A0A075X6V9_HUMAN Loading...

ATP synthase subunit a

AlphaFold DB , UniProt , Accession A0A075X6V9, Species HUMAN (Homo sapiens, Human), Gene ATP6, Length 223 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
1N70.8Confident80.3Confident180 Ų18085 Ų8596%0.96348%0.483SS*.  0900-70.4-8.1000110.7F3 A4N1-F3 VanDerWaalsContact C-N 3.28Å; N1-F3 PolarHBondContact O-N 3.4Å; N1-A4 HydrophobicContact CB-CB 3.82Å; N1-A4 PolarHBondContact O-N 3.36Å
2L73.1Confident80.6Confident58 Ų5892.6 Ų92.630%0.30452%0.519SS..THydrogen-bonded Turntrans-61.2-35.4-178.1-72.8163.2000113L166 H169 L170L2-L166 HydrophobicContact CB-CD2 4.36Å; L2-H169 HydrophobicContact CD2-CB 4.16Å; L2-H169 WeakPolarHBondContact CD2-ND1 3.13Å; L2-L170 HydrophobicContact CD1-CD2 3.98Å; L2-L170 HydrophobicContact CD2-CD2 4.1Å; L2-L170 HydrophobicContact CD2-CG 4.41Å
3F80.8Confident80.9Confident141 Ų14190.8 Ų90.862%0.61854%0.535SS*.THydrogen-bonded Turntrans-88.3-4-175.8-64.5-76.3000114.7N1 S5 F6 L166N1-F3 VanDerWaalsContact C-N 3.28Å; N1-F3 PolarHBondContact O-N 3.4Å; F3-S5 PolarHBondContact O-N 3.07Å; F3-F6 AromaticContact CD1-CD2 3.98Å; F3-F6 HydrophobicContact CD1-CD2 3.98Å; F3-F6 HydrophobicContact CD1-CE2 4.34Å; F3-F6 PolarHBondContact O-N 3.35Å; F3-L166 HydrophobicContact CD1-CD2 4.4Å; F3-L166 HydrophobicContact CE1-CD1 4.16Å; F3-L166 HydrophobicContact CE1-CD2 4.04Å; F3-L166 HydrophobicContact CZ-CD2 4.45Å
4A77.4Confident81.1Confident53 Ų5393.4 Ų93.444%0.43854%0.544SS..G310 helixtrans-62.7-30.4-176.400000112.6N1 F6 I7N1-A4 HydrophobicContact CB-CB 3.82Å; N1-A4 PolarHBondContact O-N 3.36Å; A4-F6 VanDerWaalsContact C-N 3.25Å; A4-F6 PolarHBondContact O-N 3.29Å; A4-I7 PolarHBondContact O-N 3.12Å
5S78.1Confident81.4Confident58 Ų5892.5 Ų92.541%0.40654%0.542SS..G310 helixtrans-68.7-19.9176.353.10000114F3 F89F3-S5 PolarHBondContact O-N 3.07Å; S5-F89 WeakPolarHBondContact O-CD2 3.05Å
6F80.6Confident81.6Confident23 Ų2387.9 Ų87.910%0.10152%0.518CS..G310 helixtrans-93.3-9.7179.2-58.7-69000113.1F3 A4 A8 T93 Q94 T162 H165 L166F3-F6 AromaticContact CD1-CD2 3.98Å; F3-F6 HydrophobicContact CD1-CD2 3.98Å; F3-F6 HydrophobicContact CD1-CE2 4.34Å; F3-F6 PolarHBondContact O-N 3.35Å; A4-F6 VanDerWaalsContact C-N 3.25Å; A4-F6 PolarHBondContact O-N 3.29Å; F6-A8 PolarHBondContact O-N 2.92Å; F6-T93 HydrophobicContact CD1-CG2 3.9Å; F6-T93 HydrophobicContact CE1-CG2 3.74Å; F6-Q94 PolarHBondContact O-NE2 3.33Å; F6-T162 HydrophobicContact CD1-CG2 4.49Å; F6-T162 HydrophobicContact CE1-CG2 4.14Å; F6-H165 HydrophobicContact CE1-CB 4.18Å; F6-H165 HydrophobicContact CZ-CB 3.87Å; F6-L166 HydrophobicContact CE2-CD1 4.48Å; F6-L166 HydrophobicContact CE2-CD2 3.72Å; F6-L166 HydrophobicContact CE2-CG 3.82Å; F6-L166 HydrophobicContact CZ-CD2 4.34Å; F6-L166 HydrophobicContact CZ-CG 3.97Å
7I83.7Confident81.8Confident121 Ų12183.9 Ų83.962%0.62150%0.498SS*.SBendtrans-70.6128.5178.6-59.1173.4000108.2A4 P9A4-I7 PolarHBondContact O-N 3.12Å; I7-P9 WeakPolarHBondContact O-CD 3.39Å
8A82.6Confident82Confident52 Ų5283.9 Ų83.943%0.4350%0.498SS..PPolyproline II helixtrans-57.7121.5179.500000110.2F6 T10F6-A8 PolarHBondContact O-N 2.92Å; A8-T10 PolarHBondContact O-N 3.4Å
9P82.8Confident82.2Confident39 Ų3986.2 Ų86.225%0.25351%0.507SS..PPolyproline II helixtrans-71126.6-174.226.9-33000109.9I7 A16 I20 F89I7-P9 WeakPolarHBondContact O-CD 3.39Å; P9-A16 HydrophobicContact CB-CB 4.2Å; P9-A16 HydrophobicContact CG-CB 4.27Å; P9-A16 WeakPolarHBondContact O-CB 3.49Å; P9-A16 PolarHBondContact O-N 3.47Å; P9-I20 HydrophobicContact CG-CD1 3.65Å; P9-F89 HydrophobicContact CG-CB 4.4Å; P9-F89 HydrophobicContact CG-CD1 4.13Å; P9-F89 HydrophobicContact CG-CG 4.09Å
10T86.9Confident82.4Confident100 Ų10084.4 Ų84.461%0.61349%0.494SS*.EExtended strand (participates in β ladder)trans-116.7126170.4520000108.5A8 L14A8-T10 PolarHBondContact O-N 3.4Å; T10-L14 CarbonylContact C-O 3.58Å; T10-L14 VanDerWaalsContact CA-O 3.27Å; T10-L14 WeakPolarHBondContact CA-O 3.39Å
11I86.6Confident82.6Confident110 Ų11082.8 Ų82.856%0.56448%0.483SS*.EExtended strand (participates in β ladder)trans-113122.7176.1-62.7172.6000106.2G13 L14 A16I11-G13 PolarHBondContact O-N 3.36Å; I11-G13 VanDerWaalsContact O-N 3.12Å; I11-L14 PolarHBondContact N-O 3.49Å; I11-L14 PolarHBondContact O-N 3.48Å; I11-A16 HydrophobicContact CD1-CB 3.84Å; I11-A16 HydrophobicContact CG1-CB 3.95Å
12L83.9Confident83.4Confident176 Ų17679.8 Ų79.892%0.92147%0.467SS*.THydrogen-bonded Turntrans54.431.3179.4-70.9150.4000113.7L14L12-L14 VanDerWaalsContact C-N 3.28Å; L12-L14 PolarHBondContact O-N 3.47Å
13G84.3Confident84.1Confident70 Ų7081.6 Ų81.672%0.72247%0.472SS*.THydrogen-bonded Turntrans81.3-3.4-177.400000115.2I11I11-G13 PolarHBondContact O-N 3.36Å; I11-G13 VanDerWaalsContact O-N 3.12Å
14L83.6Confident84.5Confident127 Ų12775 Ų7567%0.66544%0.444SS*.EExtended strand (participates in β ladder)trans-93.8140.9173.7-67.9168.1000111.2T10 I11 L12 A16T10-L14 CarbonylContact C-O 3.58Å; T10-L14 VanDerWaalsContact CA-O 3.27Å; T10-L14 WeakPolarHBondContact CA-O 3.39Å; I11-L14 PolarHBondContact N-O 3.49Å; I11-L14 PolarHBondContact O-N 3.48Å; L12-L14 VanDerWaalsContact C-N 3.28Å; L12-L14 PolarHBondContact O-N 3.47Å; L14-A16 PolarHBondContact O-N 2.98Å
15P85Confident84.8Confident79 Ų7976 Ų7651%0.51345%0.445SS..EExtended strand (participates in β ladder)trans-71.4103.6177.529-33.1000110.5A17 V18P15-A17 PolarHBondContact O-N 3.25Å; P15-V18 HydrophobicContact CG-CG2 4.33Å; P15-V18 PolarHBondContact O-N 3.01Å
16A85.4Confident85.3Confident19 Ų1979.6 Ų79.616%0.15746%0.459CS..THydrogen-bonded Turntrans-69.3-15.1176.700000112.4P9 I11 L14 V18 L19 I20P9-A16 HydrophobicContact CB-CB 4.2Å; P9-A16 HydrophobicContact CG-CB 4.27Å; P9-A16 WeakPolarHBondContact O-CB 3.49Å; P9-A16 PolarHBondContact O-N 3.47Å; I11-A16 HydrophobicContact CD1-CB 3.84Å; I11-A16 HydrophobicContact CG1-CB 3.95Å; L14-A16 PolarHBondContact O-N 2.98Å; A16-V18 PolarHBondContact O-N 3.41Å; A16-L19 PolarHBondContact O-N 2.99Å; A16-L19 VanDerWaalsContact O-N 3.11Å; A16-I20 PolarHBondContact O-N 3.1Å
17A84.9Confident85.7Confident21 Ų2182.1 Ų82.117%0.17447%0.474CS..Hα-helixtrans-54.1-33.8174.400000113.1P15 L19 I20 I21 F89P15-A17 PolarHBondContact O-N 3.25Å; A17-L19 VanDerWaalsContact C-N 3.35Å; A17-L19 PolarHBondContact O-N 3.28Å; A17-I20 PolarHBondContact O-N 2.77Å; A17-I21 VanDerWaalsContact O-CG1 3.28Å; A17-I21 WeakPolarHBondContact O-CG1 2.93Å; A17-I21 PolarHBondContact O-N 2.94Å; A17-F89 HydrophobicContact CB-CE1 4.36Å
18V84.8Confident85.9Confident83 Ų8379 Ų7950%0.50346%0.457SS..Hα-helixtrans-63.3-42.3178.8-179.60000111.2P15 A16 I20 I21 L22P15-V18 HydrophobicContact CG-CG2 4.33Å; P15-V18 PolarHBondContact O-N 3.01Å; A16-V18 PolarHBondContact O-N 3.41Å; V18-I20 VanDerWaalsContact C-N 3.31Å; V18-I20 PolarHBondContact O-N 3.2Å; V18-I21 PolarHBondContact O-N 2.95Å; V18-L22 HydrophobicContact CG1-CD1 4.17Å; V18-L22 WeakPolarHBondContact O-CG 3.26Å; V18-L22 PolarHBondContact O-N 3.04Å; V18-L22 VanDerWaalsContact O-N 3.11Å
19L85.7Confident86.1Confident127 Ų12779.1 Ų79.167%0.66545%0.454SS*.Hα-helixtrans-65.5-38.6178.8-167.5148.3000111.1A16 A17 L22 F23A16-L19 PolarHBondContact O-N 2.99Å; A16-L19 VanDerWaalsContact O-N 3.11Å; A17-L19 VanDerWaalsContact C-N 3.35Å; A17-L19 PolarHBondContact O-N 3.28Å; L19-L22 PolarHBondContact O-N 3.43Å; L19-F23 PolarHBondContact O-N 3.45Å
20I87.2Confident86.3Confident50 Ų5083.8 Ų83.826%0.25648%0.482SS..Hα-helixtrans-66.3-40.7177.5-59.9169.8000111P9 A16 A17 V18 L22 F23 P24 F89P9-I20 HydrophobicContact CG-CD1 3.65Å; A16-I20 PolarHBondContact O-N 3.1Å; A17-I20 PolarHBondContact O-N 2.77Å; V18-I20 VanDerWaalsContact C-N 3.31Å; V18-I20 PolarHBondContact O-N 3.2Å; I20-L22 VanDerWaalsContact C-N 3.28Å; I20-L22 PolarHBondContact O-N 3.38Å; I20-F23 WeakPolarHBondContact O-CB 3.36Å; I20-F23 PolarHBondContact O-N 3.21Å; I20-P24 WeakPolarHBondContact O-CD 3.13Å; I20-F89 HydrophobicContact CD1-CB 4.02Å; I20-F89 HydrophobicContact CD1-CD1 3.83Å; I20-F89 HydrophobicContact CD1-CG 4.31Å; I20-F89 HydrophobicContact CG2-CD1 4.46Å; I20-F89 WeakPolarHBondContact CG2-O 3.31Å
21I87.4Confident86.3Confident51 Ų5180.8 Ų80.826%0.26247%0.465SS..Hα-helixtrans-65.5-32176.8-68.6163.6000111.8A17 V18 F23 P24 F75 P91 M97A17-I21 VanDerWaalsContact O-CG1 3.28Å; A17-I21 WeakPolarHBondContact O-CG1 2.93Å; A17-I21 PolarHBondContact O-N 2.94Å; V18-I21 PolarHBondContact O-N 2.95Å; I21-F23 VanDerWaalsContact C-N 3.34Å; I21-P24 WeakPolarHBondContact O-CD 3.4Å; I21-F75 HydrophobicContact CG2-CZ 4.35Å; I21-P91 HydrophobicContact CD1-CB 4.29Å; I21-P91 HydrophobicContact CG1-CB 3.72Å; I21-P91 HydrophobicContact CG1-CG 4.07Å; I21-M97 HydrophobicContact CD1-SD 4.37Å; I21-M97 HydrophobicContact CG2-CE 4.35Å
22L86.8Confident86.3Confident117 Ų11785.7 Ų85.761%0.61348%0.482SS*.Hα-helixtrans-81.3-10.6178.8-71.7171.7000114V18 L19 I20 P25V18-L22 HydrophobicContact CG1-CD1 4.17Å; V18-L22 WeakPolarHBondContact O-CG 3.26Å; V18-L22 PolarHBondContact O-N 3.04Å; V18-L22 VanDerWaalsContact O-N 3.11Å; L19-L22 PolarHBondContact O-N 3.43Å; I20-L22 VanDerWaalsContact C-N 3.28Å; I20-L22 PolarHBondContact O-N 3.38Å; L22-P25 WeakPolarHBondContact O-CD 3.47Å
23F88.4Confident86.4Confident96 Ų9686 Ų8642%0.42147%0.473SS..Hα-helixtrans-71.2-42.4-176.6-169.2-94000115L19 I20 I21 L26 L27 L82L19-F23 PolarHBondContact O-N 3.45Å; I20-F23 WeakPolarHBondContact O-CB 3.36Å; I20-F23 PolarHBondContact O-N 3.21Å; I21-F23 VanDerWaalsContact C-N 3.34Å; F23-L26 VanDerWaalsContact O-CB 3.31Å; F23-L26 WeakPolarHBondContact O-CB 3.31Å; F23-L26 PolarHBondContact O-N 3.44Å; F23-L26 VanDerWaalsContact O-N 3.08Å; F23-L27 HydrophobicContact CD1-CD1 4.35Å; F23-L27 HydrophobicContact CE1-CD1 4.08Å; F23-L27 HydrophobicContact CE1-CD2 4.15Å; F23-L27 HydrophobicContact CE1-CG 4.18Å; F23-L27 HydrophobicContact CZ-CD2 4.49Å; F23-L82 HydrophobicContact CD1-CD2 3.32Å; F23-L82 HydrophobicContact CE1-CD2 3.59Å
24P88.4Confident86.2Confident4 Ų491.2 Ų91.23%0.02648%0.483CS..Hα-helixtrans-57.8-41.9-179-16.323.6000115.2I20 I21 L26 L27 T78 T79I20-P24 WeakPolarHBondContact O-CD 3.13Å; I21-P24 WeakPolarHBondContact O-CD 3.4Å; P24-L26 PolarHBondContact O-N 3.42Å; P24-L27 WeakPolarHBondContact O-CB 3.45Å; P24-L27 PolarHBondContact O-N 3.3Å; P24-L27 VanDerWaalsContact O-N 3.08Å; P24-T78 WeakPolarHBondContact CB-OG1 3.5Å; P24-T79 HydrophobicContact CB-CG2 4.3Å; P24-T79 HydrophobicContact CG-CG2 3.56Å
25P84.8Confident86.4Confident72 Ų7292.6 Ų92.647%0.46849%0.49SS..Hα-helixtrans-55.8-33.1173.9-2733.2000114.1L22 L27 I28L22-P25 WeakPolarHBondContact O-CD 3.47Å; P25-L27 PolarHBondContact O-N 3.02Å; P25-I28 PolarHBondContact O-N 3.12Å
26L88.3Confident86.6Confident134 Ų13489.9 Ų89.970%0.70247%0.471SS*.Hα-helixtrans-67.3-24.9179.7-172.365.5000112.6F23 P24 I28F23-L26 VanDerWaalsContact O-CB 3.31Å; F23-L26 WeakPolarHBondContact O-CB 3.31Å; F23-L26 PolarHBondContact O-N 3.44Å; F23-L26 VanDerWaalsContact O-N 3.08Å; P24-L26 PolarHBondContact O-N 3.42Å; L26-I28 PolarHBondContact O-N 3.12Å
27L87.8Confident86.8Confident77 Ų7794.6 Ų94.640%0.40349%0.493SS..THydrogen-bonded Turntrans-75.8-6.3178.7-64.7174.4000113.8F23 P24 P25 P29 Q43 L82F23-L27 HydrophobicContact CD1-CD1 4.35Å; F23-L27 HydrophobicContact CE1-CD1 4.08Å; F23-L27 HydrophobicContact CE1-CD2 4.15Å; F23-L27 HydrophobicContact CE1-CG 4.18Å; F23-L27 HydrophobicContact CZ-CD2 4.49Å; P24-L27 WeakPolarHBondContact O-CB 3.45Å; P24-L27 PolarHBondContact O-N 3.3Å; P24-L27 VanDerWaalsContact O-N 3.08Å; P25-L27 PolarHBondContact O-N 3.02Å; L27-P29 WeakPolarHBondContact O-CD 3.24Å; L27-Q43 PolarHBondContact O-NE2 3.3Å; L27-L82 HydrophobicContact CD1-CD1 3.4Å; L27-L82 VanDerWaalsContact CD1-CD1 3.4Å; L27-L82 HydrophobicContact CD1-CD2 3.86Å; L27-L82 HydrophobicContact CD1-CG 4.14Å
28I87.8Confident87.1Confident54 Ų54103.8 Ų103.828%0.27752%0.523SS..SBendtrans-109.880.3-178.1-54.4159.4000108.3P25 L26 I74P25-I28 PolarHBondContact O-N 3.12Å; L26-I28 PolarHBondContact O-N 3.12Å; I28-I74 HydrophobicContact CD1-CG2 3.35Å; I28-I74 HydrophobicContact CG1-CG2 4.42Å
29P86.7Confident87.3Confident56 Ų56104.1 Ų104.136%0.36452%0.522SS..  trans-68.7135.9-179.827.6-34.1000111.1L27 L39 I40L27-P29 WeakPolarHBondContact O-CD 3.24Å; P29-L39 HydrophobicContact CG-CD2 3.79Å; P29-I40 HydrophobicContact CB-CD1 4.44Å; P29-I40 HydrophobicContact CG-CD1 4.39Å; P29-I40 HydrophobicContact CG-CG1 4.01Å
30T87Confident87.6Confident136 Ų13698.9 Ų98.983%0.83450%0.495SS*.  trans-98.5134.4170.959.70000110.3
31S87.6Confident87.8Confident37 Ų3799.5 Ų99.526%0.25950%0.501SS..  trans-112.8145171.7169.70000110.9Y33 N36S31-Y33 PolarHBondContact OG-N 3.48Å; S31-Y33 VanDerWaalsContact OG-N 3.1Å; S31-N36 WeakPolarHBondContact CB-OD1 3.28Å; S31-N36 PolarHBondContact OG-OD1 3.2Å
32K85.8Confident88Confident213 Ų213101.2 Ų101.293%0.92651%0.513SS*.  trans-87.8-12.5174.1-62.6-178.3-177.8178.20112.9
33Y86.8Confident88.2Confident183 Ų18397.7 Ų97.772%0.71849%0.494SS*.SBendtrans-80.8152.8-175.9-60.7-74000112S31 N36S31-Y33 PolarHBondContact OG-N 3.48Å; S31-Y33 VanDerWaalsContact OG-N 3.1Å; Y33-N36 PolarHBondContact O-OD1 3.32Å
34L80.2Confident88.3Confident179 Ų17997.8 Ų97.894%0.93750%0.496SS*.SBendtrans-71.2-40.3176.3-17274.3000111.5
35I87.3Confident88.5Confident157 Ų157105.9 Ų105.981%0.80553%0.526SS*.SBendtrans-99.9112.3174.7-58.9171.4000107.3
36N89.9Confident88.8Confident22 Ų22107 Ų10712%0.11853%0.527CS..  trans-103.1164.6-174.4-76.3-20.4000112.6S31 Y33 I40 T41 Q44S31-N36 WeakPolarHBondContact CB-OD1 3.28Å; S31-N36 PolarHBondContact OG-OD1 3.2Å; Y33-N36 PolarHBondContact O-OD1 3.32Å; N36-I40 HydrophobicContact CB-CB 3.95Å; N36-I40 HydrophobicContact CB-CG2 3.79Å; N36-I40 WeakPolarHBondContact ND2-CG2 3.37Å; N36-T41 HydrophobicContact CB-CG2 4Å; N36-Q44 PolarHBondContact ND2-NE2 3.34Å; N36-Q44 VanDerWaalsContact ND2-NE2 3.14Å
37N90.3Very high88.9Confident118 Ų118103.3 Ų103.363%0.63151%0.508SS*.  trans-62.6153.1171.6-166.32.5000110.8L39 I40 T41N37-L39 PolarHBondContact O-N 3.39Å; N37-L39 VanDerWaalsContact O-N 3.11Å; N37-I40 PolarHBondContact O-N 3.13Å; N37-T41 PolarHBondContact O-N 3.36Å
38R89.9Confident89.1Confident213 Ų213106.8 Ų106.880%0.80452%0.52SS*.Hα-helixtrans-51.6-37.3-178.1-64.2-177.5-178.9179.70.9113.1T41 T42R38-T41 WeakPolarHBondContact CA-OG1 3.42Å; R38-T41 PolarHBondContact O-OG1 2.91Å; R38-T42 WeakPolarHBondContact O-CG2 3.21Å; R38-T42 PolarHBondContact O-N 3.27Å; R38-T42 VanDerWaalsContact O-N 3.07Å; R38-T42 PolarHBondContact O-OG1 3.46Å
39L89.6Confident89.2Confident90 Ų90107.6 Ų107.647%0.47152%0.524SS..Hα-helixtrans-67.2-41.4178.3-172.5152.3000111.9P29 N37 T42 Q43P29-L39 HydrophobicContact CG-CD2 3.79Å; N37-L39 PolarHBondContact O-N 3.39Å; N37-L39 VanDerWaalsContact O-N 3.11Å; L39-T42 PolarHBondContact O-OG1 3.27Å; L39-Q43 VanDerWaalsContact CD2-CD 3.45Å; L39-Q43 HydrophobicContact CD2-CG 4.27Å; L39-Q43 WeakPolarHBondContact O-CB 3.22Å; L39-Q43 VanDerWaalsContact O-CG 3.24Å; L39-Q43 WeakPolarHBondContact O-CG 3.32Å; L39-Q43 PolarHBondContact O-N 3.45Å
