A0A059VCQ6_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A059VCQ6, Species HUMAN (Homo sapiens, Human), Gene ATP6, Length 226 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M54.4Low73.6Confident203 Ų20396.7 Ų96.7100%152%0.521SS*.  0-37.30-76.9174.211100112.9E3 N4M1-E3 PolarHBondContact O-N 3.43Å; M1-N4 PolarHBondContact O-N 3.12Å
2N51.8Low74.4Confident144 Ų14491.9 Ų91.977%0.7750%0.499SS*.Hα-helixtrans-60.3-38-178.7-88.219.3000115.5
3E59.1Low75.4Confident157 Ų15792.6 Ų92.673%0.73451%0.508SS*.Hα-helixtrans-74.2-25.6-177.8-67-93.5138.800113.3M1 L5 F6 A7M1-E3 PolarHBondContact O-N 3.43Å; E3-L5 VanDerWaalsContact C-N 3.32Å; E3-L5 PolarHBondContact O-N 3.32Å; E3-F6 PolarHBondContact O-N 3.34Å; E3-A7 PolarHBondContact O-N 3.27Å
4N74.1Confident76.3Confident113 Ų11394 Ų9460%0.60451%0.513SS*.Hα-helixtrans-71.1-28.6-172-67.57.6000112.6M1M1-N4 PolarHBondContact O-N 3.12Å
5L75.4Confident76.9Confident36 Ų3699.5 Ų99.519%0.18854%0.54CS..Hα-helixtrans-70.5-34.3179-68.5175.6000112.2E3 H172 L173E3-L5 VanDerWaalsContact C-N 3.32Å; E3-L5 PolarHBondContact O-N 3.32Å; L5-H172 HydrophobicContact CD2-CB 4.46Å; L5-H172 VanDerWaalsContact CD2-ND1 3.28Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.26Å; L5-L173 HydrophobicContact CD1-CD2 3.97Å; L5-L173 HydrophobicContact CD2-CD2 4.33Å
6F81.9Confident77.4Confident118 Ų11897.8 Ų97.852%0.51855%0.553SS.*Hα-helixtrans-92.9-9.6-177.6-67.6-75.8000113.7E3 S8 F9 I10 L169E3-F6 PolarHBondContact O-N 3.34Å; F6-S8 PolarHBondContact O-N 3.08Å; F6-S8 VanDerWaalsContact O-N 3.15Å; F6-F9 AromaticContact CD1-CD2 3.97Å; F6-F9 HydrophobicContact CD1-CD2 3.97Å; F6-F9 HydrophobicContact CD1-CE2 4.35Å; F6-F9 PolarHBondContact O-N 3.41Å; F6-I10 PolarHBondContact O-N 2.94Å; F6-L169 HydrophobicContact CD1-CD2 4.4Å; F6-L169 HydrophobicContact CE1-CD1 4.12Å; F6-L169 HydrophobicContact CE1-CD2 4.02Å; F6-L169 HydrophobicContact CZ-CD2 4.4Å
7A80.4Confident77.8Confident56 Ų5699.3 Ų99.346%0.46356%0.558SS.*G310 helixtrans-55.5-32.8-179.800000113.2E3 F9 I10E3-A7 PolarHBondContact O-N 3.27Å; A7-F9 VanDerWaalsContact C-N 3.27Å; A7-F9 PolarHBondContact O-N 3.35Å; A7-I10 PolarHBondContact O-N 3.18Å
8S80.3Confident78.2Confident52 Ų5298.6 Ų98.636%0.36456%0.559SS.*G310 helixtrans-69.2-20.8176.957.40000114.1F6 F92F6-S8 PolarHBondContact O-N 3.08Å; F6-S8 VanDerWaalsContact O-N 3.15Å; S8-F92 WeakPolarHBondContact O-CD2 3.38Å
9F83.1Confident78.6Confident24 Ų2494.5 Ų94.511%0.10554%0.538CS..G310 helixtrans-93.2-10.8178.4-58.1-70.3000112.9F6 A7 A11 T96 Q97 T165 H168 L169F6-F9 AromaticContact CD1-CD2 3.97Å; F6-F9 HydrophobicContact CD1-CD2 3.97Å; F6-F9 HydrophobicContact CD1-CE2 4.35Å; F6-F9 PolarHBondContact O-N 3.41Å; A7-F9 VanDerWaalsContact C-N 3.27Å; A7-F9 PolarHBondContact O-N 3.35Å; F9-A11 PolarHBondContact O-N 2.95Å; F9-T96 HydrophobicContact CD1-CG2 3.83Å; F9-T96 HydrophobicContact CE1-CG2 3.72Å; F9-Q97 PolarHBondContact O-NE2 3.1Å; F9-T165 HydrophobicContact CD1-CG2 4.37Å; F9-T165 HydrophobicContact CE1-CG2 4.09Å; F9-H168 HydrophobicContact CE1-CB 4.07Å; F9-H168 HydrophobicContact CZ-CB 3.81Å; F9-L169 HydrophobicContact CE2-CD1 4.46Å; F9-L169 HydrophobicContact CE2-CD2 3.67Å; F9-L169 HydrophobicContact CE2-CG 3.76Å; F9-L169 HydrophobicContact CZ-CD2 4.3Å; F9-L169 HydrophobicContact CZ-CG 3.91Å
10I85.1Confident79Confident110 Ų11090.7 Ų90.756%0.56452%0.519SS*.SBendtrans-69.1129.6178-59.4175.3000108.5F6 A7 P12F6-I10 PolarHBondContact O-N 2.94Å; A7-I10 PolarHBondContact O-N 3.18Å; I10-P12 WeakPolarHBondContact O-CD 3.39Å
11A83.7Confident79.3Confident51 Ų5188.9 Ų88.942%0.42152%0.515SS..PPolyproline II helixtrans-59.5121.5-179.900000110.2F9 T13 F92F9-A11 PolarHBondContact O-N 2.95Å; A11-T13 PolarHBondContact O-N 3.04Å; A11-F92 HydrophobicContact CB-CZ 4.48Å
12P84Confident80.8Confident39 Ų3985.2 Ų85.225%0.25350%0.499SS..PPolyproline II helixtrans-70.9127.4-17426.5-33.1000110.2I10 A19 I23 F92I10-P12 WeakPolarHBondContact O-CD 3.39Å; P12-A19 HydrophobicContact CB-CB 4.25Å; P12-A19 HydrophobicContact CG-CB 4.34Å; P12-A19 WeakPolarHBondContact O-CB 3.3Å; P12-A19 PolarHBondContact O-N 2.93Å; P12-I23 HydrophobicContact CG-CD1 3.53Å; P12-F92 HydrophobicContact CG-CB 4.4Å; P12-F92 HydrophobicContact CG-CD1 4.18Å; P12-F92 HydrophobicContact CG-CG 4.11Å
13T87Confident82.6Confident101 Ų10180.8 Ų80.862%0.6248%0.475SS*.EExtended strand (participates in β ladder)trans-118.2125.9170.653.80000108.5A11 L17A11-T13 PolarHBondContact O-N 3.04Å; T13-L17 CarbonylContact C-O 3.59Å; T13-L17 VanDerWaalsContact CA-O 3.28Å; T13-L17 WeakPolarHBondContact CA-O 3.28Å
14I87.9Confident84Confident112 Ų11275.8 Ų75.857%0.57445%0.452SS*.EExtended strand (participates in β ladder)trans-113.3123.2176.9-64.1172.8000106.4G16 L17 A19I14-G16 PolarHBondContact O-N 3.4Å; I14-G16 VanDerWaalsContact O-N 3.12Å; I14-L17 PolarHBondContact N-O 3.25Å; I14-L17 PolarHBondContact O-N 2.75Å; I14-A19 HydrophobicContact CD1-CB 3.9Å; I14-A19 HydrophobicContact CG1-CB 3.99Å
15L85.5Confident84.6Confident176 Ų17676.4 Ų76.492%0.92146%0.455SS*.THydrogen-bonded Turntrans54.330.7-179.9-78.4139.8000113.8L17L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 3.35Å
16G84.2Confident85.2Confident72 Ų7279.3 Ų79.374%0.74247%0.466SS*.THydrogen-bonded Turntrans80-2.1-177.200000115.1I14I14-G16 PolarHBondContact O-N 3.4Å; I14-G16 VanDerWaalsContact O-N 3.12Å
17L84.3Confident85.5Confident124 Ų12473.8 Ų73.865%0.64944%0.442SS*.EExtended strand (participates in β ladder)trans-92.4139.2173.1-65.8169.9000110.9T13 I14 L15 A19T13-L17 CarbonylContact C-O 3.59Å; T13-L17 VanDerWaalsContact CA-O 3.28Å; T13-L17 WeakPolarHBondContact CA-O 3.28Å; I14-L17 PolarHBondContact N-O 3.25Å; I14-L17 PolarHBondContact O-N 2.75Å; L15-L17 VanDerWaalsContact C-N 3.26Å; L15-L17 PolarHBondContact O-N 3.35Å; L17-A19 PolarHBondContact O-N 3.29Å
18P85.1Confident85.8Confident87 Ų8774.4 Ų74.457%0.56544%0.442SS*.EExtended strand (participates in β ladder)trans-71.2100.9177.628.9-33.4000110.6A20 A21P18-A20 PolarHBondContact O-N 3.43Å; P18-A21 PolarHBondContact O-N 3.33Å
19A86.5Confident86.1Confident20 Ų2078.1 Ų78.117%0.16546%0.457CS..THydrogen-bonded Turntrans-68.9-16.6177.300000112.4P12 I14 L17 A21 L22 I23P12-A19 HydrophobicContact CB-CB 4.25Å; P12-A19 HydrophobicContact CG-CB 4.34Å; P12-A19 WeakPolarHBondContact O-CB 3.3Å; P12-A19 PolarHBondContact O-N 2.93Å; I14-A19 HydrophobicContact CD1-CB 3.9Å; I14-A19 HydrophobicContact CG1-CB 3.99Å; L17-A19 PolarHBondContact O-N 3.29Å; A19-A21 PolarHBondContact O-N 3.32Å; A19-L22 PolarHBondContact O-N 3.48Å; A19-L22 VanDerWaalsContact O-N 3.1Å; A19-I23 PolarHBondContact O-N 3.18Å
20A86.1Confident86.3Confident19 Ų1981.9 Ų81.916%0.15747%0.473CS..Hα-helixtrans-53.5-36.1173.400000113.1P18 L22 I23 I24 F92P18-A20 PolarHBondContact O-N 3.43Å; A20-L22 VanDerWaalsContact C-N 3.32Å; A20-L22 PolarHBondContact O-N 3.44Å; A20-I23 PolarHBondContact O-N 3.42Å; A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 2.93Å; A20-I24 PolarHBondContact O-N 3.01Å; A20-F92 HydrophobicContact CB-CE1 4.38Å
21A85.1Confident86.4Confident53 Ų5379 Ų7944%0.43846%0.458SS..Hα-helixtrans-63.1-39.5178.700000112.2P18 A19 I23 I24 L25P18-A21 PolarHBondContact O-N 3.33Å; A19-A21 PolarHBondContact O-N 3.32Å; A21-I23 VanDerWaalsContact C-N 3.35Å; A21-I24 PolarHBondContact O-N 3Å; A21-L25 WeakPolarHBondContact O-CG 3.46Å; A21-L25 PolarHBondContact O-N 3.42Å; A21-L25 VanDerWaalsContact O-N 3.12Å
22L86.6Confident86.6Confident126 Ų12679.1 Ų79.166%0.6646%0.455SS*.Hα-helixtrans-67.9-38.3177.9-168.6141.5000111.2A19 A20 L25 F26A19-L22 PolarHBondContact O-N 3.48Å; A19-L22 VanDerWaalsContact O-N 3.1Å; A20-L22 VanDerWaalsContact C-N 3.32Å; A20-L22 PolarHBondContact O-N 3.44Å; L22-L25 PolarHBondContact O-N 3.13Å; L22-F26 PolarHBondContact O-N 3.49Å
23I88.3Confident86.8Confident51 Ų5183.7 Ų83.726%0.26248%0.482SS..Hα-helixtrans-65.5-40.3176.1-63.1159.7000111P12 A19 A20 A21 L25 F26 P27 F92P12-I23 HydrophobicContact CG-CD1 3.53Å; A19-I23 PolarHBondContact O-N 3.18Å; A20-I23 PolarHBondContact O-N 3.42Å; A21-I23 VanDerWaalsContact C-N 3.35Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.32Å; I23-F26 WeakPolarHBondContact O-CB 3.32Å; I23-F26 PolarHBondContact O-N 3.37Å; I23-P27 VanDerWaalsContact O-CD 3.31Å; I23-P27 WeakPolarHBondContact O-CD 3.21Å; I23-F92 HydrophobicContact CD1-CB 4.13Å; I23-F92 HydrophobicContact CD1-CD1 3.95Å; I23-F92 HydrophobicContact CD1-CG 4.4Å; I23-F92 HydrophobicContact CG2-CD1 4.37Å
24I88.6Confident86.9Confident51 Ų5180.8 Ų80.826%0.26247%0.466SS..Hα-helixtrans-65.7-32.3176.7-67.5166.3000111.8A20 A21 F26 P27 F78 P94 M100A20-I24 VanDerWaalsContact O-CG1 3.26Å; A20-I24 WeakPolarHBondContact O-CG1 2.93Å; A20-I24 PolarHBondContact O-N 3.01Å; A21-I24 PolarHBondContact O-N 3Å; I24-F26 VanDerWaalsContact C-N 3.32Å; I24-P27 WeakPolarHBondContact O-CD 3.41Å; I24-F78 HydrophobicContact CG2-CZ 4.24Å; I24-P94 HydrophobicContact CD1-CB 4.29Å; I24-P94 HydrophobicContact CG1-CB 3.71Å; I24-P94 HydrophobicContact CG1-CG 4.07Å; I24-M100 HydrophobicContact CD1-SD 4.35Å; I24-M100 HydrophobicContact CG2-CE 4.29Å
25L87.3Confident86.8Confident127 Ų12785.6 Ų85.667%0.66548%0.483SS*.Hα-helixtrans-81.5-8.5177.8-73.2169.1000113.9A21 L22 I23 P28A21-L25 WeakPolarHBondContact O-CG 3.46Å; A21-L25 PolarHBondContact O-N 3.42Å; A21-L25 VanDerWaalsContact O-N 3.12Å; L22-L25 PolarHBondContact O-N 3.13Å; I23-L25 VanDerWaalsContact C-N 3.29Å; I23-L25 PolarHBondContact O-N 3.32Å; L25-P28 WeakPolarHBondContact O-CD 3.09Å
26F88.4Confident87Confident96 Ų9686 Ų8642%0.42147%0.473SS..SBendtrans-72.5-42.6-176.4-166-118.8000115.1L22 I23 I24 L29 F30 L85L22-F26 PolarHBondContact O-N 3.49Å; I23-F26 WeakPolarHBondContact O-CB 3.32Å; I23-F26 PolarHBondContact O-N 3.37Å; I24-F26 VanDerWaalsContact C-N 3.32Å; F26-L29 HydrophobicContact CD2-CD1 3.91Å; F26-L29 HydrophobicContact CE2-CD1 4.41Å; F26-L29 WeakPolarHBondContact O-CB 3.26Å; F26-L29 PolarHBondContact O-N 3.35Å; F26-L29 VanDerWaalsContact O-N 3.1Å; F26-F30 AromaticContact CD1-CE2 3.65Å; F26-F30 HydrophobicContact CD1-CE2 3.65Å; F26-F30 HydrophobicContact CD1-CZ 4.36Å; F26-F30 AromaticContact CE1-CE2 3.32Å; F26-F30 HydrophobicContact CE1-CE2 3.32Å; F26-F30 AromaticContact CE1-CZ 3.57Å; F26-F30 HydrophobicContact CE1-CZ 3.57Å; F26-F30 HydrophobicContact CE2-CE2 4.49Å; F26-F30 HydrophobicContact CG-CE2 4.37Å; F26-F30 AromaticContact CZ-CE2 3.77Å; F26-F30 HydrophobicContact CZ-CE2 3.77Å; F26-F30 AromaticContact CZ-CZ 3.83Å; F26-F30 HydrophobicContact CZ-CZ 3.83Å; F26-L85 HydrophobicContact CD1-CD2 3.41Å; F26-L85 VanDerWaalsContact CD1-CD2 3.41Å; F26-L85 HydrophobicContact CE1-CD2 3.71Å
27P88.8Confident86.8Confident3 Ų391 Ų912%0.01948%0.482CS..G310 helixtrans-56.1-41.1-178.6-16.121.8000115.8I23 I24 L29 F30 T81 T82I23-P27 VanDerWaalsContact O-CD 3.31Å; I23-P27 WeakPolarHBondContact O-CD 3.21Å; I24-P27 WeakPolarHBondContact O-CD 3.41Å; P27-L29 PolarHBondContact O-N 3.11Å; P27-L29 VanDerWaalsContact O-N 3.13Å; P27-F30 PolarHBondContact O-N 2.9Å; P27-T81 WeakPolarHBondContact CB-OG1 3.42Å; P27-T82 HydrophobicContact CB-CG2 4.19Å; P27-T82 HydrophobicContact CG-CG2 3.4Å; P27-T82 VanDerWaalsContact CG-CG2 3.4Å
28P85.3Confident87Confident69 Ų6992.4 Ų92.445%0.44849%0.489SS..G310 helixtrans-54.9-28.8175.4-27.833.7000114.7L25 F30 I31L25-P28 WeakPolarHBondContact O-CD 3.09Å; P28-F30 PolarHBondContact O-N 3.41Å; P28-I31 PolarHBondContact O-N 3.07Å
29L88.2Confident87.3Confident130 Ų13089.4 Ų89.468%0.68147%0.468SS*.G310 helixtrans-67-23.3179.2-66.2161.1000112.6F26 P27 I31F26-L29 HydrophobicContact CD2-CD1 3.91Å; F26-L29 HydrophobicContact CE2-CD1 4.41Å; F26-L29 WeakPolarHBondContact O-CB 3.26Å; F26-L29 PolarHBondContact O-N 3.35Å; F26-L29 VanDerWaalsContact O-N 3.1Å; P27-L29 PolarHBondContact O-N 3.11Å; P27-L29 VanDerWaalsContact O-N 3.13Å; L29-I31 PolarHBondContact O-N 3.22Å
30F86.3Confident87.5Confident102 Ų10293.9 Ų93.945%0.44749%0.489SS..G310 helixtrans-76.5-2.9176.6-71.8-85.2000113.9F26 P27 P28 P32 L85F26-F30 AromaticContact CD1-CE2 3.65Å; F26-F30 HydrophobicContact CD1-CE2 3.65Å; F26-F30 HydrophobicContact CD1-CZ 4.36Å; F26-F30 AromaticContact CE1-CE2 3.32Å; F26-F30 HydrophobicContact CE1-CE2 3.32Å; F26-F30 AromaticContact CE1-CZ 3.57Å; F26-F30 HydrophobicContact CE1-CZ 3.57Å; F26-F30 HydrophobicContact CE2-CE2 4.49Å; F26-F30 HydrophobicContact CG-CE2 4.37Å; F26-F30 AromaticContact CZ-CE2 3.77Å; F26-F30 HydrophobicContact CZ-CE2 3.77Å; F26-F30 AromaticContact CZ-CZ 3.83Å; F26-F30 HydrophobicContact CZ-CZ 3.83Å; P27-F30 PolarHBondContact O-N 2.9Å; P28-F30 PolarHBondContact O-N 3.41Å; F30-P32 WeakPolarHBondContact O-CD 3.44Å; F30-L85 HydrophobicContact CD2-CD1 4.16Å; F30-L85 HydrophobicContact CD2-CD2 4.21Å; F30-L85 HydrophobicContact CE2-CD1 4.15Å; F30-L85 HydrophobicContact CE2-CD2 3.58Å; F30-L85 HydrophobicContact CE2-CG 4.33Å; F30-L85 HydrophobicContact CZ-CD2 4.18Å
31I88.2Confident87.7Confident50 Ų50103 Ų10326%0.25652%0.52SS..SBendtrans-112.972.4-173.8-55.9170.1000108.1P28 L29 I77P28-I31 PolarHBondContact O-N 3.07Å; L29-I31 PolarHBondContact O-N 3.22Å; I31-I77 HydrophobicContact CD1-CG2 3.35Å; I31-I77 HydrophobicContact CG1-CG2 4.33Å
32P87.7Confident88Confident54 Ų54105.6 Ų105.635%0.35153%0.525SS..  trans-67.2138-178.727.4-33.9000111.1F30 I43F30-P32 WeakPolarHBondContact O-CD 3.44Å; P32-I43 HydrophobicContact CB-CD1 4.43Å; P32-I43 HydrophobicContact CB-CG1 4.45Å; P32-I43 HydrophobicContact CG-CD1 4.45Å; P32-I43 HydrophobicContact CG-CG1 3.97Å
33T87.4Confident88.2Confident135 Ų135100.4 Ų100.483%0.82850%0.498SS*.  trans-104.1134.9172.359.70000110.3
34S88.6Confident88.4Confident39 Ų39101 Ų10127%0.27350%0.504SS..  trans-115.6145.5172170.70000110.7Y36 N39S34-Y36 PolarHBondContact OG-N 3.37Å; S34-Y36 VanDerWaalsContact OG-N 3.11Å; S34-N39 WeakPolarHBondContact CB-OD1 3.35Å; S34-N39 PolarHBondContact OG-OD1 2.86Å
35K87Confident88.6Confident214 Ų214102.4 Ų102.493%0.9352%0.515SS*.  trans-86.3-13.7174.3-63.9-179.6-179.3177.60112.8
36Y88.5Confident88.8Confident184 Ų18498.1 Ų98.172%0.72249%0.492SS*.SBendtrans-81153.3-175.6-59.7-73.3000111.9S34 N39S34-Y36 PolarHBondContact OG-N 3.37Å; S34-Y36 VanDerWaalsContact OG-N 3.11Å; Y36-N39 PolarHBondContact O-ND2 3.14Å; Y36-N39 PolarHBondContact O-OD1 2.96Å
37L81.1Confident88.9Confident176 Ų17698 Ų9892%0.92149%0.493SS*.SBendtrans-71.1-41.6176.2-175.470.5000111.4
38I88Confident89.1Confident155 Ų155105.7 Ų105.780%0.79552%0.521SS*.SBendtrans-99113.8175.1-60.8165.2000107.2
39N91.1Very high89.5Confident23 Ų23107 Ų10712%0.12352%0.524CS..  trans-109168.1-174.1-71.7-26.1000112.4S34 Y36 I43 T44 Q47S34-N39 WeakPolarHBondContact CB-OD1 3.35Å; S34-N39 PolarHBondContact OG-OD1 2.86Å; Y36-N39 PolarHBondContact O-ND2 3.14Å; Y36-N39 PolarHBondContact O-OD1 2.96Å; N39-I43 HydrophobicContact CB-CB 3.91Å; N39-I43 HydrophobicContact CB-CG2 3.77Å; N39-T44 HydrophobicContact CB-CG2 4.11Å; N39-Q47 PolarHBondContact ND2-NE2 3.37Å
40N91Very high89.7Confident114 Ų114103.3 Ų103.361%0.6151%0.505SS*.  trans-62.9153.3172-165.32.7000110.9L42 I43 T44N40-L42 PolarHBondContact O-N 3.31Å; N40-L42 VanDerWaalsContact O-N 3.1Å; N40-I43 PolarHBondContact O-N 3.28Å; N40-T44 PolarHBondContact O-N 3.34Å
41R90.3Very high89.9Confident212 Ų212105.9 Ų105.980%0.852%0.516SS*.Hα-helixtrans-51.7-36.9-177.8-64.3-177.6-178.9179.10.4113.1T44 T45R41-T44 WeakPolarHBondContact CA-OG1 3.12Å; R41-T44 PolarHBondContact O-N 3.41Å; R41-T44 PolarHBondContact O-OG1 2.98Å; R41-T45 WeakPolarHBondContact O-CG2 3.2Å; R41-T45 PolarHBondContact O-N 3.06Å; R41-T45 PolarHBondContact O-OG1 2.98Å
