A0A077YVX4_TRITR Loading...

Zinc transporter 1

AlphaFold DB , UniProt , Accession A0A077YVX4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 432 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
1M35.4Very low63.8Low241 Ų24181 Ų81100%1.18748%0.48SS*.  0116.70-80.1162.6160.500107.5T3M1-T3 PolarHBondContact O-N 3.28Å
2G45.3Very low65.8Low68 Ų6879.3 Ų79.370%0.70147%0.466SS*.  trans-63.6122-179.100000109.6F4G2-F4 PolarHBondContact O-N 2.96Å
3T41.7Very low67.6Low138 Ų13878.5 Ų78.585%0.84746%0.463SS*.  trans-59.7110.1171.146.60000107M1 S5M1-T3 PolarHBondContact O-N 3.28Å; T3-S5 PolarHBondContact O-N 3.34Å
4F48.5Very low69Low119 Ų11973.1 Ų73.152%0.52243%0.431SS..  trans-59.6110.4173.3-77.3-95.1000106.7G2 C9 L12 F55G2-F4 PolarHBondContact O-N 2.96Å; F4-C9 HydrophobicContact CB-CB 4.07Å; F4-L12 HydrophobicContact CE1-CD2 4.04Å; F4-L12 HydrophobicContact CZ-CD2 4.21Å; F4-F55 HydrophobicContact CE1-CE2 4.04Å; F4-F55 AromaticContact CE1-CZ 3.94Å; F4-F55 HydrophobicContact CE1-CZ 3.94Å
5S60.2Low70.4Confident54 Ų5469.7 Ų69.738%0.37841%0.41SS..  trans-52.4147.6166.9-179.80000108.2T3 K7 S8 C9T3-S5 PolarHBondContact O-N 3.34Å; S5-K7 PolarHBondContact O-N 2.9Å; S5-S8 PolarHBondContact O-N 3.09Å; S5-C9 PolarHBondContact O-N 3.24Å
6G73.1Confident71.9Confident49 Ų4970.6 Ų70.651%0.50542%0.416SS..Hα-helixtrans-49.3-31.2-177.700000113.7R10G6-R10 WeakPolarHBondContact O-CB 3.47Å; G6-R10 WeakPolarHBondContact O-CD 3.31Å; G6-R10 WeakPolarHBondContact O-CG 3.28Å; G6-R10 PolarHBondContact O-N 3.46Å
7K72.5Confident73Confident97 Ų9769 Ų6942%0.42241%0.405SS..Hα-helixtrans-66.6-48.6174.2-60-177.6-177.2-179.10113.4S5 C9 R10 L11S5-K7 PolarHBondContact O-N 2.9Å; K7-C9 VanDerWaalsContact C-N 3.34Å; K7-R10 PolarHBondContact O-N 2.93Å; K7-L11 PolarHBondContact O-N 3.28Å
8S75.3Confident74Confident21 Ų2165.4 Ų65.415%0.14738%0.384CS..Hα-helixtrans-68.3-35.5179.8-56.30000111.8S5 L12S5-S8 PolarHBondContact O-N 3.09Å; S8-L12 WeakPolarHBondContact O-CB 3.32Å; S8-L12 PolarHBondContact O-N 2.98Å
9C83.6Confident75.1Confident57 Ų5766.8 Ų66.839%0.38539%0.385SS..Hα-helixtrans-63.2-49.1173.3-172.60000110.8F4 S5 K7 L11 L12 V13F4-C9 HydrophobicContact CB-CB 4.07Å; S5-C9 PolarHBondContact O-N 3.24Å; K7-C9 VanDerWaalsContact C-N 3.34Å; C9-L11 PolarHBondContact O-N 3.45Å; C9-L12 WeakPolarHBondContact O-CB 3.33Å; C9-L12 PolarHBondContact O-N 3.18Å; C9-L12 VanDerWaalsContact O-N 3.16Å; C9-V13 WeakPolarHBondContact O-CG2 3.32Å; C9-V13 PolarHBondContact O-N 2.95Å
10R83.2Confident76.1Confident43 Ų4366.6 Ų66.616%0.16239%0.387CS..Hα-helixtrans-56.7-47.2176-79166.563.9-148.1-0.6112.5G6 K7 L12 V13 M14 M132 H136G6-R10 WeakPolarHBondContact O-CB 3.47Å; G6-R10 WeakPolarHBondContact O-CD 3.31Å; G6-R10 WeakPolarHBondContact O-CG 3.28Å; G6-R10 PolarHBondContact O-N 3.46Å; K7-R10 PolarHBondContact O-N 2.93Å; R10-L12 VanDerWaalsContact C-N 3.31Å; R10-L12 PolarHBondContact O-N 3.35Å; R10-V13 PolarHBondContact O-N 3.49Å; R10-M14 PolarHBondContact O-N 2.65Å; R10-M132 HydrophobicContact CB-CE 3.89Å; R10-M132 HydrophobicContact CB-SD 4.38Å; R10-M132 HydrophobicContact CG-CE 4.29Å; R10-M132 HydrophobicContact CG-CG 4.17Å; R10-M132 HydrophobicContact CG-SD 4.16Å; R10-M132 PolarHBondContact NE-O 3.02Å; R10-M132 PolarHBondContact NH2-O 2.69Å; R10-M132 WeakPolarHBondContact O-CE 3.47Å; R10-H136 PolarHBondContact NH1-CD2 2.95Å
11L82.9Confident77Confident4 Ų463.9 Ų63.92%0.02137%0.371CS..Hα-helixtrans-64-37.7178.6-164.8109.7000112K7 C9 L15 L51 F55 M58 V221K7-L11 PolarHBondContact O-N 3.28Å; C9-L11 PolarHBondContact O-N 3.45Å; L11-L15 WeakPolarHBondContact O-CB 3.49Å; L11-L15 PolarHBondContact O-N 3.44Å; L11-L51 HydrophobicContact CD1-CD2 3.81Å; L11-L51 HydrophobicContact CG-CD2 4.15Å; L11-F55 HydrophobicContact CD2-CB 3.45Å; L11-F55 VanDerWaalsContact CD2-CB 3.45Å; L11-F55 HydrophobicContact CD2-CD2 3.81Å; L11-F55 HydrophobicContact CD2-CG 4.12Å; L11-M58 HydrophobicContact CB-CE 4.09Å; L11-M58 HydrophobicContact CD1-CE 3.86Å; L11-M58 HydrophobicContact CD2-CE 3.46Å; L11-M58 VanDerWaalsContact CD2-CE 3.46Å; L11-M58 HydrophobicContact CG-CE 3.99Å; L11-V221 HydrophobicContact CD1-CG2 4.46Å
12L88.1Confident79.8Confident60 Ų6053.3 Ų53.331%0.31432%0.318SS..Hα-helixtrans-65.9-42.1174.8-176.967.7000112F4 S8 C9 R10 L15 V16F4-L12 HydrophobicContact CE1-CD2 4.04Å; F4-L12 HydrophobicContact CZ-CD2 4.21Å; S8-L12 WeakPolarHBondContact O-CB 3.32Å; S8-L12 PolarHBondContact O-N 2.98Å; C9-L12 WeakPolarHBondContact O-CB 3.33Å; C9-L12 PolarHBondContact O-N 3.18Å; C9-L12 VanDerWaalsContact O-N 3.16Å; R10-L12 VanDerWaalsContact C-N 3.31Å; R10-L12 PolarHBondContact O-N 3.35Å; L12-L15 PolarHBondContact O-N 3.36Å; L12-V16 WeakPolarHBondContact O-CG2 3.44Å; L12-V16 PolarHBondContact O-N 3Å
13V89.4Confident82.3Confident70 Ų7053.6 Ų53.642%0.42430%0.303SS..Hα-helixtrans-62.1-46.4177.1170.20000110.8C9 R10 V16 L17 M132C9-V13 WeakPolarHBondContact O-CG2 3.32Å; C9-V13 PolarHBondContact O-N 2.95Å; R10-V13 PolarHBondContact O-N 3.49Å; V13-V16 PolarHBondContact O-N 2.93Å; V13-L17 VanDerWaalsContact O-CB 3.32Å; V13-L17 WeakPolarHBondContact O-CB 3.48Å; V13-L17 PolarHBondContact O-N 3.36Å; V13-M132 HydrophobicContact CB-SD 4.41Å; V13-M132 HydrophobicContact CG1-SD 4.09Å
14M86.8Confident84.9Confident3 Ų349.6 Ų49.62%0.01528%0.279CS..Hα-helixtrans-58.7-48.8172.5-81.7-5085.900111.8R10 V16 L17 T18 L51 G129 M132 F133R10-M14 PolarHBondContact O-N 2.65Å; M14-V16 PolarHBondContact O-N 3.47Å; M14-L17 HydrophobicContact CE-CD1 4.24Å; M14-L17 HydrophobicContact CE-CD2 4.26Å; M14-L17 PolarHBondContact O-N 3.43Å; M14-L17 VanDerWaalsContact O-N 3.08Å; M14-L17 HydrophobicContact SD-CD2 4.45Å; M14-T18 WeakPolarHBondContact O-CB 3.34Å; M14-T18 PolarHBondContact O-N 3.1Å; M14-T18 PolarHBondContact O-OG1 3.4Å; M14-L51 HydrophobicContact CB-CD1 4.14Å; M14-G129 WeakPolarHBondContact SD-CA 3.45Å; M14-M132 HydrophobicContact CB-CE 4.19Å; M14-M132 HydrophobicContact CE-CB 4.18Å; M14-M132 HydrophobicContact CE-CE 3.11Å; M14-M132 HydrophobicContact CE-SD 3.6Å; M14-M132 HydrophobicContact CG-CE 3.22Å; M14-M132 HydrophobicContact SD-CE 3.63Å; M14-F133 HydrophobicContact CB-CE2 4.47Å; M14-F133 HydrophobicContact CB-CZ 4.3Å; M14-F133 HydrophobicContact CG-CD2 4.4Å; M14-F133 HydrophobicContact CG-CE2 3.29Å; M14-F133 HydrophobicContact CG-CZ 3.36Å; M14-F133 HydrophobicContact SD-CE2 3.84Å; M14-F133 HydrophobicContact SD-CZ 4.47Å
15L90.6Very high87.1Confident22 Ų2243.9 Ų43.912%0.11525%0.254CS..Hα-helixtrans-55.2-44.3-178178.566.8000111.3L11 L12 F19 V48 L51 F52L11-L15 WeakPolarHBondContact O-CB 3.49Å; L11-L15 PolarHBondContact O-N 3.44Å; L12-L15 PolarHBondContact O-N 3.36Å; L15-F19 WeakPolarHBondContact O-CB 3.28Å; L15-F19 PolarHBondContact O-N 3.02Å; L15-V48 HydrophobicContact CD1-CG1 3.94Å; L15-V48 WeakPolarHBondContact CD1-O 3.37Å; L15-L51 HydrophobicContact CB-CB 4.46Å; L15-L51 HydrophobicContact CD1-CB 3.79Å; L15-F52 HydrophobicContact CD1-CB 4.24Å; L15-F52 HydrophobicContact CD2-CD2 4.41Å
16V93.1Very high88.8Confident84 Ų8443 Ų4351%0.50924%0.244SC..Hα-helixtrans-66.5-42.9177.7172.30000111.7L12 V13 M14 S20L12-V16 WeakPolarHBondContact O-CG2 3.44Å; L12-V16 PolarHBondContact O-N 3Å; V13-V16 PolarHBondContact O-N 2.93Å; M14-V16 PolarHBondContact O-N 3.47Å; V16-S20 WeakPolarHBondContact O-CB 3.37Å; V16-S20 PolarHBondContact O-N 3.01Å; V16-S20 PolarHBondContact O-OG 2.95Å
17L91.7Very high89.9Confident43 Ų4345.4 Ų45.423%0.22525%0.245CC..Hα-helixtrans-66.9-49.1-179.8167.4152.6000111.9V13 M14 F19 S20 F21 V125 I128V13-L17 VanDerWaalsContact O-CB 3.32Å; V13-L17 WeakPolarHBondContact O-CB 3.48Å; V13-L17 PolarHBondContact O-N 3.36Å; M14-L17 HydrophobicContact CE-CD1 4.24Å; M14-L17 HydrophobicContact CE-CD2 4.26Å; M14-L17 PolarHBondContact O-N 3.43Å; M14-L17 VanDerWaalsContact O-N 3.08Å; M14-L17 HydrophobicContact SD-CD2 4.45Å; L17-F19 PolarHBondContact O-N 2.91Å; L17-S20 PolarHBondContact O-N 3.15Å; L17-F21 PolarHBondContact O-N 3.34Å; L17-V125 HydrophobicContact CD1-CG1 4.28Å; L17-V125 HydrophobicContact CD2-CG1 3.19Å; L17-V125 HydrophobicContact CG-CG1 3.73Å; L17-I128 HydrophobicContact CD1-CG2 4.5Å
18T91Very high91.1Very high5 Ų544.3 Ų44.33%0.03124%0.24CC..Hα-helixtrans-61.1-43.8175.2-52.50000110.6M14 S20 F21 F22 M44 D47 V48M14-T18 WeakPolarHBondContact O-CB 3.34Å; M14-T18 PolarHBondContact O-N 3.1Å; M14-T18 PolarHBondContact O-OG1 3.4Å; T18-S20 PolarHBondContact O-N 3.39Å; T18-F21 PolarHBondContact O-N 3.45Å; T18-F22 WeakPolarHBondContact O-CB 3.48Å; T18-F22 PolarHBondContact O-N 3.02Å; T18-M44 HydrophobicContact CG2-CE 3.65Å; T18-M44 HydrophobicContact CG2-SD 4.28Å; T18-D47 HydrophobicContact CG2-CB 4.36Å; T18-V48 HydrophobicContact CG2-CG2 3.76Å
19F94.5Very high92Very high92 Ų9243.3 Ų43.340%0.40423%0.233SC..Hα-helixtrans-64.8-41.2178179.6-104.2000112.9L15 L17 F21 F22 L23 V48L15-F19 WeakPolarHBondContact O-CB 3.28Å; L15-F19 PolarHBondContact O-N 3.02Å; L17-F19 PolarHBondContact O-N 2.91Å; F19-F21 VanDerWaalsContact C-N 3.3Å; F19-F21 PolarHBondContact O-N 2.97Å; F19-F22 HydrophobicContact CD2-CD1 4.01Å; F19-F22 HydrophobicContact CE2-CD1 4.13Å; F19-F22 HydrophobicContact CE2-CE1 4.25Å; F19-L23 HydrophobicContact CD1-CD1 4.42Å; F19-L23 HydrophobicContact CE1-CD1 3.86Å; F19-L23 HydrophobicContact CZ-CD1 4.13Å; F19-L23 HydrophobicContact CZ-CG 4.45Å; F19-L23 WeakPolarHBondContact O-CG 3.28Å; F19-L23 PolarHBondContact O-N 3.5Å; F19-V48 HydrophobicContact CB-CG1 4.4Å; F19-V48 HydrophobicContact CB-CG2 3.95Å; F19-V48 HydrophobicContact CD2-CG1 3.97Å; F19-V48 HydrophobicContact CD2-CG2 4.35Å
20S95.3Very high92.5Very high62 Ų6247.3 Ų47.343%0.43424%0.241SC..Hα-helixtrans-63.8-40.1177.6-57.10000111V16 L17 T18 L23 V24V16-S20 WeakPolarHBondContact O-CB 3.37Å; V16-S20 PolarHBondContact O-N 3.01Å; V16-S20 PolarHBondContact O-OG 2.95Å; L17-S20 PolarHBondContact O-N 3.15Å; T18-S20 PolarHBondContact O-N 3.39Å; S20-L23 PolarHBondContact O-N 3.2Å; S20-V24 PolarHBondContact O-N 3.29Å