40I91.6Very high89.3Confident18 Ų18106 Ų1069%0.09251%0.513CS..Hα-helixtrans-72.5-35.5179.4-61.7173.9000110P29 N36 N37 Q43 Q44P29-I40 HydrophobicContact CB-CD1 4.44Å; P29-I40 HydrophobicContact CG-CD1 4.39Å; P29-I40 HydrophobicContact CG-CG1 4.01Å; N36-I40 HydrophobicContact CB-CB 3.95Å; N36-I40 HydrophobicContact CB-CG2 3.79Å; N36-I40 WeakPolarHBondContact ND2-CG2 3.37Å; N37-I40 PolarHBondContact O-N 3.13Å; I40-Q43 PolarHBondContact O-N 3.35Å; I40-Q44 HydrophobicContact CG2-CG 4.26Å; I40-Q44 WeakPolarHBondContact O-CB 3.39Å; I40-Q44 VanDerWaalsContact O-CG 3.23Å; I40-Q44 WeakPolarHBondContact O-CG 3.37Å; I40-Q44 PolarHBondContact O-N 2.84Å
41T91.7Very high89.4Confident63 Ų63101.1 Ų101.139%0.38749%0.485SS..Hα-helixtrans-67.6-40.3176.959.60000112.1N36 N37 R38 Q44 W45N36-T41 HydrophobicContact CB-CG2 4Å; N37-T41 PolarHBondContact O-N 3.36Å; R38-T41 WeakPolarHBondContact CA-OG1 3.42Å; R38-T41 PolarHBondContact O-OG1 2.91Å; T41-Q44 PolarHBondContact O-N 3.47Å; T41-W45 VanDerWaalsContact O-CB 3.31Å; T41-W45 WeakPolarHBondContact O-CB 3.49Å; T41-W45 PolarHBondContact O-N 3.1Å
42T91.1Very high89.4Confident86 Ų86106.4 Ų106.453%0.52850%0.503SS..Hα-helixtrans-66.8-39.8174.356.70000111.7R38 L39 W45 L46R38-T42 WeakPolarHBondContact O-CG2 3.21Å; R38-T42 PolarHBondContact O-N 3.27Å; R38-T42 VanDerWaalsContact O-N 3.07Å; R38-T42 PolarHBondContact O-OG1 3.46Å; L39-T42 PolarHBondContact O-OG1 3.27Å; T42-W45 PolarHBondContact O-N 2.86Å; T42-L46 WeakPolarHBondContact O-CB 3.34Å; T42-L46 PolarHBondContact O-N 2.96Å
43Q91.1Very high89.4Confident44 Ų44102.1 Ų102.121%0.20649%0.486CS..Hα-helixtrans-60.2-50.3173.1-76.3176.7-2000111.9L27 L39 I40 W45 L46 I47L27-Q43 PolarHBondContact O-NE2 3.3Å; L39-Q43 VanDerWaalsContact CD2-CD 3.45Å; L39-Q43 HydrophobicContact CD2-CG 4.27Å; L39-Q43 WeakPolarHBondContact O-CB 3.22Å; L39-Q43 VanDerWaalsContact O-CG 3.24Å; L39-Q43 WeakPolarHBondContact O-CG 3.32Å; L39-Q43 PolarHBondContact O-N 3.45Å; I40-Q43 PolarHBondContact O-N 3.35Å; Q43-W45 VanDerWaalsContact C-N 3.29Å; Q43-W45 PolarHBondContact O-N 2.87Å; Q43-L46 PolarHBondContact O-N 3.42Å; Q43-I47 VanDerWaalsContact O-CG1 3.24Å; Q43-I47 WeakPolarHBondContact O-CG1 3.4Å; Q43-I47 PolarHBondContact O-N 3.43Å
44Q90.7Very high89.3Confident97 Ų9794 Ų9445%0.45346%0.455SS..Hα-helixtrans-61.1-38.8178.3-74.6175.7-16.600112.1N36 I40 T41 K48N36-Q44 PolarHBondContact ND2-NE2 3.34Å; N36-Q44 VanDerWaalsContact ND2-NE2 3.14Å; I40-Q44 HydrophobicContact CG2-CG 4.26Å; I40-Q44 WeakPolarHBondContact O-CB 3.39Å; I40-Q44 VanDerWaalsContact O-CG 3.23Å; I40-Q44 WeakPolarHBondContact O-CG 3.37Å; I40-Q44 PolarHBondContact O-N 2.84Å; T41-Q44 PolarHBondContact O-N 3.47Å; Q44-K48 VanDerWaalsContact O-CB 3.32Å; Q44-K48 WeakPolarHBondContact O-CB 3.33Å; Q44-K48 PolarHBondContact O-N 3.01Å
45W92.4Very high89.4Confident174 Ų17486.5 Ų86.566%0.65942%0.416SS*.Hα-helixtrans-63.3-45.4175.1-179.283.5000111.9T41 T42 Q43 K48 L49T41-W45 VanDerWaalsContact O-CB 3.31Å; T41-W45 WeakPolarHBondContact O-CB 3.49Å; T41-W45 PolarHBondContact O-N 3.1Å; T42-W45 PolarHBondContact O-N 2.86Å; Q43-W45 VanDerWaalsContact C-N 3.29Å; Q43-W45 PolarHBondContact O-N 2.87Å; W45-K48 PolarHBondContact O-N 3Å; W45-L49 HydrophobicContact CD2-CD1 3.73Å; W45-L49 HydrophobicContact CD2-CG 4.39Å; W45-L49 HydrophobicContact CE3-CD1 3.74Å; W45-L49 HydrophobicContact CH2-CD1 3.38Å; W45-L49 HydrophobicContact CZ2-CD1 3.37Å; W45-L49 HydrophobicContact CZ2-CG 4.43Å; W45-L49 HydrophobicContact CZ3-CD1 3.56Å; W45-L49 WeakPolarHBondContact O-CG 3.39Å; W45-L49 PolarHBondContact O-N 3.21Å
46L90.7Very high89.2Confident95 Ų9583.8 Ų83.850%0.49741%0.406SS..Hα-helixtrans-62.3-47.3177.8-164.8151.3000111.3T42 Q43 K48 L49 T50T42-L46 WeakPolarHBondContact O-CB 3.34Å; T42-L46 PolarHBondContact O-N 2.96Å; Q43-L46 PolarHBondContact O-N 3.42Å; L46-K48 VanDerWaalsContact C-N 3.31Å; L46-K48 PolarHBondContact O-N 3.13Å; L46-L49 PolarHBondContact O-N 3.36Å; L46-T50 HydrophobicContact CD2-CG2 4.03Å; L46-T50 PolarHBondContact O-N 3.4Å; L46-T50 PolarHBondContact O-OG1 3.36Å
47I91.3Very high88.5Confident57 Ų5788.8 Ų88.829%0.29243%0.431SS..Hα-helixtrans-57.9-44.4177.4-67.5171.3000111.1Q43 L49 T50 S51 V70 I74Q43-I47 VanDerWaalsContact O-CG1 3.24Å; Q43-I47 WeakPolarHBondContact O-CG1 3.4Å; Q43-I47 PolarHBondContact O-N 3.43Å; I47-L49 VanDerWaalsContact C-N 3.35Å; I47-L49 PolarHBondContact O-N 2.98Å; I47-T50 WeakPolarHBondContact CA-OG1 3.35Å; I47-T50 PolarHBondContact O-N 3.16Å; I47-T50 PolarHBondContact O-OG1 3.49Å; I47-S51 VanDerWaalsContact O-CB 3.31Å; I47-S51 WeakPolarHBondContact O-CB 3.35Å; I47-S51 PolarHBondContact O-N 3.11Å; I47-S51 PolarHBondContact O-OG 3.27Å; I47-V70 HydrophobicContact CG2-CG1 3.85Å; I47-I74 HydrophobicContact CD1-CD1 4.01Å; I47-I74 HydrophobicContact CG1-CD1 3.71Å
48K91.1Very high88.1Confident151 Ų15183.4 Ų83.466%0.65740%0.402SS*.Hα-helixtrans-64.4-38.6179.3-176.4178.2-179.6178.90112.1Q44 W45 L46 S51 K52Q44-K48 VanDerWaalsContact O-CB 3.32Å; Q44-K48 WeakPolarHBondContact O-CB 3.33Å; Q44-K48 PolarHBondContact O-N 3.01Å; W45-K48 PolarHBondContact O-N 3Å; L46-K48 VanDerWaalsContact C-N 3.31Å; L46-K48 PolarHBondContact O-N 3.13Å; K48-S51 PolarHBondContact O-OG 2.93Å; K48-S51 VanDerWaalsContact O-OG 3.12Å; K48-K52 VanDerWaalsContact O-CB 3.24Å; K48-K52 WeakPolarHBondContact O-CB 3.25Å; K48-K52 PolarHBondContact O-N 3.29Å
49L91Very high87.5Confident70 Ų7078.5 Ų78.537%0.36639%0.392SS..Hα-helixtrans-66.8-50.3176.7-74.7176.6000111.5W45 L46 I47 S51 K52 Q53W45-L49 HydrophobicContact CD2-CD1 3.73Å; W45-L49 HydrophobicContact CD2-CG 4.39Å; W45-L49 HydrophobicContact CE3-CD1 3.74Å; W45-L49 HydrophobicContact CH2-CD1 3.38Å; W45-L49 HydrophobicContact CZ2-CD1 3.37Å; W45-L49 HydrophobicContact CZ2-CG 4.43Å; W45-L49 HydrophobicContact CZ3-CD1 3.56Å; W45-L49 WeakPolarHBondContact O-CG 3.39Å; W45-L49 PolarHBondContact O-N 3.21Å; L46-L49 PolarHBondContact O-N 3.36Å; I47-L49 VanDerWaalsContact C-N 3.35Å; I47-L49 PolarHBondContact O-N 2.98Å; L49-S51 VanDerWaalsContact C-N 3.33Å; L49-S51 PolarHBondContact O-N 3.44Å; L49-K52 PolarHBondContact O-N 3.16Å; L49-Q53 WeakPolarHBondContact O-CG 3.3Å; L49-Q53 PolarHBondContact O-N 2.78Å
50T87.9Confident86.9Confident23 Ų2379.8 Ų79.814%0.14140%0.403CS..Hα-helixtrans-61.8-42.9-180510000111.3L46 I47 K52 Q53 M54L46-T50 HydrophobicContact CD2-CG2 4.03Å; L46-T50 PolarHBondContact O-N 3.4Å; L46-T50 PolarHBondContact O-OG1 3.36Å; I47-T50 WeakPolarHBondContact CA-OG1 3.35Å; I47-T50 PolarHBondContact O-N 3.16Å; I47-T50 PolarHBondContact O-OG1 3.49Å; T50-K52 PolarHBondContact O-N 3.32Å; T50-Q53 PolarHBondContact O-N 2.71Å; T50-M54 WeakPolarHBondContact O-CG 3.49Å; T50-M54 PolarHBondContact O-N 3.28Å
51S88.7Confident86.3Confident34 Ų3484.8 Ų84.824%0.23842%0.424CS..Hα-helixtrans-65.4-40.617872.90000111.3I47 K48 L49 M55I47-S51 VanDerWaalsContact O-CB 3.31Å; I47-S51 WeakPolarHBondContact O-CB 3.35Å; I47-S51 PolarHBondContact O-N 3.11Å; I47-S51 PolarHBondContact O-OG 3.27Å; K48-S51 PolarHBondContact O-OG 2.93Å; K48-S51 VanDerWaalsContact O-OG 3.12Å; L49-S51 VanDerWaalsContact C-N 3.33Å; L49-S51 PolarHBondContact O-N 3.44Å; S51-M55 WeakPolarHBondContact O-CB 3.41Å; S51-M55 WeakPolarHBondContact O-CG 3.2Å; S51-M55 PolarHBondContact O-N 2.96Å
52K88.6Confident85.6Confident148 Ų14881.8 Ų81.864%0.64341%0.406SS*.Hα-helixtrans-63.1-44.9178-173.4179.5179-174.80111.3K48 L49 T50 T56K48-K52 VanDerWaalsContact O-CB 3.24Å; K48-K52 WeakPolarHBondContact O-CB 3.25Å; K48-K52 PolarHBondContact O-N 3.29Å; L49-K52 PolarHBondContact O-N 3.16Å; T50-K52 PolarHBondContact O-N 3.32Å; K52-T56 WeakPolarHBondContact O-CG2 3.41Å; K52-T56 PolarHBondContact O-N 3.17Å
53Q86Confident85.1Confident122 Ų12284.3 Ų84.357%0.5741%0.406SS*.Hα-helixtrans-67.6-40.5-179.4-73.6-178.1-2700113L49 T50 T56L49-Q53 WeakPolarHBondContact O-CG 3.3Å; L49-Q53 PolarHBondContact O-N 2.78Å; T50-Q53 PolarHBondContact O-N 2.71Å; Q53-T56 PolarHBondContact O-OG1 2.84Å
54M83.6Confident84.9Confident13 Ų1387 Ų876%0.06443%0.425CS..Hα-helixtrans-71.6-36.8177.9-69.9-176.9170.200112.4T50 T56 H58 L69 I73 T212T50-M54 WeakPolarHBondContact O-CG 3.49Å; T50-M54 PolarHBondContact O-N 3.28Å; M54-T56 PolarHBondContact O-N 3.43Å; M54-H58 PolarHBondContact O-ND1 3.38Å; M54-L69 HydrophobicContact SD-CB 4.24Å; M54-I73 HydrophobicContact CE-CB 4.39Å; M54-I73 HydrophobicContact CE-CD1 3.68Å; M54-T212 WeakPolarHBondContact CE-OG1 3.31Å
55M82.4Confident84.6Confident21 Ų2185.1 Ų85.110%0.10341%0.414CS..Hα-helixtrans-81.2-12.3-174.5-65.7-58.5122.200114.4S51 M57 H58 R63 S66 L69S51-M55 WeakPolarHBondContact O-CB 3.41Å; S51-M55 WeakPolarHBondContact O-CG 3.2Å; S51-M55 PolarHBondContact O-N 2.96Å; M55-M57 PolarHBondContact O-N 3.19Å; M55-H58 PolarHBondContact O-N 3.46Å; M55-R63 HydrophobicContact SD-CB 4.26Å; M55-R63 HydrophobicContact SD-CG 3.95Å; M55-S66 VanDerWaalsContact CE-CA 3.43Å; M55-S66 WeakPolarHBondContact SD-CB 3.2Å; M55-L69 HydrophobicContact CE-CD1 3.99Å
56T83.8Confident84.3Confident100 Ų10078.2 Ų78.261%0.61339%0.392SS*.THydrogen-bonded Turntrans-64.2-30.9173.954.30000111.9K52 Q53 M54K52-T56 WeakPolarHBondContact O-CG2 3.41Å; K52-T56 PolarHBondContact O-N 3.17Å; Q53-T56 PolarHBondContact O-OG1 2.84Å; M54-T56 PolarHBondContact O-N 3.43Å
57M75.2Confident84.3Confident127 Ų12780.9 Ų80.963%0.62641%0.406SS*.THydrogen-bonded Turntrans-83.1-10.7-178.6-54.3-162.981.200113.5M55 H220M55-M57 PolarHBondContact O-N 3.19Å; M57-H220 PolarHBondContact O-CE1 2.93Å; M57-H220 PolarHBondContact O-ND1 3.37Å
58H80.9Confident84.3Confident6 Ų680.6 Ų80.63%0.02841%0.405CS..  trans-109.2138.5-168.9-71.177.2000113.8M54 M55 R63 S216M54-H58 PolarHBondContact O-ND1 3.38Å; M55-H58 PolarHBondContact O-N 3.46Å; H58-R63 HydrophobicContact CB-CG 4.39Å; H58-R63 PolarHBondContact O-NE 3.28Å; H58-S216 PolarHBondContact CE1-O 3.21Å; H58-S216 PolarHBondContact NE2-O 2.96Å
59N77.8Confident84.2Confident110 Ų11073.5 Ų73.559%0.58837%0.373SS*.  trans-70170.1168-84.4-20.1000112.2K61 G62 R63N59-K61 VanDerWaalsContact C-N 3.27Å; N59-K61 PolarHBondContact O-N 3.1Å; N59-K61 VanDerWaalsContact O-N 3.16Å; N59-G62 PolarHBondContact O-N 3.39Å; N59-R63 PolarHBondContact O-N 2.99Å
60T78.5Confident84.2Confident116 Ų11670.9 Ų70.971%0.71236%0.361SS*.THydrogen-bonded Turntrans-53.5-37.8-175.253.60000114.1
61K77Confident84.3Confident124 Ų12473 Ų7354%0.53938%0.376SS..THydrogen-bonded Turntrans-67.8-44.2174.7-69.3-177.5-178.3175.80112.3N59 R63 T64N59-K61 VanDerWaalsContact C-N 3.27Å; N59-K61 PolarHBondContact O-N 3.1Å; N59-K61 VanDerWaalsContact O-N 3.16Å; K61-R63 VanDerWaalsContact C-N 3.28Å; K61-R63 PolarHBondContact O-N 2.93Å; K61-T64 WeakPolarHBondContact O-CB 3.02Å; K61-T64 PolarHBondContact O-N 2.88Å; K61-T64 PolarHBondContact O-OG1 3.34Å
62G76.9Confident84.4Confident0 Ų072.1 Ų72.10%037%0.369CS..G310 helixtrans-64.4-31177.600000113.1N59 T64 W65N59-G62 PolarHBondContact O-N 3.39Å; G62-T64 PolarHBondContact O-N 3.35Å; G62-T64 VanDerWaalsContact O-N 3.15Å; G62-W65 PolarHBondContact O-N 3.07Å; G62-W65 VanDerWaalsContact O-N 3.07Å
63R82.3Confident84.5Confident139 Ų13965.9 Ų65.953%0.52534%0.342SS..G310 helixtrans-62.5-20.7176.1-70.5-179.6-175.2-176.40.4114.2M55 H58 N59 K61 W65 S66M55-R63 HydrophobicContact SD-CB 4.26Å; M55-R63 HydrophobicContact SD-CG 3.95Å; H58-R63 HydrophobicContact CB-CG 4.39Å; H58-R63 PolarHBondContact O-NE 3.28Å; N59-R63 PolarHBondContact O-N 2.99Å; K61-R63 VanDerWaalsContact C-N 3.28Å; K61-R63 PolarHBondContact O-N 2.93Å; R63-W65 PolarHBondContact O-N 3.34Å; R63-S66 WeakPolarHBondContact O-CB 3.23Å; R63-S66 PolarHBondContact O-N 2.64Å; R63-S66 VanDerWaalsContact O-N 3.11Å
64T85.3Confident84.8Confident101 Ų10161.6 Ų61.662%0.6232%0.323SS*.G310 helixtrans-62.8-26.6174.561.50000112.5K61 G62 S66K61-T64 WeakPolarHBondContact O-CB 3.02Å; K61-T64 PolarHBondContact O-N 2.88Å; K61-T64 PolarHBondContact O-OG1 3.34Å; G62-T64 PolarHBondContact O-N 3.35Å; G62-T64 VanDerWaalsContact O-N 3.15Å; T64-S66 VanDerWaalsContact C-N 3.28Å; T64-S66 PolarHBondContact O-N 3.17Å
65W85.4Confident85.1Confident56 Ų5663.4 Ų63.421%0.21233%0.33CS..G310 helixtrans-85.42.2177.9-70.969.5000113.7G62 R63 L67 M68 L69 M112 L219G62-W65 PolarHBondContact O-N 3.07Å; G62-W65 VanDerWaalsContact O-N 3.07Å; R63-W65 PolarHBondContact O-N 3.34Å; W65-L67 VanDerWaalsContact C-N 3.32Å; W65-L67 PolarHBondContact O-N 3.46Å; W65-M68 HydrophobicContact CD2-CE 4.47Å; W65-M68 HydrophobicContact CE3-CE 3.23Å; W65-M68 HydrophobicContact CE3-SD 3.43Å; W65-M68 HydrophobicContact CZ3-CE 3.52Å; W65-M68 HydrophobicContact CZ3-SD 3.36Å; W65-M68 WeakPolarHBondContact CZ3-SD 3.44Å; W65-M68 PolarHBondContact O-N 3.02Å; W65-M68 VanDerWaalsContact O-N 3.11Å; W65-L69 PolarHBondContact O-N 2.79Å; W65-M112 HydrophobicContact CZ2-SD 3.77Å; W65-M112 PolarHBondContact NE1-SD 3.06Å; W65-L219 HydrophobicContact CB-CD2 3.48Å; W65-L219 VanDerWaalsContact CB-CD2 3.48Å; W65-L219 HydrophobicContact CD2-CD1 4.02Å; W65-L219 HydrophobicContact CD2-CD2 4.29Å; W65-L219 HydrophobicContact CG-CD1 4.06Å; W65-L219 HydrophobicContact CG-CD2 3.64Å
66S86.6Confident85.4Confident29 Ų2962.4 Ų62.420%0.20333%0.325CS..Hα-helixtrans-54.6-46.9-177.8-1770000112.9M55 R63 T64 M68 L69 V70M55-S66 VanDerWaalsContact CE-CA 3.43Å; M55-S66 WeakPolarHBondContact SD-CB 3.2Å; R63-S66 WeakPolarHBondContact O-CB 3.23Å; R63-S66 PolarHBondContact O-N 2.64Å; R63-S66 VanDerWaalsContact O-N 3.11Å; T64-S66 VanDerWaalsContact C-N 3.28Å; T64-S66 PolarHBondContact O-N 3.17Å; S66-M68 VanDerWaalsContact C-N 3.27Å; S66-M68 PolarHBondContact O-N 2.99Å; S66-L69 PolarHBondContact O-N 3.35Å; S66-V70 WeakPolarHBondContact O-CB 3.31Å; S66-V70 VanDerWaalsContact O-CG2 3.25Å; S66-V70 WeakPolarHBondContact O-CG2 3.17Å; S66-V70 PolarHBondContact O-N 3.49Å
67L90.1Very high85.7Confident151 Ų15159.1 Ų59.179%0.79131%0.308SS*.Hα-helixtrans-57.1-45.2179.6-170.790.1000111.1W65 S71W65-L67 VanDerWaalsContact C-N 3.32Å; W65-L67 PolarHBondContact O-N 3.46Å; L67-S71 WeakPolarHBondContact O-CB 3.36Å; L67-S71 PolarHBondContact O-N 3.46Å; L67-S71 PolarHBondContact O-OG 3.04Å
68M90.6Very high86.5Confident52 Ų5254.4 Ų54.426%0.25629%0.287SS..Hα-helixtrans-66.3-48.7-177.9-169.7-16075.800111.1W65 S66 V70 S71 L72 L105W65-M68 HydrophobicContact CD2-CE 4.47Å; W65-M68 HydrophobicContact CE3-CE 3.23Å; W65-M68 HydrophobicContact CE3-SD 3.43Å; W65-M68 HydrophobicContact CZ3-CE 3.52Å; W65-M68 HydrophobicContact CZ3-SD 3.36Å; W65-M68 WeakPolarHBondContact CZ3-SD 3.44Å; W65-M68 PolarHBondContact O-N 3.02Å; W65-M68 VanDerWaalsContact O-N 3.11Å; S66-M68 VanDerWaalsContact C-N 3.27Å; S66-M68 PolarHBondContact O-N 2.99Å; M68-V70 VanDerWaalsContact C-N 3.32Å; M68-V70 PolarHBondContact O-N 3.38Å; M68-S71 PolarHBondContact O-N 3.16Å; M68-S71 PolarHBondContact O-OG 3.15Å; M68-L72 VanDerWaalsContact O-CB 3.3Å; M68-L72 WeakPolarHBondContact O-CB 3.48Å; M68-L72 PolarHBondContact O-N 3.39Å; M68-L105 HydrophobicContact CE-CD2 3.33Å; M68-L105 HydrophobicContact CG-CD2 4.31Å; M68-L105 HydrophobicContact SD-CD2 3.43Å; M68-L105 WeakPolarHBondContact SD-CD2 3.4Å
69L89.5Confident86.9Confident1 Ų154.3 Ų54.31%0.00529%0.287CS..Hα-helixtrans-60.7-41.1178.8-69.3172.5000112.3M54 M55 W65 S66 L72 I73 V215M54-L69 HydrophobicContact SD-CB 4.24Å; M55-L69 HydrophobicContact CE-CD1 3.99Å; W65-L69 PolarHBondContact O-N 2.79Å; S66-L69 PolarHBondContact O-N 3.35Å; L69-L72 PolarHBondContact O-N 2.68Å; L69-I73 PolarHBondContact O-N 3.19Å; L69-I73 VanDerWaalsContact O-N 3.08Å; L69-V215 HydrophobicContact CD2-CB 4.21Å; L69-V215 HydrophobicContact CD2-CG1 3.81Å
