A0A087XZ98_POEFO Loading...

Transmembrane protein 59

Acts as a regulator of autophagy in response to S.aureus infection by promoting activation of LC3 (MAP1LC3A, MAP1LC3B or MAP1LC3C). Acts by interacting with ATG16L1, leading to promote a functional complex between LC3 and ATG16L1 and promoting LC3 lipidation and subsequent activation of autophagy. Modulates the O-glycosylation and complex N-glycosylation steps occurring during the Golgi maturation of several proteins such as APP, BACE1, SEAP or PRNP. Inhibits APP transport to the cell surface and further shedding.

AlphaFold DB , UniProt , Accession A0A087XZ98, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 325 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
1M48.5Very low55.3Low226 Ų226109.8 Ų109.8100%1.11364%0.637SS**  0-24.70-76.4155.775.300114.4
2G50.6Low56.1Low64 Ų64103.6 Ų103.666%0.6661%0.614SS**Hα-helixtrans-74.6-26.7-177.900000117.4
3T49.8Very low56.5Low102 Ų102104.8 Ų104.863%0.62662%0.615SS**Hα-helixtrans-71.8-42.1-170.643.70000114.5S5 F6 V7T3-S5 PolarHBondContact O-N 3.46Å; T3-F6 PolarHBondContact O-N 3.08Å; T3-V7 PolarHBondContact O-N 3.31Å
4F47.8Very low56.4Low177 Ų177104 Ų10478%0.77661%0.607SS**Hα-helixtrans-65.7-36.3-178.8-78-84.1000113.2F6 G8F4-F6 VanDerWaalsContact C-N 3.31Å; F4-F6 PolarHBondContact O-N 3.45Å; F4-G8 PolarHBondContact O-N 3.22Å; F4-G8 VanDerWaalsContact O-N 3.11Å
5S53.6Low56.8Low94 Ų94103.1 Ų103.166%0.65760%0.603SS**Hα-helixtrans-66.8-33.6176.8-164.90000112.4T3 S9T3-S5 PolarHBondContact O-N 3.46Å; S5-S9 WeakPolarHBondContact O-CB 3.44Å; S5-S9 PolarHBondContact O-N 3.27Å; S5-S9 VanDerWaalsContact O-N 3.08Å
6F52.6Low56.7Low145 Ų145104.1 Ų104.164%0.63660%0.604SS**Hα-helixtrans-71.1-43.4179.3-167.3-111.4000111.6T3 F4 S9 I10T3-F6 PolarHBondContact O-N 3.08Å; F4-F6 VanDerWaalsContact C-N 3.31Å; F4-F6 PolarHBondContact O-N 3.45Å; F6-S9 PolarHBondContact O-N 3.47Å; F6-I10 HydrophobicContact CD1-CD1 3.7Å; F6-I10 HydrophobicContact CE1-CD1 3.38Å; F6-I10 HydrophobicContact CE2-CD1 4.47Å; F6-I10 HydrophobicContact CG-CD1 4.38Å; F6-I10 HydrophobicContact CZ-CD1 3.81Å; F6-I10 WeakPolarHBondContact O-CG1 3.42Å; F6-I10 PolarHBondContact O-N 3.11Å
7V57.9Low56.5Low85 Ų85104.1 Ų104.152%0.51560%0.6SS.*Hα-helixtrans-63.1-43.7175.8176.20000111.5T3 S9 I10 L11T3-V7 PolarHBondContact O-N 3.31Å; V7-S9 PolarHBondContact O-N 2.97Å; V7-I10 PolarHBondContact O-N 2.94Å; V7-L11 HydrophobicContact CG1-CD1 3.97Å; V7-L11 PolarHBondContact O-N 3.3Å
8G64.3Low56.4Low47 Ų47101.4 Ų101.449%0.48559%0.593SS.*Hα-helixtrans-61.4-41.3175.300000112.9F4 L11 G12F4-G8 PolarHBondContact O-N 3.22Å; F4-G8 VanDerWaalsContact O-N 3.11Å; G8-L11 PolarHBondContact O-N 2.98Å; G8-G12 PolarHBondContact O-N 2.97Å
9S56.8Low56.1Low82 Ų82100.4 Ų100.457%0.57359%0.591SS**Hα-helixtrans-67-36.5176.7-164.70000112.7S5 F6 V7 L13S5-S9 WeakPolarHBondContact O-CB 3.44Å; S5-S9 PolarHBondContact O-N 3.27Å; S5-S9 VanDerWaalsContact O-N 3.08Å; F6-S9 PolarHBondContact O-N 3.47Å; V7-S9 PolarHBondContact O-N 2.97Å; S9-L13 WeakPolarHBondContact O-CB 3.4Å; S9-L13 PolarHBondContact O-N 2.93Å
10I65.2Low55.8Low76 Ų7699.7 Ų99.739%0.3959%0.588SS.*Hα-helixtrans-70.4-42.2176.1-71.9172.8000111F6 V7 L13 N14F6-I10 HydrophobicContact CD1-CD1 3.7Å; F6-I10 HydrophobicContact CE1-CD1 3.38Å; F6-I10 HydrophobicContact CE2-CD1 4.47Å; F6-I10 HydrophobicContact CG-CD1 4.38Å; F6-I10 HydrophobicContact CZ-CD1 3.81Å; F6-I10 WeakPolarHBondContact O-CG1 3.42Å; F6-I10 PolarHBondContact O-N 3.11Å; V7-I10 PolarHBondContact O-N 2.94Å; I10-L13 PolarHBondContact O-N 3.46Å; I10-N14 WeakPolarHBondContact CG2-ND2 3.5Å; I10-N14 PolarHBondContact O-N 3Å; I10-N14 PolarHBondContact O-ND2 2.81Å
11L61.3Low55.4Low110 Ų110101.1 Ų101.158%0.57659%0.592SS**Hα-helixtrans-61.3-46.3173.4-101.988.5000111.2V7 G8 L13 N14 V15V7-L11 HydrophobicContact CG1-CD1 3.97Å; V7-L11 PolarHBondContact O-N 3.3Å; G8-L11 PolarHBondContact O-N 2.98Å; L11-L13 VanDerWaalsContact C-N 3.32Å; L11-L13 PolarHBondContact O-N 3.39Å; L11-N14 PolarHBondContact O-N 3.44Å; L11-V15 WeakPolarHBondContact O-CG2 3.46Å; L11-V15 PolarHBondContact O-N 2.91Å
12G64.4Low55.2Low35 Ų3593.1 Ų93.136%0.36156%0.562SS.*Hα-helixtrans-58-43.217700000112.7G8 V15 L16G8-G12 PolarHBondContact O-N 2.97Å; G12-V15 PolarHBondContact O-N 3.44Å; G12-L16 WeakPolarHBondContact O-CB 3.46Å; G12-L16 PolarHBondContact O-N 3.09Å
13L61.3Low55Low119 Ų11992.7 Ų92.762%0.62355%0.549SS*.Hα-helixtrans-65.5-41177-15880.8000112.2S9 I10 L11 L16 L17S9-L13 WeakPolarHBondContact O-CB 3.4Å; S9-L13 PolarHBondContact O-N 2.93Å; I10-L13 PolarHBondContact O-N 3.46Å; L11-L13 VanDerWaalsContact C-N 3.32Å; L11-L13 PolarHBondContact O-N 3.39Å; L13-L16 PolarHBondContact O-N 3.48Å; L13-L17 WeakPolarHBondContact O-CB 3.35Å; L13-L17 PolarHBondContact O-N 3.32Å
14N55.6Low54.9Low94 Ų9490.4 Ų90.450%0.50354%0.537SS..Hα-helixtrans-68.7-36.6177.2-81.6-86.2000112.5I10 L11 L17 A18I10-N14 WeakPolarHBondContact CG2-ND2 3.5Å; I10-N14 PolarHBondContact O-N 3Å; I10-N14 PolarHBondContact O-ND2 2.81Å; L11-N14 PolarHBondContact O-N 3.44Å; N14-L17 PolarHBondContact O-N 3.22Å; N14-A18 WeakPolarHBondContact O-CB 3.37Å; N14-A18 PolarHBondContact O-N 3.48Å
15V61.7Low55Low90 Ų9087.1 Ų87.155%0.54553%0.528SS..Hα-helixtrans-66.2-43.8173.8170.70000110.6L11 G12 L17 A18 C19L11-V15 WeakPolarHBondContact O-CG2 3.46Å; L11-V15 PolarHBondContact O-N 2.91Å; G12-V15 PolarHBondContact O-N 3.44Å; V15-L17 VanDerWaalsContact C-N 3.35Å; V15-L17 PolarHBondContact O-N 3.07Å; V15-A18 PolarHBondContact O-N 2.89Å; V15-C19 PolarHBondContact O-N 3.22Å; V15-C19 PolarHBondContact O-SG 3.4Å
16L56.2Low55Low120 Ų12087.3 Ų87.363%0.62852%0.524SS*.Hα-helixtrans-58.9-43.9172.3-92.6152.7000112G12 L13 C19 T20G12-L16 WeakPolarHBondContact O-CB 3.46Å; G12-L16 PolarHBondContact O-N 3.09Å; L13-L16 PolarHBondContact O-N 3.48Å; L16-C19 PolarHBondContact O-N 2.92Å; L16-T20 PolarHBondContact O-N 3.03Å
17L53.5Low55.1Low103 Ų10385.5 Ų85.554%0.53952%0.517SS..Hα-helixtrans-62.7-43.6176.6-139.979.9000111.8L13 N14 V15 C19 T20 L21L13-L17 WeakPolarHBondContact O-CB 3.35Å; L13-L17 PolarHBondContact O-N 3.32Å; N14-L17 PolarHBondContact O-N 3.22Å; V15-L17 VanDerWaalsContact C-N 3.35Å; V15-L17 PolarHBondContact O-N 3.07Å; L17-C19 PolarHBondContact O-N 3.3Å; L17-T20 WeakPolarHBondContact CA-OG1 3.47Å; L17-T20 PolarHBondContact O-N 3.46Å; L17-T20 PolarHBondContact O-OG1 3.46Å; L17-L21 WeakPolarHBondContact O-CG 3.49Å; L17-L21 PolarHBondContact O-N 3.32Å
18A54.3Low55Low56 Ų5684.2 Ų84.246%0.46351%0.507SS..Hα-helixtrans-62.8-40.7176.300000112.2N14 V15 T20 L21 A22N14-A18 WeakPolarHBondContact O-CB 3.37Å; N14-A18 PolarHBondContact O-N 3.48Å; V15-A18 PolarHBondContact O-N 2.89Å; A18-T20 VanDerWaalsContact C-N 3.33Å; A18-T20 PolarHBondContact O-N 3.18Å; A18-L21 PolarHBondContact O-N 2.89Å; A18-A22 PolarHBondContact O-N 3.38Å
19C50.2Low54.7Low82 Ų8286.3 Ų86.355%0.55451%0.514SS*.Hα-helixtrans-63.3-36.2173.3-69.90000112.6V15 L16 L17 S23V15-C19 PolarHBondContact O-N 3.22Å; V15-C19 PolarHBondContact O-SG 3.4Å; L16-C19 PolarHBondContact O-N 2.92Å; L17-C19 PolarHBondContact O-N 3.3Å; C19-S23 PolarHBondContact O-N 3.01Å
20T50.3Low54.6Low86 Ų8686.3 Ų86.353%0.52851%0.51SS..Hα-helixtrans-69.3-35.7174.156.10000112.8L16 L17 A18 S23L16-T20 PolarHBondContact O-N 3.03Å; L17-T20 WeakPolarHBondContact CA-OG1 3.47Å; L17-T20 PolarHBondContact O-N 3.46Å; L17-T20 PolarHBondContact O-OG1 3.46Å; A18-T20 VanDerWaalsContact C-N 3.33Å; A18-T20 PolarHBondContact O-N 3.18Å; T20-S23 WeakPolarHBondContact O-CB 3.44Å; T20-S23 PolarHBondContact O-N 3.49Å; T20-S23 PolarHBondContact O-OG 3.41Å
21L47.9Very low54.5Low131 Ų13184 Ų8469%0.68650%0.499SS*.Hα-helixtrans-69.6-35.8176.9-72.2166000112.7L17 A18 S23 S24L17-L21 WeakPolarHBondContact O-CG 3.49Å; L17-L21 PolarHBondContact O-N 3.32Å; A18-L21 PolarHBondContact O-N 2.89Å; L21-S23 PolarHBondContact O-N 2.71Å; L21-S24 PolarHBondContact O-OG 3.34Å
22A44.3Very low54.8Low58 Ų5878.9 Ų78.948%0.47947%0.472SS..THydrogen-bonded Turntrans-74.8-5.9175.100000114.2A18A18-A22 PolarHBondContact O-N 3.38Å
23S46.1Very low55.1Low54 Ų5480.4 Ų80.438%0.37848%0.477SS..THydrogen-bonded Turntrans-79.1-14-175.974.40000114.5C19 T20 L21 D25 F27C19-S23 PolarHBondContact O-N 3.01Å; T20-S23 WeakPolarHBondContact O-CB 3.44Å; T20-S23 PolarHBondContact O-N 3.49Å; T20-S23 PolarHBondContact O-OG 3.41Å; L21-S23 PolarHBondContact O-N 2.71Å; S23-D25 VanDerWaalsContact C-N 3.29Å; S23-D25 PolarHBondContact O-N 2.76Å; S23-F27 WeakPolarHBondContact O-CD2 3.33Å
24S47.1Very low56.1Low55 Ų5575 Ų7539%0.38545%0.45SS..Hα-helixtrans-57.4-44.517344.60000111.8L21 V26 F27L21-S24 PolarHBondContact O-OG 3.34Å; S24-V26 VanDerWaalsContact C-N 3.3Å; S24-V26 PolarHBondContact O-N 3.35Å; S24-F27 PolarHBondContact O-N 3.11Å
25D50.2Low57.5Low108 Ų10873.3 Ų73.358%0.57845%0.448SS*.Hα-helixtrans-77.3-21.4-167.1-51.5-5.3000111.6S23 F27 D28S23-D25 VanDerWaalsContact C-N 3.29Å; S23-D25 PolarHBondContact O-N 2.76Å; D25-F27 VanDerWaalsContact C-N 3.33Å; D25-F27 PolarHBondContact O-N 3.25Å; D25-D28 PolarHBondContact O-N 2.93Å
26V54.8Low58.7Low97 Ų9771.7 Ų71.759%0.58844%0.441SS*.Hα-helixtrans-66.5-36.7177.5-178.10000110.9S24 S29S24-V26 VanDerWaalsContact C-N 3.3Å; S24-V26 PolarHBondContact O-N 3.35Å; V26-S29 PolarHBondContact O-OG 3.01Å
27F53.3Low60.3Low108 Ų10866 Ų6647%0.47441%0.411SS..Hα-helixtrans-74.7-31.1178.1-69.5-77.3000112.8S23 S24 D25 S29 V30 L31S23-F27 WeakPolarHBondContact O-CD2 3.33Å; S24-F27 PolarHBondContact O-N 3.11Å; D25-F27 VanDerWaalsContact C-N 3.33Å; D25-F27 PolarHBondContact O-N 3.25Å; F27-S29 PolarHBondContact O-N 3.22Å; F27-V30 PolarHBondContact O-N 2.99Å; F27-L31 HydrophobicContact CB-CD1 4.05Å; F27-L31 WeakPolarHBondContact O-CB 3.31Å; F27-L31 PolarHBondContact O-N 3.18Å
28D56.5Low62.1Low57 Ų5763.8 Ų63.831%0.30540%0.398SS..Hα-helixtrans-61.7-27.3177.7-84.816.9000113D25 V30 G32D25-D28 PolarHBondContact O-N 2.93Å; D28-V30 VanDerWaalsContact C-N 3.29Å; D28-V30 PolarHBondContact O-N 3.4Å; D28-G32 CarbonylContact O-C 3.56Å; D28-G32 VanDerWaalsContact O-C 3.25Å; D28-G32 WeakPolarHBondContact O-CA 3.42Å; D28-G32 PolarHBondContact O-N 3.07Å
29S57.3Low63.8Low91 Ų9168.5 Ų68.564%0.63641%0.408SS*.Hα-helixtrans-68.6-26.2174.775.60000113.6V26 F27V26-S29 PolarHBondContact O-OG 3.01Å; F27-S29 PolarHBondContact O-N 3.22Å
30V56.3Low65.7Low82 Ų8266.4 Ų66.450%0.49739%0.394SS..Hα-helixtrans-102.6-42.4-176.5-1790000111.6F27 D28 G32 F71F27-V30 PolarHBondContact O-N 2.99Å; D28-V30 VanDerWaalsContact C-N 3.29Å; D28-V30 PolarHBondContact O-N 3.4Å; V30-G32 VanDerWaalsContact C-N 3.31Å; V30-F71 HydrophobicContact CG1-CD2 3.95Å; V30-F71 HydrophobicContact CG1-CE2 3.45Å; V30-F71 VanDerWaalsContact CG1-CE2 3.45Å; V30-F71 HydrophobicContact CG1-CZ 3.78Å
31L62.8Low67.6Low29 Ų2962.3 Ų62.315%0.15237%0.369CS..Hα-helixtrans-82.3-9.8179.1-63.6-179.7000113.1F27 S67 I68 F71F27-L31 HydrophobicContact CB-CD1 4.05Å; F27-L31 WeakPolarHBondContact O-CB 3.31Å; F27-L31 PolarHBondContact O-N 3.18Å; L31-S67 WeakPolarHBondContact O-CB 3.44Å; L31-S67 PolarHBondContact O-OG 3.1Å; L31-I68 HydrophobicContact CD1-CD1 4.49Å; L31-I68 HydrophobicContact CD1-CG1 3.79Å; L31-I68 HydrophobicContact CD2-CG1 4.09Å; L31-F71 HydrophobicContact CD2-CB 3.81Å; L31-F71 HydrophobicContact CD2-CD1 4.29Å; L31-F71 HydrophobicContact CD2-CG 4.04Å
32G66.6Low69.6Low2 Ų257.5 Ų57.52%0.02135%0.352CS..  trans78.2150.8-172.600000112.6D28 V30 T34D28-G32 CarbonylContact O-C 3.56Å; D28-G32 VanDerWaalsContact O-C 3.25Å; D28-G32 WeakPolarHBondContact O-CA 3.42Å; D28-G32 PolarHBondContact O-N 3.07Å; V30-G32 VanDerWaalsContact C-N 3.31Å; G32-T34 PolarHBondContact O-N 3.04Å
33S72.1Confident71.6Confident66 Ų6661.8 Ų61.846%0.46236%0.364SS..  trans-65.6118.1-177.3-1730000111.9A35S33-A35 VanDerWaalsContact C-N 3.26Å; S33-A35 WeakPolarHBondContact OG-CB 3.37Å; S33-A35 PolarHBondContact OG-N 3.49Å
34T81.1Confident73.5Confident7 Ų762.3 Ų62.34%0.04337%0.365CS..  trans-83.4-2.2171.863.90000112.6G32 S36 C37 H38 R64G32-T34 PolarHBondContact O-N 3.04Å; T34-S36 PolarHBondContact O-N 3.38Å; T34-S36 VanDerWaalsContact O-N 3.12Å; T34-C37 PolarHBondContact O-N 3.45Å; T34-H38 PolarHBondContact O-CD2 3.06Å; T34-H38 VanDerWaalsContact O-CD2 3.29Å; T34-H38 PolarHBondContact O-N 3.09Å; T34-H38 PolarHBondContact OG1-CD2 3.48Å; T34-H38 PolarHBondContact OG1-CE1 2.67Å; T34-H38 PolarHBondContact OG1-NE2 3.3Å; T34-R64 HydrophobicContact CG2-CB 4.45Å
35A84.3Confident75.1Confident57 Ų5760.1 Ų60.147%0.47135%0.348SS..Hα-helixtrans-56.7-33.3-172.900000113.5S33 K39S33-A35 VanDerWaalsContact C-N 3.26Å; S33-A35 WeakPolarHBondContact OG-CB 3.37Å; S33-A35 PolarHBondContact OG-N 3.49Å; A35-K39 WeakPolarHBondContact O-CB 3.41Å; A35-K39 PolarHBondContact O-N 3.34Å
36S88Confident76.4Confident57 Ų5757 Ų5740%0.39933%0.334SS..Hα-helixtrans-66.1-45.6174.8-162.50000112T34 K39 S40 F112T34-S36 PolarHBondContact O-N 3.38Å; T34-S36 VanDerWaalsContact O-N 3.12Å; S36-K39 PolarHBondContact O-N 3.34Å; S36-S40 PolarHBondContact O-N 3.37Å; S36-F112 WeakPolarHBondContact OG-CE1 3.46Å; S36-F112 WeakPolarHBondContact OG-CZ 3.49Å
37C90.3Very high77.1Confident0 Ų058 Ų580%034%0.335CS..Hα-helixtrans-69.2-38.4176.3-175.90000111.9T34 K39 S40 C41 C63 G105 F112T34-C37 PolarHBondContact O-N 3.45Å; C37-K39 VanDerWaalsContact C-N 3.31Å; C37-K39 PolarHBondContact O-N 2.87Å; C37-S40 CarbonylContact O-C 3.25Å; C37-S40 WeakPolarHBondContact O-CA 3.2Å; C37-S40 VanDerWaalsContact O-CB 3.32Å; C37-S40 WeakPolarHBondContact O-CB 3.44Å; C37-S40 PolarHBondContact O-N 3.23Å; C37-S40 VanDerWaalsContact O-N 3.09Å; C37-C41 PolarHBondContact O-N 3.04Å; C37-C41 PolarHBondContact O-SG 3.02Å; C37-C63 VanDerWaalsContact C-SG 3.51Å; C37-C63 HydrophobicContact CB-CB 3.67Å; C37-C63 WeakPolarHBondContact CB-SG 3.3Å; C37-C63 WeakPolarHBondContact SG-CB 3.42Å; C37-C63 CovalentContact SG-SG 2.03Å; C37-C63 PolarHBondContact SG-SG 3.23Å; C37-G105 PolarHBondContact SG-O 3.26Å; C37-G105 VanDerWaalsContact SG-O 3.4Å; C37-F112 HydrophobicContact CB-CD2 4.48Å
38H90.3Very high77.8Confident56 Ų5661.6 Ų61.626%0.25935%0.353SS..Hα-helixtrans-60.6-40.1173.2-73.5-155.6000111.8T34 C41 G42 Q60T34-H38 PolarHBondContact O-CD2 3.06Å; T34-H38 VanDerWaalsContact O-CD2 3.29Å; T34-H38 PolarHBondContact O-N 3.09Å; T34-H38 PolarHBondContact OG1-CD2 3.48Å; T34-H38 PolarHBondContact OG1-CE1 2.67Å; T34-H38 PolarHBondContact OG1-NE2 3.3Å; H38-C41 PolarHBondContact O-N 3.26Å; H38-G42 PolarHBondContact O-N 3.32Å; H38-Q60 HydrophobicContact CB-CG 4.3Å; H38-Q60 PolarHBondContact NE2-O 3.43Å
