31Å; V73-I77 WeakPolarHBondContact O-CG1 3.37Å; V73-I77 PolarHBondContact O-N 3.08Å; L75-I77 VanDerWaalsContact C-N 3.32Å; L75-I77 PolarHBondContact O-N 3.3Å; I77-T81 HydrophobicContact CG2-CG2 4.28Å; I77-T81 WeakPolarHBondContact O-CB 3.2Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.26Å; I77-T81 PolarHBondContact O-N 2.65Å; I77-T81 PolarHBondContact O-OG1 3.49Å
78F90.4Very high89.1Confident50 Ų5039.7 Ų39.722%0.21922%0.215CC..Hα-helixtrans-60.6-53.4178.3-179.5-104.5000111.7I24 S74 L75 A80 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.33Å; S74-F78 VanDerWaalsContact O-CB 3.25Å; S74-F78 WeakPolarHBondContact O-CB 3.17Å; S74-F78 PolarHBondContact O-N 3.09Å; L75-F78 PolarHBondContact O-N 3.46Å; F78-A80 PolarHBondContact O-N 3.17Å; F78-T81 PolarHBondContact O-N 3.19Å; F78-T81 PolarHBondContact O-OG1 2.86Å; F78-T82 HydrophobicContact CD2-CG2 4.33Å; F78-T82 HydrophobicContact CE1-CG2 4.16Å; F78-T82 HydrophobicContact CE2-CG2 3.96Å; F78-T82 HydrophobicContact CZ-CG2 3.87Å; F78-T82 WeakPolarHBondContact O-CG2 3.4Å; F78-T82 PolarHBondContact O-N 3.23Å; F78-T82 PolarHBondContact O-OG1 3.38Å; F78-T82 VanDerWaalsContact O-OG1 3.07Å; F78-M100 HydrophobicContact CE1-CE 4.09Å; F78-M100 HydrophobicContact CZ-CE 3.98Å; F78-M104 HydrophobicContact CD1-CE 4.47Å; F78-M104 HydrophobicContact CD1-SD 3.88Å; F78-M104 HydrophobicContact CE1-CE 3.77Å; F78-M104 HydrophobicContact CE1-SD 3.62Å
79I90.4Very high88.9Confident0 Ų042.5 Ų42.50%024%0.241CC..Hα-helixtrans-65.1-42.2-178.1-60.6168.2000110.9L75 T82 N83 M104 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 4.08Å; L75-I79 HydrophobicContact CG-CD1 3.92Å; L75-I79 WeakPolarHBondContact O-CG1 3.21Å; L75-I79 PolarHBondContact O-N 3.06Å; I79-T82 WeakPolarHBondContact CA-OG1 3.47Å; I79-T82 PolarHBondContact O-OG1 3.34Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.4Å; I79-N83 WeakPolarHBondContact O-CB 3.37Å; I79-N83 PolarHBondContact O-N 2.94Å; I79-N83 PolarHBondContact O-ND2 3.13Å; I79-N83 PolarHBondContact O-OD1 3.09Å; I79-M104 HydrophobicContact CG1-SD 4.47Å; I79-L160 HydrophobicContact CG2-CD1 4.06Å; I79-L160 HydrophobicContact CG2-CD2 4.17Å; I79-A211 HydrophobicContact CB-CB 4.05Å; I79-A211 HydrophobicContact CG2-CB 3.78Å; I79-F214 HydrophobicContact CD1-CB 4.26Å; I79-F214 HydrophobicContact CD1-CD1 3.36Å; I79-F214 HydrophobicContact CD1-CD2 4.32Å; I79-F214 HydrophobicContact CD1-CE1 3.71Å; I79-F214 HydrophobicContact CD1-CG 3.73Å; I79-F214 HydrophobicContact CD1-CZ 4.33Å
80A89.9Confident88.7Confident29 Ų2951 Ų5124%0.2428%0.277CS..Hα-helixtrans-62.7-45179.100000111.5I76 F78 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.3Å; I76-A80 PolarHBondContact O-N 2.95Å; F78-A80 PolarHBondContact O-N 3.17Å; A80-L84 VanDerWaalsContact O-CB 3.31Å; A80-L84 WeakPolarHBondContact O-CB 3.32Å; A80-L84 PolarHBondContact O-N 3.45Å; A80-A211 HydrophobicContact CB-CB 3.94Å
81T90.3Very high88.4Confident31 Ų3145.5 Ų45.519%0.1925%0.251CS..Hα-helixtrans-67.8-44.4179.251.50000111.8P27 I77 F78 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.23Å; I77-T81 HydrophobicContact CG2-CG2 4.28Å; I77-T81 WeakPolarHBondContact O-CB 3.2Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.26Å; I77-T81 PolarHBondContact O-N 2.65Å; I77-T81 PolarHBondContact O-OG1 3.49Å; F78-T81 PolarHBondContact O-N 3.19Å; F78-T81 PolarHBondContact O-OG1 2.86Å; T81-N83 VanDerWaalsContact C-N 3.33Å; T81-N83 PolarHBondContact O-N 3.13Å; T81-L84 PolarHBondContact O-N 3.33Å; T81-L85 VanDerWaalsContact O-CB 3.3Å; T81-L85 WeakPolarHBondContact O-CB 3.04Å; T81-L85 WeakPolarHBondContact O-CD1 3.34Å; T81-L85 WeakPolarHBondContact O-CG 3.47Å; T81-L85 PolarHBondContact O-N 3.35Å
82T90.1Very high87.9Confident4 Ų444.2 Ų44.23%0.02524%0.244CC..Hα-helixtrans-60.8-40.9177520000112.5P27 F78 I79 G86P27-T82 HydrophobicContact CB-CG2 4.14Å; P27-T82 HydrophobicContact CG-CG2 3.41Å; P27-T82 VanDerWaalsContact CG-CG2 3.41Å; F78-T82 HydrophobicContact CD2-CG2 4.33Å; F78-T82 HydrophobicContact CE1-CG2 4.16Å; F78-T82 HydrophobicContact CE2-CG2 3.96Å; F78-T82 HydrophobicContact CZ-CG2 3.87Å; F78-T82 WeakPolarHBondContact O-CG2 3.4Å; F78-T82 PolarHBondContact O-N 3.23Å; F78-T82 PolarHBondContact O-OG1 3.38Å; F78-T82 VanDerWaalsContact O-OG1 3.07Å; I79-T82 WeakPolarHBondContact CA-OG1 3.47Å; I79-T82 PolarHBondContact O-OG1 3.34Å; T82-G86 PolarHBondContact O-N 3.24Å
83N90.3Very high87.6Confident2 Ų244.3 Ų44.31%0.01125%0.245CC..Hα-helixtrans-71-41-179.6-66-10.4000111.2I79 T81 G86 L87 T95 L160 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.4Å; I79-N83 WeakPolarHBondContact O-CB 3.37Å; I79-N83 PolarHBondContact O-N 2.94Å; I79-N83 PolarHBondContact O-ND2 3.13Å; I79-N83 PolarHBondContact O-OD1 3.09Å; T81-N83 VanDerWaalsContact C-N 3.33Å; T81-N83 PolarHBondContact O-N 3.13Å; N83-G86 WeakPolarHBondContact O-CA 3.48Å; N83-G86 PolarHBondContact O-N 3Å; N83-G86 VanDerWaalsContact O-N 3.12Å; N83-L87 PolarHBondContact O-N 2.96Å; N83-T95 WeakPolarHBondContact OD1-CB 3.44Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.26Å; N83-T95 PolarHBondContact OD1-OG1 3.19Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.43Å; N83-I164 HydrophobicContact CB-CD1 4.27Å; N83-I164 VanDerWaalsContact CG-CD1 3.43Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.18Å; N83-A207 HydrophobicContact CB-CB 3.9Å; N83-A207 PolarHBondContact ND2-O 3.37Å
84L88.9Confident87.1Confident94 Ų9444 Ų4449%0.49224%0.243SC..Hα-helixtrans-69.1-42.9-179.3-156.7107.2000112.1A80 T81 G86 L87 I204A80-L84 VanDerWaalsContact O-CB 3.31Å; A80-L84 WeakPolarHBondContact O-CB 3.32Å; A80-L84 PolarHBondContact O-N 3.45Å; T81-L84 PolarHBondContact O-N 3.33Å; L84-G86 PolarHBondContact O-N 3.16Å; L84-L87 PolarHBondContact O-N 3.31Å; L84-I204 HydrophobicContact CD1-CG2 4.37Å
85L88.4Confident86.8Confident47 Ų4741 Ų4125%0.24622%0.222CC..Hα-helixtrans-59.4-29.9170.1-80.3156.5000111.7F26 P27 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD1 3.96Å; F26-L85 HydrophobicContact CD1-CD2 3.84Å; F26-L85 HydrophobicContact CE1-CD1 4.4Å; F26-L85 HydrophobicContact CE1-CD2 3.59Å; P27-L85 HydrophobicContact CB-CD1 4.09Å; P27-L85 HydrophobicContact CG-CD1 4.06Å; T81-L85 VanDerWaalsContact O-CB 3.3Å; T81-L85 WeakPolarHBondContact O-CB 3.04Å; T81-L85 WeakPolarHBondContact O-CD1 3.34Å; T81-L85 WeakPolarHBondContact O-CG 3.47Å; T81-L85 PolarHBondContact O-N 3.35Å; L85-L87 VanDerWaalsContact C-N 3.34Å; L85-L87 PolarHBondContact O-N 3.01Å; L85-L88 HydrophobicContact CD2-CD1 4.12Å; L85-L88 WeakPolarHBondContact O-CB 3.36Å; L85-L88 WeakPolarHBondContact O-CG 2.99Å; L85-L88 PolarHBondContact O-N 2.89Å; L85-S91 PolarHBondContact O-OG 2.84Å
86G84.8Confident86.5Confident2 Ų240.6 Ų40.62%0.02122%0.22CC..Hα-helixtrans-64.1-32.4177.100000116.5T82 N83 L84 L88 S91 H168T82-G86 PolarHBondContact O-N 3.24Å; N83-G86 WeakPolarHBondContact O-CA 3.48Å; N83-G86 PolarHBondContact O-N 3Å; N83-G86 VanDerWaalsContact O-N 3.12Å; L84-G86 PolarHBondContact O-N 3.16Å; G86-L88 PolarHBondContact O-N 3.34Å; G86-S91 PolarHBondContact O-OG 3.5Å; G86-H168 PolarHBondContact O-CE1 3.24Å; G86-H168 PolarHBondContact O-NE2 2.84Å
87L86Confident86.4Confident37 Ų3743 Ų4319%0.19423%0.231CC..THydrogen-bonded Turntrans-78.6-4.3-179-62.7173.6000113N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 2.96Å; L84-L87 PolarHBondContact O-N 3.31Å; L85-L87 VanDerWaalsContact C-N 3.34Å; L85-L87 PolarHBondContact O-N 3.01Å; L87-M171 HydrophobicContact CD2-CE 3.96Å; L87-E203 HydrophobicContact CD1-CG 4.43Å; L87-E203 HydrophobicContact CD2-CB 4.19Å; L87-E203 HydrophobicContact CD2-CG 3.4Å; L87-E203 VanDerWaalsContact CD2-CG 3.4Å; L87-I204 HydrophobicContact CD1-CB 4.22Å; L87-I204 HydrophobicContact CD1-CG1 3.63Å; L87-A207 HydrophobicContact CD1-CB 4.05Å
88L86.6Confident86.2Confident95 Ų9544.2 Ų44.250%0.49724%0.238SC..SBendtrans-66.3146.4174.8-66173.1000110.9L85 G86 H90 S91L85-L88 HydrophobicContact CD2-CD1 4.12Å; L85-L88 WeakPolarHBondContact O-CB 3.36Å; L85-L88 WeakPolarHBondContact O-CG 2.99Å; L85-L88 PolarHBondContact O-N 2.89Å; G86-L88 PolarHBondContact O-N 3.34Å; L88-H90 PolarHBondContact O-N 3.2Å; L88-S91 PolarHBondContact O-N 2.99Å; L88-S91 PolarHBondContact O-OG 3.07Å; L88-S91 VanDerWaalsContact O-OG 3.07Å
89P81.6Confident86Confident113 Ų11345.8 Ų45.873%0.73426%0.255SS*.THydrogen-bonded Turntrans-60133178.925-33.5000110.6S91P89-S91 PolarHBondContact O-N 3.18Å; P89-S91 VanDerWaalsContact O-N 3.15Å
90H81.2Confident85.8Confident204 Ų20447.8 Ų47.894%0.94427%0.265SS*.THydrogen-bonded Turntrans58.716.6-179.7-56.1-65.4000116L88L88-H90 PolarHBondContact O-N 3.2Å
91S83Confident85.7Confident34 Ų3446.4 Ų46.424%0.23825%0.253CS..  trans-81.5142.7171.471.50000111.1L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 2.84Å; G86-S91 PolarHBondContact O-OG 3.5Å; L88-S91 PolarHBondContact O-N 2.99Å; L88-S91 PolarHBondContact O-OG 3.07Å; L88-S91 VanDerWaalsContact O-OG 3.07Å; P89-S91 PolarHBondContact O-N 3.18Å; P89-S91 VanDerWaalsContact O-N 3.15Å
92F81.1Confident85.5Confident27 Ų2747 Ų4712%0.11826%0.255CS..  trans-87.5123.9171.5171.6-94.3000109.1S8 A11 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.37Å; A11-F92 HydrophobicContact CB-CZ 4.49Å; P12-F92 HydrophobicContact CG-CB 4.36Å; P12-F92 HydrophobicContact CG-CD1 4.12Å; P12-F92 HydrophobicContact CG-CD2 4.49Å; P12-F92 HydrophobicContact CG-CG 4.07Å; A20-F92 HydrophobicContact CB-CE1 4.36Å; I23-F92 HydrophobicContact CD1-CB 4.08Å; I23-F92 HydrophobicContact CD1-CD1 3.95Å; I23-F92 HydrophobicContact CD1-CG 4.39Å; I23-F92 HydrophobicContact CG2-CD1 4.47Å; I23-F92 WeakPolarHBondContact CG2-O 2.94Å; F92-P94 HydrophobicContact CE1-CB 4.44Å; F92-P94 WeakPolarHBondContact O-CD 3.42Å; F92-Q97 HydrophobicContact CZ-CG 4.15Å
93T82.5Confident85.4Confident3 Ų349.9 Ų49.92%0.01828%0.279CS..  trans-92.4110.2178.328.20000111T95 T96 I164T93-T95 PolarHBondContact O-N 2.9Å; T93-T95 VanDerWaalsContact O-N 3.16Å; T93-T96 PolarHBondContact O-N 2.96Å; T93-T96 VanDerWaalsContact O-N 3.17Å; T93-T96 PolarHBondContact O-OG1 2.88Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.45Å; T93-I164 HydrophobicContact CG2-CG2 4.22Å
94P81.3Confident85.1Confident10 Ų1051 Ų517%0.06529%0.285CS..G310 helixtrans-63.4-23.7176.825.9-33.3000112.6I24 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.23Å; I24-P94 HydrophobicContact CG1-CB 3.67Å; I24-P94 HydrophobicContact CG1-CG 4.03Å; F92-P94 HydrophobicContact CE1-CB 4.44Å; F92-P94 WeakPolarHBondContact O-CD 3.42Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.31Å; P94-Q97 PolarHBondContact O-N 3.31Å; P94-M100 WeakPolarHBondContact O-CB 3.25Å
95T84Confident85Confident1 Ų146.7 Ų46.71%0.00626%0.262CS..G310 helixtrans-75.7-7.217950.90000114.4N83 T93 Q97 N101 L160 I164N83-T95 WeakPolarHBondContact OD1-CB 3.44Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.26Å; N83-T95 PolarHBondContact OD1-OG1 3.19Å; T93-T95 PolarHBondContact O-N 2.9Å; T93-T95 VanDerWaalsContact O-N 3.16Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; T95-N101 PolarHBondContact O-ND2 3.41Å; T95-L160 HydrophobicContact CG2-CD2 4.43Å; T95-I164 VanDerWaalsContact OG1-CD1 3.28Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.43Å