42L90.4Very high90.2Very high106 Ų106106.6 Ų106.656%0.55552%0.52SS*.Hα-helixtrans-67.6-41.3179.6-141.2166.1000111.6N40 T45 Q46N40-L42 PolarHBondContact O-N 3.31Å; N40-L42 VanDerWaalsContact O-N 3.1Å; L42-T45 PolarHBondContact O-OG1 2.98Å; L42-Q46 VanDerWaalsContact O-CB 3.31Å; L42-Q46 WeakPolarHBondContact O-CB 3.3Å; L42-Q46 PolarHBondContact O-N 3.48Å
43I92.4Very high90.3Very high18 Ų18105.5 Ų105.59%0.09251%0.512CS..Hα-helixtrans-71.7-36.8178.4-61.2173.7000110.1P32 N39 N40 Q46 Q47P32-I43 HydrophobicContact CB-CD1 4.43Å; P32-I43 HydrophobicContact CB-CG1 4.45Å; P32-I43 HydrophobicContact CG-CD1 4.45Å; P32-I43 HydrophobicContact CG-CG1 3.97Å; N39-I43 HydrophobicContact CB-CB 3.91Å; N39-I43 HydrophobicContact CB-CG2 3.77Å; N40-I43 PolarHBondContact O-N 3.28Å; I43-Q46 PolarHBondContact O-N 3.29Å; I43-Q47 HydrophobicContact CG2-CG 4.26Å; I43-Q47 WeakPolarHBondContact O-CB 3.21Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.43Å; I43-Q47 PolarHBondContact O-N 2.93Å
44T92.3Very high90.4Very high64 Ų64100.4 Ų100.439%0.39348%0.481SS..Hα-helixtrans-67.9-41.3178.259.90000112.1N39 N40 R41 Q47 W48N39-T44 HydrophobicContact CB-CG2 4.11Å; N40-T44 PolarHBondContact O-N 3.34Å; R41-T44 WeakPolarHBondContact CA-OG1 3.12Å; R41-T44 PolarHBondContact O-N 3.41Å; R41-T44 PolarHBondContact O-OG1 2.98Å; T44-Q47 PolarHBondContact O-N 3.24Å; T44-W48 VanDerWaalsContact O-CB 3.32Å; T44-W48 WeakPolarHBondContact O-CB 3.43Å; T44-W48 PolarHBondContact O-N 2.99Å
45T91.8Very high90.5Very high80 Ų80105.8 Ų105.849%0.49150%0.5SS..Hα-helixtrans-66-39.8174.6560000111.7R41 L42 W48 L49R41-T45 WeakPolarHBondContact O-CG2 3.2Å; R41-T45 PolarHBondContact O-N 3.06Å; R41-T45 PolarHBondContact O-OG1 2.98Å; L42-T45 PolarHBondContact O-OG1 2.98Å; T45-W48 PolarHBondContact O-N 3.16Å; T45-L49 PolarHBondContact O-N 3.3Å
46Q91.9Very high90.6Very high36 Ų36101.6 Ų101.617%0.16848%0.484CS..Hα-helixtrans-61.9-49.3174.6-174.8-164.7-49.400111.8L42 I43 W48 L49 I50L42-Q46 VanDerWaalsContact O-CB 3.31Å; L42-Q46 WeakPolarHBondContact O-CB 3.3Å; L42-Q46 PolarHBondContact O-N 3.48Å; I43-Q46 PolarHBondContact O-N 3.29Å; Q46-W48 VanDerWaalsContact C-N 3.27Å; Q46-W48 PolarHBondContact O-N 3.45Å; Q46-L49 PolarHBondContact O-N 2.85Å; Q46-I50 HydrophobicContact CG-CD1 3.96Å; Q46-I50 VanDerWaalsContact O-CG1 3.27Å; Q46-I50 WeakPolarHBondContact O-CG1 3.21Å; Q46-I50 PolarHBondContact O-N 3.27Å
47Q91.4Very high90.4Very high94 Ų9493.4 Ų93.444%0.43945%0.452SS..Hα-helixtrans-61-38.3177.4-74.9175.4-14.300111.8N39 I43 T44 I50 K51N39-Q47 PolarHBondContact ND2-NE2 3.37Å; I43-Q47 HydrophobicContact CG2-CG 4.26Å; I43-Q47 WeakPolarHBondContact O-CB 3.21Å; I43-Q47 VanDerWaalsContact O-CG 3.24Å; I43-Q47 WeakPolarHBondContact O-CG 3.43Å; I43-Q47 PolarHBondContact O-N 2.93Å; T44-Q47 PolarHBondContact O-N 3.24Å; Q47-I50 PolarHBondContact O-N 3.43Å; Q47-K51 WeakPolarHBondContact O-CB 3.35Å; Q47-K51 PolarHBondContact O-N 2.94Å
48W93.1Very high90.7Very high164 Ų16486 Ų8662%0.62141%0.413SS*.Hα-helixtrans-63.6-45.9174.9179.483.4000112T44 T45 Q46 K51 L52T44-W48 VanDerWaalsContact O-CB 3.32Å; T44-W48 WeakPolarHBondContact O-CB 3.43Å; T44-W48 PolarHBondContact O-N 2.99Å; T45-W48 PolarHBondContact O-N 3.16Å; Q46-W48 VanDerWaalsContact C-N 3.27Å; Q46-W48 PolarHBondContact O-N 3.45Å; W48-K51 PolarHBondContact O-N 3.28Å; W48-L52 HydrophobicContact CD2-CD1 3.73Å; W48-L52 HydrophobicContact CD2-CG 4.42Å; W48-L52 VanDerWaalsContact CE2-CD1 3.44Å; W48-L52 HydrophobicContact CE3-CD1 3.83Å; W48-L52 HydrophobicContact CH2-CD1 3.44Å; W48-L52 VanDerWaalsContact CH2-CD1 3.44Å; W48-L52 HydrophobicContact CZ2-CD1 3.33Å; W48-L52 HydrophobicContact CZ2-CG 4.46Å; W48-L52 HydrophobicContact CZ3-CD1 3.69Å; W48-L52 WeakPolarHBondContact O-CG 3.35Å; W48-L52 PolarHBondContact O-N 2.98Å
49L91.9Very high90.7Very high98 Ų9882.5 Ų82.551%0.51340%0.399SS..Hα-helixtrans-59.6-45.7174.6-96.4162.1000112.5T45 Q46 K51 L52 T53T45-L49 PolarHBondContact O-N 3.3Å; Q46-L49 PolarHBondContact O-N 2.85Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 3.35Å; L49-L52 PolarHBondContact O-N 3.42Å; L49-T53 WeakPolarHBondContact O-CG2 3.47Å; L49-T53 PolarHBondContact O-N 2.86Å; L49-T53 PolarHBondContact O-OG1 2.96Å
50I92.4Very high90.1Very high52 Ų5287.4 Ų87.427%0.26742%0.423SS..Hα-helixtrans-62-41.5177.7-67.4171000110.8Q46 Q47 T53 S54 V73 I77Q46-I50 HydrophobicContact CG-CD1 3.96Å; Q46-I50 VanDerWaalsContact O-CG1 3.27Å; Q46-I50 WeakPolarHBondContact O-CG1 3.21Å; Q46-I50 PolarHBondContact O-N 3.27Å; Q47-I50 PolarHBondContact O-N 3.43Å; I50-T53 WeakPolarHBondContact CA-OG1 3.34Å; I50-T53 PolarHBondContact O-OG1 2.97Å; I50-T53 VanDerWaalsContact O-OG1 3.05Å; I50-S54 VanDerWaalsContact O-CB 3.28Å; I50-S54 WeakPolarHBondContact O-CB 3.43Å; I50-S54 PolarHBondContact O-N 3.1Å; I50-S54 PolarHBondContact O-OG 3.33Å; I50-V73 HydrophobicContact CG2-CG1 3.87Å; I50-I77 HydrophobicContact CD1-CD1 3.99Å; I50-I77 HydrophobicContact CG1-CD1 3.76Å
51K92.2Very high89.8Confident156 Ų15682.3 Ų82.368%0.67840%0.395SS*.Hα-helixtrans-65.9-39.9178.3-174.1176.9-179.6178.60112.1Q47 W48 L49 S54 K55Q47-K51 WeakPolarHBondContact O-CB 3.35Å; Q47-K51 PolarHBondContact O-N 2.94Å; W48-K51 PolarHBondContact O-N 3.28Å; L49-K51 VanDerWaalsContact C-N 3.32Å; L49-K51 PolarHBondContact O-N 3.35Å; K51-S54 WeakPolarHBondContact CA-OG 3.02Å; K51-S54 PolarHBondContact O-OG 3.34Å; K51-S54 VanDerWaalsContact O-OG 3.09Å; K51-K55 VanDerWaalsContact O-CB 3.23Å; K51-K55 WeakPolarHBondContact O-CB 3.43Å; K51-K55 PolarHBondContact O-N 3.47Å
52L92.8Very high89.4Confident65 Ų6577.3 Ų77.334%0.3439%0.385SS..Hα-helixtrans-67.3-50.3177.9-75177.6000112.2W48 L49 K55 Q56W48-L52 HydrophobicContact CD2-CD1 3.73Å; W48-L52 HydrophobicContact CD2-CG 4.42Å; W48-L52 VanDerWaalsContact CE2-CD1 3.44Å; W48-L52 HydrophobicContact CE3-CD1 3.83Å; W48-L52 HydrophobicContact CH2-CD1 3.44Å; W48-L52 VanDerWaalsContact CH2-CD1 3.44Å; W48-L52 HydrophobicContact CZ2-CD1 3.33Å; W48-L52 HydrophobicContact CZ2-CG 4.46Å; W48-L52 HydrophobicContact CZ3-CD1 3.69Å; W48-L52 WeakPolarHBondContact O-CG 3.35Å; W48-L52 PolarHBondContact O-N 2.98Å; L49-L52 PolarHBondContact O-N 3.42Å; L52-K55 PolarHBondContact O-N 3.19Å; L52-Q56 WeakPolarHBondContact O-CG 3.17Å; L52-Q56 PolarHBondContact O-N 3.48Å
53T89.8Confident89Confident30 Ų3077.7 Ų77.718%0.18439%0.392CS..Hα-helixtrans-61.4-47.1-179.548.80000111.6L49 I50 K55 Q56 M57L49-T53 WeakPolarHBondContact O-CG2 3.47Å; L49-T53 PolarHBondContact O-N 2.86Å; L49-T53 PolarHBondContact O-OG1 2.96Å; I50-T53 WeakPolarHBondContact CA-OG1 3.34Å; I50-T53 PolarHBondContact O-OG1 2.97Å; I50-T53 VanDerWaalsContact O-OG1 3.05Å; T53-K55 PolarHBondContact O-N 2.83Å; T53-Q56 PolarHBondContact O-N 3.43Å; T53-M57 WeakPolarHBondContact O-CG 3.43Å; T53-M57 PolarHBondContact O-N 3.02Å
54S90.5Very high88.4Confident28 Ų2882.8 Ų82.820%0.19641%0.413CS..Hα-helixtrans-61.5-42.4175.458.30000112.3I50 K51 Q56 M58I50-S54 VanDerWaalsContact O-CB 3.28Å; I50-S54 WeakPolarHBondContact O-CB 3.43Å; I50-S54 PolarHBondContact O-N 3.1Å; I50-S54 PolarHBondContact O-OG 3.33Å; K51-S54 WeakPolarHBondContact CA-OG 3.02Å; K51-S54 PolarHBondContact O-OG 3.34Å; K51-S54 VanDerWaalsContact O-OG 3.09Å; S54-Q56 PolarHBondContact O-N 3.14Å; S54-M58 WeakPolarHBondContact O-CB 3.43Å; S54-M58 WeakPolarHBondContact O-CG 3.22Å; S54-M58 PolarHBondContact O-N 3.09Å
55K90.3Very high87.8Confident152 Ų15279.7 Ų79.766%0.66139%0.394SS*.Hα-helixtrans-60.9-45.8176.7-174.6-179.6178.6-174.50111.4K51 L52 T53 T59K51-K55 VanDerWaalsContact O-CB 3.23Å; K51-K55 WeakPolarHBondContact O-CB 3.43Å; K51-K55 PolarHBondContact O-N 3.47Å; L52-K55 PolarHBondContact O-N 3.19Å; T53-K55 PolarHBondContact O-N 2.83Å; K55-T59 WeakPolarHBondContact O-CG2 3.18Å; K55-T59 PolarHBondContact O-N 3.13Å
56Q88.3Confident87.5Confident126 Ų12682.2 Ų82.259%0.58940%0.395SS*.Hα-helixtrans-68.2-41.3-178.5-74.4179.2-24.900112.9L52 T53 S54 T59L52-Q56 WeakPolarHBondContact O-CG 3.17Å; L52-Q56 PolarHBondContact O-N 3.48Å; T53-Q56 PolarHBondContact O-N 3.43Å; S54-Q56 PolarHBondContact O-N 3.14Å; Q56-T59 PolarHBondContact O-OG1 3.27Å
57M86.1Confident87.3Confident13 Ų1385.4 Ų85.46%0.06442%0.416CS..Hα-helixtrans-71.3-37.3178.9-69.9-177.116900112.4T53 T59 H61 I76 Y212 T215T53-M57 WeakPolarHBondContact O-CG 3.43Å; T53-M57 PolarHBondContact O-N 3.02Å; M57-T59 VanDerWaalsContact C-N 3.34Å; M57-T59 PolarHBondContact O-N 2.82Å; M57-H61 PolarHBondContact O-ND1 3.09Å; M57-I76 HydrophobicContact CE-CB 4.46Å; M57-I76 HydrophobicContact CE-CD1 3.61Å; M57-Y212 HydrophobicContact CE-CD2 4.39Å; M57-T215 WeakPolarHBondContact CE-OG1 3.36Å
58M87.3Confident87.2Confident19 Ų1983.2 Ų83.29%0.09440%0.404CS..Hα-helixtrans-81.2-9.8-174.4-64.5-58.9122.100114.4S54 M60 H61 R66 S69 L72S54-M58 WeakPolarHBondContact O-CB 3.43Å; S54-M58 WeakPolarHBondContact O-CG 3.22Å; S54-M58 PolarHBondContact O-N 3.09Å; M58-M60 PolarHBondContact O-N 3.4Å; M58-H61 PolarHBondContact O-N 3.16Å; M58-R66 HydrophobicContact CB-CG 4.45Å; M58-R66 HydrophobicContact SD-CB 4.37Å; M58-R66 HydrophobicContact SD-CG 4.07Å; M58-S69 VanDerWaalsContact SD-CB 3.54Å; M58-L72 HydrophobicContact CE-CD1 3.82Å
59T86.3Confident86.9Confident82 Ų8276.9 Ų76.950%0.50339%0.385SS..THydrogen-bonded Turntrans-63.8-33.1175.355.50000112K55 Q56 M57 H61K55-T59 WeakPolarHBondContact O-CG2 3.18Å; K55-T59 PolarHBondContact O-N 3.13Å; Q56-T59 PolarHBondContact O-OG1 3.27Å; M57-T59 VanDerWaalsContact C-N 3.34Å; M57-T59 PolarHBondContact O-N 2.82Å; T59-H61 VanDerWaalsContact C-N 3.3Å; T59-H61 PolarHBondContact O-N 2.78Å
60M79.1Confident86.9Confident127 Ų12779.2 Ų79.263%0.62640%0.397SS*.THydrogen-bonded Turntrans-79.5-10.3-179.4-58.7-68.896.400113.2M58 H223M58-M60 PolarHBondContact O-N 3.4Å; M60-H223 PolarHBondContact O-CE1 3.28Å; M60-H223 PolarHBondContact O-ND1 2.99Å
61H84.1Confident86.9Confident6 Ų679.2 Ų79.23%0.02840%0.397CS..  trans-109.6139.6-167.8-69.581.1000114M57 M58 T59 R66 S219M57-H61 PolarHBondContact O-ND1 3.09Å; M58-H61 PolarHBondContact O-N 3.16Å; T59-H61 VanDerWaalsContact C-N 3.3Å; T59-H61 PolarHBondContact O-N 2.78Å; H61-R66 HydrophobicContact CB-CG 4.3Å; H61-R66 PolarHBondContact O-NE 3.16Å; H61-S219 PolarHBondContact NE2-O 3.08Å
62N82.6Confident86.9Confident108 Ų10871.9 Ų71.958%0.57837%0.365SS*.  trans-70.8169.8168.3-83.1-20.6000112.4K64 G65 R66N62-K64 VanDerWaalsContact C-N 3.29Å; N62-K64 PolarHBondContact O-N 3.13Å; N62-G65 PolarHBondContact O-N 3.35Å; N62-R66 WeakPolarHBondContact O-CG 3.45Å; N62-R66 PolarHBondContact O-N 3.22Å
63T81.9Confident86.9Confident114 Ų11469.4 Ų69.470%0.69935%0.353SS*.THydrogen-bonded Turntrans-54-39.2-17653.30000113.9R66T63-R66 PolarHBondContact O-N 2.99Å
64K80.8Confident87Confident124 Ų12471.2 Ų71.254%0.53937%0.366SS..THydrogen-bonded Turntrans-66.3-44.7174.5-69.6-176.8-178176.60112.1N62 R66 T67N62-K64 VanDerWaalsContact C-N 3.29Å; N62-K64 PolarHBondContact O-N 3.13Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 3.29Å; K64-T67 WeakPolarHBondContact O-CB 3.31Å; K64-T67 PolarHBondContact O-N 2.73Å; K64-T67 PolarHBondContact O-OG1 3.45Å
65G80.1Confident87Confident0 Ų070.7 Ų70.70%036%0.361CS..G310 helixtrans-64-32.3177.700000113N62 T67 W68 L222N62-G65 PolarHBondContact O-N 3.35Å; G65-T67 PolarHBondContact O-N 3.4Å; G65-T67 VanDerWaalsContact O-N 3.14Å; G65-W68 WeakPolarHBondContact O-CB 3.31Å; G65-W68 PolarHBondContact O-N 2.91Å; G65-L222 WeakPolarHBondContact O-CD2 3.28Å
66R85.1Confident87.1Confident133 Ų13364.3 Ų64.350%0.50233%0.334SS..G310 helixtrans-62.8-19.6176.1-71179.7-175.8-174.50.4114.2M58 H61 N62 T63 K64 W68 S69M58-R66 HydrophobicContact CB-CG 4.45Å; M58-R66 HydrophobicContact SD-CB 4.37Å; M58-R66 HydrophobicContact SD-CG 4.07Å; H61-R66 HydrophobicContact CB-CG 4.3Å; H61-R66 PolarHBondContact O-NE 3.16Å; N62-R66 WeakPolarHBondContact O-CG 3.45Å; N62-R66 PolarHBondContact O-N 3.22Å; T63-R66 PolarHBondContact O-N 2.99Å; K64-R66 VanDerWaalsContact C-N 3.28Å; K64-R66 PolarHBondContact O-N 3.29Å; R66-W68 PolarHBondContact O-N 3.46Å; R66-S69 WeakPolarHBondContact O-CB 3.39Å; R66-S69 PolarHBondContact O-N 3.38Å; R66-S69 VanDerWaalsContact O-N 3.11Å
67T87.4Confident87.3Confident102 Ų10260.2 Ų60.263%0.62632%0.316SS*.G310 helixtrans-63.6-25.6173.962.80000112.4K64 G65 S69K64-T67 WeakPolarHBondContact O-CB 3.31Å; K64-T67 PolarHBondContact O-N 2.73Å; K64-T67 PolarHBondContact O-OG1 3.45Å; G65-T67 PolarHBondContact O-N 3.4Å; G65-T67 VanDerWaalsContact O-N 3.14Å; T67-S69 VanDerWaalsContact C-N 3.26Å; T67-S69 PolarHBondContact O-N 2.93Å
68W88Confident87.5Confident49 Ų4961.9 Ų61.919%0.18632%0.323CS..G310 helixtrans-84.12.2177.3-73.259.3000113.5G65 R66 L70 M71 L72 M115 L222G65-W68 WeakPolarHBondContact O-CB 3.31Å; G65-W68 PolarHBondContact O-N 2.91Å; R66-W68 PolarHBondContact O-N 3.46Å; W68-L70 VanDerWaalsContact C-N 3.33Å; W68-L70 PolarHBondContact O-N 3.39Å; W68-M71 HydrophobicContact CD2-CE 4.2Å; W68-M71 HydrophobicContact CE3-CE 3.08Å; W68-M71 HydrophobicContact CE3-SD 3.64Å; W68-M71 HydrophobicContact CH2-SD 4.46Å; W68-M71 HydrophobicContact CZ3-CE 3.35Å; W68-M71 HydrophobicContact CZ3-SD 3.58Å; W68-M71 VanDerWaalsContact CZ3-SD 3.58Å; W68-M71 PolarHBondContact O-N 3.2Å; W68-M71 VanDerWaalsContact O-N 3.12Å; W68-L72 PolarHBondContact O-N 3.29Å; W68-M115 HydrophobicContact CZ2-SD 3.96Å; W68-M115 PolarHBondContact NE1-SD 2.67Å; W68-L222 HydrophobicContact CB-CD1 4.24Å; W68-L222 HydrophobicContact CB-CD2 3.75Å; W68-L222 HydrophobicContact CD2-CD1 3.35Å; W68-L222 HydrophobicContact CD2-CD2 4.48Å; W68-L222 HydrophobicContact CE3-CD1 3.43Å; W68-L222 VanDerWaalsContact CE3-CD1 3.43Å; W68-L222 HydrophobicContact CG-CD1 3.65Å; W68-L222 HydrophobicContact CG-CD2 3.9Å; W68-L222 HydrophobicContact CG-CG 4.44Å; W68-L222 HydrophobicContact CZ2-CD1 4.4Å; W68-L222 HydrophobicContact CZ3-CD1 4.06Å
69S88.8Confident87.8Confident30 Ų3061 Ų6121%0.2132%0.318CS..Hα-helixtrans-54.5-47.1-178-179.10000112.7M58 R66 T67 M71 L72 V73M58-S69 VanDerWaalsContact SD-CB 3.54Å; R66-S69 WeakPolarHBondContact O-CB 3.39Å; R66-S69 PolarHBondContact O-N 3.38Å; R66-S69 VanDerWaalsContact O-N 3.11Å; T67-S69 VanDerWaalsContact C-N 3.26Å; T67-S69 PolarHBondContact O-N 2.93Å; S69-M71 VanDerWaalsContact C-N 3.28Å; S69-M71 PolarHBondContact O-N 2.87Å; S69-L72 PolarHBondContact O-N 3.05Å; S69-V73 WeakPolarHBondContact O-CB 3.33Å; S69-V73 VanDerWaalsContact O-CG2 3.24Å; S69-V73 WeakPolarHBondContact O-CG2 3.45Å; S69-V73 PolarHBondContact O-N 3.46Å
70L91.8Very high88Confident147 Ų14758.4 Ų58.477%0.7731%0.305SS*.Hα-helixtrans-57.4-45.1179.7-174.378.7000111.2W68 S74W68-L70 VanDerWaalsContact C-N 3.33Å; W68-L70 PolarHBondContact O-N 3.39Å; L70-S74 WeakPolarHBondContact O-CB 3.34Å; L70-S74 PolarHBondContact O-N 3.11Å; L70-S74 PolarHBondContact O-OG 3.42Å
71M91.9Very high88.6Confident53 Ų5353.7 Ų53.726%0.26128%0.284SS..Hα-helixtrans-66.2-48.4-177.5-168.2-162.673.600111W68 S69 V73 S74 L75 L108W68-M71 HydrophobicContact CD2-CE 4.2Å; W68-M71 HydrophobicContact CE3-CE 3.08Å; W68-M71 HydrophobicContact CE3-SD 3.64Å; W68-M71 HydrophobicContact CH2-SD 4.46Å; W68-M71 HydrophobicContact CZ3-CE 3.35Å; W68-M71 HydrophobicContact CZ3-SD 3.58Å; W68-M71 VanDerWaalsContact CZ3-SD 3.58Å; W68-M71 PolarHBondContact O-N 3.2Å; W68-M71 VanDerWaalsContact O-N 3.12Å; S69-M71 VanDerWaalsContact C-N 3.28Å; S69-M71 PolarHBondContact O-N 2.87Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 3.34Å; M71-S74 PolarHBondContact O-N 3.06Å; M71-S74 PolarHBondContact O-OG 2.95Å; M71-L75 VanDerWaalsContact O-CB 3.28Å; M71-L75 WeakPolarHBondContact O-CB 3.25Å; M71-L75 PolarHBondContact O-N 3.12Å; M71-L108 HydrophobicContact CE-CD2 3.34Å; M71-L108 HydrophobicContact CG-CD2 4.22Å; M71-L108 HydrophobicContact SD-CD2 3.41Å; M71-L108 WeakPolarHBondContact SD-CD2 3.49Å