70V91Very high87.5Confident16 Ų1649.1 Ų49.110%0.09726%0.259CS..Hα-helixtrans-68.2-42.1177.1172.70000111.2I47 S66 M68 L72 I73 I74I47-V70 HydrophobicContact CG2-CG1 3.85Å; S66-V70 WeakPolarHBondContact O-CB 3.31Å; S66-V70 VanDerWaalsContact O-CG2 3.25Å; S66-V70 WeakPolarHBondContact O-CG2 3.17Å; S66-V70 PolarHBondContact O-N 3.49Å; M68-V70 VanDerWaalsContact C-N 3.32Å; M68-V70 PolarHBondContact O-N 3.38Å; V70-L72 VanDerWaalsContact C-N 3.29Å; V70-L72 PolarHBondContact O-N 3.26Å; V70-I73 VanDerWaalsContact O-CG2 3.28Å; V70-I73 WeakPolarHBondContact O-CG2 3.43Å; V70-I74 HydrophobicContact CG1-CD1 3.78Å; V70-I74 VanDerWaalsContact O-CD1 3.28Å; V70-I74 WeakPolarHBondContact O-CD1 3.4Å; V70-I74 WeakPolarHBondContact O-CG1 3.23Å; V70-I74 PolarHBondContact O-N 3.1Å
71S91.1Very high88Confident66 Ų6648.2 Ų48.246%0.46225%0.25SC..Hα-helixtrans-63.1-37.8175.970.20000112.2L67 M68 F75L67-S71 WeakPolarHBondContact O-CB 3.36Å; L67-S71 PolarHBondContact O-N 3.46Å; L67-S71 PolarHBondContact O-OG 3.04Å; M68-S71 PolarHBondContact O-N 3.16Å; M68-S71 PolarHBondContact O-OG 3.15Å; S71-F75 VanDerWaalsContact O-CB 3.29Å; S71-F75 WeakPolarHBondContact O-CB 3.34Å; S71-F75 PolarHBondContact O-N 3.5Å
72L90Very high88.6Confident17 Ų1744 Ų449%0.08923%0.233CC..Hα-helixtrans-66.4-47.9-179.3-176.479.4000112M68 L69 V70 I74 F75 I76 L105 F211 T212M68-L72 VanDerWaalsContact O-CB 3.3Å; M68-L72 WeakPolarHBondContact O-CB 3.48Å; M68-L72 PolarHBondContact O-N 3.39Å; L69-L72 PolarHBondContact O-N 2.68Å; V70-L72 VanDerWaalsContact C-N 3.29Å; V70-L72 PolarHBondContact O-N 3.26Å; L72-I74 VanDerWaalsContact C-N 3.3Å; L72-I74 PolarHBondContact O-N 3.38Å; L72-F75 PolarHBondContact O-N 2.91Å; L72-I76 HydrophobicContact CD1-CD1 4.07Å; L72-I76 HydrophobicContact CG-CD1 3.92Å; L72-I76 WeakPolarHBondContact O-CG1 3.44Å; L72-I76 PolarHBondContact O-N 3.03Å; L72-L105 HydrophobicContact CD1-CD1 3.43Å; L72-L105 VanDerWaalsContact CD1-CD1 3.43Å; L72-L105 HydrophobicContact CD2-CD1 3.82Å; L72-L105 HydrophobicContact CG-CD1 4.27Å; L72-F211 HydrophobicContact CD1-CE1 4.15Å; L72-F211 HydrophobicContact CD2-CD1 3.87Å; L72-F211 HydrophobicContact CD2-CE1 3.78Å; L72-F211 HydrophobicContact CG-CD1 4.36Å; L72-F211 HydrophobicContact CG-CE1 4.23Å; L72-T212 HydrophobicContact CB-CG2 4.2Å; L72-T212 HydrophobicContact CD2-CG2 3.57Å; L72-T212 HydrophobicContact CG-CG2 3.86Å
73I90.8Very high89Confident16 Ų1644.1 Ų44.18%0.08223%0.234CC..Hα-helixtrans-63.3-41.2-179.8-168.2170.5000110.8M54 L69 V70 A77 A208 Y209 T212M54-I73 HydrophobicContact CE-CB 4.39Å; M54-I73 HydrophobicContact CE-CD1 3.68Å; L69-I73 PolarHBondContact O-N 3.19Å; L69-I73 VanDerWaalsContact O-N 3.08Å; V70-I73 VanDerWaalsContact O-CG2 3.28Å; V70-I73 WeakPolarHBondContact O-CG2 3.43Å; I73-A77 WeakPolarHBondContact O-CB 3.19Å; I73-A77 PolarHBondContact O-N 3.41Å; I73-A208 HydrophobicContact CG1-CB 4.47Å; I73-Y209 HydrophobicContact CD1-CD2 4.18Å; I73-T212 VanDerWaalsContact CA-CG2 3.49Å; I73-T212 HydrophobicContact CB-CG2 3.48Å; I73-T212 VanDerWaalsContact CB-CG2 3.48Å; I73-T212 HydrophobicContact CG1-CG2 4.07Å
74I91.1Very high89.2Confident33 Ų3339.3 Ų39.317%0.16922%0.218CC..Hα-helixtrans-66.6-43179-63.6165000110.4I28 I47 V70 L72 T78I28-I74 HydrophobicContact CD1-CG2 3.35Å; I28-I74 HydrophobicContact CG1-CG2 4.42Å; I47-I74 HydrophobicContact CD1-CD1 4.01Å; I47-I74 HydrophobicContact CG1-CD1 3.71Å; V70-I74 HydrophobicContact CG1-CD1 3.78Å; V70-I74 VanDerWaalsContact O-CD1 3.28Å; V70-I74 WeakPolarHBondContact O-CD1 3.4Å; V70-I74 WeakPolarHBondContact O-CG1 3.23Å; V70-I74 PolarHBondContact O-N 3.1Å; L72-I74 VanDerWaalsContact C-N 3.3Å; L72-I74 PolarHBondContact O-N 3.38Å; I74-T78 HydrophobicContact CG2-CG2 4.34Å; I74-T78 WeakPolarHBondContact O-CB 3.44Å; I74-T78 VanDerWaalsContact O-CG2 3.26Å; I74-T78 WeakPolarHBondContact O-CG2 3.37Å; I74-T78 PolarHBondContact O-N 3.03Å; I74-T78 PolarHBondContact O-OG1 2.93Å
75F90.4Very high89.2Confident50 Ų5039.2 Ų39.222%0.21921%0.213CC..Hα-helixtrans-60.6-53.6177.9-179.4-103.9000111.7I21 S71 L72 A77 T78 T79 M97 M101I21-F75 HydrophobicContact CG2-CZ 4.35Å; S71-F75 VanDerWaalsContact O-CB 3.29Å; S71-F75 WeakPolarHBondContact O-CB 3.34Å; S71-F75 PolarHBondContact O-N 3.5Å; L72-F75 PolarHBondContact O-N 2.91Å; F75-A77 PolarHBondContact O-N 3.11Å; F75-T78 PolarHBondContact O-N 3.14Å; F75-T78 PolarHBondContact O-OG1 3.1Å; F75-T79 HydrophobicContact CD2-CG2 4.34Å; F75-T79 HydrophobicContact CE1-CG2 4.15Å; F75-T79 HydrophobicContact CE2-CG2 3.95Å; F75-T79 HydrophobicContact CZ-CG2 3.85Å; F75-T79 WeakPolarHBondContact O-CG2 3.42Å; F75-T79 PolarHBondContact O-N 3.22Å; F75-T79 PolarHBondContact O-OG1 3.38Å; F75-T79 VanDerWaalsContact O-OG1 3.06Å; F75-M97 HydrophobicContact CE1-CE 3.93Å; F75-M97 HydrophobicContact CZ-CE 3.92Å; F75-M101 HydrophobicContact CD1-SD 3.89Å; F75-M101 HydrophobicContact CE1-CE 4.42Å; F75-M101 HydrophobicContact CE1-SD 3.56Å; F75-M101 VanDerWaalsContact CE1-SD 3.56Å
76I90.2Very high89Confident0 Ų041.9 Ų41.90%024%0.238CC..Hα-helixtrans-64.6-42.5-177.8-61.5169.8000111L72 T79 N80 L157 A208 F211L72-I76 HydrophobicContact CD1-CD1 4.07Å; L72-I76 HydrophobicContact CG-CD1 3.92Å; L72-I76 WeakPolarHBondContact O-CG1 3.44Å; L72-I76 PolarHBondContact O-N 3.03Å; I76-T79 WeakPolarHBondContact CA-OG1 3.05Å; I76-T79 PolarHBondContact O-OG1 3Å; I76-N80 WeakPolarHBondContact CG2-ND2 2.91Å; I76-N80 VanDerWaalsContact O-CB 3.32Å; I76-N80 WeakPolarHBondContact O-CB 2.85Å; I76-N80 PolarHBondContact O-N 3.42Å; I76-N80 PolarHBondContact O-ND2 2.94Å; I76-N80 PolarHBondContact O-OD1 3.12Å; I76-L157 HydrophobicContact CG2-CD1 3.63Å; I76-A208 HydrophobicContact CB-CB 4.08Å; I76-A208 HydrophobicContact CG2-CB 3.76Å; I76-F211 HydrophobicContact CD1-CB 4.29Å; I76-F211 HydrophobicContact CD1-CD1 3.4Å; I76-F211 HydrophobicContact CD1-CD2 4.29Å; I76-F211 HydrophobicContact CD1-CE1 3.73Å; I76-F211 HydrophobicContact CD1-CG 3.74Å; I76-F211 HydrophobicContact CD1-CZ 4.32Å
77A89.9Confident88.8Confident31 Ų3150.1 Ų50.126%0.25627%0.273SS..Hα-helixtrans-62.8-44.3179.400000111.6I73 F75 L81 A208I73-A77 WeakPolarHBondContact O-CB 3.19Å; I73-A77 PolarHBondContact O-N 3.41Å; F75-A77 PolarHBondContact O-N 3.11Å; A77-L81 VanDerWaalsContact O-CB 3.28Å; A77-L81 WeakPolarHBondContact O-CB 3.32Å; A77-L81 PolarHBondContact O-N 2.96Å; A77-A208 HydrophobicContact CB-CB 3.94Å
78T90.6Very high88.4Confident29 Ų2944.5 Ų44.518%0.17825%0.246CC..Hα-helixtrans-69.1-43.3179.3530000111.9P24 I74 F75 N80 L81 L82P24-T78 WeakPolarHBondContact CB-OG1 3.5Å; I74-T78 HydrophobicContact CG2-CG2 4.34Å; I74-T78 WeakPolarHBondContact O-CB 3.44Å; I74-T78 VanDerWaalsContact O-CG2 3.26Å; I74-T78 WeakPolarHBondContact O-CG2 3.37Å; I74-T78 PolarHBondContact O-N 3.03Å; I74-T78 PolarHBondContact O-OG1 2.93Å; F75-T78 PolarHBondContact O-N 3.14Å; F75-T78 PolarHBondContact O-OG1 3.1Å; T78-N80 VanDerWaalsContact C-N 3.33Å; T78-N80 PolarHBondContact O-N 3.32Å; T78-L81 PolarHBondContact O-N 3.47Å; T78-L82 WeakPolarHBondContact O-CB 3.33Å; T78-L82 WeakPolarHBondContact O-CD1 3.21Å; T78-L82 PolarHBondContact O-N 3.07Å
79T90.2Very high87.9Confident4 Ų443.3 Ų43.33%0.02524%0.24CC..Hα-helixtrans-61.7-40.3176.551.80000112.5P24 F75 I76 G83P24-T79 HydrophobicContact CB-CG2 4.3Å; P24-T79 HydrophobicContact CG-CG2 3.56Å; F75-T79 HydrophobicContact CD2-CG2 4.34Å; F75-T79 HydrophobicContact CE1-CG2 4.15Å; F75-T79 HydrophobicContact CE2-CG2 3.95Å; F75-T79 HydrophobicContact CZ-CG2 3.85Å; F75-T79 WeakPolarHBondContact O-CG2 3.42Å; F75-T79 PolarHBondContact O-N 3.22Å; F75-T79 PolarHBondContact O-OG1 3.38Å; F75-T79 VanDerWaalsContact O-OG1 3.06Å; I76-T79 WeakPolarHBondContact CA-OG1 3.05Å; I76-T79 PolarHBondContact O-OG1 3Å; T79-G83 PolarHBondContact O-N 3.25Å; T79-G83 VanDerWaalsContact O-N 3.09Å
80N90.4Very high87.6Confident1 Ų143.5 Ų43.51%0.00524%0.241CC..Hα-helixtrans-71.6-40.6-179.6-68.3-8.4000111.4I76 T78 G83 L84 T92 I161 A204I76-N80 WeakPolarHBondContact CG2-ND2 2.91Å; I76-N80 VanDerWaalsContact O-CB 3.32Å; I76-N80 WeakPolarHBondContact O-CB 2.85Å; I76-N80 PolarHBondContact O-N 3.42Å; I76-N80 PolarHBondContact O-ND2 2.94Å; I76-N80 PolarHBondContact O-OD1 3.12Å; T78-N80 VanDerWaalsContact C-N 3.33Å; T78-N80 PolarHBondContact O-N 3.32Å; N80-G83 WeakPolarHBondContact O-CA 3.27Å; N80-G83 PolarHBondContact O-N 3.44Å; N80-G83 VanDerWaalsContact O-N 3.11Å; N80-L84 PolarHBondContact O-N 3.4Å; N80-T92 WeakPolarHBondContact OD1-CB 3.34Å; N80-T92 VanDerWaalsContact OD1-CG2 3.32Å; N80-T92 WeakPolarHBondContact OD1-CG2 3.46Å; N80-T92 PolarHBondContact OD1-OG1 3.11Å; N80-I161 HydrophobicContact CB-CD1 4.31Å; N80-I161 VanDerWaalsContact CG-CD1 3.43Å; N80-I161 WeakPolarHBondContact OD1-CD1 3.35Å; N80-A204 HydrophobicContact CB-CB 3.95Å
81L89.3Confident87.1Confident97 Ų9743.2 Ų43.251%0.50824%0.239SC..Hα-helixtrans-69.1-42.7-179.9-167120.9000112.2A77 T78 G83 L84A77-L81 VanDerWaalsContact O-CB 3.28Å; A77-L81 WeakPolarHBondContact O-CB 3.32Å; A77-L81 PolarHBondContact O-N 2.96Å; T78-L81 PolarHBondContact O-N 3.47Å; L81-G83 PolarHBondContact O-N 2.84Å; L81-L84 PolarHBondContact O-N 3.37Å; L81-L84 VanDerWaalsContact O-N 3.16Å
82L89.1Confident86.8Confident36 Ų3640.1 Ų40.119%0.18822%0.217CC..Hα-helixtrans-60.1-30170.4-93.482.1000112F23 L27 T78 L84 L85 S88F23-L82 HydrophobicContact CD1-CD2 3.32Å; F23-L82 HydrophobicContact CE1-CD2 3.59Å; L27-L82 HydrophobicContact CD1-CD1 3.4Å; L27-L82 VanDerWaalsContact CD1-CD1 3.4Å; L27-L82 HydrophobicContact CD1-CD2 3.86Å; L27-L82 HydrophobicContact CD1-CG 4.14Å; T78-L82 WeakPolarHBondContact O-CB 3.33Å; T78-L82 WeakPolarHBondContact O-CD1 3.21Å; T78-L82 PolarHBondContact O-N 3.07Å; L82-L84 PolarHBondContact O-N 3.33Å; L82-L85 WeakPolarHBondContact O-CB 3.49Å; L82-L85 WeakPolarHBondContact O-CG 3.45Å; L82-L85 PolarHBondContact O-N 2.9Å; L82-S88 WeakPolarHBondContact O-CB 3.28Å; L82-S88 PolarHBondContact O-OG 3.3Å
83G85.2Confident86.5Confident2 Ų239.8 Ų39.82%0.02122%0.216CC..THydrogen-bonded Turntrans-62.6-25.117700000116.4T79 N80 L81 L85 S88 H165T79-G83 PolarHBondContact O-N 3.25Å; T79-G83 VanDerWaalsContact O-N 3.09Å; N80-G83 WeakPolarHBondContact O-CA 3.27Å; N80-G83 PolarHBondContact O-N 3.44Å; N80-G83 VanDerWaalsContact O-N 3.11Å; L81-G83 PolarHBondContact O-N 2.84Å; G83-L85 VanDerWaalsContact C-N 3.28Å; G83-S88 PolarHBondContact O-OG 3.42Å; G83-H165 PolarHBondContact O-CE1 3.48Å; G83-H165 PolarHBondContact O-NE2 2.91Å
84L85.9Confident86.4Confident37 Ų3742.2 Ų42.219%0.19423%0.227CC..THydrogen-bonded Turntrans-85-5.3-179.7-60.9175000112.7N80 L81 L82 M168 E200 I201 A204N80-L84 PolarHBondContact O-N 3.4Å; L81-L84 PolarHBondContact O-N 3.37Å; L81-L84 VanDerWaalsContact O-N 3.16Å; L82-L84 PolarHBondContact O-N 3.33Å; L84-M168 HydrophobicContact CD2-CE 4.05Å; L84-E200 HydrophobicContact CD1-CG 4.38Å; L84-E200 HydrophobicContact CD2-CB 4.21Å; L84-E200 HydrophobicContact CD2-CG 3.38Å; L84-I201 HydrophobicContact CD1-CB 4.2Å; L84-I201 HydrophobicContact CD1-CG1 3.6Å; L84-A204 HydrophobicContact CD1-CB 4.11Å
85L86.5Confident86.1Confident99 Ų9944 Ų4452%0.51824%0.236SC..SBendtrans-66145.3175.1-64.9173.9000110.9L82 G83 H87 S88L82-L85 WeakPolarHBondContact O-CB 3.49Å; L82-L85 WeakPolarHBondContact O-CG 3.45Å; L82-L85 PolarHBondContact O-N 2.9Å; G83-L85 VanDerWaalsContact C-N 3.28Å; L85-H87 PolarHBondContact O-N 3.3Å; L85-S88 PolarHBondContact O-N 3.44Å; L85-S88 PolarHBondContact O-OG 3.49Å
86P80.9Confident86Confident112 Ų11245.5 Ų45.573%0.72725%0.254SS*.THydrogen-bonded Turntrans-59.9134.2178.425.1-33.5000110.4S88P86-S88 PolarHBondContact O-N 2.92Å; P86-S88 VanDerWaalsContact O-N 3.17Å
87H81.3Confident85.8Confident203 Ų20347.4 Ų47.494%0.9426%0.263SS*.THydrogen-bonded Turntrans59.516.5-179.6-57-65.5000116L85L85-H87 PolarHBondContact O-N 3.3Å
88S82.9Confident85.7Confident33 Ų3346 Ų4623%0.23125%0.251CS..  trans-81.4141171.672.10000111.2L82 G83 L85 P86L82-S88 WeakPolarHBondContact O-CB 3.28Å; L82-S88 PolarHBondContact O-OG 3.3Å; G83-S88 PolarHBondContact O-OG 3.42Å; L85-S88 PolarHBondContact O-N 3.44Å; L85-S88 PolarHBondContact O-OG 3.49Å; P86-S88 PolarHBondContact O-N 2.92Å; P86-S88 VanDerWaalsContact O-N 3.17Å
89F80.7Confident85.5Confident27 Ų2746.7 Ų46.712%0.11825%0.253CS..  trans-87.4125.1169.5171.4-93.9000109.1S5 P9 A17 I20 Q94S5-F89 WeakPolarHBondContact O-CD2 3.05Å; P9-F89 HydrophobicContact CG-CB 4.4Å; P9-F89 HydrophobicContact CG-CD1 4.13Å; P9-F89 HydrophobicContact CG-CG 4.09Å; A17-F89 HydrophobicContact CB-CE1 4.36Å; I20-F89 HydrophobicContact CD1-CB 4.02Å; I20-F89 HydrophobicContact CD1-CD1 3.83Å; I20-F89 HydrophobicContact CD1-CG 4.31Å; I20-F89 HydrophobicContact CG2-CD1 4.46Å; I20-F89 WeakPolarHBondContact CG2-O 3.31Å; F89-Q94 HydrophobicContact CZ-CG 4.2Å
90T82.5Confident85.4Confident4 Ų449.5 Ų49.53%0.02528%0.277CS..  trans-94.8113.6178.329.40000111.1T92 T93 I161T90-T92 PolarHBondContact O-N 3.35Å; T90-T93 PolarHBondContact O-N 3.03Å; T90-T93 PolarHBondContact O-OG1 2.93Å; T90-T93 WeakPolarHBondContact OG1-CG2 3.18Å; T90-I161 HydrophobicContact CG2-CG2 4.33Å
91P80.7Confident85.1Confident10 Ų1050.8 Ų50.87%0.06528%0.283CS..G310 helixtrans-63.6-24.5175.726.3-33.3000112.4I21 T93 Q94 M97I21-P91 HydrophobicContact CD1-CB 4.29Å; I21-P91 HydrophobicContact CG1-CB 3.72Å; I21-P91 HydrophobicContact CG1-CG 4.07Å; P91-T93 VanDerWaalsContact C-N 3.28Å; P91-T93 PolarHBondContact O-N 3.24Å; P91-Q94 PolarHBondContact O-N 3.39Å; P91-M97 HydrophobicContact CB-CG 4.42Å; P91-M97 WeakPolarHBondContact O-CB 3.09Å
92T83.9Confident85Confident1 Ų146.3 Ų46.31%0.00626%0.26CS..G310 helixtrans-76.4-7-179.850.80000114.8N80 T90 Q94 N98 L157 I161N80-T92 WeakPolarHBondContact OD1-CB 3.34Å; N80-T92 VanDerWaalsContact OD1-CG2 3.32Å; N80-T92 WeakPolarHBondContact OD1-CG2 3.46Å; N80-T92 PolarHBondContact OD1-OG1 3.11Å; T90-T92 PolarHBondContact O-N 3.35Å; T92-Q94 VanDerWaalsContact C-N 3.33Å; T92-N98 PolarHBondContact O-ND2 2.84Å; T92-L157 HydrophobicContact CG2-CD2 3.98Å; T92-I161 WeakPolarHBondContact OG1-CD1 3.44Å
93T84.8Confident84.9Confident10 Ų1048.6 Ų48.66%0.06127%0.272CS..G310 helixtrans-75.6-25.9169.455.90000112.5F6 T90 P91 L95 I161 T162F6-T93 HydrophobicContact CD1-CG2 3.9Å; F6-T93 HydrophobicContact CE1-CG2 3.74Å; T90-T93 PolarHBondContact O-N 3.03Å; T90-T93 PolarHBondContact O-OG1 2.93Å; T90-T93 WeakPolarHBondContact OG1-CG2 3.18Å; P91-T93 VanDerWaalsContact C-N 3.28Å; P91-T93 PolarHBondContact O-N 3.24Å; T93-L95 PolarHBondContact O-N 3.45Å; T93-I161 HydrophobicContact CG2-CB 4.37Å; T93-I161 HydrophobicContact CG2-CG2 3.67Å; T93-T162 HydrophobicContact CG2-CG2 3.74Å
94Q88Confident85Confident68 Ų6852.3 Ų52.332%0.31830%0.296SS..SBendtrans-78.5120.1177.3-64.8-64-31.700109.5F6 F89 P91 T92 S96 M97 N98F6-Q94 PolarHBondContact O-NE2 3.33Å; F89-Q94 HydrophobicContact CZ-CG 4.2Å; P91-Q94 PolarHBondContact O-N 3.39Å; T92-Q94 VanDerWaalsContact C-N 3.33Å; Q94-S96 PolarHBondContact O-N 3.32Å; Q94-M97 PolarHBondContact O-N 3.28Å; Q94-M97 VanDerWaalsContact O-N 3.1Å; Q94-N98 PolarHBondContact O-N 3.23Å
95L85.6Confident85.1Confident69 Ų6951.6 Ų51.636%0.36129%0.292SS..Hα-helixtrans-57.3-33.3178-17863.8000112.2T93 M97 N98 L99 M151 A154 V155 T158T93-L95 PolarHBondContact O-N 3.45Å; L95-M97 VanDerWaalsContact C-N 3.32Å; L95-M97 PolarHBondContact O-N 3.15Å; L95-N98 PolarHBondContact O-N 3.11Å; L95-L99 VanDerWaalsContact O-CB 3.23Å; L95-L99 WeakPolarHBondContact O-CB 3.36Å; L95-L99 PolarHBondContact O-N 3.13Å; L95-M151 HydrophobicContact CD2-CE 4.16Å; L95-A154 HydrophobicContact CD1-CB 4.43Å; L95-V155 HydrophobicContact CD1-CG2 3.88Å; L95-T158 VanDerWaalsContact CA-CG2 3.46Å; L95-T158 HydrophobicContact CB-CG2 4.05Å; L95-T158 HydrophobicContact CD1-CG2 4.05Å