96T84.6Confident84.9Confident9 Ų948.3 Ų48.36%0.05527%0.271CS..G310 helixtrans-75-26.9169.656.80000112.3F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.86Å; F9-T96 HydrophobicContact CE1-CG2 3.72Å; T93-T96 PolarHBondContact O-N 2.96Å; T93-T96 VanDerWaalsContact O-N 3.17Å; T93-T96 PolarHBondContact O-OG1 2.88Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.45Å; P94-T96 VanDerWaalsContact C-N 3.27Å; P94-T96 PolarHBondContact O-N 3.31Å; T96-L98 PolarHBondContact O-N 2.93Å; T96-T161 WeakPolarHBondContact O-CG2 3.38Å; T96-I164 HydrophobicContact CG2-CB 4.34Å; T96-I164 HydrophobicContact CG2-CG2 3.65Å; T96-T165 HydrophobicContact CG2-CG2 3.73Å
97Q88Confident85.1Confident67 Ų6752.1 Ų52.131%0.31330%0.295SS..SBendtrans-77.9119.5178.3-65.7-64.1-3000109.6F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.11Å; F92-Q97 HydrophobicContact CZ-CG 4.15Å; P94-Q97 PolarHBondContact O-N 3.31Å; T95-Q97 VanDerWaalsContact C-N 3.33Å; Q97-S99 PolarHBondContact O-N 3.47Å; Q97-M100 PolarHBondContact O-N 3.33Å; Q97-M100 VanDerWaalsContact O-N 3.09Å; Q97-N101 PolarHBondContact O-N 2.96Å
98L85.8Confident85.1Confident69 Ų6951.3 Ų51.336%0.36129%0.291SS..Hα-helixtrans-57.1-33.3178.2-176.964000112.2T96 M100 N101 L102 M154 A157 V158 T161T96-L98 PolarHBondContact O-N 2.93Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.06Å; L98-N101 PolarHBondContact O-N 3.3Å; L98-L102 WeakPolarHBondContact O-CB 3.09Å; L98-L102 PolarHBondContact O-N 3.39Å; L98-M154 HydrophobicContact CD2-CE 4.14Å; L98-A157 HydrophobicContact CD1-CB 4.38Å; L98-V158 HydrophobicContact CD1-CG2 3.89Å; L98-T161 VanDerWaalsContact CA-CG2 3.46Å; L98-T161 HydrophobicContact CB-CG2 4.04Å; L98-T161 HydrophobicContact CD1-CG2 4.01Å
99S87.3Confident85Confident83 Ų8348.7 Ų48.758%0.5827%0.274SS*.Hα-helixtrans-56.6-43.6176.556.10000112.7Q97 A103Q97-S99 PolarHBondContact O-N 3.47Å; S99-A103 WeakPolarHBondContact O-CB 3.36Å; S99-A103 PolarHBondContact O-N 3.46Å
100M86.5Confident85.2Confident43 Ų4344.7 Ų44.721%0.21225%0.25CS..Hα-helixtrans-68.3-45.9-178.7-174.663.8-175.400111.4I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-CE 4.41Å; I24-M100 HydrophobicContact CD1-SD 4.22Å; I24-M100 HydrophobicContact CG2-CE 4.05Å; F78-M100 HydrophobicContact CE1-CE 4.09Å; F78-M100 HydrophobicContact CZ-CE 3.98Å; P94-M100 WeakPolarHBondContact O-CB 3.25Å; Q97-M100 PolarHBondContact O-N 3.33Å; Q97-M100 VanDerWaalsContact O-N 3.09Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.06Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.31Å; M100-A103 PolarHBondContact O-N 3.17Å; M100-M104 HydrophobicContact CE-CE 3.7Å; M100-M104 HydrophobicContact CG-CE 3.58Å; M100-M104 PolarHBondContact O-N 3.16Å; M100-M104 VanDerWaalsContact O-N 3.08Å; M100-M104 HydrophobicContact SD-CE 4.3Å
101N87.4Confident85.3Confident0 Ų036 Ų360%022%0.216CC..Hα-helixtrans-67.6-37.4-179.3-66.3-8.3000111.6T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.41Å; Q97-N101 PolarHBondContact O-N 2.96Å; L98-N101 PolarHBondContact O-N 3.3Å; N101-M104 PolarHBondContact O-N 3.31Å; N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.38Å; N101-A105 PolarHBondContact O-N 3.38Å; N101-A157 HydrophobicContact CB-CB 3.93Å; N101-A157 PolarHBondContact ND2-O 3.23Å; N101-L160 HydrophobicContact CB-CD2 4.34Å; N101-L160 VanDerWaalsContact CG-CD2 3.44Å; N101-L160 WeakPolarHBondContact ND2-CB 2.98Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.34Å; N101-L160 VanDerWaalsContact ND2-CG 3.35Å; N101-L160 WeakPolarHBondContact ND2-CG 3.47Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.48Å; N101-T161 HydrophobicContact CB-CG2 4.31Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.35Å; N101-T161 PolarHBondContact ND2-N 3.03Å
102L85.5Confident85.3Confident43 Ų4334.4 Ų34.423%0.22521%0.205CC..Hα-helixtrans-70.1-38.9177.3-163.865.8000111.6L98 M100 M104 A105 I106 M154 A157L98-L102 WeakPolarHBondContact O-CB 3.09Å; L98-L102 PolarHBondContact O-N 3.39Å; M100-L102 VanDerWaalsContact C-N 3.33Å; M100-L102 PolarHBondContact O-N 3.31Å; L102-M104 PolarHBondContact O-N 3.34Å; L102-A105 PolarHBondContact O-N 2.7Å; L102-I106 HydrophobicContact CD1-CD1 3.75Å; L102-I106 HydrophobicContact CD1-CG1 3.81Å; L102-I106 HydrophobicContact CD2-CD1 3.98Å; L102-I106 HydrophobicContact CG-CD1 3.5Å; L102-I106 VanDerWaalsContact CG-CD1 3.5Å; L102-I106 HydrophobicContact CG-CG1 3.95Å; L102-I106 WeakPolarHBondContact O-CG1 3.41Å; L102-I106 PolarHBondContact O-N 2.91Å; L102-M154 HydrophobicContact CD1-SD 3.38Å; L102-M154 WeakPolarHBondContact CD1-SD 3.22Å; L102-M154 HydrophobicContact CD2-SD 4.15Å; L102-M154 HydrophobicContact CG-SD 4.42Å; L102-A157 HydrophobicContact CB-CB 4.49Å; L102-A157 HydrophobicContact CD1-CB 4.13Å
103A88.3Confident85.3Confident64 Ų6433.9 Ų33.953%0.52920%0.204SC..Hα-helixtrans-62.8-29173.300000112.8S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.36Å; S99-A103 PolarHBondContact O-N 3.46Å; M100-A103 PolarHBondContact O-N 3.17Å; A103-P107 WeakPolarHBondContact O-CD 3.34Å; A103-P107 WeakPolarHBondContact O-CG 3.46Å
104M84.8Confident85.3Confident27 Ų2738.3 Ų38.313%0.13323%0.226CC..Hα-helixtrans-79.2-45.6170.6-70.4-171.9-107.900112.3F78 I79 M100 N101 L102 L108F78-M104 HydrophobicContact CD1-CE 4.47Å; F78-M104 HydrophobicContact CD1-SD 3.88Å; F78-M104 HydrophobicContact CE1-CE 3.77Å; F78-M104 HydrophobicContact CE1-SD 3.62Å; I79-M104 HydrophobicContact CG1-SD 4.47Å; M100-M104 HydrophobicContact CE-CE 3.7Å; M100-M104 HydrophobicContact CG-CE 3.58Å; M100-M104 PolarHBondContact O-N 3.16Å; M100-M104 VanDerWaalsContact O-N 3.08Å; M100-M104 HydrophobicContact SD-CE 4.3Å; N101-M104 PolarHBondContact O-N 3.31Å; L102-M104 PolarHBondContact O-N 3.34Å; M104-L108 WeakPolarHBondContact O-CD1 3.47Å; M104-L108 WeakPolarHBondContact O-CG 3.29Å
105A86.1Confident85.2Confident2 Ų240.1 Ų40.12%0.01723%0.234CC..Hα-helixtrans-70.7-44.7-171.500000113.5N101 L102 L108 W109 A157 F214N101-A105 VanDerWaalsContact O-CB 3.31Å; N101-A105 WeakPolarHBondContact O-CB 3.38Å; N101-A105 PolarHBondContact O-N 3.38Å; L102-A105 PolarHBondContact O-N 2.7Å; A105-L108 PolarHBondContact O-N 2.9Å; A105-W109 VanDerWaalsContact O-CB 3.31Å; A105-W109 WeakPolarHBondContact O-CB 3.43Å; A105-W109 PolarHBondContact O-N 2.87Å; A105-A157 HydrophobicContact CB-CB 4.23Å; A105-F214 HydrophobicContact CB-CE2 4.36Å; A105-F214 HydrophobicContact CB-CZ 4.17Å
106I86.9Confident84.7Confident82 Ų8240.1 Ų40.142%0.42124%0.235SC..Hα-helixtrans-62.4-50.1-175-66176.9000111.8L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.75Å; L102-I106 HydrophobicContact CD1-CG1 3.81Å; L102-I106 HydrophobicContact CD2-CD1 3.98Å; L102-I106 HydrophobicContact CG-CD1 3.5Å; L102-I106 VanDerWaalsContact CG-CD1 3.5Å; L102-I106 HydrophobicContact CG-CG1 3.95Å; L102-I106 WeakPolarHBondContact O-CG1 3.41Å; L102-I106 PolarHBondContact O-N 2.91Å; I106-L108 VanDerWaalsContact C-N 3.35Å; I106-L108 PolarHBondContact O-N 3.49Å; I106-W109 PolarHBondContact O-N 2.74Å; I106-A110 WeakPolarHBondContact O-CB 3.39Å; I106-A110 PolarHBondContact O-N 3.31Å
107P88.3Confident84.3Confident81 Ų8143.5 Ų43.553%0.52625%0.249SC..Hα-helixtrans-64.9-37.6-178.6-23.936.7000113.1A103 G111A103-P107 WeakPolarHBondContact O-CD 3.34Å; A103-P107 WeakPolarHBondContact O-CG 3.46Å; P107-G111 PolarHBondContact O-N 3.42Å
108L86.8Confident83.7Confident21 Ų2150.7 Ų50.711%0.1127%0.273CS..Hα-helixtrans-65-47178.2-70.9170.3000111.6M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.28Å; M71-L108 HydrophobicContact CG-CD2 4.28Å; M71-L108 HydrophobicContact SD-CD2 3.4Å; M71-L108 WeakPolarHBondContact SD-CD2 3.26Å; L75-L108 HydrophobicContact CD1-CD1 3.45Å; L75-L108 VanDerWaalsContact CD1-CD1 3.45Å; L75-L108 HydrophobicContact CD2-CD1 3.83Å; L75-L108 HydrophobicContact CG-CD1 4.3Å; M104-L108 WeakPolarHBondContact O-CD1 3.47Å; M104-L108 WeakPolarHBondContact O-CG 3.29Å; A105-L108 PolarHBondContact O-N 2.9Å; I106-L108 VanDerWaalsContact C-N 3.35Å; I106-L108 PolarHBondContact O-N 3.49Å; L108-G111 PolarHBondContact O-N 3.07Å; L108-A112 PolarHBondContact O-N 3.41Å; L108-A112 VanDerWaalsContact O-N 3.09Å; L108-F214 HydrophobicContact CD1-CE1 4.09Å; L108-V218 HydrophobicContact CB-CG1 4.45Å
109W85.1Confident82.7Confident40 Ų4049.8 Ų49.815%0.15227%0.273CS..Hα-helixtrans-64.3-47.2176.1172.590.2000111.5A105 I106 G111 A112 V113 L149 L150 P153A105-W109 VanDerWaalsContact O-CB 3.31Å; A105-W109 WeakPolarHBondContact O-CB 3.43Å; A105-W109 PolarHBondContact O-N 2.87Å; I106-W109 PolarHBondContact O-N 2.74Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 2.97Å; W109-A112 PolarHBondContact O-N 3.29Å; W109-A112 VanDerWaalsContact O-N 3.15Å; W109-V113 HydrophobicContact CD2-CG2 4.07Å; W109-V113 HydrophobicContact CH2-CG2 4.38Å; W109-V113 HydrophobicContact CZ2-CG2 3.9Å; W109-V113 WeakPolarHBondContact O-CG2 3.13Å; W109-V113 PolarHBondContact O-N 2.94Å; W109-L149 HydrophobicContact CH2-CD2 4.17Å; W109-L149 HydrophobicContact CZ2-CD2 3.46Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.46Å; W109-L149 HydrophobicContact CZ2-CG 3.93Å; W109-L149 WeakPolarHBondContact CZ2-O 3.41Å; W109-L149 PolarHBondContact NE1-O 2.94Å; W109-L150 HydrophobicContact CH2-CD2 3.67Å; W109-L150 HydrophobicContact CZ2-CD2 4.18Å; W109-P153 HydrophobicContact CB-CB 3.87Å; W109-P153 HydrophobicContact CB-CG 4.34Å; W109-P153 HydrophobicContact CD2-CB 4.33Å; W109-P153 HydrophobicContact CD2-CG 3.81Å; W109-P153 HydrophobicContact CE3-CG 4.4Å; W109-P153 HydrophobicContact CG-CB 3.81Å; W109-P153 HydrophobicContact CG-CG 3.76Å
110A84.2Confident81.8Confident28 Ų2850.1 Ų50.123%0.23126%0.264CS..Hα-helixtrans-60.6-40.7178.800000110.9I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.39Å; I106-A110 PolarHBondContact O-N 3.31Å; A110-V113 PolarHBondContact O-N 3.42Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.08Å; A110-I114 WeakPolarHBondContact O-CD1 3.22Å; A110-I114 WeakPolarHBondContact O-CG1 3.38Å; A110-I114 PolarHBondContact O-N 2.97Å
111G84.4Confident80.6Confident21 Ų2153.4 Ų53.422%0.21628%0.281CS..Hα-helixtrans-59.5-45.8174.400000112.9P107 L108 W109 M115P107-G111 PolarHBondContact O-N 3.42Å; L108-G111 PolarHBondContact O-N 3.07Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 2.97Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.22Å; G111-M115 PolarHBondContact O-N 3.46Å
112A82Confident79.3Confident2 Ų262.4 Ų62.42%0.01732%0.32CS..Hα-helixtrans-63.2-45.9177.200000112L108 W109 M115 G116L108-A112 PolarHBondContact O-N 3.41Å; L108-A112 VanDerWaalsContact O-N 3.09Å; W109-A112 PolarHBondContact O-N 3.29Å; W109-A112 VanDerWaalsContact O-N 3.15Å; A112-M115 PolarHBondContact O-N 3.33Å; A112-G116 PolarHBondContact O-N 3.11Å