72L91.4Very high88.9Confident1 Ų153.6 Ų53.61%0.00528%0.284CS..Hα-helixtrans-61.4-41.4178.5-70.7170.3000112.5M58 W68 S69 L75 I76 V218M58-L72 HydrophobicContact CE-CD1 3.82Å; W68-L72 PolarHBondContact O-N 3.29Å; S69-L72 PolarHBondContact O-N 3.05Å; L72-L75 PolarHBondContact O-N 3.32Å; L72-I76 PolarHBondContact O-N 2.64Å; L72-V218 HydrophobicContact CD2-CB 4.23Å; L72-V218 HydrophobicContact CD2-CG1 3.88Å
73V92.3Very high89.3Confident14 Ų1448.5 Ų48.59%0.08526%0.257CS..Hα-helixtrans-67.6-42.9177.1172.50000111.1I50 S69 M71 L75 I76 I77I50-V73 HydrophobicContact CG2-CG1 3.87Å; S69-V73 WeakPolarHBondContact O-CB 3.33Å; S69-V73 VanDerWaalsContact O-CG2 3.24Å; S69-V73 WeakPolarHBondContact O-CG2 3.45Å; S69-V73 PolarHBondContact O-N 3.46Å; M71-V73 VanDerWaalsContact C-N 3.34Å; M71-V73 PolarHBondContact O-N 3.34Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 3.45Å; V73-I76 VanDerWaalsContact O-CG2 3.27Å; V73-I76 WeakPolarHBondContact O-CG2 3.32Å; V73-I77 HydrophobicContact CG1-CD1 3.76Å; V73-I77 VanDerWaalsContact O-CD1 3.31Å; V73-I77 WeakPolarHBondContact O-CD1 3.44Å; V73-I77 WeakPolarHBondContact O-CG1 3.19Å; V73-I77 PolarHBondContact O-N 3.47Å
74S92.2Very high89.7Confident68 Ų6847.5 Ų47.548%0.47625%0.246SC..Hα-helixtrans-62.8-37.9176.669.10000112L70 M71 F78L70-S74 WeakPolarHBondContact O-CB 3.34Å; L70-S74 PolarHBondContact O-N 3.11Å; L70-S74 PolarHBondContact O-OG 3.42Å; M71-S74 PolarHBondContact O-N 3.06Å; M71-S74 PolarHBondContact O-OG 2.95Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.38Å; S74-F78 PolarHBondContact O-N 3.24Å
75L91.6Very high90.2Very high16 Ų1643.1 Ų43.18%0.08423%0.229CC..Hα-helixtrans-66.4-48.2-179.8-174.685.6000112M71 L72 V73 I77 F78 I79 L108 F214 T215M71-L75 VanDerWaalsContact O-CB 3.28Å; M71-L75 WeakPolarHBondContact O-CB 3.25Å; M71-L75 PolarHBondContact O-N 3.12Å; L72-L75 PolarHBondContact O-N 3.32Å; V73-L75 VanDerWaalsContact C-N 3.28Å; V73-L75 PolarHBondContact O-N 3.45Å; L75-I77 VanDerWaalsContact C-N 3.3Å; L75-I77 PolarHBondContact O-N 3.35Å; L75-F78 PolarHBondContact O-N 3.14Å; L75-I79 HydrophobicContact CD1-CD1 4.2Å; L75-I79 HydrophobicContact CD2-CD1 4.49Å; L75-I79 HydrophobicContact CG-CD1 3.9Å; L75-I79 WeakPolarHBondContact O-CG1 3.3Å; L75-I79 PolarHBondContact O-N 3.2Å; L75-L108 HydrophobicContact CD1-CD1 3.43Å; L75-L108 VanDerWaalsContact CD1-CD1 3.43Å; L75-L108 HydrophobicContact CD2-CD1 3.91Å; L75-L108 HydrophobicContact CG-CD1 4.32Å; L75-F214 HydrophobicContact CD1-CE1 4.2Å; L75-F214 HydrophobicContact CD2-CD1 3.8Å; L75-F214 HydrophobicContact CD2-CE1 3.73Å; L75-F214 HydrophobicContact CG-CD1 4.42Å; L75-F214 HydrophobicContact CG-CE1 4.27Å; L75-T215 HydrophobicContact CB-CG2 4.23Å; L75-T215 HydrophobicContact CD2-CG2 3.49Å; L75-T215 VanDerWaalsContact CD2-CG2 3.49Å; L75-T215 HydrophobicContact CG-CG2 3.92Å
76I92.2Very high90.5Very high19 Ų1943.2 Ų43.210%0.09723%0.23CC..Hα-helixtrans-63.1-40.8-180-170.1168.4000110.9M57 L72 V73 A80 A211 Y212 T215M57-I76 HydrophobicContact CE-CB 4.46Å; M57-I76 HydrophobicContact CE-CD1 3.61Å; L72-I76 PolarHBondContact O-N 2.64Å; V73-I76 VanDerWaalsContact O-CG2 3.27Å; V73-I76 WeakPolarHBondContact O-CG2 3.32Å; I76-A80 WeakPolarHBondContact O-CB 3.2Å; I76-A80 PolarHBondContact O-N 3.49Å; I76-A211 HydrophobicContact CG1-CB 4.45Å; I76-Y212 HydrophobicContact CD1-CD2 4.14Å; I76-T215 VanDerWaalsContact CA-CG2 3.45Å; I76-T215 HydrophobicContact CB-CG2 3.46Å; I76-T215 VanDerWaalsContact CB-CG2 3.46Å; I76-T215 HydrophobicContact CG1-CG2 4.08Å
77I92.1Very high90.6Very high40 Ų4038.7 Ų38.721%0.20522%0.215CC..Hα-helixtrans-66.7-42.7178.8-62.7165.3000110.2I31 I50 V73 L75 T81I31-I77 HydrophobicContact CD1-CG2 3.35Å; I31-I77 HydrophobicContact CG1-CG2 4.33Å; I50-I77 HydrophobicContact CD1-CD1 3.99Å; I50-I77 HydrophobicContact CG1-CD1 3.76Å; V73-I77 HydrophobicContact CG1-CD1 3.76Å; V73-I77 VanDerWaalsContact O-CD1 3.31Å; V73-I77 WeakPolarHBondContact O-CD1 3.44Å; V73-I77 WeakPolarHBondContact O-CG1 3.19Å; V73-I77 PolarHBondContact O-N 3.47Å; L75-I77 VanDerWaalsContact C-N 3.3Å; L75-I77 PolarHBondContact O-N 3.35Å; I77-T81 HydrophobicContact CG2-CG2 4.26Å; I77-T81 WeakPolarHBondContact O-CB 3.14Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.2Å; I77-T81 PolarHBondContact O-N 3.18Å; I77-T81 PolarHBondContact O-OG1 3Å
78F91.6Very high90.6Very high47 Ų4738.6 Ų38.621%0.20621%0.21CC..Hα-helixtrans-62.4-49.1178.4179.4-102.4000112.5I24 S74 L75 T81 T82 M100 M104I24-F78 HydrophobicContact CG2-CZ 4.24Å; S74-F78 VanDerWaalsContact O-CB 3.28Å; S74-F78 WeakPolarHBondContact O-CB 3.38Å; S74-F78 PolarHBondContact O-N 3.24Å; L75-F78 PolarHBondContact O-N 3.14Å; F78-T81 PolarHBondContact O-OG1 3.2Å; F78-T81 VanDerWaalsContact O-OG1 3.1Å; F78-T82 HydrophobicContact CD2-CG2 4.31Å; F78-T82 HydrophobicContact CE1-CG2 4.21Å; F78-T82 HydrophobicContact CE2-CG2 3.91Å; F78-T82 HydrophobicContact CZ-CG2 3.85Å; F78-T82 WeakPolarHBondContact O-CB 3.41Å; F78-T82 WeakPolarHBondContact O-CG2 3.46Å; F78-T82 PolarHBondContact O-N 2.97Å; F78-T82 PolarHBondContact O-OG1 3.38Å; F78-M100 HydrophobicContact CE1-CE 3.76Å; F78-M100 HydrophobicContact CZ-CE 3.77Å; F78-M104 HydrophobicContact CD1-SD 3.91Å; F78-M104 HydrophobicContact CE1-CE 4.42Å; F78-M104 HydrophobicContact CE1-SD 3.6Å; F78-M104 VanDerWaalsContact CE1-SD 3.6Å
79I91.7Very high90.4Very high0 Ų041.6 Ų41.60%024%0.236CC..Hα-helixtrans-67.9-41.9-179.6-59.9169.4000110.6L75 T81 T82 N83 L160 A211 F214L75-I79 HydrophobicContact CD1-CD1 4.2Å; L75-I79 HydrophobicContact CD2-CD1 4.49Å; L75-I79 HydrophobicContact CG-CD1 3.9Å; L75-I79 WeakPolarHBondContact O-CG1 3.3Å; L75-I79 PolarHBondContact O-N 3.2Å; I79-T81 PolarHBondContact O-N 3.38Å; I79-T82 WeakPolarHBondContact CA-OG1 3.42Å; I79-T82 PolarHBondContact O-OG1 3Å; I79-N83 WeakPolarHBondContact CG2-ND2 3.49Å; I79-N83 VanDerWaalsContact O-CB 3.32Å; I79-N83 WeakPolarHBondContact O-CB 3.44Å; I79-N83 PolarHBondContact O-N 3.43Å; I79-N83 PolarHBondContact O-ND2 2.97Å; I79-N83 PolarHBondContact O-OD1 3.49Å; I79-L160 HydrophobicContact CG2-CD1 4.1Å; I79-L160 HydrophobicContact CG2-CD2 4.14Å; I79-A211 HydrophobicContact CB-CB 4.02Å; I79-A211 HydrophobicContact CG2-CB 3.76Å; I79-F214 HydrophobicContact CD1-CB 4.25Å; I79-F214 HydrophobicContact CD1-CD1 3.38Å; I79-F214 HydrophobicContact CD1-CD2 4.32Å; I79-F214 HydrophobicContact CD1-CE1 3.72Å; I79-F214 HydrophobicContact CD1-CG 3.74Å; I79-F214 HydrophobicContact CD1-CZ 4.31Å
80A91.2Very high90.1Very high28 Ų2849.8 Ų49.823%0.23127%0.271CS..Hα-helixtrans-63.4-44.3178.900000112I76 L84 A211I76-A80 WeakPolarHBondContact O-CB 3.2Å; I76-A80 PolarHBondContact O-N 3.49Å; A80-L84 VanDerWaalsContact O-CB 3.23Å; A80-L84 WeakPolarHBondContact O-CB 3.32Å; A80-L84 PolarHBondContact O-N 3.38Å; A80-A211 HydrophobicContact CB-CB 3.93Å
81T91.4Very high89.8Confident29 Ų2944.3 Ų44.318%0.17825%0.245CC..Hα-helixtrans-69.2-44.3-179.951.80000112.1P27 I77 F78 I79 N83 L84 L85P27-T81 WeakPolarHBondContact CB-OG1 3.42Å; I77-T81 HydrophobicContact CG2-CG2 4.26Å; I77-T81 WeakPolarHBondContact O-CB 3.14Å; I77-T81 VanDerWaalsContact O-CG2 3.26Å; I77-T81 WeakPolarHBondContact O-CG2 3.2Å; I77-T81 PolarHBondContact O-N 3.18Å; I77-T81 PolarHBondContact O-OG1 3Å; F78-T81 PolarHBondContact O-OG1 3.2Å; F78-T81 VanDerWaalsContact O-OG1 3.1Å; I79-T81 PolarHBondContact O-N 3.38Å; T81-N83 PolarHBondContact O-N 3.05Å; T81-L84 PolarHBondContact O-N 3.36Å; T81-L85 WeakPolarHBondContact O-CB 3.11Å; T81-L85 WeakPolarHBondContact O-CD1 3.36Å; T81-L85 PolarHBondContact O-N 3.05Å
82T91.3Very high89.4Confident4 Ų443.1 Ų43.13%0.02524%0.238CC..Hα-helixtrans-61-43.6176.247.60000112.6P27 F78 I79 G86P27-T82 HydrophobicContact CB-CG2 4.19Å; P27-T82 HydrophobicContact CG-CG2 3.4Å; P27-T82 VanDerWaalsContact CG-CG2 3.4Å; F78-T82 HydrophobicContact CD2-CG2 4.31Å; F78-T82 HydrophobicContact CE1-CG2 4.21Å; F78-T82 HydrophobicContact CE2-CG2 3.91Å; F78-T82 HydrophobicContact CZ-CG2 3.85Å; F78-T82 WeakPolarHBondContact O-CB 3.41Å; F78-T82 WeakPolarHBondContact O-CG2 3.46Å; F78-T82 PolarHBondContact O-N 2.97Å; F78-T82 PolarHBondContact O-OG1 3.38Å; I79-T82 WeakPolarHBondContact CA-OG1 3.42Å; I79-T82 PolarHBondContact O-OG1 3Å; T82-G86 PolarHBondContact O-N 2.95Å
83N91.5Very high89.1Confident1 Ų143.2 Ų43.21%0.00524%0.239CC..Hα-helixtrans-67.3-41.8178.8-67.4-12.4000112I79 T81 G86 L87 T95 I164 A207I79-N83 WeakPolarHBondContact CG2-ND2 3.49Å; I79-N83 VanDerWaalsContact O-CB 3.32Å; I79-N83 WeakPolarHBondContact O-CB 3.44Å; I79-N83 PolarHBondContact O-N 3.43Å; I79-N83 PolarHBondContact O-ND2 2.97Å; I79-N83 PolarHBondContact O-OD1 3.49Å; T81-N83 PolarHBondContact O-N 3.05Å; N83-G86 WeakPolarHBondContact O-CA 3.5Å; N83-G86 PolarHBondContact O-N 2.92Å; N83-G86 VanDerWaalsContact O-N 3.14Å; N83-L87 PolarHBondContact O-N 3.19Å; N83-T95 WeakPolarHBondContact OD1-CB 3.26Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.34Å; N83-T95 PolarHBondContact OD1-OG1 3.12Å; N83-I164 HydrophobicContact CB-CD1 4.29Å; N83-I164 VanDerWaalsContact CG-CD1 3.4Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.3Å; N83-A207 HydrophobicContact CB-CB 3.91Å; N83-A207 PolarHBondContact ND2-O 3.22Å
84L90.4Very high88.7Confident92 Ų9243 Ų4348%0.48224%0.238SC..Hα-helixtrans-72.4-40.2-177-163.8138.7000112.1A80 T81 G86 L87A80-L84 VanDerWaalsContact O-CB 3.23Å; A80-L84 WeakPolarHBondContact O-CB 3.32Å; A80-L84 PolarHBondContact O-N 3.38Å; T81-L84 PolarHBondContact O-N 3.36Å; L84-G86 PolarHBondContact O-N 3.08Å; L84-L87 PolarHBondContact O-N 2.83Å
85L90.1Very high88.4Confident32 Ų3239.8 Ų39.817%0.16822%0.215CC..Hα-helixtrans-59.4-33.1168.4-96.982.9000111.7F26 F30 T81 L87 L88 S91F26-L85 HydrophobicContact CD1-CD2 3.41Å; F26-L85 VanDerWaalsContact CD1-CD2 3.41Å; F26-L85 HydrophobicContact CE1-CD2 3.71Å; F30-L85 HydrophobicContact CD2-CD1 4.16Å; F30-L85 HydrophobicContact CD2-CD2 4.21Å; F30-L85 HydrophobicContact CE2-CD1 4.15Å; F30-L85 HydrophobicContact CE2-CD2 3.58Å; F30-L85 HydrophobicContact CE2-CG 4.33Å; F30-L85 HydrophobicContact CZ-CD2 4.18Å; T81-L85 WeakPolarHBondContact O-CB 3.11Å; T81-L85 WeakPolarHBondContact O-CD1 3.36Å; T81-L85 PolarHBondContact O-N 3.05Å; L85-L87 PolarHBondContact O-N 3.16Å; L85-L88 VanDerWaalsContact O-CB 3.27Å; L85-L88 WeakPolarHBondContact O-CB 3.4Å; L85-L88 VanDerWaalsContact O-CG 3.29Å; L85-L88 WeakPolarHBondContact O-CG 3.06Å; L85-L88 PolarHBondContact O-N 3.39Å; L85-L88 VanDerWaalsContact O-N 3.17Å; L85-S91 PolarHBondContact O-OG 2.89Å; L85-S91 VanDerWaalsContact O-OG 3.11Å
86G86.4Confident88.1Confident2 Ų239.5 Ų39.52%0.02121%0.214CC..THydrogen-bonded Turntrans-62.4-22.1178.200000117.1T82 N83 L84 L88 S91 T93 H168T82-G86 PolarHBondContact O-N 2.95Å; N83-G86 WeakPolarHBondContact O-CA 3.5Å; N83-G86 PolarHBondContact O-N 2.92Å; N83-G86 VanDerWaalsContact O-N 3.14Å; L84-G86 PolarHBondContact O-N 3.08Å; G86-L88 VanDerWaalsContact C-N 3.25Å; G86-S91 VanDerWaalsContact C-OG 3.28Å; G86-S91 WeakPolarHBondContact CA-OG 3.28Å; G86-S91 PolarHBondContact O-OG 2.94Å; G86-T93 WeakPolarHBondContact O-CG2 3.42Å; G86-H168 PolarHBondContact O-CE1 3.17Å; G86-H168 PolarHBondContact O-NE2 2.71Å
87L87.3Confident88Confident38 Ų3841.8 Ų41.820%0.19922%0.224CC..THydrogen-bonded Turntrans-83.8-5.2178.1-61.8175.6000112.3N83 L84 L85 M171 E203 I204 A207N83-L87 PolarHBondContact O-N 3.19Å; L84-L87 PolarHBondContact O-N 2.83Å; L85-L87 PolarHBondContact O-N 3.16Å; L87-M171 HydrophobicContact CD2-CE 4.02Å; L87-E203 HydrophobicContact CD1-CG 4.37Å; L87-E203 HydrophobicContact CD2-CB 4.22Å; L87-E203 HydrophobicContact CD2-CG 3.4Å; L87-I204 HydrophobicContact CD1-CB 4.23Å; L87-I204 HydrophobicContact CD1-CG1 3.63Å; L87-A207 HydrophobicContact CD1-CB 4.1Å
88L87.9Confident87.8Confident100 Ų10043.1 Ų43.152%0.52423%0.232SC..SBendtrans-66.6143.9174.9-65.6172.5000110.5L85 G86 H90 S91L85-L88 VanDerWaalsContact O-CB 3.27Å; L85-L88 WeakPolarHBondContact O-CB 3.4Å; L85-L88 VanDerWaalsContact O-CG 3.29Å; L85-L88 WeakPolarHBondContact O-CG 3.06Å; L85-L88 PolarHBondContact O-N 3.39Å; L85-L88 VanDerWaalsContact O-N 3.17Å; G86-L88 VanDerWaalsContact C-N 3.25Å; L88-H90 PolarHBondContact O-N 3.37Å; L88-S91 WeakPolarHBondContact O-CB 3.32Å; L88-S91 PolarHBondContact O-N 3.17Å; L88-S91 VanDerWaalsContact O-N 3.15Å; L88-S91 PolarHBondContact O-OG 3.27Å
89P83.1Confident87.7Confident112 Ų11244.9 Ų44.973%0.72725%0.25SC*.THydrogen-bonded Turntrans-58.7134.8-179.524.9-33.9000110.6S91P89-S91 PolarHBondContact O-N 2.92Å; P89-S91 VanDerWaalsContact O-N 3.12Å
90H83.3Confident87.5Confident202 Ų20246.8 Ų46.894%0.93526%0.259SS*.THydrogen-bonded Turntrans57.418.4-178.8-56-58.3000115.8L88L88-H90 PolarHBondContact O-N 3.37Å
91S84.8Confident87.4Confident32 Ų3245.4 Ų45.422%0.22425%0.248CC..  trans-81.7139.217268.40000111.2L85 G86 L88 P89L85-S91 PolarHBondContact O-OG 2.89Å; L85-S91 VanDerWaalsContact O-OG 3.11Å; G86-S91 VanDerWaalsContact C-OG 3.28Å; G86-S91 WeakPolarHBondContact CA-OG 3.28Å; G86-S91 PolarHBondContact O-OG 2.94Å; L88-S91 WeakPolarHBondContact O-CB 3.32Å; L88-S91 PolarHBondContact O-N 3.17Å; L88-S91 VanDerWaalsContact O-N 3.15Å; L88-S91 PolarHBondContact O-OG 3.27Å; P89-S91 PolarHBondContact O-N 2.92Å; P89-S91 VanDerWaalsContact O-N 3.12Å
92F83.4Confident87.2Confident29 Ų2946 Ų4613%0.12725%0.25CC..  trans-85.5124.6170.2173.1-95.8000109.5S8 A11 P12 A20 I23 P94 Q97S8-F92 WeakPolarHBondContact O-CD2 3.38Å; A11-F92 HydrophobicContact CB-CZ 4.48Å; P12-F92 HydrophobicContact CG-CB 4.4Å; P12-F92 HydrophobicContact CG-CD1 4.18Å; P12-F92 HydrophobicContact CG-CG 4.11Å; A20-F92 HydrophobicContact CB-CE1 4.38Å; I23-F92 HydrophobicContact CD1-CB 4.13Å; I23-F92 HydrophobicContact CD1-CD1 3.95Å; I23-F92 HydrophobicContact CD1-CG 4.4Å; I23-F92 HydrophobicContact CG2-CD1 4.37Å; F92-P94 HydrophobicContact CE1-CB 4.36Å; F92-P94 WeakPolarHBondContact O-CD 3.45Å; F92-Q97 HydrophobicContact CZ-CG 4.15Å
93T84.6Confident87.1Confident3 Ų348.9 Ų48.92%0.01827%0.274CS..  trans-95110.3178.229.10000110.9G86 T95 T96 I164G86-T93 WeakPolarHBondContact O-CG2 3.42Å; T93-T95 PolarHBondContact O-N 2.83Å; T93-T96 PolarHBondContact O-N 2.97Å; T93-T96 PolarHBondContact O-OG1 2.93Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.47Å; T93-I164 HydrophobicContact CG2-CG2 4.35Å
94P83.9Confident86.9Confident9 Ų950 Ų506%0.05828%0.279CS..G310 helixtrans-63.9-23.6177.425.9-33.4000112.7I24 F92 T96 Q97 M100I24-P94 HydrophobicContact CD1-CB 4.29Å; I24-P94 HydrophobicContact CG1-CB 3.71Å; I24-P94 HydrophobicContact CG1-CG 4.07Å; F92-P94 HydrophobicContact CE1-CB 4.36Å; F92-P94 WeakPolarHBondContact O-CD 3.45Å; P94-T96 VanDerWaalsContact C-N 3.26Å; P94-T96 PolarHBondContact O-N 3.03Å; P94-Q97 PolarHBondContact O-N 3.26Å; P94-M100 WeakPolarHBondContact O-CB 3.37Å
95T86.4Confident86.8Confident0 Ų045.6 Ų45.60%026%0.257CS..G310 helixtrans-75.8-7.5179.251.50000114.4N83 T93 Q97 N101 I164N83-T95 WeakPolarHBondContact OD1-CB 3.26Å; N83-T95 WeakPolarHBondContact OD1-CG2 3.34Å; N83-T95 PolarHBondContact OD1-OG1 3.12Å; T93-T95 PolarHBondContact O-N 2.83Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; T95-N101 PolarHBondContact O-ND2 3.12Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.44Å