21F94.4Very high93Very high10 Ų1048.9 Ų48.94%0.04426%0.255CS..Hα-helixtrans-76.6-36-179.1-165.5-108.7000113.1L17 T18 F19 L23 V24 E25 M44 V118 I121 V125L17-F21 PolarHBondContact O-N 3.34Å; T18-F21 PolarHBondContact O-N 3.45Å; F19-F21 VanDerWaalsContact C-N 3.3Å; F19-F21 PolarHBondContact O-N 2.97Å; F21-L23 PolarHBondContact O-N 3.39Å; F21-V24 HydrophobicContact CD2-CB 4.27Å; F21-V24 HydrophobicContact CE2-CB 4.44Å; F21-V24 HydrophobicContact CE2-CG1 4.29Å; F21-V24 WeakPolarHBondContact O-CA 3.46Å; F21-V24 WeakPolarHBondContact O-CB 3.31Å; F21-V24 PolarHBondContact O-N 3.27Å; F21-E25 HydrophobicContact CD1-CG 3.9Å; F21-E25 VanDerWaalsContact CE1-CD 3.42Å; F21-E25 HydrophobicContact CE1-CG 3.49Å; F21-E25 VanDerWaalsContact CE1-CG 3.49Å; F21-E25 WeakPolarHBondContact CE1-OE1 3.44Å; F21-E25 HydrophobicContact CZ-CG 3.82Å; F21-E25 PolarHBondContact O-N 3.29Å; F21-M44 HydrophobicContact CD1-CE 3.9Å; F21-V118 HydrophobicContact CE2-CG1 4.4Å; F21-V118 HydrophobicContact CZ-CG1 3.98Å; F21-V118 WeakPolarHBondContact CZ-O 3.42Å; F21-I121 HydrophobicContact CD2-CG2 4.2Å; F21-I121 HydrophobicContact CE2-CB 4.1Å; F21-I121 HydrophobicContact CE2-CG2 3.64Å; F21-I121 HydrophobicContact CZ-CG2 4.48Å; F21-V125 HydrophobicContact CB-CG1 4.36Å; F21-V125 HydrophobicContact CD2-CG2 4.36Å; F21-V125 HydrophobicContact CG-CG1 4.44Å
22F94.6Very high93.6Very high19 Ų1948.7 Ų48.78%0.08325%0.254CS..Hα-helixtrans-48.5-45.9166.7153-110.4000111.8T18 F19 V24 E25 I26 S41 M44 L45T18-F22 WeakPolarHBondContact O-CB 3.48Å; T18-F22 PolarHBondContact O-N 3.02Å; F19-F22 HydrophobicContact CD2-CD1 4.01Å; F19-F22 HydrophobicContact CE2-CD1 4.13Å; F19-F22 HydrophobicContact CE2-CE1 4.25Å; F22-V24 VanDerWaalsContact C-N 3.32Å; F22-V24 PolarHBondContact O-N 3.48Å; F22-E25 PolarHBondContact O-N 3.21Å; F22-I26 HydrophobicContact CE2-CB 4.17Å; F22-I26 HydrophobicContact CE2-CD1 3.92Å; F22-I26 HydrophobicContact CE2-CG2 4.27Å; F22-I26 HydrophobicContact CZ-CD1 4.1Å; F22-I26 HydrophobicContact CZ-CG2 4.38Å; F22-I26 WeakPolarHBondContact O-CG2 3.45Å; F22-I26 PolarHBondContact O-N 3.07Å; F22-S41 VanDerWaalsContact CD2-O 3.24Å; F22-S41 WeakPolarHBondContact CD2-O 3.4Å; F22-M44 HydrophobicContact CB-CB 4.04Å; F22-L45 HydrophobicContact CD2-CB 3.91Å; F22-L45 HydrophobicContact CE1-CD1 4.11Å; F22-L45 HydrophobicContact CE2-CB 3.76Å; F22-L45 HydrophobicContact CE2-CD1 4.2Å; F22-L45 HydrophobicContact CE2-CD2 4.34Å; F22-L45 HydrophobicContact CE2-CG 4.31Å; F22-L45 HydrophobicContact CZ-CB 4.34Å; F22-L45 HydrophobicContact CZ-CD1 3.9Å; F22-L45 HydrophobicContact CZ-CD2 4.39Å; F22-L45 HydrophobicContact CZ-CG 4.44Å
23L97.3Very high93.7Very high73 Ų7348 Ų4838%0.38225%0.251SS..Hα-helixtrans-64.3-36.7177.9-67.1176.9000112.4F19 S20 F21 I26 I27F19-L23 HydrophobicContact CD1-CD1 4.42Å; F19-L23 HydrophobicContact CE1-CD1 3.86Å; F19-L23 HydrophobicContact CZ-CD1 4.13Å; F19-L23 HydrophobicContact CZ-CG 4.45Å; F19-L23 WeakPolarHBondContact O-CG 3.28Å; F19-L23 PolarHBondContact O-N 3.5Å; S20-L23 PolarHBondContact O-N 3.2Å; F21-L23 PolarHBondContact O-N 3.39Å; L23-I26 WeakPolarHBondContact O-CG2 3.18Å; L23-I27 WeakPolarHBondContact O-CB 3.28Å; L23-I27 WeakPolarHBondContact O-CD1 3.33Å; L23-I27 WeakPolarHBondContact O-CG1 3.08Å; L23-I27 PolarHBondContact O-N 2.67Å
24V96.9Very high93.9Very high54 Ų5444.7 Ų44.733%0.32723%0.23SC..Hα-helixtrans-65.5-50176175.30000110S20 F21 F22 I27 F28 V118S20-V24 PolarHBondContact O-N 3.29Å; F21-V24 HydrophobicContact CD2-CB 4.27Å; F21-V24 HydrophobicContact CE2-CB 4.44Å; F21-V24 HydrophobicContact CE2-CG1 4.29Å; F21-V24 WeakPolarHBondContact O-CA 3.46Å; F21-V24 WeakPolarHBondContact O-CB 3.31Å; F21-V24 PolarHBondContact O-N 3.27Å; F22-V24 VanDerWaalsContact C-N 3.32Å; F22-V24 PolarHBondContact O-N 3.48Å; V24-I27 PolarHBondContact O-N 2.86Å; V24-F28 HydrophobicContact CG1-CD2 3.86Å; V24-F28 HydrophobicContact CG1-CE2 4.21Å; V24-F28 WeakPolarHBondContact O-CD2 3.36Å; V24-F28 PolarHBondContact O-N 3.29Å; V24-V118 HydrophobicContact CG1-CG1 4.22Å; V24-V118 HydrophobicContact CG1-CG2 4.31Å
25E95.3Very high94.1Very high0 Ų045.1 Ų45.10%023%0.233CC..Hα-helixtrans-63.9-43.8-178.1-67.3-170.7148.800112.9F21 F22 I27 F28 G29 L37 S41 M44 V118F21-E25 HydrophobicContact CD1-CG 3.9Å; F21-E25 VanDerWaalsContact CE1-CD 3.42Å; F21-E25 HydrophobicContact CE1-CG 3.49Å; F21-E25 VanDerWaalsContact CE1-CG 3.49Å; F21-E25 WeakPolarHBondContact CE1-OE1 3.44Å; F21-E25 HydrophobicContact CZ-CG 3.82Å; F21-E25 PolarHBondContact O-N 3.29Å; F22-E25 PolarHBondContact O-N 3.21Å; E25-I27 VanDerWaalsContact C-N 3.33Å; E25-I27 PolarHBondContact O-N 3.04Å; E25-F28 PolarHBondContact O-N 3.34Å; E25-G29 WeakPolarHBondContact O-CA 3.47Å; E25-G29 PolarHBondContact O-N 3.5Å; E25-L37 HydrophobicContact CB-CD1 4.14Å; E25-L37 HydrophobicContact CG-CD1 4.08Å; E25-S41 VanDerWaalsContact OE2-CA 3.3Å; E25-S41 WeakPolarHBondContact OE2-CA 3.49Å; E25-S41 PolarHBondContact OE2-N 3.38Å; E25-M44 WeakPolarHBondContact OE2-CG 3.31Å; E25-V118 HydrophobicContact CG-CG1 4.02Å
26I95.5Very high94.1Very high35 Ų3544.1 Ų44.118%0.17923%0.228CC..Hα-helixtrans-65-39.9180-164.5168.9000111F22 L23 Y30F22-I26 HydrophobicContact CE2-CB 4.17Å; F22-I26 HydrophobicContact CE2-CD1 3.92Å; F22-I26 HydrophobicContact CE2-CG2 4.27Å; F22-I26 HydrophobicContact CZ-CD1 4.1Å; F22-I26 HydrophobicContact CZ-CG2 4.38Å; F22-I26 WeakPolarHBondContact O-CG2 3.45Å; F22-I26 PolarHBondContact O-N 3.07Å; L23-I26 WeakPolarHBondContact O-CG2 3.18Å; I26-Y30 HydrophobicContact CD1-CE2 4.23Å; I26-Y30 HydrophobicContact CG1-CD2 3.97Å; I26-Y30 HydrophobicContact CG1-CE2 3.68Å; I26-Y30 WeakPolarHBondContact O-CD2 3.4Å; I26-Y30 PolarHBondContact O-N 2.95Å
27I96.8Very high94.1Very high100 Ų10040.1 Ų40.151%0.51320%0.204SC..Hα-helixtrans-64.5-53.3177.5-68.4167.2000110.2L23 V24 E25 G29 Y30 V31L23-I27 WeakPolarHBondContact O-CB 3.28Å; L23-I27 WeakPolarHBondContact O-CD1 3.33Å; L23-I27 WeakPolarHBondContact O-CG1 3.08Å; L23-I27 PolarHBondContact O-N 2.67Å; V24-I27 PolarHBondContact O-N 2.86Å; E25-I27 VanDerWaalsContact C-N 3.33Å; E25-I27 PolarHBondContact O-N 3.04Å; I27-G29 VanDerWaalsContact C-N 3.3Å; I27-G29 PolarHBondContact O-N 3.32Å; I27-Y30 PolarHBondContact O-N 2.77Å; I27-V31 HydrophobicContact CG2-CG2 4.35Å; I27-V31 WeakPolarHBondContact O-CB 3.41Å; I27-V31 VanDerWaalsContact O-CG2 3.24Å; I27-V31 WeakPolarHBondContact O-CG2 3.2Å; I27-V31 PolarHBondContact O-N 3.21Å
28F96.3Very high94.2Very high73 Ų7338.8 Ų38.832%0.3220%0.198SC..Hα-helixtrans-69.8-28.1-178.5-82.2-84.1000112.7V24 E25 V31 T32 L37 Q114 V118V24-F28 HydrophobicContact CG1-CD2 3.86Å; V24-F28 HydrophobicContact CG1-CE2 4.21Å; V24-F28 WeakPolarHBondContact O-CD2 3.36Å; V24-F28 PolarHBondContact O-N 3.29Å; E25-F28 PolarHBondContact O-N 3.34Å; F28-V31 PolarHBondContact O-N 2.93Å; F28-T32 VanDerWaalsContact O-CB 3.31Å; F28-T32 WeakPolarHBondContact O-CB 3.21Å; F28-T32 VanDerWaalsContact O-CG2 3.29Å; F28-T32 WeakPolarHBondContact O-CG2 3.42Å; F28-T32 PolarHBondContact O-N 2.89Å; F28-T32 PolarHBondContact O-OG1 3.2Å; F28-L37 HydrophobicContact CB-CD2 3.92Å; F28-Q114 HydrophobicContact CD1-CB 4.32Å; F28-V118 HydrophobicContact CB-CG2 3.9Å; F28-V118 HydrophobicContact CD1-CG2 4.21Å; F28-V118 HydrophobicContact CD2-CG2 3.9Å; F28-V118 HydrophobicContact CE2-CG2 4.5Å; F28-V118 HydrophobicContact CG-CG2 3.73Å
29G94.2Very high94.2Very high0 Ų038.9 Ų38.90%020%0.199CC..Hα-helixtrans-60.7-47.9173.700000111.8E25 I27 N33 S34E25-G29 WeakPolarHBondContact O-CA 3.47Å; E25-G29 PolarHBondContact O-N 3.5Å; I27-G29 VanDerWaalsContact C-N 3.3Å; I27-G29 PolarHBondContact O-N 3.32Å; G29-N33 WeakPolarHBondContact O-CA 3.48Å; G29-N33 PolarHBondContact O-N 3.43Å; G29-S34 PolarHBondContact O-N 3.43Å; G29-S34 VanDerWaalsContact O-N 3.12Å
30Y94Very high94.1Very high142 Ų14234.5 Ų34.556%0.55718%0.179SC*.Hα-helixtrans-72.1-37.4174.8-75.6-66.9000113.1I26 I27 T32 N33I26-Y30 HydrophobicContact CD1-CE2 4.23Å; I26-Y30 HydrophobicContact CG1-CD2 3.97Å; I26-Y30 HydrophobicContact CG1-CE2 3.68Å; I26-Y30 WeakPolarHBondContact O-CD2 3.4Å; I26-Y30 PolarHBondContact O-N 2.95Å; I27-Y30 PolarHBondContact O-N 2.77Å; Y30-T32 VanDerWaalsContact C-N 3.27Å; Y30-T32 PolarHBondContact O-N 3.37Å; Y30-N33 PolarHBondContact O-N 3.25Å; Y30-N33 PolarHBondContact O-OD1 2.95Å
31V95.4Very high94Very high76 Ų7631.5 Ų31.546%0.46116%0.159SC..Hα-helixtrans-64-33.8177.2168.50000111.8I27 F28I27-V31 HydrophobicContact CG2-CG2 4.35Å; I27-V31 WeakPolarHBondContact O-CB 3.41Å; I27-V31 VanDerWaalsContact O-CG2 3.24Å; I27-V31 WeakPolarHBondContact O-CG2 3.2Å; I27-V31 PolarHBondContact O-N 3.21Å; F28-V31 PolarHBondContact O-N 2.93Å
32T93.6Very high93.8Very high0 Ų033.7 Ų33.70%017%0.168CC..THydrogen-bonded Turntrans-98.1-0.4-178.361.10000113.6F28 Y30 S34 E110 Q114 I115F28-T32 VanDerWaalsContact O-CB 3.31Å; F28-T32 WeakPolarHBondContact O-CB 3.21Å; F28-T32 VanDerWaalsContact O-CG2 3.29Å; F28-T32 WeakPolarHBondContact O-CG2 3.42Å; F28-T32 PolarHBondContact O-N 2.89Å; F28-T32 PolarHBondContact O-OG1 3.2Å; Y30-T32 VanDerWaalsContact C-N 3.27Å; Y30-T32 PolarHBondContact O-N 3.37Å; T32-S34 PolarHBondContact O-N 3.29Å; T32-E110 WeakPolarHBondContact CB-O 3.21Å; T32-E110 WeakPolarHBondContact CG2-O 3.29Å; T32-E110 PolarHBondContact O-N 3.1Å; T32-Q114 HydrophobicContact CG2-CB 4.09Å; T32-I115 HydrophobicContact CG2-CD1 4.47Å; T32-I115 HydrophobicContact CG2-CG1 3.86Å
33N91.6Very high93.5Very high45 Ų4533 Ų3324%0.24117%0.166CC..THydrogen-bonded Turntrans51.625.4-173.1-64.8-48.4000114.1G29 Y30 R102 E110G29-N33 WeakPolarHBondContact O-CA 3.48Å; G29-N33 PolarHBondContact O-N 3.43Å; Y30-N33 PolarHBondContact O-N 3.25Å; Y30-N33 PolarHBondContact O-OD1 2.95Å; N33-R102 PolarHBondContact O-NH2 2.96Å; N33-E110 PolarHBondContact ND2-OE1 2.9Å
34S92.9Very high93.1Very high0 Ų029.6 Ų29.60%015%0.147CC..  trans-87.4114178.3172.60000110.8G29 T32 A36 L37 V38 I115 D255G29-S34 PolarHBondContact O-N 3.43Å; G29-S34 VanDerWaalsContact O-N 3.12Å; T32-S34 PolarHBondContact O-N 3.29Å; S34-A36 VanDerWaalsContact C-N 3.3Å; S34-A36 PolarHBondContact OG-N 3.24Å; S34-L37 PolarHBondContact O-N 3.33Å; S34-L37 PolarHBondContact OG-N 3.16Å; S34-V38 WeakPolarHBondContact O-CG2 3.41Å; S34-V38 PolarHBondContact O-N 3.41Å; S34-I115 VanDerWaalsContact CB-CD1 3.49Å; S34-D255 PolarHBondContact OG-OD1 3.28Å