113V81.5Confident78.3Confident15 Ų1565.2 Ų65.29%0.09134%0.335CS..Hα-helixtrans-64.9-46.5179.2172.30000111.5W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.07Å; W109-V113 HydrophobicContact CH2-CG2 4.38Å; W109-V113 HydrophobicContact CZ2-CG2 3.9Å; W109-V113 WeakPolarHBondContact O-CG2 3.13Å; W109-V113 PolarHBondContact O-N 2.94Å; A110-V113 PolarHBondContact O-N 3.42Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.26Å; V113-G116 PolarHBondContact O-N 3.42Å; V113-G116 VanDerWaalsContact O-N 3.15Å; V113-F117 HydrophobicContact CG1-CD2 3.64Å; V113-F117 HydrophobicContact CG1-CE2 3.35Å; V113-F117 WeakPolarHBondContact O-CD2 3.3Å; V113-F117 PolarHBondContact O-N 3.16Å
114I83Confident77Confident96 Ų9663.1 Ų63.149%0.49232%0.318SS..Hα-helixtrans-61.3-39.2177-68.4163.9000110.6A110 F117 R118A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.08Å; A110-I114 WeakPolarHBondContact O-CD1 3.22Å; A110-I114 WeakPolarHBondContact O-CG1 3.38Å; A110-I114 PolarHBondContact O-N 2.97Å; I114-F117 PolarHBondContact O-N 2.68Å; I114-R118 HydrophobicContact CG2-CG 4.45Å; I114-R118 WeakPolarHBondContact O-CB 3.4Å; I114-R118 WeakPolarHBondContact O-CG 3.47Å; I114-R118 PolarHBondContact O-N 2.92Å
115M79.3Confident75.9Confident48 Ų4866.3 Ų66.324%0.23634%0.335CS..Hα-helixtrans-66.5-37.1176.4-170.9166.3-178.300112.3W68 G111 A112 V113 R118 S119 L222W68-M115 HydrophobicContact CZ2-SD 3.85Å; W68-M115 PolarHBondContact NE1-SD 3.34Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.22Å; G111-M115 PolarHBondContact O-N 3.46Å; A112-M115 PolarHBondContact O-N 3.33Å; V113-M115 VanDerWaalsContact C-N 3.28Å; V113-M115 PolarHBondContact O-N 3.26Å; M115-R118 PolarHBondContact O-N 2.84Å; M115-S119 WeakPolarHBondContact O-CB 3.38Å; M115-S119 PolarHBondContact O-N 3.34Å; M115-S119 PolarHBondContact O-OG 3.42Å; M115-L222 HydrophobicContact SD-CD1 4.37Å
116G74Confident74.7Confident1 Ų168.8 Ų68.81%0.0136%0.355CS..Hα-helixtrans-60.9-50.7172.500000112.7A112 V113 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 3.11Å; V113-G116 PolarHBondContact O-N 3.42Å; V113-G116 VanDerWaalsContact O-N 3.15Å; G116-R118 VanDerWaalsContact C-N 3.32Å; G116-R118 PolarHBondContact O-N 2.9Å; G116-S119 PolarHBondContact O-N 3.46Å; G116-S119 PolarHBondContact O-OG 3.46Å; G116-K120 PolarHBondContact O-N 3.43Å; G116-N225 VanDerWaalsContact CA-O 3.26Å; G116-N225 WeakPolarHBondContact CA-O 3.39Å
117F75.4Confident73.5Confident80 Ų8070.3 Ų70.335%0.35136%0.36SS..Hα-helixtrans-59.8-40.8175.5-76.9-63.2000112.2V113 I114 I121 A124 L125V113-F117 HydrophobicContact CG1-CD2 3.64Å; V113-F117 HydrophobicContact CG1-CE2 3.35Å; V113-F117 WeakPolarHBondContact O-CD2 3.3Å; V113-F117 PolarHBondContact O-N 3.16Å; I114-F117 PolarHBondContact O-N 2.68Å; F117-I121 WeakPolarHBondContact O-CG1 3.32Å; F117-A124 HydrophobicContact CD1-CB 4.32Å; F117-A124 HydrophobicContact CE1-CB 4.42Å; F117-L125 HydrophobicContact CD1-CD1 4.18Å; F117-L125 HydrophobicContact CE1-CD1 3.8Å
118R74.4Confident72.2Confident219 Ų21968.1 Ų68.183%0.82634%0.342SS*.Hα-helixtrans-70-34.2179.2-74.2-178.769.5-166.81.8113.6I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.45Å; I114-R118 WeakPolarHBondContact O-CB 3.4Å; I114-R118 WeakPolarHBondContact O-CG 3.47Å; I114-R118 PolarHBondContact O-N 2.92Å; M115-R118 PolarHBondContact O-N 2.84Å; G116-R118 VanDerWaalsContact C-N 3.32Å; G116-R118 PolarHBondContact O-N 2.9Å
119S66.4Low70.8Confident50 Ų5070.1 Ų70.135%0.3535%0.353SS..Hα-helixtrans-87.9-39.5-172.873.90000113.4M115 G116 N225M115-S119 WeakPolarHBondContact O-CB 3.38Å; M115-S119 PolarHBondContact O-N 3.34Å; M115-S119 PolarHBondContact O-OG 3.42Å; G116-S119 PolarHBondContact O-N 3.46Å; G116-S119 PolarHBondContact O-OG 3.46Å; S119-N225 PolarHBondContact OG-O 3.36Å
120K66.8Low69.6Low90 Ų9071.6 Ų71.639%0.39137%0.368SS..  trans-147.872.4-176.6-67.2175.2-178.2157.90111.5G116 K122 N123 A124 T226G116-K120 PolarHBondContact O-N 3.43Å; K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 3.3Å; K120-K122 VanDerWaalsContact O-N 3.16Å; K120-N123 HydrophobicContact CB-CB 3.9Å; K120-N123 HydrophobicContact CD-CB 4.23Å; K120-N123 PolarHBondContact O-N 3.42Å; K120-N123 VanDerWaalsContact O-N 3.1Å; K120-A124 WeakPolarHBondContact O-CB 3.49Å; K120-A124 PolarHBondContact O-N 2.86Å; K120-T226 WeakPolarHBondContact CE-O 3.13Å; K120-T226 PolarHBondContact NZ-O 3.37Å; K120-T226 PolarHBondContact NZ-OXT 3.14Å
121I62.9Low68.4Low112 Ų11280 Ų8057%0.57440%0.402SS*.Hα-helixtrans-47.1-48.4177.1-60.2171.4000111.8F117 N123 L125F117-I121 WeakPolarHBondContact O-CG1 3.32Å; I121-N123 PolarHBondContact O-N 3Å; I121-L125 HydrophobicContact CG2-CD1 3.89Å; I121-L125 WeakPolarHBondContact O-CD1 3.43Å; I121-L125 PolarHBondContact O-N 3.22Å
122K60.1Low67.3Low189 Ų18982.9 Ų82.982%0.82243%0.432SS*.Hα-helixtrans-67.2-36.6-176.2-64.5-175.8-179.9-177.50113.5K120 A126K120-K122 VanDerWaalsContact C-N 3.26Å; K120-K122 PolarHBondContact O-N 3.3Å; K120-K122 VanDerWaalsContact O-N 3.16Å; K122-A126 VanDerWaalsContact O-CB 3.25Å; K122-A126 WeakPolarHBondContact O-CB 3.17Å; K122-A126 PolarHBondContact O-N 2.99Å
123N64.6Low66.6Low102 Ų10284.4 Ų84.455%0.54544%0.441SS..Hα-helixtrans-80-36.1-177.9-147.162.8000111.3K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.9Å; K120-N123 HydrophobicContact CD-CB 4.23Å; K120-N123 PolarHBondContact O-N 3.42Å; K120-N123 VanDerWaalsContact O-N 3.1Å; I121-N123 PolarHBondContact O-N 3Å; N123-A126 PolarHBondContact O-N 2.86Å; N123-H127 PolarHBondContact O-N 3.45Å; N123-H127 VanDerWaalsContact O-N 3.09Å
124A61.1Low66.1Low19 Ų1987.3 Ų87.316%0.15746%0.461CS..Hα-helixtrans-63.4-42172.500000111.6F117 K120 H127F117-A124 HydrophobicContact CD1-CB 4.32Å; F117-A124 HydrophobicContact CE1-CB 4.42Å; K120-A124 WeakPolarHBondContact O-CB 3.49Å; K120-A124 PolarHBondContact O-N 2.86Å; A124-H127 PolarHBondContact O-N 3.47Å
125L61.3Low65.7Low94 Ų9488.5 Ų88.549%0.49247%0.472SS..Hα-helixtrans-70.7-31.8174.1-88.781.2000112.9F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.18Å; F117-L125 HydrophobicContact CE1-CD1 3.8Å; I121-L125 HydrophobicContact CG2-CD1 3.89Å; I121-L125 WeakPolarHBondContact O-CD1 3.43Å; I121-L125 PolarHBondContact O-N 3.22Å; L125-H127 VanDerWaalsContact C-N 3.31Å; L125-H127 PolarHBondContact O-N 3.2Å; L125-F128 PolarHBondContact O-N 3.38Å
126A60.7Low65.8Low54 Ų5491.1 Ų91.145%0.44649%0.493SS..Hα-helixtrans-68.8-27.9176.700000112.8K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.25Å; K122-A126 WeakPolarHBondContact O-CB 3.17Å; K122-A126 PolarHBondContact O-N 2.99Å; N123-A126 PolarHBondContact O-N 2.86Å; A126-F128 PolarHBondContact O-N 3.23Å; A126-L129 CarbonylContact O-C 3.56Å; A126-L129 PolarHBondContact O-N 3.31Å; A126-L129 VanDerWaalsContact O-N 3.07Å
127H62Low66Low114 Ų11496 Ų9653%0.52852%0.518SS..THydrogen-bonded Turntrans-64.3-22.7174.8-165.6-70.2000112.8N123 A124 L125 L129 E145N123-H127 PolarHBondContact O-N 3.45Å; N123-H127 VanDerWaalsContact O-N 3.09Å; A124-H127 PolarHBondContact O-N 3.47Å; L125-H127 VanDerWaalsContact C-N 3.31Å; L125-H127 PolarHBondContact O-N 3.2Å; H127-L129 PolarHBondContact O-N 3.29Å; H127-E145 IonicContact CE1-OE1 3.99Å; H127-E145 IonicContact ND1-OE1 3.99Å
128F60.2Low66.2Low35 Ų3594.5 Ų94.515%0.15451%0.513CS..THydrogen-bonded Turntrans-68.8-15173.9-68.8-60.1000113.5L125 A126 L141 E145 T146L125-F128 PolarHBondContact O-N 3.38Å; A126-F128 PolarHBondContact O-N 3.23Å; F128-L141 WeakPolarHBondContact O-CD2 3.27Å; F128-E145 HydrophobicContact CD1-CB 4.15Å; F128-E145 HydrophobicContact CD1-CG 3.77Å; F128-E145 HydrophobicContact CE1-CG 4.42Å; F128-T146 HydrophobicContact CD1-CG2 4.08Å; F128-T146 HydrophobicContact CE1-CG2 3.79Å; F128-T146 HydrophobicContact CZ-CG2 4.29Å
129L58.1Low66.3Low64 Ų6488.1 Ų88.134%0.33550%0.501SS..SBendtrans-122.5112.3175.2-99.978.4000110.9A126 H127 Q131 I138 V142A126-L129 CarbonylContact O-C 3.56Å; A126-L129 PolarHBondContact O-N 3.31Å; A126-L129 VanDerWaalsContact O-N 3.07Å; H127-L129 PolarHBondContact O-N 3.29Å; L129-Q131 PolarHBondContact O-N 3.22Å; L129-I138 HydrophobicContact CD1-CG2 3.95Å; L129-I138 HydrophobicContact CD2-CD1 4.15Å; L129-I138 HydrophobicContact CD2-CG1 4.27Å; L129-I138 HydrophobicContact CD2-CG2 3.79Å; L129-I138 HydrophobicContact CG-CG2 4.12Å; L129-V142 HydrophobicContact CD1-CG2 3.36Å
130P59.1Low67.1Low70 Ų7091.2 Ų91.246%0.45551%0.511SS..  trans-61.7136.5164.619.1-20.3000109.7G132 T133 L141P130-G132 PolarHBondContact O-N 3.05Å; P130-T133 HydrophobicContact CB-CG2 4.47Å; P130-T133 HydrophobicContact CG-CG2 3.71Å; P130-L141 HydrophobicContact CG-CD1 3.89Å; P130-L141 HydrophobicContact CG-CD2 4.03Å
131Q59.2Low67.9Low204 Ų20489.3 Ų89.395%0.95350%0.504SS*.THydrogen-bonded Turntrans-63.8127.5-179-64.1-167.7-2.400110.2L129L129-Q131 PolarHBondContact O-N 3.22Å
132G60.5Low68.7Low82 Ų8286.1 Ų86.185%0.84549%0.49SS*.THydrogen-bonded Turntrans101.410.3176.400000116.2P130P130-G132 PolarHBondContact O-N 3.05Å
133T68.9Low69.8Low35 Ų3581.4 Ų81.422%0.21547%0.473CS..  trans-71.7133.717553.30000112.1P130 L141P130-T133 HydrophobicContact CB-CG2 4.47Å; P130-T133 HydrophobicContact CG-CG2 3.71Å; T133-L141 HydrophobicContact CG2-CD1 3.89Å
134P70.9Confident70.8Confident76 Ų7681 Ų8149%0.49447%0.47SS..  trans-65.4140.6176.929.3-35.5000110.9P136 L137P134-P136 WeakPolarHBondContact O-CD 3.41Å; P134-P136 VanDerWaalsContact O-N 3.11Å; P134-L137 HydrophobicContact CG-CB 4.43Å; P134-L137 HydrophobicContact CG-CD1 3.79Å; P134-L137 HydrophobicContact CG-CG 4.32Å; P134-L137 PolarHBondContact O-N 2.7Å
135T75Confident71.9Confident121 Ų12182.7 Ų82.774%0.74248%0.475SS*.THydrogen-bonded Turntrans-48.9-35.1-171.448.60000117.1I138T135-I138 HydrophobicContact CG2-CD1 4.48Å
136P81.3Confident72.7Confident103 Ų10380.7 Ų80.767%0.66947%0.466SS*.THydrogen-bonded Turntrans-76.1-22.1179.227.5-34.7000114.6P134 P139P134-P136 WeakPolarHBondContact O-CD 3.41Å; P134-P136 VanDerWaalsContact O-N 3.11Å; P136-P139 WeakPolarHBondContact O-CD 3.47Å
137L78.4Confident73.9Confident103 Ų10382 Ų8254%0.53947%0.465SS..THydrogen-bonded Turntrans-88.1-11.2-177.5-69.8175000113.4P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.43Å; P134-L137 HydrophobicContact CG-CD1 3.79Å; P134-L137 HydrophobicContact CG-CG 4.32Å; P134-L137 PolarHBondContact O-N 2.7Å; L137-M140 PolarHBondContact O-N 3.18Å; L137-L141 PolarHBondContact O-N 3.25Å; L137-L141 VanDerWaalsContact O-N 3.13Å
138I77.8Confident74.9Confident48 Ų4879 Ų7925%0.24646%0.457CS..Hα-helixtrans-56-48.5-176.7-64176.6000112.7L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 3.95Å; L129-I138 HydrophobicContact CD2-CD1 4.15Å; L129-I138 HydrophobicContact CD2-CG1 4.27Å; L129-I138 HydrophobicContact CD2-CG2 3.79Å; L129-I138 HydrophobicContact CG-CG2 4.12Å; T135-I138 HydrophobicContact CG2-CD1 4.48Å; I138-M140 VanDerWaalsContact C-N 3.31Å; I138-M140 PolarHBondContact O-N 3.19Å; I138-L141 PolarHBondContact O-N 2.86Å; I138-V142 HydrophobicContact CG2-CG2 4.45Å; I138-V142 WeakPolarHBondContact O-CG2 3.43Å; I138-V142 PolarHBondContact O-N 3.24Å; I138-V142 VanDerWaalsContact O-N 3.15Å
139P78.1Confident75.9Confident86 Ų8679.5 Ų79.556%0.55846%0.461SS*.Hα-helixtrans-64.6-36.9-175.4-20.533.3000112.7P136 I143P136-P139 WeakPolarHBondContact O-CD 3.47Å; P139-I143 WeakPolarHBondContact O-CG1 3.26Å; P139-I143 PolarHBondContact O-N 3.41Å