96T86.4Confident86.7Confident10 Ų1048 Ų486%0.06127%0.268CS..G310 helixtrans-74.3-26.5169.5570000112.4F9 T93 P94 L98 T161 I164 T165F9-T96 HydrophobicContact CD1-CG2 3.83Å; F9-T96 HydrophobicContact CE1-CG2 3.72Å; T93-T96 PolarHBondContact O-N 2.97Å; T93-T96 PolarHBondContact O-OG1 2.93Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.47Å; P94-T96 VanDerWaalsContact C-N 3.26Å; P94-T96 PolarHBondContact O-N 3.03Å; T96-L98 PolarHBondContact O-N 3.4Å; T96-T161 WeakPolarHBondContact O-CG2 3.31Å; T96-I164 HydrophobicContact CG2-CB 4.37Å; T96-I164 HydrophobicContact CG2-CG2 3.66Å; T96-T165 HydrophobicContact CG2-CG2 3.73Å
97Q89.5Confident86.9Confident67 Ų6751.6 Ų51.631%0.31329%0.292SS..SBendtrans-78.6121179-66.1-63.8-29.100109.9F9 F92 P94 T95 S99 M100 N101F9-Q97 PolarHBondContact O-NE2 3.1Å; F92-Q97 HydrophobicContact CZ-CG 4.15Å; P94-Q97 PolarHBondContact O-N 3.26Å; T95-Q97 VanDerWaalsContact C-N 3.32Å; Q97-S99 PolarHBondContact O-N 3.1Å; Q97-M100 PolarHBondContact O-N 3.42Å; Q97-M100 VanDerWaalsContact O-N 3.11Å; Q97-N101 PolarHBondContact O-N 3.37Å
98L87.3Confident87Confident69 Ų6950.8 Ų50.836%0.36129%0.288SS..Hα-helixtrans-58.4-33.2178.6-17764000112.1T96 M100 N101 L102 A157 V158 T161T96-L98 PolarHBondContact O-N 3.4Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.34Å; L98-N101 PolarHBondContact O-N 3.12Å; L98-L102 WeakPolarHBondContact O-CB 3.5Å; L98-L102 PolarHBondContact O-N 3.23Å; L98-A157 HydrophobicContact CD1-CB 4.3Å; L98-V158 HydrophobicContact CD1-CG2 3.88Å; L98-T161 VanDerWaalsContact CA-CG2 3.44Å; L98-T161 HydrophobicContact CB-CG2 4.03Å; L98-T161 HydrophobicContact CD1-CG2 4.02Å
99S88.8Confident86.9Confident84 Ų8447.9 Ų47.959%0.58727%0.27SS*.Hα-helixtrans-56.6-44176.656.10000112.5Q97 A103Q97-S99 PolarHBondContact O-N 3.1Å; S99-A103 WeakPolarHBondContact O-CB 3.29Å; S99-A103 PolarHBondContact O-N 3.49Å
100M88.2Confident87.1Confident39 Ų3943.9 Ų43.919%0.19225%0.246CC..Hα-helixtrans-67.3-46.8-179.2-176.356.9-171.100111.2I24 F78 P94 Q97 L98 L102 A103 M104I24-M100 HydrophobicContact CD1-SD 4.35Å; I24-M100 HydrophobicContact CG2-CE 4.29Å; F78-M100 HydrophobicContact CE1-CE 3.76Å; F78-M100 HydrophobicContact CZ-CE 3.77Å; P94-M100 WeakPolarHBondContact O-CB 3.37Å; Q97-M100 PolarHBondContact O-N 3.42Å; Q97-M100 VanDerWaalsContact O-N 3.11Å; L98-M100 VanDerWaalsContact C-N 3.32Å; L98-M100 PolarHBondContact O-N 3.34Å; M100-L102 VanDerWaalsContact C-N 3.35Å; M100-L102 PolarHBondContact O-N 2.95Å; M100-A103 PolarHBondContact O-N 3.4Å; M100-M104 HydrophobicContact CE-CE 3.97Å; M100-M104 HydrophobicContact CE-CG 4.29Å; M100-M104 HydrophobicContact CE-SD 3.96Å; M100-M104 HydrophobicContact CG-CE 3.84Å; M100-M104 PolarHBondContact O-N 3.37Å
101N88.9Confident87.3Confident0 Ų035.3 Ų35.30%021%0.212CC..Hα-helixtrans-67.7-37.2-178.9-66.2-10.8000112T95 Q97 L98 M104 A105 A157 L160 T161T95-N101 PolarHBondContact O-ND2 3.12Å; Q97-N101 PolarHBondContact O-N 3.37Å; L98-N101 PolarHBondContact O-N 3.12Å; N101-M104 PolarHBondContact O-N 2.78Å; N101-M104 WeakPolarHBondContact OD1-CE 3.39Å; N101-A105 VanDerWaalsContact O-CB 3.3Å; N101-A105 WeakPolarHBondContact O-CB 3.28Å; N101-A105 PolarHBondContact O-N 3.3Å; N101-A157 HydrophobicContact CB-CB 3.9Å; N101-A157 PolarHBondContact ND2-O 3.41Å; N101-L160 HydrophobicContact CB-CD2 4.34Å; N101-L160 VanDerWaalsContact CG-CD2 3.45Å; N101-L160 WeakPolarHBondContact ND2-CB 3.12Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.24Å; N101-L160 VanDerWaalsContact ND2-CG 3.33Å; N101-L160 WeakPolarHBondContact ND2-CG 3.42Å; N101-L160 VanDerWaalsContact OD1-CD2 3.31Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.12Å; N101-T161 HydrophobicContact CB-CG2 4.29Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.07Å; N101-T161 PolarHBondContact ND2-N 2.88Å
102L87.1Confident87.3Confident41 Ų4133.8 Ų33.822%0.21520%0.202CC..Hα-helixtrans-69.8-39176.5-16569.1000111.4L98 M100 M104 A105 I106 M154 A157L98-L102 WeakPolarHBondContact O-CB 3.5Å; L98-L102 PolarHBondContact O-N 3.23Å; M100-L102 VanDerWaalsContact C-N 3.35Å; M100-L102 PolarHBondContact O-N 2.95Å; L102-M104 PolarHBondContact O-N 3.26Å; L102-A105 PolarHBondContact O-N 3.15Å; L102-I106 HydrophobicContact CD1-CD1 3.71Å; L102-I106 HydrophobicContact CD1-CG1 3.8Å; L102-I106 HydrophobicContact CD2-CD1 3.95Å; L102-I106 HydrophobicContact CG-CD1 3.48Å; L102-I106 VanDerWaalsContact CG-CD1 3.48Å; L102-I106 HydrophobicContact CG-CG1 3.93Å; L102-I106 WeakPolarHBondContact O-CG1 3.22Å; L102-I106 PolarHBondContact O-N 2.93Å; L102-M154 HydrophobicContact CD1-SD 3.91Å; L102-A157 HydrophobicContact CB-CB 4.42Å; L102-A157 HydrophobicContact CD1-CB 4.16Å
103A89.6Confident87.3Confident65 Ų6533.1 Ų33.154%0.53720%0.2SC..Hα-helixtrans-62.9-29173.600000112.8S99 M100 P107S99-A103 WeakPolarHBondContact O-CB 3.29Å; S99-A103 PolarHBondContact O-N 3.49Å; M100-A103 PolarHBondContact O-N 3.4Å; A103-P107 WeakPolarHBondContact O-CD 3.08Å; A103-P107 WeakPolarHBondContact O-CG 3.36Å
104M87.1Confident87.3Confident23 Ų2337.7 Ų37.711%0.11322%0.223CC..Hα-helixtrans-79.3-46170.7-70.5-176.1-77.400112.2F78 M100 N101 L102 L108 F214F78-M104 HydrophobicContact CD1-SD 3.91Å; F78-M104 HydrophobicContact CE1-CE 4.42Å; F78-M104 HydrophobicContact CE1-SD 3.6Å; F78-M104 VanDerWaalsContact CE1-SD 3.6Å; M100-M104 HydrophobicContact CE-CE 3.97Å; M100-M104 HydrophobicContact CE-CG 4.29Å; M100-M104 HydrophobicContact CE-SD 3.96Å; M100-M104 HydrophobicContact CG-CE 3.84Å; M100-M104 PolarHBondContact O-N 3.37Å; N101-M104 PolarHBondContact O-N 2.78Å; N101-M104 WeakPolarHBondContact OD1-CE 3.39Å; L102-M104 PolarHBondContact O-N 3.26Å; M104-L108 WeakPolarHBondContact O-CD1 3.37Å; M104-L108 WeakPolarHBondContact O-CG 3.33Å; M104-F214 HydrophobicContact CB-CZ 4.45Å
105A87.7Confident87.3Confident1 Ų139.5 Ų39.51%0.00823%0.231CC..Hα-helixtrans-70.9-45-171.400000113.6N101 L102 L108 W109 L156 A157 F214N101-A105 VanDerWaalsContact O-CB 3.3Å; N101-A105 WeakPolarHBondContact O-CB 3.28Å; N101-A105 PolarHBondContact O-N 3.3Å; L102-A105 PolarHBondContact O-N 3.15Å; A105-L108 PolarHBondContact O-N 3.18Å; A105-W109 VanDerWaalsContact O-CB 3.31Å; A105-W109 WeakPolarHBondContact O-CB 3.46Å; A105-W109 PolarHBondContact O-N 2.85Å; A105-L156 HydrophobicContact CB-CD2 4.18Å; A105-A157 HydrophobicContact CB-CB 4.23Å; A105-F214 HydrophobicContact CB-CE2 4.35Å; A105-F214 HydrophobicContact CB-CZ 4.14Å
106I88.9Confident86.9Confident81 Ų8139.5 Ų39.542%0.41523%0.232SC..Hα-helixtrans-62.4-50.1-174.9-65.1177.2000111.8L102 L108 W109 A110L102-I106 HydrophobicContact CD1-CD1 3.71Å; L102-I106 HydrophobicContact CD1-CG1 3.8Å; L102-I106 HydrophobicContact CD2-CD1 3.95Å; L102-I106 HydrophobicContact CG-CD1 3.48Å; L102-I106 VanDerWaalsContact CG-CD1 3.48Å; L102-I106 HydrophobicContact CG-CG1 3.93Å; L102-I106 WeakPolarHBondContact O-CG1 3.22Å; L102-I106 PolarHBondContact O-N 2.93Å; I106-L108 VanDerWaalsContact C-N 3.35Å; I106-L108 PolarHBondContact O-N 3.38Å; I106-W109 PolarHBondContact O-N 3.17Å; I106-A110 WeakPolarHBondContact O-CB 3.31Å; I106-A110 PolarHBondContact O-N 3.42Å
107P90.4Very high86.6Confident79 Ų7942.8 Ų42.851%0.51325%0.245SC..Hα-helixtrans-65.1-37.4-178.2-23.836.5000113.1A103 G111A103-P107 WeakPolarHBondContact O-CD 3.08Å; A103-P107 WeakPolarHBondContact O-CG 3.36Å; P107-G111 PolarHBondContact O-N 2.69Å
108L89Confident86.1Confident21 Ų2149.8 Ų49.811%0.1127%0.269CS..Hα-helixtrans-65.4-46.7178.3-69.1169.2000111.5M71 L75 M104 A105 I106 G111 A112 F214 V218M71-L108 HydrophobicContact CE-CD2 3.34Å; M71-L108 HydrophobicContact CG-CD2 4.22Å; M71-L108 HydrophobicContact SD-CD2 3.41Å; M71-L108 WeakPolarHBondContact SD-CD2 3.49Å; L75-L108 HydrophobicContact CD1-CD1 3.43Å; L75-L108 VanDerWaalsContact CD1-CD1 3.43Å; L75-L108 HydrophobicContact CD2-CD1 3.91Å; L75-L108 HydrophobicContact CG-CD1 4.32Å; M104-L108 WeakPolarHBondContact O-CD1 3.37Å; M104-L108 WeakPolarHBondContact O-CG 3.33Å; A105-L108 PolarHBondContact O-N 3.18Å; I106-L108 VanDerWaalsContact C-N 3.35Å; I106-L108 PolarHBondContact O-N 3.38Å; L108-G111 PolarHBondContact O-N 3.4Å; L108-A112 PolarHBondContact O-N 3.24Å; L108-A112 VanDerWaalsContact O-N 3.09Å; L108-F214 HydrophobicContact CD1-CE1 4.13Å; L108-V218 HydrophobicContact CB-CG1 4.28Å
109W87.4Confident85.3Confident39 Ų3948.7 Ų48.715%0.14827%0.267CS..Hα-helixtrans-64.3-47.5176.2171.989.9000111.4A105 I106 G111 A112 V113 L149 L150 P153A105-W109 VanDerWaalsContact O-CB 3.31Å; A105-W109 WeakPolarHBondContact O-CB 3.46Å; A105-W109 PolarHBondContact O-N 2.85Å; I106-W109 PolarHBondContact O-N 3.17Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 2.75Å; W109-A112 PolarHBondContact O-N 3.06Å; W109-A112 VanDerWaalsContact O-N 3.14Å; W109-V113 HydrophobicContact CD2-CG2 4.09Å; W109-V113 HydrophobicContact CH2-CG2 4.4Å; W109-V113 HydrophobicContact CZ2-CG2 3.91Å; W109-V113 WeakPolarHBondContact O-CG2 3.31Å; W109-V113 PolarHBondContact O-N 3.35Å; W109-L149 HydrophobicContact CH2-CD2 4.05Å; W109-L149 HydrophobicContact CZ2-CD2 3.42Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.42Å; W109-L149 HydrophobicContact CZ2-CG 3.85Å; W109-L149 WeakPolarHBondContact CZ2-O 3.32Å; W109-L149 PolarHBondContact NE1-O 3.28Å; W109-L150 HydrophobicContact CH2-CD2 3.79Å; W109-L150 HydrophobicContact CZ2-CD2 4.36Å; W109-P153 HydrophobicContact CB-CB 3.89Å; W109-P153 HydrophobicContact CB-CG 4.37Å; W109-P153 HydrophobicContact CD2-CB 4.28Å; W109-P153 HydrophobicContact CD2-CG 3.77Å; W109-P153 HydrophobicContact CE3-CG 4.25Å; W109-P153 HydrophobicContact CG-CB 3.84Å; W109-P153 HydrophobicContact CG-CG 3.81Å
110A86.7Confident84.6Confident27 Ų2749.2 Ų49.222%0.22326%0.259CS..Hα-helixtrans-60.5-40.8178.800000111I106 V113 I114I106-A110 WeakPolarHBondContact O-CB 3.31Å; I106-A110 PolarHBondContact O-N 3.42Å; A110-V113 PolarHBondContact O-N 2.94Å; A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.49Å; A110-I114 WeakPolarHBondContact O-CD1 3.42Å; A110-I114 WeakPolarHBondContact O-CG1 3.49Å; A110-I114 PolarHBondContact O-N 3.32Å
111G86.6Confident83.6Confident22 Ų2252.6 Ų52.623%0.22728%0.276CS..Hα-helixtrans-59.8-45174.600000113P107 L108 W109 M115P107-G111 PolarHBondContact O-N 2.69Å; L108-G111 PolarHBondContact O-N 3.4Å; W109-G111 VanDerWaalsContact C-N 3.28Å; W109-G111 PolarHBondContact O-N 2.75Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.48Å; G111-M115 PolarHBondContact O-N 2.89Å
112A84.7Confident82.6Confident1 Ų161.6 Ų61.61%0.00832%0.316CS..Hα-helixtrans-63.5-45.917700000111.9L108 W109 M115 G116 L222L108-A112 PolarHBondContact O-N 3.24Å; L108-A112 VanDerWaalsContact O-N 3.09Å; W109-A112 PolarHBondContact O-N 3.06Å; W109-A112 VanDerWaalsContact O-N 3.14Å; A112-M115 PolarHBondContact O-N 3.32Å; A112-G116 PolarHBondContact O-N 3.16Å; A112-L222 HydrophobicContact CB-CD1 4.41Å
113V84.5Confident81.8Confident15 Ų1563.8 Ų63.89%0.09133%0.328CS..Hα-helixtrans-64.4-46.8179172.60000111.4W109 A110 M115 G116 F117W109-V113 HydrophobicContact CD2-CG2 4.09Å; W109-V113 HydrophobicContact CH2-CG2 4.4Å; W109-V113 HydrophobicContact CZ2-CG2 3.91Å; W109-V113 WeakPolarHBondContact O-CG2 3.31Å; W109-V113 PolarHBondContact O-N 3.35Å; A110-V113 PolarHBondContact O-N 2.94Å; V113-M115 VanDerWaalsContact C-N 3.29Å; V113-M115 PolarHBondContact O-N 3.03Å; V113-G116 PolarHBondContact O-N 3.28Å; V113-G116 VanDerWaalsContact O-N 3.14Å; V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.36Å; V113-F117 WeakPolarHBondContact O-CD2 3.17Å; V113-F117 PolarHBondContact O-N 3.42Å
114I85.3Confident80.6Confident98 Ų9861.5 Ų61.550%0.50331%0.309SS..Hα-helixtrans-61.2-39.3177-68.2163.8000110.7A110 G116 F117 R118A110-I114 VanDerWaalsContact O-CB 3.3Å; A110-I114 WeakPolarHBondContact O-CB 3.49Å; A110-I114 WeakPolarHBondContact O-CD1 3.42Å; A110-I114 WeakPolarHBondContact O-CG1 3.49Å; A110-I114 PolarHBondContact O-N 3.32Å; I114-G116 VanDerWaalsContact C-N 3.35Å; I114-F117 PolarHBondContact O-N 3.12Å; I114-R118 HydrophobicContact CG2-CG 4.42Å; I114-R118 WeakPolarHBondContact O-CB 3.43Å; I114-R118 VanDerWaalsContact O-CG 3.3Å; I114-R118 WeakPolarHBondContact O-CG 3.31Å; I114-R118 PolarHBondContact O-N 2.89Å
115M82.5Confident79.6Confident47 Ų4764.7 Ų64.723%0.23233%0.326CS..Hα-helixtrans-65.4-37.7176.2-172.8170.2-179.800112.2W68 G111 A112 V113 R118 S119 T226W68-M115 HydrophobicContact CZ2-SD 3.96Å; W68-M115 PolarHBondContact NE1-SD 2.67Å; G111-M115 VanDerWaalsContact O-CB 3.31Å; G111-M115 WeakPolarHBondContact O-CB 3.48Å; G111-M115 PolarHBondContact O-N 2.89Å; A112-M115 PolarHBondContact O-N 3.32Å; V113-M115 VanDerWaalsContact C-N 3.29Å; V113-M115 PolarHBondContact O-N 3.03Å; M115-R118 PolarHBondContact O-N 3.44Å; M115-S119 WeakPolarHBondContact O-CB 3.33Å; M115-S119 PolarHBondContact O-N 2.96Å; M115-S119 PolarHBondContact O-OG 3.11Å; M115-S119 VanDerWaalsContact O-OG 3.06Å; M115-T226 HydrophobicContact CE-CG2 4.41Å
116G78.8Confident78.5Confident1 Ų167.3 Ų67.31%0.0135%0.347CS..Hα-helixtrans-62.7-50.1173.500000112.8A112 V113 I114 R118 S119 K120 N225A112-G116 PolarHBondContact O-N 3.16Å; V113-G116 PolarHBondContact O-N 3.28Å; V113-G116 VanDerWaalsContact O-N 3.14Å; I114-G116 VanDerWaalsContact C-N 3.35Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.45Å; G116-S119 PolarHBondContact O-N 3.27Å; G116-S119 PolarHBondContact O-OG 2.84Å; G116-K120 CarbonylContact O-C 3.6Å; G116-K120 PolarHBondContact O-N 2.87Å; G116-N225 WeakPolarHBondContact CA-O 3.42Å
117F79.8Confident77.4Confident79 Ų7968.8 Ų68.835%0.34635%0.352SS..Hα-helixtrans-59.4-40.4175-77.2-64.4000112.2V113 I114 I121 A124 L125 F128V113-F117 HydrophobicContact CG1-CD2 3.63Å; V113-F117 HydrophobicContact CG1-CE2 3.36Å; V113-F117 WeakPolarHBondContact O-CD2 3.17Å; V113-F117 PolarHBondContact O-N 3.42Å; I114-F117 PolarHBondContact O-N 3.12Å; F117-I121 WeakPolarHBondContact O-CG1 3.36Å; F117-A124 HydrophobicContact CD1-CB 4.2Å; F117-A124 HydrophobicContact CE1-CB 4.3Å; F117-L125 HydrophobicContact CD1-CD1 4.17Å; F117-L125 HydrophobicContact CE1-CD1 3.81Å; F117-F128 HydrophobicContact CZ-CE2 4.41Å
118R78.9Confident76.2Confident213 Ų21366.8 Ų66.880%0.80434%0.336SS*.Hα-helixtrans-70.1-35.4179.2-74.2179.669.3-172.92.2113.6I114 M115 G116I114-R118 HydrophobicContact CG2-CG 4.42Å; I114-R118 WeakPolarHBondContact O-CB 3.43Å; I114-R118 VanDerWaalsContact O-CG 3.3Å; I114-R118 WeakPolarHBondContact O-CG 3.31Å; I114-R118 PolarHBondContact O-N 2.89Å; M115-R118 PolarHBondContact O-N 3.44Å; G116-R118 VanDerWaalsContact C-N 3.31Å; G116-R118 PolarHBondContact O-N 3.45Å
119S71.1Confident75.1Confident47 Ų4769.1 Ų69.133%0.32935%0.348SS..Hα-helixtrans-88.5-39.4-172.570.30000113.5M115 G116M115-S119 WeakPolarHBondContact O-CB 3.33Å; M115-S119 PolarHBondContact O-N 2.96Å; M115-S119 PolarHBondContact O-OG 3.11Å; M115-S119 VanDerWaalsContact O-OG 3.06Å; G116-S119 PolarHBondContact O-N 3.27Å; G116-S119 PolarHBondContact O-OG 2.84Å
120K72.5Confident73.9Confident94 Ų9470.6 Ų70.641%0.40936%0.362SS..  trans-146.472.3-176.8-67.3175.9-178.7159.10111.4G116 K122 N123 A124 T226G116-K120 CarbonylContact O-C 3.6Å; G116-K120 PolarHBondContact O-N 2.87Å; K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 3.39Å; K120-N123 HydrophobicContact CB-CB 3.91Å; K120-N123 HydrophobicContact CD-CB 4.27Å; K120-N123 PolarHBondContact O-N 3.41Å; K120-N123 VanDerWaalsContact O-N 3.1Å; K120-A124 WeakPolarHBondContact O-CB 3.32Å; K120-A124 PolarHBondContact O-N 3.44Å; K120-T226 WeakPolarHBondContact CE-O 3.4Å; K120-T226 PolarHBondContact NZ-O 3.49Å; K120-T226 PolarHBondContact NZ-OXT 3.18Å
121I68.3Low72.8Confident110 Ų11079 Ų7956%0.56440%0.397SS*.Hα-helixtrans-47.8-48.9177.5-60.3170.3000111.7F117 N123 A124 L125F117-I121 WeakPolarHBondContact O-CG1 3.36Å; I121-N123 PolarHBondContact O-N 3.28Å; I121-A124 PolarHBondContact O-N 3.18Å; I121-L125 HydrophobicContact CG2-CD1 3.8Å; I121-L125 WeakPolarHBondContact O-CD1 3.45Å; I121-L125 PolarHBondContact O-N 3.21Å