39K90.1Very high78.4Confident155 Ų15563.8 Ų63.867%0.67437%0.369SS*.Hα-helixtrans-64.4-40.4172.8-172.5178.9-179.4-178.40111.6A35 S36 C37 G42 M43A35-K39 WeakPolarHBondContact O-CB 3.41Å; A35-K39 PolarHBondContact O-N 3.34Å; S36-K39 PolarHBondContact O-N 3.34Å; C37-K39 VanDerWaalsContact C-N 3.31Å; C37-K39 PolarHBondContact O-N 2.87Å; K39-G42 PolarHBondContact O-N 3.04Å; K39-M43 WeakPolarHBondContact O-CG 3.34Å; K39-M43 PolarHBondContact O-N 3.35Å; K39-M43 VanDerWaalsContact O-N 3.11Å
40S89.9Confident79Confident38 Ų3863.5 Ų63.527%0.26636%0.355SS..Hα-helixtrans-59.6-51.7173.1-163.20000111.4S36 C37 G42 M43 T44 N108S36-S40 PolarHBondContact O-N 3.37Å; C37-S40 CarbonylContact O-C 3.25Å; C37-S40 WeakPolarHBondContact O-CA 3.2Å; C37-S40 VanDerWaalsContact O-CB 3.32Å; C37-S40 WeakPolarHBondContact O-CB 3.44Å; C37-S40 PolarHBondContact O-N 3.23Å; C37-S40 VanDerWaalsContact O-N 3.09Å; S40-G42 VanDerWaalsContact C-N 3.3Å; S40-G42 PolarHBondContact O-N 2.88Å; S40-M43 WeakPolarHBondContact O-CB 3.38Å; S40-M43 PolarHBondContact O-N 2.89Å; S40-T44 PolarHBondContact O-N 3.44Å; S40-T44 PolarHBondContact O-OG1 3.15Å; S40-T44 VanDerWaalsContact O-OG1 3.14Å; S40-N108 PolarHBondContact OG-ND2 3.45Å
41C90.3Very high79.4Confident0 Ų065.5 Ų65.50%037%0.369CS..Hα-helixtrans-54.5-42174.8-70.60000112.8C37 H38 M43 T44 Y45 C59 Q60C37-C41 PolarHBondContact O-N 3.04Å; C37-C41 PolarHBondContact O-SG 3.02Å; H38-C41 PolarHBondContact O-N 3.26Å; C41-M43 VanDerWaalsContact C-N 3.31Å; C41-M43 PolarHBondContact O-N 3.49Å; C41-T44 PolarHBondContact O-N 3.22Å; C41-Y45 PolarHBondContact O-N 3.26Å; C41-C59 HydrophobicContact CB-CB 3.72Å; C41-C59 WeakPolarHBondContact CB-SG 3.16Å; C41-C59 WeakPolarHBondContact SG-CB 3.47Å; C41-C59 CovalentContact SG-SG 2.04Å; C41-C59 PolarHBondContact SG-SG 3.35Å; C41-Q60 HydrophobicContact CB-CG 4.24Å
42G89.3Confident79.9Confident31 Ų3169.5 Ų69.532%0.3238%0.382SS..Hα-helixtrans-66.8-27.2176.900000114.5H38 K39 S40H38-G42 PolarHBondContact O-N 3.32Å; K39-G42 PolarHBondContact O-N 3.04Å; S40-G42 VanDerWaalsContact C-N 3.3Å; S40-G42 PolarHBondContact O-N 2.88Å
43M86.8Confident80.6Confident148 Ų14876 Ų7673%0.72941%0.412SS*.Hα-helixtrans-79.8-36.6172.1-66.4-63.9-59.800112K39 S40 C41K39-M43 WeakPolarHBondContact O-CG 3.34Å; K39-M43 PolarHBondContact O-N 3.35Å; K39-M43 VanDerWaalsContact O-N 3.11Å; S40-M43 WeakPolarHBondContact O-CB 3.38Å; S40-M43 PolarHBondContact O-N 2.89Å; C41-M43 VanDerWaalsContact C-N 3.31Å; C41-M43 PolarHBondContact O-N 3.49Å
44T85.6Confident81.2Confident65 Ų6577.5 Ų77.540%0.39941%0.412SS..Hα-helixtrans-72.2-48.8178.3-52.10000112S40 C41 S46S40-T44 PolarHBondContact O-N 3.44Å; S40-T44 PolarHBondContact O-OG1 3.15Å; S40-T44 VanDerWaalsContact O-OG1 3.14Å; C41-T44 PolarHBondContact O-N 3.22Å; T44-S46 PolarHBondContact O-N 2.91Å
45Y82.5Confident81.5Confident9 Ų977.4 Ų77.44%0.03541%0.411CS..THydrogen-bonded Turntrans-102.450-177.6-68-82.2000111.6C41 L47 Y50 E55 L56 C59 Y100 A101C41-Y45 PolarHBondContact O-N 3.26Å; Y45-L47 PolarHBondContact O-N 3.31Å; Y45-Y50 AromaticContact CD1-CD2 3.65Å; Y45-Y50 HydrophobicContact CD1-CD2 3.65Å; Y45-Y50 HydrophobicContact CD1-CE2 4.02Å; Y45-Y50 HydrophobicContact CD1-CG 4.04Å; Y45-Y50 HydrophobicContact CE1-CD2 4Å; Y45-Y50 AromaticContact CE1-CE2 3.87Å; Y45-Y50 HydrophobicContact CE1-CE2 3.87Å; Y45-E55 HydrophobicContact CD1-CB 3.76Å; Y45-E55 HydrophobicContact CE1-CB 3.8Å; Y45-E55 VanDerWaalsContact CE1-OE2 3.3Å; Y45-E55 WeakPolarHBondContact CE1-OE2 3.47Å; Y45-L56 VanDerWaalsContact O-CD1 3.3Å; Y45-L56 WeakPolarHBondContact O-CD1 3.08Å; Y45-C59 HydrophobicContact CD2-CB 4.08Å; Y45-C59 HydrophobicContact CE2-CB 4.12Å; Y45-Y100 WeakPolarHBondContact OH-CD1 3.49Å; Y45-A101 HydrophobicContact CE1-CB 4.18Å; Y45-A101 HydrophobicContact CE2-CB 3.92Å; Y45-A101 VanDerWaalsContact OH-CA 3.31Å; Y45-A101 WeakPolarHBondContact OH-CA 3.49Å; Y45-A101 WeakPolarHBondContact OH-CB 3.47Å
46S77.3Confident81.8Confident41 Ų4176.7 Ų76.729%0.28740%0.399SS..  trans-63.1134.3176.4720000110.9T44 H48 T49 Y50T44-S46 PolarHBondContact O-N 2.91Å; S46-H48 PolarHBondContact O-N 3.48Å; S46-T49 PolarHBondContact O-N 3.4Å; S46-T49 PolarHBondContact OG-OG1 3.28Å; S46-Y50 PolarHBondContact O-N 3.37Å
47L69.1Low81.9Confident118 Ų11880.8 Ų80.862%0.61841%0.407SS*.THydrogen-bonded Turntrans-51.9-22178.6-80.5159.5000115.2Y45 Y50 E53Y45-L47 PolarHBondContact O-N 3.31Å; L47-Y50 CarbonylContact C-O 3.55Å; L47-Y50 WeakPolarHBondContact CA-O 3.3Å; L47-E53 HydrophobicContact CD2-CG 3.67Å
48H66.8Low82Confident184 Ų18480.8 Ų80.885%0.85241%0.407SS*.THydrogen-bonded Turntrans-78.1-28.9176.7-173.6-68.7000112.7S46S46-H48 PolarHBondContact O-N 3.48Å
49T69.5Low82.2Confident103 Ų10378.1 Ų78.163%0.63240%0.395SS*.THydrogen-bonded Turntrans-101.7-33.1-177-51.80000111.3S46S46-T49 PolarHBondContact O-N 3.4Å; S46-T49 PolarHBondContact OG-OG1 3.28Å
50Y70.3Confident82.2Confident86 Ų8673.4 Ų73.434%0.33738%0.375SS..  trans-115.5117.8174.1-103.4-73.7000111Y45 S46 L47 R52 E55Y45-Y50 AromaticContact CD1-CD2 3.65Å; Y45-Y50 HydrophobicContact CD1-CD2 3.65Å; Y45-Y50 HydrophobicContact CD1-CE2 4.02Å; Y45-Y50 HydrophobicContact CD1-CG 4.04Å; Y45-Y50 HydrophobicContact CE1-CD2 4Å; Y45-Y50 AromaticContact CE1-CE2 3.87Å; Y45-Y50 HydrophobicContact CE1-CE2 3.87Å; S46-Y50 PolarHBondContact O-N 3.37Å; L47-Y50 CarbonylContact C-O 3.55Å; L47-Y50 WeakPolarHBondContact CA-O 3.3Å; Y50-R52 PolarHBondContact O-N 2.89Å; Y50-E55 WeakPolarHBondContact CD1-OE1 3.38Å; Y50-E55 WeakPolarHBondContact CD1-OE2 3.43Å; Y50-E55 WeakPolarHBondContact CE1-OE1 3.31Å; Y50-E55 WeakPolarHBondContact CE1-OE2 3.06Å
51P64.9Low82.3Confident123 Ų12378.3 Ų78.380%0.79939%0.387SS*.SBendtrans-79.5-1.2179.533.1-36.2000113.7
52R72.9Confident82.5Confident113 Ų11378.3 Ų78.343%0.42639%0.387SS..  trans-109.2121.9178.2-68.3-173.8-179.9173-1.7110.8Y50 E54 D97Y50-R52 PolarHBondContact O-N 2.89Å; R52-E54 VanDerWaalsContact C-N 3.27Å; R52-D97 IonicContact NH1-OD2 3.68Å
53E81.1Confident82.6Confident138 Ų13876.8 Ų76.865%0.64537%0.372SS*.Hα-helixtrans-73.4-20.8174.2-68.9177.7-179.200112.8L47 E55 L56 Y57L47-E53 HydrophobicContact CD2-CG 3.67Å; E53-E55 VanDerWaalsContact C-N 3.3Å; E53-E55 PolarHBondContact O-N 3.45Å; E53-L56 PolarHBondContact O-N 3.4Å; E53-Y57 PolarHBondContact O-N 2.91Å
54E86.1Confident82.9Confident99 Ų9975 Ų7546%0.46336%0.357SS..Hα-helixtrans-55.3-42.3-178.5-63.5168.6168.900112.1R52 Y57 A58R52-E54 VanDerWaalsContact C-N 3.27Å; E54-Y57 PolarHBondContact O-N 2.04Å; E54-A58 WeakPolarHBondContact O-CB 3.43Å; E54-A58 PolarHBondContact O-N 3.45Å
55E87.4Confident83.2Confident4 Ų473.5 Ų73.52%0.01935%0.347CS..Hα-helixtrans-72-39.9-178.8-62.5173.4-13200112.3Y45 Y50 E53 Y57 A58 C59 D97 A101Y45-E55 HydrophobicContact CD1-CB 3.76Å; Y45-E55 HydrophobicContact CE1-CB 3.8Å; Y45-E55 VanDerWaalsContact CE1-OE2 3.3Å; Y45-E55 WeakPolarHBondContact CE1-OE2 3.47Å; Y50-E55 WeakPolarHBondContact CD1-OE1 3.38Å; Y50-E55 WeakPolarHBondContact CD1-OE2 3.43Å; Y50-E55 WeakPolarHBondContact CE1-OE1 3.31Å; Y50-E55 WeakPolarHBondContact CE1-OE2 3.06Å; E53-E55 VanDerWaalsContact C-N 3.3Å; E53-E55 PolarHBondContact O-N 3.45Å; E55-Y57 VanDerWaalsContact C-N 3.3Å; E55-Y57 PolarHBondContact O-N 3.44Å; E55-A58 PolarHBondContact O-N 3.3Å; E55-C59 PolarHBondContact O-N 3.4Å; E55-D97 HydrophobicContact CG-CB 4.35Å; E55-A101 HydrophobicContact CB-CB 4.05Å; E55-A101 VanDerWaalsContact O-CB 3.27Å; E55-A101 WeakPolarHBondContact O-CB 3.27Å
56L89.8Confident83.7Confident43 Ų4373.2 Ų73.223%0.22535%0.345CS..Hα-helixtrans-62.1-41.2173.6177141.7000110.9Y45 E53 C59 Q60Y45-L56 VanDerWaalsContact O-CD1 3.3Å; Y45-L56 WeakPolarHBondContact O-CD1 3.08Å; E53-L56 PolarHBondContact O-N 3.4Å; L56-C59 PolarHBondContact O-N 2.95Å; L56-Q60 WeakPolarHBondContact O-CG 3.15Å; L56-Q60 PolarHBondContact O-N 2.69Å; L56-Q60 VanDerWaalsContact O-N 3.11Å
57Y89.8Confident84.3Confident143 Ų14371.6 Ų71.656%0.56133%0.334SS*.Hα-helixtrans-66.1-41.8175.3-172.6-100.1000112E53 E54 E55 C59 Q60 R61E53-Y57 PolarHBondContact O-N 2.91Å; E54-Y57 PolarHBondContact O-N 2.04Å; E55-Y57 VanDerWaalsContact C-N 3.3Å; E55-Y57 PolarHBondContact O-N 3.44Å; Y57-C59 PolarHBondContact O-N 2.88Å; Y57-Q60 PolarHBondContact O-N 3.48Å; Y57-R61 WeakPolarHBondContact O-CB 3.44Å; Y57-R61 PolarHBondContact O-N 2.9Å
58A92.9Very high85.2Confident0 Ų069 Ų690%032%0.321CS..Hα-helixtrans-61.3-41174.800000112.4E54 E55 R61 G62 Y93 E98 A101E54-A58 WeakPolarHBondContact O-CB 3.43Å; E54-A58 PolarHBondContact O-N 3.45Å; E55-A58 PolarHBondContact O-N 3.3Å; A58-R61 PolarHBondContact O-N 3.32Å; A58-G62 PolarHBondContact O-N 3.44Å; A58-Y93 HydrophobicContact CB-CE1 3.99Å; A58-Y93 HydrophobicContact CB-CE2 4.26Å; A58-E98 HydrophobicContact CB-CB 4.26Å; A58-A101 HydrophobicContact CB-CB 4.15Å
59C93.1Very high86.3Confident0 Ų060.8 Ų60.80%028%0.284CS..Hα-helixtrans-62.1-47.6174.9-172.40000112.3C41 Y45 E55 L56 Y57 R61 G62 C63 A101 G105C41-C59 HydrophobicContact CB-CB 3.72Å; C41-C59 WeakPolarHBondContact CB-SG 3.16Å; C41-C59 WeakPolarHBondContact SG-CB 3.47Å; C41-C59 CovalentContact SG-SG 2.04Å; C41-C59 PolarHBondContact SG-SG 3.35Å; Y45-C59 HydrophobicContact CD2-CB 4.08Å; Y45-C59 HydrophobicContact CE2-CB 4.12Å; E55-C59 PolarHBondContact O-N 3.4Å; L56-C59 PolarHBondContact O-N 2.95Å; Y57-C59 PolarHBondContact O-N 2.88Å; C59-R61 VanDerWaalsContact C-N 3.3Å; C59-R61 PolarHBondContact O-N 3.14Å; C59-G62 PolarHBondContact O-N 3.12Å; C59-G62 VanDerWaalsContact O-N 3.15Å; C59-C63 PolarHBondContact O-N 3.43Å; C59-C63 PolarHBondContact O-SG 3.02Å; C59-C63 VanDerWaalsContact O-SG 3.4Å; C59-A101 VanDerWaalsContact CA-O 3.28Å; C59-A101 WeakPolarHBondContact CA-O 3.38Å; C59-A101 HydrophobicContact CB-CB 4.35Å; C59-A101 WeakPolarHBondContact CB-O 3.3Å; C59-G105 WeakPolarHBondContact O-CA 2.95Å
60Q91.8Very high87.1Confident55 Ų5558.8 Ų58.826%0.25727%0.267SS..Hα-helixtrans-61.8-38.8175.7-69.4178.43.200112H38 C41 L56 Y57 G62 C63 R64H38-Q60 HydrophobicContact CB-CG 4.3Å; H38-Q60 PolarHBondContact NE2-O 3.43Å; C41-Q60 HydrophobicContact CB-CG 4.24Å; L56-Q60 WeakPolarHBondContact O-CG 3.15Å; L56-Q60 PolarHBondContact O-N 2.69Å; L56-Q60 VanDerWaalsContact O-N 3.11Å; Y57-Q60 PolarHBondContact O-N 3.48Å; Q60-G62 VanDerWaalsContact C-N 3.34Å; Q60-G62 PolarHBondContact O-N 2.93Å; Q60-C63 WeakPolarHBondContact O-CB 3.16Å; Q60-C63 PolarHBondContact O-N 2.89Å; Q60-R64 PolarHBondContact O-N 2.98Å
61R91.8Very high87.8Confident141 Ų14160.2 Ų60.253%0.53228%0.275SS..Hα-helixtrans-63.8-38.7174.7-162.5177.7-170.9163.20.2111.9Y57 A58 C59 R64 L65 Y93Y57-R61 WeakPolarHBondContact O-CB 3.44Å; Y57-R61 PolarHBondContact O-N 2.9Å; A58-R61 PolarHBondContact O-N 3.32Å; C59-R61 VanDerWaalsContact C-N 3.3Å; C59-R61 PolarHBondContact O-N 3.14Å; R61-R64 PolarHBondContact O-N 3.34Å; R61-L65 VanDerWaalsContact O-CB 3.3Å; R61-L65 WeakPolarHBondContact O-CB 3.21Å; R61-L65 PolarHBondContact O-N 2.93Å; R61-Y93 VanDerWaalsContact CD-OH 3.31Å; R61-Y93 WeakPolarHBondContact CD-OH 3.5Å
62G93.4Very high88.7Confident0 Ų059.4 Ų59.40%027%0.268CS..Hα-helixtrans-60.8-44172.100000113.3A58 C59 Q60 R64 L65 F66A58-G62 PolarHBondContact O-N 3.44Å; C59-G62 PolarHBondContact O-N 3.12Å; C59-G62 VanDerWaalsContact O-N 3.15Å; Q60-G62 VanDerWaalsContact C-N 3.34Å; Q60-G62 PolarHBondContact O-N 2.93Å; G62-R64 VanDerWaalsContact C-N 3.33Å; G62-R64 PolarHBondContact O-N 2.71Å; G62-L65 PolarHBondContact O-N 3.13Å; G62-F66 PolarHBondContact O-N 2.89Å
63C92.8Very high88.9Confident0 Ų058.6 Ų58.60%027%0.265CS..Hα-helixtrans-55.5-47.5173.8-60.10000111.7C37 C59 Q60C37-C63 VanDerWaalsContact C-SG 3.51Å; C37-C63 HydrophobicContact CB-CB 3.67Å; C37-C63 WeakPolarHBondContact CB-SG 3.3Å; C37-C63 WeakPolarHBondContact SG-CB 3.42Å; C37-C63 CovalentContact SG-SG 2.03Å; C37-C63 PolarHBondContact SG-SG 3.23Å; C59-C63 PolarHBondContact O-N 3.43Å; C59-C63 PolarHBondContact O-SG 3.02Å; C59-C63 VanDerWaalsContact O-SG 3.4Å; Q60-C63 WeakPolarHBondContact O-CB 3.16Å; Q60-C63 PolarHBondContact O-N 2.89Å
64R92.1Very high88.3Confident109 Ų10959.1 Ų59.141%0.41127%0.272SS..Hα-helixtrans-68.5-37.2178.7-175.4176.3179.5169.93.2112.7T34 Q60 R61 G62 S67 I68T34-R64 HydrophobicContact CG2-CB 4.45Å; Q60-R64 PolarHBondContact O-N 2.98Å; R61-R64 PolarHBondContact O-N 3.34Å; G62-R64 VanDerWaalsContact C-N 3.33Å; G62-R64 PolarHBondContact O-N 2.71Å; R64-S67 PolarHBondContact O-N 3.39Å; R64-I68 HydrophobicContact CG-CD1 4.19Å; R64-I68 WeakPolarHBondContact O-CG1 3.36Å; R64-I68 PolarHBondContact O-N 3.25Å
65L92.4Very high87.5Confident35 Ų3555.4 Ų55.418%0.18326%0.257CS..Hα-helixtrans-62.6-43.5178.5-178.260.6000111.5R61 G62 S67 I68 C69 T88R61-L65 VanDerWaalsContact O-CB 3.3Å; R61-L65 WeakPolarHBondContact O-CB 3.21Å; R61-L65 PolarHBondContact O-N 2.93Å; G62-L65 PolarHBondContact O-N 3.13Å; L65-S67 VanDerWaalsContact C-N 3.35Å; L65-S67 PolarHBondContact O-N 3.13Å; L65-I68 WeakPolarHBondContact O-CB 3.42Å; L65-I68 PolarHBondContact O-N 3.25Å; L65-I68 VanDerWaalsContact O-N 3.08Å; L65-C69 PolarHBondContact O-N 2.99Å; L65-C69 PolarHBondContact O-SG 3.37Å; L65-C69 VanDerWaalsContact O-SG 3.4Å; L65-T88 HydrophobicContact CD1-CG2 4.04Å; L65-T88 HydrophobicContact CD2-CG2 3.93Å
66F92.3Very high86.7Confident2 Ų261.4 Ų61.41%0.00929%0.289CS..Hα-helixtrans-56.6-47.7176.2-177.6-81.9000111.8G62 I68 C69 H70 T81 R82 C85 Q109 L110 A113G62-F66 PolarHBondContact O-N 2.89Å; F66-I68 VanDerWaalsContact C-N 3.26Å; F66-I68 PolarHBondContact O-N 2.91Å; F66-C69 PolarHBondContact O-N 3.49Å; F66-H70 WeakPolarHBondContact O-CB 3.4Å; F66-H70 PolarHBondContact O-N 2.86Å; F66-T81 HydrophobicContact CD2-CG2 4.23Å; F66-T81 HydrophobicContact CE1-CG2 4.25Å; F66-T81 HydrophobicContact CE2-CG2 3.89Å; F66-T81 HydrophobicContact CZ-CG2 3.9Å; F66-R82 HydrophobicContact CE2-CB 4.05Å; F66-C85 VanDerWaalsContact CA-SG 3.58Å; F66-C85 HydrophobicContact CB-CB 4.45Å; F66-C85 HydrophobicContact CD2-CB 4.29Å; F66-C85 PolarHBondContact N-SG 3.11Å; F66-C85 VanDerWaalsContact N-SG 3.38Å; F66-Q109 HydrophobicContact CB-CB 3.99Å; F66-Q109 HydrophobicContact CB-CG 4Å; F66-Q109 HydrophobicContact CD1-CB 3.9Å; F66-Q109 HydrophobicContact CD1-CG 3.43Å; F66-Q109 VanDerWaalsContact CD1-CG 3.43Å; F66-Q109 HydrophobicContact CE1-CG 4.21Å; F66-Q109 HydrophobicContact CG-CB 3.93Å; F66-Q109 HydrophobicContact CG-CG 3.92Å; F66-L110 HydrophobicContact CE2-CD1 3.99Å; F66-L110 HydrophobicContact CZ-CD1 3.86Å; F66-A113 HydrophobicContact CE1-CB 3.72Å; F66-A113 HydrophobicContact CZ-CB 4.3Å