96S87.1Confident85Confident83 Ų8348.8 Ų48.858%0.5828%0.275SS*.Hα-helixtrans-57-43176.855.80000112.6Q94 A100Q94-S96 PolarHBondContact O-N 3.32Å; S96-A100 WeakPolarHBondContact O-CB 3.18Å; S96-A100 PolarHBondContact O-N 3.07Å
97M86.5Confident85.2Confident39 Ų3944.7 Ų44.719%0.19225%0.25CS..Hα-helixtrans-68-46.7-179-17658.4-171.200111.2I21 F75 P91 Q94 L95 L99 A100 M101I21-M97 HydrophobicContact CD1-SD 4.37Å; I21-M97 HydrophobicContact CG2-CE 4.35Å; F75-M97 HydrophobicContact CE1-CE 3.93Å; F75-M97 HydrophobicContact CZ-CE 3.92Å; P91-M97 HydrophobicContact CB-CG 4.42Å; P91-M97 WeakPolarHBondContact O-CB 3.09Å; Q94-M97 PolarHBondContact O-N 3.28Å; Q94-M97 VanDerWaalsContact O-N 3.1Å; L95-M97 VanDerWaalsContact C-N 3.32Å; L95-M97 PolarHBondContact O-N 3.15Å; M97-L99 VanDerWaalsContact C-N 3.33Å; M97-L99 PolarHBondContact O-N 3.38Å; M97-A100 PolarHBondContact O-N 3.3Å; M97-M101 HydrophobicContact CE-CE 4.05Å; M97-M101 HydrophobicContact CE-CG 4.34Å; M97-M101 HydrophobicContact CE-SD 4.03Å; M97-M101 HydrophobicContact CG-CE 3.9Å; M97-M101 PolarHBondContact O-N 3.38Å
98N87.7Confident85.4Confident1 Ų136 Ų361%0.00522%0.216CC..Hα-helixtrans-66.9-37.5-179.7-66-8.8000111.9T92 Q94 L95 M101 A102 A154 L157 T158T92-N98 PolarHBondContact O-ND2 2.84Å; Q94-N98 PolarHBondContact O-N 3.23Å; L95-N98 PolarHBondContact O-N 3.11Å; N98-M101 PolarHBondContact O-N 3.21Å; N98-A102 VanDerWaalsContact O-CB 3.31Å; N98-A102 WeakPolarHBondContact O-CB 3.3Å; N98-A102 PolarHBondContact O-N 3.22Å; N98-A154 HydrophobicContact CB-CB 3.93Å; N98-A154 PolarHBondContact ND2-O 2.86Å; N98-L157 WeakPolarHBondContact ND2-CD2 3.12Å; N98-L157 WeakPolarHBondContact OD1-CD2 3.41Å; N98-T158 HydrophobicContact CB-CG2 4.34Å; N98-T158 WeakPolarHBondContact ND2-CG2 3.39Å; N98-T158 PolarHBondContact ND2-N 3.39Å
99L85.8Confident85.4Confident44 Ų4434.6 Ų34.623%0.2321%0.206CC..Hα-helixtrans-69.7-39.1177.1-164.464.7000111.7L95 M97 M101 A102 I103 M151 A154L95-L99 VanDerWaalsContact O-CB 3.23Å; L95-L99 WeakPolarHBondContact O-CB 3.36Å; L95-L99 PolarHBondContact O-N 3.13Å; M97-L99 VanDerWaalsContact C-N 3.33Å; M97-L99 PolarHBondContact O-N 3.38Å; L99-M101 PolarHBondContact O-N 2.96Å; L99-A102 PolarHBondContact O-N 3.35Å; L99-I103 HydrophobicContact CD1-CD1 3.71Å; L99-I103 HydrophobicContact CD1-CG1 3.79Å; L99-I103 HydrophobicContact CD2-CD1 4Å; L99-I103 HydrophobicContact CG-CD1 3.5Å; L99-I103 VanDerWaalsContact CG-CD1 3.5Å; L99-I103 HydrophobicContact CG-CG1 3.96Å; L99-I103 WeakPolarHBondContact O-CG1 3.46Å; L99-I103 PolarHBondContact O-N 3.2Å; L99-M151 HydrophobicContact CD1-SD 3.4Å; L99-M151 WeakPolarHBondContact CD1-SD 3.49Å; L99-M151 HydrophobicContact CD2-SD 4.2Å; L99-M151 HydrophobicContact CG-SD 4.44Å; L99-A154 HydrophobicContact CD1-CB 4.21Å
100A88.4Confident85.5Confident64 Ų6434 Ų3453%0.52920%0.204SC..Hα-helixtrans-62.5-29.5173.400000112.8S96 M97 P104S96-A100 WeakPolarHBondContact O-CB 3.18Å; S96-A100 PolarHBondContact O-N 3.07Å; M97-A100 PolarHBondContact O-N 3.3Å; A100-P104 WeakPolarHBondContact O-CD 3.47Å; A100-P104 WeakPolarHBondContact O-CG 3.29Å
101M84.7Confident85.6Confident27 Ų2739 Ų3913%0.13323%0.23CC..Hα-helixtrans-79.1-45.3171.1-70.7-175.4-7700112.4F75 M97 N98 L99 L105F75-M101 HydrophobicContact CD1-SD 3.89Å; F75-M101 HydrophobicContact CE1-CE 4.42Å; F75-M101 HydrophobicContact CE1-SD 3.56Å; F75-M101 VanDerWaalsContact CE1-SD 3.56Å; M97-M101 HydrophobicContact CE-CE 4.05Å; M97-M101 HydrophobicContact CE-CG 4.34Å; M97-M101 HydrophobicContact CE-SD 4.03Å; M97-M101 HydrophobicContact CG-CE 3.9Å; M97-M101 PolarHBondContact O-N 3.38Å; N98-M101 PolarHBondContact O-N 3.21Å; L99-M101 PolarHBondContact O-N 2.96Å; M101-L105 WeakPolarHBondContact O-CD1 3.48Å; M101-L105 VanDerWaalsContact O-CG 3.23Å; M101-L105 WeakPolarHBondContact O-CG 3.42Å
102A86.2Confident85.6Confident3 Ų340.1 Ų40.13%0.02524%0.235CC..Hα-helixtrans-71.2-44.5-171.800000113.6N98 L99 L105 W106 A154 F211N98-A102 VanDerWaalsContact O-CB 3.31Å; N98-A102 WeakPolarHBondContact O-CB 3.3Å; N98-A102 PolarHBondContact O-N 3.22Å; L99-A102 PolarHBondContact O-N 3.35Å; A102-L105 PolarHBondContact O-N 3.1Å; A102-W106 WeakPolarHBondContact O-CB 3.47Å; A102-W106 PolarHBondContact O-N 3.49Å; A102-A154 HydrophobicContact CB-CB 4.24Å; A102-F211 HydrophobicContact CB-CE2 4.34Å; A102-F211 HydrophobicContact CB-CZ 4.15Å
103I87.3Confident85.2Confident84 Ų8440.1 Ų40.143%0.43124%0.235SC..Hα-helixtrans-62.1-50.1-174.9-66.2176.4000111.9L99 L105 W106 A107L99-I103 HydrophobicContact CD1-CD1 3.71Å; L99-I103 HydrophobicContact CD1-CG1 3.79Å; L99-I103 HydrophobicContact CD2-CD1 4Å; L99-I103 HydrophobicContact CG-CD1 3.5Å; L99-I103 VanDerWaalsContact CG-CD1 3.5Å; L99-I103 HydrophobicContact CG-CG1 3.96Å; L99-I103 WeakPolarHBondContact O-CG1 3.46Å; L99-I103 PolarHBondContact O-N 3.2Å; I103-L105 VanDerWaalsContact C-N 3.35Å; I103-L105 PolarHBondContact O-N 3.44Å; I103-W106 PolarHBondContact O-N 2.92Å; I103-A107 WeakPolarHBondContact O-CB 3.46Å; I103-A107 PolarHBondContact O-N 3.28Å
104P88.5Confident84.9Confident80 Ų8043.4 Ų43.452%0.51925%0.248SC..Hα-helixtrans-65-37.3-178.5-23.836.4000113.1A100 G108A100-P104 WeakPolarHBondContact O-CD 3.47Å; A100-P104 WeakPolarHBondContact O-CG 3.29Å; P104-G108 PolarHBondContact O-N 3.16Å
105L87Confident84.4Confident22 Ų2250.2 Ų50.212%0.11527%0.271CS..Hα-helixtrans-65.1-47.2178.2-70.8170.1000111.5M68 L72 M101 A102 I103 G108 A109 F211 V215M68-L105 HydrophobicContact CE-CD2 3.33Å; M68-L105 HydrophobicContact CG-CD2 4.31Å; M68-L105 HydrophobicContact SD-CD2 3.43Å; M68-L105 WeakPolarHBondContact SD-CD2 3.4Å; L72-L105 HydrophobicContact CD1-CD1 3.43Å; L72-L105 VanDerWaalsContact CD1-CD1 3.43Å; L72-L105 HydrophobicContact CD2-CD1 3.82Å; L72-L105 HydrophobicContact CG-CD1 4.27Å; M101-L105 WeakPolarHBondContact O-CD1 3.48Å; M101-L105 VanDerWaalsContact O-CG 3.23Å; M101-L105 WeakPolarHBondContact O-CG 3.42Å; A102-L105 PolarHBondContact O-N 3.1Å; I103-L105 VanDerWaalsContact C-N 3.35Å; I103-L105 PolarHBondContact O-N 3.44Å; L105-G108 PolarHBondContact O-N 3.42Å; L105-A109 PolarHBondContact O-N 3.04Å; L105-A109 VanDerWaalsContact O-N 3.11Å; L105-F211 HydrophobicContact CD1-CE1 4.03Å; L105-F211 HydrophobicContact CD1-CZ 4.47Å; L105-V215 HydrophobicContact CB-CG1 4.47Å
106W85.7Confident83.6Confident41 Ų4149.2 Ų49.216%0.15527%0.27CS..Hα-helixtrans-64-47.6176.2172.490.8000111.4A102 I103 G108 A109 V110 L146 L147 P150A102-W106 WeakPolarHBondContact O-CB 3.47Å; A102-W106 PolarHBondContact O-N 3.49Å; I103-W106 PolarHBondContact O-N 2.92Å; W106-G108 VanDerWaalsContact C-N 3.29Å; W106-G108 PolarHBondContact O-N 3.01Å; W106-A109 PolarHBondContact O-N 3.11Å; W106-A109 VanDerWaalsContact O-N 3.16Å; W106-V110 HydrophobicContact CD2-CG2 4.1Å; W106-V110 HydrophobicContact CH2-CG2 4.41Å; W106-V110 HydrophobicContact CZ2-CG2 3.93Å; W106-V110 WeakPolarHBondContact O-CG2 3.5Å; W106-V110 PolarHBondContact O-N 2.85Å; W106-L146 HydrophobicContact CH2-CD2 4.22Å; W106-L146 HydrophobicContact CZ2-CD2 3.47Å; W106-L146 VanDerWaalsContact CZ2-CD2 3.47Å; W106-L146 HydrophobicContact CZ2-CG 3.99Å; W106-L146 WeakPolarHBondContact CZ2-O 3.17Å; W106-L146 PolarHBondContact NE1-O 2.93Å; W106-L146 VanDerWaalsContact NE1-O 3.17Å; W106-L147 HydrophobicContact CH2-CD2 3.63Å; W106-L147 HydrophobicContact CZ2-CD2 4.09Å; W106-L147 HydrophobicContact CZ3-CD2 4.49Å; W106-P150 HydrophobicContact CB-CB 3.88Å; W106-P150 HydrophobicContact CB-CG 4.34Å; W106-P150 HydrophobicContact CD2-CB 4.37Å; W106-P150 HydrophobicContact CD2-CG 3.86Å; W106-P150 HydrophobicContact CG-CB 3.79Å; W106-P150 HydrophobicContact CG-CG 3.74Å
107A85.1Confident82.8Confident26 Ų2649.8 Ų49.822%0.21526%0.262CS..Hα-helixtrans-60.7-40.9179.300000111I103 V110 I111I103-A107 WeakPolarHBondContact O-CB 3.46Å; I103-A107 PolarHBondContact O-N 3.28Å; A107-V110 PolarHBondContact O-N 2.69Å; A107-I111 HydrophobicContact CB-CD1 4.49Å; A107-I111 VanDerWaalsContact O-CB 3.31Å; A107-I111 WeakPolarHBondContact O-CB 3.33Å; A107-I111 WeakPolarHBondContact O-CD1 3.4Å; A107-I111 WeakPolarHBondContact O-CG1 3.45Å; A107-I111 PolarHBondContact O-N 2.83Å
108G85.3Confident81.8Confident21 Ų2153.2 Ų53.222%0.21628%0.28CS..Hα-helixtrans-59.6-45.1174.800000113.1P104 L105 W106 M112P104-G108 PolarHBondContact O-N 3.16Å; L105-G108 PolarHBondContact O-N 3.42Å; W106-G108 VanDerWaalsContact C-N 3.29Å; W106-G108 PolarHBondContact O-N 3.01Å; G108-M112 VanDerWaalsContact O-CB 3.32Å; G108-M112 WeakPolarHBondContact O-CB 3.34Å; G108-M112 PolarHBondContact O-N 2.93Å
109A83Confident80.7Confident2 Ų262.1 Ų62.12%0.01732%0.319CS..Hα-helixtrans-63.4-46177.200000111.9L105 W106 M112 G113L105-A109 PolarHBondContact O-N 3.04Å; L105-A109 VanDerWaalsContact O-N 3.11Å; W106-A109 PolarHBondContact O-N 3.11Å; W106-A109 VanDerWaalsContact O-N 3.16Å; A109-M112 PolarHBondContact O-N 3.17Å; A109-G113 PolarHBondContact O-N 3.19Å
110V82.7Confident79.9Confident14 Ų1465.1 Ų65.19%0.08534%0.335CS..Hα-helixtrans-64.7-47.2179.2173.10000111.5W106 A107 M112 G113 F114W106-V110 HydrophobicContact CD2-CG2 4.1Å; W106-V110 HydrophobicContact CH2-CG2 4.41Å; W106-V110 HydrophobicContact CZ2-CG2 3.93Å; W106-V110 WeakPolarHBondContact O-CG2 3.5Å; W106-V110 PolarHBondContact O-N 2.85Å; A107-V110 PolarHBondContact O-N 2.69Å; V110-M112 VanDerWaalsContact C-N 3.28Å; V110-M112 PolarHBondContact O-N 2.92Å; V110-G113 PolarHBondContact O-N 3.48Å; V110-G113 VanDerWaalsContact O-N 3.13Å; V110-F114 HydrophobicContact CG1-CD2 3.63Å; V110-F114 HydrophobicContact CG1-CE2 3.39Å; V110-F114 VanDerWaalsContact O-CD2 3.22Å; V110-F114 WeakPolarHBondContact O-CD2 3.38Å; V110-F114 PolarHBondContact O-N 2.93Å
111I83.9Confident78.7Confident110 Ų11062.9 Ų62.956%0.56432%0.316SS*.Hα-helixtrans-60.9-39.5177.6-68.5164000110.7A107 G113 F114 R115A107-I111 HydrophobicContact CB-CD1 4.49Å; A107-I111 VanDerWaalsContact O-CB 3.31Å; A107-I111 WeakPolarHBondContact O-CB 3.33Å; A107-I111 WeakPolarHBondContact O-CD1 3.4Å; A107-I111 WeakPolarHBondContact O-CG1 3.45Å; A107-I111 PolarHBondContact O-N 2.83Å; I111-G113 VanDerWaalsContact C-N 3.35Å; I111-F114 PolarHBondContact O-N 3.36Å; I111-R115 WeakPolarHBondContact O-CB 2.96Å; I111-R115 PolarHBondContact O-N 3.47Å
112M80.9Confident77.7Confident34 Ų3466 Ų6617%0.16733%0.333CS..Hα-helixtrans-66.3-37.2176.5-172.1169.6178.800112.3W65 G108 A109 V110 R115 S116 L219W65-M112 HydrophobicContact CZ2-SD 3.77Å; W65-M112 PolarHBondContact NE1-SD 3.06Å; G108-M112 VanDerWaalsContact O-CB 3.32Å; G108-M112 WeakPolarHBondContact O-CB 3.34Å; G108-M112 PolarHBondContact O-N 2.93Å; A109-M112 PolarHBondContact O-N 3.17Å; V110-M112 VanDerWaalsContact C-N 3.28Å; V110-M112 PolarHBondContact O-N 2.92Å; M112-R115 PolarHBondContact O-N 3.32Å; M112-S116 WeakPolarHBondContact O-CB 3.29Å; M112-S116 PolarHBondContact O-N 3.11Å; M112-S116 PolarHBondContact O-OG 3.31Å; M112-L219 HydrophobicContact SD-CD1 4.35Å
113G75.8Confident76.6Confident1 Ų168.5 Ų68.51%0.0135%0.354CS..Hα-helixtrans-61.4-51.6173.200000112.6A109 V110 I111 R115 S116 K117 N222A109-G113 PolarHBondContact O-N 3.19Å; V110-G113 PolarHBondContact O-N 3.48Å; V110-G113 VanDerWaalsContact O-N 3.13Å; I111-G113 VanDerWaalsContact C-N 3.35Å; G113-R115 VanDerWaalsContact C-N 3.31Å; G113-R115 PolarHBondContact O-N 3.46Å; G113-S116 PolarHBondContact O-N 2.96Å; G113-S116 PolarHBondContact O-OG 3.29Å; G113-K117 PolarHBondContact O-N 3.11Å; G113-N222 VanDerWaalsContact CA-O 3.25Å; G113-N222 WeakPolarHBondContact CA-O 3.41Å
114F77.6Confident75.5Confident79 Ų7970 Ų7035%0.34636%0.359SS..Hα-helixtrans-58.3-42.4174.9-77.9-66.3000112V110 I111 S116 I118 A121 L122 F125V110-F114 HydrophobicContact CG1-CD2 3.63Å; V110-F114 HydrophobicContact CG1-CE2 3.39Å; V110-F114 VanDerWaalsContact O-CD2 3.22Å; V110-F114 WeakPolarHBondContact O-CD2 3.38Å; V110-F114 PolarHBondContact O-N 2.93Å; I111-F114 PolarHBondContact O-N 3.36Å; F114-S116 PolarHBondContact O-N 3.24Å; F114-I118 WeakPolarHBondContact O-CG1 3.37Å; F114-I118 PolarHBondContact O-N 3.3Å; F114-A121 HydrophobicContact CD1-CB 4.24Å; F114-A121 HydrophobicContact CE1-CB 4.32Å; F114-L122 HydrophobicContact CD1-CD1 4.22Å; F114-L122 HydrophobicContact CE1-CD1 3.82Å; F114-F125 HydrophobicContact CZ-CE2 4.39Å
115R77.1Confident74.4Confident210 Ų21068 Ų6879%0.79234%0.342SS*.Hα-helixtrans-68.4-34.7-179.8-165.4177.972.3177.51.5113.2I111 M112 G113I111-R115 WeakPolarHBondContact O-CB 2.96Å; I111-R115 PolarHBondContact O-N 3.47Å; M112-R115 PolarHBondContact O-N 3.32Å; G113-R115 VanDerWaalsContact C-N 3.31Å; G113-R115 PolarHBondContact O-N 3.46Å
116S69.1Low73.3Confident49 Ų4970 Ų7034%0.34335%0.352SS..Hα-helixtrans-87.6-39-173.275.30000113.6M112 G113 F114 N222M112-S116 WeakPolarHBondContact O-CB 3.29Å; M112-S116 PolarHBondContact O-N 3.11Å; M112-S116 PolarHBondContact O-OG 3.31Å; G113-S116 PolarHBondContact O-N 2.96Å; G113-S116 PolarHBondContact O-OG 3.29Å; F114-S116 PolarHBondContact O-N 3.24Å; S116-N222 PolarHBondContact OG-O 3.42Å
117K70.9Confident72.1Confident94 Ų9471.4 Ų71.441%0.40937%0.367SS..  trans-147.972.4-176.4-68.2176.8-179.3159.80111.3G113 K119 N120 A121 T223G113-K117 PolarHBondContact O-N 3.11Å; K117-K119 VanDerWaalsContact C-N 3.28Å; K117-K119 PolarHBondContact O-N 3.28Å; K117-N120 HydrophobicContact CB-CB 3.88Å; K117-N120 HydrophobicContact CD-CB 4.23Å; K117-N120 PolarHBondContact O-N 3.24Å; K117-N120 VanDerWaalsContact O-N 3.1Å; K117-A121 WeakPolarHBondContact O-CB 3.45Å; K117-A121 PolarHBondContact O-N 3.4Å; K117-T223 WeakPolarHBondContact CE-O 3.36Å; K117-T223 PolarHBondContact NZ-O 3.38Å
118I66Low71Confident111 Ų11179.9 Ų79.957%0.56940%0.402SS*.Hα-helixtrans-47.8-49.7177.5-59.5171.2000111.6F114 N120 A121 L122F114-I118 WeakPolarHBondContact O-CG1 3.37Å; F114-I118 PolarHBondContact O-N 3.3Å; I118-N120 PolarHBondContact O-N 3.36Å; I118-A121 PolarHBondContact O-N 3.05Å; I118-L122 HydrophobicContact CG2-CD1 3.76Å; I118-L122 WeakPolarHBondContact O-CD1 3.32Å; I118-L122 PolarHBondContact O-N 2.72Å
119K64.4Low69.9Low189 Ų18982.9 Ų82.982%0.82243%0.432SS*.Hα-helixtrans-65.2-37-176.6-64.5-176-179.9-177.50113.4K117 A123K117-K119 VanDerWaalsContact C-N 3.28Å; K117-K119 PolarHBondContact O-N 3.28Å; K119-A123 VanDerWaalsContact O-CB 3.28Å; K119-A123 WeakPolarHBondContact O-CB 3.12Å; K119-A123 PolarHBondContact O-N 3.19Å
120N67.8Low69.4Low107 Ų10784.6 Ų84.657%0.57244%0.443SS*.Hα-helixtrans-79.5-35.9-177.8-141.767000111.3K117 I118 A123 H124K117-N120 HydrophobicContact CB-CB 3.88Å; K117-N120 HydrophobicContact CD-CB 4.23Å; K117-N120 PolarHBondContact O-N 3.24Å; K117-N120 VanDerWaalsContact O-N 3.1Å; I118-N120 PolarHBondContact O-N 3.36Å; N120-A123 PolarHBondContact O-N 2.96Å; N120-H124 PolarHBondContact O-N 2.98Å; N120-H124 VanDerWaalsContact O-N 3.12Å
121A64.3Low68.9Low16 Ų1687.5 Ų87.513%0.13246%0.462CS..Hα-helixtrans-63.4-42.7172.600000111.5F114 K117 I118 H124F114-A121 HydrophobicContact CD1-CB 4.24Å; F114-A121 HydrophobicContact CE1-CB 4.32Å; K117-A121 WeakPolarHBondContact O-CB 3.45Å; K117-A121 PolarHBondContact O-N 3.4Å; I118-A121 PolarHBondContact O-N 3.05Å; A121-H124 PolarHBondContact O-N 3.36Å