122K67.4Low71.8Confident189 Ų18981.8 Ų81.882%0.82243%0.426SS*.Hα-helixtrans-65.6-37.8-176.5-64.8-175-179.4-1770113.3K120 A126K120-K122 VanDerWaalsContact C-N 3.27Å; K120-K122 PolarHBondContact O-N 3.39Å; K122-A126 VanDerWaalsContact O-CB 3.26Å; K122-A126 WeakPolarHBondContact O-CB 3.38Å; K122-A126 PolarHBondContact O-N 3.06Å
123N69.8Low71.2Confident88 Ų8883.5 Ų83.547%0.47144%0.436SS..Hα-helixtrans-78.1-36.2-178.5-151.960.1000111.3K120 I121 A126 H127K120-N123 HydrophobicContact CB-CB 3.91Å; K120-N123 HydrophobicContact CD-CB 4.27Å; K120-N123 PolarHBondContact O-N 3.41Å; K120-N123 VanDerWaalsContact O-N 3.1Å; I121-N123 PolarHBondContact O-N 3.28Å; N123-A126 PolarHBondContact O-N 3.33Å; N123-H127 PolarHBondContact O-N 3.23Å; N123-H127 VanDerWaalsContact O-N 3.1Å
124A66Low70.8Confident17 Ų1786.4 Ų86.414%0.1446%0.456CS..Hα-helixtrans-63.5-42.8173.700000111.6F117 K120 I121 H127F117-A124 HydrophobicContact CD1-CB 4.2Å; F117-A124 HydrophobicContact CE1-CB 4.3Å; K120-A124 WeakPolarHBondContact O-CB 3.32Å; K120-A124 PolarHBondContact O-N 3.44Å; I121-A124 PolarHBondContact O-N 3.18Å; A124-H127 PolarHBondContact O-N 3.48Å
125L66Low70.4Confident90 Ų9087.6 Ų87.647%0.47147%0.467SS..Hα-helixtrans-70.9-32.6174.7-87.482.3000112.8F117 I121 H127 F128F117-L125 HydrophobicContact CD1-CD1 4.17Å; F117-L125 HydrophobicContact CE1-CD1 3.81Å; I121-L125 HydrophobicContact CG2-CD1 3.8Å; I121-L125 WeakPolarHBondContact O-CD1 3.45Å; I121-L125 PolarHBondContact O-N 3.21Å; L125-H127 VanDerWaalsContact C-N 3.25Å; L125-H127 PolarHBondContact O-N 3.39Å; L125-F128 PolarHBondContact O-N 3.48Å
126A63.3Low70.4Confident55 Ų5590.3 Ų90.346%0.45549%0.489SS..Hα-helixtrans-66.5-27.9176.100000112.4K122 N123 F128 L129K122-A126 VanDerWaalsContact O-CB 3.26Å; K122-A126 WeakPolarHBondContact O-CB 3.38Å; K122-A126 PolarHBondContact O-N 3.06Å; N123-A126 PolarHBondContact O-N 3.33Å; A126-F128 PolarHBondContact O-N 2.68Å; A126-L129 PolarHBondContact O-N 2.86Å
127H66.6Low70.5Confident112 Ų11295.4 Ų95.452%0.51952%0.515SS..THydrogen-bonded Turntrans-64.2-20176.3-122.6-67.9000113.7N123 A124 L125 L129N123-H127 PolarHBondContact O-N 3.23Å; N123-H127 VanDerWaalsContact O-N 3.1Å; A124-H127 PolarHBondContact O-N 3.48Å; L125-H127 VanDerWaalsContact C-N 3.25Å; L125-H127 PolarHBondContact O-N 3.39Å; H127-L129 PolarHBondContact O-N 2.9Å
128F65.5Low70.5Confident38 Ų3893.9 Ų93.917%0.16751%0.51CS..THydrogen-bonded Turntrans-73.1-14173.8-67.5-55.6000113.7F117 L125 A126 L141 E145 T146 L149F117-F128 HydrophobicContact CZ-CE2 4.41Å; L125-F128 PolarHBondContact O-N 3.48Å; A126-F128 PolarHBondContact O-N 2.68Å; F128-L141 WeakPolarHBondContact O-CD2 3.44Å; F128-E145 HydrophobicContact CD1-CB 4.25Å; F128-E145 HydrophobicContact CD1-CG 3.87Å; F128-T146 HydrophobicContact CD1-CG2 4.31Å; F128-T146 HydrophobicContact CE1-CG2 4.11Å; F128-L149 HydrophobicContact CE1-CD1 4.38Å
129L66.2Low70.6Confident69 Ų6987.9 Ų87.936%0.36150%0.499SS..SBendtrans-123.6114.2176.7-88.383.1000110.7A126 H127 I138 V142A126-L129 PolarHBondContact O-N 2.86Å; H127-L129 PolarHBondContact O-N 2.9Å; L129-I138 HydrophobicContact CD1-CG2 4.37Å; L129-I138 HydrophobicContact CD2-CD1 4.22Å; L129-I138 HydrophobicContact CD2-CG1 4.3Å; L129-I138 HydrophobicContact CD2-CG2 3.69Å; L129-I138 HydrophobicContact CG-CG2 4.19Å; L129-V142 HydrophobicContact CD1-CG2 3.48Å; L129-V142 VanDerWaalsContact CD1-CG2 3.48Å; L129-V142 HydrophobicContact CG-CG2 4.35Å
130P62.2Low71.2Confident70 Ų7091.2 Ų91.246%0.45551%0.51SS..  trans-63.5139.8166.618.3-18.5000109.9G132 T133 L141P130-G132 PolarHBondContact O-N 3.46Å; P130-T133 HydrophobicContact CB-CG2 4.39Å; P130-T133 HydrophobicContact CG-CG2 3.67Å; P130-T133 WeakPolarHBondContact O-CG2 3.33Å; P130-L141 HydrophobicContact CG-CD1 3.75Å; P130-L141 HydrophobicContact CG-CD2 3.98Å
131Q63.9Low71.8Confident203 Ų20389 Ų8995%0.94950%0.503SS*.THydrogen-bonded Turntrans-65.2130-179.4-63.7-166.9-3.200110.4
132G64.1Low72.5Confident82 Ų8285.8 Ų85.885%0.84549%0.488SS*.THydrogen-bonded Turntrans97.41217600000116P130P130-G132 PolarHBondContact O-N 3.46Å
133T73.1Confident73.3Confident36 Ų3681.1 Ų81.122%0.22147%0.472CS..  trans-72.8134.6175.954.40000112.3P130 L141P130-T133 HydrophobicContact CB-CG2 4.39Å; P130-T133 HydrophobicContact CG-CG2 3.67Å; P130-T133 WeakPolarHBondContact O-CG2 3.33Å; T133-L141 HydrophobicContact CG2-CD1 3.82Å
134P75Confident74.1Confident77 Ų7781.4 Ų81.450%0.547%0.472SS..  trans-65.3140.6176.529.1-35.2000110.8P136 L137P134-P136 VanDerWaalsContact C-N 3.33Å; P134-P136 VanDerWaalsContact O-CD 3.28Å; P134-P136 WeakPolarHBondContact O-CD 3.44Å; P134-P136 VanDerWaalsContact O-N 3.11Å; P134-L137 HydrophobicContact CG-CB 4.42Å; P134-L137 HydrophobicContact CG-CD1 3.75Å; P134-L137 HydrophobicContact CG-CG 4.2Å; P134-L137 PolarHBondContact O-N 3.26Å; P134-L137 VanDerWaalsContact O-N 3.08Å
135T76.9Confident75Confident122 Ų12284 Ų8475%0.74848%0.481SS*.THydrogen-bonded Turntrans-51.5-30.7-172.350.30000117.2I138T135-I138 HydrophobicContact CG2-CD1 4.47Å
136P83.2Confident75.8Confident104 Ų10482.2 Ų82.268%0.67547%0.474SS*.THydrogen-bonded Turntrans-76.7-24.6179.10.812.9000113.8P134P134-P136 VanDerWaalsContact C-N 3.33Å; P134-P136 VanDerWaalsContact O-CD 3.28Å; P134-P136 WeakPolarHBondContact O-CD 3.44Å; P134-P136 VanDerWaalsContact O-N 3.11Å
137L81.4Confident76.9Confident108 Ų10883.6 Ų83.657%0.56547%0.473SS*.THydrogen-bonded Turntrans-88.1-10.7-175.5-65.5178.3000113.2P134 M140 L141P134-L137 HydrophobicContact CG-CB 4.42Å; P134-L137 HydrophobicContact CG-CD1 3.75Å; P134-L137 HydrophobicContact CG-CG 4.2Å; P134-L137 PolarHBondContact O-N 3.26Å; P134-L137 VanDerWaalsContact O-N 3.08Å; L137-M140 PolarHBondContact O-N 3.24Å; L137-L141 PolarHBondContact O-N 3.3Å; L137-L141 VanDerWaalsContact O-N 3.12Å
138I79.9Confident77.8Confident48 Ų4880.7 Ų80.725%0.24647%0.465CS..Hα-helixtrans-55.7-48.8-176-64.3176000112.5L129 T135 M140 L141 V142L129-I138 HydrophobicContact CD1-CG2 4.37Å; L129-I138 HydrophobicContact CD2-CD1 4.22Å; L129-I138 HydrophobicContact CD2-CG1 4.3Å; L129-I138 HydrophobicContact CD2-CG2 3.69Å; L129-I138 HydrophobicContact CG-CG2 4.19Å; T135-I138 HydrophobicContact CG2-CD1 4.47Å; I138-M140 VanDerWaalsContact C-N 3.31Å; I138-M140 PolarHBondContact O-N 3.42Å; I138-L141 PolarHBondContact O-N 3.48Å; I138-V142 HydrophobicContact CG2-CG2 4.36Å; I138-V142 WeakPolarHBondContact O-CG2 3.42Å; I138-V142 PolarHBondContact O-N 3.29Å; I138-V142 VanDerWaalsContact O-N 3.11Å
139P80.4Confident78.6Confident86 Ų8680.9 Ų80.956%0.55847%0.468SS*.Hα-helixtrans-63.4-37.1-175.7-2234.3000112.9I143P139-I143 WeakPolarHBondContact O-CG1 3.28Å; P139-I143 PolarHBondContact O-N 3.41Å
140M83.9Confident79.4Confident117 Ų11782.8 Ų82.858%0.57648%0.478SS*.Hα-helixtrans-70.1-41.3178.8-173.463.7-172.500111.6L137 I138 I143 I144L137-M140 PolarHBondContact O-N 3.24Å; I138-M140 VanDerWaalsContact C-N 3.31Å; I138-M140 PolarHBondContact O-N 3.42Å; M140-I143 PolarHBondContact O-N 3.25Å; M140-I144 HydrophobicContact CE-CD1 4Å; M140-I144 HydrophobicContact CE-CG1 4.2Å; M140-I144 HydrophobicContact CG-CD1 4.14Å; M140-I144 WeakPolarHBondContact O-CG1 2.99Å; M140-I144 PolarHBondContact O-N 3.37Å; M140-I144 VanDerWaalsContact O-N 3.13Å
141L85.2Confident80.6Confident47 Ų4784.1 Ų84.125%0.24648%0.48CS..Hα-helixtrans-65.5-41.8-178.7-167.3152.1000111.8F128 P130 T133 L137 I138 I143 I144 E145F128-L141 WeakPolarHBondContact O-CD2 3.44Å; P130-L141 HydrophobicContact CG-CD1 3.75Å; P130-L141 HydrophobicContact CG-CD2 3.98Å; T133-L141 HydrophobicContact CG2-CD1 3.82Å; L137-L141 PolarHBondContact O-N 3.3Å; L137-L141 VanDerWaalsContact O-N 3.12Å; I138-L141 PolarHBondContact O-N 3.48Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 3.34Å; L141-I144 PolarHBondContact O-N 3.4Å; L141-E145 PolarHBondContact O-N 3.21Å
142V82.4Confident81.5Confident44 Ų4477.7 Ų77.727%0.26745%0.45SS..Hα-helixtrans-58.5-43.6176.5173.60000110.9L129 I138 I144 E145 T146L129-V142 HydrophobicContact CD1-CG2 3.48Å; L129-V142 VanDerWaalsContact CD1-CG2 3.48Å; L129-V142 HydrophobicContact CG-CG2 4.35Å; I138-V142 HydrophobicContact CG2-CG2 4.36Å; I138-V142 WeakPolarHBondContact O-CG2 3.42Å; I138-V142 PolarHBondContact O-N 3.29Å; I138-V142 VanDerWaalsContact O-N 3.11Å; V142-I144 PolarHBondContact O-N 2.85Å; V142-E145 PolarHBondContact O-N 3.35Å; V142-T146 HydrophobicContact CG1-CG2 4.31Å; V142-T146 WeakPolarHBondContact O-CG2 3.48Å; V142-T146 PolarHBondContact O-N 3.5Å; V142-T146 PolarHBondContact O-OG1 3.01Å
143I85.4Confident82.3Confident91 Ų9174.2 Ų74.247%0.46741%0.413SS..Hα-helixtrans-60.4-48177.3-66.4166.7000110.4P139 M140 L141 E145 T146 I147P139-I143 WeakPolarHBondContact O-CG1 3.28Å; P139-I143 PolarHBondContact O-N 3.41Å; M140-I143 PolarHBondContact O-N 3.25Å; L141-I143 VanDerWaalsContact C-N 3.29Å; L141-I143 PolarHBondContact O-N 3.34Å; I143-E145 VanDerWaalsContact C-N 3.34Å; I143-E145 PolarHBondContact O-N 3.18Å; I143-T146 PolarHBondContact O-N 3.38Å; I143-T146 PolarHBondContact O-OG1 3.49Å; I143-I147 HydrophobicContact CG2-CD1 3.79Å; I143-I147 VanDerWaalsContact O-CG1 3.32Å; I143-I147 WeakPolarHBondContact O-CG1 3.32Å; I143-I147 PolarHBondContact O-N 3Å
144I86.4Confident82.9Confident94 Ų9476.8 Ų76.848%0.48242%0.423SS..Hα-helixtrans-61.4-43.6179.7-64.2166.3000111.1M140 L141 V142 I147 S148M140-I144 HydrophobicContact CE-CD1 4Å; M140-I144 HydrophobicContact CE-CG1 4.2Å; M140-I144 HydrophobicContact CG-CD1 4.14Å; M140-I144 WeakPolarHBondContact O-CG1 2.99Å; M140-I144 PolarHBondContact O-N 3.37Å; M140-I144 VanDerWaalsContact O-N 3.13Å; L141-I144 PolarHBondContact O-N 3.4Å; V142-I144 PolarHBondContact O-N 2.85Å; I144-I147 PolarHBondContact O-N 2.78Å; I144-S148 WeakPolarHBondContact O-CB 3.33Å; I144-S148 PolarHBondContact O-N 3.5Å
145E84.6Confident83.4Confident72 Ų7275.1 Ų75.134%0.33642%0.416SS..Hα-helixtrans-66.7-39.8-179.6-165.459.5-150.500111.7F128 L141 V142 I143 I147 S148 L149F128-E145 HydrophobicContact CD1-CB 4.25Å; F128-E145 HydrophobicContact CD1-CG 3.87Å; L141-E145 PolarHBondContact O-N 3.21Å; V142-E145 PolarHBondContact O-N 3.35Å; I143-E145 VanDerWaalsContact C-N 3.34Å; I143-E145 PolarHBondContact O-N 3.18Å; E145-I147 VanDerWaalsContact C-N 3.31Å; E145-I147 PolarHBondContact O-N 3.01Å; E145-S148 WeakPolarHBondContact O-CB 3.37Å; E145-S148 PolarHBondContact O-N 3.31Å; E145-L149 WeakPolarHBondContact O-CB 3.02Å; E145-L149 PolarHBondContact O-N 2.96Å
146T82.1Confident83.6Confident52 Ų5269.6 Ų69.632%0.31938%0.382SS..Hα-helixtrans-62.1-38.2173.963.30000112.5F128 V142 I143 L150F128-T146 HydrophobicContact CD1-CG2 4.31Å; F128-T146 HydrophobicContact CE1-CG2 4.11Å; V142-T146 HydrophobicContact CG1-CG2 4.31Å; V142-T146 WeakPolarHBondContact O-CG2 3.48Å; V142-T146 PolarHBondContact O-N 3.5Å; V142-T146 PolarHBondContact O-OG1 3.01Å; I143-T146 PolarHBondContact O-N 3.38Å; I143-T146 PolarHBondContact O-OG1 3.49Å; T146-L150 WeakPolarHBondContact O-CG 3.21Å; T146-L150 PolarHBondContact O-N 2.93Å
147I86.1Confident83.6Confident83 Ų8364.7 Ų64.743%0.42635%0.35SS..Hα-helixtrans-68.9-43.3175.8-67.5166.8000110.5I143 I144 E145 L149 L150 I151I143-I147 HydrophobicContact CG2-CD1 3.79Å; I143-I147 VanDerWaalsContact O-CG1 3.32Å; I143-I147 WeakPolarHBondContact O-CG1 3.32Å; I143-I147 PolarHBondContact O-N 3Å; I144-I147 PolarHBondContact O-N 2.78Å; E145-I147 VanDerWaalsContact C-N 3.31Å; E145-I147 PolarHBondContact O-N 3.01Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 2.93Å; I147-L150 PolarHBondContact O-N 2.95Å; I147-L150 VanDerWaalsContact O-N 3.16Å; I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.13Å; I147-I151 WeakPolarHBondContact O-CG1 3.37Å; I147-I151 PolarHBondContact O-N 3.25Å
148S84.9Confident83.9Confident52 Ų5262.5 Ų62.536%0.36434%0.341SS..Hα-helixtrans-56.8-46.8177.3-177.60000111.7I144 E145 L150 I151 Q152I144-S148 WeakPolarHBondContact O-CB 3.33Å; I144-S148 PolarHBondContact O-N 3.5Å; E145-S148 WeakPolarHBondContact O-CB 3.37Å; E145-S148 PolarHBondContact O-N 3.31Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.41Å; S148-I151 PolarHBondContact O-N 3.37Å; S148-Q152 PolarHBondContact O-N 2.96Å; S148-Q152 VanDerWaalsContact O-N 3.16Å
149L83.6Confident84.3Confident42 Ų4265.1 Ų65.122%0.2235%0.348CS..Hα-helixtrans-60.3-36.7177.8-174.3124.2000112.1W109 F128 E145 I147 P153W109-L149 HydrophobicContact CH2-CD2 4.05Å; W109-L149 HydrophobicContact CZ2-CD2 3.42Å; W109-L149 VanDerWaalsContact CZ2-CD2 3.42Å; W109-L149 HydrophobicContact CZ2-CG 3.85Å; W109-L149 WeakPolarHBondContact CZ2-O 3.32Å; W109-L149 PolarHBondContact NE1-O 3.28Å; F128-L149 HydrophobicContact CE1-CD1 4.38Å; E145-L149 WeakPolarHBondContact O-CB 3.02Å; E145-L149 PolarHBondContact O-N 2.96Å; I147-L149 VanDerWaalsContact C-N 3.33Å; I147-L149 PolarHBondContact O-N 2.93Å; L149-P153 WeakPolarHBondContact O-CD 3.4Å
150L83.6Confident84.4Confident108 Ų10861 Ų6157%0.56532%0.321SS*.Hα-helixtrans-77.8-35.2177.5-71.9172.4000113.9W109 T146 I147 S148 Q152 P153W109-L150 HydrophobicContact CH2-CD2 3.79Å; W109-L150 HydrophobicContact CZ2-CD2 4.36Å; T146-L150 WeakPolarHBondContact O-CG 3.21Å; T146-L150 PolarHBondContact O-N 2.93Å; I147-L150 PolarHBondContact O-N 2.95Å; I147-L150 VanDerWaalsContact O-N 3.16Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.41Å; L150-Q152 VanDerWaalsContact C-N 3.33Å; L150-P153 WeakPolarHBondContact O-CD 3.31Å; L150-P153 WeakPolarHBondContact O-CG 3.13Å
151I86Confident84.5Confident98 Ų9856.1 Ų56.150%0.50330%0.298SS..Hα-helixtrans-72.4-29.9-179.3-69.7173.6000111.3I147 S148 M154 A155I147-I151 HydrophobicContact CG2-CD1 3.48Å; I147-I151 VanDerWaalsContact CG2-CD1 3.48Å; I147-I151 HydrophobicContact CG2-CG1 4.13Å; I147-I151 WeakPolarHBondContact O-CG1 3.37Å; I147-I151 PolarHBondContact O-N 3.25Å; S148-I151 PolarHBondContact O-N 3.37Å; I151-M154 WeakPolarHBondContact O-CB 3.44Å; I151-M154 PolarHBondContact O-N 2.87Å; I151-M154 VanDerWaalsContact O-N 3.13Å; I151-A155 HydrophobicContact CG2-CB 4.46Å; I151-A155 WeakPolarHBondContact O-CB 3.27Å; I151-A155 PolarHBondContact O-N 2.92Å
152Q83.9Confident84.5Confident69 Ų6955.9 Ų55.932%0.32230%0.303SS..Hα-helixtrans-51.5-53.5-177.3-112.8177.4-800116.2S148 L150 M154 A155 L156 Y221S148-Q152 PolarHBondContact O-N 2.96Å; S148-Q152 VanDerWaalsContact O-N 3.16Å; L150-Q152 VanDerWaalsContact C-N 3.33Å; Q152-M154 VanDerWaalsContact C-N 3.27Å; Q152-M154 PolarHBondContact O-N 3.44Å; Q152-A155 PolarHBondContact O-N 3.11Å; Q152-L156 PolarHBondContact O-N 3.42Å; Q152-Y221 HydrophobicContact CG-CE1 4.3Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.35Å; Q152-Y221 PolarHBondContact NE2-OH 3.16Å; Q152-Y221 PolarHBondContact OE1-OH 3.05Å
153P80.4Confident84.8Confident9 Ų956.7 Ų56.76%0.05831%0.306CS..Hα-helixtrans-64.3-33.7178.324.3-34.7000112.1W109 L149 L150 A157W109-P153 HydrophobicContact CB-CB 3.89Å; W109-P153 HydrophobicContact CB-CG 4.37Å; W109-P153 HydrophobicContact CD2-CB 4.28Å; W109-P153 HydrophobicContact CD2-CG 3.77Å; W109-P153 HydrophobicContact CE3-CG 4.25Å; W109-P153 HydrophobicContact CG-CB 3.84Å; W109-P153 HydrophobicContact CG-CG 3.81Å; L149-P153 WeakPolarHBondContact O-CD 3.4Å; L150-P153 WeakPolarHBondContact O-CD 3.31Å; L150-P153 WeakPolarHBondContact O-CG 3.13Å; P153-A157 PolarHBondContact O-N 3.48Å