67S89.5Confident86.6Confident7 Ų764.5 Ų64.55%0.04931%0.306CS..Hα-helixtrans-60.4-33.8176.7-75.60000113.3L31 R64 L65 F71L31-S67 WeakPolarHBondContact O-CB 3.44Å; L31-S67 PolarHBondContact O-OG 3.1Å; R64-S67 PolarHBondContact O-N 3.39Å; L65-S67 VanDerWaalsContact C-N 3.35Å; L65-S67 PolarHBondContact O-N 3.13Å; S67-F71 WeakPolarHBondContact O-CB 3.46Å; S67-F71 PolarHBondContact O-N 3.09Å; S67-F71 VanDerWaalsContact O-N 3.08Å
68I88.7Confident86.5Confident65 Ų6558.6 Ų58.633%0.33328%0.284SS..Hα-helixtrans-70.3-47.5175.5-65.3164.9000110.4L31 R64 L65 F66 H70 F71 V72L31-I68 HydrophobicContact CD1-CD1 4.49Å; L31-I68 HydrophobicContact CD1-CG1 3.79Å; L31-I68 HydrophobicContact CD2-CG1 4.09Å; R64-I68 HydrophobicContact CG-CD1 4.19Å; R64-I68 WeakPolarHBondContact O-CG1 3.36Å; R64-I68 PolarHBondContact O-N 3.25Å; L65-I68 WeakPolarHBondContact O-CB 3.42Å; L65-I68 PolarHBondContact O-N 3.25Å; L65-I68 VanDerWaalsContact O-N 3.08Å; F66-I68 VanDerWaalsContact C-N 3.26Å; F66-I68 PolarHBondContact O-N 2.91Å; I68-H70 VanDerWaalsContact C-N 3.29Å; I68-H70 PolarHBondContact O-N 2.79Å; I68-F71 PolarHBondContact O-N 3.41Å; I68-V72 HydrophobicContact CG2-CG2 4.16Å; I68-V72 WeakPolarHBondContact O-CB 3.36Å; I68-V72 VanDerWaalsContact O-CG2 3.31Å; I68-V72 WeakPolarHBondContact O-CG2 3.2Å; I68-V72 PolarHBondContact O-N 3.38Å
69C89.3Confident86.4Confident11 Ų1164 Ų647%0.07431%0.313CS..Hα-helixtrans-57.6-42.8176.4-65.80000111.5L65 F66 R73 T81L65-C69 PolarHBondContact O-N 2.99Å; L65-C69 PolarHBondContact O-SG 3.37Å; L65-C69 VanDerWaalsContact O-SG 3.4Å; F66-C69 PolarHBondContact O-N 3.49Å; C69-R73 PolarHBondContact O-N 2.82Å; C69-T81 HydrophobicContact CB-CG2 3.84Å
70H86.9Confident86.4Confident61 Ų6167.9 Ų67.928%0.28233%0.331SS..Hα-helixtrans-59.6-50.3175.9-172.8-71.7000111.6F66 I68 D74 L78 T81F66-H70 WeakPolarHBondContact O-CB 3.4Å; F66-H70 PolarHBondContact O-N 2.86Å; I68-H70 VanDerWaalsContact C-N 3.29Å; I68-H70 PolarHBondContact O-N 2.79Å; H70-D74 PolarHBondContact O-N 3.03Å; H70-L78 VanDerWaalsContact CD2-CD2 3.43Å; H70-L78 WeakPolarHBondContact CD2-CD2 3.43Å; H70-L78 WeakPolarHBondContact NE2-CD2 3.3Å; H70-T81 HydrophobicContact CB-CG2 3.86Å
71F84.2Confident86.3Confident115 Ų11565.2 Ų65.250%0.50432%0.318SS..Hα-helixtrans-67.6-36.7-177.2177.9-97.5000113.4V30 L31 S67 I68V30-F71 HydrophobicContact CG1-CD2 3.95Å; V30-F71 HydrophobicContact CG1-CE2 3.45Å; V30-F71 VanDerWaalsContact CG1-CE2 3.45Å; V30-F71 HydrophobicContact CG1-CZ 3.78Å; L31-F71 HydrophobicContact CD2-CB 3.81Å; L31-F71 HydrophobicContact CD2-CD1 4.29Å; L31-F71 HydrophobicContact CD2-CG 4.04Å; S67-F71 WeakPolarHBondContact O-CB 3.46Å; S67-F71 PolarHBondContact O-N 3.09Å; S67-F71 VanDerWaalsContact O-N 3.08Å; I68-F71 PolarHBondContact O-N 3.41Å
72V85Confident86.4Confident107 Ų10761.8 Ų61.865%0.64831%0.306SS*.Hα-helixtrans-72.4-31.5-178.3169.60000112.3I68I68-V72 HydrophobicContact CG2-CG2 4.16Å; I68-V72 WeakPolarHBondContact O-CB 3.36Å; I68-V72 VanDerWaalsContact O-CG2 3.31Å; I68-V72 WeakPolarHBondContact O-CG2 3.2Å; I68-V72 PolarHBondContact O-N 3.38Å
73R75.9Confident86.4Confident95 Ų9565.7 Ų65.736%0.35833%0.33SS..Hα-helixtrans-91.8-23.1-175.2-73.2-170.855.8123.511.3115.3C69 S75 E84C69-R73 PolarHBondContact O-N 2.82Å; R73-S75 WeakPolarHBondContact CB-OG 3.41Å; R73-S75 PolarHBondContact O-N 2.83Å; R73-S75 VanDerWaalsContact O-N 3.15Å; R73-E84 WeakPolarHBondContact CD-OE2 3.28Å; R73-E84 IonicContact CZ-OE2 2.69Å; R73-E84 IonicContact NE-OE2 3.55Å; R73-E84 IonicContact NH1-OE2 3.33Å; R73-E84 PolarHBondContact NH1-OE2 3.19Å
74D69.7Low86.4Confident150 Ų15068.7 Ų68.780%0.80234%0.343SS*.THydrogen-bonded Turntrans4938-174.3-152.130.8000112H70H70-D74 PolarHBondContact O-N 3.03Å
75S67.9Low86.5Confident20 Ų2063.5 Ų63.514%0.1432%0.324CS..  trans-107.6121.7-172.459.10000111.3R73 D77R73-S75 WeakPolarHBondContact CB-OG 3.41Å; R73-S75 PolarHBondContact O-N 2.83Å; R73-S75 VanDerWaalsContact O-N 3.15Å; S75-D77 PolarHBondContact O-N 2.94Å; S75-D77 VanDerWaalsContact O-N 3.11Å
76D71.4Confident86.6Confident130 Ų13063.6 Ų63.670%0.69532%0.323SS*.SBendtrans-57.8-23.6176.2-60.2-56.1000113.2L78 Q117D76-L78 PolarHBondContact O-N 3.29Å; D76-Q117 PolarHBondContact OD1-NE2 3.43Å
77D87Confident86.7Confident108 Ų10866.5 Ų66.558%0.57834%0.344SS*.  trans-73.480.3178.7-78.6-40.5000112.8S75 N79 Q80 T81S75-D77 PolarHBondContact O-N 2.94Å; S75-D77 VanDerWaalsContact O-N 3.11Å; D77-N79 PolarHBondContact O-N 3.36Å; D77-N79 VanDerWaalsContact O-N 3.11Å; D77-Q80 HydrophobicContact CB-CB 3.96Å; D77-Q80 WeakPolarHBondContact O-CB 3.05Å; D77-Q80 PolarHBondContact O-N 3.4Å; D77-T81 PolarHBondContact O-N 3.36Å; D77-T81 PolarHBondContact O-OG1 2.93Å
78L88.6Confident87Confident19 Ų1968.5 Ų68.510%0.09936%0.356CS..Hα-helixtrans-52.5-33174.6-60.9-177.7000113.6H70 D76 T81 R82 L110 A113 E114H70-L78 VanDerWaalsContact CD2-CD2 3.43Å; H70-L78 WeakPolarHBondContact CD2-CD2 3.43Å; H70-L78 WeakPolarHBondContact NE2-CD2 3.3Å; D76-L78 PolarHBondContact O-N 3.29Å; L78-T81 PolarHBondContact O-N 2.97Å; L78-R82 WeakPolarHBondContact O-CB 3.42Å; L78-R82 PolarHBondContact O-N 3.19Å; L78-L110 HydrophobicContact CB-CD1 3.7Å; L78-A113 HydrophobicContact CD1-CB 4.28Å; L78-A113 HydrophobicContact CD2-CB 3.97Å; L78-E114 HydrophobicContact CD1-CB 3.75Å; L78-E114 HydrophobicContact CD1-CG 4.41Å
79N91.6Very high87.3Confident114 Ų11465.4 Ų65.461%0.6134%0.34SS*.Hα-helixtrans-66.7-34.4175.6-77-49.9000112.9D77 R82 T83D77-N79 PolarHBondContact O-N 3.36Å; D77-N79 VanDerWaalsContact O-N 3.11Å; N79-R82 WeakPolarHBondContact O-CB 3.09Å; N79-T83 PolarHBondContact O-N 3.08Å
80Q91.3Very high87.5Confident81 Ų8172.6 Ų72.638%0.37937%0.366SS..Hα-helixtrans-70.2-48.5175.2-173.4170.436.600110D77 R82 T83 E84D77-Q80 HydrophobicContact CB-CB 3.96Å; D77-Q80 WeakPolarHBondContact O-CB 3.05Å; D77-Q80 PolarHBondContact O-N 3.4Å; Q80-R82 PolarHBondContact O-N 3.32Å; Q80-T83 PolarHBondContact O-N 3.43Å; Q80-T83 PolarHBondContact O-OG1 3.4Å; Q80-E84 PolarHBondContact O-N 3.24Å
81T91.3Very high87.9Confident0 Ų077.7 Ų77.70%039%0.39CS..Hα-helixtrans-51.6-41.7173.9-59.30000112.3F66 C69 H70 D77 L78 E84 C85F66-T81 HydrophobicContact CD2-CG2 4.23Å; F66-T81 HydrophobicContact CE1-CG2 4.25Å; F66-T81 HydrophobicContact CE2-CG2 3.89Å; F66-T81 HydrophobicContact CZ-CG2 3.9Å; C69-T81 HydrophobicContact CB-CG2 3.84Å; H70-T81 HydrophobicContact CB-CG2 3.86Å; D77-T81 PolarHBondContact O-N 3.36Å; D77-T81 PolarHBondContact O-OG1 2.93Å; L78-T81 PolarHBondContact O-N 2.97Å; T81-E84 PolarHBondContact O-N 2.87Å; T81-C85 WeakPolarHBondContact O-CB 3.04Å; T81-C85 PolarHBondContact O-N 3.3Å
82R92.8Very high88.3Confident69 Ų6975.3 Ų75.326%0.2639%0.391SS..Hα-helixtrans-58.6-52.4173.1179.5-166.7165.2154.98.3112.2F66 L78 N79 Q80 E84 C85 E86 H107 L110F66-R82 HydrophobicContact CE2-CB 4.05Å; L78-R82 WeakPolarHBondContact O-CB 3.42Å; L78-R82 PolarHBondContact O-N 3.19Å; N79-R82 WeakPolarHBondContact O-CB 3.09Å; Q80-R82 PolarHBondContact O-N 3.32Å; R82-E84 PolarHBondContact O-N 3.08Å; R82-C85 WeakPolarHBondContact O-CB 3.34Å; R82-C85 PolarHBondContact O-N 3.02Å; R82-E86 IonicContact CZ-OE1 2.98Å; R82-E86 IonicContact NE-OE1 2.69Å; R82-E86 PolarHBondContact NE-OE1 3.44Å; R82-E86 IonicContact NH2-OE1 2.76Å; R82-E86 PolarHBondContact NH2-OE1 3.25Å; R82-E86 WeakPolarHBondContact O-CG 3.5Å; R82-E86 PolarHBondContact O-N 3.4Å; R82-H107 PolarHBondContact NH1-CD2 3.05Å; R82-H107 PolarHBondContact NH1-NE2 3.12Å; R82-H107 PolarHBondContact NH2-CD2 3.41Å; R82-L110 HydrophobicContact CB-CD1 4.39Å
83T93.3Very high88.6Confident82 Ų8271.3 Ų71.350%0.50337%0.365SS..Hα-helixtrans-63.3-31-177.656.20000112.5N79 Q80 S87N79-T83 PolarHBondContact O-N 3.08Å; Q80-T83 PolarHBondContact O-N 3.43Å; Q80-T83 PolarHBondContact O-OG1 3.4Å; T83-S87 WeakPolarHBondContact O-CB 3.08Å; T83-S87 PolarHBondContact O-N 3.27Å
84E93.4Very high89.4Confident62 Ų6273.4 Ų73.429%0.2939%0.388SS..Hα-helixtrans-70.9-46.2174.9-166.4162.5142.900111.6R73 Q80 T81 R82 E86 S87 T88R73-E84 WeakPolarHBondContact CD-OE2 3.28Å; R73-E84 IonicContact CZ-OE2 2.69Å; R73-E84 IonicContact NE-OE2 3.55Å; R73-E84 IonicContact NH1-OE2 3.33Å; R73-E84 PolarHBondContact NH1-OE2 3.19Å; Q80-E84 PolarHBondContact O-N 3.24Å; T81-E84 PolarHBondContact O-N 2.87Å; R82-E84 PolarHBondContact O-N 3.08Å; E84-E86 PolarHBondContact O-N 2.04Å; E84-S87 PolarHBondContact O-N 2.93Å; E84-S87 VanDerWaalsContact O-N 3.12Å; E84-S87 PolarHBondContact O-OG 3.39Å; E84-T88 PolarHBondContact O-N 3.25Å; E84-T88 PolarHBondContact O-OG1 3.03Å; E84-T88 VanDerWaalsContact O-OG1 3.14Å
85C94.3Very high90.5Very high0 Ų069.5 Ų69.50%037%0.365CS..Hα-helixtrans-55.7-47.8171.6-173.50000111.7F66 T81 R82 S87 T88 C89 C106F66-C85 VanDerWaalsContact CA-SG 3.58Å; F66-C85 HydrophobicContact CB-CB 4.45Å; F66-C85 HydrophobicContact CD2-CB 4.29Å; F66-C85 PolarHBondContact N-SG 3.11Å; F66-C85 VanDerWaalsContact N-SG 3.38Å; T81-C85 WeakPolarHBondContact O-CB 3.04Å; T81-C85 PolarHBondContact O-N 3.3Å; R82-C85 WeakPolarHBondContact O-CB 3.34Å; R82-C85 PolarHBondContact O-N 3.02Å; C85-S87 VanDerWaalsContact C-N 3.35Å; C85-S87 PolarHBondContact O-N 3.23Å; C85-T88 PolarHBondContact O-N 2.94Å; C85-C89 PolarHBondContact O-N 3.03Å; C85-C89 PolarHBondContact O-SG 3.05Å; C85-C106 HydrophobicContact CB-CB 3.79Å; C85-C106 WeakPolarHBondContact CB-SG 3.44Å; C85-C106 WeakPolarHBondContact SG-CB 3.35Å; C85-C106 CovalentContact SG-SG 2.04Å; C85-C106 PolarHBondContact SG-SG 3.2Å
86E94.8Very high91.5Very high37 Ų3772.6 Ų72.617%0.17339%0.385CS..Hα-helixtrans-60.6-41.9175.6-72.4-177.6-16500111.5R82 E84 C89 R90 N103 C106R82-E86 IonicContact CZ-OE1 2.98Å; R82-E86 IonicContact NE-OE1 2.69Å; R82-E86 PolarHBondContact NE-OE1 3.44Å; R82-E86 IonicContact NH2-OE1 2.76Å; R82-E86 PolarHBondContact NH2-OE1 3.25Å; R82-E86 WeakPolarHBondContact O-CG 3.5Å; R82-E86 PolarHBondContact O-N 3.4Å; E84-E86 PolarHBondContact O-N 2.04Å; E86-C89 WeakPolarHBondContact O-CB 3.46Å; E86-C89 PolarHBondContact O-N 3.28Å; E86-R90 WeakPolarHBondContact O-CG 3.1Å; E86-R90 PolarHBondContact O-N 3.48Å; E86-N103 WeakPolarHBondContact CA-OD1 3.45Å; E86-N103 HydrophobicContact CG-CB 4.36Å; E86-N103 PolarHBondContact O-OD1 3.23Å; E86-C106 HydrophobicContact CG-CB 4.4Å
87S94.4Very high92.4Very high64 Ų6469.7 Ų69.745%0.44837%0.37SS..Hα-helixtrans-63.4-42.5177.875.70000112.5T83 E84 C85 R90 E91T83-S87 WeakPolarHBondContact O-CB 3.08Å; T83-S87 PolarHBondContact O-N 3.27Å; E84-S87 PolarHBondContact O-N 2.93Å; E84-S87 VanDerWaalsContact O-N 3.12Å; E84-S87 PolarHBondContact O-OG 3.39Å; C85-S87 VanDerWaalsContact C-N 3.35Å; C85-S87 PolarHBondContact O-N 3.23Å; S87-R90 WeakPolarHBondContact O-CB 3.41Å; S87-R90 PolarHBondContact O-N 3.38Å; S87-R90 VanDerWaalsContact O-N 3.07Å; S87-E91 PolarHBondContact O-N 2.92Å
88T94.8Very high92.5Very high49 Ų4966 Ų6630%0.30135%0.349SS..Hα-helixtrans-68.3-35.3176-53.80000111.7L65 E84 C85 R90 E91 A92L65-T88 HydrophobicContact CD1-CG2 4.04Å; L65-T88 HydrophobicContact CD2-CG2 3.93Å; E84-T88 PolarHBondContact O-N 3.25Å; E84-T88 PolarHBondContact O-OG1 3.03Å; E84-T88 VanDerWaalsContact O-OG1 3.14Å; C85-T88 PolarHBondContact O-N 2.94Å; T88-R90 VanDerWaalsContact C-N 3.27Å; T88-R90 PolarHBondContact O-N 3.4Å; T88-E91 PolarHBondContact O-N 2.04Å; T88-A92 WeakPolarHBondContact O-CB 3.31Å; T88-A92 PolarHBondContact O-N 3.38Å
89C95.1Very high92.8Very high0 Ų067.5 Ų67.50%036%0.355CS..Hα-helixtrans-59.6-35.9168.5-76.40000112.3C85 E86 E91 Y93 C102 N103C85-C89 PolarHBondContact O-N 3.03Å; C85-C89 PolarHBondContact O-SG 3.05Å; E86-C89 WeakPolarHBondContact O-CB 3.46Å; E86-C89 PolarHBondContact O-N 3.28Å; C89-E91 VanDerWaalsContact C-N 3.35Å; C89-Y93 PolarHBondContact O-N 2.97Å; C89-C102 HydrophobicContact CB-CB 3.67Å; C89-C102 WeakPolarHBondContact CB-SG 3.4Å; C89-C102 WeakPolarHBondContact SG-CB 3.21Å; C89-C102 CovalentContact SG-SG 2.04Å; C89-C102 PolarHBondContact SG-SG 2.94Å; C89-N103 WeakPolarHBondContact CB-OD1 2.95Å
90R94.5Very high92.8Very high161 Ų16168.8 Ų68.861%0.60835%0.352SS*.Hα-helixtrans-70.9-27.2175.7-49.3-152.3-177.3179.8-0.9114.2E86 S87 T88 Q99E86-R90 WeakPolarHBondContact O-CG 3.1Å; E86-R90 PolarHBondContact O-N 3.48Å; S87-R90 WeakPolarHBondContact O-CB 3.41Å; S87-R90 PolarHBondContact O-N 3.38Å; S87-R90 VanDerWaalsContact O-N 3.07Å; T88-R90 VanDerWaalsContact C-N 3.27Å; T88-R90 PolarHBondContact O-N 3.4Å; R90-Q99 VanDerWaalsContact CA-NE2 3.34Å; R90-Q99 VanDerWaalsContact CB-NE2 3.29Å; R90-Q99 VanDerWaalsContact CG-NE2 3.31Å
91E93.9Very high92.9Very high169 Ų16964.9 Ų64.979%0.7933%0.334SS*.Hα-helixtrans-82.2-37.6176.1-171.4176.8175.100111.6S87 T88 C89S87-E91 PolarHBondContact O-N 2.92Å; T88-E91 PolarHBondContact O-N 2.04Å; C89-E91 VanDerWaalsContact C-N 3.35Å
92A93.3Very high93.1Very high65 Ų6565 Ų6554%0.53734%0.335SS..Hα-helixtrans-75.3-29.1-176.200000114.6T88T88-A92 WeakPolarHBondContact O-CB 3.31Å; T88-A92 PolarHBondContact O-N 3.38Å
93Y92.3Very high93.2Very high22 Ų2263 Ų639%0.08633%0.329CS..  trans-121.8122.7-173.1-70.8-78.7000112.3A58 R61 C89 E98 C102A58-Y93 HydrophobicContact CB-CE1 3.99Å; A58-Y93 HydrophobicContact CB-CE2 4.26Å; R61-Y93 VanDerWaalsContact CD-OH 3.31Å; R61-Y93 WeakPolarHBondContact CD-OH 3.5Å; C89-Y93 PolarHBondContact O-N 2.97Å; Y93-E98 HydrophobicContact CD1-CB 3.44Å; Y93-E98 VanDerWaalsContact CD1-CB 3.44Å; Y93-E98 HydrophobicContact CD1-CG 4.25Å; Y93-E98 HydrophobicContact CE1-CB 3.94Å; Y93-E98 HydrophobicContact CG-CB 4.02Å; Y93-C102 HydrophobicContact CD2-CB 3.91Å; Y93-C102 HydrophobicContact CE2-CB 3.9Å
94T91.3Very high93.2Very high140 Ų14061 Ų6186%0.85932%0.315SS*.  trans-90.3-20.5176.654.80000113.4
95Q92.6Very high93.2Very high67 Ų6758 Ų5831%0.31330%0.301SS..SBendtrans-84.2136173.4-61.6-169.573.100110.6D97 E98 Q99Q95-D97 VanDerWaalsContact C-N 3.31Å; Q95-D97 PolarHBondContact O-N 3.29Å; Q95-E98 HydrophobicContact CB-CB 4.34Å; Q95-E98 HydrophobicContact CB-CG 4.05Å; Q95-E98 WeakPolarHBondContact CB-OE2 3.47Å; Q95-E98 WeakPolarHBondContact CG-OE2 3.45Å; Q95-E98 VanDerWaalsContact NE2-CD 3.33Å; Q95-E98 PolarHBondContact NE2-OE2 3.41Å; Q95-Q99 WeakPolarHBondContact O-CB 3.46Å; Q95-Q99 PolarHBondContact O-N 3.29Å
96P90Very high93.2Very high86 Ų8658 Ų5856%0.55830%0.301SS*.Hα-helixtrans-66.4-32.7-177.627.8-34.9000112.7Y100P96-Y100 VanDerWaalsContact O-CB 3.3Å; P96-Y100 WeakPolarHBondContact O-CB 3.47Å; P96-Y100 PolarHBondContact O-N 3.15Å