35T90.8Very high92.9Very high12 Ų1229 Ų297%0.07414%0.142CC..Hα-helixtrans-71.5-27.317566.60000112.9V38 A39 R102 D255 S259T35-V38 PolarHBondContact O-N 2.85Å; T35-A39 WeakPolarHBondContact O-CB 3.31Å; T35-A39 PolarHBondContact O-N 3.06Å; T35-R102 HydrophobicContact CG2-CB 4.01Å; T35-R102 HydrophobicContact CG2-CG 3.42Å; T35-R102 VanDerWaalsContact CG2-CG 3.42Å; T35-D255 WeakPolarHBondContact CA-OD2 3.34Å; T35-D255 WeakPolarHBondContact CB-OD2 3.48Å; T35-D255 PolarHBondContact N-OD2 3.29Å; T35-D255 PolarHBondContact OG1-OD2 2.98Å; T35-S259 PolarHBondContact O-OG 3.46Å; T35-S259 PolarHBondContact OG1-OG 3.45Å; T35-S259 VanDerWaalsContact OG1-OG 3.09Å
36A91.8Very high92.5Very high1 Ų129.1 Ų29.11%0.00814%0.143CC..Hα-helixtrans-64.2-44.4174.200000110.7S34 A39 D40 D255 S259S34-A36 VanDerWaalsContact C-N 3.3Å; S34-A36 PolarHBondContact OG-N 3.24Å; A36-A39 PolarHBondContact O-N 3.32Å; A36-D40 PolarHBondContact O-N 2.92Å; A36-D255 VanDerWaalsContact CB-OD1 3.3Å; A36-D255 WeakPolarHBondContact CB-OD1 3.35Å; A36-D255 PolarHBondContact N-OD1 3.5Å; A36-D255 PolarHBondContact N-OD2 3.49Å; A36-S259 WeakPolarHBondContact CA-OG 3.36Å; A36-S259 PolarHBondContact N-OG 2.86Å
37L93.4Very high92.1Very high0 Ų027.6 Ų27.60%014%0.135CC..Hα-helixtrans-70.5-36.8177.6-173.360000112.1E25 F28 S34 D40 S41 I115 V118 V235E25-L37 HydrophobicContact CB-CD1 4.14Å; E25-L37 HydrophobicContact CG-CD1 4.08Å; F28-L37 HydrophobicContact CB-CD2 3.92Å; S34-L37 PolarHBondContact O-N 3.33Å; S34-L37 PolarHBondContact OG-N 3.16Å; L37-D40 PolarHBondContact O-N 3.41Å; L37-S41 PolarHBondContact O-N 3.48Å; L37-I115 HydrophobicContact CD2-CG1 4.4Å; L37-I115 HydrophobicContact CD2-CG2 4.43Å; L37-V118 HydrophobicContact CD1-CG1 3.89Å; L37-V118 HydrophobicContact CD2-CG1 4.34Å; L37-V235 HydrophobicContact CD1-CG1 4.02Å
38V93Very high91.9Very high16 Ų1623.5 Ų23.510%0.09712%0.115CC..Hα-helixtrans-64.9-41.7172.4171.80000111.3S34 T35 S41 F42S34-V38 WeakPolarHBondContact O-CG2 3.41Å; S34-V38 PolarHBondContact O-N 3.41Å; T35-V38 PolarHBondContact O-N 2.85Å; V38-S41 PolarHBondContact O-N 3.14Å; V38-S41 PolarHBondContact O-OG 2.92Å; V38-F42 HydrophobicContact CG1-CD2 3.73Å; V38-F42 HydrophobicContact CG1-CE2 3.52Å; V38-F42 VanDerWaalsContact O-CD2 3.26Å; V38-F42 WeakPolarHBondContact O-CD2 3.29Å; V38-F42 PolarHBondContact O-N 2.85Å
39A91.1Very high91.6Very high6 Ų622.7 Ų22.75%0.0511%0.113CC..Hα-helixtrans-61.3-44.917600000111.9T35 A36 S41 F42 H43 I95 L262T35-A39 WeakPolarHBondContact O-CB 3.31Å; T35-A39 PolarHBondContact O-N 3.06Å; A36-A39 PolarHBondContact O-N 3.32Å; A39-S41 VanDerWaalsContact C-N 3.31Å; A39-S41 PolarHBondContact O-N 3.32Å; A39-F42 PolarHBondContact O-N 2.84Å; A39-H43 PolarHBondContact O-N 2.91Å; A39-I95 HydrophobicContact CB-CG2 3.55Å; A39-L262 HydrophobicContact CB-CD2 4.18Å
40D91.4Very high91.2Very high0 Ų023 Ų230%012%0.116CC..Hα-helixtrans-59.4-43.1174-149.423.5000110.5A36 L37 F42 H43 M44 G231 S232 V235 L262A36-D40 PolarHBondContact O-N 2.92Å; L37-D40 PolarHBondContact O-N 3.41Å; D40-F42 PolarHBondContact O-N 3.22Å; D40-H43 WeakPolarHBondContact O-CA 3.19Å; D40-H43 VanDerWaalsContact O-CB 3.3Å; D40-H43 WeakPolarHBondContact O-CB 3.48Å; D40-H43 PolarHBondContact O-N 3.39Å; D40-M44 WeakPolarHBondContact O-CG 3.31Å; D40-M44 PolarHBondContact O-N 2.87Å; D40-G231 WeakPolarHBondContact OD1-CA 3.49Å; D40-S232 PolarHBondContact OD2-N 2.98Å; D40-V235 HydrophobicContact CB-CG2 4.03Å; D40-L262 HydrophobicContact CB-CD2 4.16Å
41S93.1Very high90.8Very high0 Ų016.8 Ų16.80%09%0.092CC..Hα-helixtrans-62.1-37.9177830000113.7F22 E25 L37 V38 A39 H43 M44 L45F22-S41 VanDerWaalsContact CD2-O 3.24Å; F22-S41 WeakPolarHBondContact CD2-O 3.4Å; E25-S41 VanDerWaalsContact OE2-CA 3.3Å; E25-S41 WeakPolarHBondContact OE2-CA 3.49Å; E25-S41 PolarHBondContact OE2-N 3.38Å; L37-S41 PolarHBondContact O-N 3.48Å; V38-S41 PolarHBondContact O-N 3.14Å; V38-S41 PolarHBondContact O-OG 2.92Å; A39-S41 VanDerWaalsContact C-N 3.31Å; A39-S41 PolarHBondContact O-N 3.32Å; S41-H43 VanDerWaalsContact C-N 3.34Å; S41-M44 PolarHBondContact O-N 2.89Å; S41-L45 PolarHBondContact O-N 2.94Å
42F91Very high90.6Very high56 Ų5618.4 Ų18.425%0.2469%0.094CC..Hα-helixtrans-71.2-30.9175.3-81.5-66.3000112.2V38 A39 D40 L45 S46 L91 I95V38-F42 HydrophobicContact CG1-CD2 3.73Å; V38-F42 HydrophobicContact CG1-CE2 3.52Å; V38-F42 VanDerWaalsContact O-CD2 3.26Å; V38-F42 WeakPolarHBondContact O-CD2 3.29Å; V38-F42 PolarHBondContact O-N 2.85Å; A39-F42 PolarHBondContact O-N 2.84Å; D40-F42 PolarHBondContact O-N 3.22Å; F42-L45 HydrophobicContact CD1-CD2 4.18Å; F42-L45 PolarHBondContact O-N 2.63Å; F42-S46 PolarHBondContact O-N 3.43Å; F42-S46 VanDerWaalsContact O-N 3.07Å; F42-L91 HydrophobicContact CD1-CD2 4.42Å; F42-I95 HydrophobicContact CB-CD1 3.81Å; F42-I95 HydrophobicContact CB-CG1 3.74Å
43H88.3Confident90.3Very high5 Ų519.6 Ų19.62%0.02310%0.1CC..Hα-helixtrans-64.3-49.2169.3-176.5-103.3000110.8A39 D40 S41 L45 S46 D47 D228 I266A39-H43 PolarHBondContact O-N 2.91Å; D40-H43 WeakPolarHBondContact O-CA 3.19Å; D40-H43 VanDerWaalsContact O-CB 3.3Å; D40-H43 WeakPolarHBondContact O-CB 3.48Å; D40-H43 PolarHBondContact O-N 3.39Å; S41-H43 VanDerWaalsContact C-N 3.34Å; H43-L45 VanDerWaalsContact C-N 3.25Å; H43-L45 PolarHBondContact O-N 3.46Å; H43-S46 WeakPolarHBondContact O-CA 3.46Å; H43-S46 WeakPolarHBondContact O-CB 3.24Å; H43-S46 PolarHBondContact O-N 3.41Å; H43-D47 IonicContact CE1-OD2 3.59Å; H43-D47 PolarHBondContact O-N 3.47Å; H43-D228 IonicContact CE1-OD1 3.32Å; H43-D228 PolarHBondContact CE1-OD1 2.98Å; H43-D228 IonicContact CG-OD1 3.64Å; H43-D228 IonicContact ND1-OD1 2.75Å; H43-D228 PolarHBondContact ND1-OD1 2.67Å; H43-I266 HydrophobicContact CB-CD1 3.88Å; H43-I266 WeakPolarHBondContact CD2-CD1 3.26Å
44M90Very high89.9Confident0 Ų018 Ų180%09%0.093CC..Hα-helixtrans-57.6-37.4175.1-67.2-60.6-85.400112.3T18 F21 F22 E25 D40 S41 S46 D47 V48 D228T18-M44 HydrophobicContact CG2-CE 3.65Å; T18-M44 HydrophobicContact CG2-SD 4.28Å; F21-M44 HydrophobicContact CD1-CE 3.9Å; F22-M44 HydrophobicContact CB-CB 4.04Å; E25-M44 WeakPolarHBondContact OE2-CG 3.31Å; D40-M44 WeakPolarHBondContact O-CG 3.31Å; D40-M44 PolarHBondContact O-N 2.87Å; S41-M44 PolarHBondContact O-N 2.89Å; M44-S46 VanDerWaalsContact C-N 3.35Å; M44-D47 PolarHBondContact O-N 3.36Å; M44-V48 WeakPolarHBondContact O-CG2 3.27Å; M44-V48 PolarHBondContact O-N 3.34Å; M44-D228 HydrophobicContact SD-CB 3.92Å
45L91.7Very high89.6Confident42 Ų4219.8 Ų19.822%0.2210%0.101CC..Hα-helixtrans-62.2-42.5172.7178.961.2000111.8F22 S41 F42 H43 D47 V48 L49F22-L45 HydrophobicContact CD2-CB 3.91Å; F22-L45 HydrophobicContact CE1-CD1 4.11Å; F22-L45 HydrophobicContact CE2-CB 3.76Å; F22-L45 HydrophobicContact CE2-CD1 4.2Å; F22-L45 HydrophobicContact CE2-CD2 4.34Å; F22-L45 HydrophobicContact CE2-CG 4.31Å; F22-L45 HydrophobicContact CZ-CB 4.34Å; F22-L45 HydrophobicContact CZ-CD1 3.9Å; F22-L45 HydrophobicContact CZ-CD2 4.39Å; F22-L45 HydrophobicContact CZ-CG 4.44Å; S41-L45 PolarHBondContact O-N 2.94Å; F42-L45 HydrophobicContact CD1-CD2 4.18Å; F42-L45 PolarHBondContact O-N 2.63Å; H43-L45 VanDerWaalsContact C-N 3.25Å; H43-L45 PolarHBondContact O-N 3.46Å; L45-D47 PolarHBondContact O-N 2.93Å; L45-V48 WeakPolarHBondContact O-CB 3.37Å; L45-V48 PolarHBondContact O-N 2.97Å; L45-L49 WeakPolarHBondContact O-CG 3.4Å; L45-L49 PolarHBondContact O-N 3.24Å
46S87.2Confident89.5Confident2 Ų221.5 Ų21.51%0.01411%0.111CC..Hα-helixtrans-59.3-40.6175.3-164.50000111.5F42 H43 M44 L49 A50 L88 L91F42-S46 PolarHBondContact O-N 3.43Å; F42-S46 VanDerWaalsContact O-N 3.07Å; H43-S46 WeakPolarHBondContact O-CA 3.46Å; H43-S46 WeakPolarHBondContact O-CB 3.24Å; H43-S46 PolarHBondContact O-N 3.41Å; M44-S46 VanDerWaalsContact C-N 3.35Å; S46-L49 PolarHBondContact O-N 3Å; S46-A50 WeakPolarHBondContact O-CB 3.42Å; S46-A50 PolarHBondContact O-N 3.01Å; S46-L88 WeakPolarHBondContact OG-CA 3.48Å; S46-L88 WeakPolarHBondContact OG-CD2 3.4Å; S46-L88 WeakPolarHBondContact OG-CG 3.21Å; S46-L91 VanDerWaalsContact CA-CD1 3.45Å; S46-L91 VanDerWaalsContact CB-CD1 3.41Å
47D87.7Confident89.1Confident4 Ų422.1 Ų22.12%0.02112%0.115CC..Hα-helixtrans-71.5-35.6179.7-77.66.5000112.3T18 H43 M44 L45 L49 A50 L51 H224 D228T18-D47 HydrophobicContact CG2-CB 4.36Å; H43-D47 IonicContact CE1-OD2 3.59Å; H43-D47 PolarHBondContact O-N 3.47Å; M44-D47 PolarHBondContact O-N 3.36Å; L45-D47 PolarHBondContact O-N 2.93Å; D47-L49 VanDerWaalsContact C-N 3.35Å; D47-L49 PolarHBondContact O-N 3.38Å; D47-A50 WeakPolarHBondContact O-CB 3.46Å; D47-A50 PolarHBondContact O-N 2.96Å; D47-L51 WeakPolarHBondContact O-CB 3.48Å; D47-L51 VanDerWaalsContact O-CG 3.27Å; D47-L51 WeakPolarHBondContact O-CG 3.28Å; D47-L51 PolarHBondContact O-N 3.47Å; D47-H224 IonicContact OD1-CE1 2.7Å; D47-H224 IonicContact OD1-CG 2.74Å; D47-H224 IonicContact OD1-ND1 4Å; D47-H224 PolarHBondContact OD1-ND1 2.86Å; D47-H224 WeakPolarHBondContact OD2-CB 3.31Å; D47-H224 IonicContact OD2-CG 2.9Å; D47-H224 IonicContact OD2-ND1 3.59Å; D47-D228 VanDerWaalsContact OD2-OD1 3.07Å; D47-D228 VanDerWaalsContact OD2-OD2 3.12Å
48V91.3Very high88.4Confident14 Ų1424 Ų249%0.08513%0.125CC..Hα-helixtrans-58.5-47.4168.2169.20000110.8L15 T18 F19 M44 L45 A50 L51 F52L15-V48 HydrophobicContact CD1-CG1 3.94Å; L15-V48 WeakPolarHBondContact CD1-O 3.37Å; T18-V48 HydrophobicContact CG2-CG2 3.76Å; F19-V48 HydrophobicContact CB-CG1 4.4Å; F19-V48 HydrophobicContact CB-CG2 3.95Å; F19-V48 HydrophobicContact CD2-CG1 3.97Å; F19-V48 HydrophobicContact CD2-CG2 4.35Å; M44-V48 WeakPolarHBondContact O-CG2 3.27Å; M44-V48 PolarHBondContact O-N 3.34Å; L45-V48 WeakPolarHBondContact O-CB 3.37Å; L45-V48 PolarHBondContact O-N 2.97Å; V48-A50 VanDerWaalsContact C-N 3.34Å; V48-A50 PolarHBondContact O-N 3.26Å; V48-L51 PolarHBondContact O-N 2.88Å; V48-F52 VanDerWaalsContact O-CB 3.23Å; V48-F52 WeakPolarHBondContact O-CB 3.43Å; V48-F52 PolarHBondContact O-N 3.31Å