154M84.6Confident84.8Confident90 Ų9052.6 Ų52.644%0.44329%0.285SS..Hα-helixtrans-65.2-47.1174.7-161.895.9-172.500110.8L102 I151 Q152 L156 A157 V158L102-M154 HydrophobicContact CD1-SD 3.91Å; I151-M154 WeakPolarHBondContact O-CB 3.44Å; I151-M154 PolarHBondContact O-N 2.87Å; I151-M154 VanDerWaalsContact O-N 3.13Å; Q152-M154 VanDerWaalsContact C-N 3.27Å; Q152-M154 PolarHBondContact O-N 3.44Å; M154-L156 VanDerWaalsContact C-N 3.3Å; M154-L156 PolarHBondContact O-N 2.93Å; M154-A157 PolarHBondContact O-N 2.98Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.46Å; M154-V158 PolarHBondContact O-N 3.47Å
155A85.7Confident84.9Confident42 Ų4249.9 Ų49.935%0.34727%0.272SS..Hα-helixtrans-62.6-37.6179.800000112.1I151 Q152 R159I151-A155 HydrophobicContact CG2-CB 4.46Å; I151-A155 WeakPolarHBondContact O-CB 3.27Å; I151-A155 PolarHBondContact O-N 2.92Å; Q152-A155 PolarHBondContact O-N 3.11Å; A155-R159 WeakPolarHBondContact O-CB 3.25Å; A155-R159 PolarHBondContact O-N 3.35Å
156L80.9Confident85Confident6 Ų649.1 Ų49.13%0.03128%0.278CS..Hα-helixtrans-61.4-48.7174.6-168.390.1000111.8A105 Q152 M154 R159 L160 F214 L217 V218A105-L156 HydrophobicContact CB-CD2 4.18Å; Q152-L156 PolarHBondContact O-N 3.42Å; M154-L156 VanDerWaalsContact C-N 3.3Å; M154-L156 PolarHBondContact O-N 2.93Å; L156-R159 PolarHBondContact O-N 2.99Å; L156-L160 PolarHBondContact O-N 2.96Å; L156-F214 HydrophobicContact CD1-CD2 4.18Å; L156-F214 HydrophobicContact CD1-CG 4.43Å; L156-F214 HydrophobicContact CD2-CD1 4.13Å; L156-F214 HydrophobicContact CD2-CD2 3.36Å; L156-F214 HydrophobicContact CD2-CE1 3.93Å; L156-F214 HydrophobicContact CD2-CE2 3.13Å; L156-F214 HydrophobicContact CD2-CG 3.87Å; L156-F214 HydrophobicContact CD2-CZ 3.44Å; L156-F214 VanDerWaalsContact CD2-CZ 3.44Å; L156-F214 HydrophobicContact CG-CD2 3.46Å; L156-F214 VanDerWaalsContact CG-CD2 3.46Å; L156-F214 HydrophobicContact CG-CE2 3.63Å; L156-F214 HydrophobicContact CG-CG 4.13Å; L156-F214 HydrophobicContact CG-CZ 4.4Å; L156-L217 HydrophobicContact CD1-CB 3.83Å; L156-L217 HydrophobicContact CD1-CD1 3.43Å; L156-L217 VanDerWaalsContact CD1-CD1 3.43Å; L156-L217 HydrophobicContact CD1-CG 4.26Å; L156-V218 HydrophobicContact CD2-CG2 4.29Å
157A84.3Confident85.3Confident0 Ų046.9 Ų46.90%027%0.266CS..Hα-helixtrans-64.3-44.9179.900000111.9L98 N101 L102 A105 P153 M154 R159 L160 T161L98-A157 HydrophobicContact CD1-CB 4.3Å; N101-A157 HydrophobicContact CB-CB 3.9Å; N101-A157 PolarHBondContact ND2-O 3.41Å; L102-A157 HydrophobicContact CB-CB 4.42Å; L102-A157 HydrophobicContact CD1-CB 4.16Å; A105-A157 HydrophobicContact CB-CB 4.23Å; P153-A157 PolarHBondContact O-N 3.48Å; M154-A157 PolarHBondContact O-N 2.98Å; A157-R159 VanDerWaalsContact C-N 3.33Å; A157-R159 PolarHBondContact O-N 3.15Å; A157-L160 PolarHBondContact O-N 2.89Å; A157-T161 PolarHBondContact O-N 3.16Å; A157-T161 VanDerWaalsContact O-N 3.12Å; A157-T161 PolarHBondContact O-OG1 3.18Å
158V87.5Confident85.4Confident63 Ų6344.4 Ų44.438%0.38225%0.252SS..Hα-helixtrans-63.4-38.6177.5172.70000111.4L98 M154 L160 T161 A162L98-V158 HydrophobicContact CD1-CG2 3.88Å; M154-V158 VanDerWaalsContact O-CG2 3.3Å; M154-V158 WeakPolarHBondContact O-CG2 3.46Å; M154-V158 PolarHBondContact O-N 3.47Å; V158-L160 VanDerWaalsContact C-N 3.34Å; V158-L160 PolarHBondContact O-N 2.86Å; V158-T161 WeakPolarHBondContact CA-OG1 3.37Å; V158-T161 PolarHBondContact O-N 3.36Å; V158-T161 PolarHBondContact O-OG1 3.31Å; V158-A162 WeakPolarHBondContact O-CB 3.17Å; V158-A162 PolarHBondContact O-N 3.05Å
159R87.9Confident85.6Confident102 Ų10243.9 Ų43.939%0.38525%0.245SC..Hα-helixtrans-61.4-43.2177.9-168-173.6-61.4154.42.4111.8A155 L156 A157 N163 Q210 L217A155-R159 WeakPolarHBondContact O-CB 3.25Å; A155-R159 PolarHBondContact O-N 3.35Å; L156-R159 PolarHBondContact O-N 2.99Å; A157-R159 VanDerWaalsContact C-N 3.33Å; A157-R159 PolarHBondContact O-N 3.15Å; R159-N163 WeakPolarHBondContact O-CB 3.1Å; R159-N163 VanDerWaalsContact O-CG 3.28Å; R159-N163 PolarHBondContact O-N 3.45Å; R159-N163 PolarHBondContact O-ND2 3.3Å; R159-Q210 VanDerWaalsContact C-NE2 3.27Å; R159-Q210 VanDerWaalsContact CG-NE2 3.34Å; R159-L217 VanDerWaalsContact NH1-CD1 3.34Å
160L82.4Confident86Confident0 Ų045.7 Ų45.70%026%0.255CS..Hα-helixtrans-67.1-44.1179.4178.466.2000110.9I79 N101 L156 A157 V158 I164 Q210 F214I79-L160 HydrophobicContact CG2-CD1 4.1Å; I79-L160 HydrophobicContact CG2-CD2 4.14Å; N101-L160 HydrophobicContact CB-CD2 4.34Å; N101-L160 VanDerWaalsContact CG-CD2 3.45Å; N101-L160 WeakPolarHBondContact ND2-CB 3.12Å; N101-L160 WeakPolarHBondContact ND2-CD2 3.24Å; N101-L160 VanDerWaalsContact ND2-CG 3.33Å; N101-L160 WeakPolarHBondContact ND2-CG 3.42Å; N101-L160 VanDerWaalsContact OD1-CD2 3.31Å; N101-L160 WeakPolarHBondContact OD1-CD2 3.12Å; L156-L160 PolarHBondContact O-N 2.96Å; A157-L160 PolarHBondContact O-N 2.89Å; V158-L160 VanDerWaalsContact C-N 3.34Å; V158-L160 PolarHBondContact O-N 2.86Å; L160-I164 HydrophobicContact CD1-CD1 3.61Å; L160-I164 HydrophobicContact CG-CD1 4.2Å; L160-I164 WeakPolarHBondContact O-CG1 3.21Å; L160-I164 PolarHBondContact O-N 2.83Å; L160-Q210 VanDerWaalsContact CA-NE2 3.25Å; L160-Q210 HydrophobicContact CB-CG 4.24Å; L160-Q210 HydrophobicContact CD1-CB 4.33Å; L160-Q210 HydrophobicContact CD1-CG 3.38Å; L160-Q210 HydrophobicContact CG-CG 4.4Å; L160-F214 HydrophobicContact CD2-CD2 4.33Å
161T85.9Confident86.3Confident14 Ų1442 Ų429%0.08624%0.235CC..Hα-helixtrans-65.3-46.7177.248.30000112.2T96 L98 N101 A157 V158 N163 I164 T165T96-T161 WeakPolarHBondContact O-CG2 3.31Å; L98-T161 VanDerWaalsContact CA-CG2 3.44Å; L98-T161 HydrophobicContact CB-CG2 4.03Å; L98-T161 HydrophobicContact CD1-CG2 4.02Å; N101-T161 HydrophobicContact CB-CG2 4.29Å; N101-T161 WeakPolarHBondContact ND2-CG2 3.07Å; N101-T161 PolarHBondContact ND2-N 2.88Å; A157-T161 PolarHBondContact O-N 3.16Å; A157-T161 VanDerWaalsContact O-N 3.12Å; A157-T161 PolarHBondContact O-OG1 3.18Å; V158-T161 WeakPolarHBondContact CA-OG1 3.37Å; V158-T161 PolarHBondContact O-N 3.36Å; V158-T161 PolarHBondContact O-OG1 3.31Å; T161-N163 PolarHBondContact O-N 3.1Å; T161-I164 PolarHBondContact O-N 3.31Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.44Å; T161-T165 WeakPolarHBondContact O-CG2 3.36Å; T161-T165 PolarHBondContact O-N 3.19Å; T161-T165 PolarHBondContact O-OG1 3.01Å
162A85.3Confident86.5Confident43 Ų4340.6 Ų40.636%0.35523%0.226SC..Hα-helixtrans-63.8-43.8-172.600000111V158 T165 A166V158-A162 WeakPolarHBondContact O-CB 3.17Å; V158-A162 PolarHBondContact O-N 3.05Å; A162-T165 WeakPolarHBondContact CA-OG1 3.04Å; A162-T165 PolarHBondContact O-OG1 3.11Å; A162-A166 WeakPolarHBondContact O-CB 3.35Å; A162-A166 PolarHBondContact O-N 3.12Å
163N88.8Confident86.8Confident61 Ų6141.8 Ų41.833%0.32623%0.234SC..Hα-helixtrans-64.2-48.2-179.5-69.4-6.9000111.3R159 T161 G167 V206R159-N163 WeakPolarHBondContact O-CB 3.1Å; R159-N163 VanDerWaalsContact O-CG 3.28Å; R159-N163 PolarHBondContact O-N 3.45Å; R159-N163 PolarHBondContact O-ND2 3.3Å; T161-N163 PolarHBondContact O-N 3.1Å; N163-G167 PolarHBondContact O-N 3.3Å; N163-V206 HydrophobicContact CB-CG1 4.11Å
164I85.9Confident87.3Confident5 Ų542.9 Ų42.93%0.02624%0.239CC..Hα-helixtrans-71.4-39.4-176.5-59.9173.6000111.6N83 T93 T95 T96 L160 T161 H168N83-I164 HydrophobicContact CB-CD1 4.29Å; N83-I164 VanDerWaalsContact CG-CD1 3.4Å; N83-I164 WeakPolarHBondContact OD1-CD1 3.3Å; T93-I164 HydrophobicContact CG2-CG2 4.35Å; T95-I164 WeakPolarHBondContact OG1-CD1 3.44Å; T96-I164 HydrophobicContact CG2-CB 4.37Å; T96-I164 HydrophobicContact CG2-CG2 3.66Å; L160-I164 HydrophobicContact CD1-CD1 3.61Å; L160-I164 HydrophobicContact CG-CD1 4.2Å; L160-I164 WeakPolarHBondContact O-CG1 3.21Å; L160-I164 PolarHBondContact O-N 2.83Å; T161-I164 PolarHBondContact O-N 3.31Å; I164-H168 WeakPolarHBondContact O-CB 3.27Å; I164-H168 PolarHBondContact O-N 3.13Å; I164-H168 VanDerWaalsContact O-N 3.11Å
165T88.1Confident87.6Confident37 Ų3739.4 Ų39.423%0.22723%0.227CC..Hα-helixtrans-67.1-46.4176.852.60000111.7F9 T96 T161 A162 H168 L169F9-T165 HydrophobicContact CD1-CG2 4.37Å; F9-T165 HydrophobicContact CE1-CG2 4.09Å; T96-T165 HydrophobicContact CG2-CG2 3.73Å; T161-T165 VanDerWaalsContact O-CB 3.29Å; T161-T165 WeakPolarHBondContact O-CB 3.44Å; T161-T165 WeakPolarHBondContact O-CG2 3.36Å; T161-T165 PolarHBondContact O-N 3.19Å; T161-T165 PolarHBondContact O-OG1 3.01Å; A162-T165 WeakPolarHBondContact CA-OG1 3.04Å; A162-T165 PolarHBondContact O-OG1 3.11Å; T165-H168 PolarHBondContact O-N 2.73Å; T165-L169 WeakPolarHBondContact O-CB 3.39Å; T165-L169 WeakPolarHBondContact O-CG 3.19Å; T165-L169 PolarHBondContact O-N 3.1Å
166A87.7Confident87.7Confident55 Ų5540.8 Ų40.846%0.45523%0.228SC..Hα-helixtrans-64.4-42.6178.700000111.5A162 L169 L170A162-A166 WeakPolarHBondContact O-CB 3.35Å; A162-A166 PolarHBondContact O-N 3.12Å; A166-L169 PolarHBondContact O-N 3.26Å; A166-L170 VanDerWaalsContact O-CB 3.25Å; A166-L170 WeakPolarHBondContact O-CB 3.49Å; A166-L170 PolarHBondContact O-N 3.15Å
167G88.4Confident88.1Confident6 Ų642.3 Ų42.36%0.06224%0.242CC..Hα-helixtrans-58.7-48.4176.100000112.5N163 L170 M171 E203N163-G167 PolarHBondContact O-N 3.3Å; G167-L170 PolarHBondContact O-N 3.34Å; G167-M171 WeakPolarHBondContact O-CG 3.29Å; G167-M171 PolarHBondContact O-N 3.4Å; G167-E203 WeakPolarHBondContact CA-OE2 3.39Å
168H88.5Confident88.4Confident30 Ų3043.1 Ų43.114%0.13925%0.247CC..Hα-helixtrans-62.3-44.6175.8-105.8-89000113.3F9 G86 I164 T165 L170 M171 H172F9-H168 HydrophobicContact CE1-CB 4.07Å; F9-H168 HydrophobicContact CZ-CB 3.81Å; G86-H168 PolarHBondContact O-CE1 3.17Å; G86-H168 PolarHBondContact O-NE2 2.71Å; I164-H168 WeakPolarHBondContact O-CB 3.27Å; I164-H168 PolarHBondContact O-N 3.13Å; I164-H168 VanDerWaalsContact O-N 3.11Å; T165-H168 PolarHBondContact O-N 2.73Å; H168-L170 VanDerWaalsContact C-N 3.31Å; H168-L170 PolarHBondContact O-N 2.74Å; H168-M171 HydrophobicContact CB-CE 4.49Å; H168-M171 PolarHBondContact O-N 3.25Å; H168-H172 PolarHBondContact O-N 3.14Å
169L88.6Confident88.5Confident42 Ų4245.8 Ų45.822%0.2226%0.258CS..Hα-helixtrans-60.5-42.9175.9-78.3170.1000111.4F6 F9 T165 A166 H172 L173F6-L169 HydrophobicContact CD1-CD2 4.4Å; F6-L169 HydrophobicContact CE1-CD1 4.12Å; F6-L169 HydrophobicContact CE1-CD2 4.02Å; F6-L169 HydrophobicContact CZ-CD2 4.4Å; F9-L169 HydrophobicContact CE2-CD1 4.46Å; F9-L169 HydrophobicContact CE2-CD2 3.67Å; F9-L169 HydrophobicContact CE2-CG 3.76Å; F9-L169 HydrophobicContact CZ-CD2 4.3Å; F9-L169 HydrophobicContact CZ-CG 3.91Å; T165-L169 WeakPolarHBondContact O-CB 3.39Å; T165-L169 WeakPolarHBondContact O-CG 3.19Å; T165-L169 PolarHBondContact O-N 3.1Å; A166-L169 PolarHBondContact O-N 3.26Å; L169-H172 PolarHBondContact O-N 3.17Å; L169-L173 WeakPolarHBondContact O-CB 3.28Å; L169-L173 VanDerWaalsContact O-CG 3.3Å; L169-L173 WeakPolarHBondContact O-CG 3.36Å; L169-L173 PolarHBondContact O-N 3.03Å
170L90.7Very high88.6Confident80 Ų8043.3 Ų43.342%0.41926%0.259SS..Hα-helixtrans-68.4-40.7-178.7-157.7149.9000111.1A166 G167 H168 H172 L173 I174 L199A166-L170 VanDerWaalsContact O-CB 3.25Å; A166-L170 WeakPolarHBondContact O-CB 3.49Å; A166-L170 PolarHBondContact O-N 3.15Å; G167-L170 PolarHBondContact O-N 3.34Å; H168-L170 VanDerWaalsContact C-N 3.31Å; H168-L170 PolarHBondContact O-N 2.74Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.05Å; L170-L173 PolarHBondContact O-N 2.96Å; L170-I174 HydrophobicContact CD2-CD1 3.49Å; L170-I174 VanDerWaalsContact CD2-CD1 3.49Å; L170-I174 HydrophobicContact CD2-CG1 4.13Å; L170-I174 WeakPolarHBondContact O-CG1 3.35Å; L170-I174 PolarHBondContact O-N 3.38Å; L170-L199 HydrophobicContact CB-CD2 4.42Å; L170-L199 HydrophobicContact CD2-CD1 3.63Å; L170-L199 HydrophobicContact CD2-CD2 3.2Å; L170-L199 HydrophobicContact CD2-CG 4.03Å; L170-L199 HydrophobicContact CG-CD2 4.39Å
171M90.9Very high88.8Confident30 Ų3046.3 Ų46.315%0.14827%0.274CS..Hα-helixtrans-58.9-43.3171-74.7-172.9-67.200111.9L87 G167 H168 G175 L199 T200 E203L87-M171 HydrophobicContact CD2-CE 4.02Å; G167-M171 WeakPolarHBondContact O-CG 3.29Å; G167-M171 PolarHBondContact O-N 3.4Å; H168-M171 HydrophobicContact CB-CE 4.49Å; H168-M171 PolarHBondContact O-N 3.25Å; M171-G175 PolarHBondContact O-N 2.72Å; M171-L199 HydrophobicContact CB-CD2 4.29Å; M171-L199 HydrophobicContact CG-CD2 3.54Å; M171-L199 HydrophobicContact CG-CG 4.12Å; M171-T200 HydrophobicContact SD-CG2 3.92Å; M171-E203 HydrophobicContact CE-CG 4.16Å
172H89.4Confident88.9Confident68 Ų6848.6 Ų48.632%0.31529%0.291SS..Hα-helixtrans-68.4-40179-165.2-45.5000112.5L5 H168 L169 L170 G175 N176L5-H172 HydrophobicContact CD2-CB 4.46Å; L5-H172 VanDerWaalsContact CD2-ND1 3.28Å; L5-H172 WeakPolarHBondContact CD2-ND1 3.26Å; H168-H172 PolarHBondContact O-N 3.14Å; L169-H172 PolarHBondContact O-N 3.17Å; L170-H172 VanDerWaalsContact C-N 3.33Å; L170-H172 PolarHBondContact O-N 3.05Å; H172-G175 PolarHBondContact O-N 3.3Å; H172-N176 PolarHBondContact CE1-ND2 3.44Å; H172-N176 VanDerWaalsContact CE1-ND2 3.26Å; H172-N176 PolarHBondContact CE1-OD1 3.4Å; H172-N176 PolarHBondContact ND1-ND2 2.93Å; H172-N176 VanDerWaalsContact ND1-ND2 3.17Å; H172-N176 PolarHBondContact O-N 2.94Å
173L90.2Very high89.1Confident94 Ų9452.3 Ų52.349%0.49231%0.309SS..Hα-helixtrans-66.1-45.4178.3-73.6172.4000111.5L5 L169 L170 N176 A177L5-L173 HydrophobicContact CD1-CD2 3.97Å; L5-L173 HydrophobicContact CD2-CD2 4.33Å; L169-L173 WeakPolarHBondContact O-CB 3.28Å; L169-L173 VanDerWaalsContact O-CG 3.3Å; L169-L173 WeakPolarHBondContact O-CG 3.36Å; L169-L173 PolarHBondContact O-N 3.03Å; L170-L173 PolarHBondContact O-N 2.96Å; L173-N176 PolarHBondContact O-N 3.49Å; L173-A177 WeakPolarHBondContact O-CB 3.49Å; L173-A177 PolarHBondContact O-N 3.26Å
174I91.6Very high89Confident33 Ų3354.4 Ų54.417%0.16932%0.319CS..Hα-helixtrans-66.9-39.1176.2-64.7-174.2000110.5L170 N176 A177 T178 I192 I195 L196 L199L170-I174 HydrophobicContact CD2-CD1 3.49Å; L170-I174 VanDerWaalsContact CD2-CD1 3.49Å; L170-I174 HydrophobicContact CD2-CG1 4.13Å; L170-I174 WeakPolarHBondContact O-CG1 3.35Å; L170-I174 PolarHBondContact O-N 3.38Å; I174-N176 VanDerWaalsContact C-N 3.35Å; I174-N176 PolarHBondContact O-N 2.93Å; I174-A177 CarbonylContact O-C 3.6Å; I174-A177 WeakPolarHBondContact O-CB 3.23Å; I174-A177 PolarHBondContact O-N 3.45Å; I174-A177 VanDerWaalsContact O-N 3.13Å; I174-T178 HydrophobicContact CG2-CG2 4.41Å; I174-T178 WeakPolarHBondContact O-CG2 3.27Å; I174-T178 PolarHBondContact O-N 3.28Å; I174-T178 PolarHBondContact O-OG1 3.44Å; I174-I192 HydrophobicContact CG2-CG2 3.81Å; I174-I195 HydrophobicContact CD1-CG2 4.08Å; I174-L196 HydrophobicContact CB-CD1 4.23Å; I174-L196 HydrophobicContact CG2-CB 3.96Å; I174-L196 HydrophobicContact CG2-CD1 4.01Å; I174-L199 HydrophobicContact CD1-CD2 4.14Å
175G90.4Very high89.2Confident17 Ų1758.7 Ų58.718%0.17534%0.342CS..Hα-helixtrans-61.1-38.9174.500000113.6M171 H172 T178 L179M171-G175 PolarHBondContact O-N 2.72Å; H172-G175 PolarHBondContact O-N 3.3Å; G175-T178 PolarHBondContact O-OG1 3Å; G175-L179 WeakPolarHBondContact O-CG 3.4Å; G175-L179 PolarHBondContact O-N 3.05Å; G175-L179 VanDerWaalsContact O-N 3.13Å
176N89.2Confident89.2Confident70 Ų7063.9 Ų63.937%0.37437%0.368SS..Hα-helixtrans-68.7-37.1172.9-74.4-12.3000111.8H172 L173 I174 L179 A180H172-N176 PolarHBondContact CE1-ND2 3.44Å; H172-N176 VanDerWaalsContact CE1-ND2 3.26Å; H172-N176 PolarHBondContact CE1-OD1 3.4Å; H172-N176 PolarHBondContact ND1-ND2 2.93Å; H172-N176 VanDerWaalsContact ND1-ND2 3.17Å; H172-N176 PolarHBondContact O-N 2.94Å; L173-N176 PolarHBondContact O-N 3.49Å; I174-N176 VanDerWaalsContact C-N 3.35Å; I174-N176 PolarHBondContact O-N 2.93Å; N176-L179 PolarHBondContact O-N 2.89Å; N176-A180 WeakPolarHBondContact O-CB 3.39Å; N176-A180 PolarHBondContact O-N 3.38Å