140M82.1Confident77Confident114 Ų11481.7 Ų81.756%0.56247%0.472SS*.Hα-helixtrans-69.6-41.5178.8-173.364.4-17300111.6L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.18Å; I138-M140 VanDerWaalsContact C-N 3.31Å; I138-M140 PolarHBondContact O-N 3.19Å; M140-I143 PolarHBondContact O-N 3.3Å; M140-I144 HydrophobicContact CE-CD1 3.97Å; M140-I144 HydrophobicContact CE-CG1 4.19Å; M140-I144 HydrophobicContact CG-CD1 4.1Å; M140-I144 WeakPolarHBondContact O-CG1 3.25Å; M140-I144 PolarHBondContact O-N 3.45Å; M140-I144 VanDerWaalsContact O-N 3.09Å
141L83.3Confident78.2Confident50 Ų5083 Ų8326%0.26247%0.474SS..Hα-helixtrans-66.3-40.2-178.2-168149.4000112F128 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.27Å; P130-L141 HydrophobicContact CG-CD1 3.89Å; P130-L141 HydrophobicContact CG-CD2 4.03Å; T133-L141 HydrophobicContact CG2-CD1 3.89Å; L137-L141 PolarHBondContact O-N 3.25Å; L137-L141 VanDerWaalsContact O-N 3.13Å; I138-L141 PolarHBondContact O-N 2.86Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 3.11Å; L141-I144 PolarHBondContact O-N 3.43Å; L141-E145 WeakPolarHBondContact O-CB 3.22Å; L141-E145 PolarHBondContact O-N 2.62Å
142V80.4Confident79.3Confident45 Ų4576.7 Ų76.727%0.27345%0.445SS..Hα-helixtrans-60.4-41.1175.4174.70000111.3L129 I138 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.36Å; I138-V142 HydrophobicContact CG2-CG2 4.45Å; I138-V142 WeakPolarHBondContact O-CG2 3.43Å; I138-V142 PolarHBondContact O-N 3.24Å; I138-V142 VanDerWaalsContact O-N 3.15Å; V142-E145 PolarHBondContact O-N 3.1Å; V142-T146 HydrophobicContact CG1-CG2 4.37Å; V142-T146 WeakPolarHBondContact O-CB 3.42Å; V142-T146 VanDerWaalsContact O-CG2 3.25Å; V142-T146 WeakPolarHBondContact O-CG2 3.26Å; V142-T146 PolarHBondContact O-N 2.94Å; V142-T146 PolarHBondContact O-OG1 3.06Å
143I83.9Confident80.1Confident91 Ų9173.2 Ų73.247%0.46741%0.408SS..Hα-helixtrans-63.6-44.1176.8-66.2167000110.5P139 M140 L141 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.26Å; P139-I143 PolarHBondContact O-N 3.41Å; M140-I143 PolarHBondContact O-N 3.3Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 3.11Å; I143-T146 WeakPolarHBondContact CA-OG1 3.4Å; I143-T146 PolarHBondContact O-OG1 3.3Å; I143-I147 HydrophobicContact CG2-CD1 3.8Å; I143-I147 WeakPolarHBondContact O-CD1 3.38Å; I143-I147 VanDerWaalsContact O-CG1 3.23Å; I143-I147 WeakPolarHBondContact O-CG1 3.37Å; I143-I147 PolarHBondContact O-N 2.95Å
144I84.9Confident80.7Confident92 Ų9275.3 Ų75.347%0.47242%0.416SS..Hα-helixtrans-65.1-43.4179-64.5166000111.1M140 L141 I147 S148M140-I144 HydrophobicContact CE-CD1 3.97Å; M140-I144 HydrophobicContact CE-CG1 4.19Å; M140-I144 HydrophobicContact CG-CD1 4.1Å; M140-I144 WeakPolarHBondContact O-CG1 3.25Å; M140-I144 PolarHBondContact O-N 3.45Å; M140-I144 VanDerWaalsContact O-N 3.09Å; L141-I144 PolarHBondContact O-N 3.43Å; I144-I147 PolarHBondContact O-N 3.07Å; I144-S148 WeakPolarHBondContact O-CB 3.26Å; I144-S148 PolarHBondContact O-N 2.97Å
145E82.8Confident81.4Confident56 Ų5673.6 Ų73.626%0.26241%0.408SS..Hα-helixtrans-67.4-39.5-178.7-168.361.9-161.100111.7H127 F128 L141 V142 I147 S148 L149H127-E145 IonicContact CE1-OE1 3.99Å; H127-E145 IonicContact ND1-OE1 3.99Å; F128-E145 HydrophobicContact CD1-CB 4.15Å; F128-E145 HydrophobicContact CD1-CG 3.77Å; F128-E145 HydrophobicContact CE1-CG 4.42Å; L141-E145 WeakPolarHBondContact O-CB 3.22Å; L141-E145 PolarHBondContact O-N 2.62Å; V142-E145 PolarHBondContact O-N 3.1Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 3.37Å; E145-S148 WeakPolarHBondContact O-CB 3.35Å; E145-S148 PolarHBondContact O-N 2.71Å; E145-L149 WeakPolarHBondContact O-CB 3.3Å; E145-L149 PolarHBondContact O-N 3.33Å
146T80.1Confident81.5Confident51 Ų5168.2 Ų68.231%0.31338%0.375SS..Hα-helixtrans-63.4-38.8173.752.50000112.2F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.08Å; F128-T146 HydrophobicContact CE1-CG2 3.79Å; F128-T146 HydrophobicContact CZ-CG2 4.29Å; V142-T146 HydrophobicContact CG1-CG2 4.37Å; V142-T146 WeakPolarHBondContact O-CB 3.42Å; V142-T146 VanDerWaalsContact O-CG2 3.25Å; V142-T146 WeakPolarHBondContact O-CG2 3.26Å; V142-T146 PolarHBondContact O-N 2.94Å; V142-T146 PolarHBondContact O-OG1 3.06Å; I143-T146 WeakPolarHBondContact CA-OG1 3.4Å; I143-T146 PolarHBondContact O-OG1 3.3Å; T146-L150 WeakPolarHBondContact O-CG 3.49Å; T146-L150 PolarHBondContact O-N 2.91Å
147I84.4Confident81.6Confident83 Ų8363.3 Ų63.343%0.42634%0.343SS..Hα-helixtrans-66.8-43.8173.6-68.1166.5000110.9I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.8Å; I143-I147 WeakPolarHBondContact O-CD1 3.38Å; I143-I147 VanDerWaalsContact O-CG1 3.23Å; I143-I147 WeakPolarHBondContact O-CG1 3.37Å; I143-I147 PolarHBondContact O-N 2.95Å; I144-I147 PolarHBondContact O-N 3.07Å; E145-I147 VanDerWaalsContact C-N 3.34Å; E145-I147 PolarHBondContact O-N 3.37Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.46Å; I147-L150 PolarHBondContact O-N 3.23Å; I147-L150 VanDerWaalsContact O-N 3.15Å; I147-I151 HydrophobicContact CG2-CD1 3.47Å; I147-I151 VanDerWaalsContact CG2-CD1 3.47Å; I147-I151 HydrophobicContact CG2-CG1 4.13Å; I147-I151 WeakPolarHBondContact O-CG1 3.35Å; I147-I151 PolarHBondContact O-N 3.05Å
148S82.9Confident82Confident51 Ų5161.3 Ų61.336%0.35734%0.335SS..Hα-helixtrans-57.6-46.4178.3-176.10000111.7I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.26Å; I144-S148 PolarHBondContact O-N 2.97Å; E145-S148 WeakPolarHBondContact O-CB 3.35Å; E145-S148 PolarHBondContact O-N 2.71Å; S148-L150 VanDerWaalsContact C-N 3.28Å; S148-L150 PolarHBondContact O-N 2.78Å; S148-I151 PolarHBondContact O-N 3.35Å; S148-Q152 PolarHBondContact O-N 2.96Å; S148-Q152 VanDerWaalsContact O-N 3.12Å
149L81.3Confident82.4Confident45 Ų4563.8 Ų63.824%0.23634%0.341CS..Hα-helixtrans-60.3-35.7177.4-173.8120.2000112.3W109 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.17Å; W109-L149 HydrophobicContact CZ2-CD2 3.46Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.46Å; W109-L149 HydrophobicContact CZ2-CG 3.93Å; W109-L149 WeakPolarHBondContact CZ2-O 3.41Å; W109-L149 PolarHBondContact NE1-O 2.94Å; E145-L149 WeakPolarHBondContact O-CB 3.3Å; E145-L149 PolarHBondContact O-N 3.33Å; I147-L149 VanDerWaalsContact C-N 3.34Å; I147-L149 PolarHBondContact O-N 3.46Å; L149-P153 WeakPolarHBondContact O-CD 3.13Å
150L81.1Confident82.5Confident109 Ų10959.7 Ų59.757%0.57132%0.315SS*.Hα-helixtrans-78.3-35.4177.1-71.6173000113.6W109 T146 I147 S148 P153W109-L150 HydrophobicContact CH2-CD2 3.67Å; W109-L150 HydrophobicContact CZ2-CD2 4.18Å; T146-L150 WeakPolarHBondContact O-CG 3.49Å; T146-L150 PolarHBondContact O-N 2.91Å; I147-L150 PolarHBondContact O-N 3.23Å; I147-L150 VanDerWaalsContact O-N 3.15Å; S148-L150 VanDerWaalsContact C-N 3.28Å; S148-L150 PolarHBondContact O-N 2.78Å; L150-P153 WeakPolarHBondContact O-CD 3.09Å; L150-P153 WeakPolarHBondContact O-CG 3.28Å
151I84.5Confident82.6Confident98 Ų9855 Ų5550%0.50329%0.292SS..Hα-helixtrans-72.5-32.2-179.2-69.6173.5000111.2I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.47Å; I147-I151 VanDerWaalsContact CG2-CD1 3.47Å; I147-I151 HydrophobicContact CG2-CG1 4.13Å; I147-I151 WeakPolarHBondContact O-CG1 3.35Å; I147-I151 PolarHBondContact O-N 3.05Å; S148-I151 PolarHBondContact O-N 3.35Å; I151-M154 WeakPolarHBondContact O-CB 3.4Å; I151-M154 PolarHBondContact O-N 3Å; I151-M154 VanDerWaalsContact O-N 3.13Å; I151-A155 HydrophobicContact CG2-CB 4.43Å; I151-A155 WeakPolarHBondContact O-CB 3.48Å; I151-A155 PolarHBondContact O-N 3.26Å
152Q82.1Confident82.7Confident71 Ų7154.5 Ų54.533%0.33230%0.296SS..Hα-helixtrans-51.4-52.6-177.2-112.1174.5-18.100116S148 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 2.96Å; S148-Q152 VanDerWaalsContact O-N 3.12Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 2.94Å; Q152-A155 PolarHBondContact O-N 3.06Å; Q152-L156 PolarHBondContact O-N 3.41Å; Q152-Y221 HydrophobicContact CG-CE1 4.4Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.4Å; Q152-Y221 PolarHBondContact NE2-OH 3.41Å; Q152-Y221 PolarHBondContact OE1-OH 2.64Å
153P77.4Confident83Confident10 Ų1055.2 Ų55.27%0.06530%0.298CS..Hα-helixtrans-64.8-34.3178.224.5-34.9000112.2W109 L149 L150 L156 A157W109-P153 HydrophobicContact CB-CB 3.87Å; W109-P153 HydrophobicContact CB-CG 4.34Å; W109-P153 HydrophobicContact CD2-CB 4.33Å; W109-P153 HydrophobicContact CD2-CG 3.81Å; W109-P153 HydrophobicContact CE3-CG 4.4Å; W109-P153 HydrophobicContact CG-CB 3.81Å; W109-P153 HydrophobicContact CG-CG 3.76Å; L149-P153 WeakPolarHBondContact O-CD 3.13Å; L150-P153 WeakPolarHBondContact O-CD 3.09Å; L150-P153 WeakPolarHBondContact O-CG 3.28Å; P153-L156 PolarHBondContact O-N 3.33Å; P153-A157 PolarHBondContact O-N 3.4Å; P153-A157 VanDerWaalsContact O-N 3.15Å
154M82.9Confident83.1Confident78 Ų7851.1 Ų51.138%0.38428%0.277SS..Hα-helixtrans-66.3-46.2175.2-168.668.9-172.800111.1L98 L102 I151 Q152 L156 A157 V158L98-M154 HydrophobicContact CD2-CE 4.14Å; L102-M154 HydrophobicContact CD1-SD 3.38Å; L102-M154 WeakPolarHBondContact CD1-SD 3.22Å; L102-M154 HydrophobicContact CD2-SD 4.15Å; L102-M154 HydrophobicContact CG-SD 4.42Å; I151-M154 WeakPolarHBondContact O-CB 3.4Å; I151-M154 PolarHBondContact O-N 3Å; I151-M154 VanDerWaalsContact O-N 3.13Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 2.94Å; M154-L156 VanDerWaalsContact C-N 3.27Å; M154-L156 PolarHBondContact O-N 2.96Å; M154-A157 PolarHBondContact O-N 3Å; M154-V158 HydrophobicContact CE-CG2 4.25Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.11Å; M154-V158 PolarHBondContact O-N 3.09Å
155A84.1Confident83.2Confident41 Ų4148.5 Ų48.534%0.33927%0.265SS..Hα-helixtrans-61.5-36.8178.400000111.9I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.43Å; I151-A155 WeakPolarHBondContact O-CB 3.48Å; I151-A155 PolarHBondContact O-N 3.26Å; Q152-A155 PolarHBondContact O-N 3.06Å; A155-R159 WeakPolarHBondContact O-CB 3.3Å; A155-R159 PolarHBondContact O-N 3.44Å
156L78.3Confident83.4Confident7 Ų748.4 Ų48.44%0.03727%0.274CS..Hα-helixtrans-63.7-47.9175.2-168.479.8000111.9Q152 P153 M154 R159 L160 F214 L217 V218Q152-L156 PolarHBondContact O-N 3.41Å; P153-L156 PolarHBondContact O-N 3.33Å; M154-L156 VanDerWaalsContact C-N 3.27Å; M154-L156 PolarHBondContact O-N 2.96Å; L156-R159 PolarHBondContact O-N 2.72Å; L156-L160 PolarHBondContact O-N 3.34Å; L156-F214 HydrophobicContact CD1-CB 4.46Å; L156-F214 HydrophobicContact CD1-CD2 4.1Å; L156-F214 HydrophobicContact CD1-CG 4.46Å; L156-F214 HydrophobicContact CD2-CD1 4.12Å; L156-F214 HydrophobicContact CD2-CD2 3.23Å; L156-F214 HydrophobicContact CD2-CE1 4.09Å; L156-F214 HydrophobicContact CD2-CE2 3.19Å; L156-F214 HydrophobicContact CD2-CG 3.71Å; L156-F214 HydrophobicContact CD2-CZ 3.64Å; L156-F214 HydrophobicContact CG-CD2 3.4Å; L156-F214 HydrophobicContact CG-CE2 3.66Å; L156-F214 HydrophobicContact CG-CG 4.12Å; L156-L217 HydrophobicContact CD1-CB 4.22Å; L156-L217 HydrophobicContact CD1-CD1 3.4Å; L156-L217 VanDerWaalsContact CD1-CD1 3.4Å; L156-L217 HydrophobicContact CD1-CG 4.43Å; L156-V218 HydrophobicContact CD2-CG2 4.44Å