122L63.7Low68.5Low93 Ų9388 Ų8849%0.48747%0.471SS..Hα-helixtrans-69.7-32.8174.4-86.984.6000112.7F114 I118 H124 F125F114-L122 HydrophobicContact CD1-CD1 4.22Å; F114-L122 HydrophobicContact CE1-CD1 3.82Å; I118-L122 HydrophobicContact CG2-CD1 3.76Å; I118-L122 WeakPolarHBondContact O-CD1 3.32Å; I118-L122 PolarHBondContact O-N 2.72Å; L122-H124 VanDerWaalsContact C-N 3.28Å; L122-H124 PolarHBondContact O-N 3.44Å; L122-F125 PolarHBondContact O-N 3.23Å
123A62.1Low68.6Low56 Ų5691.3 Ų91.346%0.46350%0.495SS..Hα-helixtrans-67.4-27.917700000112.7K119 N120 F125 L126K119-A123 VanDerWaalsContact O-CB 3.28Å; K119-A123 WeakPolarHBondContact O-CB 3.12Å; K119-A123 PolarHBondContact O-N 3.19Å; N120-A123 PolarHBondContact O-N 2.96Å; A123-F125 PolarHBondContact O-N 3.06Å; A123-L126 PolarHBondContact O-N 2.93Å; A123-L126 VanDerWaalsContact O-N 3.1Å
124H65.6Low68.8Low116 Ų11696.4 Ų96.454%0.53752%0.521SS..THydrogen-bonded Turntrans-66.9-18.6176.7-156.7-64000113.1N120 A121 L122 L126N120-H124 PolarHBondContact O-N 2.98Å; N120-H124 VanDerWaalsContact O-N 3.12Å; A121-H124 PolarHBondContact O-N 3.36Å; L122-H124 VanDerWaalsContact C-N 3.28Å; L122-H124 PolarHBondContact O-N 3.44Å; H124-L126 PolarHBondContact O-N 3.32Å
125F64Low68.9Low38 Ų3894.9 Ų94.917%0.16752%0.516CS..THydrogen-bonded Turntrans-71.6-14172.9-67.7-58.1000113.4F114 L122 A123 L138 E142 T143F114-F125 HydrophobicContact CZ-CE2 4.39Å; L122-F125 PolarHBondContact O-N 3.23Å; A123-F125 PolarHBondContact O-N 3.06Å; F125-L138 WeakPolarHBondContact O-CD2 3.39Å; F125-E142 HydrophobicContact CD1-CB 4.27Å; F125-E142 HydrophobicContact CD1-CG 3.87Å; F125-T143 HydrophobicContact CD1-CG2 4.16Å; F125-T143 HydrophobicContact CE1-CG2 3.96Å; F125-T143 HydrophobicContact CZ-CG2 4.46Å
126L63.6Low69Low63 Ų6389 Ų8933%0.3351%0.505SS..SBendtrans-122.8116.7176.3-93.680.5000111A123 H124 Q128 I135 V139A123-L126 PolarHBondContact O-N 2.93Å; A123-L126 VanDerWaalsContact O-N 3.1Å; H124-L126 PolarHBondContact O-N 3.32Å; L126-Q128 PolarHBondContact O-N 2.74Å; L126-I135 HydrophobicContact CD1-CG2 4.16Å; L126-I135 HydrophobicContact CD2-CD1 4.22Å; L126-I135 HydrophobicContact CD2-CG1 4.29Å; L126-I135 HydrophobicContact CD2-CG2 3.71Å; L126-I135 HydrophobicContact CG-CG2 4.13Å; L126-V139 HydrophobicContact CD1-CG2 3.37Å; L126-V139 HydrophobicContact CG-CG2 4.43Å
127P61Low69.7Low71 Ų7192.2 Ų92.246%0.46152%0.516SS..  trans-64136.6163.719.4-19.4000109.6G129 T130 L138P127-G129 PolarHBondContact O-N 3.3Å; P127-T130 HydrophobicContact CB-CG2 4.45Å; P127-T130 HydrophobicContact CG-CG2 3.75Å; P127-T130 WeakPolarHBondContact O-CG2 3.5Å; P127-T130 PolarHBondContact O-OG1 2.9Å; P127-L138 HydrophobicContact CG-CD1 3.79Å; P127-L138 HydrophobicContact CG-CD2 4.02Å
128Q61.6Low70.3Confident204 Ų20490 Ų9095%0.95351%0.508SS*.THydrogen-bonded Turntrans-64.4132.7-179.3-62.8-162.2-1.100110.4L126L126-Q128 PolarHBondContact O-N 2.74Å
129G63Low71Confident83 Ų8386.9 Ų86.986%0.85649%0.494SS*.THydrogen-bonded Turntrans93.515.8177.900000115.7P127P127-G129 PolarHBondContact O-N 3.3Å
130T72Confident72Confident38 Ų3882.1 Ų82.123%0.23348%0.477CS..  trans-74.813517543.50000112.1P127 L138P127-T130 HydrophobicContact CB-CG2 4.45Å; P127-T130 HydrophobicContact CG-CG2 3.75Å; P127-T130 WeakPolarHBondContact O-CG2 3.5Å; P127-T130 PolarHBondContact O-OG1 2.9Å; T130-L138 HydrophobicContact CG2-CD1 3.97Å
131P73.3Confident72.9Confident76 Ų7681.5 Ų81.549%0.49447%0.473SS..  trans-67.2140.7177.428.9-34.8000110.3P133 L134P131-P133 VanDerWaalsContact C-N 3.34Å; P131-P133 VanDerWaalsContact O-CD 3.26Å; P131-P133 WeakPolarHBondContact O-CD 3.43Å; P131-P133 VanDerWaalsContact O-N 3.1Å; P131-L134 HydrophobicContact CG-CB 4.44Å; P131-L134 HydrophobicContact CG-CD1 3.76Å; P131-L134 HydrophobicContact CG-CG 4.24Å; P131-L134 PolarHBondContact O-N 3.37Å
132T75.8Confident73.8Confident121 Ų12183.8 Ų83.874%0.74248%0.48SS*.THydrogen-bonded Turntrans-51.5-31.2-170.752.20000117.2
133P82.1Confident74.7Confident103 Ų10381.8 Ų81.867%0.66947%0.472SS*.THydrogen-bonded Turntrans-78.3-22.9179.111.1-0.8000114.1P131 P136P131-P133 VanDerWaalsContact C-N 3.34Å; P131-P133 VanDerWaalsContact O-CD 3.26Å; P131-P133 WeakPolarHBondContact O-CD 3.43Å; P131-P133 VanDerWaalsContact O-N 3.1Å; P133-P136 WeakPolarHBondContact O-CD 3.36Å
134L79.8Confident75.8Confident107 Ų10783 Ų8356%0.5647%0.47SS*.THydrogen-bonded Turntrans-87.9-11.8-176.5-65.7177.6000113.3P131 M137 L138P131-L134 HydrophobicContact CG-CB 4.44Å; P131-L134 HydrophobicContact CG-CD1 3.76Å; P131-L134 HydrophobicContact CG-CG 4.24Å; P131-L134 PolarHBondContact O-N 3.37Å; L134-M137 PolarHBondContact O-N 2.96Å; L134-L138 PolarHBondContact O-N 2.9Å; L134-L138 VanDerWaalsContact O-N 3.12Å
135I79Confident76.7Confident48 Ų4880 Ų8025%0.24646%0.462CS..Hα-helixtrans-55.8-48.8-176.2-64.1175.6000112.6L126 M137 L138 V139L126-I135 HydrophobicContact CD1-CG2 4.16Å; L126-I135 HydrophobicContact CD2-CD1 4.22Å; L126-I135 HydrophobicContact CD2-CG1 4.29Å; L126-I135 HydrophobicContact CD2-CG2 3.71Å; L126-I135 HydrophobicContact CG-CG2 4.13Å; I135-M137 VanDerWaalsContact C-N 3.33Å; I135-M137 PolarHBondContact O-N 2.98Å; I135-L138 PolarHBondContact O-N 3.46Å; I135-V139 HydrophobicContact CG2-CG2 4.43Å; I135-V139 WeakPolarHBondContact O-CG2 3.22Å; I135-V139 PolarHBondContact O-N 3.43Å; I135-V139 VanDerWaalsContact O-N 3.13Å
136P79.7Confident77.5Confident85 Ų8580.2 Ų80.255%0.55247%0.465SS*.Hα-helixtrans-64.2-37.4-175.7-21.133.9000112.9P133 I140P133-P136 WeakPolarHBondContact O-CD 3.36Å; P136-I140 WeakPolarHBondContact O-CG1 3.28Å; P136-I140 PolarHBondContact O-N 3.38Å
137M83.2Confident78.4Confident117 Ų11782.4 Ų82.458%0.57648%0.476SS*.Hα-helixtrans-69.1-41.6178.7-173.963.9-170.100111.5L134 I135 I140 I141L134-M137 PolarHBondContact O-N 2.96Å; I135-M137 VanDerWaalsContact C-N 3.33Å; I135-M137 PolarHBondContact O-N 2.98Å; M137-I140 PolarHBondContact O-N 3.08Å; M137-I141 HydrophobicContact CE-CD1 3.91Å; M137-I141 HydrophobicContact CE-CG1 4.1Å; M137-I141 HydrophobicContact CG-CD1 4.12Å; M137-I141 WeakPolarHBondContact O-CG1 3.25Å; M137-I141 PolarHBondContact O-N 2.92Å; M137-I141 VanDerWaalsContact O-N 3.12Å
138L84.5Confident79.6Confident48 Ų4883.6 Ų83.625%0.25148%0.478SS..Hα-helixtrans-65.9-41.2-178.4-169.3150.1000111.8F125 P127 T130 L134 I135 I140 I141 E142F125-L138 WeakPolarHBondContact O-CD2 3.39Å; P127-L138 HydrophobicContact CG-CD1 3.79Å; P127-L138 HydrophobicContact CG-CD2 4.02Å; T130-L138 HydrophobicContact CG2-CD1 3.97Å; L134-L138 PolarHBondContact O-N 2.9Å; L134-L138 VanDerWaalsContact O-N 3.12Å; I135-L138 PolarHBondContact O-N 3.46Å; L138-I140 VanDerWaalsContact C-N 3.3Å; L138-I140 PolarHBondContact O-N 3.41Å; L138-I141 PolarHBondContact O-N 2.97Å; L138-E142 PolarHBondContact O-N 3.09Å
139V81.5Confident80.6Confident45 Ų4577.4 Ų77.427%0.27345%0.449SS..Hα-helixtrans-58.7-43.71761740000111L126 I135 I141 E142 T143L126-V139 HydrophobicContact CD1-CG2 3.37Å; L126-V139 HydrophobicContact CG-CG2 4.43Å; I135-V139 HydrophobicContact CG2-CG2 4.43Å; I135-V139 WeakPolarHBondContact O-CG2 3.22Å; I135-V139 PolarHBondContact O-N 3.43Å; I135-V139 VanDerWaalsContact O-N 3.13Å; V139-I141 PolarHBondContact O-N 3.44Å; V139-E142 PolarHBondContact O-N 2.71Å; V139-T143 HydrophobicContact CG1-CG2 4.3Å; V139-T143 VanDerWaalsContact O-CG2 3.24Å; V139-T143 WeakPolarHBondContact O-CG2 3.39Å; V139-T143 PolarHBondContact O-N 2.9Å; V139-T143 PolarHBondContact O-OG1 3.43Å
140I85.1Confident81.3Confident90 Ų9074 Ų7446%0.46241%0.411SS..Hα-helixtrans-60.8-47.1177.6-66.2166.5000110.4P136 M137 L138 E142 T143 I144P136-I140 WeakPolarHBondContact O-CG1 3.28Å; P136-I140 PolarHBondContact O-N 3.38Å; M137-I140 PolarHBondContact O-N 3.08Å; L138-I140 VanDerWaalsContact C-N 3.3Å; L138-I140 PolarHBondContact O-N 3.41Å; I140-E142 PolarHBondContact O-N 3.41Å; I140-T143 PolarHBondContact O-N 3.29Å; I140-T143 PolarHBondContact O-OG1 2.96Å; I140-I144 HydrophobicContact CG2-CD1 3.74Å; I140-I144 VanDerWaalsContact O-CG1 3.31Å; I140-I144 WeakPolarHBondContact O-CG1 3.45Å; I140-I144 PolarHBondContact O-N 3.44Å
141I86Confident81.8Confident94 Ų9475.9 Ų75.948%0.48242%0.419SS..Hα-helixtrans-61.8-44.2179.5-64.4166.6000111.2M137 L138 V139 I144 S145M137-I141 HydrophobicContact CE-CD1 3.91Å; M137-I141 HydrophobicContact CE-CG1 4.1Å; M137-I141 HydrophobicContact CG-CD1 4.12Å; M137-I141 WeakPolarHBondContact O-CG1 3.25Å; M137-I141 PolarHBondContact O-N 2.92Å; M137-I141 VanDerWaalsContact O-N 3.12Å; L138-I141 PolarHBondContact O-N 2.97Å; V139-I141 PolarHBondContact O-N 3.44Å; I141-I144 PolarHBondContact O-N 3.44Å; I141-S145 WeakPolarHBondContact O-CB 3.37Å; I141-S145 PolarHBondContact O-N 3.46Å
142E83.8Confident82.4Confident63 Ų6374.1 Ų74.129%0.29441%0.411SS..Hα-helixtrans-66.5-40.2-179.1-167.361.7-159.200111.7F125 L138 V139 I140 I144 S145 L146F125-E142 HydrophobicContact CD1-CB 4.27Å; F125-E142 HydrophobicContact CD1-CG 3.87Å; L138-E142 PolarHBondContact O-N 3.09Å; V139-E142 PolarHBondContact O-N 2.71Å; I140-E142 PolarHBondContact O-N 3.41Å; E142-I144 VanDerWaalsContact C-N 3.33Å; E142-I144 PolarHBondContact O-N 3.3Å; E142-S145 WeakPolarHBondContact O-CB 3.46Å; E142-S145 PolarHBondContact O-N 3.02Å; E142-L146 WeakPolarHBondContact O-CB 3.3Å; E142-L146 PolarHBondContact O-N 3.09Å
143T81.3Confident82.6Confident51 Ų5168.9 Ų68.931%0.31338%0.378SS..Hα-helixtrans-63-38.6174.759.90000112.3F125 V139 I140 L147F125-T143 HydrophobicContact CD1-CG2 4.16Å; F125-T143 HydrophobicContact CE1-CG2 3.96Å; F125-T143 HydrophobicContact CZ-CG2 4.46Å; V139-T143 HydrophobicContact CG1-CG2 4.3Å; V139-T143 VanDerWaalsContact O-CG2 3.24Å; V139-T143 WeakPolarHBondContact O-CG2 3.39Å; V139-T143 PolarHBondContact O-N 2.9Å; V139-T143 PolarHBondContact O-OG1 3.43Å; I140-T143 PolarHBondContact O-N 3.29Å; I140-T143 PolarHBondContact O-OG1 2.96Å; T143-L147 WeakPolarHBondContact O-CG 3.35Å; T143-L147 PolarHBondContact O-N 3.22Å
144I85.7Confident82.6Confident83 Ų8364 Ų6443%0.42635%0.346SS..Hα-helixtrans-68.5-43.5175.3-68.3166.2000110.5I140 I141 E142 L146 L147 I148I140-I144 HydrophobicContact CG2-CD1 3.74Å; I140-I144 VanDerWaalsContact O-CG1 3.31Å; I140-I144 WeakPolarHBondContact O-CG1 3.45Å; I140-I144 PolarHBondContact O-N 3.44Å; I141-I144 PolarHBondContact O-N 3.44Å; E142-I144 VanDerWaalsContact C-N 3.33Å; E142-I144 PolarHBondContact O-N 3.3Å; I144-L146 VanDerWaalsContact C-N 3.33Å; I144-L146 PolarHBondContact O-N 3.42Å; I144-L147 PolarHBondContact O-N 3.27Å; I144-L147 VanDerWaalsContact O-N 3.16Å; I144-I148 HydrophobicContact CG2-CD1 3.46Å; I144-I148 VanDerWaalsContact CG2-CD1 3.46Å; I144-I148 HydrophobicContact CG2-CG1 4.1Å; I144-I148 WeakPolarHBondContact O-CG1 3.14Å; I144-I148 PolarHBondContact O-N 3.33Å
145S83.9Confident82.9Confident53 Ų5361.8 Ų61.837%0.37134%0.337SS..Hα-helixtrans-56.6-47.5177.4-176.30000111.3I141 E142 L147 I148 Q149I141-S145 WeakPolarHBondContact O-CB 3.37Å; I141-S145 PolarHBondContact O-N 3.46Å; E142-S145 WeakPolarHBondContact O-CB 3.46Å; E142-S145 PolarHBondContact O-N 3.02Å; S145-L147 VanDerWaalsContact C-N 3.27Å; S145-L147 PolarHBondContact O-N 3.02Å; S145-I148 PolarHBondContact O-N 3.2Å; S145-Q149 WeakPolarHBondContact O-CB 3.06Å; S145-Q149 PolarHBondContact O-N 3.48Å; S145-Q149 VanDerWaalsContact O-N 3.15Å
146L82.1Confident83.3Confident42 Ų4264.2 Ų64.222%0.2234%0.343CS..Hα-helixtrans-59.5-35.1178.1-174.5121.5000112.6W106 E142 I144 P150W106-L146 HydrophobicContact CH2-CD2 4.22Å; W106-L146 HydrophobicContact CZ2-CD2 3.47Å; W106-L146 VanDerWaalsContact CZ2-CD2 3.47Å; W106-L146 HydrophobicContact CZ2-CG 3.99Å; W106-L146 WeakPolarHBondContact CZ2-O 3.17Å; W106-L146 PolarHBondContact NE1-O 2.93Å; W106-L146 VanDerWaalsContact NE1-O 3.17Å; E142-L146 WeakPolarHBondContact O-CB 3.3Å; E142-L146 PolarHBondContact O-N 3.09Å; I144-L146 VanDerWaalsContact C-N 3.33Å; I144-L146 PolarHBondContact O-N 3.42Å; L146-P150 WeakPolarHBondContact O-CD 3.08Å
147L82.3Confident83.3Confident108 Ų10860.2 Ų60.257%0.56532%0.317SS*.Hα-helixtrans-79.6-37.1177.4-71.9173.2000113.7W106 T143 I144 S145 Q149 P150W106-L147 HydrophobicContact CH2-CD2 3.63Å; W106-L147 HydrophobicContact CZ2-CD2 4.09Å; W106-L147 HydrophobicContact CZ3-CD2 4.49Å; T143-L147 WeakPolarHBondContact O-CG 3.35Å; T143-L147 PolarHBondContact O-N 3.22Å; I144-L147 PolarHBondContact O-N 3.27Å; I144-L147 VanDerWaalsContact O-N 3.16Å; S145-L147 VanDerWaalsContact C-N 3.27Å; S145-L147 PolarHBondContact O-N 3.02Å; L147-Q149 VanDerWaalsContact C-N 3.33Å; L147-P150 WeakPolarHBondContact O-CD 3.32Å; L147-P150 WeakPolarHBondContact O-CG 3.43Å
148I85.3Confident83.4Confident97 Ų9755.3 Ų55.350%0.49729%0.294SS..Hα-helixtrans-70.5-33.5-178.3-70.9174.4000111.1I144 S145 M151 A152I144-I148 HydrophobicContact CG2-CD1 3.46Å; I144-I148 VanDerWaalsContact CG2-CD1 3.46Å; I144-I148 HydrophobicContact CG2-CG1 4.1Å; I144-I148 WeakPolarHBondContact O-CG1 3.14Å; I144-I148 PolarHBondContact O-N 3.33Å; S145-I148 PolarHBondContact O-N 3.2Å; I148-M151 CarbonylContact O-C 3.57Å; I148-M151 WeakPolarHBondContact O-CA 3.09Å; I148-M151 WeakPolarHBondContact O-CB 3.2Å; I148-M151 PolarHBondContact O-N 3.49Å; I148-M151 VanDerWaalsContact O-N 3.1Å; I148-A152 HydrophobicContact CG2-CB 4.46Å; I148-A152 WeakPolarHBondContact O-CB 3.37Å; I148-A152 PolarHBondContact O-N 3.26Å
149Q82.8Confident83.4Confident73 Ų7355 Ų5534%0.34130%0.298SS..Hα-helixtrans-62.5-41.7-170-155.1-178.82.300115.2S145 L147 M151 A152 L153 Y218S145-Q149 WeakPolarHBondContact O-CB 3.06Å; S145-Q149 PolarHBondContact O-N 3.48Å; S145-Q149 VanDerWaalsContact O-N 3.15Å; L147-Q149 VanDerWaalsContact C-N 3.33Å; Q149-M151 VanDerWaalsContact C-N 3.34Å; Q149-M151 PolarHBondContact O-N 3.4Å; Q149-A152 PolarHBondContact O-N 3.33Å; Q149-L153 PolarHBondContact O-N 3.35Å; Q149-Y218 WeakPolarHBondContact CB-OH 3.41Å; Q149-Y218 WeakPolarHBondContact CG-OH 3.41Å; Q149-Y218 PolarHBondContact NE2-OH 3.22Å; Q149-Y218 VanDerWaalsContact OE1-CZ 3.23Å; Q149-Y218 PolarHBondContact OE1-OH 2.82Å
150P77.6Confident83.7Confident11 Ų1155.7 Ų55.77%0.07130%0.3CS..Hα-helixtrans-65.9-34.1171.325.7-35.9000112.9W106 L146 L147 L153 A154W106-P150 HydrophobicContact CB-CB 3.88Å; W106-P150 HydrophobicContact CB-CG 4.34Å; W106-P150 HydrophobicContact CD2-CB 4.37Å; W106-P150 HydrophobicContact CD2-CG 3.86Å; W106-P150 HydrophobicContact CG-CB 3.79Å; W106-P150 HydrophobicContact CG-CG 3.74Å; L146-P150 WeakPolarHBondContact O-CD 3.08Å; L147-P150 WeakPolarHBondContact O-CD 3.32Å; L147-P150 WeakPolarHBondContact O-CG 3.43Å; P150-L153 PolarHBondContact O-N 2.84Å; P150-A154 PolarHBondContact O-N 2.87Å; P150-A154 VanDerWaalsContact O-N 3.17Å
151M83.5Confident83.7Confident78 Ų7851.7 Ų51.738%0.38428%0.28SS..Hα-helixtrans-66.4-45.2174.8-172.866.3-174.800110.8L95 L99 I148 Q149 L153 A154 V155L95-M151 HydrophobicContact CD2-CE 4.16Å; L99-M151 HydrophobicContact CD1-SD 3.4Å; L99-M151 WeakPolarHBondContact CD1-SD 3.49Å; L99-M151 HydrophobicContact CD2-SD 4.2Å; L99-M151 HydrophobicContact CG-SD 4.44Å; I148-M151 CarbonylContact O-C 3.57Å; I148-M151 WeakPolarHBondContact O-CA 3.09Å; I148-M151 WeakPolarHBondContact O-CB 3.2Å; I148-M151 PolarHBondContact O-N 3.49Å; I148-M151 VanDerWaalsContact O-N 3.1Å; Q149-M151 VanDerWaalsContact C-N 3.34Å; Q149-M151 PolarHBondContact O-N 3.4Å; M151-L153 VanDerWaalsContact C-N 3.27Å; M151-L153 PolarHBondContact O-N 3.08Å; M151-A154 PolarHBondContact O-N 3.22Å; M151-V155 HydrophobicContact CE-CG2 4.07Å; M151-V155 HydrophobicContact CG-CG2 4.5Å; M151-V155 VanDerWaalsContact O-CG2 3.32Å; M151-V155 WeakPolarHBondContact O-CG2 3.32Å; M151-V155 PolarHBondContact O-N 3.04Å