49L90.4Very high87.9Confident55 Ų5530.4 Ų30.429%0.28815%0.151SC..Hα-helixtrans-63.2-42.2178.6-68.4175000111L45 S46 D47 F52 I53 L91L45-L49 WeakPolarHBondContact O-CG 3.4Å; L45-L49 PolarHBondContact O-N 3.24Å; S46-L49 PolarHBondContact O-N 3Å; D47-L49 VanDerWaalsContact C-N 3.35Å; D47-L49 PolarHBondContact O-N 3.38Å; L49-F52 PolarHBondContact O-N 3.06Å; L49-I53 WeakPolarHBondContact O-CB 3.5Å; L49-I53 WeakPolarHBondContact O-CD1 3.47Å; L49-I53 VanDerWaalsContact O-CG1 3.23Å; L49-I53 WeakPolarHBondContact O-CG1 3.46Å; L49-I53 PolarHBondContact O-N 2.92Å; L49-L91 HydrophobicContact CD1-CD1 4.13Å
50A85.2Confident87.5Confident7 Ų734.3 Ų34.36%0.05817%0.167CC..Hα-helixtrans-59.2-50.6175.900000112.1S46 D47 V48 F52 I53 A54 N84S46-A50 WeakPolarHBondContact O-CB 3.42Å; S46-A50 PolarHBondContact O-N 3.01Å; D47-A50 WeakPolarHBondContact O-CB 3.46Å; D47-A50 PolarHBondContact O-N 2.96Å; V48-A50 VanDerWaalsContact C-N 3.34Å; V48-A50 PolarHBondContact O-N 3.26Å; A50-F52 VanDerWaalsContact C-N 3.34Å; A50-F52 PolarHBondContact O-N 3.05Å; A50-I53 PolarHBondContact O-N 2.95Å; A50-A54 VanDerWaalsContact O-CB 3.31Å; A50-A54 WeakPolarHBondContact O-CB 3.4Å; A50-A54 PolarHBondContact O-N 3.42Å; A50-N84 WeakPolarHBondContact CA-OD1 3.01Å; A50-N84 WeakPolarHBondContact CB-OD1 3.24Å
51L86.8Confident86.7Confident11 Ų1135.8 Ų35.86%0.05818%0.177CC..Hα-helixtrans-63.9-39.5178.1-73.4173.4000111.7L11 M14 L15 D47 V48 A54 F55 V221L11-L51 HydrophobicContact CD1-CD2 3.81Å; L11-L51 HydrophobicContact CG-CD2 4.15Å; M14-L51 HydrophobicContact CB-CD1 4.14Å; L15-L51 HydrophobicContact CB-CB 4.46Å; L15-L51 HydrophobicContact CD1-CB 3.79Å; D47-L51 WeakPolarHBondContact O-CB 3.48Å; D47-L51 VanDerWaalsContact O-CG 3.27Å; D47-L51 WeakPolarHBondContact O-CG 3.28Å; D47-L51 PolarHBondContact O-N 3.47Å; V48-L51 PolarHBondContact O-N 2.88Å; L51-A54 PolarHBondContact O-N 2.66Å; L51-F55 WeakPolarHBondContact O-CB 3.48Å; L51-F55 PolarHBondContact O-N 3.12Å; L51-V221 HydrophobicContact CD2-CB 4.48Å; L51-V221 HydrophobicContact CD2-CG1 3.84Å; L51-V221 HydrophobicContact CD2-CG2 3.74Å
52F90Very high85.8Confident111 Ų11144.8 Ų44.849%0.48721%0.211SC..Hα-helixtrans-64.3-48.1176.8179.3-103000111.6L15 V48 L49 A50 A54 F55 V56L15-F52 HydrophobicContact CD1-CB 4.24Å; L15-F52 HydrophobicContact CD2-CD2 4.41Å; V48-F52 VanDerWaalsContact O-CB 3.23Å; V48-F52 WeakPolarHBondContact O-CB 3.43Å; V48-F52 PolarHBondContact O-N 3.31Å; L49-F52 PolarHBondContact O-N 3.06Å; A50-F52 VanDerWaalsContact C-N 3.34Å; A50-F52 PolarHBondContact O-N 3.05Å; F52-A54 VanDerWaalsContact C-N 3.33Å; F52-A54 PolarHBondContact O-N 2.94Å; F52-F55 WeakPolarHBondContact O-CB 3.3Å; F52-F55 PolarHBondContact O-N 3.17Å; F52-V56 HydrophobicContact CD1-CG2 4.49Å; F52-V56 HydrophobicContact CE1-CG2 4.11Å; F52-V56 HydrophobicContact CE2-CG2 4.27Å; F52-V56 HydrophobicContact CZ-CG2 3.99Å; F52-V56 WeakPolarHBondContact O-CG2 3.48Å; F52-V56 PolarHBondContact O-N 3.17Å
53I88.7Confident85.2Confident25 Ų2549.9 Ų49.913%0.12823%0.229CC..Hα-helixtrans-60.2-45.8175.6-67.8160.6000110L49 A50 F55 V56 C57 G80 V83 N84 F87L49-I53 WeakPolarHBondContact O-CB 3.5Å; L49-I53 WeakPolarHBondContact O-CD1 3.47Å; L49-I53 VanDerWaalsContact O-CG1 3.23Å; L49-I53 WeakPolarHBondContact O-CG1 3.46Å; L49-I53 PolarHBondContact O-N 2.92Å; A50-I53 PolarHBondContact O-N 2.95Å; I53-F55 VanDerWaalsContact C-N 3.33Å; I53-F55 PolarHBondContact O-N 3.09Å; I53-V56 PolarHBondContact O-N 3Å; I53-C57 WeakPolarHBondContact O-CB 3.38Å; I53-C57 PolarHBondContact O-N 3.24Å; I53-C57 PolarHBondContact O-SG 3.2Å; I53-G80 WeakPolarHBondContact CG2-O 3.49Å; I53-V83 HydrophobicContact CD1-CG1 3.86Å; I53-N84 HydrophobicContact CD1-CB 4.47Å; I53-F87 HydrophobicContact CD1-CD2 3.78Å; I53-F87 HydrophobicContact CD1-CE2 4.08Å
54A82.9Confident84.6Confident12 Ų1254.1 Ų54.110%0.09926%0.259CS..Hα-helixtrans-60.2-41.117700000112.4A50 L51 F52 C57 M58A50-A54 VanDerWaalsContact O-CB 3.31Å; A50-A54 WeakPolarHBondContact O-CB 3.4Å; A50-A54 PolarHBondContact O-N 3.42Å; L51-A54 PolarHBondContact O-N 2.66Å; F52-A54 VanDerWaalsContact C-N 3.33Å; F52-A54 PolarHBondContact O-N 2.94Å; A54-C57 PolarHBondContact O-N 3.42Å; A54-M58 WeakPolarHBondContact O-CB 3.43Å; A54-M58 WeakPolarHBondContact O-CG 3.31Å; A54-M58 PolarHBondContact O-N 2.73Å
55F86Confident84.2Confident37 Ų3758.5 Ų58.516%0.16229%0.287CS..Hα-helixtrans-60.9-48.3175.8-176.7-105000111.8F4 L11 L51 F52 I53 M58 K59F4-F55 HydrophobicContact CE1-CE2 4.04Å; F4-F55 AromaticContact CE1-CZ 3.94Å; F4-F55 HydrophobicContact CE1-CZ 3.94Å; L11-F55 HydrophobicContact CD2-CB 3.45Å; L11-F55 VanDerWaalsContact CD2-CB 3.45Å; L11-F55 HydrophobicContact CD2-CD2 3.81Å; L11-F55 HydrophobicContact CD2-CG 4.12Å; L51-F55 WeakPolarHBondContact O-CB 3.48Å; L51-F55 PolarHBondContact O-N 3.12Å; F52-F55 WeakPolarHBondContact O-CB 3.3Å; F52-F55 PolarHBondContact O-N 3.17Å; I53-F55 VanDerWaalsContact C-N 3.33Å; I53-F55 PolarHBondContact O-N 3.09Å; F55-M58 PolarHBondContact O-N 2.55Å; F55-K59 WeakPolarHBondContact O-CB 3.32Å; F55-K59 PolarHBondContact O-N 3.39Å
56V87.7Confident83.9Confident48 Ų4859.6 Ų59.629%0.29130%0.299SS..Hα-helixtrans-62.1-49.5178.4172.30000110F52 I53 M58 K59 F60F52-V56 HydrophobicContact CD1-CG2 4.49Å; F52-V56 HydrophobicContact CE1-CG2 4.11Å; F52-V56 HydrophobicContact CE2-CG2 4.27Å; F52-V56 HydrophobicContact CZ-CG2 3.99Å; F52-V56 WeakPolarHBondContact O-CG2 3.48Å; F52-V56 PolarHBondContact O-N 3.17Å; I53-V56 PolarHBondContact O-N 3Å; V56-M58 PolarHBondContact O-N 3.29Å; V56-K59 WeakPolarHBondContact O-CB 3.36Å; V56-K59 PolarHBondContact O-N 3.41Å; V56-K59 VanDerWaalsContact O-N 3.1Å; V56-F60 HydrophobicContact CG1-CD2 3.6Å; V56-F60 HydrophobicContact CG1-CE2 3.71Å; V56-F60 WeakPolarHBondContact O-CD2 3.33Å; V56-F60 PolarHBondContact O-N 2.94Å
57C84.7Confident83.6Confident14 Ų1465 Ų6510%0.09534%0.336CS..Hα-helixtrans-61.1-42178.7-70.30000112.6I53 A54 K59 F60 S61 A76 G80I53-C57 WeakPolarHBondContact O-CB 3.38Å; I53-C57 PolarHBondContact O-N 3.24Å; I53-C57 PolarHBondContact O-SG 3.2Å; A54-C57 PolarHBondContact O-N 3.42Å; C57-K59 VanDerWaalsContact C-N 3.3Å; C57-K59 PolarHBondContact O-N 2.97Å; C57-F60 PolarHBondContact O-N 3.39Å; C57-S61 WeakPolarHBondContact O-CB 3Å; C57-S61 PolarHBondContact O-N 3.33Å; C57-A76 PolarHBondContact SG-O 3.4Å; C57-G80 VanDerWaalsContact SG-CA 3.59Å
58M79.1Confident83.6Confident40 Ų4073.8 Ų73.820%0.19737%0.374CS..Hα-helixtrans-61.2-39.5174.1-80.5-164.6-6800112.1L11 A54 F55 V56 R62L11-M58 HydrophobicContact CB-CE 4.09Å; L11-M58 HydrophobicContact CD1-CE 3.86Å; L11-M58 HydrophobicContact CD2-CE 3.46Å; L11-M58 VanDerWaalsContact CD2-CE 3.46Å; L11-M58 HydrophobicContact CG-CE 3.99Å; A54-M58 WeakPolarHBondContact O-CB 3.43Å; A54-M58 WeakPolarHBondContact O-CG 3.31Å; A54-M58 PolarHBondContact O-N 2.73Å; F55-M58 PolarHBondContact O-N 2.55Å; V56-M58 PolarHBondContact O-N 3.29Å; M58-R62 VanDerWaalsContact O-CG 3.26Å; M58-R62 WeakPolarHBondContact O-CG 3.39Å; M58-R62 PolarHBondContact O-N 2.68Å
59K82.3Confident83.3Confident150 Ų15075.9 Ų75.965%0.65239%0.385SS*.Hα-helixtrans-68.3-40.6177.9-171.2172.6-178.6160.70112F55 V56 C57F55-K59 WeakPolarHBondContact O-CB 3.32Å; F55-K59 PolarHBondContact O-N 3.39Å; V56-K59 WeakPolarHBondContact O-CB 3.36Å; V56-K59 PolarHBondContact O-N 3.41Å; V56-K59 VanDerWaalsContact O-N 3.1Å; C57-K59 VanDerWaalsContact C-N 3.3Å; C57-K59 PolarHBondContact O-N 2.97Å
60F81.5Confident83.1Confident88 Ų8878.2 Ų78.239%0.38640%0.402SS..Hα-helixtrans-71.9-42.1177.3-87.6-82000112.8V56 C57 R62 R63 W73V56-F60 HydrophobicContact CG1-CD2 3.6Å; V56-F60 HydrophobicContact CG1-CE2 3.71Å; V56-F60 WeakPolarHBondContact O-CD2 3.33Å; V56-F60 PolarHBondContact O-N 2.94Å; C57-F60 PolarHBondContact O-N 3.39Å; F60-R62 VanDerWaalsContact C-N 3.26Å; F60-R62 PolarHBondContact O-N 3.49Å; F60-R63 WeakPolarHBondContact O-CB 3.15Å; F60-R63 PolarHBondContact O-N 3.12Å; F60-W73 HydrophobicContact CD1-CD2 4.42Å; F60-W73 HydrophobicContact CD1-CE3 4.41Å; F60-W73 WeakPolarHBondContact O-CB 3.3Å
61S75.6Confident83.1Confident31 Ų3184.1 Ų84.122%0.21743%0.427CS..Hα-helixtrans-61.5-33.2-179.1-176.50000112.5C57 R63C57-S61 WeakPolarHBondContact O-CB 3Å; C57-S61 PolarHBondContact O-N 3.33Å; S61-R63 PolarHBondContact O-N 2.91Å
62R73.3Confident83Confident189 Ų18984.4 Ų84.471%0.71343%0.432SS*.THydrogen-bonded Turntrans-71.8-4.7175.7-68.7175.174.295.63.8114.5M58 F60 S64M58-R62 VanDerWaalsContact O-CG 3.26Å; M58-R62 WeakPolarHBondContact O-CG 3.39Å; M58-R62 PolarHBondContact O-N 2.68Å; F60-R62 VanDerWaalsContact C-N 3.26Å; F60-R62 PolarHBondContact O-N 3.49Å; R62-S64 PolarHBondContact O-N 3.03Å
63R78.9Confident82.8Confident163 Ų16383.4 Ų83.462%0.61543%0.425SS*.SBendtrans-76.6124.9179.4-168.9173.1-176.6159.22.4109.5F60 S61F60-R63 WeakPolarHBondContact O-CB 3.15Å; F60-R63 PolarHBondContact O-N 3.12Å; S61-R63 PolarHBondContact O-N 2.91Å
64S75.3Confident82.5Confident94 Ų9483.2 Ų83.266%0.65742%0.424SS*.PPolyproline II helixtrans-54148.1179.4-54.60000112R62R62-S64 PolarHBondContact O-N 3.03Å
65P80.9Confident82.6Confident91 Ų9187.3 Ų87.359%0.59144%0.437SS*.PPolyproline II helixtrans-49.9143.8171.6-26.334.7000111.8
66S85.4Confident82.6Confident66 Ų6686.4 Ų86.446%0.46244%0.437SS..BIsolated β-bridgetrans-122.2163.9178-177.80000108.7K68 N69 T70S66-K68 PolarHBondContact O-N 2.61Å; S66-K68 VanDerWaalsContact O-N 3.12Å; S66-N69 PolarHBondContact N-O 3.08Å; S66-N69 VanDerWaalsContact N-O 3.16Å; S66-N69 CarbonylContact O-C 3.57Å; S66-N69 PolarHBondContact O-N 3.03Å; S66-T70 PolarHBondContact O-N 3.14Å
67S82.5Confident82.3Confident115 Ų11585.1 Ų85.180%0.80443%0.427SS*.THydrogen-bonded Turntrans-60.4-26.3178.581.10000112.9
68K86.7Confident82.2Confident188 Ų18884.9 Ų84.982%0.81743%0.426SS*.THydrogen-bonded Turntrans-77-32.2173.9-66.1-172.2177.8-174.30113.1S66S66-K68 PolarHBondContact O-N 2.61Å; S66-K68 VanDerWaalsContact O-N 3.12Å
69N86.1Confident82.6Confident59 Ų5987.3 Ų87.332%0.31644%0.439SS..BIsolated β-bridgetrans-126.683.4-175.6-64-21.4000108.6S66 F71 G72 W73S66-N69 PolarHBondContact N-O 3.08Å; S66-N69 VanDerWaalsContact N-O 3.16Å; S66-N69 CarbonylContact O-C 3.57Å; S66-N69 PolarHBondContact O-N 3.03Å; N69-F71 VanDerWaalsContact C-N 3.32Å; N69-F71 PolarHBondContact O-N 3.19Å; N69-G72 WeakPolarHBondContact O-CA 3.24Å; N69-G72 PolarHBondContact O-N 3.07Å; N69-W73 VanDerWaalsContact ND2-CE2 3.35Å; N69-W73 VanDerWaalsContact ND2-CZ2 3.26Å; N69-W73 WeakPolarHBondContact ND2-CZ2 3.39Å