157A82.5Confident83.7Confident0 Ų046.2 Ų46.20%026%0.261CS..Hα-helixtrans-62.8-44.4178.800000111.8L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.38Å; N101-A157 HydrophobicContact CB-CB 3.93Å; N101-A157 PolarHBondContact ND2-O 3.23Å; L102-A157 HydrophobicContact CB-CB 4.49Å; L102-A157 HydrophobicContact CD1-CB 4.13Å; A105-A157 HydrophobicContact CB-CB 4.23Å; P153-A157 PolarHBondContact O-N 3.4Å; P153-A157 VanDerWaalsContact O-N 3.15Å; M154-A157 PolarHBondContact O-N 3Å; A157-R159 VanDerWaalsContact C-N 3.35Å; A157-R159 PolarHBondContact O-N 2.87Å; A157-L160 PolarHBondContact O-N 3.46Å; A157-T161 PolarHBondContact O-N 2.9Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 3.39Å
158V86.3Confident83.9Confident61 Ų6143.8 Ų43.837%0.3725%0.248SC..Hα-helixtrans-63.8-39177.2172.90000111.4L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.89Å; M154-V158 HydrophobicContact CE-CG2 4.25Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.11Å; M154-V158 PolarHBondContact O-N 3.09Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 3.32Å; V158-T161 WeakPolarHBondContact CA-OG1 3.39Å; V158-T161 PolarHBondContact O-N 3.49Å; V158-T161 PolarHBondContact O-OG1 3.36Å; V158-A162 WeakPolarHBondContact O-CB 3.47Å; V158-A162 PolarHBondContact O-N 3.18Å
159R86.6Confident84.1Confident100 Ų10043.3 Ų43.338%0.37724%0.242SC..Hα-helixtrans-61-42.7177.6-168.8-172.8-61.9153.81.7111.7A155 L156 A157 N163 Q210A155-R159 WeakPolarHBondContact O-CB 3.3Å; A155-R159 PolarHBondContact O-N 3.44Å; L156-R159 PolarHBondContact O-N 2.72Å; A157-R159 VanDerWaalsContact C-N 3.35Å; A157-R159 PolarHBondContact O-N 2.87Å; R159-N163 WeakPolarHBondContact O-CB 3.46Å; R159-N163 VanDerWaalsContact O-CG 3.27Å; R159-N163 PolarHBondContact O-N 2.95Å; R159-Q210 VanDerWaalsContact C-NE2 3.27Å; R159-Q210 VanDerWaalsContact CG-NE2 3.29Å
160L81.1Confident84.5Confident1 Ų145 Ų451%0.00525%0.25CS..Hα-helixtrans-67-44.1179.3179.968.9000111I79 N83 T95 N101 L156 A157 V158 I164 Q210I79-L160 HydrophobicContact CG2-CD1 4.06Å; I79-L160 HydrophobicContact CG2-CD2 4.17Å; N83-L160 WeakPolarHBondContact ND2-CD1 3.43Å; T95-L160 HydrophobicContact CG2-CD2 4.43Å; N101-L160 HydrophobicContact CB-CD2 4.34Å; N101-L160 VanDerWaalsContact CG-CD2 3.44Å; N101-L160 WeakPolarHBondContact ND2-CB 2.98Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.34Å; N101-L160 VanDerWaalsContact ND2-CG 3.35Å; N101-L160 WeakPolarHBondContact ND2-CG 3.47Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.48Å; L156-L160 PolarHBondContact O-N 3.34Å; A157-L160 PolarHBondContact O-N 3.46Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 3.32Å; L160-I164 HydrophobicContact CD1-CD1 3.76Å; L160-I164 HydrophobicContact CG-CD1 4.23Å; L160-I164 WeakPolarHBondContact O-CG1 3.27Å; L160-I164 PolarHBondContact O-N 3.47Å; L160-Q210 VanDerWaalsContact CA-NE2 3.3Å; L160-Q210 HydrophobicContact CB-CG 4.25Å; L160-Q210 HydrophobicContact CD1-CB 4.35Å; L160-Q210 HydrophobicContact CD1-CG 3.41Å; L160-Q210 VanDerWaalsContact CD1-CG 3.41Å; L160-Q210 HydrophobicContact CG-CG 4.42Å
161T84.6Confident85Confident14 Ų1441.1 Ų41.19%0.08623%0.23CC..Hα-helixtrans-65.8-46.1177.348.70000112.3T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.38Å; L98-T161 VanDerWaalsContact CA-CG2 3.46Å; L98-T161 HydrophobicContact CB-CG2 4.04Å; L98-T161 HydrophobicContact CD1-CG2 4.01Å; N101-T161 HydrophobicContact CB-CG2 4.31Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.35Å; N101-T161 PolarHBondContact ND2-N 3.03Å; A157-T161 PolarHBondContact O-N 2.9Å; A157-T161 VanDerWaalsContact O-N 3.13Å; A157-T161 PolarHBondContact O-OG1 3.39Å; V158-T161 WeakPolarHBondContact CA-OG1 3.39Å; V158-T161 PolarHBondContact O-N 3.49Å; V158-T161 PolarHBondContact O-OG1 3.36Å; T161-N163 PolarHBondContact O-N 3.49Å; T161-I164 PolarHBondContact O-N 2.87Å; T161-T165 VanDerWaalsContact O-CB 3.3Å; T161-T165 WeakPolarHBondContact O-CB 3.4Å; T161-T165 VanDerWaalsContact O-CG2 3.22Å; T161-T165 WeakPolarHBondContact O-CG2 3.21Å; T161-T165 PolarHBondContact O-N 3.37Å; T161-T165 PolarHBondContact O-OG1 3.48Å
162A84.4Confident85.2Confident41 Ų4140.2 Ų40.234%0.33922%0.223SC..Hα-helixtrans-63.9-43.9-172.800000111V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.47Å; V158-A162 PolarHBondContact O-N 3.18Å; A162-T165 PolarHBondContact O-OG1 3.33Å; A162-A166 WeakPolarHBondContact O-CB 3.27Å; A162-A166 PolarHBondContact O-N 3.17Å
163N87.6Confident85.5Confident59 Ų5941 Ų4132%0.31623%0.229SC..Hα-helixtrans-63.8-49.3-179.7-69.2-4.8000111.3R159 T161 G167 V206R159-N163 WeakPolarHBondContact O-CB 3.46Å; R159-N163 VanDerWaalsContact O-CG 3.27Å; R159-N163 PolarHBondContact O-N 2.95Å; T161-N163 PolarHBondContact O-N 3.49Å; N163-G167 PolarHBondContact O-N 3.43Å; N163-V206 HydrophobicContact CB-CG1 4.07Å
164I84.8Confident86.2Confident5 Ų542.1 Ų42.13%0.02623%0.234CC..Hα-helixtrans-70-40-176.6-59.5173.4000111.4N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.27Å; N83-I164 VanDerWaalsContact CG-CD1 3.43Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.18Å; T93-I164 HydrophobicContact CG2-CG2 4.22Å; T95-I164 VanDerWaalsContact OG1-CD1 3.28Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.43Å; T96-I164 HydrophobicContact CG2-CB 4.34Å; T96-I164 HydrophobicContact CG2-CG2 3.65Å; L160-I164 HydrophobicContact CD1-CD1 3.76Å; L160-I164 HydrophobicContact CG-CD1 4.23Å; L160-I164 WeakPolarHBondContact O-CG1 3.27Å; L160-I164 PolarHBondContact O-N 3.47Å; T161-I164 PolarHBondContact O-N 2.87Å; I164-H168 PolarHBondContact O-CD2 3.27Å; I164-H168 PolarHBondContact O-N 3.5Å; I164-H168 VanDerWaalsContact O-N 3.09Å
165T86.9Confident86.5Confident37 Ų3739.6 Ų39.623%0.22723%0.228CC..Hα-helixtrans-66.8-46.1177.252.80000111.9F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.38Å; F9-T165 HydrophobicContact CE1-CG2 4.05Å; T96-T165 HydrophobicContact CG2-CG2 3.73Å; T161-T165 VanDerWaalsContact O-CB 3.3Å; T161-T165 WeakPolarHBondContact O-CB 3.4Å; T161-T165 VanDerWaalsContact O-CG2 3.22Å; T161-T165 WeakPolarHBondContact O-CG2 3.21Å; T161-T165 PolarHBondContact O-N 3.37Å; T161-T165 PolarHBondContact O-OG1 3.48Å; A162-T165 PolarHBondContact O-OG1 3.33Å; T165-H168 PolarHBondContact O-N 3Å; T165-L169 WeakPolarHBondContact O-CB 3.37Å; T165-L169 WeakPolarHBondContact O-CG 3.07Å; T165-L169 PolarHBondContact O-N 3.44Å
166A87.1Confident86.7Confident54 Ų5439.9 Ų39.945%0.44623%0.227SC..Hα-helixtrans-64-43.3178.300000111.3A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.27Å; A162-A166 PolarHBondContact O-N 3.17Å; A166-L169 PolarHBondContact O-N 3.24Å; A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.39Å; A166-L170 PolarHBondContact O-N 3.01Å
167G87.6Confident87.2Confident5 Ų541.3 Ų41.35%0.05224%0.241CC..Hα-helixtrans-58.3-48.6176.500000112.6N163 L170 M171 E203N163-G167 PolarHBondContact O-N 3.43Å; G167-L170 PolarHBondContact O-N 3.07Å; G167-M171 WeakPolarHBondContact O-CB 3.43Å; G167-M171 WeakPolarHBondContact O-CG 3.38Å; G167-M171 PolarHBondContact O-N 2.83Å; G167-E203 WeakPolarHBondContact CA-OE2 3.37Å
168H87.7Confident87.6Confident32 Ų3242.2 Ų42.215%0.14825%0.246CC..Hα-helixtrans-62.5-43.1176.2-91.6-90.3000113.4F9 G86 I164 T165 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.16Å; F9-H168 HydrophobicContact CZ-CB 3.88Å; G86-H168 PolarHBondContact O-CE1 3.24Å; G86-H168 PolarHBondContact O-NE2 2.84Å; I164-H168 PolarHBondContact O-CD2 3.27Å; I164-H168 PolarHBondContact O-N 3.5Å; I164-H168 VanDerWaalsContact O-N 3.09Å; T165-H168 PolarHBondContact O-N 3Å; H168-L170 VanDerWaalsContact C-N 3.33Å; H168-M171 PolarHBondContact O-N 3.23Å; H168-H172 PolarHBondContact O-N 3.15Å
169L87.8Confident87.7Confident42 Ų4245.4 Ų45.422%0.2226%0.26CS..Hα-helixtrans-62.1-42.6175.8-77.6170.7000111.4L5 F6 F9 T165 A166 H172 L173L5-L169 HydrophobicContact CB-CD2 4.27Å; F6-L169 HydrophobicContact CD1-CD2 4.48Å; F6-L169 HydrophobicContact CE1-CD1 4.09Å; F6-L169 HydrophobicContact CE1-CD2 4.12Å; F6-L169 HydrophobicContact CZ-CD2 4.46Å; F9-L169 HydrophobicContact CE2-CD1 4.42Å; F9-L169 HydrophobicContact CE2-CD2 3.72Å; F9-L169 HydrophobicContact CE2-CG 3.79Å; F9-L169 HydrophobicContact CZ-CD2 4.36Å; F9-L169 HydrophobicContact CZ-CG 3.96Å; T165-L169 WeakPolarHBondContact O-CB 3.37Å; T165-L169 WeakPolarHBondContact O-CG 3.07Å; T165-L169 PolarHBondContact O-N 3.44Å; A166-L169 PolarHBondContact O-N 3.24Å; L169-H172 PolarHBondContact O-N 3.32Å; L169-L173 WeakPolarHBondContact O-CB 3.3Å; L169-L173 VanDerWaalsContact O-CG 3.32Å; L169-L173 WeakPolarHBondContact O-CG 3.39Å; L169-L173 PolarHBondContact O-N 3.12Å
170L89.7Confident87.8Confident79 Ų7942.9 Ų42.941%0.41426%0.261SS..Hα-helixtrans-67.7-41.6-179.2-154.2155000111A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.27Å; A166-L170 WeakPolarHBondContact O-CB 3.39Å; A166-L170 PolarHBondContact O-N 3.01Å; G167-L170 PolarHBondContact O-N 3.07Å; H168-L170 VanDerWaalsContact C-N 3.33Å; L170-H172 VanDerWaalsContact C-N 3.34Å; L170-H172 PolarHBondContact O-N 3.32Å; L170-L173 PolarHBondContact O-N 3.5Å; L170-I174 HydrophobicContact CD2-CD1 3.45Å; L170-I174 VanDerWaalsContact CD2-CD1 3.45Å; L170-I174 HydrophobicContact CD2-CG1 4.01Å; L170-I174 WeakPolarHBondContact O-CG1 3.35Å; L170-I174 PolarHBondContact O-N 2.94Å; L170-L199 HydrophobicContact CB-CD2 4.33Å; L170-L199 HydrophobicContact CD2-CD1 3.69Å; L170-L199 HydrophobicContact CD2-CD2 3.24Å; L170-L199 HydrophobicContact CD2-CG 4.08Å; L170-L199 HydrophobicContact CG-CD2 4.36Å
171M90.3Very high88.1Confident29 Ų2945.8 Ų45.814%0.14328%0.275CS..Hα-helixtrans-59.5-42.9172.2-74.7-173.2-68.900111.9L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 3.96Å; G167-M171 WeakPolarHBondContact O-CB 3.43Å; G167-M171 WeakPolarHBondContact O-CG 3.38Å; G167-M171 PolarHBondContact O-N 2.83Å; H168-M171 PolarHBondContact O-N 3.23Å; M171-G175 PolarHBondContact O-N 3.41Å; M171-L199 HydrophobicContact CB-CD2 4.31Å; M171-L199 HydrophobicContact CG-CD2 3.56Å; M171-L199 HydrophobicContact CG-CG 4.18Å; M171-T200 HydrophobicContact CG-CG2 4.5Å; M171-T200 HydrophobicContact SD-CG2 3.8Å; M171-E203 HydrophobicContact CE-CG 4.19Å
172H88.9Confident88.3Confident79 Ų7948.2 Ų48.237%0.36629%0.293SS..Hα-helixtrans-67.4-42.3178.1-167.5-62.6000112.3E3 L5 H168 L169 L170 G175 S176E3-H172 IonicContact OE2-CE1 3.81Å; L5-H172 VanDerWaalsContact CD2-CE1 3.41Å; L5-H172 WeakPolarHBondContact CD2-CE1 3.37Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.09Å; H168-H172 PolarHBondContact O-N 3.15Å; L169-H172 PolarHBondContact O-N 3.32Å; L170-H172 VanDerWaalsContact C-N 3.34Å; L170-H172 PolarHBondContact O-N 3.32Å; H172-G175 PolarHBondContact O-N 3.39Å; H172-S176 PolarHBondContact O-N 3.27Å; H172-S176 PolarHBondContact O-OG 3.24Å