152A85Confident83.7Confident40 Ų4049 Ų4933%0.33127%0.267SS..Hα-helixtrans-61.3-36.6177.800000111.9I148 Q149 R156I148-A152 HydrophobicContact CG2-CB 4.46Å; I148-A152 WeakPolarHBondContact O-CB 3.37Å; I148-A152 PolarHBondContact O-N 3.26Å; Q149-A152 PolarHBondContact O-N 3.33Å; A152-R156 VanDerWaalsContact O-CB 3.29Å; A152-R156 WeakPolarHBondContact O-CB 3.4Å; A152-R156 PolarHBondContact O-N 3.16Å
153L79.5Confident83.9Confident10 Ų1048.6 Ų48.65%0.05228%0.275CS..Hα-helixtrans-63.9-47.5175.1-169.181.3000112.1Q149 P150 M151 R156 L157 F211 L214Q149-L153 PolarHBondContact O-N 3.35Å; P150-L153 PolarHBondContact O-N 2.84Å; M151-L153 VanDerWaalsContact C-N 3.27Å; M151-L153 PolarHBondContact O-N 3.08Å; L153-R156 PolarHBondContact O-N 3.08Å; L153-L157 PolarHBondContact O-N 2.8Å; L153-F211 HydrophobicContact CD1-CB 4.46Å; L153-F211 HydrophobicContact CD1-CD2 4.14Å; L153-F211 HydrophobicContact CD1-CG 4.49Å; L153-F211 HydrophobicContact CD2-CB 4.45Å; L153-F211 HydrophobicContact CD2-CD1 4.12Å; L153-F211 HydrophobicContact CD2-CD2 3.18Å; L153-F211 HydrophobicContact CD2-CE1 4.12Å; L153-F211 HydrophobicContact CD2-CE2 3.17Å; L153-F211 HydrophobicContact CD2-CG 3.67Å; L153-F211 HydrophobicContact CD2-CZ 3.67Å; L153-F211 HydrophobicContact CG-CD2 3.42Å; L153-F211 VanDerWaalsContact CG-CD2 3.42Å; L153-F211 HydrophobicContact CG-CE2 3.7Å; L153-F211 HydrophobicContact CG-CG 4.14Å; L153-L214 HydrophobicContact CD1-CB 4.28Å; L153-L214 HydrophobicContact CD1-CD1 3.38Å; L153-L214 HydrophobicContact CD1-CG 4.45Å
154A82.6Confident84.2Confident0 Ų046.3 Ų46.30%026%0.262CS..Hα-helixtrans-62.8-44.7178.700000111.7L95 N98 L99 A102 P150 M151 L157 T158L95-A154 HydrophobicContact CD1-CB 4.43Å; N98-A154 HydrophobicContact CB-CB 3.93Å; N98-A154 PolarHBondContact ND2-O 2.86Å; L99-A154 HydrophobicContact CD1-CB 4.21Å; A102-A154 HydrophobicContact CB-CB 4.24Å; P150-A154 PolarHBondContact O-N 2.87Å; P150-A154 VanDerWaalsContact O-N 3.17Å; M151-A154 PolarHBondContact O-N 3.22Å; A154-L157 PolarHBondContact O-N 3.17Å; A154-T158 PolarHBondContact O-N 3.09Å; A154-T158 VanDerWaalsContact O-N 3.13Å; A154-T158 PolarHBondContact O-OG1 3.25Å
155V86.7Confident84.3Confident61 Ų6143.9 Ų43.937%0.3725%0.249SC..Hα-helixtrans-63.9-39.7177.1172.70000111.4L95 M151 L157 T158 A159L95-V155 HydrophobicContact CD1-CG2 3.88Å; M151-V155 HydrophobicContact CE-CG2 4.07Å; M151-V155 HydrophobicContact CG-CG2 4.5Å; M151-V155 VanDerWaalsContact O-CG2 3.32Å; M151-V155 WeakPolarHBondContact O-CG2 3.32Å; M151-V155 PolarHBondContact O-N 3.04Å; V155-L157 VanDerWaalsContact C-N 3.29Å; V155-L157 PolarHBondContact O-N 3.23Å; V155-T158 WeakPolarHBondContact CA-OG1 3.31Å; V155-T158 PolarHBondContact O-N 3.24Å; V155-T158 PolarHBondContact O-OG1 3.33Å; V155-A159 WeakPolarHBondContact O-CB 3.42Å; V155-A159 PolarHBondContact O-N 2.97Å
156R86.6Confident84.5Confident100 Ų10043.4 Ų43.438%0.37724%0.242SC..Hα-helixtrans-60-41.6177.2-169.6-173.9-59.7153.12.5111.4A152 L153 N160 Q207A152-R156 VanDerWaalsContact O-CB 3.29Å; A152-R156 WeakPolarHBondContact O-CB 3.4Å; A152-R156 PolarHBondContact O-N 3.16Å; L153-R156 PolarHBondContact O-N 3.08Å; R156-N160 WeakPolarHBondContact O-CB 3.33Å; R156-N160 VanDerWaalsContact O-CG 3.26Å; R156-N160 PolarHBondContact O-N 2.75Å; R156-N160 PolarHBondContact O-ND2 3.38Å; R156-Q207 VanDerWaalsContact C-NE2 3.34Å
157L81.2Confident84.8Confident1 Ų145.3 Ų45.31%0.00525%0.252CS..Hα-helixtrans-70.4-41.8-178.7-160.5133.5000111.6I76 T92 N98 L153 A154 V155 I161 Q207 F211I76-L157 HydrophobicContact CG2-CD1 3.63Å; T92-L157 HydrophobicContact CG2-CD2 3.98Å; N98-L157 WeakPolarHBondContact ND2-CD2 3.12Å; N98-L157 WeakPolarHBondContact OD1-CD2 3.41Å; L153-L157 PolarHBondContact O-N 2.8Å; A154-L157 PolarHBondContact O-N 3.17Å; V155-L157 VanDerWaalsContact C-N 3.29Å; V155-L157 PolarHBondContact O-N 3.23Å; L157-I161 HydrophobicContact CD2-CD1 3.77Å; L157-I161 HydrophobicContact CG-CD1 4.18Å; L157-I161 WeakPolarHBondContact O-CD1 3.07Å; L157-I161 WeakPolarHBondContact O-CG1 3.43Å; L157-I161 PolarHBondContact O-N 3.41Å; L157-Q207 VanDerWaalsContact CA-NE2 3.29Å; L157-Q207 HydrophobicContact CB-CG 4.14Å; L157-Q207 HydrophobicContact CD1-CG 3.64Å; L157-Q207 HydrophobicContact CG-CG 3.78Å; L157-Q207 VanDerWaalsContact N-NE2 3.12Å; L157-F211 HydrophobicContact CD1-CD2 4.18Å
158T84.8Confident85.2Confident14 Ų1441.6 Ų41.69%0.08623%0.232CC..Hα-helixtrans-65.4-46.9174.548.40000112.1L95 N98 A154 V155 N160 I161 T162L95-T158 VanDerWaalsContact CA-CG2 3.46Å; L95-T158 HydrophobicContact CB-CG2 4.05Å; L95-T158 HydrophobicContact CD1-CG2 4.05Å; N98-T158 HydrophobicContact CB-CG2 4.34Å; N98-T158 WeakPolarHBondContact ND2-CG2 3.39Å; N98-T158 PolarHBondContact ND2-N 3.39Å; A154-T158 PolarHBondContact O-N 3.09Å; A154-T158 VanDerWaalsContact O-N 3.13Å; A154-T158 PolarHBondContact O-OG1 3.25Å; V155-T158 WeakPolarHBondContact CA-OG1 3.31Å; V155-T158 PolarHBondContact O-N 3.24Å; V155-T158 PolarHBondContact O-OG1 3.33Å; T158-N160 PolarHBondContact O-N 3.11Å; T158-I161 PolarHBondContact O-N 2.98Å; T158-T162 VanDerWaalsContact O-CB 3.3Å; T158-T162 WeakPolarHBondContact O-CB 3.41Å; T158-T162 WeakPolarHBondContact O-CG2 3.26Å; T158-T162 PolarHBondContact O-N 2.7Å; T158-T162 PolarHBondContact O-OG1 3.41Å
159A84.4Confident85.4Confident41 Ų4141.2 Ų41.234%0.33923%0.228SC..Hα-helixtrans-62.6-45.5-172.700000111V155 T162 A163V155-A159 WeakPolarHBondContact O-CB 3.42Å; V155-A159 PolarHBondContact O-N 2.97Å; A159-T162 PolarHBondContact O-OG1 3Å; A159-T162 VanDerWaalsContact O-OG1 3.09Å; A159-A163 WeakPolarHBondContact O-CB 3.49Å; A159-A163 PolarHBondContact O-N 3Å
160N87.7Confident85.8Confident59 Ų5942 Ų4232%0.31623%0.234SC..Hα-helixtrans-62.6-49.2-179.9-68.9-6.1000111.6R156 T158 G164 V203R156-N160 WeakPolarHBondContact O-CB 3.33Å; R156-N160 VanDerWaalsContact O-CG 3.26Å; R156-N160 PolarHBondContact O-N 2.75Å; R156-N160 PolarHBondContact O-ND2 3.38Å; T158-N160 PolarHBondContact O-N 3.11Å; N160-G164 PolarHBondContact O-N 2.97Å; N160-V203 HydrophobicContact CB-CG1 4.04Å
161I84.5Confident86.5Confident6 Ų643 Ų433%0.03124%0.238CC..Hα-helixtrans-69.5-40.2-176.5-59.6171.1000111.6N80 T90 T92 T93 L157 T158 H165N80-I161 HydrophobicContact CB-CD1 4.31Å; N80-I161 VanDerWaalsContact CG-CD1 3.43Å; N80-I161 WeakPolarHBondContact OD1-CD1 3.35Å; T90-I161 HydrophobicContact CG2-CG2 4.33Å; T92-I161 WeakPolarHBondContact OG1-CD1 3.44Å; T93-I161 HydrophobicContact CG2-CB 4.37Å; T93-I161 HydrophobicContact CG2-CG2 3.67Å; L157-I161 HydrophobicContact CD2-CD1 3.77Å; L157-I161 HydrophobicContact CG-CD1 4.18Å; L157-I161 WeakPolarHBondContact O-CD1 3.07Å; L157-I161 WeakPolarHBondContact O-CG1 3.43Å; L157-I161 PolarHBondContact O-N 3.41Å; T158-I161 PolarHBondContact O-N 2.98Å; I161-H165 WeakPolarHBondContact O-CB 3.49Å; I161-H165 PolarHBondContact O-N 2.94Å; I161-H165 VanDerWaalsContact O-N 3.12Å
162T87Confident86.8Confident37 Ų3740.4 Ų40.423%0.22723%0.232CC..Hα-helixtrans-67.1-46.1177.254.30000112F6 T93 T158 A159 H165 L166F6-T162 HydrophobicContact CD1-CG2 4.49Å; F6-T162 HydrophobicContact CE1-CG2 4.14Å; T93-T162 HydrophobicContact CG2-CG2 3.74Å; T158-T162 VanDerWaalsContact O-CB 3.3Å; T158-T162 WeakPolarHBondContact O-CB 3.41Å; T158-T162 WeakPolarHBondContact O-CG2 3.26Å; T158-T162 PolarHBondContact O-N 2.7Å; T158-T162 PolarHBondContact O-OG1 3.41Å; A159-T162 PolarHBondContact O-OG1 3Å; A159-T162 VanDerWaalsContact O-OG1 3.09Å; T162-H165 PolarHBondContact O-N 3.19Å; T162-L166 WeakPolarHBondContact O-CB 3.37Å; T162-L166 WeakPolarHBondContact O-CG 3.32Å; T162-L166 PolarHBondContact O-N 3.16Å
163A87.1Confident87Confident55 Ų5541.3 Ų41.346%0.45524%0.236SC..Hα-helixtrans-64.8-42.517900000111.5A159 L166 L167A159-A163 WeakPolarHBondContact O-CB 3.49Å; A159-A163 PolarHBondContact O-N 3Å; A163-L166 PolarHBondContact O-N 3.47Å; A163-L167 VanDerWaalsContact O-CB 3.26Å; A163-L167 WeakPolarHBondContact O-CB 3.28Å; A163-L167 PolarHBondContact O-N 3.49Å
164G87.4Confident87.5Confident4 Ų442.6 Ų42.64%0.04125%0.248CC..Hα-helixtrans-59.1-47.9175.500000112.6N160 L167 M168 E200N160-G164 PolarHBondContact O-N 2.97Å; G164-L167 PolarHBondContact O-N 3.31Å; G164-M168 WeakPolarHBondContact O-CB 3.24Å; G164-M168 WeakPolarHBondContact O-CG 3.15Å; G164-M168 PolarHBondContact O-N 3.14Å; G164-E200 WeakPolarHBondContact CA-OE2 3.43Å
165H87.6Confident87.9Confident32 Ų3243.4 Ų43.415%0.14825%0.253CS..Hα-helixtrans-61.7-44.2175.6-100.3-84.8000113.5F6 G83 I161 T162 L167 M168 H169F6-H165 HydrophobicContact CE1-CB 4.18Å; F6-H165 HydrophobicContact CZ-CB 3.87Å; G83-H165 PolarHBondContact O-CE1 3.48Å; G83-H165 PolarHBondContact O-NE2 2.91Å; I161-H165 WeakPolarHBondContact O-CB 3.49Å; I161-H165 PolarHBondContact O-N 2.94Å; I161-H165 VanDerWaalsContact O-N 3.12Å; T162-H165 PolarHBondContact O-N 3.19Å; H165-L167 VanDerWaalsContact C-N 3.34Å; H165-L167 PolarHBondContact O-N 2.86Å; H165-M168 PolarHBondContact O-N 3.19Å; H165-H169 PolarHBondContact O-N 3.12Å
166L88.1Confident88.1Confident43 Ų4346.5 Ų46.523%0.22527%0.267CS..Hα-helixtrans-61.7-43.5175.9-77.2170.4000111.4L2 F3 F6 T162 A163 H169 L170L2-L166 HydrophobicContact CB-CD2 4.36Å; F3-L166 HydrophobicContact CD1-CD2 4.4Å; F3-L166 HydrophobicContact CE1-CD1 4.16Å; F3-L166 HydrophobicContact CE1-CD2 4.04Å; F3-L166 HydrophobicContact CZ-CD2 4.45Å; F6-L166 HydrophobicContact CE2-CD1 4.48Å; F6-L166 HydrophobicContact CE2-CD2 3.72Å; F6-L166 HydrophobicContact CE2-CG 3.82Å; F6-L166 HydrophobicContact CZ-CD2 4.34Å; F6-L166 HydrophobicContact CZ-CG 3.97Å; T162-L166 WeakPolarHBondContact O-CB 3.37Å; T162-L166 WeakPolarHBondContact O-CG 3.32Å; T162-L166 PolarHBondContact O-N 3.16Å; A163-L166 PolarHBondContact O-N 3.47Å; L166-H169 PolarHBondContact O-N 2.89Å; L166-L170 WeakPolarHBondContact O-CB 3.48Å; L166-L170 VanDerWaalsContact O-CG 3.32Å; L166-L170 WeakPolarHBondContact O-CG 3.31Å; L166-L170 PolarHBondContact O-N 3.32Å
167L89.9Confident88.3Confident82 Ų8244 Ų4443%0.42927%0.267SS..Hα-helixtrans-65.1-44179.4-169.375.5000111.3A163 G164 H165 H169 L170 I171 L196A163-L167 VanDerWaalsContact O-CB 3.26Å; A163-L167 WeakPolarHBondContact O-CB 3.28Å; A163-L167 PolarHBondContact O-N 3.49Å; G164-L167 PolarHBondContact O-N 3.31Å; H165-L167 VanDerWaalsContact C-N 3.34Å; H165-L167 PolarHBondContact O-N 2.86Å; L167-H169 VanDerWaalsContact C-N 3.33Å; L167-H169 PolarHBondContact O-N 3.36Å; L167-L170 PolarHBondContact O-N 3.43Å; L167-I171 HydrophobicContact CD1-CD1 4.42Å; L167-I171 HydrophobicContact CG-CD1 4.02Å; L167-I171 WeakPolarHBondContact O-CG1 3.28Å; L167-I171 PolarHBondContact O-N 2.97Å; L167-L196 HydrophobicContact CB-CD2 4.04Å; L167-L196 HydrophobicContact CD2-CD1 3.46Å; L167-L196 VanDerWaalsContact CD2-CD1 3.46Å; L167-L196 HydrophobicContact CD2-CD2 3.44Å; L167-L196 VanDerWaalsContact CD2-CD2 3.44Å; L167-L196 HydrophobicContact CD2-CG 4.1Å; L167-L196 HydrophobicContact CG-CD2 3.6Å
168M90.6Very high88.6Confident29 Ų2946.8 Ų46.814%0.14328%0.281CS..Hα-helixtrans-60.2-42.1174.6-74.1-172.8-68.100111.7L84 G164 H165 G172 L196 T197 E200L84-M168 HydrophobicContact CD2-CE 4.05Å; G164-M168 WeakPolarHBondContact O-CB 3.24Å; G164-M168 WeakPolarHBondContact O-CG 3.15Å; G164-M168 PolarHBondContact O-N 3.14Å; H165-M168 PolarHBondContact O-N 3.19Å; M168-G172 PolarHBondContact O-N 3.12Å; M168-L196 HydrophobicContact CB-CD2 4.5Å; M168-L196 HydrophobicContact CG-CD2 3.72Å; M168-L196 HydrophobicContact CG-CG 4.14Å; M168-T197 HydrophobicContact SD-CG2 3.88Å; M168-E200 HydrophobicContact CE-CG 4.18Å
169H89.9Confident88.8Confident90 Ų9049.1 Ų49.142%0.41730%0.298SS..Hα-helixtrans-68.5-40.3177.4-170.9-50.6000112.1L2 H165 L166 L167 G172 S173L2-H169 HydrophobicContact CD2-CB 4.16Å; L2-H169 WeakPolarHBondContact CD2-ND1 3.13Å; H165-H169 PolarHBondContact O-N 3.12Å; L166-H169 PolarHBondContact O-N 2.89Å; L167-H169 VanDerWaalsContact C-N 3.33Å; L167-H169 PolarHBondContact O-N 3.36Å; H169-G172 PolarHBondContact O-N 2.89Å; H169-S173 WeakPolarHBondContact O-CB 3.48Å; H169-S173 PolarHBondContact O-N 3.37Å; H169-S173 PolarHBondContact O-OG 3.37Å
170L90.4Very high88.9Confident89 Ų8952.8 Ų52.847%0.46632%0.316SS..Hα-helixtrans-63.4-49.1178.1-75.8171000111L2 L166 L167 G172 S173 A174L2-L170 HydrophobicContact CD1-CD2 3.98Å; L2-L170 HydrophobicContact CD2-CD2 4.1Å; L2-L170 HydrophobicContact CD2-CG 4.41Å; L166-L170 WeakPolarHBondContact O-CB 3.48Å; L166-L170 VanDerWaalsContact O-CG 3.32Å; L166-L170 WeakPolarHBondContact O-CG 3.31Å; L166-L170 PolarHBondContact O-N 3.32Å; L167-L170 PolarHBondContact O-N 3.43Å; L170-G172 VanDerWaalsContact C-N 3.34Å; L170-G172 PolarHBondContact O-N 2.93Å; L170-S173 PolarHBondContact O-N 2.87Å; L170-S173 PolarHBondContact O-OG 3.31Å; L170-A174 PolarHBondContact O-N 3.32Å
171I91.7Very high89Confident31 Ų3155 Ų5516%0.15933%0.327CS..Hα-helixtrans-64.9-40.5177.6-64.4171000110.4L167 S173 A174 T175 I189 I192 L193 L196L167-I171 HydrophobicContact CD1-CD1 4.42Å; L167-I171 HydrophobicContact CG-CD1 4.02Å; L167-I171 WeakPolarHBondContact O-CG1 3.28Å; L167-I171 PolarHBondContact O-N 2.97Å; I171-S173 VanDerWaalsContact C-N 3.32Å; I171-S173 PolarHBondContact O-N 3.4Å; I171-A174 CarbonylContact O-C 3.59Å; I171-A174 WeakPolarHBondContact O-CB 3.49Å; I171-A174 PolarHBondContact O-N 3.18Å; I171-A174 VanDerWaalsContact O-N 3.13Å; I171-T175 HydrophobicContact CG2-CG2 4.42Å; I171-T175 WeakPolarHBondContact O-CG2 3.44Å; I171-T175 PolarHBondContact O-N 3.01Å; I171-T175 PolarHBondContact O-OG1 2.98Å; I171-I189 HydrophobicContact CG2-CG2 3.8Å; I171-I192 HydrophobicContact CD1-CG2 4.34Å; I171-L193 HydrophobicContact CB-CD1 4.24Å; I171-L193 HydrophobicContact CG2-CB 3.97Å; I171-L193 HydrophobicContact CG2-CD1 4.02Å; I171-L196 HydrophobicContact CD1-CD2 3.72Å
172G90.5Very high89.1Confident24 Ų2459.2 Ų59.225%0.24735%0.349CS..Hα-helixtrans-62.2-35.3174.800000113.7M168 H169 L170 T175 L176M168-G172 PolarHBondContact O-N 3.12Å; H169-G172 PolarHBondContact O-N 2.89Å; L170-G172 VanDerWaalsContact C-N 3.34Å; L170-G172 PolarHBondContact O-N 2.93Å; G172-T175 WeakPolarHBondContact CA-OG1 3.32Å; G172-T175 PolarHBondContact O-OG1 2.86Å; G172-L176 PolarHBondContact O-N 3.45Å
173S89.8Confident89.2Confident59 Ų5964.4 Ų64.441%0.41338%0.375SS..Hα-helixtrans-71.5-35.1173700000112.1H169 L170 I171 L176 A177H169-S173 WeakPolarHBondContact O-CB 3.48Å; H169-S173 PolarHBondContact O-N 3.37Å; H169-S173 PolarHBondContact O-OG 3.37Å; L170-S173 PolarHBondContact O-N 2.87Å; L170-S173 PolarHBondContact O-OG 3.31Å; I171-S173 VanDerWaalsContact C-N 3.32Å; I171-S173 PolarHBondContact O-N 3.4Å; S173-L176 PolarHBondContact O-N 2.98Å; S173-A177 WeakPolarHBondContact O-CB 3.35Å; S173-A177 PolarHBondContact O-N 3.16Å
174A89.2Confident89.3Confident37 Ų3766.3 Ų66.331%0.30638%0.382SS..Hα-helixtrans-69-41.5175.800000111.9L170 I171 L176 A177 M178L170-A174 PolarHBondContact O-N 3.32Å; I171-A174 CarbonylContact O-C 3.59Å; I171-A174 WeakPolarHBondContact O-CB 3.49Å; I171-A174 PolarHBondContact O-N 3.18Å; I171-A174 VanDerWaalsContact O-N 3.13Å; A174-L176 VanDerWaalsContact C-N 3.3Å; A174-L176 PolarHBondContact O-N 3.48Å; A174-A177 PolarHBondContact O-N 3.43Å; A174-M178 WeakPolarHBondContact O-CB 3.3Å; A174-M178 VanDerWaalsContact O-CG 3.22Å; A174-M178 WeakPolarHBondContact O-CG 3.26Å; A174-M178 PolarHBondContact O-N 2.62Å