177A88.7Confident89.2Confident39 Ų3965.6 Ų65.632%0.32237%0.374SS..Hα-helixtrans-66.5-40.7176.500000112L173 I174 A180 M181L173-A177 WeakPolarHBondContact O-CB 3.49Å; L173-A177 PolarHBondContact O-N 3.26Å; I174-A177 CarbonylContact O-C 3.6Å; I174-A177 WeakPolarHBondContact O-CB 3.23Å; I174-A177 PolarHBondContact O-N 3.45Å; I174-A177 VanDerWaalsContact O-N 3.13Å; A177-A180 PolarHBondContact O-N 2.97Å; A177-M181 WeakPolarHBondContact O-CB 3.28Å; A177-M181 WeakPolarHBondContact O-CG 3.44Å; A177-M181 PolarHBondContact O-N 2.99Å
178T90.6Very high89.2Confident17 Ų1767.1 Ų67.110%0.10438%0.384CS..Hα-helixtrans-62.6-44174.456.90000111.2I174 G175 M181 S182 I192I174-T178 HydrophobicContact CG2-CG2 4.41Å; I174-T178 WeakPolarHBondContact O-CG2 3.27Å; I174-T178 PolarHBondContact O-N 3.28Å; I174-T178 PolarHBondContact O-OG1 3.44Å; G175-T178 PolarHBondContact O-OG1 3Å; T178-M181 PolarHBondContact O-N 3.45Å; T178-S182 WeakPolarHBondContact O-CB 3.3Å; T178-S182 PolarHBondContact O-N 3.45Å; T178-I192 HydrophobicContact CG2-CB 3.87Å; T178-I192 HydrophobicContact CG2-CG2 3.37Å
179L89.9Confident89.4Confident118 Ų11866.7 Ų66.762%0.61838%0.384SS*.Hα-helixtrans-60.3-46.7175.6-81.5162000111.8G175 N176 S182G175-L179 WeakPolarHBondContact O-CG 3.4Å; G175-L179 PolarHBondContact O-N 3.05Å; G175-L179 VanDerWaalsContact O-N 3.13Å; N176-L179 PolarHBondContact O-N 2.89Å; L179-S182 WeakPolarHBondContact O-CB 3.49Å; L179-S182 PolarHBondContact O-N 3.44Å; L179-S182 PolarHBondContact O-OG 3.4Å
180A89.1Confident89.5Confident50 Ų5070.4 Ų70.441%0.41340%0.403SS..Hα-helixtrans-63.5-44.8178.100000112N176 A177 S182 T183N176-A180 WeakPolarHBondContact O-CB 3.39Å; N176-A180 PolarHBondContact O-N 3.38Å; A177-A180 PolarHBondContact O-N 2.97Å; A180-S182 VanDerWaalsContact C-N 3.29Å; A180-S182 PolarHBondContact O-N 3.4Å; A180-T183 PolarHBondContact O-N 2.92Å; A180-T183 PolarHBondContact O-OG1 3.35Å
181M87.8Confident89.6Confident63 Ų6371.6 Ų71.631%0.3141%0.409SS..Hα-helixtrans-69.5-25.6-178.9-68.8-66.4117.100113.3A177 T178 T183 I184 N185 T189 I192A177-M181 WeakPolarHBondContact O-CB 3.28Å; A177-M181 WeakPolarHBondContact O-CG 3.44Å; A177-M181 PolarHBondContact O-N 2.99Å; T178-M181 PolarHBondContact O-N 3.45Å; M181-T183 PolarHBondContact O-N 3.36Å; M181-T183 VanDerWaalsContact O-N 3.16Å; M181-I184 HydrophobicContact CE-CD1 3.56Å; M181-I184 PolarHBondContact O-N 3.31Å; M181-I184 HydrophobicContact SD-CD1 4.18Å; M181-N185 PolarHBondContact O-N 3.31Å; M181-T189 PolarHBondContact O-OG1 2.85Å; M181-T189 VanDerWaalsContact O-OG1 3.09Å; M181-I192 HydrophobicContact CB-CD1 4.17Å; M181-I192 HydrophobicContact CG-CD1 3.65Å
182S88Confident89.7Confident63 Ų6372.1 Ų72.144%0.44141%0.412SS..Hα-helixtrans-57.7-29.5177.2760000112.9T178 L179 A180 T189T178-S182 WeakPolarHBondContact O-CB 3.3Å; T178-S182 PolarHBondContact O-N 3.45Å; L179-S182 WeakPolarHBondContact O-CB 3.49Å; L179-S182 PolarHBondContact O-N 3.44Å; L179-S182 PolarHBondContact O-OG 3.4Å; A180-S182 VanDerWaalsContact C-N 3.29Å; A180-S182 PolarHBondContact O-N 3.4Å; S182-T189 VanDerWaalsContact CA-OG1 3.31Å; S182-T189 WeakPolarHBondContact CA-OG1 3.4Å; S182-T189 PolarHBondContact N-OG1 3.32Å
183T87.8Confident89.9Confident120 Ų12074 Ų7474%0.73642%0.419SS*.THydrogen-bonded Turntrans-81.4-19.6178.366.60000113.7A180 M181A180-T183 PolarHBondContact O-N 2.92Å; A180-T183 PolarHBondContact O-OG1 3.35Å; M181-T183 PolarHBondContact O-N 3.36Å; M181-T183 VanDerWaalsContact O-N 3.16Å
184I88.3Confident90.1Very high106 Ų10673.1 Ų73.154%0.54442%0.418SS..THydrogen-bonded Turntrans-98.5-58.2-172.8-60.4166.7000110.4M181M181-I184 HydrophobicContact CE-CD1 3.56Å; M181-I184 PolarHBondContact O-N 3.31Å; M181-I184 HydrophobicContact SD-CD1 4.18Å
185N88.8Confident90.2Very high95 Ų9575.5 Ų75.551%0.50843%0.43SS..  trans-148.9124.9-174.4-89.7-19.7000111.6M181 S188 T189M181-N185 PolarHBondContact O-N 3.31Å; N185-S188 VanDerWaalsContact CB-OG 3.26Å; N185-S188 WeakPolarHBondContact CB-OG 3.46Å; N185-S188 PolarHBondContact O-OG 2.95Å; N185-T189 PolarHBondContact O-N 3.31Å; N185-T189 PolarHBondContact O-OG1 3.38Å
186L87.8Confident90.4Very high145 Ų14576.2 Ų76.276%0.75943%0.43SS*.Hα-helixtrans-62-45.7177.5-161.479.3000114.4S188 T189 L190L186-S188 PolarHBondContact O-N 3.09Å; L186-T189 WeakPolarHBondContact O-CB 3.3Å; L186-T189 PolarHBondContact O-N 2.99Å; L186-L190 PolarHBondContact O-N 2.97Å
187P89Confident90.5Very high91 Ų9176.6 Ų76.659%0.59143%0.431SS*.Hα-helixtrans-68.4-37.1-17524.9-33.1000113.1T189 L190 I191P187-T189 VanDerWaalsContact C-N 3.31Å; P187-T189 PolarHBondContact O-N 2.88Å; P187-L190 PolarHBondContact O-N 3.27Å; P187-I191 PolarHBondContact O-N 3.06Å
188S87.7Confident90.9Very high38 Ų3880.5 Ų80.527%0.26645%0.446SS..Hα-helixtrans-66.7-34.4174.249.80000112.1N185 L186 L190 I191 I192N185-S188 VanDerWaalsContact CB-OG 3.26Å; N185-S188 WeakPolarHBondContact CB-OG 3.46Å; N185-S188 PolarHBondContact O-OG 2.95Å; L186-S188 PolarHBondContact O-N 3.09Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 2.85Å; S188-I191 PolarHBondContact O-N 2.99Å; S188-I192 WeakPolarHBondContact O-CG1 3.36Å; S188-I192 PolarHBondContact O-N 2.87Å; S188-I192 VanDerWaalsContact O-N 3.14Å
189T92.3Very high91Very high22 Ų2280.7 Ų80.714%0.13545%0.446CS..Hα-helixtrans-63-40.5176.4-55.10000111.3M181 S182 N185 L186 P187 I191 I192 F193M181-T189 PolarHBondContact O-OG1 2.85Å; M181-T189 VanDerWaalsContact O-OG1 3.09Å; S182-T189 VanDerWaalsContact CA-OG1 3.31Å; S182-T189 WeakPolarHBondContact CA-OG1 3.4Å; S182-T189 PolarHBondContact N-OG1 3.32Å; N185-T189 PolarHBondContact O-N 3.31Å; N185-T189 PolarHBondContact O-OG1 3.38Å; L186-T189 WeakPolarHBondContact O-CB 3.3Å; L186-T189 PolarHBondContact O-N 2.99Å; P187-T189 VanDerWaalsContact C-N 3.31Å; P187-T189 PolarHBondContact O-N 2.88Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.31Å; T189-I192 PolarHBondContact O-N 3.45Å; T189-F193 VanDerWaalsContact O-CB 3.28Å; T189-F193 WeakPolarHBondContact O-CB 3.26Å; T189-F193 PolarHBondContact O-N 3.23Å
190L91.7Very high91.1Very high120 Ų12077.6 Ų77.663%0.62843%0.432SS*.Hα-helixtrans-60.8-41.6177.2-162.778.1000111.6L186 P187 S188 F193 T194L186-L190 PolarHBondContact O-N 2.97Å; P187-L190 PolarHBondContact O-N 3.27Å; S188-L190 VanDerWaalsContact C-N 3.32Å; S188-L190 PolarHBondContact O-N 2.85Å; L190-F193 PolarHBondContact O-N 3.37Å; L190-T194 WeakPolarHBondContact O-CG2 3.49Å; L190-T194 PolarHBondContact O-N 2.62Å; L190-T194 PolarHBondContact O-OG1 3.11Å
191I92.9Very high91.3Very high105 Ų10580.1 Ų80.154%0.53844%0.438SS..Hα-helixtrans-64.2-44.4178.1-62.5165.9000111.3P187 S188 T189 F193 T194 I195P187-I191 PolarHBondContact O-N 3.06Å; S188-I191 PolarHBondContact O-N 2.99Å; T189-I191 VanDerWaalsContact C-N 3.31Å; T189-I191 PolarHBondContact O-N 3.31Å; I191-F193 VanDerWaalsContact C-N 3.31Å; I191-F193 PolarHBondContact O-N 2.96Å; I191-T194 PolarHBondContact O-N 3.34Å; I191-T194 PolarHBondContact O-OG1 2.8Å; I191-I195 HydrophobicContact CG2-CD1 4.35Å; I191-I195 WeakPolarHBondContact O-CG1 3.46Å; I191-I195 PolarHBondContact O-N 3.37Å
192I93.2Very high91.5Very high40 Ų4081.8 Ų81.821%0.20545%0.447CS..Hα-helixtrans-71-33.3179.9-56.9167.4000110.3I174 T178 M181 S188 T189 I195 L196I174-I192 HydrophobicContact CG2-CG2 3.81Å; T178-I192 HydrophobicContact CG2-CB 3.87Å; T178-I192 HydrophobicContact CG2-CG2 3.37Å; M181-I192 HydrophobicContact CB-CD1 4.17Å; M181-I192 HydrophobicContact CG-CD1 3.65Å; S188-I192 WeakPolarHBondContact O-CG1 3.36Å; S188-I192 PolarHBondContact O-N 2.87Å; S188-I192 VanDerWaalsContact O-N 3.14Å; T189-I192 PolarHBondContact O-N 3.45Å; I192-I195 WeakPolarHBondContact O-CB 3.23Å; I192-I195 PolarHBondContact O-N 2.94Å; I192-L196 PolarHBondContact O-N 3.37Å
193F92.8Very high91.7Very high107 Ų10779.3 Ų79.347%0.46943%0.429SS..Hα-helixtrans-66-38.9175.1-173.5-106.3000112.6T189 L190 I191 I195 L196 I197T189-F193 VanDerWaalsContact O-CB 3.28Å; T189-F193 WeakPolarHBondContact O-CB 3.26Å; T189-F193 PolarHBondContact O-N 3.23Å; L190-F193 PolarHBondContact O-N 3.37Å; I191-F193 VanDerWaalsContact C-N 3.31Å; I191-F193 PolarHBondContact O-N 2.96Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 3.13Å; F193-L196 HydrophobicContact CD2-CD2 4.45Å; F193-L196 WeakPolarHBondContact O-CB 3.48Å; F193-L196 PolarHBondContact O-N 2.93Å; F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.51Å; F193-I197 HydrophobicContact CE1-CG1 4.3Å; F193-I197 HydrophobicContact CZ-CD1 4.12Å; F193-I197 HydrophobicContact CZ-CG1 4.49Å; F193-I197 PolarHBondContact O-N 3.36Å; F193-I197 VanDerWaalsContact O-N 3.08Å
194T93.8Very high91.8Very high77 Ų7777.7 Ų77.747%0.47242%0.415SS..Hα-helixtrans-65-37.4173.357.20000111.7L190 I191 L196 I197 L198L190-T194 WeakPolarHBondContact O-CG2 3.49Å; L190-T194 PolarHBondContact O-N 2.62Å; L190-T194 PolarHBondContact O-OG1 3.11Å; I191-T194 PolarHBondContact O-N 3.34Å; I191-T194 PolarHBondContact O-OG1 2.8Å; T194-L196 VanDerWaalsContact C-N 3.34Å; T194-I197 PolarHBondContact O-N 2.81Å; T194-L198 PolarHBondContact O-N 3.48Å
195I94.6Very high92Very high83 Ų8374.8 Ų74.843%0.42641%0.407SS..Hα-helixtrans-61.7-42.3172.9-65.6166.5000110.9I174 I191 I192 F193 I197 L198 L199I174-I195 HydrophobicContact CD1-CG2 4.08Å; I191-I195 HydrophobicContact CG2-CD1 4.35Å; I191-I195 WeakPolarHBondContact O-CG1 3.46Å; I191-I195 PolarHBondContact O-N 3.37Å; I192-I195 WeakPolarHBondContact O-CB 3.23Å; I192-I195 PolarHBondContact O-N 2.94Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 3.13Å; I195-I197 PolarHBondContact O-N 3.13Å; I195-L198 PolarHBondContact O-N 2.99Å; I195-L199 WeakPolarHBondContact O-CB 3.31Å; I195-L199 PolarHBondContact O-N 2.88Å
196L93.6Very high92.2Very high32 Ų3272.1 Ų72.117%0.16839%0.394CS..Hα-helixtrans-59.6-44.8176.4-177.466.4000111.6I174 I192 F193 T194 L198 L199 T200I174-L196 HydrophobicContact CB-CD1 4.23Å; I174-L196 HydrophobicContact CG2-CB 3.96Å; I174-L196 HydrophobicContact CG2-CD1 4.01Å; I192-L196 PolarHBondContact O-N 3.37Å; F193-L196 HydrophobicContact CD2-CD2 4.45Å; F193-L196 WeakPolarHBondContact O-CB 3.48Å; F193-L196 PolarHBondContact O-N 2.93Å; T194-L196 VanDerWaalsContact C-N 3.34Å; L196-L198 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 3.44Å; L196-L199 WeakPolarHBondContact O-CB 3.01Å; L196-L199 PolarHBondContact O-N 3.45Å; L196-T200 WeakPolarHBondContact O-CG2 3.24Å; L196-T200 PolarHBondContact O-N 3.03Å
197I93.3Very high92.3Very high77 Ų7765.4 Ų65.440%0.39536%0.359SS..Hα-helixtrans-62.2-43176.4-66.8165.1000111.2F193 T194 I195 L199 T200 I201F193-I197 HydrophobicContact CD1-CD1 3.85Å; F193-I197 HydrophobicContact CE1-CD1 3.51Å; F193-I197 HydrophobicContact CE1-CG1 4.3Å; F193-I197 HydrophobicContact CZ-CD1 4.12Å; F193-I197 HydrophobicContact CZ-CG1 4.49Å; F193-I197 PolarHBondContact O-N 3.36Å; F193-I197 VanDerWaalsContact O-N 3.08Å; T194-I197 PolarHBondContact O-N 2.81Å; I195-I197 PolarHBondContact O-N 3.13Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.49Å; I197-T200 PolarHBondContact O-N 3.44Å; I197-T200 PolarHBondContact O-OG1 3.32Å; I197-I201 HydrophobicContact CG2-CD1 4.15Å; I197-I201 WeakPolarHBondContact O-CG1 3.11Å; I197-I201 PolarHBondContact O-N 3.42Å
198L95.1Very high92.3Very high121 Ų12166.2 Ų66.263%0.63436%0.358SS*.Hα-helixtrans-63.1-39.2178.4-174.863.8000111.4T194 I195 L196 I201 L202T194-L198 PolarHBondContact O-N 3.48Å; I195-L198 PolarHBondContact O-N 2.99Å; L196-L198 VanDerWaalsContact C-N 3.35Å; L196-L198 PolarHBondContact O-N 3.44Å; L198-I201 PolarHBondContact O-N 2.88Å; L198-L202 PolarHBondContact O-N 3.2Å
199L93.7Very high92.5Very high22 Ų2269 Ų6912%0.11537%0.369CS..Hα-helixtrans-64.5-41.7176.5-178.871.8000112.3L170 M171 I174 I195 L196 I197 I201 L202 E203L170-L199 HydrophobicContact CB-CD2 4.42Å; L170-L199 HydrophobicContact CD2-CD1 3.63Å; L170-L199 HydrophobicContact CD2-CD2 3.2Å; L170-L199 HydrophobicContact CD2-CG 4.03Å; L170-L199 HydrophobicContact CG-CD2 4.39Å; M171-L199 HydrophobicContact CB-CD2 4.29Å; M171-L199 HydrophobicContact CG-CD2 3.54Å; M171-L199 HydrophobicContact CG-CG 4.12Å; I174-L199 HydrophobicContact CD1-CD2 4.14Å; I195-L199 WeakPolarHBondContact O-CB 3.31Å; I195-L199 PolarHBondContact O-N 2.88Å; L196-L199 WeakPolarHBondContact O-CB 3.01Å; L196-L199 PolarHBondContact O-N 3.45Å; I197-L199 VanDerWaalsContact C-N 3.28Å; I197-L199 PolarHBondContact O-N 3.49Å; L199-I201 VanDerWaalsContact C-N 3.3Å; L199-I201 PolarHBondContact O-N 2.83Å; L199-L202 HydrophobicContact CD1-CD2 4.42Å; L199-L202 WeakPolarHBondContact O-CB 3.36Å; L199-L202 PolarHBondContact O-N 3.31Å; L199-E203 PolarHBondContact O-N 3.02Å
200T91.7Very high92.4Very high53 Ų5368.5 Ų68.533%0.32537%0.365SS..Hα-helixtrans-64.4-37.9178.361.40000111.6M171 L196 I197 E203 I204M171-T200 HydrophobicContact SD-CG2 3.92Å; L196-T200 WeakPolarHBondContact O-CG2 3.24Å; L196-T200 PolarHBondContact O-N 3.03Å; I197-T200 PolarHBondContact O-N 3.44Å; I197-T200 PolarHBondContact O-OG1 3.32Å; T200-E203 PolarHBondContact O-N 3.44Å; T200-I204 VanDerWaalsContact O-CG1 3.29Å; T200-I204 WeakPolarHBondContact O-CG1 3.34Å; T200-I204 PolarHBondContact O-N 3.19Å
201I93.3Very high92.3Very high103 Ų10362.8 Ų62.853%0.52834%0.335SS..Hα-helixtrans-62.6-43.9173.8-64.9167000110.7I197 L198 L199 E203 I204 A205I197-I201 HydrophobicContact CG2-CD1 4.15Å; I197-I201 WeakPolarHBondContact O-CG1 3.11Å; I197-I201 PolarHBondContact O-N 3.42Å; L198-I201 PolarHBondContact O-N 2.88Å; L199-I201 VanDerWaalsContact C-N 3.3Å; L199-I201 PolarHBondContact O-N 2.83Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.42Å; I201-I204 PolarHBondContact O-N 3.48Å; I201-A205 PolarHBondContact O-N 2.96Å
202L92.5Very high92.2Very high98 Ų9862.8 Ų62.851%0.51333%0.329SS..Hα-helixtrans-59.5-45.6175.9179.567.8000111L198 L199 I204 A205 V206L198-L202 PolarHBondContact O-N 3.2Å; L199-L202 HydrophobicContact CD1-CD2 4.42Å; L199-L202 WeakPolarHBondContact O-CB 3.36Å; L199-L202 PolarHBondContact O-N 3.31Å; L202-I204 VanDerWaalsContact C-N 3.35Å; L202-I204 PolarHBondContact O-N 3.02Å; L202-A205 WeakPolarHBondContact O-CB 3.32Å; L202-A205 PolarHBondContact O-N 2.97Å; L202-A205 VanDerWaalsContact O-N 3.11Å; L202-V206 HydrophobicContact CD1-CG2 4.37Å; L202-V206 HydrophobicContact CG-CG2 4.31Å; L202-V206 WeakPolarHBondContact O-CG2 3.45Å; L202-V206 PolarHBondContact O-N 3.06Å
203E91.1Very high92.1Very high11 Ų1162.9 Ų62.95%0.05133%0.331CS..Hα-helixtrans-67.1-36.1-176.7-163.264.3-161.500112.2L87 G167 M171 L199 T200 I201 A205 V206 A207L87-E203 HydrophobicContact CD1-CG 4.37Å; L87-E203 HydrophobicContact CD2-CB 4.22Å; L87-E203 HydrophobicContact CD2-CG 3.4Å; G167-E203 WeakPolarHBondContact CA-OE2 3.39Å; M171-E203 HydrophobicContact CE-CG 4.16Å; L199-E203 PolarHBondContact O-N 3.02Å; T200-E203 PolarHBondContact O-N 3.44Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 3.42Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 2.92Å; E203-V206 PolarHBondContact O-N 3.11Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.42Å; E203-A207 PolarHBondContact O-N 3.1Å
204I91.4Very high91.9Very high85 Ų8557.8 Ų57.844%0.43631%0.309SS..Hα-helixtrans-59.8-43.2171.4-67.4164.6000110.6L87 T200 I201 L202 L208L87-I204 HydrophobicContact CD1-CB 4.23Å; L87-I204 HydrophobicContact CD1-CG1 3.63Å; T200-I204 VanDerWaalsContact O-CG1 3.29Å; T200-I204 WeakPolarHBondContact O-CG1 3.34Å; T200-I204 PolarHBondContact O-N 3.19Å; I201-I204 PolarHBondContact O-N 3.48Å; L202-I204 VanDerWaalsContact C-N 3.35Å; L202-I204 PolarHBondContact O-N 3.02Å; I204-L208 PolarHBondContact O-N 3.06Å