173L89.9Confident88.4Confident88 Ų8852 Ų5246%0.46131%0.312SS..Hα-helixtrans-63.5-47.8178.5-74.6171.3000111.3L5 L169 L170 G175 S176 A177L5-L173 HydrophobicContact CD1-CD2 3.9Å; L5-L173 HydrophobicContact CD2-CD2 4.42Å; L169-L173 WeakPolarHBondContact O-CB 3.3Å; L169-L173 VanDerWaalsContact O-CG 3.32Å; L169-L173 WeakPolarHBondContact O-CG 3.39Å; L169-L173 PolarHBondContact O-N 3.12Å; L170-L173 PolarHBondContact O-N 3.5Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.35Å; L173-S176 PolarHBondContact O-N 2.95Å; L173-S176 PolarHBondContact O-OG 3.32Å; L173-A177 WeakPolarHBondContact O-CB 3.34Å; L173-A177 PolarHBondContact O-N 3.01Å
174I90.9Very high88.4Confident33 Ų3354.1 Ų54.117%0.16932%0.322CS..Hα-helixtrans-64.9-39.3176.4-64.5-172.5000110.7L170 S176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.45Å; L170-I174 VanDerWaalsContact CD2-CD1 3.45Å; L170-I174 HydrophobicContact CD2-CG1 4.01Å; L170-I174 WeakPolarHBondContact O-CG1 3.35Å; L170-I174 PolarHBondContact O-N 2.94Å; I174-S176 PolarHBondContact O-N 3.49Å; I174-A177 WeakPolarHBondContact O-CB 3.26Å; I174-A177 PolarHBondContact O-N 3.06Å; I174-T178 HydrophobicContact CG2-CG2 4.4Å; I174-T178 WeakPolarHBondContact O-CG2 3.49Å; I174-T178 PolarHBondContact O-N 2.93Å; I174-T178 PolarHBondContact O-OG1 3.35Å; I174-I192 HydrophobicContact CG2-CG2 3.79Å; I174-I195 HydrophobicContact CD1-CG2 4Å; I174-L196 HydrophobicContact CB-CD1 4.18Å; I174-L196 HydrophobicContact CG2-CB 3.92Å; I174-L196 HydrophobicContact CG2-CD1 3.97Å; I174-L199 HydrophobicContact CD1-CD2 4.15Å
175G89.8Confident88.6Confident24 Ų2458.4 Ų58.425%0.24735%0.345CS..Hα-helixtrans-61.4-39.5174.700000113.6M171 H172 L173 A177 T178 L179M171-G175 PolarHBondContact O-N 3.41Å; H172-G175 PolarHBondContact O-N 3.39Å; L173-G175 VanDerWaalsContact C-N 3.33Å; L173-G175 PolarHBondContact O-N 3.35Å; G175-A177 VanDerWaalsContact C-N 3.35Å; G175-T178 PolarHBondContact O-OG1 3.2Å; G175-L179 WeakPolarHBondContact O-CB 3.26Å; G175-L179 PolarHBondContact O-N 2.94Å; G175-L179 VanDerWaalsContact O-N 3.15Å
176S88.6Confident88.6Confident47 Ų4763.6 Ų63.633%0.32937%0.371SS..Hα-helixtrans-68.1-36.7173.870.70000111.8H172 L173 I174 L179 A180H172-S176 PolarHBondContact O-N 3.27Å; H172-S176 PolarHBondContact O-OG 3.24Å; L173-S176 PolarHBondContact O-N 2.95Å; L173-S176 PolarHBondContact O-OG 3.32Å; I174-S176 PolarHBondContact O-N 3.49Å; S176-L179 PolarHBondContact O-N 3.03Å; S176-A180 WeakPolarHBondContact O-CB 3.32Å; S176-A180 PolarHBondContact O-N 3.03Å
177A88.1Confident88.7Confident38 Ų3865.5 Ų65.531%0.31438%0.378SS..Hα-helixtrans-68.4-40.5176.500000112.3L173 I174 G175 L179 A180 M181L173-A177 WeakPolarHBondContact O-CB 3.34Å; L173-A177 PolarHBondContact O-N 3.01Å; I174-A177 WeakPolarHBondContact O-CB 3.26Å; I174-A177 PolarHBondContact O-N 3.06Å; G175-A177 VanDerWaalsContact C-N 3.35Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 2.87Å; A177-A180 PolarHBondContact O-N 3.33Å; A177-M181 WeakPolarHBondContact O-CB 3.34Å; A177-M181 WeakPolarHBondContact O-CG 3.31Å; A177-M181 PolarHBondContact O-N 3.45Å
178T90.5Very high88.7Confident19 Ų1967 Ų6712%0.11739%0.388CS..Hα-helixtrans-61.9-42.2174.1560000110.9I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.4Å; I174-T178 WeakPolarHBondContact O-CG2 3.49Å; I174-T178 PolarHBondContact O-N 2.93Å; I174-T178 PolarHBondContact O-OG1 3.35Å; G175-T178 PolarHBondContact O-OG1 3.2Å; T178-M181 PolarHBondContact O-N 3.28Å; T178-S182 WeakPolarHBondContact O-CB 3.45Å; T178-S182 PolarHBondContact O-N 3.01Å; T178-I192 HydrophobicContact CG2-CB 3.85Å; T178-I192 HydrophobicContact CG2-CG2 3.36Å
179L89.5Confident88.9Confident127 Ų12766.6 Ų66.667%0.66539%0.388SS*.Hα-helixtrans-66.4-42.7179.5-163.3141.6000111.6G175 S176 A177 S182G175-L179 WeakPolarHBondContact O-CB 3.26Å; G175-L179 PolarHBondContact O-N 2.94Å; G175-L179 VanDerWaalsContact O-N 3.15Å; S176-L179 PolarHBondContact O-N 3.03Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 2.87Å; L179-S182 WeakPolarHBondContact O-CB 3.41Å; L179-S182 PolarHBondContact O-N 2.75Å; L179-S182 PolarHBondContact O-OG 2.9Å
180A88.3Confident89.1Confident48 Ų4870.4 Ų70.440%0.39741%0.408SS..Hα-helixtrans-62.9-45.2174.400000112.2S176 A177 S182 T183S176-A180 WeakPolarHBondContact O-CB 3.32Å; S176-A180 PolarHBondContact O-N 3.03Å; A177-A180 PolarHBondContact O-N 3.33Å; A180-S182 VanDerWaalsContact C-N 3.28Å; A180-S182 PolarHBondContact O-N 2.99Å; A180-T183 PolarHBondContact O-N 3.07Å; A180-T183 PolarHBondContact O-OG1 2.86Å
181M87.4Confident89.2Confident62 Ų6271.6 Ų71.631%0.30541%0.414SS..Hα-helixtrans-69.7-24.7-179-68.9-66.2116.100113.4A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.34Å; A177-M181 WeakPolarHBondContact O-CG 3.31Å; A177-M181 PolarHBondContact O-N 3.45Å; T178-M181 PolarHBondContact O-N 3.28Å; M181-T183 PolarHBondContact O-N 3.37Å; M181-T183 VanDerWaalsContact O-N 3.16Å; M181-I184 HydrophobicContact CE-CD1 3.56Å; M181-I184 PolarHBondContact O-N 3.35Å; M181-I184 HydrophobicContact SD-CD1 4.16Å; M181-N185 PolarHBondContact O-N 3Å; M181-N185 VanDerWaalsContact O-N 3.08Å; M181-T189 PolarHBondContact O-OG1 2.9Å; M181-T189 VanDerWaalsContact O-OG1 3.08Å; M181-I192 HydrophobicContact CB-CD1 4.18Å; M181-I192 HydrophobicContact CG-CD1 3.65Å
182S87.4Confident89.3Confident64 Ų6472.1 Ų72.145%0.44842%0.417SS..Hα-helixtrans-57.8-29.3177.376.80000112.9T178 L179 A180 T189T178-S182 WeakPolarHBondContact O-CB 3.45Å; T178-S182 PolarHBondContact O-N 3.01Å; L179-S182 WeakPolarHBondContact O-CB 3.41Å; L179-S182 PolarHBondContact O-N 2.75Å; L179-S182 PolarHBondContact O-OG 2.9Å; A180-S182 VanDerWaalsContact C-N 3.28Å; A180-S182 PolarHBondContact O-N 2.99Å; S182-T189 VanDerWaalsContact CA-OG1 3.31Å; S182-T189 WeakPolarHBondContact CA-OG1 3.42Å; S182-T189 PolarHBondContact N-OG1 3.46Å
183T87.1Confident89.5Confident120 Ų12073.5 Ų73.574%0.73642%0.422SS*.THydrogen-bonded Turntrans-81.7-18.7178.766.30000113.6A180 M181A180-T183 PolarHBondContact O-N 3.07Å; A180-T183 PolarHBondContact O-OG1 2.86Å; M181-T183 PolarHBondContact O-N 3.37Å; M181-T183 VanDerWaalsContact O-N 3.16Å
184I87.6Confident89.7Confident104 Ų10472.8 Ų72.853%0.53342%0.421SS..THydrogen-bonded Turntrans-99-60.7-172.9-59.3168.5000110.2M181M181-I184 HydrophobicContact CE-CD1 3.56Å; M181-I184 PolarHBondContact O-N 3.35Å; M181-I184 HydrophobicContact SD-CD1 4.16Å
185N88.4Confident89.9Confident95 Ų9575.1 Ų75.151%0.50843%0.433SS..  trans-146.9125.9-172.7-83.3-22.5000111.4M181 S188 T189M181-N185 PolarHBondContact O-N 3Å; M181-N185 VanDerWaalsContact O-N 3.08Å; N185-S188 VanDerWaalsContact CB-OG 3.25Å; N185-S188 WeakPolarHBondContact CB-OG 3.48Å; N185-S188 PolarHBondContact O-OG 3.46Å; N185-T189 PolarHBondContact O-N 2.99Å; N185-T189 PolarHBondContact O-OG1 2.97Å
186L87.5Confident90Very high146 Ų14675.4 Ų75.476%0.76443%0.429SS*.Hα-helixtrans-63.1-45.4177.3-158.983000114.4S188 T189 L190L186-S188 PolarHBondContact O-N 3.29Å; L186-T189 WeakPolarHBondContact O-CB 3.5Å; L186-T189 PolarHBondContact O-N 3.47Å; L186-L190 PolarHBondContact O-N 3.3Å; L186-L190 VanDerWaalsContact O-N 3.14Å
187P89.1Confident90.2Very high94 Ų9476.9 Ų76.961%0.6143%0.432SS*.Hα-helixtrans-68.6-36.8-175.125-33.1000113T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.33Å; P187-L190 PolarHBondContact O-N 2.85Å; P187-I191 WeakPolarHBondContact O-CG1 3.37Å; P187-I191 PolarHBondContact O-N 2.98Å
188S87.6Confident90.5Very high37 Ų3780.9 Ų80.926%0.25945%0.448SS..Hα-helixtrans-67-35.7174.3510000112N185 L186 L190 I191 I192N185-S188 VanDerWaalsContact CB-OG 3.25Å; N185-S188 WeakPolarHBondContact CB-OG 3.48Å; N185-S188 PolarHBondContact O-OG 3.46Å; L186-S188 PolarHBondContact O-N 3.29Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 3.45Å; S188-I191 PolarHBondContact O-N 3.34Å; S188-I192 WeakPolarHBondContact O-CG1 3.28Å; S188-I192 PolarHBondContact O-N 2.82Å; S188-I192 VanDerWaalsContact O-N 3.11Å
189T91.8Very high90.7Very high24 Ų2481 Ų8115%0.14745%0.448CS..Hα-helixtrans-61.8-41.6175.6-58.80000111.3M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 2.9Å; M181-T189 VanDerWaalsContact O-OG1 3.08Å; S182-T189 VanDerWaalsContact CA-OG1 3.31Å; S182-T189 WeakPolarHBondContact CA-OG1 3.42Å; S182-T189 PolarHBondContact N-OG1 3.46Å; N185-T189 PolarHBondContact O-N 2.99Å; N185-T189 PolarHBondContact O-OG1 2.97Å; L186-T189 WeakPolarHBondContact O-CB 3.5Å; L186-T189 PolarHBondContact O-N 3.47Å; P187-T189 VanDerWaalsContact C-N 3.33Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.31Å; T189-I192 PolarHBondContact O-N 3.14Å; T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.48Å; T189-F193 PolarHBondContact O-N 3.45Å
190L91.7Very high90.7Very high121 Ų12177.4 Ų77.463%0.63443%0.431SS*.Hα-helixtrans-59.9-42.3177.1-159.594.6000111.6L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 3.3Å; L186-L190 VanDerWaalsContact O-N 3.14Å; P187-L190 PolarHBondContact O-N 2.85Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 3.45Å; L190-F193 PolarHBondContact O-N 2.93Å; L190-T194 WeakPolarHBondContact O-CG2 3.5Å; L190-T194 PolarHBondContact O-N 3.43Å; L190-T194 PolarHBondContact O-OG1 3.32Å
191I93Very high90.9Very high104 Ų10480 Ų8053%0.53344%0.437SS..Hα-helixtrans-64.8-44.4179-63.2165.5000111.1P187 S188 T189 F193 T194 I195P187-I191 WeakPolarHBondContact O-CG1 3.37Å; P187-I191 PolarHBondContact O-N 2.98Å; S188-I191 PolarHBondContact O-N 3.34Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.31Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.27Å; I191-T194 PolarHBondContact O-N 2.88Å; I191-T194 PolarHBondContact O-OG1 2.63Å; I191-I195 HydrophobicContact CG2-CD1 4.31Å; I191-I195 WeakPolarHBondContact O-CG1 3.41Å; I191-I195 PolarHBondContact O-N 3.37Å
192I93.1Very high91.1Very high40 Ų4081.9 Ų81.921%0.20545%0.448CS..Hα-helixtrans-70.7-33.7-180-56.9166.7000110.2I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.79Å; T178-I192 HydrophobicContact CG2-CB 3.85Å; T178-I192 HydrophobicContact CG2-CG2 3.36Å; M181-I192 HydrophobicContact CB-CD1 4.18Å; M181-I192 HydrophobicContact CG-CD1 3.65Å; S188-I192 WeakPolarHBondContact O-CG1 3.28Å; S188-I192 PolarHBondContact O-N 2.82Å; S188-I192 VanDerWaalsContact O-N 3.11Å; T189-I192 PolarHBondContact O-N 3.14Å; I192-I195 WeakPolarHBondContact O-CB 3.35Å; I192-I195 PolarHBondContact O-N 2.95Å; I192-L196 PolarHBondContact O-N 3.49Å
193F92.6Very high91.3Very high108 Ų10879.5 Ų79.547%0.47443%0.429SS..Hα-helixtrans-66.1-39.2175.2-173.9-106.1000112.6T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.27Å; T189-F193 WeakPolarHBondContact O-CB 3.48Å; T189-F193 PolarHBondContact O-N 3.45Å; L190-F193 PolarHBondContact O-N 2.93Å; I191-F193 VanDerWaalsContact C-N 3.3Å; I191-F193 PolarHBondContact O-N 3.27Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.04Å; F193-L196 HydrophobicContact CD2-CD2 4.42Å; F193-L196 WeakPolarHBondContact O-CB 3.26Å; F193-L196 PolarHBondContact O-N 3.45Å; F193-I197 HydrophobicContact CD1-CD1 3.83Å; F193-I197 HydrophobicContact CE1-CD1 3.47Å; F193-I197 VanDerWaalsContact CE1-CD1 3.47Å; F193-I197 HydrophobicContact CE1-CG1 4.27Å; F193-I197 HydrophobicContact CZ-CD1 4.08Å; F193-I197 HydrophobicContact CZ-CG1 4.46Å; F193-I197 PolarHBondContact O-N 3.48Å