97D89.4Confident93.1Very high69 Ų6959.9 Ų59.937%0.36931%0.31SS..Hα-helixtrans-70.5-48.4-177-49.5-40.8000110.7R52 E55 Q95 Y100 A101R52-D97 IonicContact NH1-OD2 3.68Å; E55-D97 HydrophobicContact CG-CB 4.35Å; Q95-D97 VanDerWaalsContact C-N 3.31Å; Q95-D97 PolarHBondContact O-N 3.29Å; D97-Y100 PolarHBondContact O-N 3.03Å; D97-A101 WeakPolarHBondContact O-CB 3.43Å; D97-A101 PolarHBondContact O-N 2.94Å
98E90.5Very high92.9Very high30 Ų3058 Ų5814%0.1430%0.295CS..Hα-helixtrans-63.3-41.4174-57.5-179.7118.100111.9A58 Y93 Q95 A101 C102A58-E98 HydrophobicContact CB-CB 4.26Å; Y93-E98 HydrophobicContact CD1-CB 3.44Å; Y93-E98 VanDerWaalsContact CD1-CB 3.44Å; Y93-E98 HydrophobicContact CD1-CG 4.25Å; Y93-E98 HydrophobicContact CE1-CB 3.94Å; Y93-E98 HydrophobicContact CG-CB 4.02Å; Q95-E98 HydrophobicContact CB-CB 4.34Å; Q95-E98 HydrophobicContact CB-CG 4.05Å; Q95-E98 WeakPolarHBondContact CB-OE2 3.47Å; Q95-E98 WeakPolarHBondContact CG-OE2 3.45Å; Q95-E98 VanDerWaalsContact NE2-CD 3.33Å; Q95-E98 PolarHBondContact NE2-OE2 3.41Å; E98-A101 PolarHBondContact O-N 3.24Å; E98-C102 WeakPolarHBondContact O-CB 3.37Å; E98-C102 PolarHBondContact O-N 3.43Å
99Q93.6Very high92.6Very high50 Ų5056.2 Ų56.223%0.23428%0.283CS..Hα-helixtrans-62.1-43.7176.8-175.5-173.225.100111.3R90 Q95 C102 N103R90-Q99 VanDerWaalsContact CA-NE2 3.34Å; R90-Q99 VanDerWaalsContact CB-NE2 3.29Å; R90-Q99 VanDerWaalsContact CG-NE2 3.31Å; Q95-Q99 WeakPolarHBondContact O-CB 3.46Å; Q95-Q99 PolarHBondContact O-N 3.29Å; Q99-C102 PolarHBondContact O-N 3.49Å; Q99-N103 PolarHBondContact O-N 2.89Å; Q99-N103 PolarHBondContact O-ND2 3.01Å; Q99-N103 VanDerWaalsContact O-ND2 3.13Å
100Y92.8Very high92.3Very high141 Ų14157.2 Ų57.255%0.55329%0.288SS*.Hα-helixtrans-63.9-43.1174.9179.5-99.2000111.6Y45 P96 D97 C102 N103 M104Y45-Y100 WeakPolarHBondContact OH-CD1 3.49Å; P96-Y100 VanDerWaalsContact O-CB 3.3Å; P96-Y100 WeakPolarHBondContact O-CB 3.47Å; P96-Y100 PolarHBondContact O-N 3.15Å; D97-Y100 PolarHBondContact O-N 3.03Å; Y100-C102 PolarHBondContact O-N 3.2Å; Y100-N103 PolarHBondContact O-N 3.04Å; Y100-M104 HydrophobicContact CD1-CG 4.17Å; Y100-M104 HydrophobicContact CE1-CG 3.67Å; Y100-M104 HydrophobicContact CE1-SD 4.47Å; Y100-M104 HydrophobicContact CE2-CG 4.33Å; Y100-M104 WeakPolarHBondContact O-CG 3.32Å; Y100-M104 PolarHBondContact O-N 2.98Å
101A93.4Very high92Very high0 Ų052.8 Ų52.80%028%0.28CS..Hα-helixtrans-61.7-42.5176.300000112.4Y45 E55 A58 C59 D97 E98 M104 G105Y45-A101 HydrophobicContact CE1-CB 4.18Å; Y45-A101 HydrophobicContact CE2-CB 3.92Å; Y45-A101 VanDerWaalsContact OH-CA 3.31Å; Y45-A101 WeakPolarHBondContact OH-CA 3.49Å; Y45-A101 WeakPolarHBondContact OH-CB 3.47Å; E55-A101 HydrophobicContact CB-CB 4.05Å; E55-A101 VanDerWaalsContact O-CB 3.27Å; E55-A101 WeakPolarHBondContact O-CB 3.27Å; A58-A101 HydrophobicContact CB-CB 4.15Å; C59-A101 VanDerWaalsContact CA-O 3.28Å; C59-A101 WeakPolarHBondContact CA-O 3.38Å; C59-A101 HydrophobicContact CB-CB 4.35Å; C59-A101 WeakPolarHBondContact CB-O 3.3Å; D97-A101 WeakPolarHBondContact O-CB 3.43Å; D97-A101 PolarHBondContact O-N 2.94Å; E98-A101 PolarHBondContact O-N 3.24Å; A101-M104 WeakPolarHBondContact O-CB 3.06Å; A101-M104 PolarHBondContact O-N 3.49Å; A101-G105 PolarHBondContact O-N 2.69Å
102C94.8Very high91.5Very high2 Ų248 Ų481%0.01426%0.257CS..Hα-helixtrans-60.3-47174.1-170.50000111.8C89 Y93 E98 Q99 Y100 M104 G105 C106C89-C102 HydrophobicContact CB-CB 3.67Å; C89-C102 WeakPolarHBondContact CB-SG 3.4Å; C89-C102 WeakPolarHBondContact SG-CB 3.21Å; C89-C102 CovalentContact SG-SG 2.04Å; C89-C102 PolarHBondContact SG-SG 2.94Å; Y93-C102 HydrophobicContact CD2-CB 3.91Å; Y93-C102 HydrophobicContact CE2-CB 3.9Å; E98-C102 WeakPolarHBondContact O-CB 3.37Å; E98-C102 PolarHBondContact O-N 3.43Å; Q99-C102 PolarHBondContact O-N 3.49Å; Y100-C102 PolarHBondContact O-N 3.2Å; C102-M104 VanDerWaalsContact C-N 3.32Å; C102-M104 PolarHBondContact O-N 3.3Å; C102-G105 WeakPolarHBondContact O-CA 3.46Å; C102-G105 PolarHBondContact O-N 3.01Å; C102-C106 PolarHBondContact O-N 2.84Å
103N94.8Very high91.1Very high27 Ų2745.4 Ų45.414%0.14424%0.236CC..Hα-helixtrans-61.6-38.7175.9-66.3-28000112.2E86 C89 Q99 Y100 G105 C106 H107E86-N103 WeakPolarHBondContact CA-OD1 3.45Å; E86-N103 HydrophobicContact CG-CB 4.36Å; E86-N103 PolarHBondContact O-OD1 3.23Å; C89-N103 WeakPolarHBondContact CB-OD1 2.95Å; Q99-N103 PolarHBondContact O-N 2.89Å; Q99-N103 PolarHBondContact O-ND2 3.01Å; Q99-N103 VanDerWaalsContact O-ND2 3.13Å; Y100-N103 PolarHBondContact O-N 3.04Å; N103-G105 VanDerWaalsContact C-N 3.31Å; N103-G105 PolarHBondContact O-N 3.24Å; N103-C106 WeakPolarHBondContact O-CB 3.48Å; N103-C106 PolarHBondContact O-N 3.45Å; N103-H107 PolarHBondContact O-N 2.77Å
104M92.7Very high90.8Very high40 Ų4049.6 Ų49.620%0.19726%0.256CS..Hα-helixtrans-63-35.9172.7-80.2-63.8-59.900112.2Y100 A101 C102 H107 N108Y100-M104 HydrophobicContact CD1-CG 4.17Å; Y100-M104 HydrophobicContact CE1-CG 3.67Å; Y100-M104 HydrophobicContact CE1-SD 4.47Å; Y100-M104 HydrophobicContact CE2-CG 4.33Å; Y100-M104 WeakPolarHBondContact O-CG 3.32Å; Y100-M104 PolarHBondContact O-N 2.98Å; A101-M104 WeakPolarHBondContact O-CB 3.06Å; A101-M104 PolarHBondContact O-N 3.49Å; C102-M104 VanDerWaalsContact C-N 3.32Å; C102-M104 PolarHBondContact O-N 3.3Å; M104-H107 PolarHBondContact O-N 2.76Å; M104-N108 VanDerWaalsContact O-CB 3.3Å; M104-N108 WeakPolarHBondContact O-CB 3.48Å; M104-N108 PolarHBondContact O-N 2.97Å; M104-N108 PolarHBondContact O-ND2 3.23Å
105G93.4Very high90.5Very high0 Ų048 Ų480%024%0.239CC..Hα-helixtrans-60.2-49.3170.100000112.6C37 C59 A101 C102 N103 H107 N108 Q109C37-G105 PolarHBondContact SG-O 3.26Å; C37-G105 VanDerWaalsContact SG-O 3.4Å; C59-G105 WeakPolarHBondContact O-CA 2.95Å; A101-G105 PolarHBondContact O-N 2.69Å; C102-G105 WeakPolarHBondContact O-CA 3.46Å; C102-G105 PolarHBondContact O-N 3.01Å; N103-G105 VanDerWaalsContact C-N 3.31Å; N103-G105 PolarHBondContact O-N 3.24Å; G105-H107 VanDerWaalsContact C-N 3.29Å; G105-H107 PolarHBondContact O-N 2.78Å; G105-N108 PolarHBondContact O-N 2.84Å; G105-Q109 PolarHBondContact O-N 2.98Å
106C93.9Very high89.9Confident0 Ų051.2 Ų51.20%025%0.248CC..Hα-helixtrans-56.8-42.8174-60.10000111.9C85 E86 C102 N103C85-C106 HydrophobicContact CB-CB 3.79Å; C85-C106 WeakPolarHBondContact CB-SG 3.44Å; C85-C106 WeakPolarHBondContact SG-CB 3.35Å; C85-C106 CovalentContact SG-SG 2.04Å; C85-C106 PolarHBondContact SG-SG 3.2Å; E86-C106 HydrophobicContact CG-CB 4.4Å; C102-C106 PolarHBondContact O-N 2.84Å; N103-C106 WeakPolarHBondContact O-CB 3.48Å; N103-C106 PolarHBondContact O-N 3.45Å
107H92.8Very high89.5Confident76 Ų7649.1 Ų49.135%0.35223%0.23SC..Hα-helixtrans-67.6-43.5179.7-171.9-121.1000112.9R82 N103 M104 G105 Q109 L110 P111R82-H107 PolarHBondContact NH1-CD2 3.05Å; R82-H107 PolarHBondContact NH1-NE2 3.12Å; R82-H107 PolarHBondContact NH2-CD2 3.41Å; N103-H107 PolarHBondContact O-N 2.77Å; M104-H107 PolarHBondContact O-N 2.76Å; G105-H107 VanDerWaalsContact C-N 3.29Å; G105-H107 PolarHBondContact O-N 2.78Å; H107-Q109 VanDerWaalsContact C-N 3.27Å; H107-Q109 PolarHBondContact O-N 3.36Å; H107-L110 VanDerWaalsContact O-CB 3.31Å; H107-L110 WeakPolarHBondContact O-CB 3.43Å; H107-L110 PolarHBondContact O-N 3.4Å; H107-P111 WeakPolarHBondContact O-CD 3.3Å
108N90.9Very high89.2Confident25 Ų2550.7 Ų50.713%0.13424%0.239CC..Hα-helixtrans-68.4-25.2-178.3-76.3-17000113S40 M104 G105 F112S40-N108 PolarHBondContact OG-ND2 3.45Å; M104-N108 VanDerWaalsContact O-CB 3.3Å; M104-N108 WeakPolarHBondContact O-CB 3.48Å; M104-N108 PolarHBondContact O-N 2.97Å; M104-N108 PolarHBondContact O-ND2 3.23Å; G105-N108 PolarHBondContact O-N 2.84Å; N108-F112 WeakPolarHBondContact O-CD2 3.31Å; N108-F112 VanDerWaalsContact O-CE2 3.22Å; N108-F112 WeakPolarHBondContact O-CE2 3.44Å
109Q88.9Confident88.8Confident10 Ų1055 Ų555%0.04726%0.259CS..Hα-helixtrans-76.7-26176.6-169.564.527.800112.7F66 G105 H107 F112 A113F66-Q109 HydrophobicContact CB-CB 3.99Å; F66-Q109 HydrophobicContact CB-CG 4Å; F66-Q109 HydrophobicContact CD1-CB 3.9Å; F66-Q109 HydrophobicContact CD1-CG 3.43Å; F66-Q109 VanDerWaalsContact CD1-CG 3.43Å; F66-Q109 HydrophobicContact CE1-CG 4.21Å; F66-Q109 HydrophobicContact CG-CB 3.93Å; F66-Q109 HydrophobicContact CG-CG 3.92Å; G105-Q109 PolarHBondContact O-N 2.98Å; H107-Q109 VanDerWaalsContact C-N 3.27Å; H107-Q109 PolarHBondContact O-N 3.36Å; Q109-F112 PolarHBondContact O-N 2.94Å; Q109-A113 PolarHBondContact O-N 3.44Å; Q109-A113 VanDerWaalsContact O-N 3.11Å
110L88.8Confident88.1Confident22 Ų2258.7 Ų58.712%0.11528%0.28CS..Hα-helixtrans-51.9-55.8-176.6-172.174.5000114.6F66 L78 R82 H107 F112 A113 E114F66-L110 HydrophobicContact CE2-CD1 3.99Å; F66-L110 HydrophobicContact CZ-CD1 3.86Å; L78-L110 HydrophobicContact CB-CD1 3.7Å; R82-L110 HydrophobicContact CB-CD1 4.39Å; H107-L110 VanDerWaalsContact O-CB 3.31Å; H107-L110 WeakPolarHBondContact O-CB 3.43Å; H107-L110 PolarHBondContact O-N 3.4Å; L110-F112 PolarHBondContact O-N 3.35Å; L110-A113 WeakPolarHBondContact O-CB 3.37Å; L110-A113 PolarHBondContact O-N 3.11Å; L110-E114 PolarHBondContact O-N 3.04Å; L110-E114 VanDerWaalsContact O-N 3.09Å
111P87Confident87.5Confident68 Ų6856.2 Ų56.244%0.44227%0.273SS..Hα-helixtrans-66-24.4-178.427-36.7000113.4H107 Q115H107-P111 WeakPolarHBondContact O-CD 3.3Å; P111-Q115 WeakPolarHBondContact O-CB 3.41Å; P111-Q115 PolarHBondContact O-N 2.97Å; P111-Q115 VanDerWaalsContact O-N 3.14Å
112F83.9Confident86.8Confident68 Ų6860.3 Ų60.330%0.29831%0.307SS..Hα-helixtrans-78.1-24.5174.7-58.2-60.2000112.5S36 C37 N108 Q109 L110 R116S36-F112 WeakPolarHBondContact OG-CE1 3.46Å; S36-F112 WeakPolarHBondContact OG-CZ 3.49Å; C37-F112 HydrophobicContact CB-CD2 4.48Å; N108-F112 WeakPolarHBondContact O-CD2 3.31Å; N108-F112 VanDerWaalsContact O-CE2 3.22Å; N108-F112 WeakPolarHBondContact O-CE2 3.44Å; Q109-F112 PolarHBondContact O-N 2.94Å; L110-F112 PolarHBondContact O-N 3.35Å; F112-R116 WeakPolarHBondContact O-CB 3.11Å; F112-R116 PolarHBondContact O-N 3.28Å
113A84.6Confident85.7Confident11 Ų1168 Ų689%0.09135%0.345CS..Hα-helixtrans-75-45.7171.600000111.1F66 L78 Q109 L110 Q115 R116 Q117F66-A113 HydrophobicContact CE1-CB 3.72Å; F66-A113 HydrophobicContact CZ-CB 4.3Å; L78-A113 HydrophobicContact CD1-CB 4.28Å; L78-A113 HydrophobicContact CD2-CB 3.97Å; Q109-A113 PolarHBondContact O-N 3.44Å; Q109-A113 VanDerWaalsContact O-N 3.11Å; L110-A113 WeakPolarHBondContact O-CB 3.37Å; L110-A113 PolarHBondContact O-N 3.11Å; A113-Q115 PolarHBondContact O-N 3.43Å; A113-R116 WeakPolarHBondContact O-CA 3.34Å; A113-R116 WeakPolarHBondContact O-CB 3.03Å; A113-R116 PolarHBondContact O-N 3.01Å; A113-Q117 PolarHBondContact O-N 2.77Å
114E86.8Confident84.4Confident110 Ų11071.4 Ų71.451%0.51436%0.361SS..Hα-helixtrans-56.3-52175.4-171.5175.2-163.100111.4L78 L110 R116 Q117 D118L78-E114 HydrophobicContact CD1-CB 3.75Å; L78-E114 HydrophobicContact CD1-CG 4.41Å; L110-E114 PolarHBondContact O-N 3.04Å; L110-E114 VanDerWaalsContact O-N 3.09Å; E114-R116 PolarHBondContact O-N 3.4Å; E114-R116 VanDerWaalsContact O-N 3.15Å; E114-Q117 WeakPolarHBondContact O-CB 3.22Å; E114-Q117 PolarHBondContact O-N 3.47Å; E114-D118 PolarHBondContact O-N 2.83Å
115Q85.4Confident82.8Confident106 Ų10675.1 Ų75.150%0.49539%0.388SS..Hα-helixtrans-58.6-30.9175.8-173.6-179.112.900113.3P111 A113 Q119P111-Q115 WeakPolarHBondContact O-CB 3.41Å; P111-Q115 PolarHBondContact O-N 2.97Å; P111-Q115 VanDerWaalsContact O-N 3.14Å; A113-Q115 PolarHBondContact O-N 3.43Å; Q115-Q119 VanDerWaalsContact O-CG 3.29Å; Q115-Q119 WeakPolarHBondContact O-CG 3.46Å; Q115-Q119 PolarHBondContact O-N 2.03Å; Q115-Q119 VanDerWaalsContact O-N 3.15Å
116R79.6Confident81.1Confident134 Ų13483.9 Ų83.951%0.50642%0.421SS..Hα-helixtrans-74.4-39177.4-169.6-167.9-16689.80.4111.3F112 A113 E114 Q119 L120F112-R116 WeakPolarHBondContact O-CB 3.11Å; F112-R116 PolarHBondContact O-N 3.28Å; A113-R116 WeakPolarHBondContact O-CA 3.34Å; A113-R116 WeakPolarHBondContact O-CB 3.03Å; A113-R116 PolarHBondContact O-N 3.01Å; E114-R116 PolarHBondContact O-N 3.4Å; E114-R116 VanDerWaalsContact O-N 3.15Å; R116-Q119 PolarHBondContact O-N 3.09Å; R116-L120 WeakPolarHBondContact O-CB 3.43Å; R116-L120 PolarHBondContact O-N 2.94Å
117Q81.3Confident79.4Confident42 Ų4290.4 Ų90.420%0.19646%0.455CS..Hα-helixtrans-64.5-48.2176.6-161.8168.23.500109.8D76 A113 E114 Q119 L120 E121D76-Q117 PolarHBondContact OD1-NE2 3.43Å; A113-Q117 PolarHBondContact O-N 2.77Å; E114-Q117 WeakPolarHBondContact O-CB 3.22Å; E114-Q117 PolarHBondContact O-N 3.47Å; Q117-Q119 VanDerWaalsContact C-N 3.31Å; Q117-Q119 PolarHBondContact O-N 3.14Å; Q117-L120 WeakPolarHBondContact O-CB 3.44Å; Q117-L120 PolarHBondContact O-N 3.48Å; Q117-E121 PolarHBondContact O-N 3.08Å
118D83.6Confident77.7Confident102 Ų10293.5 Ų93.555%0.54547%0.469SS..Hα-helixtrans-53.2-44.7171.6-78.7-18.2000112.7E114 L120 E121 A122E114-D118 PolarHBondContact O-N 2.83Å; D118-L120 VanDerWaalsContact C-N 3.34Å; D118-E121 PolarHBondContact O-N 3.28Å; D118-A122 VanDerWaalsContact O-CB 3.26Å; D118-A122 WeakPolarHBondContact O-CB 3.46Å; D118-A122 PolarHBondContact O-N 3.37Å
119Q82.9Confident76.3Confident120 Ų120100 Ų10056%0.56150%0.503SS*.Hα-helixtrans-66.4-35.8177.6-78.8178.96.300112.5Q115 R116 Q117 A122 M123Q115-Q119 VanDerWaalsContact O-CG 3.29Å; Q115-Q119 WeakPolarHBondContact O-CG 3.46Å; Q115-Q119 PolarHBondContact O-N 2.03Å; Q115-Q119 VanDerWaalsContact O-N 3.15Å; R116-Q119 PolarHBondContact O-N 3.09Å; Q117-Q119 VanDerWaalsContact C-N 3.31Å; Q117-Q119 PolarHBondContact O-N 3.14Å; Q119-A122 PolarHBondContact O-N 2.84Å; Q119-M123 VanDerWaalsContact O-CB 3.29Å; Q119-M123 WeakPolarHBondContact O-CB 3.06Å; Q119-M123 PolarHBondContact O-N 3.3Å
120L78.9Confident74.9Confident128 Ų128104.3 Ų104.367%0.6753%0.526SS*.Hα-helixtrans-71.2-40.8177.4-148.571000110.9R116 Q117 D118 A122 M123 M124R116-L120 WeakPolarHBondContact O-CB 3.43Å; R116-L120 PolarHBondContact O-N 2.94Å; Q117-L120 WeakPolarHBondContact O-CB 3.44Å; Q117-L120 PolarHBondContact O-N 3.48Å; D118-L120 VanDerWaalsContact C-N 3.34Å; L120-A122 VanDerWaalsContact C-N 3.33Å; L120-A122 PolarHBondContact O-N 3.23Å; L120-M123 PolarHBondContact O-N 2.67Å; L120-M124 PolarHBondContact O-N 2.83Å
121E79Confident73.6Confident89 Ų89109.7 Ų109.742%0.41655%0.546SS..Hα-helixtrans-67.3-28.8172.7-74.4-167.4-15600113.8Q117 D118 M124Q117-E121 PolarHBondContact O-N 3.08Å; D118-E121 PolarHBondContact O-N 3.28Å; E121-M124 HydrophobicContact CB-CE 4.48Å; E121-M124 VanDerWaalsContact O-CG 3.3Å; E121-M124 WeakPolarHBondContact O-CG 3.17Å