175T91.4Very high89.3Confident18 Ų1867.8 Ų67.811%0.1139%0.392CS..Hα-helixtrans-60.4-42.2174.255.80000111I171 G172 M178 S179 I189I171-T175 HydrophobicContact CG2-CG2 4.42Å; I171-T175 WeakPolarHBondContact O-CG2 3.44Å; I171-T175 PolarHBondContact O-N 3.01Å; I171-T175 PolarHBondContact O-OG1 2.98Å; G172-T175 WeakPolarHBondContact CA-OG1 3.32Å; G172-T175 PolarHBondContact O-OG1 2.86Å; T175-M178 PolarHBondContact O-N 3.1Å; T175-S179 WeakPolarHBondContact O-CB 3.45Å; T175-S179 PolarHBondContact O-N 3.4Å; T175-I189 HydrophobicContact CG2-CB 3.86Å; T175-I189 HydrophobicContact CG2-CG2 3.36Å
176L90.6Very high89.5Confident126 Ų12667.5 Ų67.566%0.6639%0.393SS*.Hα-helixtrans-66.8-41.4179.4-162.8143.2000111.5G172 S173 A174 S179G172-L176 PolarHBondContact O-N 3.45Å; S173-L176 PolarHBondContact O-N 2.98Å; A174-L176 VanDerWaalsContact C-N 3.3Å; A174-L176 PolarHBondContact O-N 3.48Å; L176-S179 PolarHBondContact O-N 3.22Å; L176-S179 PolarHBondContact O-OG 3.03Å
177A89.7Confident89.7Confident46 Ų4671.1 Ų71.138%0.3841%0.412SS..Hα-helixtrans-64-46.1174.600000112.2S173 A174 S179 T180S173-A177 WeakPolarHBondContact O-CB 3.35Å; S173-A177 PolarHBondContact O-N 3.16Å; A174-A177 PolarHBondContact O-N 3.43Å; A177-S179 VanDerWaalsContact C-N 3.27Å; A177-S179 PolarHBondContact O-N 3.28Å; A177-T180 PolarHBondContact O-N 2.88Å; A177-T180 PolarHBondContact O-OG1 3.33Å
178M88.3Confident89.8Confident61 Ų6172.1 Ų72.130%0.342%0.416SS..Hα-helixtrans-69.5-24-178.9-66.9-61.210900113.3A174 T175 T180 I181 N182 T186 I189A174-M178 WeakPolarHBondContact O-CB 3.3Å; A174-M178 VanDerWaalsContact O-CG 3.22Å; A174-M178 WeakPolarHBondContact O-CG 3.26Å; A174-M178 PolarHBondContact O-N 2.62Å; T175-M178 PolarHBondContact O-N 3.1Å; M178-T180 PolarHBondContact O-N 3.14Å; M178-I181 HydrophobicContact CE-CD1 3.6Å; M178-I181 PolarHBondContact O-N 3.35Å; M178-I181 HydrophobicContact SD-CD1 4.19Å; M178-N182 PolarHBondContact O-N 2.93Å; M178-T186 PolarHBondContact O-OG1 3.21Å; M178-T186 VanDerWaalsContact O-OG1 3.08Å; M178-I189 HydrophobicContact CB-CD1 4.18Å; M178-I189 HydrophobicContact CG-CD1 3.65Å
179S88.3Confident90Very high63 Ų6372.7 Ų72.744%0.44142%0.42SS..Hα-helixtrans-58.6-29.3177.176.40000112.9T175 L176 A177 T186T175-S179 WeakPolarHBondContact O-CB 3.45Å; T175-S179 PolarHBondContact O-N 3.4Å; L176-S179 PolarHBondContact O-N 3.22Å; L176-S179 PolarHBondContact O-OG 3.03Å; A177-S179 VanDerWaalsContact C-N 3.27Å; A177-S179 PolarHBondContact O-N 3.28Å; S179-T186 VanDerWaalsContact CA-OG1 3.28Å; S179-T186 WeakPolarHBondContact CA-OG1 3.08Å; S179-T186 PolarHBondContact N-OG1 3.39Å
180T88.1Confident90.1Very high118 Ų11873.6 Ų73.672%0.72442%0.423SS*.THydrogen-bonded Turntrans-82.3-18.1178.267.10000113.6A177 M178A177-T180 PolarHBondContact O-N 2.88Å; A177-T180 PolarHBondContact O-OG1 3.33Å; M178-T180 PolarHBondContact O-N 3.14Å
181I88.2Confident90.3Very high105 Ų10572.9 Ų72.954%0.53842%0.422SS..THydrogen-bonded Turntrans-100.7-60.9-172.6-56.4172.8000110.2M178M178-I181 HydrophobicContact CE-CD1 3.6Å; M178-I181 PolarHBondContact O-N 3.35Å; M178-I181 HydrophobicContact SD-CD1 4.19Å
182N88.6Confident90.4Very high95 Ų9575.4 Ų75.451%0.50844%0.435SS..  trans-146.2117-172.2-83.4-22.4000111.9M178 S185 T186M178-N182 PolarHBondContact O-N 2.93Å; N182-S185 WeakPolarHBondContact CB-OG 3.49Å; N182-S185 PolarHBondContact O-N 3.2Å; N182-S185 PolarHBondContact O-OG 2.98Å; N182-T186 PolarHBondContact O-N 3.18Å; N182-T186 PolarHBondContact O-OG1 3.13Å
183L87.9Confident90.5Very high145 Ų14575.7 Ų75.776%0.75943%0.431SS*.Hα-helixtrans-56.5-46.3177.5-155.895000114.8S185 T186 L187L183-S185 PolarHBondContact O-N 3.37Å; L183-T186 WeakPolarHBondContact O-CB 3.24Å; L183-T186 PolarHBondContact O-N 3.37Å; L183-L187 PolarHBondContact O-N 2.97Å; L183-L187 VanDerWaalsContact O-N 3.15Å
184P89.5Confident90.7Very high95 Ų9576.6 Ų76.662%0.61743%0.43SS*.Hα-helixtrans-67.3-36.5-176.724.8-33.3000112.5T186 L187 I188P184-T186 VanDerWaalsContact C-N 3.32Å; P184-T186 PolarHBondContact O-N 3.03Å; P184-L187 PolarHBondContact O-N 2.73Å; P184-I188 PolarHBondContact O-N 3.45Å
185S87.6Confident90.9Very high36 Ų3680.5 Ų80.525%0.25245%0.445SS..Hα-helixtrans-66.4-35.6175.470.40000112.2N182 L183 L187 I188 I189N182-S185 WeakPolarHBondContact CB-OG 3.49Å; N182-S185 PolarHBondContact O-N 3.2Å; N182-S185 PolarHBondContact O-OG 2.98Å; L183-S185 PolarHBondContact O-N 3.37Å; S185-L187 VanDerWaalsContact C-N 3.33Å; S185-L187 PolarHBondContact O-N 2.86Å; S185-I188 PolarHBondContact O-N 3.48Å; S185-I189 WeakPolarHBondContact O-CG1 3.5Å; S185-I189 PolarHBondContact O-N 3.43Å; S185-I189 VanDerWaalsContact O-N 3.13Å
186T92.2Very high91Very high25 Ų2580.5 Ų80.515%0.15345%0.445CS..Hα-helixtrans-63.5-41176.4-58.20000111.2M178 S179 N182 L183 P184 I188 I189 F190M178-T186 PolarHBondContact O-OG1 3.21Å; M178-T186 VanDerWaalsContact O-OG1 3.08Å; S179-T186 VanDerWaalsContact CA-OG1 3.28Å; S179-T186 WeakPolarHBondContact CA-OG1 3.08Å; S179-T186 PolarHBondContact N-OG1 3.39Å; N182-T186 PolarHBondContact O-N 3.18Å; N182-T186 PolarHBondContact O-OG1 3.13Å; L183-T186 WeakPolarHBondContact O-CB 3.24Å; L183-T186 PolarHBondContact O-N 3.37Å; P184-T186 VanDerWaalsContact C-N 3.32Å; P184-T186 PolarHBondContact O-N 3.03Å; T186-I188 VanDerWaalsContact C-N 3.3Å; T186-I188 PolarHBondContact O-N 3.33Å; T186-I189 PolarHBondContact O-N 2.99Å; T186-F190 VanDerWaalsContact O-CB 3.24Å; T186-F190 WeakPolarHBondContact O-CB 3.08Å; T186-F190 PolarHBondContact O-N 2.95Å
187L91.6Very high91.1Very high119 Ų11977 Ų7762%0.62343%0.428SS*.Hα-helixtrans-60.1-42.2177.8-157.195.6000111.3L183 P184 S185 F190 T191L183-L187 PolarHBondContact O-N 2.97Å; L183-L187 VanDerWaalsContact O-N 3.15Å; P184-L187 PolarHBondContact O-N 2.73Å; S185-L187 VanDerWaalsContact C-N 3.33Å; S185-L187 PolarHBondContact O-N 2.86Å; L187-F190 PolarHBondContact O-N 3.44Å; L187-T191 WeakPolarHBondContact O-CG2 3.36Å; L187-T191 PolarHBondContact O-N 3.38Å; L187-T191 PolarHBondContact O-OG1 3Å
188I92.9Very high91.2Very high103 Ų10379.7 Ų79.753%0.52844%0.435SS..Hα-helixtrans-64.9-44.8178.6-62.4165.1000111.2P184 S185 T186 F190 T191 I192P184-I188 PolarHBondContact O-N 3.45Å; S185-I188 PolarHBondContact O-N 3.48Å; T186-I188 VanDerWaalsContact C-N 3.3Å; T186-I188 PolarHBondContact O-N 3.33Å; I188-F190 VanDerWaalsContact C-N 3.3Å; I188-F190 PolarHBondContact O-N 2.86Å; I188-T191 PolarHBondContact O-N 3.23Å; I188-T191 PolarHBondContact O-OG1 2.88Å; I188-I192 HydrophobicContact CG2-CD1 4.32Å; I188-I192 WeakPolarHBondContact O-CG1 3.02Å; I188-I192 PolarHBondContact O-N 3.45Å
189I93.3Very high91.4Very high42 Ų4281.6 Ų81.622%0.21545%0.446CS..Hα-helixtrans-70.6-33.2179.9-56.6167.7000110.3I171 T175 M178 S185 T186 I192 L193I171-I189 HydrophobicContact CG2-CG2 3.8Å; T175-I189 HydrophobicContact CG2-CB 3.86Å; T175-I189 HydrophobicContact CG2-CG2 3.36Å; M178-I189 HydrophobicContact CB-CD1 4.18Å; M178-I189 HydrophobicContact CG-CD1 3.65Å; S185-I189 WeakPolarHBondContact O-CG1 3.5Å; S185-I189 PolarHBondContact O-N 3.43Å; S185-I189 VanDerWaalsContact O-N 3.13Å; T186-I189 PolarHBondContact O-N 2.99Å; I189-I192 WeakPolarHBondContact O-CB 3.27Å; I189-I192 PolarHBondContact O-N 3.41Å; I189-L193 PolarHBondContact O-N 3.48Å
190F92.8Very high91.5Very high108 Ų10879.2 Ų79.247%0.47443%0.428SS..Hα-helixtrans-66.7-39.2175.3-173.9-106.2000112.6T186 L187 I188 I192 L193 I194T186-F190 VanDerWaalsContact O-CB 3.24Å; T186-F190 WeakPolarHBondContact O-CB 3.08Å; T186-F190 PolarHBondContact O-N 2.95Å; L187-F190 PolarHBondContact O-N 3.44Å; I188-F190 VanDerWaalsContact C-N 3.3Å; I188-F190 PolarHBondContact O-N 2.86Å; F190-I192 VanDerWaalsContact C-N 3.32Å; F190-I192 PolarHBondContact O-N 2.96Å; F190-L193 HydrophobicContact CD2-CD2 4.43Å; F190-L193 WeakPolarHBondContact O-CB 3.44Å; F190-L193 PolarHBondContact O-N 3.31Å; F190-I194 HydrophobicContact CD1-CD1 3.84Å; F190-I194 HydrophobicContact CE1-CD1 3.49Å; F190-I194 VanDerWaalsContact CE1-CD1 3.49Å; F190-I194 HydrophobicContact CE1-CG1 4.26Å; F190-I194 HydrophobicContact CZ-CD1 4.1Å; F190-I194 HydrophobicContact CZ-CG1 4.45Å; F190-I194 PolarHBondContact O-N 3.44Å
191T93.7Very high91.6Very high75 Ų7577.6 Ų77.646%0.4641%0.414SS..Hα-helixtrans-64.8-37.5173.356.80000111.7L187 I188 L193 I194 L195L187-T191 WeakPolarHBondContact O-CG2 3.36Å; L187-T191 PolarHBondContact O-N 3.38Å; L187-T191 PolarHBondContact O-OG1 3Å; I188-T191 PolarHBondContact O-N 3.23Å; I188-T191 PolarHBondContact O-OG1 2.88Å; T191-L193 VanDerWaalsContact C-N 3.35Å; T191-I194 PolarHBondContact O-N 3.14Å; T191-L195 PolarHBondContact O-N 3.45Å
192I94.4Very high91.8Very high84 Ų8474.7 Ų74.743%0.43141%0.406SS..Hα-helixtrans-61.9-42.3172.8-66.1166.5000111I171 I188 I189 F190 I194 L195 L196I171-I192 HydrophobicContact CD1-CG2 4.34Å; I188-I192 HydrophobicContact CG2-CD1 4.32Å; I188-I192 WeakPolarHBondContact O-CG1 3.02Å; I188-I192 PolarHBondContact O-N 3.45Å; I189-I192 WeakPolarHBondContact O-CB 3.27Å; I189-I192 PolarHBondContact O-N 3.41Å; F190-I192 VanDerWaalsContact C-N 3.32Å; F190-I192 PolarHBondContact O-N 2.96Å; I192-I194 PolarHBondContact O-N 3.12Å; I192-L195 PolarHBondContact O-N 3.06Å; I192-L196 WeakPolarHBondContact O-CB 3.23Å; I192-L196 PolarHBondContact O-N 3.36Å
193L93.3Very high91.9Very high30 Ų3072 Ų7216%0.15739%0.393CS..Hα-helixtrans-59.5-46.2176.2-177.766.9000111.4I171 I189 F190 T191 L195 L196 T197I171-L193 HydrophobicContact CB-CD1 4.24Å; I171-L193 HydrophobicContact CG2-CB 3.97Å; I171-L193 HydrophobicContact CG2-CD1 4.02Å; I189-L193 PolarHBondContact O-N 3.48Å; F190-L193 HydrophobicContact CD2-CD2 4.43Å; F190-L193 WeakPolarHBondContact O-CB 3.44Å; F190-L193 PolarHBondContact O-N 3.31Å; T191-L193 VanDerWaalsContact C-N 3.35Å; L193-L195 PolarHBondContact O-N 3.37Å; L193-L196 PolarHBondContact O-N 3.19Å; L193-T197 WeakPolarHBondContact O-CG2 3.24Å; L193-T197 PolarHBondContact O-N 2.9Å
194I92.8Very high92Very high77 Ų7765.4 Ų65.440%0.39536%0.359SS..Hα-helixtrans-59.4-48.3176.3-67.6165.6000110.4F190 T191 I192 L196 T197 I198F190-I194 HydrophobicContact CD1-CD1 3.84Å; F190-I194 HydrophobicContact CE1-CD1 3.49Å; F190-I194 VanDerWaalsContact CE1-CD1 3.49Å; F190-I194 HydrophobicContact CE1-CG1 4.26Å; F190-I194 HydrophobicContact CZ-CD1 4.1Å; F190-I194 HydrophobicContact CZ-CG1 4.45Å; F190-I194 PolarHBondContact O-N 3.44Å; T191-I194 PolarHBondContact O-N 3.14Å; I192-I194 PolarHBondContact O-N 3.12Å; I194-L196 VanDerWaalsContact C-N 3.26Å; I194-L196 PolarHBondContact O-N 3.43Å; I194-T197 PolarHBondContact O-N 3.03Å; I194-T197 VanDerWaalsContact O-N 3.15Å; I194-T197 PolarHBondContact O-OG1 3.11Å; I194-I198 HydrophobicContact CG2-CD1 4.11Å; I194-I198 WeakPolarHBondContact O-CG1 3.43Å; I194-I198 PolarHBondContact O-N 2.98Å; I194-I198 VanDerWaalsContact O-N 3.13Å
195L94.7Very high91.9Very high120 Ų12066.2 Ų66.263%0.62836%0.358SS*.Hα-helixtrans-59.6-40.3179.1-17663.2000111.7T191 I192 L193 I198 L199T191-L195 PolarHBondContact O-N 3.45Å; I192-L195 PolarHBondContact O-N 3.06Å; L193-L195 PolarHBondContact O-N 3.37Å; L195-I198 PolarHBondContact O-N 3.04Å; L195-L199 PolarHBondContact O-N 2.94Å
196L93.2Very high92.1Very high18 Ų1869.2 Ų69.29%0.09437%0.37CS..Hα-helixtrans-64-41.8176.7-179.764.6000112.1L167 M168 I171 I192 L193 I194 I198 L199 E200L167-L196 HydrophobicContact CB-CD2 4.04Å; L167-L196 HydrophobicContact CD2-CD1 3.46Å; L167-L196 VanDerWaalsContact CD2-CD1 3.46Å; L167-L196 HydrophobicContact CD2-CD2 3.44Å; L167-L196 VanDerWaalsContact CD2-CD2 3.44Å; L167-L196 HydrophobicContact CD2-CG 4.1Å; L167-L196 HydrophobicContact CG-CD2 3.6Å; M168-L196 HydrophobicContact CB-CD2 4.5Å; M168-L196 HydrophobicContact CG-CD2 3.72Å; M168-L196 HydrophobicContact CG-CG 4.14Å; I171-L196 HydrophobicContact CD1-CD2 3.72Å; I192-L196 WeakPolarHBondContact O-CB 3.23Å; I192-L196 PolarHBondContact O-N 3.36Å; L193-L196 PolarHBondContact O-N 3.19Å; I194-L196 VanDerWaalsContact C-N 3.26Å; I194-L196 PolarHBondContact O-N 3.43Å; L196-I198 VanDerWaalsContact C-N 3.28Å; L196-I198 PolarHBondContact O-N 3.34Å; L196-L199 HydrophobicContact CD1-CD2 4.26Å; L196-L199 WeakPolarHBondContact O-CB 3.36Å; L196-L199 PolarHBondContact O-N 3.48Å; L196-E200 PolarHBondContact O-N 2.88Å
197T91.4Very high91.9Very high51 Ų5168.5 Ų68.531%0.31337%0.365SS..Hα-helixtrans-61.5-38.1177610000112M168 L193 I194 E200 I201M168-T197 HydrophobicContact SD-CG2 3.88Å; L193-T197 WeakPolarHBondContact O-CG2 3.24Å; L193-T197 PolarHBondContact O-N 2.9Å; I194-T197 PolarHBondContact O-N 3.03Å; I194-T197 VanDerWaalsContact O-N 3.15Å; I194-T197 PolarHBondContact O-OG1 3.11Å; T197-E200 PolarHBondContact O-N 2.83Å; T197-I201 VanDerWaalsContact O-CG1 3.28Å; T197-I201 WeakPolarHBondContact O-CG1 3.45Å; T197-I201 PolarHBondContact O-N 2.93Å
198I92.6Very high91.8Very high103 Ų10362.9 Ų62.953%0.52834%0.336SS..Hα-helixtrans-65.5-43.5176.3-65.3167.4000110.4I194 L195 L196 E200 I201 A202I194-I198 HydrophobicContact CG2-CD1 4.11Å; I194-I198 WeakPolarHBondContact O-CG1 3.43Å; I194-I198 PolarHBondContact O-N 2.98Å; I194-I198 VanDerWaalsContact O-N 3.13Å; L195-I198 PolarHBondContact O-N 3.04Å; L196-I198 VanDerWaalsContact C-N 3.28Å; L196-I198 PolarHBondContact O-N 3.34Å; I198-E200 VanDerWaalsContact C-N 3.33Å; I198-E200 PolarHBondContact O-N 3.24Å; I198-I201 PolarHBondContact O-N 2.91Å; I198-A202 PolarHBondContact O-N 2.63Å; I198-A202 VanDerWaalsContact O-N 3.14Å
199L91.8Very high91.6Very high102 Ų10262.8 Ų62.853%0.53433%0.329SS..Hα-helixtrans-59.3-45.7175.7179.766.5000111.1L195 L196 I201 A202 V203L195-L199 PolarHBondContact O-N 2.94Å; L196-L199 HydrophobicContact CD1-CD2 4.26Å; L196-L199 WeakPolarHBondContact O-CB 3.36Å; L196-L199 PolarHBondContact O-N 3.48Å; L199-I201 PolarHBondContact O-N 2.94Å; L199-A202 WeakPolarHBondContact O-CB 3.32Å; L199-A202 PolarHBondContact O-N 3.46Å; L199-A202 VanDerWaalsContact O-N 3.12Å; L199-V203 HydrophobicContact CD1-CG2 4.36Å; L199-V203 HydrophobicContact CG-CG2 4.35Å; L199-V203 WeakPolarHBondContact O-CG2 3.46Å; L199-V203 PolarHBondContact O-N 3.22Å
200E90.8Very high91.4Very high12 Ų1262.8 Ų62.86%0.05633%0.331CS..Hα-helixtrans-66.7-37.2-177.1-162.865.3-161.700112.1L84 G164 M168 L196 T197 I198 A202 V203 A204L84-E200 HydrophobicContact CD1-CG 4.38Å; L84-E200 HydrophobicContact CD2-CB 4.21Å; L84-E200 HydrophobicContact CD2-CG 3.38Å; G164-E200 WeakPolarHBondContact CA-OE2 3.43Å; M168-E200 HydrophobicContact CE-CG 4.18Å; L196-E200 PolarHBondContact O-N 2.88Å; T197-E200 PolarHBondContact O-N 2.83Å; I198-E200 VanDerWaalsContact C-N 3.33Å; I198-E200 PolarHBondContact O-N 3.24Å; E200-A202 VanDerWaalsContact C-N 3.31Å; E200-A202 PolarHBondContact O-N 2.83Å; E200-V203 PolarHBondContact O-N 3.07Å; E200-A204 VanDerWaalsContact O-CB 3.3Å; E200-A204 WeakPolarHBondContact O-CB 3.5Å; E200-A204 PolarHBondContact O-N 3.44Å
201I90.8Very high91.1Very high84 Ų8457.7 Ų57.743%0.43131%0.309SS..Hα-helixtrans-59.7-43.4171.6-67.3164.6000110.7L84 T197 I198 L199 L205L84-I201 HydrophobicContact CD1-CB 4.2Å; L84-I201 HydrophobicContact CD1-CG1 3.6Å; T197-I201 VanDerWaalsContact O-CG1 3.28Å; T197-I201 WeakPolarHBondContact O-CG1 3.45Å; T197-I201 PolarHBondContact O-N 2.93Å; I198-I201 PolarHBondContact O-N 2.91Å; L199-I201 PolarHBondContact O-N 2.94Å; I201-L205 PolarHBondContact O-N 2.78Å