194T93.8Very high91.4Very high74 Ų7477.8 Ų77.845%0.45442%0.415SS..Hα-helixtrans-65.1-36.8173.556.70000111.7L190 I191 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.5Å; L190-T194 PolarHBondContact O-N 3.43Å; L190-T194 PolarHBondContact O-OG1 3.32Å; I191-T194 PolarHBondContact O-N 2.88Å; I191-T194 PolarHBondContact O-OG1 2.63Å; T194-I197 PolarHBondContact O-N 3.18Å; T194-L198 PolarHBondContact O-N 2.96Å
195I94.3Very high91.6Very high81 Ų8175 Ų7542%0.41541%0.407SS..Hα-helixtrans-62.3-42.2172.6-65.7166.4000111I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4Å; I191-I195 HydrophobicContact CG2-CD1 4.31Å; I191-I195 WeakPolarHBondContact O-CG1 3.41Å; I191-I195 PolarHBondContact O-N 3.37Å; I192-I195 WeakPolarHBondContact O-CB 3.35Å; I192-I195 PolarHBondContact O-N 2.95Å; F193-I195 VanDerWaalsContact C-N 3.31Å; F193-I195 PolarHBondContact O-N 3.04Å; I195-I197 VanDerWaalsContact C-N 3.35Å; I195-I197 PolarHBondContact O-N 2.98Å; I195-L198 PolarHBondContact O-N 2.96Å; I195-L199 WeakPolarHBondContact O-CB 3.41Å; I195-L199 PolarHBondContact O-N 3.47Å
196L93.4Very high91.8Very high31 Ų3172.3 Ų72.316%0.16239%0.394CS..Hα-helixtrans-59.8-44.6176-177.167.7000111.5I174 I192 F193 L199 T200I174-L196 HydrophobicContact CB-CD1 4.18Å; I174-L196 HydrophobicContact CG2-CB 3.92Å; I174-L196 HydrophobicContact CG2-CD1 3.97Å; I192-L196 PolarHBondContact O-N 3.49Å; F193-L196 HydrophobicContact CD2-CD2 4.42Å; F193-L196 WeakPolarHBondContact O-CB 3.26Å; F193-L196 PolarHBondContact O-N 3.45Å; L196-L199 WeakPolarHBondContact O-CB 3.49Å; L196-L199 PolarHBondContact O-N 2.87Å; L196-T200 WeakPolarHBondContact O-CG2 3.39Å; L196-T200 PolarHBondContact O-N 2.8Å; L196-T200 PolarHBondContact O-OG1 3.47Å
197I92.8Very high91.8Very high78 Ų7865.6 Ų65.640%0.436%0.36SS..Hα-helixtrans-61-47.3175.9-67.3165.5000110.4F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.83Å; F193-I197 HydrophobicContact CE1-CD1 3.47Å; F193-I197 VanDerWaalsContact CE1-CD1 3.47Å; F193-I197 HydrophobicContact CE1-CG1 4.27Å; F193-I197 HydrophobicContact CZ-CD1 4.08Å; F193-I197 HydrophobicContact CZ-CG1 4.46Å; F193-I197 PolarHBondContact O-N 3.48Å; T194-I197 PolarHBondContact O-N 3.18Å; I195-I197 VanDerWaalsContact C-N 3.35Å; I195-I197 PolarHBondContact O-N 2.98Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 2.94Å; I197-T200 PolarHBondContact O-N 3.15Å; I197-T200 PolarHBondContact O-OG1 2.89Å; I197-I201 HydrophobicContact CG2-CD1 4.13Å; I197-I201 WeakPolarHBondContact O-CG1 3.12Å; I197-I201 PolarHBondContact O-N 3.49Å; I197-I201 VanDerWaalsContact O-N 3.14Å
198L94.6Very high91.8Very high121 Ų12166.2 Ų66.263%0.63436%0.357SS*.Hα-helixtrans-60-40.5178.9-175.163.8000111.9T194 I195 I201 L202T194-L198 PolarHBondContact O-N 2.96Å; I195-L198 PolarHBondContact O-N 2.96Å; L198-I201 PolarHBondContact O-N 2.84Å; L198-L202 PolarHBondContact O-N 3.4Å
199L93.1Very high91.9Very high23 Ų2369.1 Ų69.112%0.1237%0.369CS..Hα-helixtrans-63.1-43.9176.7-17872.4000112L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.33Å; L170-L199 HydrophobicContact CD2-CD1 3.69Å; L170-L199 HydrophobicContact CD2-CD2 3.24Å; L170-L199 HydrophobicContact CD2-CG 4.08Å; L170-L199 HydrophobicContact CG-CD2 4.36Å; M171-L199 HydrophobicContact CB-CD2 4.31Å; M171-L199 HydrophobicContact CG-CD2 3.56Å; M171-L199 HydrophobicContact CG-CG 4.18Å; I174-L199 HydrophobicContact CD1-CD2 4.15Å; I195-L199 WeakPolarHBondContact O-CB 3.41Å; I195-L199 PolarHBondContact O-N 3.47Å; L196-L199 WeakPolarHBondContact O-CB 3.49Å; L196-L199 PolarHBondContact O-N 2.87Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 2.94Å; L199-I201 VanDerWaalsContact C-N 3.3Å; L199-I201 PolarHBondContact O-N 3.21Å; L199-L202 WeakPolarHBondContact O-CB 3.2Å; L199-L202 PolarHBondContact O-N 3.29Å; L199-L202 VanDerWaalsContact O-N 3.16Å; L199-E203 PolarHBondContact O-N 2.99Å
200T91.1Very high91.8Very high50 Ų5068.5 Ų68.531%0.30737%0.365SS..Hα-helixtrans-61.6-39.1177.956.50000112.1M171 L196 I197 E203 I204M171-T200 HydrophobicContact CG-CG2 4.5Å; M171-T200 HydrophobicContact SD-CG2 3.8Å; L196-T200 WeakPolarHBondContact O-CG2 3.39Å; L196-T200 PolarHBondContact O-N 2.8Å; L196-T200 PolarHBondContact O-OG1 3.47Å; I197-T200 PolarHBondContact O-N 3.15Å; I197-T200 PolarHBondContact O-OG1 2.89Å; T200-E203 PolarHBondContact O-N 3.15Å; T200-I204 VanDerWaalsContact O-CG1 3.28Å; T200-I204 WeakPolarHBondContact O-CG1 3.32Å; T200-I204 PolarHBondContact O-N 3.45Å
201I92.4Very high91.6Very high103 Ų10362.8 Ų62.853%0.52834%0.335SS..Hα-helixtrans-63.2-43.8174.2-65.1167.2000110.8I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.13Å; I197-I201 WeakPolarHBondContact O-CG1 3.12Å; I197-I201 PolarHBondContact O-N 3.49Å; I197-I201 VanDerWaalsContact O-N 3.14Å; L198-I201 PolarHBondContact O-N 2.84Å; L199-I201 VanDerWaalsContact C-N 3.3Å; L199-I201 PolarHBondContact O-N 3.21Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.12Å; I201-I204 PolarHBondContact O-N 3.48Å; I201-A205 PolarHBondContact O-N 2.88Å; I201-A205 VanDerWaalsContact O-N 3.15Å
202L91.7Very high91.4Very high102 Ų10262.8 Ų62.853%0.53433%0.329SS..Hα-helixtrans-59.6-45.5176.3179.266.9000111.1L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3.4Å; L199-L202 WeakPolarHBondContact O-CB 3.2Å; L199-L202 PolarHBondContact O-N 3.29Å; L199-L202 VanDerWaalsContact O-N 3.16Å; L202-I204 PolarHBondContact O-N 3.34Å; L202-A205 WeakPolarHBondContact O-CB 3.23Å; L202-A205 PolarHBondContact O-N 3.14Å; L202-A205 VanDerWaalsContact O-N 3.12Å; L202-V206 HydrophobicContact CD1-CG2 4.34Å; L202-V206 HydrophobicContact CG-CG2 4.33Å; L202-V206 WeakPolarHBondContact O-CG2 3.45Å; L202-V206 PolarHBondContact O-N 3.4Å
203E90.4Very high91.2Very high13 Ų1362.8 Ų62.86%0.06133%0.331CS..Hα-helixtrans-67-36.9-177-162.464.5-160.600112L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.43Å; L87-E203 HydrophobicContact CD2-CB 4.19Å; L87-E203 HydrophobicContact CD2-CG 3.4Å; L87-E203 VanDerWaalsContact CD2-CG 3.4Å; G167-E203 WeakPolarHBondContact CA-OE2 3.37Å; M171-E203 HydrophobicContact CE-CG 4.19Å; L199-E203 PolarHBondContact O-N 2.99Å; T200-E203 PolarHBondContact O-N 3.15Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.12Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.43Å; E203-V206 PolarHBondContact O-N 3.05Å; E203-A207 VanDerWaalsContact O-CB 3.28Å; E203-A207 WeakPolarHBondContact O-CB 3.46Å; E203-A207 PolarHBondContact O-N 2.89Å
204I90.3Very high90.9Very high85 Ų8557.7 Ų57.744%0.43631%0.308SS..Hα-helixtrans-59.6-43.2171.6-67.3164.6000110.7L84 L87 T200 I201 L202 L208L84-I204 HydrophobicContact CD1-CG2 4.37Å; L87-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 3.32Å; T200-I204 PolarHBondContact O-N 3.45Å; I201-I204 PolarHBondContact O-N 3.48Å; L202-I204 PolarHBondContact O-N 3.34Å; I204-L208 PolarHBondContact O-N 3.14Å
205A91.4Very high90.7Very high44 Ų4454.2 Ų54.236%0.36429%0.287SS..Hα-helixtrans-65.4-45.9177.300000111.6I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 2.88Å; I201-A205 VanDerWaalsContact O-N 3.15Å; L202-A205 WeakPolarHBondContact O-CB 3.23Å; L202-A205 PolarHBondContact O-N 3.14Å; L202-A205 VanDerWaalsContact O-N 3.12Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 3.43Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.02Å; A205-L208 PolarHBondContact O-N 3Å; A205-I209 WeakPolarHBondContact O-CB 3.42Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.49Å; A205-I209 PolarHBondContact O-N 3.24Å
206V91.3Very high90.3Very high40 Ų4052.8 Ų52.824%0.24228%0.28CS..Hα-helixtrans-61.2-42.2178.11730000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.07Å; L202-V206 HydrophobicContact CD1-CG2 4.34Å; L202-V206 HydrophobicContact CG-CG2 4.33Å; L202-V206 WeakPolarHBondContact O-CG2 3.45Å; L202-V206 PolarHBondContact O-N 3.4Å; E203-V206 PolarHBondContact O-N 3.05Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.37Å; V206-I209 PolarHBondContact O-N 3.16Å; V206-Q210 WeakPolarHBondContact O-CB 3.5Å; V206-Q210 PolarHBondContact O-N 3.07Å
207A88.7Confident89.9Confident4 Ų453.1 Ų53.13%0.03328%0.281CS..Hα-helixtrans-57.8-41.8178.200000112.9N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.9Å; N83-A207 PolarHBondContact ND2-O 3.37Å; L87-A207 HydrophobicContact CD1-CB 4.05Å; E203-A207 VanDerWaalsContact O-CB 3.28Å; E203-A207 WeakPolarHBondContact O-CB 3.46Å; E203-A207 PolarHBondContact O-N 2.89Å; A205-A207 VanDerWaalsContact C-N 3.34Å; A205-A207 PolarHBondContact O-N 3.02Å; A207-A211 PolarHBondContact O-N 3.38Å
208L88.4Confident89.5Confident107 Ų10749.9 Ų49.956%0.5627%0.265SS*.Hα-helixtrans-75.6-44.4179-169.4149.3000111.9I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 3.14Å; A205-L208 PolarHBondContact O-N 3Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.37Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 2.91Å; L208-A211 PolarHBondContact O-N 3.42Å; L208-Y212 PolarHBondContact O-N 3.21Å
209I90.4Very high89Confident99 Ų9944.3 Ų44.351%0.50824%0.236SC..Hα-helixtrans-60-41177.5-69.2166.4000110.2A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.42Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.49Å; A205-I209 PolarHBondContact O-N 3.24Å; V206-I209 PolarHBondContact O-N 3.16Å; I209-A211 PolarHBondContact O-N 2.95Å; I209-Y212 WeakPolarHBondContact O-CB 3.42Å; I209-Y212 PolarHBondContact O-N 3.41Å; I209-Y212 VanDerWaalsContact O-N 3.17Å; I209-V213 HydrophobicContact CG2-CG2 4.07Å; I209-V213 WeakPolarHBondContact O-CG2 3.28Å; I209-V213 PolarHBondContact O-N 2.93Å
210Q88.4Confident88.5Confident11 Ų1146.6 Ų46.65%0.05125%0.249CC..Hα-helixtrans-67-37.6-177.7-173.664.14.900112.3R159 L160 V206 L208 Y212 V213 F214R159-Q210 VanDerWaalsContact C-NE2 3.27Å; R159-Q210 VanDerWaalsContact CG-NE2 3.29Å; L160-Q210 VanDerWaalsContact CA-NE2 3.3Å; L160-Q210 HydrophobicContact CB-CG 4.25Å; L160-Q210 HydrophobicContact CD1-CB 4.35Å; L160-Q210 HydrophobicContact CD1-CG 3.41Å; L160-Q210 VanDerWaalsContact CD1-CG 3.41Å; L160-Q210 HydrophobicContact CG-CG 4.42Å; V206-Q210 WeakPolarHBondContact O-CB 3.5Å; V206-Q210 PolarHBondContact O-N 3.07Å; L208-Q210 VanDerWaalsContact C-N 3.26Å; L208-Q210 PolarHBondContact O-N 2.91Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 2.79Å; Q210-V213 PolarHBondContact O-N 3.39Å; Q210-F214 WeakPolarHBondContact O-CB 3.4Å; Q210-F214 PolarHBondContact O-N 3.44Å
211A89.1Confident87.9Confident1 Ų145.2 Ų45.21%0.00824%0.238CC..Hα-helixtrans-62.1-41172.300000111.6I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.46Å; I79-A211 HydrophobicContact CB-CB 4.05Å; I79-A211 HydrophobicContact CG2-CB 3.78Å; A80-A211 HydrophobicContact CB-CB 3.94Å; A207-A211 PolarHBondContact O-N 3.38Å; L208-A211 PolarHBondContact O-N 3.42Å; I209-A211 PolarHBondContact O-N 2.95Å; A211-T215 WeakPolarHBondContact O-CG2 3.43Å; A211-T215 PolarHBondContact O-N 3.33Å; A211-T215 PolarHBondContact O-OG1 2.67Å