122A79.6Confident72.6Confident87 Ų87110 Ų11072%0.71955%0.547SS*.Hα-helixtrans-77.2-29.1171.900000112.4D118 Q119 L120D118-A122 VanDerWaalsContact O-CB 3.26Å; D118-A122 WeakPolarHBondContact O-CB 3.46Å; D118-A122 PolarHBondContact O-N 3.37Å; Q119-A122 PolarHBondContact O-N 2.84Å; L120-A122 VanDerWaalsContact C-N 3.33Å; L120-A122 PolarHBondContact O-N 3.23Å
123M71.9Confident71.8Confident162 Ų162111.9 Ų111.980%0.79856%0.56SS**Hα-helixtrans-89.4-21.7-179.7-166.2167.8-171.200113.4Q119 L120Q119-M123 VanDerWaalsContact O-CB 3.29Å; Q119-M123 WeakPolarHBondContact O-CB 3.06Å; Q119-M123 PolarHBondContact O-N 3.3Å; L120-M123 PolarHBondContact O-N 2.67Å
124M67.1Low71Confident100 Ų100115.4 Ų115.449%0.49358%0.581SS.*SBendtrans-62.1127172.968.9170.5-176.100109.8L120 E121 R126L120-M124 PolarHBondContact O-N 2.83Å; E121-M124 HydrophobicContact CB-CE 4.48Å; E121-M124 VanDerWaalsContact O-CG 3.3Å; E121-M124 WeakPolarHBondContact O-CG 3.17Å; M124-R126 PolarHBondContact O-N 3.18Å
125P59.2Low70.2Confident117 Ų117114.6 Ų114.676%0.7658%0.579SS**  trans-68.7102.8177.527.5-32.7000108.2I127P125-I127 VanDerWaalsContact C-N 3.31Å; P125-I127 PolarHBondContact O-N 3.34Å
126R57.3Low69.7Low184 Ų184114 Ų11469%0.69458%0.583SS**  trans-59.499.3167.8-70.9-175.7-179175.7-0.3107.7M124 H128M124-R126 PolarHBondContact O-N 3.18Å; R126-H128 PolarHBondContact O-N 3.37Å
127I58.7Low69.4Low138 Ų138115.8 Ų115.871%0.70859%0.59SS**  trans-59.199.9179.4-17.5173.7000106.8P125 L129 Y131P125-I127 VanDerWaalsContact C-N 3.31Å; P125-I127 PolarHBondContact O-N 3.34Å; I127-L129 PolarHBondContact O-N 2.89Å; I127-Y131 HydrophobicContact CG2-CD1 4.29Å; I127-Y131 HydrophobicContact CG2-CG 4.03Å
128H57.3Low69.2Low141 Ų141115.5 Ų115.565%0.65360%0.598SS**  trans-59.6142.7178.8-98.6-91.6000108.6R126 L130 Y131R126-H128 PolarHBondContact O-N 3.37Å; H128-L130 PolarHBondContact O-N 3.36Å; H128-Y131 WeakPolarHBondContact O-CB 3.47Å; H128-Y131 PolarHBondContact O-N 3.41Å
129L59.6Low68.9Low162 Ų162118 Ų11885%0.84860%0.604SS**THydrogen-bonded Turntrans-52.8-12.3175.7-162.270.6000113.8I127 P132I127-L129 PolarHBondContact O-N 2.89Å; L129-P132 WeakPolarHBondContact O-CD 3.29Å; L129-P132 WeakPolarHBondContact O-CG 3.48Å
130L59.8Low68.5Low100 Ų100120.1 Ų120.152%0.52461%0.607SS.*THydrogen-bonded Turntrans-86.4-10.3177.7-52.8172.7000114H128 L133 T134H128-L130 PolarHBondContact O-N 3.36Å; L130-L133 HydrophobicContact CD2-CD1 3.76Å; L130-L133 CarbonylContact O-C 3.6Å; L130-L133 WeakPolarHBondContact O-CA 3.46Å; L130-L133 WeakPolarHBondContact O-CB 3.34Å; L130-L133 PolarHBondContact O-N 3.01Å; L130-T134 PolarHBondContact O-N 2.93Å
131Y63.2Low68.3Low135 Ų135118.2 Ų118.253%0.52960%0.597SS.*Hα-helixtrans-54.4-45.9175.9-171.1-104.9000113.7I127 H128 L133 T134 L135I127-Y131 HydrophobicContact CG2-CD1 4.29Å; I127-Y131 HydrophobicContact CG2-CG 4.03Å; H128-Y131 WeakPolarHBondContact O-CB 3.47Å; H128-Y131 PolarHBondContact O-N 3.41Å; Y131-L133 PolarHBondContact O-N 3.11Å; Y131-T134 WeakPolarHBondContact CA-OG1 3.29Å; Y131-T134 PolarHBondContact O-N 2.91Å; Y131-T134 VanDerWaalsContact O-N 3.1Å; Y131-T134 PolarHBondContact O-OG1 3.11Å; Y131-L135 HydrophobicContact CD1-CD1 4.28Å; Y131-L135 HydrophobicContact CE1-CD1 3.94Å; Y131-L135 PolarHBondContact O-N 3.41Å
132P65.7Low68.1Low73 Ų73119.3 Ų119.347%0.47461%0.606SS.*Hα-helixtrans-59.7-32.7170.621.9-34.2000113.3L129 L135 V136L129-P132 WeakPolarHBondContact O-CD 3.29Å; L129-P132 WeakPolarHBondContact O-CG 3.48Å; P132-L135 PolarHBondContact O-N 3.13Å; P132-V136 WeakPolarHBondContact O-CG2 3.5Å; P132-V136 PolarHBondContact O-N 3.48Å
133L66.1Low67.9Low109 Ų109119.3 Ų119.357%0.57160%0.597SS**Hα-helixtrans-70.8-30.7175.4-60.9176.4000112.4L130 Y131 R137L130-L133 HydrophobicContact CD2-CD1 3.76Å; L130-L133 CarbonylContact O-C 3.6Å; L130-L133 WeakPolarHBondContact O-CA 3.46Å; L130-L133 WeakPolarHBondContact O-CB 3.34Å; L130-L133 PolarHBondContact O-N 3.01Å; Y131-L133 PolarHBondContact O-N 3.11Å; L133-R137 VanDerWaalsContact O-CB 3.29Å; L133-R137 WeakPolarHBondContact O-CB 3.3Å; L133-R137 PolarHBondContact O-N 3.09Å
134T68.1Low68.1Low85 Ų85115.3 Ų115.352%0.52158%0.577SS.*Hα-helixtrans-69.1-35.2172.452.80000112.6L130 Y131 G138L130-T134 PolarHBondContact O-N 2.93Å; Y131-T134 WeakPolarHBondContact CA-OG1 3.29Å; Y131-T134 PolarHBondContact O-N 2.91Å; Y131-T134 VanDerWaalsContact O-N 3.1Å; Y131-T134 PolarHBondContact O-OG1 3.11Å; T134-G138 PolarHBondContact O-N 3.06Å; T134-G138 VanDerWaalsContact O-N 3.15Å
135L69.4Low68.3Low93 Ų93113.9 Ų113.949%0.48758%0.577SS.*Hα-helixtrans-67.5-47.7172.4-69.8170.1000111.7Y131 P132 R137 G138 F139Y131-L135 HydrophobicContact CD1-CD1 4.28Å; Y131-L135 HydrophobicContact CE1-CD1 3.94Å; Y131-L135 PolarHBondContact O-N 3.41Å; P132-L135 PolarHBondContact O-N 3.13Å; L135-R137 PolarHBondContact O-N 3.37Å; L135-G138 PolarHBondContact O-N 3Å; L135-F139 WeakPolarHBondContact O-CD2 3.42Å; L135-F139 PolarHBondContact O-N 2.94Å; L135-F139 VanDerWaalsContact O-N 3.11Å
136V74.6Confident68.5Low93 Ų93114.3 Ų114.356%0.56457%0.569SS**Hα-helixtrans-59.8-36.5176.3170.70000111.5P132 W140P132-V136 WeakPolarHBondContact O-CG2 3.5Å; P132-V136 PolarHBondContact O-N 3.48Å; V136-W140 WeakPolarHBondContact O-CB 3.39Å; V136-W140 PolarHBondContact O-N 3.11Å
137R74.9Confident68.6Low172 Ų172107.1 Ų107.165%0.64955%0.549SS*.Hα-helixtrans-64.2-45.5175.5-170.2175.6-170.4127.24.4112.4L133 L135 F139 W140 D141L133-R137 VanDerWaalsContact O-CB 3.29Å; L133-R137 WeakPolarHBondContact O-CB 3.3Å; L133-R137 PolarHBondContact O-N 3.09Å; L135-R137 PolarHBondContact O-N 3.37Å; R137-F139 PolarHBondContact O-N 3.05Å; R137-W140 PolarHBondContact O-N 3.24Å; R137-W140 VanDerWaalsContact O-N 3.16Å; R137-D141 PolarHBondContact O-N 3.18Å
138G76.4Confident68.7Low36 Ų36106 Ų10637%0.37154%0.541SS..Hα-helixtrans-58.1-47.6175.500000112.5T134 L135 W140 D141 D142T134-G138 PolarHBondContact O-N 3.06Å; T134-G138 VanDerWaalsContact O-N 3.15Å; L135-G138 PolarHBondContact O-N 3Å; G138-W140 VanDerWaalsContact C-N 3.31Å; G138-W140 PolarHBondContact O-N 3.5Å; G138-D141 PolarHBondContact O-N 2.86Å; G138-D142 PolarHBondContact O-N 2.97Å; G138-D142 VanDerWaalsContact O-N 3.1Å
139F76.9Confident68.7Low153 Ų153103 Ų10367%0.67154%0.535SS*.Hα-helixtrans-61.1-37.4174.5-87.3-77.3000113.2L135 R137 V143L135-F139 WeakPolarHBondContact O-CD2 3.42Å; L135-F139 PolarHBondContact O-N 2.94Å; L135-F139 VanDerWaalsContact O-N 3.11Å; R137-F139 PolarHBondContact O-N 3.05Å; F139-V143 WeakPolarHBondContact O-CB 3.37Å; F139-V143 VanDerWaalsContact O-CG2 3.28Å; F139-V143 WeakPolarHBondContact O-CG2 3.27Å; F139-V143 PolarHBondContact O-N 3.4Å; F139-V143 VanDerWaalsContact O-N 3.1Å
140W74.8Confident68.5Low166 Ų166102.1 Ų102.163%0.62953%0.525SS*.Hα-helixtrans-70.2-41.2178.7-171.2-90.5000112.5V136 R137 G138 V143 M144V136-W140 WeakPolarHBondContact O-CB 3.39Å; V136-W140 PolarHBondContact O-N 3.11Å; R137-W140 PolarHBondContact O-N 3.24Å; R137-W140 VanDerWaalsContact O-N 3.16Å; G138-W140 VanDerWaalsContact C-N 3.31Å; G138-W140 PolarHBondContact O-N 3.5Å; W140-V143 PolarHBondContact O-N 3.18Å; W140-M144 HydrophobicContact CZ2-CE 4.06Å; W140-M144 VanDerWaalsContact O-CB 3.24Å; W140-M144 WeakPolarHBondContact O-CB 3.44Å; W140-M144 PolarHBondContact O-N 2.86Å
141D74.1Confident68.1Low87 Ų87103.3 Ų103.347%0.46553%0.53SS..Hα-helixtrans-65.5-40.1178.7-68.7-24.5000110.8R137 G138 M144 S145R137-D141 PolarHBondContact O-N 3.18Å; G138-D141 PolarHBondContact O-N 2.86Å; D141-M144 PolarHBondContact O-N 3.22Å; D141-S145 WeakPolarHBondContact O-CB 3.26Å; D141-S145 PolarHBondContact O-N 2.99Å
142D75.3Confident67.6Low112 Ų112100.7 Ų100.760%0.59953%0.528SS*.Hα-helixtrans-62.8-48.7172.9-83.8-12.6000112.3G138 M144 S145 Q146G138-D142 PolarHBondContact O-N 2.97Å; G138-D142 VanDerWaalsContact O-N 3.1Å; D142-M144 VanDerWaalsContact C-N 3.34Å; D142-M144 PolarHBondContact O-N 2.79Å; D142-S145 PolarHBondContact O-N 3.39Å; D142-S145 PolarHBondContact O-OG 3.03Å; D142-Q146 PolarHBondContact O-N 2.99Å; D142-Q146 VanDerWaalsContact O-N 3.08Å
143V76.1Confident67Low88 Ų88101.2 Ų101.253%0.53353%0.534SS..Hα-helixtrans-63.4-39.5178.2169.40000111.6F139 W140 Q146 A147F139-V143 WeakPolarHBondContact O-CB 3.37Å; F139-V143 VanDerWaalsContact O-CG2 3.28Å; F139-V143 WeakPolarHBondContact O-CG2 3.27Å; F139-V143 PolarHBondContact O-N 3.4Å; F139-V143 VanDerWaalsContact O-N 3.1Å; W140-V143 PolarHBondContact O-N 3.18Å; V143-Q146 PolarHBondContact O-N 3.48Å; V143-A147 WeakPolarHBondContact O-CB 3.38Å; V143-A147 PolarHBondContact O-N 2.93Å
144M76.5Confident66.8Low77 Ų7799.1 Ų99.138%0.37953%0.528SS..Hα-helixtrans-64.3-42.2175.7-171.664.368.900111.2W140 D141 D142 Q146 A147 H148W140-M144 HydrophobicContact CZ2-CE 4.06Å; W140-M144 VanDerWaalsContact O-CB 3.24Å; W140-M144 WeakPolarHBondContact O-CB 3.44Å; W140-M144 PolarHBondContact O-N 2.86Å; D141-M144 PolarHBondContact O-N 3.22Å; D142-M144 VanDerWaalsContact C-N 3.34Å; D142-M144 PolarHBondContact O-N 2.79Å; M144-Q146 VanDerWaalsContact C-N 3.32Å; M144-Q146 PolarHBondContact O-N 3.36Å; M144-A147 PolarHBondContact O-N 3.47Å; M144-A147 VanDerWaalsContact O-N 3.17Å; M144-H148 PolarHBondContact O-CD2 3.49Å; M144-H148 PolarHBondContact O-N 3.3Å
145S69.8Low66.4Low70 Ų70104.9 Ų104.949%0.4954%0.541SS..Hα-helixtrans-60.7-40.4176.682.90000112.1D141 D142D141-S145 WeakPolarHBondContact O-CB 3.26Å; D141-S145 PolarHBondContact O-N 2.99Å; D142-S145 PolarHBondContact O-N 3.39Å; D142-S145 PolarHBondContact O-OG 3.03Å
146Q63.3Low66.4Low127 Ų127103.5 Ų103.559%0.59354%0.536SS*.Hα-helixtrans-66-43.4172.6-98.6-177.55.600112D142 V143 M144 H148 S149 F150D142-Q146 PolarHBondContact O-N 2.99Å; D142-Q146 VanDerWaalsContact O-N 3.08Å; V143-Q146 PolarHBondContact O-N 3.48Å; M144-Q146 VanDerWaalsContact C-N 3.32Å; M144-Q146 PolarHBondContact O-N 3.36Å; Q146-H148 VanDerWaalsContact C-N 3.31Å; Q146-H148 PolarHBondContact O-N 3.15Å; Q146-S149 WeakPolarHBondContact O-CB 3.45Å; Q146-S149 PolarHBondContact O-N 2.96Å; Q146-S149 PolarHBondContact O-OG 3.15Å; Q146-F150 HydrophobicContact CB-CE2 4.48Å; Q146-F150 WeakPolarHBondContact O-CD2 3.39Å; Q146-F150 PolarHBondContact O-N 3.14Å
147A60.4Low66.2Low33 Ų33104.1 Ų104.127%0.27353%0.531SS..Hα-helixtrans-58.8-39.8179.500000112.6V143 M144 S149 F150 I151V143-A147 WeakPolarHBondContact O-CB 3.38Å; V143-A147 PolarHBondContact O-N 2.93Å; M144-A147 PolarHBondContact O-N 3.47Å; M144-A147 VanDerWaalsContact O-N 3.17Å; A147-S149 PolarHBondContact O-N 3.06Å; A147-F150 PolarHBondContact O-N 3.46Å; A147-F150 VanDerWaalsContact O-N 3.14Å; A147-I151 WeakPolarHBondContact O-CD1 3.28Å; A147-I151 VanDerWaalsContact O-CG1 3.3Å; A147-I151 WeakPolarHBondContact O-CG1 3.41Å; A147-I151 PolarHBondContact O-N 2.86Å
148H59.3Low66.2Low115 Ų115103.1 Ų103.153%0.53253%0.529SS..Hα-helixtrans-59.3-32.8174.8-78.1-67000113.4M144 Q146 T152M144-H148 PolarHBondContact O-CD2 3.49Å; M144-H148 PolarHBondContact O-N 3.3Å; Q146-H148 VanDerWaalsContact C-N 3.31Å; Q146-H148 PolarHBondContact O-N 3.15Å; H148-T152 PolarHBondContact O-OG1 3.06Å; H148-T152 VanDerWaalsContact O-OG1 3.04Å
149S59.1Low65.8Low76 Ų76105.8 Ų105.853%0.53153%0.534SS..Hα-helixtrans-69.5-34.7176.278.40000112.8Q146 A147Q146-S149 WeakPolarHBondContact O-CB 3.45Å; Q146-S149 PolarHBondContact O-N 2.96Å; Q146-S149 PolarHBondContact O-OG 3.15Å; A147-S149 PolarHBondContact O-N 3.06Å
150F54.9Low65.1Low145 Ų145105.3 Ų105.364%0.63653%0.534SS*.Hα-helixtrans-77.7-35.8178-67.3-69.3000112.9Q146 A147 T152 S153Q146-F150 HydrophobicContact CB-CE2 4.48Å; Q146-F150 WeakPolarHBondContact O-CD2 3.39Å; Q146-F150 PolarHBondContact O-N 3.14Å; A147-F150 PolarHBondContact O-N 3.46Å; A147-F150 VanDerWaalsContact O-N 3.14Å; F150-T152 PolarHBondContact O-N 3.23Å; F150-S153 WeakPolarHBondContact O-CB 3.28Å; F150-S153 PolarHBondContact O-N 2.78Å; F150-S153 PolarHBondContact O-OG 2.93Å
151I52Low64.8Low125 Ų12599.8 Ų99.864%0.64152%0.524SS*.Hα-helixtrans-68.3-19.2-178.2-67.9164.5000112.3A147A147-I151 WeakPolarHBondContact O-CD1 3.28Å; A147-I151 VanDerWaalsContact O-CG1 3.3Å; A147-I151 WeakPolarHBondContact O-CG1 3.41Å; A147-I151 PolarHBondContact O-N 2.86Å
152T52.7Low64.3Low79 Ų79104.3 Ų104.349%0.48555%0.548SS..THydrogen-bonded Turntrans-10324.4179.6-33.80000112.8H148 F150 S154H148-T152 PolarHBondContact O-OG1 3.06Å; H148-T152 VanDerWaalsContact O-OG1 3.04Å; F150-T152 PolarHBondContact O-N 3.23Å; T152-S154 PolarHBondContact O-N 3.4Å
153S53.2Low64.1Low85 Ų85103.7 Ų103.759%0.59454%0.544SS*.  trans-76.490.3-178.848.80000112.7F150 W155F150-S153 WeakPolarHBondContact O-CB 3.28Å; F150-S153 PolarHBondContact O-N 2.78Å; F150-S153 PolarHBondContact O-OG 2.93Å; S153-W155 VanDerWaalsContact C-N 3.3Å; S153-W155 PolarHBondContact O-N 3.34Å
154S60.4Low63.8Low64 Ų64102 Ų10245%0.44855%0.545SS..  trans-72.983.3168.559.10000110.6T152T152-S154 PolarHBondContact O-N 3.4Å
155W61.2Low63.1Low207 Ų207104.8 Ų104.878%0.78456%0.555SS**  trans-57.9133.2168.261.5-27.1000111.9S153 S171S153-W155 VanDerWaalsContact C-N 3.3Å; S153-W155 PolarHBondContact O-N 3.34Å; W155-S171 PolarHBondContact NE1-OG 2.81Å
156T69.1Low63.2Low63 Ų63105.1 Ų105.139%0.38755%0.554SS.*EExtended strand (participates in β ladder)trans-122.7139170.452.20000108.4F169 Q170T156-F169 WeakPolarHBondContact CA-O 3.35Å; T156-Q170 HydrophobicContact CG2-CB 3.96Å; T156-Q170 HydrophobicContact CG2-CG 3.9Å
157F70.8Confident63.5Low106 Ų106102.5 Ų102.547%0.46555%0.546SS..EExtended strand (participates in β ladder)trans-131141174.189.5-77.6000111.9L159 F169F157-L159 HydrophobicContact CD2-CD2 4.17Å; F157-L159 HydrophobicContact CD2-CG 3.89Å; F157-L159 HydrophobicContact CE2-CD1 3.59Å; F157-L159 HydrophobicContact CE2-CD2 3.88Å; F157-L159 HydrophobicContact CE2-CG 3.41Å; F157-L159 VanDerWaalsContact CE2-CG 3.41Å; F157-L159 HydrophobicContact CZ-CD1 4.14Å; F157-L159 HydrophobicContact CZ-CG 4.33Å; F157-F169 HydrophobicContact CD1-CB 3.54Å; F157-F169 HydrophobicContact CD1-CD2 4.13Å; F157-F169 HydrophobicContact CD1-CG 4.15Å; F157-F169 HydrophobicContact CE1-CB 3.32Å; F157-F169 HydrophobicContact CE1-CD1 4.38Å; F157-F169 AromaticContact CE1-CD2 3.46Å; F157-F169 HydrophobicContact CE1-CD2 3.46Å; F157-F169 VanDerWaalsContact CE1-CD2 3.46Å; F157-F169 HydrophobicContact CE1-CE2 4.35Å; F157-F169 AromaticContact CE1-CG 3.48Å; F157-F169 HydrophobicContact CE1-CG 3.48Å; F157-F169 VanDerWaalsContact CE1-CG 3.48Å; F157-F169 HydrophobicContact CE2-CD2 4.19Å; F157-F169 HydrophobicContact CZ-CB 4.26Å; F157-F169 AromaticContact CZ-CD2 3.49Å; F157-F169 HydrophobicContact CZ-CD2 3.49Å; F157-F169 VanDerWaalsContact CZ-CD2 3.49Å; F157-F169 AromaticContact CZ-CE2 3.98Å; F157-F169 HydrophobicContact CZ-CE2 3.98Å; F157-F169 AromaticContact CZ-CG 3.96Å; F157-F169 HydrophobicContact CZ-CG 3.96Å; F157-F169 PolarHBondContact N-O 3.27Å; F157-F169 VanDerWaalsContact N-O 3.09Å; F157-F169 PolarHBondContact O-N 3.46Å; F157-F169 VanDerWaalsContact O-N 3.08Å