202A91.6Very high90.9Very high45 Ų4554.1 Ų54.137%0.37229%0.287SS..Hα-helixtrans-65.2-45.8177.500000111.7I198 L199 E200 A204 L205 I206I198-A202 PolarHBondContact O-N 2.63Å; I198-A202 VanDerWaalsContact O-N 3.14Å; L199-A202 WeakPolarHBondContact O-CB 3.32Å; L199-A202 PolarHBondContact O-N 3.46Å; L199-A202 VanDerWaalsContact O-N 3.12Å; E200-A202 VanDerWaalsContact C-N 3.31Å; E200-A202 PolarHBondContact O-N 2.83Å; A202-A204 VanDerWaalsContact C-N 3.34Å; A202-A204 PolarHBondContact O-N 2.9Å; A202-L205 PolarHBondContact O-N 3.36Å; A202-I206 WeakPolarHBondContact O-CB 3.46Å; A202-I206 VanDerWaalsContact O-CG1 3.27Å; A202-I206 WeakPolarHBondContact O-CG1 3.46Å; A202-I206 PolarHBondContact O-N 3.44Å
203V91.4Very high90.5Very high39 Ų3952.8 Ų52.824%0.23628%0.28CS..Hα-helixtrans-61-42.4177.71730000111.1N160 L199 E200 L205 I206 Q207N160-V203 HydrophobicContact CB-CG1 4.04Å; L199-V203 HydrophobicContact CD1-CG2 4.36Å; L199-V203 HydrophobicContact CG-CG2 4.35Å; L199-V203 WeakPolarHBondContact O-CG2 3.46Å; L199-V203 PolarHBondContact O-N 3.22Å; E200-V203 PolarHBondContact O-N 3.07Å; V203-L205 VanDerWaalsContact C-N 3.33Å; V203-L205 PolarHBondContact O-N 3.36Å; V203-I206 PolarHBondContact O-N 2.95Å; V203-Q207 WeakPolarHBondContact O-CB 3.38Å; V203-Q207 PolarHBondContact O-N 2.82Å
204A89.2Confident90.2Very high5 Ų553 Ų534%0.04128%0.281CS..Hα-helixtrans-58.2-41.8178.300000112.9N80 L84 E200 A202 A208N80-A204 HydrophobicContact CB-CB 3.95Å; L84-A204 HydrophobicContact CD1-CB 4.11Å; E200-A204 VanDerWaalsContact O-CB 3.3Å; E200-A204 WeakPolarHBondContact O-CB 3.5Å; E200-A204 PolarHBondContact O-N 3.44Å; A202-A204 VanDerWaalsContact C-N 3.34Å; A202-A204 PolarHBondContact O-N 2.9Å; A204-A208 PolarHBondContact O-N 3.34Å
205L88.8Confident89.7Confident113 Ų11350 Ų5059%0.59227%0.266SS*.Hα-helixtrans-74.5-45.7178.9-169.6151.8000111.8I201 A202 V203 Q207 A208 Y209I201-L205 PolarHBondContact O-N 2.78Å; A202-L205 PolarHBondContact O-N 3.36Å; V203-L205 VanDerWaalsContact C-N 3.33Å; V203-L205 PolarHBondContact O-N 3.36Å; L205-Q207 VanDerWaalsContact C-N 3.27Å; L205-Q207 PolarHBondContact O-N 3.48Å; L205-A208 PolarHBondContact O-N 3.48Å; L205-Y209 PolarHBondContact O-N 3.35Å; L205-Y209 VanDerWaalsContact O-N 3.16Å
206I90.4Very high89.3Confident98 Ų9844.5 Ų44.550%0.50324%0.238SC..Hα-helixtrans-60.5-40.6178.2-68.4166.8000110.4A202 V203 A208 Y209 V210A202-I206 WeakPolarHBondContact O-CB 3.46Å; A202-I206 VanDerWaalsContact O-CG1 3.27Å; A202-I206 WeakPolarHBondContact O-CG1 3.46Å; A202-I206 PolarHBondContact O-N 3.44Å; V203-I206 PolarHBondContact O-N 2.95Å; I206-A208 PolarHBondContact O-N 3.25Å; I206-Y209 WeakPolarHBondContact O-CB 3.43Å; I206-Y209 PolarHBondContact O-N 3.48Å; I206-V210 HydrophobicContact CG2-CG2 4.06Å; I206-V210 WeakPolarHBondContact O-CG2 3.42Å; I206-V210 PolarHBondContact O-N 3.13Å
207Q88.6Confident88.8Confident11 Ų1147.4 Ų47.45%0.05125%0.253CS..Hα-helixtrans-66.1-38.1-178.2-174.163.78.800112.2R156 L157 V203 L205 Y209 F211R156-Q207 VanDerWaalsContact C-NE2 3.34Å; L157-Q207 VanDerWaalsContact CA-NE2 3.29Å; L157-Q207 HydrophobicContact CB-CG 4.14Å; L157-Q207 HydrophobicContact CD1-CG 3.64Å; L157-Q207 HydrophobicContact CG-CG 3.78Å; L157-Q207 VanDerWaalsContact N-NE2 3.12Å; V203-Q207 WeakPolarHBondContact O-CB 3.38Å; V203-Q207 PolarHBondContact O-N 2.82Å; L205-Q207 VanDerWaalsContact C-N 3.27Å; L205-Q207 PolarHBondContact O-N 3.48Å; Q207-Y209 VanDerWaalsContact C-N 3.35Å; Q207-F211 WeakPolarHBondContact O-CB 3.28Å; Q207-F211 PolarHBondContact O-N 3.05Å
208A89Confident88.2Confident1 Ų146 Ų461%0.00824%0.242CC..Hα-helixtrans-62.9-42.2172.600000111.6I73 I76 A77 A204 L205 I206 T212I73-A208 HydrophobicContact CG1-CB 4.47Å; I76-A208 HydrophobicContact CB-CB 4.08Å; I76-A208 HydrophobicContact CG2-CB 3.76Å; A77-A208 HydrophobicContact CB-CB 3.94Å; A204-A208 PolarHBondContact O-N 3.34Å; L205-A208 PolarHBondContact O-N 3.48Å; I206-A208 PolarHBondContact O-N 3.25Å; A208-T212 WeakPolarHBondContact O-CG2 3.37Å; A208-T212 PolarHBondContact O-N 3.33Å; A208-T212 PolarHBondContact O-OG1 2.89Å; A208-T212 VanDerWaalsContact O-OG1 3.09Å
209Y89.2Confident87.7Confident100 Ų10041.2 Ų41.239%0.39222%0.218SC..Hα-helixtrans-63.7-50.2176.3177.5-100.6000112.3I73 L205 I206 Q207 F211 T212 L213I73-Y209 HydrophobicContact CD1-CD2 4.18Å; L205-Y209 PolarHBondContact O-N 3.35Å; L205-Y209 VanDerWaalsContact O-N 3.16Å; I206-Y209 WeakPolarHBondContact O-CB 3.43Å; I206-Y209 PolarHBondContact O-N 3.48Å; Q207-Y209 VanDerWaalsContact C-N 3.35Å; Y209-F211 VanDerWaalsContact C-N 3.3Å; Y209-F211 PolarHBondContact O-N 3.31Å; Y209-T212 PolarHBondContact O-N 2.94Å; Y209-T212 PolarHBondContact O-OG1 3.28Å; Y209-L213 HydrophobicContact CE1-CD1 3.63Å; Y209-L213 WeakPolarHBondContact O-CB 3.45Å; Y209-L213 PolarHBondContact O-N 2.98Å; Y209-L213 WeakPolarHBondContact OH-CD1 3.39Å
210V89.5Confident87.1Confident42 Ų4240.3 Ų40.326%0.25521%0.211SC..Hα-helixtrans-61.7-38.6180172.10000111.6I206 L214I206-V210 HydrophobicContact CG2-CG2 4.06Å; I206-V210 WeakPolarHBondContact O-CG2 3.42Å; I206-V210 PolarHBondContact O-N 3.13Å; V210-L214 HydrophobicContact CG1-CD1 3.84Å; V210-L214 WeakPolarHBondContact O-CB 3.22Å; V210-L214 WeakPolarHBondContact O-CG 3.42Å; V210-L214 PolarHBondContact O-N 3.17Å
211F86.6Confident86.5Confident2 Ų243.2 Ų43.21%0.00923%0.227CC..Hα-helixtrans-56.8-54.2175.2-172.4-77.9000111.5L72 I76 A102 L105 L153 L157 Q207 Y209 L214 V215L72-F211 HydrophobicContact CD1-CE1 4.15Å; L72-F211 HydrophobicContact CD2-CD1 3.87Å; L72-F211 HydrophobicContact CD2-CE1 3.78Å; L72-F211 HydrophobicContact CG-CD1 4.36Å; L72-F211 HydrophobicContact CG-CE1 4.23Å; I76-F211 HydrophobicContact CD1-CB 4.29Å; I76-F211 HydrophobicContact CD1-CD1 3.4Å; I76-F211 HydrophobicContact CD1-CD2 4.29Å; I76-F211 HydrophobicContact CD1-CE1 3.73Å; I76-F211 HydrophobicContact CD1-CG 3.74Å; I76-F211 HydrophobicContact CD1-CZ 4.32Å; A102-F211 HydrophobicContact CB-CE2 4.34Å; A102-F211 HydrophobicContact CB-CZ 4.15Å; L105-F211 HydrophobicContact CD1-CE1 4.03Å; L105-F211 HydrophobicContact CD1-CZ 4.47Å; L153-F211 HydrophobicContact CD1-CB 4.46Å; L153-F211 HydrophobicContact CD1-CD2 4.14Å; L153-F211 HydrophobicContact CD1-CG 4.49Å; L153-F211 HydrophobicContact CD2-CB 4.45Å; L153-F211 HydrophobicContact CD2-CD1 4.12Å; L153-F211 HydrophobicContact CD2-CD2 3.18Å; L153-F211 HydrophobicContact CD2-CE1 4.12Å; L153-F211 HydrophobicContact CD2-CE2 3.17Å; L153-F211 HydrophobicContact CD2-CG 3.67Å; L153-F211 HydrophobicContact CD2-CZ 3.67Å; L153-F211 HydrophobicContact CG-CD2 3.42Å; L153-F211 VanDerWaalsContact CG-CD2 3.42Å; L153-F211 HydrophobicContact CG-CE2 3.7Å; L153-F211 HydrophobicContact CG-CG 4.14Å; L157-F211 HydrophobicContact CD1-CD2 4.18Å; Q207-F211 WeakPolarHBondContact O-CB 3.28Å; Q207-F211 PolarHBondContact O-N 3.05Å; Y209-F211 VanDerWaalsContact C-N 3.3Å; Y209-F211 PolarHBondContact O-N 3.31Å; F211-L214 PolarHBondContact O-N 2.66Å; F211-V215 HydrophobicContact CD1-CG2 4.32Å; F211-V215 HydrophobicContact CE1-CG2 4.13Å; F211-V215 WeakPolarHBondContact O-CG2 3.4Å; F211-V215 PolarHBondContact O-N 3.15Å
212T88.1Confident85.6Confident0 Ų040.7 Ų40.70%021%0.214CC..Hα-helixtrans-70.3-35.4-176.856.10000112.8M54 L72 I73 A208 Y209 V215 S216M54-T212 WeakPolarHBondContact CE-OG1 3.31Å; L72-T212 HydrophobicContact CB-CG2 4.2Å; L72-T212 HydrophobicContact CD2-CG2 3.57Å; L72-T212 HydrophobicContact CG-CG2 3.86Å; I73-T212 VanDerWaalsContact CA-CG2 3.49Å; I73-T212 HydrophobicContact CB-CG2 3.48Å; I73-T212 VanDerWaalsContact CB-CG2 3.48Å; I73-T212 HydrophobicContact CG1-CG2 4.07Å; A208-T212 WeakPolarHBondContact O-CG2 3.37Å; A208-T212 PolarHBondContact O-N 3.33Å; A208-T212 PolarHBondContact O-OG1 2.89Å; A208-T212 VanDerWaalsContact O-OG1 3.09Å; Y209-T212 PolarHBondContact O-N 2.94Å; Y209-T212 PolarHBondContact O-OG1 3.28Å; T212-V215 PolarHBondContact O-N 3.31Å; T212-S216 WeakPolarHBondContact O-CB 3.43Å; T212-S216 PolarHBondContact O-N 2.99Å
213L87.4Confident84.5Confident56 Ų5639.9 Ų39.929%0.29321%0.205SC..Hα-helixtrans-61.9-45.5174.8-174.5148.8000111.4Y209 S216 L217Y209-L213 HydrophobicContact CE1-CD1 3.63Å; Y209-L213 WeakPolarHBondContact O-CB 3.45Å; Y209-L213 PolarHBondContact O-N 2.98Å; Y209-L213 WeakPolarHBondContact OH-CD1 3.39Å; L213-S216 WeakPolarHBondContact O-CB 3.48Å; L213-S216 PolarHBondContact O-N 3.18Å; L213-S216 VanDerWaalsContact O-N 3.16Å; L213-S216 PolarHBondContact O-OG 2.86Å; L213-L217 PolarHBondContact O-N 3.31Å
214L85.5Confident84.1Confident34 Ų3439.9 Ų39.918%0.17820%0.203CC..Hα-helixtrans-61.7-47.1177.6-79.9162.3000111.3L153 V210 F211 S216 L217 Y218L153-L214 HydrophobicContact CD1-CB 4.28Å; L153-L214 HydrophobicContact CD1-CD1 3.38Å; L153-L214 HydrophobicContact CD1-CG 4.45Å; V210-L214 HydrophobicContact CG1-CD1 3.84Å; V210-L214 WeakPolarHBondContact O-CB 3.22Å; V210-L214 WeakPolarHBondContact O-CG 3.42Å; V210-L214 PolarHBondContact O-N 3.17Å; F211-L214 PolarHBondContact O-N 2.66Å; L214-S216 PolarHBondContact O-N 3.08Å; L214-L217 PolarHBondContact O-N 3.4Å; L214-L217 VanDerWaalsContact O-N 3.11Å; L214-Y218 HydrophobicContact CB-CE2 4.42Å; L214-Y218 WeakPolarHBondContact O-CD2 3.35Å; L214-Y218 PolarHBondContact O-N 3.18Å
215V84.2Confident83.9Confident13 Ų1341.7 Ų41.78%0.07921%0.212CC..Hα-helixtrans-55.7-41.1174178.10000111.4L69 L105 F211 T212 Y218 L219L69-V215 HydrophobicContact CD2-CB 4.21Å; L69-V215 HydrophobicContact CD2-CG1 3.81Å; L105-V215 HydrophobicContact CB-CG1 4.47Å; F211-V215 HydrophobicContact CD1-CG2 4.32Å; F211-V215 HydrophobicContact CE1-CG2 4.13Å; F211-V215 WeakPolarHBondContact O-CG2 3.4Å; F211-V215 PolarHBondContact O-N 3.15Å; T212-V215 PolarHBondContact O-N 3.31Å; V215-Y218 PolarHBondContact O-N 2.99Å; V215-L219 PolarHBondContact O-N 3.04Å; V215-L219 VanDerWaalsContact O-N 3.1Å
216S85.3Confident83.6Confident6 Ų637.8 Ų37.84%0.04219%0.19CC..Hα-helixtrans-67.6-39178.186.20000112.5H58 T212 L213 L214 Y218 L219 H220H58-S216 PolarHBondContact CE1-O 3.21Å; H58-S216 PolarHBondContact NE2-O 2.96Å; T212-S216 WeakPolarHBondContact O-CB 3.43Å; T212-S216 PolarHBondContact O-N 2.99Å; L213-S216 WeakPolarHBondContact O-CB 3.48Å; L213-S216 PolarHBondContact O-N 3.18Å; L213-S216 VanDerWaalsContact O-N 3.16Å; L213-S216 PolarHBondContact O-OG 2.86Å; L214-S216 PolarHBondContact O-N 3.08Å; S216-Y218 PolarHBondContact O-N 3.49Å; S216-L219 WeakPolarHBondContact O-CB 3.42Å; S216-L219 PolarHBondContact O-N 3.13Å; S216-H220 PolarHBondContact O-N 3.44Å
217L83.4Confident83.2Confident78 Ų7834.2 Ų34.241%0.40817%0.172SC..Hα-helixtrans-64.5-42.3176.8-172.7149.6000111.1L213 L214 L219 H220 D221L213-L217 PolarHBondContact O-N 3.31Å; L214-L217 PolarHBondContact O-N 3.4Å; L214-L217 VanDerWaalsContact O-N 3.11Å; L217-L219 VanDerWaalsContact C-N 3.3Å; L217-L219 PolarHBondContact O-N 3.28Å; L217-H220 WeakPolarHBondContact O-CA 3.42Å; L217-H220 WeakPolarHBondContact O-CB 3.48Å; L217-H220 PolarHBondContact O-N 3.23Å; L217-H220 VanDerWaalsContact O-N 3.11Å; L217-D221 WeakPolarHBondContact CD2-OD2 3.41Å; L217-D221 PolarHBondContact O-N 3.48Å
218Y79.1Confident82.9Confident21 Ų2135.7 Ų35.78%0.08218%0.18CC..Hα-helixtrans-61.5-40172.9-67.6-68.4000113.1Q149 L214 V215 S216 H220 D221 N222Q149-Y218 WeakPolarHBondContact CB-OH 3.41Å; Q149-Y218 WeakPolarHBondContact CG-OH 3.41Å; Q149-Y218 PolarHBondContact NE2-OH 3.22Å; Q149-Y218 VanDerWaalsContact OE1-CZ 3.23Å; Q149-Y218 PolarHBondContact OE1-OH 2.82Å; L214-Y218 HydrophobicContact CB-CE2 4.42Å; L214-Y218 WeakPolarHBondContact O-CD2 3.35Å; L214-Y218 PolarHBondContact O-N 3.18Å; V215-Y218 PolarHBondContact O-N 2.99Å; S216-Y218 PolarHBondContact O-N 3.49Å; Y218-H220 VanDerWaalsContact C-N 3.25Å; Y218-H220 PolarHBondContact O-N 3.42Å; Y218-D221 PolarHBondContact O-N 2.79Å; Y218-N222 VanDerWaalsContact O-CB 3.3Å; Y218-N222 WeakPolarHBondContact O-CB 3.24Å; Y218-N222 PolarHBondContact O-N 3.41Å; Y218-N222 PolarHBondContact O-ND2 2.96Å
219L80.3Confident82.4Confident4 Ų438 Ų382%0.02119%0.191CC..Hα-helixtrans-62.1-41.7176.5-171.673000109.9W65 M112 V215 S216 L217 N222 T223W65-L219 HydrophobicContact CB-CD2 3.48Å; W65-L219 VanDerWaalsContact CB-CD2 3.48Å; W65-L219 HydrophobicContact CD2-CD1 4.02Å; W65-L219 HydrophobicContact CD2-CD2 4.29Å; W65-L219 HydrophobicContact CG-CD1 4.06Å; W65-L219 HydrophobicContact CG-CD2 3.64Å; M112-L219 HydrophobicContact SD-CD1 4.35Å; V215-L219 PolarHBondContact O-N 3.04Å; V215-L219 VanDerWaalsContact O-N 3.1Å; S216-L219 WeakPolarHBondContact O-CB 3.42Å; S216-L219 PolarHBondContact O-N 3.13Å; L217-L219 VanDerWaalsContact C-N 3.3Å; L217-L219 PolarHBondContact O-N 3.28Å; L219-N222 PolarHBondContact O-N 3.39Å; L219-T223 HydrophobicContact CD1-CG2 4.26Å; L219-T223 HydrophobicContact CG-CG2 4.26Å; L219-T223 WeakPolarHBondContact O-CB 3.28Å; L219-T223 WeakPolarHBondContact O-CG2 3.38Å; L219-T223 PolarHBondContact O-N 3.35Å; L219-T223 VanDerWaalsContact O-N 3.1Å; L219-T223 PolarHBondContact O-OG1 3.47Å
220H80.7Confident82Confident83 Ų8333.6 Ų33.638%0.38418%0.177SC..Hα-helixtrans-59.3-51.6175.1-174.587.5000111.9M57 S216 L217 Y218 N222 T223M57-H220 PolarHBondContact O-CE1 2.93Å; M57-H220 PolarHBondContact O-ND1 3.37Å; S216-H220 PolarHBondContact O-N 3.44Å; L217-H220 WeakPolarHBondContact O-CA 3.42Å; L217-H220 WeakPolarHBondContact O-CB 3.48Å; L217-H220 PolarHBondContact O-N 3.23Å; L217-H220 VanDerWaalsContact O-N 3.11Å; Y218-H220 VanDerWaalsContact C-N 3.25Å; Y218-H220 PolarHBondContact O-N 3.42Å; H220-N222 PolarHBondContact O-N 3.46Å; H220-T223 PolarHBondContact O-N 3.15Å; H220-T223 VanDerWaalsContact O-N 3.14Å; H220-T223 PolarHBondContact O-OG1 3.47Å
221D77.2Confident81.4Confident73 Ų7332.9 Ų32.939%0.3917%0.171SC..Hα-helixtrans-61-31.3-179.2-65.7-15.2000112.5L217 Y218L217-D221 WeakPolarHBondContact CD2-OD2 3.41Å; L217-D221 PolarHBondContact O-N 3.48Å; Y218-D221 PolarHBondContact O-N 2.79Å
222N72.8Confident80.9Confident30 Ų3035.5 Ų35.516%0.1618%0.184CC..Hα-helixtrans-90.1-6-179.5-75.3-73.6000114.4G113 S116 Y218 L219 H220G113-N222 VanDerWaalsContact CA-O 3.25Å; G113-N222 WeakPolarHBondContact CA-O 3.41Å; S116-N222 PolarHBondContact OG-O 3.42Å; Y218-N222 VanDerWaalsContact O-CB 3.3Å; Y218-N222 WeakPolarHBondContact O-CB 3.24Å; Y218-N222 PolarHBondContact O-N 3.41Å; Y218-N222 PolarHBondContact O-ND2 2.96Å; L219-N222 PolarHBondContact O-N 3.39Å; H220-N222 PolarHBondContact O-N 3.46Å
223T67.5Low80.3Confident28 Ų2838.7 Ų38.717%0.17220%0.201CC..  trans-108.80-17857.90000114.5K117 L219 H220K117-T223 WeakPolarHBondContact CE-O 3.36Å; K117-T223 PolarHBondContact NZ-O 3.38Å; L219-T223 HydrophobicContact CD1-CG2 4.26Å; L219-T223 HydrophobicContact CG-CG2 4.26Å; L219-T223 WeakPolarHBondContact O-CB 3.28Å; L219-T223 WeakPolarHBondContact O-CG2 3.38Å; L219-T223 PolarHBondContact O-N 3.35Å; L219-T223 VanDerWaalsContact O-N 3.1Å; L219-T223 PolarHBondContact O-OG1 3.47Å; H220-T223 PolarHBondContact O-N 3.15Å; H220-T223 VanDerWaalsContact O-N 3.14Å; H220-T223 PolarHBondContact O-OG1 3.47Å

Retrieved 223 of 223 residues in 425.5 ms (Link to these results)

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