70T86.4Confident82.7Confident104 Ų10480.5 Ų80.564%0.63841%0.412SS*.THydrogen-bonded Turntrans-65.1-33.3-173.750.70000113.1S66 G72S66-T70 PolarHBondContact O-N 3.14Å; T70-G72 VanDerWaalsContact C-N 3.3Å
71F83.6Confident82.7Confident131 Ų13177.6 Ų77.658%0.57540%0.404SS*.THydrogen-bonded Turntrans-874.9171.1-67.9-74.6000113.5N69 L334 I340N69-F71 VanDerWaalsContact C-N 3.32Å; N69-F71 PolarHBondContact O-N 3.19Å; F71-L334 HydrophobicContact CB-CD2 4.4Å; F71-L334 HydrophobicContact CD1-CD2 3.79Å; F71-L334 HydrophobicContact CE1-CD2 4.38Å; F71-L334 HydrophobicContact CG-CD2 4.25Å; F71-I340 HydrophobicContact CE1-CD1 3.86Å; F71-I340 HydrophobicContact CZ-CD1 4.24Å
72G85.9Confident83.1Confident17 Ų1777.7 Ų77.718%0.17540%0.402CS..THydrogen-bonded Turntrans66.6-149.6-174.800000113.2N69 T70N69-G72 WeakPolarHBondContact O-CA 3.24Å; N69-G72 PolarHBondContact O-N 3.07Å; T70-G72 VanDerWaalsContact C-N 3.3Å
73W85.2Confident83.8Confident90 Ų9071.2 Ų71.234%0.34138%0.383SS..THydrogen-bonded Turntrans-104.322.6-175.1-68.688.2000113.2F60 N69 R75 A76F60-W73 HydrophobicContact CD1-CD2 4.42Å; F60-W73 HydrophobicContact CD1-CE3 4.41Å; F60-W73 WeakPolarHBondContact O-CB 3.3Å; N69-W73 VanDerWaalsContact ND2-CE2 3.35Å; N69-W73 VanDerWaalsContact ND2-CZ2 3.26Å; N69-W73 WeakPolarHBondContact ND2-CZ2 3.39Å; W73-R75 VanDerWaalsContact C-N 3.26Å; W73-R75 PolarHBondContact O-N 3.48Å; W73-A76 HydrophobicContact CB-CB 4.5Å; W73-A76 WeakPolarHBondContact O-CB 3.21Å; W73-A76 PolarHBondContact O-N 3.32Å
74I82.6Confident84Confident21 Ų2164.8 Ų64.811%0.10836%0.361CS..THydrogen-bonded Turntrans-61.4-33.4-172.7-162.3-179.6000113.4A76 E77 L334 A335 K338I74-A76 PolarHBondContact O-N 2.98Å; I74-E77 PolarHBondContact O-N 3.22Å; I74-L334 HydrophobicContact CG2-CD1 4.49Å; I74-L334 HydrophobicContact CG2-CD2 3.94Å; I74-L334 HydrophobicContact CG2-CG 4.01Å; I74-A335 HydrophobicContact CB-CB 4.49Å; I74-A335 HydrophobicContact CD1-CB 3.83Å; I74-A335 HydrophobicContact CG1-CB 3.65Å; I74-A335 HydrophobicContact CG2-CB 4.39Å; I74-K338 HydrophobicContact CD1-CD 3.38Å; I74-K338 HydrophobicContact CD1-CG 4.21Å
75R86.1Confident84.3Confident97 Ų9760.7 Ų60.737%0.36633%0.333SS..Hα-helixtrans-68.6-17.5175.8-69.9-176174.4178.8-1.8113.6W73 E77 V78 L79 L334W73-R75 VanDerWaalsContact C-N 3.26Å; W73-R75 PolarHBondContact O-N 3.48Å; R75-E77 PolarHBondContact O-N 3.05Å; R75-V78 PolarHBondContact O-N 2.73Å; R75-L79 PolarHBondContact O-N 3.39Å; R75-L334 HydrophobicContact CG-CD1 4.26Å
76A85.4Confident84.5Confident19 Ų1959.9 Ų59.916%0.15733%0.326CS..Hα-helixtrans-63-27.1177.200000111.9C57 W73 I74 G80C57-A76 PolarHBondContact SG-O 3.4Å; W73-A76 HydrophobicContact CB-CB 4.5Å; W73-A76 WeakPolarHBondContact O-CB 3.21Å; W73-A76 PolarHBondContact O-N 3.32Å; I74-A76 PolarHBondContact O-N 2.98Å; A76-G80 PolarHBondContact O-N 2.8Å
77E81Confident84.5Confident20 Ų2061.2 Ų61.29%0.09332%0.324CS..Hα-helixtrans-63.3-50.1173.6-172.4179.9160.400111.5I74 R75 L79 G80 A81 S213I74-E77 PolarHBondContact O-N 3.22Å; R75-E77 PolarHBondContact O-N 3.05Å; E77-L79 VanDerWaalsContact C-N 3.35Å; E77-L79 PolarHBondContact O-N 3.43Å; E77-G80 PolarHBondContact O-N 3.31Å; E77-A81 PolarHBondContact O-N 2.89Å; E77-S213 VanDerWaalsContact OE1-C 3.27Å; E77-S213 VanDerWaalsContact OE1-CB 3.29Å; E77-S213 WeakPolarHBondContact OE1-CB 3.21Å; E77-S213 VanDerWaalsContact OE1-O 3.05Å; E77-S213 PolarHBondContact OE2-OG 2.92Å
78V83.5Confident84.4Confident10 Ų1056.4 Ų56.46%0.06129%0.289CS..Hα-helixtrans-64.9-41.1178.6-173.60000111R75 G80 A81 L82 S295 I298 L299 A335R75-V78 PolarHBondContact O-N 2.73Å; V78-G80 VanDerWaalsContact C-N 3.33Å; V78-G80 PolarHBondContact O-N 3.35Å; V78-A81 PolarHBondContact O-N 3.45Å; V78-L82 PolarHBondContact O-N 3.34Å; V78-S295 WeakPolarHBondContact CG1-O 3.14Å; V78-I298 HydrophobicContact CB-CG2 4.38Å; V78-I298 HydrophobicContact CG1-CB 3.76Å; V78-I298 HydrophobicContact CG1-CG2 3.72Å; V78-I298 HydrophobicContact CG2-CG2 3.78Å; V78-L299 HydrophobicContact CB-CD2 4.06Å; V78-L299 HydrophobicContact CB-CG 4.44Å; V78-L299 HydrophobicContact CG1-CD2 3.92Å; V78-L299 HydrophobicContact CG1-CG 3.77Å; V78-A335 HydrophobicContact CG2-CB 3.99Å
79L86.4Confident84.1Confident90 Ų9049.8 Ų49.847%0.47126%0.262SS..Hα-helixtrans-61.8-42.8175-178.462.6000111.4R75 E77 A81 L82 V83 L299R75-L79 PolarHBondContact O-N 3.39Å; E77-L79 VanDerWaalsContact C-N 3.35Å; E77-L79 PolarHBondContact O-N 3.43Å; L79-A81 VanDerWaalsContact C-N 3.34Å; L79-A81 PolarHBondContact O-N 2.78Å; L79-L82 PolarHBondContact O-N 3.13Å; L79-V83 HydrophobicContact CD1-CG2 4.34Å; L79-V83 HydrophobicContact CG-CG2 4.46Å; L79-V83 WeakPolarHBondContact O-CB 3.47Å; L79-V83 VanDerWaalsContact O-CG2 3.28Å; L79-V83 WeakPolarHBondContact O-CG2 3.42Å; L79-V83 PolarHBondContact O-N 3.38Å; L79-L299 HydrophobicContact CD1-CD1 4.25Å
80G85.1Confident84.1Confident8 Ų849.4 Ų49.48%0.08227%0.267CS..Hα-helixtrans-60.1-43.3174.900000112.5I53 C57 A76 E77 V78 L82 V83 N84I53-G80 WeakPolarHBondContact CG2-O 3.49Å; C57-G80 VanDerWaalsContact SG-CA 3.59Å; A76-G80 PolarHBondContact O-N 2.8Å; E77-G80 PolarHBondContact O-N 3.31Å; V78-G80 VanDerWaalsContact C-N 3.33Å; V78-G80 PolarHBondContact O-N 3.35Å; G80-L82 PolarHBondContact O-N 3.04Å; G80-V83 PolarHBondContact O-N 3.2Å; G80-N84 VanDerWaalsContact O-CB 3.28Å; G80-N84 WeakPolarHBondContact O-CB 3.17Å; G80-N84 PolarHBondContact O-N 2.88Å
81A80.9Confident84.1Confident27 Ų2745.7 Ų45.722%0.22324%0.243CC..Hα-helixtrans-61.5-42.9175.400000112.2E77 V78 L79 N84 A85E77-A81 PolarHBondContact O-N 2.89Å; V78-A81 PolarHBondContact O-N 3.45Å; L79-A81 VanDerWaalsContact C-N 3.34Å; L79-A81 PolarHBondContact O-N 2.78Å; A81-N84 PolarHBondContact O-N 3.07Å; A81-A85 WeakPolarHBondContact O-CB 3.32Å; A81-A85 PolarHBondContact O-N 2.92Å
82L84.7Confident84Confident33 Ų3340 Ų4017%0.17322%0.22CC..Hα-helixtrans-61.8-49.1175.4178.263.6000111.6V78 L79 G80 N84 A85 V86 V292 A296 L299V78-L82 PolarHBondContact O-N 3.34Å; L79-L82 PolarHBondContact O-N 3.13Å; G80-L82 PolarHBondContact O-N 3.04Å; L82-N84 VanDerWaalsContact C-N 3.32Å; L82-N84 PolarHBondContact O-N 2.84Å; L82-A85 PolarHBondContact O-N 3.44Å; L82-V86 WeakPolarHBondContact O-CG2 3.4Å; L82-V86 PolarHBondContact O-N 3.24Å; L82-V86 VanDerWaalsContact O-N 3.08Å; L82-V292 HydrophobicContact CD1-CG1 3.75Å; L82-A296 HydrophobicContact CD1-CB 4.35Å; L82-L299 HydrophobicContact CB-CD1 4.49Å; L82-L299 HydrophobicContact CD2-CD1 3.63Å
83V86.7Confident84Confident53 Ų5345.3 Ų45.332%0.32124%0.238SC..Hα-helixtrans-61.2-43.6179.6172.10000110.6I53 L79 G80 A85 V86 F87I53-V83 HydrophobicContact CD1-CG1 3.86Å; L79-V83 HydrophobicContact CD1-CG2 4.34Å; L79-V83 HydrophobicContact CG-CG2 4.46Å; L79-V83 WeakPolarHBondContact O-CB 3.47Å; L79-V83 VanDerWaalsContact O-CG2 3.28Å; L79-V83 WeakPolarHBondContact O-CG2 3.42Å; L79-V83 PolarHBondContact O-N 3.38Å; G80-V83 PolarHBondContact O-N 3.2Å; V83-A85 PolarHBondContact O-N 2.95Å; V83-V86 PolarHBondContact O-N 3.43Å; V83-F87 HydrophobicContact CG1-CD2 3.61Å; V83-F87 HydrophobicContact CG1-CE2 3.31Å; V83-F87 HydrophobicContact CG1-CZ 4.47Å; V83-F87 WeakPolarHBondContact O-CD2 3.35Å; V83-F87 PolarHBondContact O-N 3.46Å
84N84.2Confident84.1Confident27 Ų2744.2 Ų44.214%0.14424%0.244CC..Hα-helixtrans-58.8-47.5175.1-175.946.4000112.1A50 I53 G80 A81 L82 V86 F87 L88A50-N84 WeakPolarHBondContact CA-OD1 3.01Å; A50-N84 WeakPolarHBondContact CB-OD1 3.24Å; I53-N84 HydrophobicContact CD1-CB 4.47Å; G80-N84 VanDerWaalsContact O-CB 3.28Å; G80-N84 WeakPolarHBondContact O-CB 3.17Å; G80-N84 PolarHBondContact O-N 2.88Å; A81-N84 PolarHBondContact O-N 3.07Å; L82-N84 VanDerWaalsContact C-N 3.32Å; L82-N84 PolarHBondContact O-N 2.84Å; N84-V86 VanDerWaalsContact C-N 3.27Å; N84-V86 PolarHBondContact O-N 2.95Å; N84-F87 PolarHBondContact O-N 3.38Å; N84-L88 WeakPolarHBondContact ND2-CD1 3.1Å; N84-L88 WeakPolarHBondContact O-CB 3.34Å; N84-L88 PolarHBondContact O-N 2.67Å
85A80.9Confident84.3Confident9 Ų943.6 Ų43.67%0.07424%0.241CC..Hα-helixtrans-59.3-37.9178.700000112.4A81 L82 V83 L89 S291 V292A81-A85 WeakPolarHBondContact O-CB 3.32Å; A81-A85 PolarHBondContact O-N 2.92Å; L82-A85 PolarHBondContact O-N 3.44Å; V83-A85 PolarHBondContact O-N 2.95Å; A85-L89 VanDerWaalsContact O-CB 3.26Å; A85-L89 WeakPolarHBondContact O-CB 3.33Å; A85-L89 PolarHBondContact O-N 3.08Å; A85-L89 VanDerWaalsContact O-N 3.15Å; A85-S291 WeakPolarHBondContact CB-OG 3.22Å; A85-V292 HydrophobicContact CB-CG2 3.99Å
86V85Confident84.3Confident74 Ų7442 Ų4245%0.44824%0.237SC..Hα-helixtrans-68.4-42176.5173.50000111.7L82 V83 N84 L89 A90L82-V86 WeakPolarHBondContact O-CG2 3.4Å; L82-V86 PolarHBondContact O-N 3.24Å; L82-V86 VanDerWaalsContact O-N 3.08Å; V83-V86 PolarHBondContact O-N 3.43Å; N84-V86 VanDerWaalsContact C-N 3.27Å; N84-V86 PolarHBondContact O-N 2.95Å; V86-L89 PolarHBondContact O-N 3.01Å; V86-A90 PolarHBondContact O-N 3.49Å
87F84.9Confident84.6Confident94 Ų9444.8 Ų44.841%0.41225%0.248SC..Hα-helixtrans-66.4-46.5177.8-79.2-60.8000112.8I53 V83 N84 L89 A90 L91I53-F87 HydrophobicContact CD1-CD2 3.78Å; I53-F87 HydrophobicContact CD1-CE2 4.08Å; V83-F87 HydrophobicContact CG1-CD2 3.61Å; V83-F87 HydrophobicContact CG1-CE2 3.31Å; V83-F87 HydrophobicContact CG1-CZ 4.47Å; V83-F87 WeakPolarHBondContact O-CD2 3.35Å; V83-F87 PolarHBondContact O-N 3.46Å; N84-F87 PolarHBondContact O-N 3.38Å; F87-L89 PolarHBondContact O-N 3.47Å; F87-A90 PolarHBondContact O-N 3.24Å; F87-A90 VanDerWaalsContact O-N 3.14Å; F87-L91 PolarHBondContact O-N 3.01Å
88L81.3Confident84.9Confident13 Ų1347.7 Ų47.77%0.06826%0.262CS..Hα-helixtrans-53.6-46.7174.8-82.1158.8000111.2S46 N84 L91 C92 H224S46-L88 WeakPolarHBondContact OG-CA 3.48Å; S46-L88 WeakPolarHBondContact OG-CD2 3.4Å; S46-L88 WeakPolarHBondContact OG-CG 3.21Å; N84-L88 WeakPolarHBondContact ND2-CD1 3.1Å; N84-L88 WeakPolarHBondContact O-CB 3.34Å; N84-L88 PolarHBondContact O-N 2.67Å; L88-L91 PolarHBondContact O-N 2.96Å; L88-C92 WeakPolarHBondContact O-CB 3.19Å; L88-C92 PolarHBondContact O-N 2.77Å; L88-C92 PolarHBondContact O-SG 2.92Å; L88-H224 VanDerWaalsContact CD1-CE1 3.47Å; L88-H224 WeakPolarHBondContact CD1-CE1 2.96Å