158Y73.1Confident64Low152 Ų152105.7 Ų105.760%0.59656%0.558SS**EExtended strand (participates in β ladder)trans-107115.2-177-58.3-89.4000108.1V166 I168Y158-V166 HydrophobicContact CD1-CG1 4.17Å; Y158-I168 HydrophobicContact CD1-CD1 4.39Å; Y158-I168 HydrophobicContact CD1-CG1 3.89Å; Y158-I168 HydrophobicContact CD1-CG2 4.32Å; Y158-I168 HydrophobicContact CE1-CD1 4.01Å; Y158-I168 HydrophobicContact CE1-CG1 3.95Å; Y158-I168 HydrophobicContact CE1-CG2 4Å
159L68.9Low64.3Low91 Ų91105.1 Ų105.148%0.47655%0.554SS.*EExtended strand (participates in β ladder)trans-102.1120.4165.3-71.3-179.6000108.9F157 V166 V167 F169F157-L159 HydrophobicContact CD2-CD2 4.17Å; F157-L159 HydrophobicContact CD2-CG 3.89Å; F157-L159 HydrophobicContact CE2-CD1 3.59Å; F157-L159 HydrophobicContact CE2-CD2 3.88Å; F157-L159 HydrophobicContact CE2-CG 3.41Å; F157-L159 VanDerWaalsContact CE2-CG 3.41Å; F157-L159 HydrophobicContact CZ-CD1 4.14Å; F157-L159 HydrophobicContact CZ-CG 4.33Å; L159-V166 CarbonylContact O-C 3.57Å; L159-V166 WeakPolarHBondContact O-CA 3.46Å; L159-V167 PolarHBondContact N-O 2.85Å; L159-V167 PolarHBondContact O-N 3.45Å; L159-F169 HydrophobicContact CD1-CE2 4.27Å
160Q63.1Low64.7Low143 Ų143108.2 Ų108.267%0.66856%0.56SS**EExtended strand (participates in β ladder)trans-92112.5162.3-168.7165.328.100107.2V166Q160-V166 HydrophobicContact CB-CG2 4.25Å; Q160-V166 HydrophobicContact CG-CG2 4.09Å
161A66.8Low65.2Low51 Ų51103.5 Ų103.542%0.42155%0.545SS..  trans-79.4160.7172.100000110.1D163 G164 K165A161-D163 PolarHBondContact O-N 2.9Å; A161-G164 PolarHBondContact O-N 2.82Å; A161-K165 PolarHBondContact N-O 2.83Å; A161-K165 VanDerWaalsContact N-O 3.12Å
162D65.3Low65.4Low182 Ų182105.1 Ų105.197%0.97355%0.55SS**THydrogen-bonded Turntrans-61.8-10-176.6-62.2-42.2000114.1G164D162-G164 VanDerWaalsContact C-N 3.29Å
163D69.6Low65.4Low98 Ų98104.8 Ų104.852%0.52455%0.549SS..THydrogen-bonded Turntrans-86.66.9173.380.8-28.2000113.8A161 K165A161-D163 PolarHBondContact O-N 2.9Å; D163-K165 PolarHBondContact O-N 3.46Å; D163-K165 WeakPolarHBondContact OD1-CB 3.46Å; D163-K165 PolarHBondContact OD1-N 2.88Å; D163-K165 IonicContact OD2-NZ 3.89Å; D163-K165 PolarHBondContact OD2-NZ 3.23Å
164G69.7Low64.8Low53 Ų53108.4 Ų108.455%0.54656%0.556SS.*SBendtrans77.91.3177.200000114.6A161 D162A161-G164 PolarHBondContact O-N 2.82Å; D162-G164 VanDerWaalsContact C-N 3.29Å
165K62.4Low64.3Low136 Ų136110.8 Ų110.859%0.59156%0.563SS**PPolyproline II helixtrans-85.8134.2175.2-58.9-166.6-167.995.60110.6A161 D163A161-K165 PolarHBondContact N-O 2.83Å; A161-K165 VanDerWaalsContact N-O 3.12Å; D163-K165 PolarHBondContact O-N 3.46Å; D163-K165 WeakPolarHBondContact OD1-CB 3.46Å; D163-K165 PolarHBondContact OD1-N 2.88Å; D163-K165 IonicContact OD2-NZ 3.89Å; D163-K165 PolarHBondContact OD2-NZ 3.23Å
166V72.4Confident63.2Low77 Ų77110.3 Ų110.347%0.46756%0.561SS.*EExtended strand (participates in β ladder)trans-96.9120.4173.9-177.70000108.9Y158 L159 Q160 I168Y158-V166 HydrophobicContact CD1-CG1 4.17Å; L159-V166 CarbonylContact O-C 3.57Å; L159-V166 WeakPolarHBondContact O-CA 3.46Å; Q160-V166 HydrophobicContact CB-CG2 4.25Å; Q160-V166 HydrophobicContact CG-CG2 4.09Å; V166-I168 HydrophobicContact CG1-CG1 4.44Å
167V68.2Low62Low72 Ų72113.3 Ų113.344%0.43657%0.573SS.*EExtended strand (participates in β ladder)trans-99.5125.6171.3-173.60000108.3L159 F169L159-V167 PolarHBondContact N-O 2.85Å; L159-V167 PolarHBondContact O-N 3.45Å; V167-F169 HydrophobicContact CB-CE2 4.05Å; V167-F169 HydrophobicContact CG1-CD2 4.06Å; V167-F169 HydrophobicContact CG1-CE1 4.41Å; V167-F169 HydrophobicContact CG1-CE2 3.47Å; V167-F169 VanDerWaalsContact CG1-CE2 3.47Å; V167-F169 HydrophobicContact CG1-CZ 3.68Å
168I72.9Confident60.4Low100 Ų100117.3 Ų117.351%0.51359%0.591SS.*EExtended strand (participates in β ladder)trans-102.3119.9179-49.5177.4000107.6Y158 V166Y158-I168 HydrophobicContact CD1-CD1 4.39Å; Y158-I168 HydrophobicContact CD1-CG1 3.89Å; Y158-I168 HydrophobicContact CD1-CG2 4.32Å; Y158-I168 HydrophobicContact CE1-CD1 4.01Å; Y158-I168 HydrophobicContact CE1-CG1 3.95Å; Y158-I168 HydrophobicContact CE1-CG2 4Å; V166-I168 HydrophobicContact CG1-CG1 4.44Å
169F64.4Low58.6Low102 Ų102114.9 Ų114.945%0.44760%0.596SS.*EExtended strand (participates in β ladder)trans-104.7121.7170.3-64.8-90.7000108.7T156 F157 L159 V167T156-F169 WeakPolarHBondContact CA-O 3.35Å; F157-F169 HydrophobicContact CD1-CB 3.54Å; F157-F169 HydrophobicContact CD1-CD2 4.13Å; F157-F169 HydrophobicContact CD1-CG 4.15Å; F157-F169 HydrophobicContact CE1-CB 3.32Å; F157-F169 HydrophobicContact CE1-CD1 4.38Å; F157-F169 AromaticContact CE1-CD2 3.46Å; F157-F169 HydrophobicContact CE1-CD2 3.46Å; F157-F169 VanDerWaalsContact CE1-CD2 3.46Å; F157-F169 HydrophobicContact CE1-CE2 4.35Å; F157-F169 AromaticContact CE1-CG 3.48Å; F157-F169 HydrophobicContact CE1-CG 3.48Å; F157-F169 VanDerWaalsContact CE1-CG 3.48Å; F157-F169 HydrophobicContact CE2-CD2 4.19Å; F157-F169 HydrophobicContact CZ-CB 4.26Å; F157-F169 AromaticContact CZ-CD2 3.49Å; F157-F169 HydrophobicContact CZ-CD2 3.49Å; F157-F169 VanDerWaalsContact CZ-CD2 3.49Å; F157-F169 AromaticContact CZ-CE2 3.98Å; F157-F169 HydrophobicContact CZ-CE2 3.98Å; F157-F169 AromaticContact CZ-CG 3.96Å; F157-F169 HydrophobicContact CZ-CG 3.96Å; F157-F169 PolarHBondContact N-O 3.27Å; F157-F169 VanDerWaalsContact N-O 3.09Å; F157-F169 PolarHBondContact O-N 3.46Å; F157-F169 VanDerWaalsContact O-N 3.08Å; L159-F169 HydrophobicContact CD1-CE2 4.27Å; V167-F169 HydrophobicContact CB-CE2 4.05Å; V167-F169 HydrophobicContact CG1-CD2 4.06Å; V167-F169 HydrophobicContact CG1-CE1 4.41Å; V167-F169 HydrophobicContact CG1-CE2 3.47Å; V167-F169 VanDerWaalsContact CG1-CE2 3.47Å; V167-F169 HydrophobicContact CG1-CZ 3.68Å
170Q66.9Low57Low141 Ų141118.7 Ų118.766%0.65961%0.612SS**EExtended strand (participates in β ladder)trans-121.5124.4178.6176.6175.32.500108.6T156T156-Q170 HydrophobicContact CG2-CB 3.96Å; T156-Q170 HydrophobicContact CG2-CG 3.9Å
171S66.8Low56Low46 Ų46119.6 Ų119.632%0.32262%0.619SS.*  trans-90127.9169.870.50000110.4W155W155-S171 PolarHBondContact NE1-OG 2.81Å
172E54.6Low54.3Low160 Ų160126.6 Ų126.675%0.74864%0.643SS**  trans-79.9133.6169-64.4-176.8156.100110.6Q174E172-Q174 PolarHBondContact O-N 3.31Å; E172-Q174 VanDerWaalsContact O-N 3.11Å
173P53.1Low53.3Low71 Ų71125 Ų12546%0.46163%0.634SS.*  trans-74.1102.4176.329.7-33000110.4I175P173-I175 WeakPolarHBondContact O-CG1 3.34Å; P173-I175 PolarHBondContact O-N 3.38Å
174Q41.3Very low51.3Low161 Ų161125.3 Ų125.375%0.75264%0.635SS**  trans-76.173.3170.7-69.2-164.115.300111.5E172 R176E172-Q174 PolarHBondContact O-N 3.31Å; E172-Q174 VanDerWaalsContact O-N 3.11Å; Q174-R176 VanDerWaalsContact C-N 3.33Å; Q174-R176 PolarHBondContact O-N 3.32Å
175I50.3Low49.4Very low114 Ų114130.6 Ų130.659%0.58564%0.644SS**  trans-68.789.7166.717.1170.1000109.6P173 I177P173-I175 WeakPolarHBondContact O-CG1 3.34Å; P173-I175 PolarHBondContact O-N 3.38Å; I175-I177 HydrophobicContact CB-CG1 4.15Å; I175-I177 PolarHBondContact O-N 2.84Å
176R38.5Very low47.7Very low198 Ų198130.8 Ų130.875%0.74765%0.651SS**  trans-73.978.6160.3-69.2-167.9-173.5-157.62108.9Q174 F178Q174-R176 VanDerWaalsContact C-N 3.33Å; Q174-R176 PolarHBondContact O-N 3.32Å; R176-F178 PolarHBondContact O-N 2.92Å; R176-F178 VanDerWaalsContact O-N 3.14Å
177I42Very low45.4Very low125 Ų125130.8 Ų130.864%0.64165%0.654SS**  trans-65.5110.6166.9-53.1176.5000106.2I175 S179I175-I177 HydrophobicContact CB-CG1 4.15Å; I175-I177 PolarHBondContact O-N 2.84Å; I177-S179 PolarHBondContact O-N 2.9Å
178F37.8Very low43.5Very low191 Ų191136 Ų13684%0.83867%0.671SS**  trans-75.271.8166.1-68.9-81.1000108.3R176R176-F178 PolarHBondContact O-N 2.92Å; R176-F178 VanDerWaalsContact O-N 3.14Å
179S34.9Very low41.3Very low100 Ų100140.9 Ų140.970%0.69969%0.692SS**  trans-63.3137.2170.948.30000109.2I177I177-S179 PolarHBondContact O-N 2.9Å
180Q35.1Very low39.4Very low172 Ų172144.5 Ų144.580%0.80471%0.71SS**  trans-59.6142.3-173.6-66.5161.1-43.900112E182Q180-E182 PolarHBondContact O-N 3.33Å
181I43.8Very low37.9Very low162 Ų162142.2 Ų142.283%0.83171%0.708SS**  trans40.481.2135.6-48.6167.7000114
182E29.4Very low36Very low197 Ų197147 Ų14792%0.92173%0.725SS**  trans-104.798.2166.2-151.4160.9-146.300110.1Q180Q180-E182 PolarHBondContact O-N 3.33Å
183L44.5Very low34.6Very low149 Ų149147.5 Ų147.578%0.7872%0.724SS**  trans-67.8134.7161.7172.675.1000108.6
184D28.7Very low33.3Very low104 Ų104149.4 Ų149.456%0.55674%0.739SS**  152.7144.8121.8-160.216.8000114.5
185K29.1Very low32.7Very low165 Ų165149.1 Ų149.172%0.71774%0.742SS**  trans56.2153.1155.9-86.6157.7-151.7148.40121.2
186D26.6Very low31.9Very low139 Ų139149.3 Ų149.374%0.74375%0.751SS**  cis-160.2176.3-16.2-146.613.7000106.3
187S25.5Very low31.4Very low77 Ų77150.5 Ų150.554%0.53876%0.756SS.*  cis-1561621.292.10000111.5
188K26.7Very low30.7Very low183 Ų183151.7 Ų151.780%0.79676%0.762SS**  trans37.1116.5145.6-58.3169.1-177.6171.10119.9
189E27.3Very low30.2Very low201 Ų201146.8 Ų146.894%0.93975%0.751SS**  -163.6148.5100.8-105178.6-169.100111.5
190E25.2Very low29.9Very low179 Ų179149 Ų14984%0.83676%0.756SS**  trans-133.1166.9177.8-121.7-149.9126.200106.6
191P35.8Very low29.8Very low93 Ų93146.1 Ų146.160%0.60475%0.752SS**  cis-145.8-173.418.732.8-7.5000117
192Q25.7Very low29.2Very low146 Ų146145.8 Ų145.868%0.68275%0.75SS**  trans74.7120.1160.3-50.7-168.28.200117.3
193K25.1Very low29.1Very low170 Ų170147 Ų14774%0.73975%0.748SS**  cis-172.8155.944.4-115142.6-178.5153.20111.9
194S26.9Very low28.4Very low111 Ų111149.6 Ų149.678%0.77675%0.753SS**  trans55.7107156.254.70000121.1
195L27Very low28.4Very low156 Ų156151.5 Ų151.582%0.81776%0.758SS**  trans-58.7155.9139.4-129.192.1000109.3
196P34.6Very low28.4Very low118 Ų118154.4 Ų154.477%0.76677%0.766SS**  -141.8138.554.833.3-12000118.3
197R26.9Very low28.6Very low223 Ų223153.8 Ų153.884%0.84276%0.759SS**  30.7105129.9-170.6-166.9-138.4169.76.3118.8
198L28.6Very low28.9Very low150 Ų150159.2 Ų159.279%0.78577%0.768SS**  -175.2144.3116.5-145.365.4000114.3
199S27.4Very low29Very low87 Ų87155.1 Ų155.161%0.60876%0.758SS**  trans47.6115.214958.10000123.4
200N28.6Very low29.2Very low147 Ų147153.1 Ų153.179%0.78675%0.753SS**  trans57.6119.3134-57.21000122.2
201P31.7Very low29.9Very low112 Ų112152.8 Ų152.873%0.72776%0.755SS**  trans-80.8119.4144.132.6-27.1000109.1
202I31Very low29.7Very low154 Ų154155.5 Ų155.579%0.7976%0.76SS**  53.983.181.7-53.8177.2000111.8
203Y27.6Very low30Very low224 Ų224154.1 Ų154.188%0.87875%0.753SS**  trans-71.6137.1159.6-81.6-100.4000109.4E205Y203-E205 PolarHBondContact O-N 2.9Å
204K30Very low30.3Very low203 Ų203155.4 Ų155.488%0.88375%0.753SS**  trans-83.7107.6168.6-90.4-173.4174.3178.90110.1
205E28.2Very low30.3Very low144 Ų144156.1 Ų156.167%0.67375%0.749SS**  trans-53.7131.9165.2-172.473.5-16000111.3Y203 H207Y203-E205 PolarHBondContact O-N 2.9Å; E205-H207 IonicContact OE1-ND1 3.74Å
206Y30.4Very low30.5Very low226 Ų226159.8 Ų159.889%0.88675%0.751SS**  trans-12895.5151.2-105.7-79.9000109.1
207H30.5Very low30.2Very low126 Ų126163.1 Ų163.158%0.58376%0.757SS**  trans-36.1155.4154.5-96.5-27.6000112.9E205E205-H207 IonicContact OE1-ND1 3.74Å
208R32Very low30.6Very low191 Ų191160.2 Ų160.272%0.72176%0.757SS**  cis-166.313927.7-139.5-161.2172.798.3-0.2113.6
209T27.9Very low30.7Very low97 Ų97158.6 Ų158.660%0.59576%0.758SS**  trans61.2150.6135.4490000125.1
210L33Very low30.8Very low158 Ų158158 Ų15883%0.82777%0.766SS**  trans75.6117168-57.8122.8000113.1
211I39.6Very low31Very low172 Ų172159.4 Ų159.488%0.88277%0.768SS**  cis-123.7139.234.8-71.4161.2000113.3
212Q30.5Very low31.1Very low151 Ų151165 Ų16571%0.70677%0.774SS**  trans-89.7138.2168.4160-162-45.300109
213E32.4Very low31.1Very low116 Ų116163.4 Ų163.454%0.54278%0.776SS.*  176121.7125.7-14564.8-137.300111
214R32Very low31.5Very low198 Ų198163.2 Ų163.275%0.74778%0.776SS**  trans52.1151139.6-79.7-170.5159.294.7-3.2123.4
215D26.4Very low31.9Very low126 Ų126160.8 Ų160.867%0.67477%0.772SS**  cis-160.6173.2-9.6-142.5-41000108.9
216R31.8Very low32.6Very low232 Ų232159.6 Ų159.688%0.87577%0.771SS**  trans79.1108.5169.8-75.1-168149.4101.82.2120.8
217E28.5Very low33.2Very low188 Ų188150.2 Ų150.288%0.87974%0.743SS**  trans-46.5141.6145.7-49.9162.1137.400112.9
218L33.8Very low34.3Very low163 Ų163154.9 Ų154.985%0.85376%0.757SS**  -172.9136.4108.5-168.662.4000111.6
219S32Very low35.5Very low116 Ų116149.7 Ų149.781%0.81174%0.744SS**  trans-35.6144.3178.1-43.40000118.8
220G29.6Very low36.9Very low74 Ų74151.6 Ų151.676%0.76375%0.749SS**  trans170.3104.8160.200000115.8
221E32.8Very low37.9Very low177 Ų177148.3 Ų148.383%0.82773%0.728SS**  trans0.6121.8159.8-120.180.7163.100119.3
222R32.3Very low38.7Very low230 Ų230143.9 Ų143.987%0.86871%0.713SS**  -166.2137.6125.5-108.4171.3-16798-2.4113
223S32Very low39.9Very low119 Ų119141.5 Ų141.583%0.83271%0.712SS**  trans-64.1127.1177.3-169.40000111.5
224Y36.4Very low40.9Very low221 Ų221141 Ų14187%0.86771%0.713SS**  trans-95.7106.5164.6-89.3-94000109.2
225D38.2Very low42Very low151 Ų151133.8 Ų133.881%0.80769%0.692SS**  trans-125.681.3155.7-173.835.2000107G227D225-G227 PolarHBondContact O-N 3.35Å
226D42.9Very low43.4Very low119 Ų119138 Ų13864%0.63670%0.699SS**  trans-94.980175.1-165.850.7000109.2Y228 N229D226-Y228 PolarHBondContact O-N 2.86Å; D226-Y228 VanDerWaalsContact O-N 3.08Å; D226-N229 PolarHBondContact OD1-ND2 3.48Å; D226-N229 PolarHBondContact OD2-ND2 2.97Å
227G43.4Very low44.7Very low30 Ų30132.7 Ų132.731%0.30969%0.688SS.*  trans-66.9102.1178.400000112.3D225 N229D225-G227 PolarHBondContact O-N 3.35Å; G227-N229 PolarHBondContact O-N 3.11Å; G227-N229 VanDerWaalsContact O-N 3.11Å
228Y53.5Low46Very low224 Ų224129.7 Ų129.788%0.87869%0.685SS**  trans41.857.9151.643.1-93.9000115.9D226 L230D226-Y228 PolarHBondContact O-N 2.86Å; D226-Y228 VanDerWaalsContact O-N 3.08Å; Y228-L230 PolarHBondContact O-N 3.2Å
229N56.2Low47.1Very low82 Ų82133 Ų13344%0.43969%0.686SS.*  trans-61.493.9172.1-74.1-61.5000112.2D226 G227 F231 S232D226-N229 PolarHBondContact OD1-ND2 3.48Å; D226-N229 PolarHBondContact OD2-ND2 2.97Å; G227-N229 PolarHBondContact O-N 3.11Å; G227-N229 VanDerWaalsContact O-N 3.11Å; N229-F231 PolarHBondContact O-N 3.36Å; N229-S232 VanDerWaalsContact O-CB 3.25Å; N229-S232 WeakPolarHBondContact O-CB 3.4Å; N229-S232 PolarHBondContact O-N 2.69Å