205A92.3Very high91.7Very high46 Ų4654.1 Ų54.138%0.3829%0.287SS..Hα-helixtrans-65.4-45.6177.100000111.7I201 L202 E203 A207 L208 I209I201-A205 PolarHBondContact O-N 2.96Å; L202-A205 WeakPolarHBondContact O-CB 3.32Å; L202-A205 PolarHBondContact O-N 2.97Å; L202-A205 VanDerWaalsContact O-N 3.11Å; E203-A205 VanDerWaalsContact C-N 3.3Å; E203-A205 PolarHBondContact O-N 2.92Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.19Å; A205-L208 PolarHBondContact O-N 2.91Å; A205-I209 WeakPolarHBondContact O-CB 3.46Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.41Å; A205-I209 PolarHBondContact O-N 2.78Å
206V92.1Very high91.4Very high38 Ų3853 Ų5323%0.2328%0.281CS..Hα-helixtrans-61-42.4178.11730000111.1N163 L202 E203 L208 I209 Q210N163-V206 HydrophobicContact CB-CG1 4.11Å; L202-V206 HydrophobicContact CD1-CG2 4.37Å; L202-V206 HydrophobicContact CG-CG2 4.31Å; L202-V206 WeakPolarHBondContact O-CG2 3.45Å; L202-V206 PolarHBondContact O-N 3.06Å; E203-V206 PolarHBondContact O-N 3.11Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.48Å; V206-I209 PolarHBondContact O-N 3.41Å; V206-Q210 WeakPolarHBondContact O-CB 3.29Å; V206-Q210 PolarHBondContact O-N 3.38Å
207A89.9Confident91.1Very high4 Ų453.3 Ų53.33%0.03328%0.283CS..Hα-helixtrans-57.4-42178.200000112.8N83 L87 E203 A205 A211N83-A207 HydrophobicContact CB-CB 3.91Å; N83-A207 PolarHBondContact ND2-O 3.22Å; L87-A207 HydrophobicContact CD1-CB 4.1Å; E203-A207 VanDerWaalsContact O-CB 3.3Å; E203-A207 WeakPolarHBondContact O-CB 3.42Å; E203-A207 PolarHBondContact O-N 3.1Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-A207 PolarHBondContact O-N 3.19Å; A207-A211 PolarHBondContact O-N 3.41Å
208L89.8Confident90.8Very high109 Ų10949.9 Ų49.957%0.57127%0.265SS*.Hα-helixtrans-76.4-43.8179.4-169.8145.4000112I204 A205 V206 Q210 A211 Y212I204-L208 PolarHBondContact O-N 3.06Å; A205-L208 PolarHBondContact O-N 2.91Å; V206-L208 VanDerWaalsContact C-N 3.32Å; V206-L208 PolarHBondContact O-N 3.48Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.01Å; L208-A211 PolarHBondContact O-N 2.95Å; L208-Y212 PolarHBondContact O-N 3.39Å; L208-Y212 VanDerWaalsContact O-N 3.16Å
209I91.4Very high90.4Very high96 Ų9644.6 Ų44.649%0.49224%0.239SC..Hα-helixtrans-61-40.8177.2-68.9166.5000110.3A205 V206 A211 Y212 V213A205-I209 WeakPolarHBondContact O-CB 3.46Å; A205-I209 VanDerWaalsContact O-CG1 3.26Å; A205-I209 WeakPolarHBondContact O-CG1 3.41Å; A205-I209 PolarHBondContact O-N 2.78Å; V206-I209 PolarHBondContact O-N 3.41Å; I209-A211 PolarHBondContact O-N 3.23Å; I209-Y212 WeakPolarHBondContact O-CB 3.5Å; I209-Y212 PolarHBondContact O-N 3.49Å; I209-V213 HydrophobicContact CG2-CG2 4.04Å; I209-V213 WeakPolarHBondContact O-CG2 3.46Å; I209-V213 PolarHBondContact O-N 2.92Å
210Q89.8Confident90Very high11 Ų1147.1 Ų47.15%0.05125%0.252CS..Hα-helixtrans-67.4-37.7-177.7-172.963.98.300112.2R159 L160 V206 L208 Y212 F214R159-Q210 VanDerWaalsContact C-NE2 3.27Å; R159-Q210 VanDerWaalsContact CG-NE2 3.34Å; L160-Q210 VanDerWaalsContact CA-NE2 3.25Å; L160-Q210 HydrophobicContact CB-CG 4.24Å; L160-Q210 HydrophobicContact CD1-CB 4.33Å; L160-Q210 HydrophobicContact CD1-CG 3.38Å; L160-Q210 HydrophobicContact CG-CG 4.4Å; V206-Q210 WeakPolarHBondContact O-CB 3.29Å; V206-Q210 PolarHBondContact O-N 3.38Å; L208-Q210 VanDerWaalsContact C-N 3.27Å; L208-Q210 PolarHBondContact O-N 3.01Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Q210-F214 VanDerWaalsContact O-CB 3.31Å; Q210-F214 WeakPolarHBondContact O-CB 3.42Å; Q210-F214 PolarHBondContact O-N 3.39Å
211A90.4Very high89.5Confident1 Ų145.5 Ų45.51%0.00824%0.24CC..Hα-helixtrans-61-43.9171.700000111.3I76 I79 A80 A207 L208 I209 T215I76-A211 HydrophobicContact CG1-CB 4.45Å; I79-A211 HydrophobicContact CB-CB 4.02Å; I79-A211 HydrophobicContact CG2-CB 3.76Å; A80-A211 HydrophobicContact CB-CB 3.93Å; A207-A211 PolarHBondContact O-N 3.41Å; L208-A211 PolarHBondContact O-N 2.95Å; I209-A211 PolarHBondContact O-N 3.23Å; A211-T215 VanDerWaalsContact O-CG2 3.31Å; A211-T215 WeakPolarHBondContact O-CG2 3.4Å; A211-T215 PolarHBondContact O-N 2.88Å; A211-T215 PolarHBondContact O-OG1 3.36Å
212Y90.5Very high89Confident105 Ų10540.7 Ų40.741%0.41222%0.216SC..Hα-helixtrans-62.9-51.5176.7177.7-101.3000112.3M57 I76 L208 I209 Q210 F214 T215 L216M57-Y212 HydrophobicContact CE-CD2 4.39Å; I76-Y212 HydrophobicContact CD1-CD2 4.14Å; L208-Y212 PolarHBondContact O-N 3.39Å; L208-Y212 VanDerWaalsContact O-N 3.16Å; I209-Y212 WeakPolarHBondContact O-CB 3.5Å; I209-Y212 PolarHBondContact O-N 3.49Å; Q210-Y212 VanDerWaalsContact C-N 3.33Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.28Å; Y212-T215 PolarHBondContact O-N 3.49Å; Y212-T215 PolarHBondContact O-OG1 2.88Å; Y212-L216 HydrophobicContact CE1-CD1 3.61Å; Y212-L216 HydrophobicContact CE2-CD1 4.47Å; Y212-L216 WeakPolarHBondContact O-CB 3.41Å; Y212-L216 PolarHBondContact O-N 2.94Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.44Å
213V90.4Very high88.5Confident41 Ų4139.9 Ų39.925%0.24821%0.209CC..Hα-helixtrans-60.7-39179.91720000111.4I209 L217I209-V213 HydrophobicContact CG2-CG2 4.04Å; I209-V213 WeakPolarHBondContact O-CG2 3.46Å; I209-V213 PolarHBondContact O-N 2.92Å; V213-L217 HydrophobicContact CG1-CD1 3.93Å; V213-L217 WeakPolarHBondContact O-CG 3.48Å; V213-L217 PolarHBondContact O-N 3.29Å
214F88.5Confident88Confident0 Ų042.8 Ų42.80%023%0.225CC..Hα-helixtrans-58.5-52.7176.7-174.2-77000110.9L75 I79 M104 A105 L108 L156 L160 Q210 Y212 L217 V218L75-F214 HydrophobicContact CD1-CE1 4.2Å; L75-F214 HydrophobicContact CD2-CD1 3.8Å; L75-F214 HydrophobicContact CD2-CE1 3.73Å; L75-F214 HydrophobicContact CG-CD1 4.42Å; L75-F214 HydrophobicContact CG-CE1 4.27Å; I79-F214 HydrophobicContact CD1-CB 4.25Å; I79-F214 HydrophobicContact CD1-CD1 3.38Å; I79-F214 HydrophobicContact CD1-CD2 4.32Å; I79-F214 HydrophobicContact CD1-CE1 3.72Å; I79-F214 HydrophobicContact CD1-CG 3.74Å; I79-F214 HydrophobicContact CD1-CZ 4.31Å; M104-F214 HydrophobicContact CB-CZ 4.45Å; A105-F214 HydrophobicContact CB-CE2 4.35Å; A105-F214 HydrophobicContact CB-CZ 4.14Å; L108-F214 HydrophobicContact CD1-CE1 4.13Å; L156-F214 HydrophobicContact CD1-CD2 4.18Å; L156-F214 HydrophobicContact CD1-CG 4.43Å; L156-F214 HydrophobicContact CD2-CD1 4.13Å; L156-F214 HydrophobicContact CD2-CD2 3.36Å; L156-F214 HydrophobicContact CD2-CE1 3.93Å; L156-F214 HydrophobicContact CD2-CE2 3.13Å; L156-F214 HydrophobicContact CD2-CG 3.87Å; L156-F214 HydrophobicContact CD2-CZ 3.44Å; L156-F214 VanDerWaalsContact CD2-CZ 3.44Å; L156-F214 HydrophobicContact CG-CD2 3.46Å; L156-F214 VanDerWaalsContact CG-CD2 3.46Å; L156-F214 HydrophobicContact CG-CE2 3.63Å; L156-F214 HydrophobicContact CG-CG 4.13Å; L156-F214 HydrophobicContact CG-CZ 4.4Å; L160-F214 HydrophobicContact CD2-CD2 4.33Å; Q210-F214 VanDerWaalsContact O-CB 3.31Å; Q210-F214 WeakPolarHBondContact O-CB 3.42Å; Q210-F214 PolarHBondContact O-N 3.39Å; Y212-F214 VanDerWaalsContact C-N 3.29Å; Y212-F214 PolarHBondContact O-N 3.28Å; F214-L217 PolarHBondContact O-N 3.31Å; F214-V218 HydrophobicContact CD1-CG2 4.33Å; F214-V218 HydrophobicContact CE1-CG2 4.13Å; F214-V218 WeakPolarHBondContact O-CG2 3.49Å; F214-V218 PolarHBondContact O-N 3.14Å
215T89.8Confident87.2Confident0 Ų040.3 Ų40.30%021%0.212CC..Hα-helixtrans-69.8-35.7-177.459.20000113.1M57 L75 I76 A211 Y212 V218 S219M57-T215 WeakPolarHBondContact CE-OG1 3.36Å; L75-T215 HydrophobicContact CB-CG2 4.23Å; L75-T215 HydrophobicContact CD2-CG2 3.49Å; L75-T215 VanDerWaalsContact CD2-CG2 3.49Å; L75-T215 HydrophobicContact CG-CG2 3.92Å; I76-T215 VanDerWaalsContact CA-CG2 3.45Å; I76-T215 HydrophobicContact CB-CG2 3.46Å; I76-T215 VanDerWaalsContact CB-CG2 3.46Å; I76-T215 HydrophobicContact CG1-CG2 4.08Å; A211-T215 VanDerWaalsContact O-CG2 3.31Å; A211-T215 WeakPolarHBondContact O-CG2 3.4Å; A211-T215 PolarHBondContact O-N 2.88Å; A211-T215 PolarHBondContact O-OG1 3.36Å; Y212-T215 PolarHBondContact O-N 3.49Å; Y212-T215 PolarHBondContact O-OG1 2.88Å; T215-V218 PolarHBondContact O-N 2.79Å; T215-S219 WeakPolarHBondContact O-CB 3.46Å; T215-S219 PolarHBondContact O-N 3.19Å
216L89Confident86.1Confident61 Ų6139.6 Ų39.632%0.31920%0.203SC..Hα-helixtrans-62.5-45.8176.1-175.3147.8000111.2Y212 V218 S219 L220Y212-L216 HydrophobicContact CE1-CD1 3.61Å; Y212-L216 HydrophobicContact CE2-CD1 4.47Å; Y212-L216 WeakPolarHBondContact O-CB 3.41Å; Y212-L216 PolarHBondContact O-N 2.94Å; Y212-L216 WeakPolarHBondContact OH-CD1 3.44Å; L216-V218 PolarHBondContact O-N 3.41Å; L216-S219 WeakPolarHBondContact CA-OG 3.19Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 PolarHBondContact O-N 3.46Å; L216-S219 VanDerWaalsContact O-N 3.17Å; L216-S219 PolarHBondContact O-OG 3.24Å; L216-L220 PolarHBondContact O-N 3.24Å
217L86.8Confident85.8Confident37 Ų3739.7 Ų39.719%0.19420%0.202CC..Hα-helixtrans-62.8-42.9177.4-75.5167.6000111.9L156 R159 V213 F214 S219 L220 Y221L156-L217 HydrophobicContact CD1-CB 3.83Å; L156-L217 HydrophobicContact CD1-CD1 3.43Å; L156-L217 VanDerWaalsContact CD1-CD1 3.43Å; L156-L217 HydrophobicContact CD1-CG 4.26Å; R159-L217 VanDerWaalsContact NH1-CD1 3.34Å; V213-L217 HydrophobicContact CG1-CD1 3.93Å; V213-L217 WeakPolarHBondContact O-CG 3.48Å; V213-L217 PolarHBondContact O-N 3.29Å; F214-L217 PolarHBondContact O-N 3.31Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.32Å; L217-L220 PolarHBondContact O-N 3.49Å; L217-Y221 HydrophobicContact CB-CE2 4.15Å; L217-Y221 WeakPolarHBondContact O-CD2 3.43Å; L217-Y221 WeakPolarHBondContact O-CE2 3.47Å; L217-Y221 VanDerWaalsContact O-CG 3.31Å; L217-Y221 PolarHBondContact O-N 3.19Å
218V86.4Confident85.6Confident5 Ų541.5 Ų41.53%0.0321%0.211CC..Hα-helixtrans-59.6-40.8174.1176.80000111.2L72 L108 L156 F214 T215 L216 Y221 L222L72-V218 HydrophobicContact CD2-CB 4.23Å; L72-V218 HydrophobicContact CD2-CG1 3.88Å; L108-V218 HydrophobicContact CB-CG1 4.28Å; L156-V218 HydrophobicContact CD2-CG2 4.29Å; F214-V218 HydrophobicContact CD1-CG2 4.33Å; F214-V218 HydrophobicContact CE1-CG2 4.13Å; F214-V218 WeakPolarHBondContact O-CG2 3.49Å; F214-V218 PolarHBondContact O-N 3.14Å; T215-V218 PolarHBondContact O-N 2.79Å; L216-V218 PolarHBondContact O-N 3.41Å; V218-Y221 PolarHBondContact O-N 2.63Å; V218-L222 PolarHBondContact O-N 3.09Å
219S87.3Confident85.3Confident11 Ų1137.8 Ų37.88%0.07719%0.191CC..Hα-helixtrans-67.4-37.7177.181.50000112.5H61 T215 L216 L217 L222 H223H61-S219 PolarHBondContact NE2-O 3.08Å; T215-S219 WeakPolarHBondContact O-CB 3.46Å; T215-S219 PolarHBondContact O-N 3.19Å; L216-S219 WeakPolarHBondContact CA-OG 3.19Å; L216-S219 CarbonylContact O-C 3.58Å; L216-S219 PolarHBondContact O-N 3.46Å; L216-S219 VanDerWaalsContact O-N 3.17Å; L216-S219 PolarHBondContact O-OG 3.24Å; L217-S219 VanDerWaalsContact C-N 3.27Å; L217-S219 PolarHBondContact O-N 3.32Å; S219-L222 WeakPolarHBondContact O-CB 3.41Å; S219-L222 PolarHBondContact O-N 2.75Å; S219-L222 VanDerWaalsContact O-N 3.16Å; S219-H223 PolarHBondContact O-N 3.22Å
220L85.5Confident85Confident75 Ų7534.4 Ų34.439%0.39317%0.173SC..Hα-helixtrans-64.9-41175.3-171.8149.2000110.7L216 L217 L222 H223 D224L216-L220 PolarHBondContact O-N 3.24Å; L217-L220 PolarHBondContact O-N 3.49Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.49Å; L220-H223 WeakPolarHBondContact O-CA 3.33Å; L220-H223 WeakPolarHBondContact O-CB 3.47Å; L220-H223 PolarHBondContact O-N 3Å; L220-H223 VanDerWaalsContact O-N 3.08Å; L220-D224 VanDerWaalsContact CD2-OD2 3.25Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.26Å; L220-D224 PolarHBondContact O-N 3.41Å
221Y81.5Confident84.7Confident18 Ų1835.8 Ų35.87%0.07118%0.181CC..Hα-helixtrans-61.7-37.5172.7-59.7-42.1000112.6Q152 L217 V218 H223 N225Q152-Y221 HydrophobicContact CG-CE1 4.3Å; Q152-Y221 WeakPolarHBondContact CG-OH 3.35Å; Q152-Y221 PolarHBondContact NE2-OH 3.16Å; Q152-Y221 PolarHBondContact OE1-OH 3.05Å; L217-Y221 HydrophobicContact CB-CE2 4.15Å; L217-Y221 WeakPolarHBondContact O-CD2 3.43Å; L217-Y221 WeakPolarHBondContact O-CE2 3.47Å; L217-Y221 VanDerWaalsContact O-CG 3.31Å; L217-Y221 PolarHBondContact O-N 3.19Å; V218-Y221 PolarHBondContact O-N 2.63Å; Y221-H223 VanDerWaalsContact C-N 3.32Å; Y221-N225 VanDerWaalsContact O-CB 3.32Å; Y221-N225 WeakPolarHBondContact O-CB 3.44Å; Y221-N225 PolarHBondContact O-N 2.98Å; Y221-N225 VanDerWaalsContact O-N 3.16Å; Y221-N225 PolarHBondContact O-ND2 3.41Å
222L82.8Confident84.3Confident3 Ų338.1 Ų38.12%0.01619%0.192CC..Hα-helixtrans-63.8-43.3174.2-160.193.9000110.7G65 W68 A112 V218 S219 L220 N225 T226G65-L222 WeakPolarHBondContact O-CD2 3.28Å; W68-L222 HydrophobicContact CB-CD1 4.24Å; W68-L222 HydrophobicContact CB-CD2 3.75Å; W68-L222 HydrophobicContact CD2-CD1 3.35Å; W68-L222 HydrophobicContact CD2-CD2 4.48Å; W68-L222 HydrophobicContact CE3-CD1 3.43Å; W68-L222 VanDerWaalsContact CE3-CD1 3.43Å; W68-L222 HydrophobicContact CG-CD1 3.65Å; W68-L222 HydrophobicContact CG-CD2 3.9Å; W68-L222 HydrophobicContact CG-CG 4.44Å; W68-L222 HydrophobicContact CZ2-CD1 4.4Å; W68-L222 HydrophobicContact CZ3-CD1 4.06Å; A112-L222 HydrophobicContact CB-CD1 4.41Å; V218-L222 PolarHBondContact O-N 3.09Å; S219-L222 WeakPolarHBondContact O-CB 3.41Å; S219-L222 PolarHBondContact O-N 2.75Å; S219-L222 VanDerWaalsContact O-N 3.16Å; L220-L222 VanDerWaalsContact C-N 3.27Å; L220-L222 PolarHBondContact O-N 3.49Å; L222-N225 PolarHBondContact O-N 3.47Å; L222-T226 HydrophobicContact CG-CG2 4.25Å; L222-T226 WeakPolarHBondContact O-CB 3.31Å; L222-T226 WeakPolarHBondContact O-CG2 3.41Å; L222-T226 PolarHBondContact O-N 3.36Å; L222-T226 VanDerWaalsContact O-N 3.09Å; L222-T226 PolarHBondContact O-OG1 3.3Å
223H82.8Confident83.9Confident81 Ų8133.4 Ų33.438%0.37518%0.176SC..Hα-helixtrans-59-51.9177.8-175.584.6000111.6M60 S219 L220 Y221 N225 T226M60-H223 PolarHBondContact O-CE1 3.28Å; M60-H223 PolarHBondContact O-ND1 2.99Å; S219-H223 PolarHBondContact O-N 3.22Å; L220-H223 WeakPolarHBondContact O-CA 3.33Å; L220-H223 WeakPolarHBondContact O-CB 3.47Å; L220-H223 PolarHBondContact O-N 3Å; L220-H223 VanDerWaalsContact O-N 3.08Å; Y221-H223 VanDerWaalsContact C-N 3.32Å; H223-N225 PolarHBondContact O-N 3.47Å; H223-T226 PolarHBondContact O-N 3.41Å; H223-T226 VanDerWaalsContact O-N 3.13Å; H223-T226 PolarHBondContact O-OG1 2.97Å
224D79.3Confident83.4Confident72 Ų7232.8 Ų32.839%0.38517%0.171SC..Hα-helixtrans-60.7-31.8-179.5-65.8-12.4000112.5L220L220-D224 VanDerWaalsContact CD2-OD2 3.25Å; L220-D224 WeakPolarHBondContact CD2-OD2 3.26Å; L220-D224 PolarHBondContact O-N 3.41Å
225N74.8Confident82.9Confident33 Ų3335.5 Ų35.518%0.17619%0.185CC..Hα-helixtrans-91.1-2.1-179.6-73.8-68.5000114.4G116 Y221 L222 H223G116-N225 WeakPolarHBondContact CA-O 3.42Å; Y221-N225 VanDerWaalsContact O-CB 3.32Å; Y221-N225 WeakPolarHBondContact O-CB 3.44Å; Y221-N225 PolarHBondContact O-N 2.98Å; Y221-N225 VanDerWaalsContact O-N 3.16Å; Y221-N225 PolarHBondContact O-ND2 3.41Å; L222-N225 PolarHBondContact O-N 3.47Å; H223-N225 PolarHBondContact O-N 3.47Å
226T69.3Low82.3Confident30 Ų3038.7 Ų38.718%0.18420%0.202CC..  trans-108.70-178.2560000115M115 K120 L222 H223M115-T226 HydrophobicContact CE-CG2 4.41Å; K120-T226 WeakPolarHBondContact CE-O 3.4Å; K120-T226 PolarHBondContact NZ-O 3.49Å; K120-T226 PolarHBondContact NZ-OXT 3.18Å; L222-T226 HydrophobicContact CG-CG2 4.25Å; L222-T226 WeakPolarHBondContact O-CB 3.31Å; L222-T226 WeakPolarHBondContact O-CG2 3.41Å; L222-T226 PolarHBondContact O-N 3.36Å; L222-T226 VanDerWaalsContact O-N 3.09Å; L222-T226 PolarHBondContact O-OG1 3.3Å; H223-T226 PolarHBondContact O-N 3.41Å; H223-T226 VanDerWaalsContact O-N 3.13Å; H223-T226 PolarHBondContact O-OG1 2.97Å

Retrieved 226 of 226 residues in 125.1 ms (Link to these results)

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