89L80.6Confident85.2Confident50 Ų5047.3 Ų47.326%0.26226%0.26SS..Hα-helixtrans-62.5-44.9178.1169.362.1000112.5A85 V86 F87 L91 C92 F93 F288A85-L89 VanDerWaalsContact O-CB 3.26Å; A85-L89 WeakPolarHBondContact O-CB 3.33Å; A85-L89 PolarHBondContact O-N 3.08Å; A85-L89 VanDerWaalsContact O-N 3.15Å; V86-L89 PolarHBondContact O-N 3.01Å; F87-L89 PolarHBondContact O-N 3.47Å; L89-L91 VanDerWaalsContact C-N 3.35Å; L89-L91 PolarHBondContact O-N 3.33Å; L89-C92 PolarHBondContact O-N 3.03Å; L89-F93 WeakPolarHBondContact O-CB 3.35Å; L89-F93 PolarHBondContact O-N 3.27Å; L89-F288 HydrophobicContact CD1-CD2 3.29Å; L89-F288 HydrophobicContact CD1-CE2 3.63Å; L89-F288 HydrophobicContact CD1-CG 4.3Å; L89-F288 HydrophobicContact CD2-CD2 3.43Å; L89-F288 VanDerWaalsContact CD2-CD2 3.43Å; L89-F288 HydrophobicContact CD2-CE1 4.36Å; L89-F288 HydrophobicContact CD2-CE2 3.11Å; L89-F288 HydrophobicContact CD2-CG 4.17Å; L89-F288 HydrophobicContact CD2-CZ 3.62Å; L89-F288 HydrophobicContact CG-CD2 3.92Å; L89-F288 HydrophobicContact CG-CE2 3.82Å
90A86Confident85.4Confident50 Ų5046.4 Ų46.441%0.41326%0.256SS..Hα-helixtrans-60.8-44.9178.300000111.4V86 F87 F93 S94V86-A90 PolarHBondContact O-N 3.49Å; F87-A90 PolarHBondContact O-N 3.24Å; F87-A90 VanDerWaalsContact O-N 3.14Å; A90-F93 PolarHBondContact O-N 3.48Å; A90-S94 PolarHBondContact O-N 3.41Å; A90-S94 PolarHBondContact O-OG 3.33Å
91L85.5Confident85.7Confident27 Ų2751.7 Ų51.714%0.14128%0.276CS..Hα-helixtrans-69.7-39.7179.3-70.6173.9000112.5F42 S46 L49 F87 L88 L89 F93 S94 I95F42-L91 HydrophobicContact CD1-CD2 4.42Å; S46-L91 VanDerWaalsContact CA-CD1 3.45Å; S46-L91 VanDerWaalsContact CB-CD1 3.41Å; L49-L91 HydrophobicContact CD1-CD1 4.13Å; F87-L91 PolarHBondContact O-N 3.01Å; L88-L91 PolarHBondContact O-N 2.96Å; L89-L91 VanDerWaalsContact C-N 3.35Å; L89-L91 PolarHBondContact O-N 3.33Å; L91-F93 VanDerWaalsContact C-N 3.3Å; L91-F93 PolarHBondContact O-N 3.39Å; L91-S94 WeakPolarHBondContact O-CB 3.34Å; L91-S94 PolarHBondContact O-N 2.68Å; L91-I95 VanDerWaalsContact O-CG1 3.32Å; L91-I95 WeakPolarHBondContact O-CG1 3.31Å; L91-I95 PolarHBondContact O-N 3.44Å
92C82.8Confident86.1Confident12 Ų1251.7 Ų51.78%0.08127%0.271CS..Hα-helixtrans-59.4-42.6173.4-70.40000111.7L88 L89 I95 F96 I266L88-C92 WeakPolarHBondContact O-CB 3.19Å; L88-C92 PolarHBondContact O-N 2.77Å; L88-C92 PolarHBondContact O-SG 2.92Å; L89-C92 PolarHBondContact O-N 3.03Å; C92-I95 PolarHBondContact O-N 3.32Å; C92-F96 WeakPolarHBondContact O-CB 3.32Å; C92-F96 PolarHBondContact O-N 3.44Å; C92-I266 VanDerWaalsContact SG-CG2 3.53Å
93F84.6Confident86.4Confident127 Ų12752.5 Ų52.556%0.55728%0.275SS*.Hα-helixtrans-64.4-41.5175.5-178.6-105.8000111.8L89 A90 L91 F96 I97L89-F93 WeakPolarHBondContact O-CB 3.35Å; L89-F93 PolarHBondContact O-N 3.27Å; A90-F93 PolarHBondContact O-N 3.48Å; L91-F93 VanDerWaalsContact C-N 3.3Å; L91-F93 PolarHBondContact O-N 3.39Å; F93-F96 PolarHBondContact O-N 3.32Å; F93-I97 HydrophobicContact CD1-CG1 4.26Å; F93-I97 HydrophobicContact CD2-CG1 4.34Å; F93-I97 HydrophobicContact CE1-CD1 4.46Å; F93-I97 HydrophobicContact CE1-CG1 3.82Å; F93-I97 HydrophobicContact CE2-CD1 3.96Å; F93-I97 HydrophobicContact CE2-CG1 3.92Å; F93-I97 HydrophobicContact CZ-CD1 3.8Å; F93-I97 HydrophobicContact CZ-CG1 3.64Å; F93-I97 WeakPolarHBondContact O-CG1 3.38Å; F93-I97 PolarHBondContact O-N 3.44Å
94S87.8Confident86.6Confident67 Ų6755.8 Ų55.847%0.46929%0.294SS..Hα-helixtrans-59.7-46.9174.6-66.10000112.5A90 L91 F96 I97 E98A90-S94 PolarHBondContact O-N 3.41Å; A90-S94 PolarHBondContact O-OG 3.33Å; L91-S94 WeakPolarHBondContact O-CB 3.34Å; L91-S94 PolarHBondContact O-N 2.68Å; S94-F96 VanDerWaalsContact C-N 3.31Å; S94-F96 PolarHBondContact O-N 2.85Å; S94-I97 PolarHBondContact O-N 2.98Å; S94-E98 WeakPolarHBondContact O-CB 3.48Å; S94-E98 PolarHBondContact O-N 3.27Å
95I86.5Confident86.8Confident8 Ų861 Ų614%0.04132%0.318CS..Hα-helixtrans-60.7-43.3177.3-64.7164.7000110.6A39 F42 L91 C92 E98 G99 A263A39-I95 HydrophobicContact CB-CG2 3.55Å; F42-I95 HydrophobicContact CB-CD1 3.81Å; F42-I95 HydrophobicContact CB-CG1 3.74Å; L91-I95 VanDerWaalsContact O-CG1 3.32Å; L91-I95 WeakPolarHBondContact O-CG1 3.31Å; L91-I95 PolarHBondContact O-N 3.44Å; C92-I95 PolarHBondContact O-N 3.32Å; I95-E98 PolarHBondContact O-N 3.19Å; I95-G99 PolarHBondContact O-N 2.99Å; I95-A263 HydrophobicContact CG2-CB 3.97Å
96F87.3Confident87Confident65 Ų6562.4 Ų62.429%0.28533%0.326SS..Hα-helixtrans-61.2-47178.6179.7-100.4000112.3C92 F93 S94 G99 L100 L260C92-F96 WeakPolarHBondContact O-CB 3.32Å; C92-F96 PolarHBondContact O-N 3.44Å; F93-F96 PolarHBondContact O-N 3.32Å; S94-F96 VanDerWaalsContact C-N 3.31Å; S94-F96 PolarHBondContact O-N 2.85Å; F96-G99 PolarHBondContact O-N 2.89Å; F96-L100 HydrophobicContact CD1-CD1 4.01Å; F96-L100 HydrophobicContact CE1-CD1 3.41Å; F96-L100 VanDerWaalsContact CE1-CD1 3.41Å; F96-L100 HydrophobicContact CE1-CG 4.16Å; F96-L100 HydrophobicContact CZ-CD1 3.76Å; F96-L100 HydrophobicContact CZ-CD2 4.48Å; F96-L100 HydrophobicContact CZ-CG 4.21Å; F96-L100 WeakPolarHBondContact O-CG 3.33Å; F96-L100 PolarHBondContact O-N 3.4Å; F96-L260 HydrophobicContact CD2-CD2 3.54Å; F96-L260 HydrophobicContact CE2-CD2 3.49Å; F96-L260 VanDerWaalsContact CE2-CD2 3.49Å; F96-L260 HydrophobicContact CZ-CD2 4.44Å
97I90.4Very high87Confident77 Ų7763.2 Ų63.240%0.39533%0.325SS..Hα-helixtrans-65.1-41.4178.3-66.5-61.6000111.5F93 S94 L100 K101F93-I97 HydrophobicContact CD1-CG1 4.26Å; F93-I97 HydrophobicContact CD2-CG1 4.34Å; F93-I97 HydrophobicContact CE1-CD1 4.46Å; F93-I97 HydrophobicContact CE1-CG1 3.82Å; F93-I97 HydrophobicContact CE2-CD1 3.96Å; F93-I97 HydrophobicContact CE2-CG1 3.92Å; F93-I97 HydrophobicContact CZ-CD1 3.8Å; F93-I97 HydrophobicContact CZ-CG1 3.64Å; F93-I97 WeakPolarHBondContact O-CG1 3.38Å; F93-I97 PolarHBondContact O-N 3.44Å; S94-I97 PolarHBondContact O-N 2.98Å; I97-L100 PolarHBondContact O-N 3.09Å; I97-K101 WeakPolarHBondContact O-CB 3.47Å; I97-K101 PolarHBondContact O-N 3.01Å
98E88.7Confident87Confident80 Ų8062.8 Ų62.837%0.37433%0.325SS..Hα-helixtrans-64.2-41.7177.3-164.761.7-144.400111.3S94 I95 L100 K101 R102S94-E98 WeakPolarHBondContact O-CB 3.48Å; S94-E98 PolarHBondContact O-N 3.27Å; I95-E98 PolarHBondContact O-N 3.19Å; E98-L100 PolarHBondContact O-N 3.37Å; E98-K101 PolarHBondContact O-N 3.45Å; E98-K101 IonicContact OE1-NZ 3.57Å; E98-R102 WeakPolarHBondContact O-CB 3.11Å; E98-R102 PolarHBondContact O-N 3.23Å
99G88.9Confident87.3Confident3 Ų362.3 Ų62.33%0.03132%0.322CS..Hα-helixtrans-60.1-42.1174.100000113I95 F96 R102 L103I95-G99 PolarHBondContact O-N 2.99Å; F96-G99 PolarHBondContact O-N 2.89Å; G99-R102 PolarHBondContact O-N 2.97Å; G99-L103 PolarHBondContact O-N 3.36Å
100L90.8Very high87.6Confident71 Ų7164.4 Ų64.437%0.37233%0.33SS..Hα-helixtrans-65.4-44.3175.5-73.9-178.3000112.6F96 I97 E98 R102 L103 V104 L260F96-L100 HydrophobicContact CD1-CD1 4.01Å; F96-L100 HydrophobicContact CE1-CD1 3.41Å; F96-L100 VanDerWaalsContact CE1-CD1 3.41Å; F96-L100 HydrophobicContact CE1-CG 4.16Å; F96-L100 HydrophobicContact CZ-CD1 3.76Å; F96-L100 HydrophobicContact CZ-CD2 4.48Å; F96-L100 HydrophobicContact CZ-CG 4.21Å; F96-L100 WeakPolarHBondContact O-CG 3.33Å; F96-L100 PolarHBondContact O-N 3.4Å; I97-L100 PolarHBondContact O-N 3.09Å; E98-L100 PolarHBondContact O-N 3.37Å; L100-R102 VanDerWaalsContact C-N 3.27Å; L100-R102 PolarHBondContact O-N 3.07Å; L100-L103 HydrophobicContact CD2-CD1 4.45Å; L100-L103 PolarHBondContact O-N 3.37Å; L100-V104 PolarHBondContact O-N 2.79Å; L100-L260 HydrophobicContact CD2-CD1 4.32Å; L100-L260 HydrophobicContact CD2-CD2 4.11Å; L100-L260 HydrophobicContact CG-CD2 4.34Å
101K92.3Very high87.8Confident118 Ų11867.1 Ų67.151%0.51333%0.334SS..Hα-helixtrans-58.5-43.7176.5-179.5-173.5167.8-157.10110.6I97 E98 L103 V104 E105I97-K101 WeakPolarHBondContact O-CB 3.47Å; I97-K101 PolarHBondContact O-N 3.01Å; E98-K101 PolarHBondContact O-N 3.45Å; E98-K101 IonicContact OE1-NZ 3.57Å; K101-L103 VanDerWaalsContact C-N 3.35Å; K101-L103 PolarHBondContact O-N 3.45Å; K101-V104 PolarHBondContact O-N 2.74Å; K101-E105 PolarHBondContact O-N 3.04Å; K101-E105 VanDerWaalsContact O-N 3.12Å
102R88.6Confident88.1Confident28 Ų2866.8 Ų66.811%0.10633%0.334CS..Hα-helixtrans-67.8-29.5178.7-164.769.5148.8-156.7-9.8114.1N33 T35 E98 G99 L100 V104 E105 P106 E107 P256N33-R102 PolarHBondContact O-NH2 2.96Å; T35-R102 HydrophobicContact CG2-CB 4.01Å; T35-R102 HydrophobicContact CG2-CG 3.42Å; T35-R102 VanDerWaalsContact CG2-CG 3.42Å; E98-R102 WeakPolarHBondContact O-CB 3.11Å; E98-R102 PolarHBondContact O-N 3.23Å; G99-R102 PolarHBondContact O-N 2.97Å; L100-R102 VanDerWaalsContact C-N 3.27Å; L100-R102 PolarHBondContact O-N 3.07Å; R102-V104 PolarHBondContact O-N 3.44Å; R102-E105 WeakPolarHBondContact CD-O 3.29Å; R102-E105 CarbonylContact O-C 3.59Å; R102-P106 VanDerWaalsContact O-CA 3.29Å; R102-P106 WeakPolarHBondContact O-CA 3.45Å; R102-E107 IonicContact CZ-OE1 3.11Å; R102-E107 IonicContact CZ-OE2 2.73Å; R102-E107 VanDerWaalsContact NH1-CG 3.28Å; R102-E107 IonicContact NH1-OE1 3.03Å; R102-E107 PolarHBondContact NH1-OE1 3.12Å; R102-E107 IonicContact NH1-OE2 3.46Å; R102-E107 PolarHBondContact NH1-OE2 3.41Å; R102-E107 VanDerWaalsContact NH2-CB 3.28Å; R102-E107 IonicContact NH2-OE1 3.85Å; R102-E107 IonicContact NH2-OE2 2.61Å; R102-E107 PolarHBondContact NH2-OE2 2.86Å; R102-P256 HydrophobicContact CB-CB 3.95Å; R102-P256 HydrophobicContact CG-CB 3.94Å; R102-P256 HydrophobicContact CG-CG 4.3Å
103L90.3Very high88.6Confident50 Ų5071 Ų7126%0.26236%0.355SS..Hα-helixtrans-63.5-33.1173-79.5-179.8000112.5G99 L100 K101 Y253 P256 L260G99-L103 PolarHBondContact O-N 3.36Å; L100-L103 HydrophobicContact CD2-CD1 4.45Å; L100-L103 PolarHBondContact O-N 3.37Å; K101-L103 VanDerWaalsContact C-N 3.35Å; K101-L103 PolarHBondContact O-N 3.45Å; L103-Y253 HydrophobicContact CD2-CD1 4.29Å; L103-P256 HydrophobicContact CD2-CB 3.81Å; L103-P256 HydrophobicContact CD2-CG 3.73Å; L103-P256 HydrophobicContact CG-CB 4.03Å; L103-P256 HydrophobicContact CG-CG 4.41Å; L103-L260 HydrophobicContact CD1-CD1 3.24Å; L103-L260 HydrophobicContact CG-CD1 3.87Å