230L57.5Low48.3Very low136 Ų136132.1 Ų132.171%0.71267%0.672SS**THydrogen-bonded Turntrans-47.1-34.8174.7-175.171.7000112.8Y228 S232 C233Y228-L230 PolarHBondContact O-N 3.2Å; L230-S232 VanDerWaalsContact C-N 3.25Å; L230-S232 PolarHBondContact O-N 3.32Å; L230-C233 PolarHBondContact O-N 3.3Å
231F53.7Low50.3Low89 Ų89132.3 Ų132.339%0.3966%0.659SS.*Hα-helixtrans-64.6-22.7179-60.6-73.3000114.4N229 C233 L234 S235 L249N229-F231 PolarHBondContact O-N 3.36Å; F231-C233 VanDerWaalsContact C-N 3.26Å; F231-C233 PolarHBondContact O-N 2.93Å; F231-L234 PolarHBondContact O-N 2.86Å; F231-L234 VanDerWaalsContact O-N 3.15Å; F231-S235 PolarHBondContact O-N 2.83Å; F231-S235 PolarHBondContact O-OG 3.17Å; F231-L249 HydrophobicContact CE1-CD1 4.07Å; F231-L249 HydrophobicContact CZ-CD1 4.48Å
232S56.6Low52Low80 Ų80125.3 Ų125.356%0.55964%0.635SS**Hα-helixtrans-67.6-24.7-178.6-160.90000113.1N229 L230 S235N229-S232 VanDerWaalsContact O-CB 3.25Å; N229-S232 WeakPolarHBondContact O-CB 3.4Å; N229-S232 PolarHBondContact O-N 2.69Å; L230-S232 VanDerWaalsContact C-N 3.25Å; L230-S232 PolarHBondContact O-N 3.32Å; S232-S235 PolarHBondContact O-OG 3.4Å
233C57Low53.8Low101 Ų101124.7 Ų124.768%0.68263%0.633SS**Hα-helixtrans-79-32.9172.3-73.90000112.9L230 F231 R236L230-C233 PolarHBondContact O-N 3.3Å; F231-C233 VanDerWaalsContact C-N 3.26Å; F231-C233 PolarHBondContact O-N 2.93Å; C233-R236 WeakPolarHBondContact O-CB 3.48Å
234L53.2Low55.9Low106 Ų106122.8 Ų122.856%0.55561%0.613SS**Hα-helixtrans-78.6-30.3179.5-73.5164.6000112.5F231 R236 L245F231-L234 PolarHBondContact O-N 2.86Å; F231-L234 VanDerWaalsContact O-N 3.15Å; L234-R236 PolarHBondContact O-N 2.79Å; L234-L245 HydrophobicContact CB-CD1 4.17Å
235S53.7Low57.6Low46 Ų46114.6 Ų114.632%0.32258%0.584SS.*THydrogen-bonded Turntrans-75.96.2175.761.10000114.5F231 S232 N237F231-S235 PolarHBondContact O-N 2.83Å; F231-S235 PolarHBondContact O-OG 3.17Å; S232-S235 PolarHBondContact O-OG 3.4Å; S235-N237 PolarHBondContact O-N 3.46Å
236R56.1Low59.3Low213 Ų213109.7 Ų109.780%0.80456%0.559SS**THydrogen-bonded Turntrans-73.8-3.5-175.4-160.1162.1179.1149.3-3.1114.1C233 L234C233-R236 WeakPolarHBondContact O-CB 3.48Å; L234-R236 PolarHBondContact O-N 2.79Å
237N60.3Low61Low122 Ų122107.3 Ų107.365%0.65255%0.549SS*.SBendtrans-84.1116.2167.5-69.7-42.1000109.8S235 W239 L240S235-N237 PolarHBondContact O-N 3.46Å; N237-W239 PolarHBondContact O-N 3.06Å; N237-L240 PolarHBondContact O-N 3.31Å
238P54Low62.9Low125 Ų125109.4 Ų109.481%0.81256%0.556SS**THydrogen-bonded Turntrans-71.916-166.527.8-35.3000116.2
239W57.3Low64.3Low233 Ų233102.4 Ų102.488%0.88353%0.533SS*.THydrogen-bonded Turntrans-119.4-5.2-175.5-79.482.3000115N237N237-W239 PolarHBondContact O-N 3.06Å
240L58Low65.6Low97 Ų97103.3 Ų103.351%0.50854%0.537SS..SBendtrans-122.8112.7169-99.789.8000111.1N237 G242 I244N237-L240 PolarHBondContact O-N 3.31Å; L240-G242 PolarHBondContact O-N 2.9Å; L240-I244 HydrophobicContact CD2-CG2 4.01Å
241P71.9Confident66.6Low77 Ų77102 Ų10250%0.553%0.53SS..  trans-63135.7169.625.6-32.9000110.1W243 I244P241-W243 PolarHBondContact O-N 2.86Å; P241-I244 HydrophobicContact CG-CD1 3.69Å; P241-I244 HydrophobicContact CG-CG1 3.99Å; P241-I244 WeakPolarHBondContact O-CB 3.32Å; P241-I244 PolarHBondContact O-N 3.33Å
242G68.2Low68.2Low31 Ų31100.6 Ų100.632%0.3253%0.531SS..Hα-helixtrans-55.5-26.9-172.300000115.1L240 I244 L245 T246L240-G242 PolarHBondContact O-N 2.9Å; G242-I244 VanDerWaalsContact C-N 3.26Å; G242-I244 PolarHBondContact O-N 2.85Å; G242-L245 WeakPolarHBondContact O-CB 3.37Å; G242-L245 PolarHBondContact O-N 2.73Å; G242-T246 PolarHBondContact O-N 2.94Å; G242-T246 PolarHBondContact O-OG1 3.49Å
243W70.3Confident69.8Low216 Ų216100 Ų10082%0.81852%0.524SS*.Hα-helixtrans-58.9-31.4172.4-62.888.6000113.6P241 T246 T247P241-W243 PolarHBondContact O-N 2.86Å; W243-T246 WeakPolarHBondContact CA-OG1 3.44Å; W243-T246 PolarHBondContact O-OG1 2.85Å; W243-T247 WeakPolarHBondContact O-CB 3.46Å; W243-T247 VanDerWaalsContact O-CG2 3.23Å; W243-T247 WeakPolarHBondContact O-CG2 3.29Å; W243-T247 PolarHBondContact O-N 3.41Å; W243-T247 PolarHBondContact O-OG1 3.1Å
244I75.8Confident70.9Confident80 Ų8098.2 Ų98.241%0.4151%0.513SS..Hα-helixtrans-72.9-37.2174.4-65.2178.9000110.3L240 P241 G242 T247 T248L240-I244 HydrophobicContact CD2-CG2 4.01Å; P241-I244 HydrophobicContact CG-CD1 3.69Å; P241-I244 HydrophobicContact CG-CG1 3.99Å; P241-I244 WeakPolarHBondContact O-CB 3.32Å; P241-I244 PolarHBondContact O-N 3.33Å; G242-I244 VanDerWaalsContact C-N 3.26Å; G242-I244 PolarHBondContact O-N 2.85Å; I244-T247 WeakPolarHBondContact CA-OG1 3.2Å; I244-T247 PolarHBondContact O-OG1 2.9Å; I244-T248 HydrophobicContact CG2-CG2 4.23Å; I244-T248 WeakPolarHBondContact O-CB 3.26Å; I244-T248 VanDerWaalsContact O-CG2 3.26Å; I244-T248 WeakPolarHBondContact O-CG2 3.34Å; I244-T248 PolarHBondContact O-N 3.24Å; I244-T248 PolarHBondContact O-OG1 3.45Å
245L71Confident72.6Confident49 Ų4996.6 Ų96.626%0.25751%0.507SS..Hα-helixtrans-68.9-42.8178.6-144.8172.4000110.9L234 G242 T248 L249L234-L245 HydrophobicContact CB-CD1 4.17Å; G242-L245 WeakPolarHBondContact O-CB 3.37Å; G242-L245 PolarHBondContact O-N 2.73Å; L245-T248 PolarHBondContact O-OG1 3.1Å; L245-T248 VanDerWaalsContact O-OG1 3.12Å; L245-L249 VanDerWaalsContact O-CB 3.32Å; L245-L249 WeakPolarHBondContact O-CB 3.5Å; L245-L249 PolarHBondContact O-N 3.37Å
246T75.9Confident73.9Confident48 Ų4899.6 Ų99.629%0.29452%0.519SS..Hα-helixtrans-67.9-43.9175.356.90000112.2G242 W243 L249 I250G242-T246 PolarHBondContact O-N 2.94Å; G242-T246 PolarHBondContact O-OG1 3.49Å; W243-T246 WeakPolarHBondContact CA-OG1 3.44Å; W243-T246 PolarHBondContact O-OG1 2.85Å; T246-L249 PolarHBondContact O-N 2.9Å; T246-I250 WeakPolarHBondContact O-CB 3.28Å; T246-I250 WeakPolarHBondContact O-CD1 3.47Å; T246-I250 VanDerWaalsContact O-CG1 3.22Å; T246-I250 WeakPolarHBondContact O-CG1 3.3Å; T246-I250 PolarHBondContact O-N 3.39Å
247T78.1Confident75.4Confident69 Ų6994.1 Ų94.142%0.42351%0.505SS..Hα-helixtrans-66.1-39.2177.450.80000112.8W243 I244 I250 L251W243-T247 WeakPolarHBondContact O-CB 3.46Å; W243-T247 VanDerWaalsContact O-CG2 3.23Å; W243-T247 WeakPolarHBondContact O-CG2 3.29Å; W243-T247 PolarHBondContact O-N 3.41Å; W243-T247 PolarHBondContact O-OG1 3.1Å; I244-T247 WeakPolarHBondContact CA-OG1 3.2Å; I244-T247 PolarHBondContact O-OG1 2.9Å; T247-I250 PolarHBondContact O-N 3.16Å; T247-L251 VanDerWaalsContact O-CB 3.26Å; T247-L251 WeakPolarHBondContact O-CB 3.48Å; T247-L251 WeakPolarHBondContact O-CG 3.37Å; T247-L251 PolarHBondContact O-N 2.95Å
248T83.2Confident76.7Confident73 Ų7397.2 Ų97.245%0.44851%0.507SS..Hα-helixtrans-67.4-37.1175.550.20000112.8I244 L245 S252I244-T248 HydrophobicContact CG2-CG2 4.23Å; I244-T248 WeakPolarHBondContact O-CB 3.26Å; I244-T248 VanDerWaalsContact O-CG2 3.26Å; I244-T248 WeakPolarHBondContact O-CG2 3.34Å; I244-T248 PolarHBondContact O-N 3.24Å; I244-T248 PolarHBondContact O-OG1 3.45Å; L245-T248 PolarHBondContact O-OG1 3.1Å; L245-T248 VanDerWaalsContact O-OG1 3.12Å; T248-S252 WeakPolarHBondContact O-CB 3.29Å; T248-S252 PolarHBondContact O-N 2.97Å
249L81.5Confident78.2Confident78 Ų7895.1 Ų95.141%0.40849%0.488SS..Hα-helixtrans-65.3-45.2172.6-171.5158.9000111.5F231 L245 T246 L251 S252 V253F231-L249 HydrophobicContact CE1-CD1 4.07Å; F231-L249 HydrophobicContact CZ-CD1 4.48Å; L245-L249 VanDerWaalsContact O-CB 3.32Å; L245-L249 WeakPolarHBondContact O-CB 3.5Å; L245-L249 PolarHBondContact O-N 3.37Å; T246-L249 PolarHBondContact O-N 2.9Å; L249-L251 PolarHBondContact O-N 3.15Å; L249-S252 PolarHBondContact O-N 2.9Å; L249-S252 PolarHBondContact O-OG 3.12Å; L249-V253 HydrophobicContact CD2-CG2 4.31Å; L249-V253 WeakPolarHBondContact O-CG2 3.32Å; L249-V253 PolarHBondContact O-N 2.89Å
250I83.7Confident79.3Confident101 Ų10187.5 Ų87.552%0.51847%0.47SS..Hα-helixtrans-64.5-41.3177.5-68.6163.4000111.1T246 T247 V253 S254T246-I250 WeakPolarHBondContact O-CB 3.28Å; T246-I250 WeakPolarHBondContact O-CD1 3.47Å; T246-I250 VanDerWaalsContact O-CG1 3.22Å; T246-I250 WeakPolarHBondContact O-CG1 3.3Å; T246-I250 PolarHBondContact O-N 3.39Å; T247-I250 PolarHBondContact O-N 3.16Å; I250-V253 PolarHBondContact O-N 3.22Å; I250-S254 WeakPolarHBondContact O-CB 3.45Å; I250-S254 PolarHBondContact O-N 3.41Å; I250-S254 PolarHBondContact O-OG 2.91Å
251L80.1Confident80.1Confident107 Ų10786.8 Ų86.856%0.5647%0.472SS*.Hα-helixtrans-64.3-40.6175.4-76.2168.3000111.6T247 L249 S254 V255T247-L251 VanDerWaalsContact O-CB 3.26Å; T247-L251 WeakPolarHBondContact O-CB 3.48Å; T247-L251 WeakPolarHBondContact O-CG 3.37Å; T247-L251 PolarHBondContact O-N 2.95Å; L249-L251 PolarHBondContact O-N 3.15Å; L251-S254 PolarHBondContact O-N 2.94Å; L251-V255 WeakPolarHBondContact O-CB 3.32Å; L251-V255 VanDerWaalsContact O-CG2 3.28Å; L251-V255 WeakPolarHBondContact O-CG2 3.42Å; L251-V255 PolarHBondContact O-N 3.1Å
252S86.7Confident80.3Confident60 Ų6084.7 Ų84.742%0.4246%0.461SS..Hα-helixtrans-64.6-42.5177.374.50000111.8T248 L249 V255 L256T248-S252 WeakPolarHBondContact O-CB 3.29Å; T248-S252 PolarHBondContact O-N 2.97Å; L249-S252 PolarHBondContact O-N 2.9Å; L249-S252 PolarHBondContact O-OG 3.12Å; S252-V255 PolarHBondContact O-N 2.69Å; S252-L256 WeakPolarHBondContact O-CB 3.42Å; S252-L256 VanDerWaalsContact O-CG 3.3Å; S252-L256 WeakPolarHBondContact O-CG 3.22Å; S252-L256 PolarHBondContact O-N 3.4Å
253V90Very high80.6Confident69 Ų6986.9 Ų86.942%0.41847%0.469SS..Hα-helixtrans-64.3-42.1174.8173.90000111.2L249 I250 L256 I257L249-V253 HydrophobicContact CD2-CG2 4.31Å; L249-V253 WeakPolarHBondContact O-CG2 3.32Å; L249-V253 PolarHBondContact O-N 2.89Å; I250-V253 PolarHBondContact O-N 3.22Å; V253-L256 PolarHBondContact O-N 3.05Å; V253-I257 HydrophobicContact CG1-CD1 3.84Å; V253-I257 HydrophobicContact CG1-CG1 4.49Å; V253-I257 VanDerWaalsContact O-CG1 3.29Å; V253-I257 WeakPolarHBondContact O-CG1 3.26Å; V253-I257 PolarHBondContact O-N 2.67Å
254S79.8Confident80.7Confident62 Ų6282.1 Ų82.143%0.43446%0.463SS..Hα-helixtrans-66-37.8178-61.40000112.4I250 L251 W258I250-S254 WeakPolarHBondContact O-CB 3.45Å; I250-S254 PolarHBondContact O-N 3.41Å; I250-S254 PolarHBondContact O-OG 2.91Å; L251-S254 PolarHBondContact O-N 2.94Å; S254-W258 WeakPolarHBondContact O-CB 3.39Å; S254-W258 PolarHBondContact O-N 3Å
255V88.3Confident80.5Confident73 Ų7382.4 Ų82.444%0.44248%0.478SS..Hα-helixtrans-69.1-40.3173.8169.20000111.3L251 S252 W258 I259L251-V255 WeakPolarHBondContact O-CB 3.32Å; L251-V255 VanDerWaalsContact O-CG2 3.28Å; L251-V255 WeakPolarHBondContact O-CG2 3.42Å; L251-V255 PolarHBondContact O-N 3.1Å; S252-V255 PolarHBondContact O-N 2.69Å; V255-W258 PolarHBondContact O-N 3.14Å; V255-I259 HydrophobicContact CG1-CD1 3.75Å; V255-I259 HydrophobicContact CG1-CG1 4.35Å; V255-I259 WeakPolarHBondContact O-CB 3.33Å; V255-I259 VanDerWaalsContact O-CG1 3.28Å; V255-I259 WeakPolarHBondContact O-CG1 3.23Å; V255-I259 PolarHBondContact O-N 3.03Å
256L82.1Confident80.1Confident108 Ų10885.2 Ų85.257%0.56550%0.497SS*.Hα-helixtrans-61.7-44.9173.5-74.3170.3000111.5S252 V253 I259 C260S252-L256 WeakPolarHBondContact O-CB 3.42Å; S252-L256 VanDerWaalsContact O-CG 3.3Å; S252-L256 WeakPolarHBondContact O-CG 3.22Å; S252-L256 PolarHBondContact O-N 3.4Å; V253-L256 PolarHBondContact O-N 3.05Å; L256-I259 PolarHBondContact O-N 3.29Å; L256-C260 WeakPolarHBondContact O-CB 3.43Å; L256-C260 PolarHBondContact O-N 3.05Å; L256-C260 PolarHBondContact O-SG 3.15Å
257I87.2Confident78.7Confident99 Ų9985.7 Ų85.751%0.50851%0.505SS..Hα-helixtrans-61.8-44.5175.1-68.6165.6000110.6V253 C260 C261V253-I257 HydrophobicContact CG1-CD1 3.84Å; V253-I257 HydrophobicContact CG1-CG1 4.49Å; V253-I257 VanDerWaalsContact O-CG1 3.29Å; V253-I257 WeakPolarHBondContact O-CG1 3.26Å; V253-I257 PolarHBondContact O-N 2.67Å; I257-C260 PolarHBondContact O-N 3.07Å; I257-C261 WeakPolarHBondContact O-CB 3.44Å; I257-C261 PolarHBondContact O-N 2.94Å; I257-C261 PolarHBondContact O-SG 3.48Å; I257-C261 VanDerWaalsContact O-SG 3.35Å
258W88.4Confident77.2Confident187 Ų18788.4 Ų88.471%0.70852%0.522SS*.Hα-helixtrans-62.5-42.9177.517969.5000112.4S254 V255 C261 A262S254-W258 WeakPolarHBondContact O-CB 3.39Å; S254-W258 PolarHBondContact O-N 3Å; V255-W258 PolarHBondContact O-N 3.14Å; W258-C261 PolarHBondContact O-N 3.41Å; W258-A262 VanDerWaalsContact O-CB 3.27Å; W258-A262 WeakPolarHBondContact O-CB 3.48Å; W258-A262 PolarHBondContact O-N 2.66Å
259I86Confident75.3Confident80 Ų8091.7 Ų91.741%0.4154%0.537SS..Hα-helixtrans-64.2-45.6174.7-69.1168.8000110.3V255 L256 C261 A262 T263V255-I259 HydrophobicContact CG1-CD1 3.75Å; V255-I259 HydrophobicContact CG1-CG1 4.35Å; V255-I259 WeakPolarHBondContact O-CB 3.33Å; V255-I259 VanDerWaalsContact O-CG1 3.28Å; V255-I259 WeakPolarHBondContact O-CG1 3.23Å; V255-I259 PolarHBondContact O-N 3.03Å; L256-I259 PolarHBondContact O-N 3.29Å; I259-C261 PolarHBondContact O-N 3.33Å; I259-A262 PolarHBondContact O-N 3.41Å; I259-T263 HydrophobicContact CG2-CG2 4.26Å; I259-T263 WeakPolarHBondContact O-CG2 3.3Å; I259-T263 PolarHBondContact O-N 3.37Å; I259-T263 PolarHBondContact O-OG1 3.08Å; I259-T263 VanDerWaalsContact O-OG1 3.06Å
260C78.5Confident73.6Confident74 Ų7496.1 Ų96.150%0.556%0.555SS.*Hα-helixtrans-57.2-49.5175.5-72.90000111.6L256 I257 A262 T263 V264L256-C260 WeakPolarHBondContact O-CB 3.43Å; L256-C260 PolarHBondContact O-N 3.05Å; L256-C260 PolarHBondContact O-SG 3.15Å; I257-C260 PolarHBondContact O-N 3.07Å; C260-A262 PolarHBondContact O-N 3.17Å; C260-T263 WeakPolarHBondContact CA-OG1 3.24Å; C260-T263 PolarHBondContact O-N 2.85Å; C260-T263 PolarHBondContact O-OG1 3.5Å; C260-V264 WeakPolarHBondContact O-CG2 3.18Å; C260-V264 PolarHBondContact O-N 2.96Å
261C75.9Confident71.6Confident81 Ų81101 Ų10155%0.54757%0.568SS.*Hα-helixtrans-62.5-40176.8-70.30000112.5I257 W258 I259 V264 A265I257-C261 WeakPolarHBondContact O-CB 3.44Å; I257-C261 PolarHBondContact O-N 2.94Å; I257-C261 PolarHBondContact O-SG 3.48Å; I257-C261 VanDerWaalsContact O-SG 3.35Å; W258-C261 PolarHBondContact O-N 3.41Å; I259-C261 PolarHBondContact O-N 3.33Å; C261-V264 PolarHBondContact O-N 3.07Å; C261-A265 WeakPolarHBondContact O-CB 3.49Å; C261-A265 PolarHBondContact O-N 3Å