212Y89.1Confident87.3Confident103 Ų10340.5 Ų40.540%0.40421%0.214SC..Hα-helixtrans-65.9-48.7176.3177.4-100.3000112.5I76 L208 I209 Q210 F214 T215 L216I76-Y212 HydrophobicContact CD1-CD2 4.18Å; L208-Y212 PolarHBondContact O-N 3.21Å; I209-Y212 WeakPolarHBondContact O-CB 3.42Å; I209-Y212 PolarHBondContact O-N 3.41Å; I209-Y212 VanDerWaalsContact O-N 3.17Å; Q210-Y212 VanDerWaalsContact C-N 3.32Å; Q210-Y212 PolarHBondContact O-N 2.79Å; Y212-F214 VanDerWaalsContact C-N 3.31Å; Y212-F214 PolarHBondContact O-N 3.48Å; Y212-T215 PolarHBondContact O-N 3.23Å; Y212-T215 PolarHBondContact O-OG1 3.48Å; Y212-L216 HydrophobicContact CE1-CD1 3.63Å; Y212-L216 HydrophobicContact CE2-CD1 4.48Å; Y212-L216 VanDerWaalsContact O-CB 3.27Å; Y212-L216 WeakPolarHBondContact O-CB 3.38Å; Y212-L216 PolarHBondContact O-N 3.34Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.49Å
213V89.1Confident86.7Confident41 Ų4139.5 Ų39.525%0.24821%0.206CC..Hα-helixtrans-62.8-38.8179.7172.20000111.3I209 Q210 L217I209-V213 HydrophobicContact CG2-CG2 4.07Å; I209-V213 WeakPolarHBondContact O-CG2 3.28Å; I209-V213 PolarHBondContact O-N 2.93Å; Q210-V213 PolarHBondContact O-N 3.39Å; V213-L217 HydrophobicContact CG1-CD1 3.89Å; V213-L217 WeakPolarHBondContact O-CB 3.48Å; V213-L217 WeakPolarHBondContact O-CG 3.49Å; V213-L217 PolarHBondContact O-N 3.31Å
214F86.3Confident85.9Confident1 Ų142.5 Ų42.50%0.00422%0.223CC..Hα-helixtrans-57.9-52.5175.7-172.6-78.7000111.5L75 I79 A105 L108 L156 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.08Å; L75-F214 HydrophobicContact CD2-CD1 3.85Å; L75-F214 HydrophobicContact CD2-CE1 3.77Å; L75-F214 HydrophobicContact CG-CD1 4.31Å; L75-F214 HydrophobicContact CG-CE1 4.18Å; I79-F214 HydrophobicContact CD1-CB 4.26Å; I79-F214 HydrophobicContact CD1-CD1 3.36Å; I79-F214 HydrophobicContact CD1-CD2 4.32Å; I79-F214 HydrophobicContact CD1-CE1 3.71Å; I79-F214 HydrophobicContact CD1-CG 3.73Å; I79-F214 HydrophobicContact CD1-CZ 4.33Å; A105-F214 HydrophobicContact CB-CE2 4.36Å; A105-F214 HydrophobicContact CB-CZ 4.17Å; L108-F214 HydrophobicContact CD1-CE1 4.09Å; L156-F214 HydrophobicContact CD1-CB 4.46Å; L156-F214 HydrophobicContact CD1-CD2 4.1Å; L156-F214 HydrophobicContact CD1-CG 4.46Å; L156-F214 HydrophobicContact CD2-CD1 4.12Å; L156-F214 HydrophobicContact CD2-CD2 3.23Å; L156-F214 HydrophobicContact CD2-CE1 4.09Å; L156-F214 HydrophobicContact CD2-CE2 3.19Å; L156-F214 HydrophobicContact CD2-CG 3.71Å; L156-F214 HydrophobicContact CD2-CZ 3.64Å; L156-F214 HydrophobicContact CG-CD2 3.4Å; L156-F214 HydrophobicContact CG-CE2 3.66Å; L156-F214 HydrophobicContact CG-CG 4.12Å; Q210-F214 WeakPolarHBondContact O-CB 3.4Å; Q210-F214 PolarHBondContact O-N 3.44Å; Y212-F214 VanDerWaalsContact C-N 3.31Å; Y212-F214 PolarHBondContact O-N 3.48Å; F214-L217 PolarHBondContact O-N 3.05Å; F214-V218 HydrophobicContact CD1-CG2 4.37Å; F214-V218 HydrophobicContact CE1-CG2 4.18Å; F214-V218 WeakPolarHBondContact O-CG2 3.18Å; F214-V218 PolarHBondContact O-N 3.47Å
215T87.8Confident85Confident0 Ų040 Ų400%021%0.21CC..Hα-helixtrans-72.5-34.7-176520000112.5M57 L75 I76 A211 Y212 V218 S219M57-T215 VanDerWaalsContact CE-OG1 3.22Å; M57-T215 WeakPolarHBondContact CE-OG1 3.43Å; L75-T215 HydrophobicContact CB-CG2 4.08Å; L75-T215 HydrophobicContact CD2-CG2 3.48Å; L75-T215 VanDerWaalsContact CD2-CG2 3.48Å; L75-T215 HydrophobicContact CG-CG2 3.73Å; I76-T215 VanDerWaalsContact CA-CG2 3.48Å; I76-T215 HydrophobicContact CB-CG2 3.5Å; I76-T215 HydrophobicContact CG1-CG2 4.08Å; A211-T215 WeakPolarHBondContact O-CG2 3.43Å; A211-T215 PolarHBondContact O-N 3.33Å; A211-T215 PolarHBondContact O-OG1 2.67Å; Y212-T215 PolarHBondContact O-N 3.23Å; Y212-T215 PolarHBondContact O-OG1 3.48Å; T215-V218 PolarHBondContact O-N 3.47Å; T215-S219 WeakPolarHBondContact O-CB 3.33Å; T215-S219 PolarHBondContact O-N 3.32Å
216L86.6Confident83.9Confident52 Ų5239.3 Ų39.327%0.27220%0.201SC..Hα-helixtrans-62.8-45.5173.8-175.3149.3000111.6Y212 V218 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.63Å; Y212-L216 HydrophobicContact CE2-CD1 4.48Å; Y212-L216 VanDerWaalsContact O-CB 3.27Å; Y212-L216 WeakPolarHBondContact O-CB 3.38Å; Y212-L216 PolarHBondContact O-N 3.34Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.49Å; L216-V218 PolarHBondContact O-N 3.37Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.43Å; L216-S219 PolarHBondContact O-N 3.11Å; L216-S219 VanDerWaalsContact O-N 3.13Å; L216-S219 PolarHBondContact O-OG 3.29Å; L216-L220 PolarHBondContact O-N 3.18Å
217L85.1Confident83.5Confident37 Ų3739.3 Ų39.319%0.19420%0.199CC..Hα-helixtrans-63.1-43.2178.2-78.2166.3000111.5L156 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 4.22Å; L156-L217 HydrophobicContact CD1-CD1 3.4Å; L156-L217 VanDerWaalsContact CD1-CD1 3.4Å; L156-L217 HydrophobicContact CD1-CG 4.43Å; V213-L217 HydrophobicContact CG1-CD1 3.89Å; V213-L217 WeakPolarHBondContact O-CB 3.48Å; V213-L217 WeakPolarHBondContact O-CG 3.49Å; V213-L217 PolarHBondContact O-N 3.31Å; F214-L217 PolarHBondContact O-N 3.05Å; L217-S219 VanDerWaalsContact C-N 3.26Å; L217-S219 PolarHBondContact O-N 2.95Å; L217-L220 PolarHBondContact O-N 2.98Å; L217-Y221 HydrophobicContact CB-CE2 4.17Å; L217-Y221 WeakPolarHBondContact O-CD2 3.48Å; L217-Y221 WeakPolarHBondContact O-CE2 3.5Å; L217-Y221 PolarHBondContact O-N 2.8Å
218V83.8Confident83.2Confident10 Ų1041.1 Ų41.16%0.06121%0.208CC..Hα-helixtrans-58.6-41.4173177.50000111.3L72 L108 L156 F214 T215 L216 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.2Å; L72-V218 HydrophobicContact CD2-CG1 3.82Å; L108-V218 HydrophobicContact CB-CG1 4.45Å; L156-V218 HydrophobicContact CD2-CG2 4.44Å; F214-V218 HydrophobicContact CD1-CG2 4.37Å; F214-V218 HydrophobicContact CE1-CG2 4.18Å; F214-V218 WeakPolarHBondContact O-CG2 3.18Å; F214-V218 PolarHBondContact O-N 3.47Å; T215-V218 PolarHBondContact O-N 3.47Å; L216-V218 PolarHBondContact O-N 3.37Å; V218-Y221 PolarHBondContact O-N 2.88Å; V218-L222 PolarHBondContact O-N 3.48Å; V218-L222 VanDerWaalsContact O-N 3.09Å
219S84.8Confident82.9Confident4 Ų437.4 Ų37.43%0.02819%0.188CC..Hα-helixtrans-66.7-37.9177.585.70000112.4H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact NE2-O 3.26Å; T215-S219 WeakPolarHBondContact O-CB 3.33Å; T215-S219 PolarHBondContact O-N 3.32Å; L216-S219 CarbonylContact O-C 3.59Å; L216-S219 WeakPolarHBondContact O-CB 3.43Å; L216-S219 PolarHBondContact O-N 3.11Å; L216-S219 VanDerWaalsContact O-N 3.13Å; L216-S219 PolarHBondContact O-OG 3.29Å; L217-S219 VanDerWaalsContact C-N 3.26Å; L217-S219 PolarHBondContact O-N 2.95Å; S219-L222 WeakPolarHBondContact O-CB 3.34Å; S219-L222 PolarHBondContact O-N 2.98Å; S219-H223 PolarHBondContact O-N 2.81Å
220L82.7Confident82.5Confident72 Ų7233.8 Ų33.838%0.37717%0.169SC..Hα-helixtrans-65.6-42.4176.6-170.3149.8000111L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 3.18Å; L217-L220 PolarHBondContact O-N 2.98Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.16Å; L220-H223 WeakPolarHBondContact O-CA 3.31Å; L220-H223 WeakPolarHBondContact O-CB 3.43Å; L220-H223 PolarHBondContact O-N 3.08Å; L220-H223 VanDerWaalsContact O-N 3.07Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.27Å; L220-D224 PolarHBondContact O-N 3Å
221Y78.3Confident82.1Confident21 Ų2135.3 Ų35.38%0.08218%0.177CC..Hα-helixtrans-60.8-38.9172.9-61.8-51.9000112.4Q152 L217 V218 H223 D224 N225Q152-Y221 HydrophobicContact CG-CE1 4.4Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.4Å; Q152-Y221 PolarHBondContact NE2-OH 3.41Å; Q152-Y221 PolarHBondContact OE1-OH 2.64Å; L217-Y221 HydrophobicContact CB-CE2 4.17Å; L217-Y221 WeakPolarHBondContact O-CD2 3.48Å; L217-Y221 WeakPolarHBondContact O-CE2 3.5Å; L217-Y221 PolarHBondContact O-N 2.8Å; V218-Y221 PolarHBondContact O-N 2.88Å; Y221-H223 VanDerWaalsContact C-N 3.3Å; Y221-D224 PolarHBondContact O-N 3.47Å; Y221-N225 VanDerWaalsContact O-CB 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.25Å; Y221-N225 PolarHBondContact O-N 3.4Å; Y221-N225 VanDerWaalsContact O-N 3.08Å; Y221-N225 PolarHBondContact O-ND2 3.45Å
222L79Confident81.7Confident3 Ų337.5 Ų37.52%0.01619%0.188CC..Hα-helixtrans-64.5-40175.9-168.675.5000110.7W68 M115 V218 S219 L220 N225 T226W68-L222 HydrophobicContact CB-CD2 3.45Å; W68-L222 VanDerWaalsContact CB-CD2 3.45Å; W68-L222 HydrophobicContact CD2-CD1 3.84Å; W68-L222 HydrophobicContact CD2-CD2 4.18Å; W68-L222 HydrophobicContact CE3-CD1 4.19Å; W68-L222 HydrophobicContact CG-CD1 4Å; W68-L222 HydrophobicContact CG-CD2 3.6Å; W68-L222 HydrophobicContact CG-CG 4.47Å; M115-L222 HydrophobicContact SD-CD1 4.37Å; V218-L222 PolarHBondContact O-N 3.48Å; V218-L222 VanDerWaalsContact O-N 3.09Å; S219-L222 WeakPolarHBondContact O-CB 3.34Å; S219-L222 PolarHBondContact O-N 2.98Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.16Å; L222-N225 PolarHBondContact O-N 3.27Å; L222-T226 HydrophobicContact CD1-CG2 4.4Å; L222-T226 HydrophobicContact CG-CG2 4.27Å; L222-T226 WeakPolarHBondContact O-CB 3.47Å; L222-T226 WeakPolarHBondContact O-CG2 3.5Å; L222-T226 PolarHBondContact O-N 2.97Å; L222-T226 VanDerWaalsContact O-N 3.12Å; L222-T226 PolarHBondContact O-OG1 3.08Å
223H79.5Confident81.1Confident82 Ų8232.9 Ų32.938%0.3817%0.173SC..Hα-helixtrans-60.2-51.2175.1-174.286.2000111.5M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 2.78Å; M60-H223 PolarHBondContact O-ND1 3.25Å; S219-H223 PolarHBondContact O-N 2.81Å; L220-H223 WeakPolarHBondContact O-CA 3.31Å; L220-H223 WeakPolarHBondContact O-CB 3.43Å; L220-H223 PolarHBondContact O-N 3.08Å; L220-H223 VanDerWaalsContact O-N 3.07Å; Y221-H223 VanDerWaalsContact C-N 3.3Å; H223-N225 PolarHBondContact O-N 3.36Å; H223-T226 PolarHBondContact O-N 3.46Å; H223-T226 VanDerWaalsContact O-N 3.14Å; H223-T226 PolarHBondContact O-OG1 3.29Å
224D75Confident80.5Confident76 Ų7632.2 Ų32.241%0.40617%0.167SC..Hα-helixtrans-61.6-31.2-179.4-65-15.9000112.6L220 Y221L220-D224 WeakPolarHBondContact CD2-OD2 3.27Å; L220-D224 PolarHBondContact O-N 3Å; Y221-D224 PolarHBondContact O-N 3.47Å
225N71.4Confident80.1Confident32 Ų3234.8 Ų34.817%0.17118%0.18CC..THydrogen-bonded Turntrans-90.8-2-179.9-74.9-71.4000114.5G116 S119 Y221 L222 H223G116-N225 VanDerWaalsContact CA-O 3.26Å; G116-N225 WeakPolarHBondContact CA-O 3.39Å; S119-N225 PolarHBondContact OG-O 3.36Å; Y221-N225 VanDerWaalsContact O-CB 3.3Å; Y221-N225 WeakPolarHBondContact O-CB 3.25Å; Y221-N225 PolarHBondContact O-N 3.4Å; Y221-N225 VanDerWaalsContact O-N 3.08Å; Y221-N225 PolarHBondContact O-ND2 3.45Å; L222-N225 PolarHBondContact O-N 3.27Å; H223-N225 PolarHBondContact O-N 3.36Å
226T66.8Low79.4Confident29 Ų2938 Ų3818%0.17820%0.197CC..  trans-108.50-178.152.90000115K120 L222 H223K120-T226 WeakPolarHBondContact CE-O 3.13Å; K120-T226 PolarHBondContact NZ-O 3.37Å; K120-T226 PolarHBondContact NZ-OXT 3.14Å; L222-T226 HydrophobicContact CD1-CG2 4.4Å; L222-T226 HydrophobicContact CG-CG2 4.27Å; L222-T226 WeakPolarHBondContact O-CB 3.47Å; L222-T226 WeakPolarHBondContact O-CG2 3.5Å; L222-T226 PolarHBondContact O-N 2.97Å; L222-T226 VanDerWaalsContact O-N 3.12Å; L222-T226 PolarHBondContact O-OG1 3.08Å; H223-T226 PolarHBondContact O-N 3.46Å; H223-T226 VanDerWaalsContact O-N 3.14Å; H223-T226 PolarHBondContact O-OG1 3.29Å

Retrieved 226 of 226 residues in 301.4 ms (Link to these results)

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