104V91.6Very high89.2Confident121 Ų12168 Ų6873%0.73334%0.343SS*.Hα-helixtrans-79.9-40.6179.9-179.10000110.9L100 K101 R102 P106L100-V104 PolarHBondContact O-N 2.79Å; K101-V104 PolarHBondContact O-N 2.74Å; R102-V104 PolarHBondContact O-N 3.44Å; V104-P106 VanDerWaalsContact O-CD 3.31Å; V104-P106 WeakPolarHBondContact O-CD 3.49Å
105E88.7Confident89.5Confident136 Ų13664.8 Ų64.864%0.63632%0.32SS*.SBendtrans-117.179.2176.6-67.8177.2178.800110.2K101 R102 E107K101-E105 PolarHBondContact O-N 3.04Å; K101-E105 VanDerWaalsContact O-N 3.12Å; R102-E105 WeakPolarHBondContact CD-O 3.29Å; R102-E105 CarbonylContact O-C 3.59Å; E105-E107 PolarHBondContact O-N 3.16Å
106P84.3Confident90Very high39 Ų3966.3 Ų66.325%0.25333%0.329SS..PPolyproline II helixtrans-71.2128.9-177.226.5-32.5000111R102 V104 R252 Y253R102-P106 VanDerWaalsContact O-CA 3.29Å; R102-P106 WeakPolarHBondContact O-CA 3.45Å; V104-P106 VanDerWaalsContact O-CD 3.31Å; V104-P106 WeakPolarHBondContact O-CD 3.49Å; P106-R252 HydrophobicContact CB-CB 3.96Å; P106-R252 WeakPolarHBondContact CB-O 3.31Å; P106-Y253 HydrophobicContact CG-CE1 4.4Å
107E85Confident90.4Very high91 Ų9167.6 Ų67.643%0.42534%0.337SS..PPolyproline II helixtrans-99.5159.8167.2-65.4-177.9-162.200110.9R102 E105R102-E107 IonicContact CZ-OE1 3.11Å; R102-E107 IonicContact CZ-OE2 2.73Å; R102-E107 VanDerWaalsContact NH1-CG 3.28Å; R102-E107 IonicContact NH1-OE1 3.03Å; R102-E107 PolarHBondContact NH1-OE1 3.12Å; R102-E107 IonicContact NH1-OE2 3.46Å; R102-E107 PolarHBondContact NH1-OE2 3.41Å; R102-E107 VanDerWaalsContact NH2-CB 3.28Å; R102-E107 IonicContact NH2-OE1 3.85Å; R102-E107 IonicContact NH2-OE2 2.61Å; R102-E107 PolarHBondContact NH2-OE2 2.86Å; E105-E107 PolarHBondContact O-N 3.16Å
108E85.1Confident90.7Very high86 Ų8664.1 Ų64.140%0.40232%0.32SS..PPolyproline II helixtrans-88.3130.5178.4-62.9-175.3178.200110.1E110 I248 R252E108-E110 PolarHBondContact O-N 3.44Å; E108-I248 WeakPolarHBondContact OE1-CD1 3.3Å; E108-R252 HydrophobicContact CG-CG 4.19Å; E108-R252 IonicContact OE1-CZ 3.26Å; E108-R252 VanDerWaalsContact OE1-CZ 3.26Å; E108-R252 IonicContact OE1-NE 3.04Å; E108-R252 PolarHBondContact OE1-NE 3.14Å; E108-R252 IonicContact OE1-NH2 2.67Å; E108-R252 PolarHBondContact OE1-NH2 2.83Å
109I87.2Confident91.1Very high3 Ų360.3 Ų60.32%0.01530%0.302CS..PPolyproline II helixtrans-61.8131.2171.8-72.5164.2000109.3I115 C242 R251 D255I109-I115 HydrophobicContact CG2-CD1 3.35Å; I109-C242 HydrophobicContact CD1-CB 4.36Å; I109-C242 WeakPolarHBondContact CD1-SG 3.44Å; I109-R251 PolarHBondContact O-NE 3.28Å; I109-R251 PolarHBondContact O-NH2 3.04Å; I109-D255 HydrophobicContact CD1-CB 3.61Å; I109-D255 HydrophobicContact CG1-CB 4.2Å
110E87Confident91.4Very high93 Ų9363.2 Ų63.244%0.43532%0.319SS..PPolyproline II helixtrans-98.2138.3170.5-62.5-176.6-161.500109.9T32 N33 E108T32-E110 WeakPolarHBondContact CB-O 3.21Å; T32-E110 WeakPolarHBondContact CG2-O 3.29Å; T32-E110 PolarHBondContact O-N 3.1Å; N33-E110 PolarHBondContact ND2-OE1 2.9Å; E108-E110 PolarHBondContact O-N 3.44Å
111H91Very high91.7Very high107 Ų10763.7 Ų63.750%0.49532%0.321SS..  trans52.966.8173-52.2-65.4000116L113 Q114H111-L113 PolarHBondContact O-N 3.03Å; H111-Q114 HydrophobicContact CB-CB 4.36Å; H111-Q114 HydrophobicContact CB-CG 3.97Å; H111-Q114 WeakPolarHBondContact O-CB 3.15Å; H111-Q114 PolarHBondContact O-N 2.7Å
112P91.3Very high91.8Very high21 Ų2158 Ų5814%0.13630%0.296CS..Hα-helixtrans-57.1-26.4-177.923.5-34.5000114.2Q114 I115 L116 C242 W243P112-Q114 VanDerWaalsContact C-N 3.32Å; P112-Q114 PolarHBondContact O-N 2.94Å; P112-I115 PolarHBondContact O-N 3.05Å; P112-L116 PolarHBondContact O-N 2.86Å; P112-C242 HydrophobicContact CB-CB 4.23Å; P112-W243 HydrophobicContact CB-CB 4.37Å; P112-W243 HydrophobicContact CG-CB 4.38Å
113L94.3Very high92Very high100 Ų10059.2 Ų59.252%0.52430%0.304SS..Hα-helixtrans-62.4-36.5174.8-168.1101.5000112.6H111 L116 I117H111-L113 PolarHBondContact O-N 3.03Å; L113-L116 PolarHBondContact O-N 3.32Å; L113-I117 HydrophobicContact CD2-CD1 4.01Å; L113-I117 HydrophobicContact CG-CD1 4.27Å; L113-I117 VanDerWaalsContact O-CG1 3.31Å; L113-I117 WeakPolarHBondContact O-CG1 3.45Å; L113-I117 PolarHBondContact O-N 3.46Å
114Q95.5Very high92.3Very high63 Ų6361.4 Ų61.429%0.29432%0.315SS..Hα-helixtrans-67.5-42.2178.7-67179.2-0.700110.7F28 T32 H111 P112 L116 I117 V118F28-Q114 HydrophobicContact CD1-CB 4.32Å; T32-Q114 HydrophobicContact CG2-CB 4.09Å; H111-Q114 HydrophobicContact CB-CB 4.36Å; H111-Q114 HydrophobicContact CB-CG 3.97Å; H111-Q114 WeakPolarHBondContact O-CB 3.15Å; H111-Q114 PolarHBondContact O-N 2.7Å; P112-Q114 VanDerWaalsContact C-N 3.32Å; P112-Q114 PolarHBondContact O-N 2.94Å; Q114-L116 VanDerWaalsContact C-N 3.31Å; Q114-L116 PolarHBondContact O-N 3.26Å; Q114-I117 PolarHBondContact O-N 3.22Å; Q114-V118 WeakPolarHBondContact O-CG2 3.47Å; Q114-V118 PolarHBondContact O-N 3.25Å
115I95Very high92.3Very high0 Ų056.6 Ų56.60%029%0.286CS..Hα-helixtrans-60-43.7174.5-56.6172.3000110.3T32 S34 L37 I109 P112 I117 V118 G119 V235 A239T32-I115 HydrophobicContact CG2-CD1 4.47Å; T32-I115 HydrophobicContact CG2-CG1 3.86Å; S34-I115 VanDerWaalsContact CB-CD1 3.49Å; L37-I115 HydrophobicContact CD2-CG1 4.4Å; L37-I115 HydrophobicContact CD2-CG2 4.43Å; I109-I115 HydrophobicContact CG2-CD1 3.35Å; P112-I115 PolarHBondContact O-N 3.05Å; I115-I117 PolarHBondContact O-N 2.66Å; I115-V118 PolarHBondContact O-N 2.89Å; I115-G119 PolarHBondContact O-N 2.91Å; I115-V235 HydrophobicContact CG2-CG1 3.54Å; I115-A239 HydrophobicContact CB-CB 4.04Å; I115-A239 HydrophobicContact CG2-CB 3.9Å
116L96.4Very high92.4Very high41 Ų4150.3 Ų50.322%0.21526%0.257CS..Hα-helixtrans-60-46.2177-179.961.1000112P112 L113 Q114 G119 V120 I236 A239 I240P112-L116 PolarHBondContact O-N 2.86Å; L113-L116 PolarHBondContact O-N 3.32Å; Q114-L116 VanDerWaalsContact C-N 3.31Å; Q114-L116 PolarHBondContact O-N 3.26Å; L116-G119 PolarHBondContact O-N 3.01Å; L116-V120 HydrophobicContact CD1-CG2 4.18Å; L116-V120 WeakPolarHBondContact O-CB 3.26Å; L116-V120 VanDerWaalsContact O-CG2 3.28Å; L116-V120 WeakPolarHBondContact O-CG2 3.34Å; L116-V120 PolarHBondContact O-N 3.26Å; L116-I236 HydrophobicContact CD1-CB 4.45Å; L116-I236 HydrophobicContact CD1-CG1 4.5Å; L116-I236 HydrophobicContact CD1-CG2 3.81Å; L116-A239 HydrophobicContact CB-CB 3.85Å; L116-A239 HydrophobicContact CD1-CB 4.47Å; L116-I240 HydrophobicContact CD1-CD1 4.3Å; L116-I240 HydrophobicContact CD1-CG1 3.91Å
117I96.9Very high92.8Very high91 Ų9151.2 Ų51.247%0.46726%0.262SS..Hα-helixtrans-61.7-48.3179-68.9164.6000110.4L113 Q114 I115 V120 I121L113-I117 HydrophobicContact CD2-CD1 4.01Å; L113-I117 HydrophobicContact CG-CD1 4.27Å; L113-I117 VanDerWaalsContact O-CG1 3.31Å; L113-I117 WeakPolarHBondContact O-CG1 3.45Å; L113-I117 PolarHBondContact O-N 3.46Å; Q114-I117 PolarHBondContact O-N 3.22Å; I115-I117 PolarHBondContact O-N 2.66Å; I117-V120 PolarHBondContact O-N 3.38Å; I117-I121 HydrophobicContact CG2-CD1 3.83Å; I117-I121 VanDerWaalsContact O-CG1 3.28Å; I117-I121 WeakPolarHBondContact O-CG1 3.3Å; I117-I121 PolarHBondContact O-N 2.94Å
118V96.5Very high93Very high5 Ų551 Ų513%0.0326%0.263CS..Hα-helixtrans-61.4-48.6178.8175.40000110.2F21 V24 E25 F28 L37 Q114 I115 V120 I121 G122F21-V118 HydrophobicContact CE2-CG1 4.4Å; F21-V118 HydrophobicContact CZ-CG1 3.98Å; F21-V118 WeakPolarHBondContact CZ-O 3.42Å; V24-V118 HydrophobicContact CG1-CG1 4.22Å; V24-V118 HydrophobicContact CG1-CG2 4.31Å; E25-V118 HydrophobicContact CG-CG1 4.02Å; F28-V118 HydrophobicContact CB-CG2 3.9Å; F28-V118 HydrophobicContact CD1-CG2 4.21Å; F28-V118 HydrophobicContact CD2-CG2 3.9Å; F28-V118 HydrophobicContact CE2-CG2 4.5Å; F28-V118 HydrophobicContact CG-CG2 3.73Å; L37-V118 HydrophobicContact CD1-CG1 3.89Å; L37-V118 HydrophobicContact CD2-CG1 4.34Å; Q114-V118 WeakPolarHBondContact O-CG2 3.47Å; Q114-V118 PolarHBondContact O-N 3.25Å; I115-V118 PolarHBondContact O-N 2.89Å; V118-V120 VanDerWaalsContact C-N 3.35Å; V118-V120 PolarHBondContact O-N 3.23Å; V118-I121 PolarHBondContact O-N 3.25Å; V118-I121 VanDerWaalsContact O-N 3.15Å; V118-G122 PolarHBondContact O-N 2.92Å
119G95.4Very high93.1Very high0 Ų047 Ų470%025%0.245CC..Hα-helixtrans-59.2-40.7178.500000113.5I115 L116 G122 L123I115-G119 PolarHBondContact O-N 2.91Å; L116-G119 PolarHBondContact O-N 3.01Å; G119-G122 PolarHBondContact O-N 3.39Å; G119-L123 PolarHBondContact O-N 2.98Å
120V96.8Very high93.1Very high64 Ų6448.8 Ų48.839%0.38825%0.254SS..Hα-helixtrans-65.8-42.3175.7170.20000111.6L116 I117 V118 G122 L123 I124 I236L116-V120 HydrophobicContact CD1-CG2 4.18Å; L116-V120 WeakPolarHBondContact O-CB 3.26Å; L116-V120 VanDerWaalsContact O-CG2 3.28Å; L116-V120 WeakPolarHBondContact O-CG2 3.34Å; L116-V120 PolarHBondContact O-N 3.26Å; I117-V120 PolarHBondContact O-N 3.38Å; V118-V120 VanDerWaalsContact C-N 3.35Å; V118-V120 PolarHBondContact O-N 3.23Å; V120-G122 VanDerWaalsContact C-N 3.31Å; V120-G122 PolarHBondContact O-N 3.02Å; V120-L123 PolarHBondContact O-N 2.97Å; V120-I124 HydrophobicContact CG1-CD1 4.18Å; V120-I124 WeakPolarHBondContact O-CG1 3.1Å; V120-I124 PolarHBondContact O-N 3.29Å; V120-I124 VanDerWaalsContact O-N 3.1Å; V120-I236 HydrophobicContact CG2-CD1 4.06Å; V120-I236 HydrophobicContact CG2-CG1 4.19Å
121I95.9Very high93Very high80 Ų8051.5 Ų51.541%0.4126%0.264SS..Hα-helixtrans-62.1-42.9174.9-66.5167.8000110F21 I117 V118 L123 I124 V125F21-I121 HydrophobicContact CD2-CG2 4.2Å; F21-I121 HydrophobicContact CE2-CB 4.1Å; F21-I121 HydrophobicContact CE2-CG2 3.64Å; F21-I121 HydrophobicContact CZ-CG2 4.48Å; I117-I121 HydrophobicContact CG2-CD1 3.83Å; I117-I121 VanDerWaalsContact O-CG1 3.28Å; I117-I121 WeakPolarHBondContact O-CG1 3.3Å; I117-I121 PolarHBondContact O-N 2.94Å; V118-I121 PolarHBondContact O-N 3.25Å; V118-I121 VanDerWaalsContact O-N 3.15Å; I121-L123 PolarHBondContact O-N 3.26Å; I121-I124 WeakPolarHBondContact O-CB 3.43Å; I121-I124 PolarHBondContact O-N 3.42Å; I121-I124 VanDerWaalsContact O-N 3.16Å; I121-V125 HydrophobicContact CG2-CG2 4.3Å; I121-V125 VanDerWaalsContact O-CG2 3.27Å; I121-V125 WeakPolarHBondContact O-CG2 3.34Å; I121-V125 PolarHBondContact O-N 3.42Å