262A76.7Confident70Confident34 Ų34100.9 Ų100.928%0.28157%0.572SS.*Hα-helixtrans-63.4-46.517400000111W258 I259 C260 V264 A265 T266W258-A262 VanDerWaalsContact O-CB 3.27Å; W258-A262 WeakPolarHBondContact O-CB 3.48Å; W258-A262 PolarHBondContact O-N 2.66Å; I259-A262 PolarHBondContact O-N 3.41Å; C260-A262 PolarHBondContact O-N 3.17Å; A262-V264 VanDerWaalsContact C-N 3.29Å; A262-V264 PolarHBondContact O-N 2.86Å; A262-A265 CarbonylContact O-C 3.58Å; A262-A265 PolarHBondContact O-N 3.33Å; A262-T266 WeakPolarHBondContact O-CB 3.5Å; A262-T266 WeakPolarHBondContact O-CG2 3.48Å; A262-T266 PolarHBondContact O-N 3.19Å; A262-T266 PolarHBondContact O-OG1 3.39Å
263T73.7Confident68Low77 Ų77102.6 Ų102.647%0.47258%0.581SS.*Hα-helixtrans-65.7-27.3177.653.90000113.5I259 C260 A267I259-T263 HydrophobicContact CG2-CG2 4.26Å; I259-T263 WeakPolarHBondContact O-CG2 3.3Å; I259-T263 PolarHBondContact O-N 3.37Å; I259-T263 PolarHBondContact O-OG1 3.08Å; I259-T263 VanDerWaalsContact O-OG1 3.06Å; C260-T263 WeakPolarHBondContact CA-OG1 3.24Å; C260-T263 PolarHBondContact O-N 2.85Å; C260-T263 PolarHBondContact O-OG1 3.5Å; T263-A267 WeakPolarHBondContact O-CA 3.37Å; T263-A267 WeakPolarHBondContact O-CB 3.33Å; T263-A267 PolarHBondContact O-N 2.95Å
264V72.9Confident65.9Low116 Ų116103.6 Ų103.670%0.70360%0.597SS**Hα-helixtrans-76.7-40.7171.9171.50000110.9C260 C261 A262 T266C260-V264 WeakPolarHBondContact O-CG2 3.18Å; C260-V264 PolarHBondContact O-N 2.96Å; C261-V264 PolarHBondContact O-N 3.07Å; A262-V264 VanDerWaalsContact C-N 3.29Å; A262-V264 PolarHBondContact O-N 2.86Å; V264-T266 VanDerWaalsContact C-N 3.35Å
265A71.6Confident64.3Low86 Ų86108 Ų10871%0.71161%0.611SS**Hα-helixtrans-76.2-18.8178.600000114.2C261 A262C261-A265 WeakPolarHBondContact O-CB 3.49Å; C261-A265 PolarHBondContact O-N 3Å; A262-A265 CarbonylContact O-C 3.58Å; A262-A265 PolarHBondContact O-N 3.33Å
266T62.6Low62.2Low108 Ų108113.3 Ų113.366%0.66363%0.628SS**SBendtrans-116.35.9175.572.60000113.2A262 V264 V268A262-T266 WeakPolarHBondContact O-CB 3.5Å; A262-T266 WeakPolarHBondContact O-CG2 3.48Å; A262-T266 PolarHBondContact O-N 3.19Å; A262-T266 PolarHBondContact O-OG1 3.39Å; V264-T266 VanDerWaalsContact C-N 3.35Å; T266-V268 PolarHBondContact O-N 2.95Å
267A46.4Very low60.9Low57 Ų57116.2 Ų116.247%0.47164%0.643SS.*SBendtrans-60.1109.7156.700000105.1T263 D269T263-A267 WeakPolarHBondContact O-CA 3.37Å; T263-A267 WeakPolarHBondContact O-CB 3.33Å; T263-A267 PolarHBondContact O-N 2.95Å; A267-D269 PolarHBondContact O-N 3.12Å; A267-D269 VanDerWaalsContact O-N 3.08Å
268V46.8Very low59.1Low126 Ų126114.7 Ų114.776%0.76464%0.642SS**  trans-52121.6164.2-178.70000104.9T266 Q270T266-V268 PolarHBondContact O-N 2.95Å; V268-Q270 PolarHBondContact O-N 3.08Å
269D41.4Very low57.9Low143 Ų143113.5 Ų113.577%0.76565%0.647SS**  trans-56.693.3176.9-88-47.9000108.1A267 Y271A267-D269 PolarHBondContact O-N 3.12Å; A267-D269 VanDerWaalsContact O-N 3.08Å; D269-Y271 HydrophobicContact CB-CD2 4.46Å; D269-Y271 PolarHBondContact O-N 2.85Å
270Q46.1Very low56.4Low170 Ų170119.2 Ų119.279%0.79467%0.665SS**  trans-72.671.1157.7-68.7-167.9-55.300105.6V268 V272V268-Q270 PolarHBondContact O-N 3.08Å; Q270-V272 HydrophobicContact CB-CG2 4.49Å; Q270-V272 PolarHBondContact O-N 3.09Å
271Y41.6Very low55.2Low204 Ų204117 Ų11780%0.866%0.655SS**  trans-46.390.1132.1-101.1-92.2000106D269 P273D269-Y271 HydrophobicContact CB-CD2 4.46Å; D269-Y271 PolarHBondContact O-N 2.85Å; Y271-P273 VanDerWaalsContact C-N 3.27Å; Y271-P273 WeakPolarHBondContact O-CD 3.42Å
272V46.9Very low54Low104 Ų104120 Ų12063%0.6367%0.666SS**  trans-74.693.2144.6-179.30000102.4Q270 A274Q270-V272 HydrophobicContact CB-CG2 4.49Å; Q270-V272 PolarHBondContact O-N 3.09Å; V272-A274 PolarHBondContact O-N 3.04Å
273P44.6Very low52.9Low96 Ų96125.8 Ų125.862%0.62368%0.684SS**  trans-54.2122.616826.3-34.3000105.4Y271 E275Y271-P273 VanDerWaalsContact C-N 3.27Å; Y271-P273 WeakPolarHBondContact O-CD 3.42Å; P273-E275 WeakPolarHBondContact O-CA 3.48Å; P273-E275 PolarHBondContact O-N 3.27Å
274A46.4Very low51.8Low91 Ų91127.2 Ų127.275%0.75269%0.689SS**  trans-47.1110.4-17000000109.1V272 K276V272-A274 PolarHBondContact O-N 3.04Å; A274-K276 PolarHBondContact O-N 2.73Å
275E45.8Very low50.8Low155 Ų155130 Ų13072%0.72469%0.688SS**  trans-66.399.6-162.8-171.1177.8159.600107.7P273 L277P273-E275 WeakPolarHBondContact O-CA 3.48Å; P273-E275 PolarHBondContact O-N 3.27Å; E275-L277 PolarHBondContact O-N 2.93Å
276K44.6Very low50Low184 Ų184131.9 Ų131.980%0.869%0.685SS**  trans-57.6116.9175.8-67.6-172.8179.5-178.10105.4A274 S278A274-K276 PolarHBondContact O-N 2.73Å; K276-S278 VanDerWaalsContact C-N 3.29Å; K276-S278 WeakPolarHBondContact O-CA 3.4Å; K276-S278 PolarHBondContact O-N 3.32Å
277L54.1Low49.4Very low168 Ų168134.9 Ų134.988%0.8869%0.689SS**  trans-46.996.5-179.2-81.5114.2000109.6E275 I279E275-L277 PolarHBondContact O-N 2.93Å; L277-I279 VanDerWaalsContact C-N 3.35Å; L277-I279 PolarHBondContact O-N 3.04Å
278S50.6Low49.4Very low68 Ų68140.7 Ų140.748%0.47671%0.706SS.*  trans-86.189.1-169.459.30000106.3K276 Y280 G281K276-S278 VanDerWaalsContact C-N 3.29Å; K276-S278 WeakPolarHBondContact O-CA 3.4Å; K276-S278 PolarHBondContact O-N 3.32Å; S278-Y280 PolarHBondContact O-N 3.26Å; S278-G281 PolarHBondContact O-N 2.82Å; S278-G281 WeakPolarHBondContact OG-CA 3.25Å
279I63.1Low49.4Very low162 Ų162140.8 Ų140.883%0.83170%0.699SS**THydrogen-bonded Turntrans-56.8-3.5178.1-78.4173.7000112.7L277L277-I279 VanDerWaalsContact C-N 3.35Å; L277-I279 PolarHBondContact O-N 3.04Å
280Y54.2Low49.5Very low199 Ų199142.9 Ų142.978%0.7870%0.701SS**THydrogen-bonded Turntrans-138.933.6167.4-122.9-88.7000115.5S278 D282S278-Y280 PolarHBondContact O-N 3.26Å; Y280-D282 PolarHBondContact O-N 3.22Å
281G52.3Low49.6Very low28 Ų28142.1 Ų142.129%0.28970%0.701SS.*G310 helixtrans-72.5-19.1-178.700000116.6S278 K283S278-G281 PolarHBondContact O-N 2.82Å; S278-G281 WeakPolarHBondContact OG-CA 3.25Å; G281-K283 PolarHBondContact O-N 3.48Å
282D51.5Low49.8Very low144 Ų144138.2 Ų138.277%0.7770%0.699SS**G310 helixtrans-66.9-12.8-169.4-166.242.9000114.9Y280Y280-D282 PolarHBondContact O-N 3.22Å
283K53.3Low49.8Very low155 Ų155139 Ų13967%0.67471%0.707SS**G310 helixtrans-92.8-26.5-173.8-170170.9172.1-177.30114.7G281G281-K283 PolarHBondContact O-N 3.48Å
284D51.3Low49.7Very low107 Ų107143.9 Ų143.957%0.57271%0.714SS**THydrogen-bonded Turntrans-94.5-22.6-174.5-67.6-44.5000112.9I286 K287 E288D284-I286 VanDerWaalsContact C-N 3.27Å; D284-I286 PolarHBondContact O-N 3.2Å; D284-K287 PolarHBondContact O-N 3.01Å; D284-E288 PolarHBondContact O-N 3.34Å
285Y50.7Low49.8Very low175 Ų175143.8 Ų143.869%0.68671%0.705SS**Hα-helixtrans-59-35.2175.2-162.1-96.4000113.3K287Y285-K287 PolarHBondContact O-N 3.24Å
286I55.1Low50Low125 Ų125141.3 Ų141.364%0.64171%0.712SS**Hα-helixtrans-69-24.8178.4-58177.5000111.6D284D284-I286 VanDerWaalsContact C-N 3.27Å; D284-I286 PolarHBondContact O-N 3.2Å
287K49.7Very low50.5Low171 Ų171137.9 Ų137.974%0.74371%0.711SS**Hα-helixtrans-89.5-27.3-172.2-143.6178.4-174.2-175.70113.3D284 Y285D284-K287 PolarHBondContact O-N 3.01Å; Y285-K287 PolarHBondContact O-N 3.24Å
288E48Very low50.2Low179 Ų179134 Ų13484%0.83670%0.698SS**Hα-helixtrans-86.8-8.2173.7-60.1-157.5163.700113.2D284 K290D284-E288 PolarHBondContact O-N 3.34Å; E288-K290 PolarHBondContact O-N 3.22Å
289Q46.5Very low49.9Very low129 Ų129136.8 Ų136.860%0.60371%0.707SS**  trans-72.244.6172.8-152.9173.342.900113.4L291Q289-L291 PolarHBondContact O-N 3.15Å
290K42.9Very low49.2Very low186 Ų186136.2 Ų136.281%0.80970%0.704SS**  trans-71.572157.7-83.6-172.8174.4178.80109.7E288 T292E288-K290 PolarHBondContact O-N 3.22Å; K290-T292 PolarHBondContact O-N 3.06Å; K290-T292 VanDerWaalsContact O-N 3.11Å
291L48.3Very low49Very low154 Ų154132.7 Ų132.781%0.80670%0.697SS**  trans15.884.6151.8-67.8150000114.3Q289 P293Q289-L291 PolarHBondContact O-N 3.15Å; L291-P293 WeakPolarHBondContact O-CD 3.46Å
292T45.1Very low48.8Very low122 Ų122138.6 Ų138.675%0.74872%0.721SS**PPolyproline II helixtrans-63.1121.9154.340.70000107.1K290 Y294K290-T292 PolarHBondContact O-N 3.06Å; K290-T292 VanDerWaalsContact O-N 3.11Å; T292-Y294 PolarHBondContact O-N 3.33Å
293P47.7Very low48.4Very low122 Ų122137.4 Ų137.479%0.79272%0.719SS**PPolyproline II helixtrans-66.3123.6-178.125.3-32.5000109.4L291L291-P293 WeakPolarHBondContact O-CD 3.46Å
294Y43.1Very low47.8Very low197 Ų197135.4 Ų135.477%0.77372%0.724SS**PPolyproline II helixtrans-57.9140.6176.4-82.3-91.3000110.8T292 A296T292-Y294 PolarHBondContact O-N 3.33Å; Y294-A296 PolarHBondContact O-N 3.45Å
295P47.4Very low47.5Very low89 Ų89140.5 Ų140.558%0.57874%0.741SS**PPolyproline II helixtrans-61136.9172.326.7-33.7000109.8S297P295-S297 PolarHBondContact O-N 3.3Å
296A50.1Low47.1Very low104 Ų104134.5 Ų134.586%0.8673%0.733SS**THydrogen-bonded Turntrans-7015.4-16800000115.8Y294Y294-A296 PolarHBondContact O-N 3.45Å
297S54.4Low46.6Very low112 Ų112134.4 Ų134.478%0.78374%0.74SS**THydrogen-bonded Turntrans-99.2-5.5-172.451.50000115.4P295P295-S297 PolarHBondContact O-N 3.3Å
298S48.8Very low46.6Very low87 Ų87135.7 Ų135.761%0.60875%0.749SS**SBendtrans-126.99.3-178.960.20000115.1I300S298-I300 PolarHBondContact O-N 3.28Å
299L44.4Very low46.6Very low126 Ų126135.8 Ų135.866%0.6675%0.749SS**  trans-89.191.2-174.3-149.5164000111.4I301L299-I301 HydrophobicContact CD2-CD1 4.21Å; L299-I301 HydrophobicContact CD2-CG1 3.37Å; L299-I301 PolarHBondContact O-N 2.9Å
300I48.8Very low46.8Very low149 Ų149139 Ų13976%0.76476%0.764SS**  trans-79.399173.1-58.4176.6000109S298 I302S298-I300 PolarHBondContact O-N 3.28Å; I300-I302 HydrophobicContact CG2-CG1 4.24Å; I300-I302 PolarHBondContact O-N 3.03Å
301I49.1Very low47.2Very low125 Ų125135 Ų13564%0.64177%0.765SS**  trans-79.9101.9174.7-50.4174.2000109.2L299 T303L299-I301 HydrophobicContact CD2-CD1 4.21Å; L299-I301 HydrophobicContact CD2-CG1 3.37Å; L299-I301 PolarHBondContact O-N 2.9Å; I301-T303 HydrophobicContact CG2-CG2 3.61Å; I301-T303 PolarHBondContact O-N 2.86Å; I301-T303 VanDerWaalsContact O-N 3.1Å
302I48.4Very low48Very low153 Ų153130.4 Ų130.479%0.78576%0.756SS**  trans-78.690.2168.3-55.5178.3000108.2I300 S304I300-I302 HydrophobicContact CG2-CG1 4.24Å; I300-I302 PolarHBondContact O-N 3.03Å; I302-S304 PolarHBondContact O-N 3.11Å; I302-S304 VanDerWaalsContact O-N 3.09Å
303T42.9Very low48.9Very low119 Ų119130.8 Ų130.873%0.7376%0.76SS**  trans-7790.9172.948.70000110.7I301 K305I301-T303 HydrophobicContact CG2-CG2 3.61Å; I301-T303 PolarHBondContact O-N 2.86Å; I301-T303 VanDerWaalsContact O-N 3.1Å; T303-K305 PolarHBondContact O-N 3.04Å; T303-K305 VanDerWaalsContact O-N 3.13Å
304S41.1Very low49.3Very low112 Ų112132.7 Ų132.778%0.78376%0.763SS**  trans-67.4106.4165.6-178.70000109.5I302 G306I302-S304 PolarHBondContact O-N 3.11Å; I302-S304 VanDerWaalsContact O-N 3.09Å; S304-G306 VanDerWaalsContact C-N 3.27Å; S304-G306 PolarHBondContact O-N 2.75Å
305K45.1Very low50Low215 Ų215129.1 Ų129.194%0.93576%0.764SS**  trans-82.871.2177.1-166.4-179.2-178.5-179.30110.5T303T303-K305 PolarHBondContact O-N 3.04Å; T303-K305 VanDerWaalsContact O-N 3.13Å
306G43.2Very low50.8Low49 Ų49130 Ų13051%0.50577%0.772SS.*  trans-110.7148.7168.800000111S304S304-G306 VanDerWaalsContact C-N 3.27Å; S304-G306 PolarHBondContact O-N 2.75Å
307P43.2Very low50.8Low122 Ų122134.6 Ų134.679%0.79277%0.773SS**  trans-67.1151.3178.529.4-34.6000111.9E309P307-E309 PolarHBondContact O-N 2.69Å; P307-E309 VanDerWaalsContact O-N 3.07Å
308E50Low51.2Low199 Ų199135.2 Ų135.293%0.9377%0.772SS**  trans-70.498178.2-62.3179.6166.600110.6
309E48.4Very low51Low181 Ų181137.8 Ų137.885%0.84678%0.778SS**  trans-100.1113.4160.8-72.7-169.7154.700109P307 A311P307-E309 PolarHBondContact O-N 2.69Å; P307-E309 VanDerWaalsContact O-N 3.07Å; E309-A311 PolarHBondContact O-N 2.95Å
310E49.5Very low51.8Low195 Ų195139.1 Ų139.191%0.91179%0.785SS**PPolyproline II helixtrans-60.1124177.6-64-179.1136.900110.4G312E310-G312 PolarHBondContact O-N 3.11Å
311A51.7Low52.1Low102 Ų102136 Ų13684%0.84379%0.79SS**PPolyproline II helixtrans-64.6121.4174.700000110.1E309E309-A311 PolarHBondContact O-N 2.95Å
312G66.7Low52.6Low59 Ų59138.8 Ų138.861%0.60880%0.8SS**PPolyproline II helixtrans-58.2154.818000000113.4E310 L314E310-G312 PolarHBondContact O-N 3.11Å; G312-L314 PolarHBondContact O-N 2.89Å
313P62.2Low52.5Low129 Ų129135.8 Ų135.884%0.83879%0.793SS**PPolyproline II helixtrans-61.2137.2-172.624.9-34.5000112.3
314L56.3Low52.8Low163 Ų163138.3 Ų138.385%0.85380%0.802SS**PPolyproline II helixtrans-60142.1178.7-73.392.3000111.2G312G312-L314 PolarHBondContact O-N 2.89Å
315P57.9Low53Low121 Ų121144.2 Ų144.279%0.78682%0.822SS**PPolyproline II helixtrans-61.3143.1177.925.7-34.1000111.4K317P315-K317 PolarHBondContact O-N 2.95Å
316S64.4Low53.4Low108 Ų108140.7 Ų140.776%0.75582%0.817SS**PPolyproline II helixtrans-61.6134.8-178.450.50000111.7V318S316-V318 PolarHBondContact O-N 3.14Å; S316-V318 VanDerWaalsContact O-N 3.09Å
317K49.9Very low53.9Low201 Ų201145.5 Ų145.587%0.87483%0.833SS**  trans-60.1114.9177.3-74.8-173.6175.5-177.40110.5P315P315-K317 PolarHBondContact O-N 2.95Å
318V63.8Low54.5Low125 Ų125146.8 Ų146.876%0.75884%0.835SS**  trans-73.3126.5170.8-175.60000108.8S316 L320S316-V318 PolarHBondContact O-N 3.14Å; S316-V318 VanDerWaalsContact O-N 3.09Å; V318-L320 PolarHBondContact O-N 3.42Å
319N43.1Very low54.8Low140 Ų140143.8 Ų143.875%0.74983%0.83SS**  trans-76.8105.5176.5-81.7-69.2000110.4G321 Q322N319-G321 PolarHBondContact O-N 2.89Å; N319-G321 VanDerWaalsContact O-N 3.09Å; N319-Q322 PolarHBondContact O-N 3.08Å
320L61.1Low55.2Low154 Ų154141.4 Ų141.481%0.80683%0.829SS**G310 helixtrans-65.4-6.4177.9-74.5157.1000114.4V318 Q322V318-L320 PolarHBondContact O-N 3.42Å; L320-Q322 VanDerWaalsContact C-N 3.26Å; L320-Q322 PolarHBondContact O-N 3.4Å
321G56.4Low55.6Low83 Ų83137.9 Ų137.986%0.85682%0.823SS**G310 helixtrans-80.15.8176.900000115.5N319N319-G321 PolarHBondContact O-N 2.89Å; N319-G321 VanDerWaalsContact O-N 3.09Å
322Q58.5Low55.8Low185 Ų185140.4 Ų140.486%0.86482%0.822SS**G310 helixtrans-136.123-176.3-147.8169.513.800114.3N319 L320N319-Q322 PolarHBondContact O-N 3.08Å; L320-Q322 VanDerWaalsContact C-N 3.26Å; L320-Q322 PolarHBondContact O-N 3.4Å
323S46.2Very low55Low90 Ų90146.7 Ų146.763%0.62984%0.838SS**  trans-94111.6163.951.50000109.9I325S323-I325 PolarHBondContact O-N 3.42Å
324N49.1Very low54.4Low171 Ų171148.2 Ų148.291%0.91484%0.838SS**  trans-82.9106.5170-130.1-8.1000108.2
325I46.3Very low54.3Low237 Ų237146.8 Ų146.8100%1.21584%0.837SS**  trans-156.10161.4-102.9157.3000107.3S323S323-I325 PolarHBondContact O-N 3.42Å

Retrieved 325 of 325 residues in 142.8 ms (Link to these results)