122G94.2Very high92.6Very high0 Ų048.5 Ų48.50%025%0.251CS..Hα-helixtrans-59.8-45.4177.100000113V118 G119 V120 I124 V125 N126V118-G122 PolarHBondContact O-N 2.92Å; G119-G122 PolarHBondContact O-N 3.39Å; V120-G122 VanDerWaalsContact C-N 3.31Å; V120-G122 PolarHBondContact O-N 3.02Å; G122-I124 VanDerWaalsContact C-N 3.3Å; G122-I124 PolarHBondContact O-N 3.16Å; G122-V125 WeakPolarHBondContact O-CB 3.33Å; G122-V125 PolarHBondContact O-N 3.03Å; G122-V125 VanDerWaalsContact O-N 3.14Å; G122-N126 WeakPolarHBondContact O-CB 3.24Å; G122-N126 VanDerWaalsContact O-CG 3.25Å; G122-N126 PolarHBondContact O-N 3.03Å; G122-N126 PolarHBondContact O-ND2 2.88Å
123L94.5Very high91.8Very high52 Ų5248.2 Ų48.227%0.27225%0.248SC..Hα-helixtrans-59.1-41.8174.9-175.860.8000111.9G119 V120 I121 N126 V127 A229 V233 I236G119-L123 PolarHBondContact O-N 2.98Å; V120-L123 PolarHBondContact O-N 2.97Å; I121-L123 PolarHBondContact O-N 3.26Å; L123-N126 PolarHBondContact O-N 2.87Å; L123-V127 HydrophobicContact CD1-CG2 4.45Å; L123-V127 WeakPolarHBondContact O-CB 3.38Å; L123-V127 WeakPolarHBondContact O-CG2 3.34Å; L123-V127 PolarHBondContact O-N 3.01Å; L123-A229 HydrophobicContact CD1-CB 4.46Å; L123-V233 HydrophobicContact CD1-CG2 4.14Å; L123-V233 HydrophobicContact CD2-CG2 4.49Å; L123-I236 HydrophobicContact CB-CD1 4.15Å; L123-I236 HydrophobicContact CD2-CD1 3.94Å
124I94.8Very high90.6Very high96 Ų9647.6 Ų47.649%0.49224%0.242SC..Hα-helixtrans-62.8-45.4176.2-67.8165.4000110.8V120 I121 G122 N126 V127 I128V120-I124 HydrophobicContact CG1-CD1 4.18Å; V120-I124 WeakPolarHBondContact O-CG1 3.1Å; V120-I124 PolarHBondContact O-N 3.29Å; V120-I124 VanDerWaalsContact O-N 3.1Å; I121-I124 WeakPolarHBondContact O-CB 3.43Å; I121-I124 PolarHBondContact O-N 3.42Å; I121-I124 VanDerWaalsContact O-N 3.16Å; G122-I124 VanDerWaalsContact C-N 3.3Å; G122-I124 PolarHBondContact O-N 3.16Å; I124-N126 VanDerWaalsContact C-N 3.34Å; I124-N126 PolarHBondContact O-N 3.03Å; I124-V127 PolarHBondContact O-N 3.19Å; I124-I128 HydrophobicContact CG2-CD1 3.98Å; I124-I128 VanDerWaalsContact O-CG1 3.31Å; I124-I128 WeakPolarHBondContact O-CG1 3.38Å; I124-I128 PolarHBondContact O-N 2.78Å
125V93Very high88.7Confident20 Ų2047 Ų4712%0.12125%0.253CS..Hα-helixtrans-58.9-45.2177.9169.20000110.8L17 F21 I121 G122 I128 G129L17-V125 HydrophobicContact CD1-CG1 4.28Å; L17-V125 HydrophobicContact CD2-CG1 3.19Å; L17-V125 HydrophobicContact CG-CG1 3.73Å; F21-V125 HydrophobicContact CB-CG1 4.36Å; F21-V125 HydrophobicContact CD2-CG2 4.36Å; F21-V125 HydrophobicContact CG-CG1 4.44Å; I121-V125 HydrophobicContact CG2-CG2 4.3Å; I121-V125 VanDerWaalsContact O-CG2 3.27Å; I121-V125 WeakPolarHBondContact O-CG2 3.34Å; I121-V125 PolarHBondContact O-N 3.42Å; G122-V125 WeakPolarHBondContact O-CB 3.33Å; G122-V125 PolarHBondContact O-N 3.03Å; G122-V125 VanDerWaalsContact O-N 3.14Å; V125-I128 WeakPolarHBondContact O-CB 3.27Å; V125-I128 PolarHBondContact O-N 3.32Å; V125-G129 PolarHBondContact O-N 3.01Å
126N91Very high86.6Confident5 Ų552.8 Ų52.83%0.02728%0.28CS..Hα-helixtrans-67.4-40.8178.3-66.6-25.3000112G122 L123 I124 I128 G129 I130 V225 D228 A229 S232G122-N126 WeakPolarHBondContact O-CB 3.24Å; G122-N126 VanDerWaalsContact O-CG 3.25Å; G122-N126 PolarHBondContact O-N 3.03Å; G122-N126 PolarHBondContact O-ND2 2.88Å; L123-N126 PolarHBondContact O-N 2.87Å; I124-N126 VanDerWaalsContact C-N 3.34Å; I124-N126 PolarHBondContact O-N 3.03Å; N126-I128 PolarHBondContact O-N 3.1Å; N126-G129 CarbonylContact O-C 3.52Å; N126-G129 WeakPolarHBondContact O-CA 3.35Å; N126-G129 PolarHBondContact O-N 3.41Å; N126-G129 VanDerWaalsContact O-N 3.07Å; N126-I130 WeakPolarHBondContact O-CG1 3.29Å; N126-I130 PolarHBondContact O-N 2.9Å; N126-V225 WeakPolarHBondContact O-CG1 3.44Å; N126-D228 HydrophobicContact CB-CB 4.45Å; N126-D228 VanDerWaalsContact CG-CB 3.47Å; N126-D228 VanDerWaalsContact ND2-CB 3.31Å; N126-D228 WeakPolarHBondContact ND2-CB 3.48Å; N126-D228 PolarHBondContact ND2-O 3.25Å; N126-D228 VanDerWaalsContact ND2-O 3.14Å; N126-D228 WeakPolarHBondContact OD1-CB 3.17Å; N126-A229 HydrophobicContact CB-CB 4.16Å; N126-S232 PolarHBondContact ND2-OG 2.94Å; N126-S232 VanDerWaalsContact ND2-OG 3.07Å
127V91.6Very high84.1Confident58 Ų5854.7 Ų54.735%0.35230%0.301SS..Hα-helixtrans-61.2-42.9174.1168.30000111.5L123 I124 G129 I130 F131L123-V127 HydrophobicContact CD1-CG2 4.45Å; L123-V127 WeakPolarHBondContact O-CB 3.38Å; L123-V127 WeakPolarHBondContact O-CG2 3.34Å; L123-V127 PolarHBondContact O-N 3.01Å; I124-V127 PolarHBondContact O-N 3.19Å; V127-G129 VanDerWaalsContact C-N 3.27Å; V127-G129 PolarHBondContact O-N 3.46Å; V127-I130 PolarHBondContact O-N 3.41Å; V127-F131 HydrophobicContact CG1-CD2 3.7Å; V127-F131 HydrophobicContact CG1-CE2 3.49Å; V127-F131 VanDerWaalsContact CG1-CE2 3.49Å; V127-F131 WeakPolarHBondContact O-CD2 3.46Å; V127-F131 PolarHBondContact O-N 3.49Å
128I89.9Confident81Confident86 Ų8654.2 Ų54.244%0.44131%0.306SS..Hα-helixtrans-58.7-42.2172.7-68.9165.4000110.2L17 I124 V125 N126 F131 M132L17-I128 HydrophobicContact CD1-CG2 4.5Å; I124-I128 HydrophobicContact CG2-CD1 3.98Å; I124-I128 VanDerWaalsContact O-CG1 3.31Å; I124-I128 WeakPolarHBondContact O-CG1 3.38Å; I124-I128 PolarHBondContact O-N 2.78Å; V125-I128 WeakPolarHBondContact O-CB 3.27Å; V125-I128 PolarHBondContact O-N 3.32Å; N126-I128 PolarHBondContact O-N 3.1Å; I128-F131 PolarHBondContact O-N 3.01Å; I128-M132 WeakPolarHBondContact O-CB 3.46Å; I128-M132 PolarHBondContact O-N 3.09Å
129G87.3Confident77.8Confident2 Ų261.1 Ų61.12%0.02134%0.342CS..Hα-helixtrans-58.8-47174.900000113.1M14 V125 N126 V127 F131 M132 F133M14-G129 WeakPolarHBondContact SD-CA 3.45Å; V125-G129 PolarHBondContact O-N 3.01Å; N126-G129 CarbonylContact O-C 3.52Å; N126-G129 WeakPolarHBondContact O-CA 3.35Å; N126-G129 PolarHBondContact O-N 3.41Å; N126-G129 VanDerWaalsContact O-N 3.07Å; V127-G129 VanDerWaalsContact C-N 3.27Å; V127-G129 PolarHBondContact O-N 3.46Å; G129-F131 PolarHBondContact O-N 3.36Å; G129-M132 PolarHBondContact O-N 3.14Å; G129-F133 WeakPolarHBondContact O-CD2 3.13Å; G129-F133 PolarHBondContact O-N 3Å
130I86.4Confident74.9Confident41 Ų4166.2 Ų66.221%0.2138%0.377CS..Hα-helixtrans-57.7-50.2176-65.5174000110.2N126 V127 M132 F133 H134 F222 V225 A229N126-I130 WeakPolarHBondContact O-CG1 3.29Å; N126-I130 PolarHBondContact O-N 2.9Å; V127-I130 PolarHBondContact O-N 3.41Å; I130-M132 VanDerWaalsContact C-N 3.3Å; I130-M132 PolarHBondContact O-N 3.2Å; I130-F133 PolarHBondContact O-N 3.32Å; I130-F133 VanDerWaalsContact O-N 3.13Å; I130-H134 VanDerWaalsContact O-CB 3.24Å; I130-H134 WeakPolarHBondContact O-CB 3.41Å; I130-H134 PolarHBondContact O-N 3.3Å; I130-F222 HydrophobicContact CG2-CE2 4.37Å; I130-V225 HydrophobicContact CG1-CG1 3.6Å; I130-A229 HydrophobicContact CD1-CB 4.48Å
131F85.9Confident71.5Confident150 Ų15066.1 Ų66.166%0.65839%0.389SS*.Hα-helixtrans-62.2-38.5178.8-79.4-65.7000112.5V127 I128 G129 F133 H134V127-F131 HydrophobicContact CG1-CD2 3.7Å; V127-F131 HydrophobicContact CG1-CE2 3.49Å; V127-F131 VanDerWaalsContact CG1-CE2 3.49Å; V127-F131 WeakPolarHBondContact O-CD2 3.46Å; V127-F131 PolarHBondContact O-N 3.49Å; I128-F131 PolarHBondContact O-N 3.01Å; G129-F131 PolarHBondContact O-N 3.36Å; F131-F133 PolarHBondContact O-N 3.02Å; F131-H134 PolarHBondContact O-N 3.45Å
132M81.7Confident68.3Low43 Ų4370.6 Ų70.621%0.21241%0.408CS..Hα-helixtrans-66.1-28.2177.9-162177.175.500112.1R10 V13 M14 I128 G129 I130R10-M132 HydrophobicContact CB-CE 3.89Å; R10-M132 HydrophobicContact CB-SD 4.38Å; R10-M132 HydrophobicContact CG-CE 4.29Å; R10-M132 HydrophobicContact CG-CG 4.17Å; R10-M132 HydrophobicContact CG-SD 4.16Å; R10-M132 PolarHBondContact NE-O 3.02Å; R10-M132 PolarHBondContact NH2-O 2.69Å; R10-M132 WeakPolarHBondContact O-CE 3.47Å; V13-M132 HydrophobicContact CB-SD 4.41Å; V13-M132 HydrophobicContact CG1-SD 4.09Å; M14-M132 HydrophobicContact CB-CE 4.19Å; M14-M132 HydrophobicContact CE-CB 4.18Å; M14-M132 HydrophobicContact CE-CE 3.11Å; M14-M132 HydrophobicContact CE-SD 3.6Å; M14-M132 HydrophobicContact CG-CE 3.22Å; M14-M132 HydrophobicContact SD-CE 3.63Å; I128-M132 WeakPolarHBondContact O-CB 3.46Å; I128-M132 PolarHBondContact O-N 3.09Å; G129-M132 PolarHBondContact O-N 3.14Å; I130-M132 VanDerWaalsContact C-N 3.3Å; I130-M132 PolarHBondContact O-N 3.2Å
133F74.1Confident65Low16 Ų1674.1 Ų74.17%0.0745%0.445CS..Hα-helixtrans-90.9-30.4174.7-69.6-61.8000115.1M14 G129 I130 F131 G135 M218 V221 V225M14-F133 HydrophobicContact CB-CE2 4.47Å; M14-F133 HydrophobicContact CB-CZ 4.3Å; M14-F133 HydrophobicContact CG-CD2 4.4Å; M14-F133 HydrophobicContact CG-CE2 3.29Å; M14-F133 HydrophobicContact CG-CZ 3.36Å; M14-F133 HydrophobicContact SD-CE2 3.84Å; M14-F133 HydrophobicContact SD-CZ 4.47Å; G129-F133 WeakPolarHBondContact O-CD2 3.13Å; G129-F133 PolarHBondContact O-N 3Å; I130-F133 PolarHBondContact O-N 3.32Å; I130-F133 VanDerWaalsContact O-N 3.13Å; F131-F133 PolarHBondContact O-N 3.02Å; F133-G135 VanDerWaalsContact C-N 3.3Å; F133-G135 PolarHBondContact O-N 3.39Å; F133-M218 HydrophobicContact CD1-CE 3.32Å; F133-M218 HydrophobicContact CE1-CE 3.5Å; F133-M218 VanDerWaalsContact CE1-CE 3.5Å; F133-M218 HydrophobicContact CE1-SD 4.48Å; F133-M218 HydrophobicContact CG-CE 4.48Å; F133-V221 HydrophobicContact CD2-CG1 4.09Å; F133-V221 HydrophobicContact CE1-CG1 3.98Å; F133-V221 HydrophobicContact CE2-CG1 3.4Å; F133-V221 VanDerWaalsContact CE2-CG1 3.4Å; F133-V221 HydrophobicContact CZ-CG1 3.35Å; F133-V225 HydrophobicContact CD2-CG2 4.3Å; F133-V225 HydrophobicContact CE2-CG2 4.18Å
134H70Confident61.8Low87 Ų8778.8 Ų78.840%0.40347%0.465SS..Hα-helixtrans-67.1-26.2-175.4-169.382.6000113.8I130 F131 H136 A137I130-H134 VanDerWaalsContact O-CB 3.24Å; I130-H134 WeakPolarHBondContact O-CB 3.41Å; I130-H134 PolarHBondContact O-N 3.3Å; F131-H134 PolarHBondContact O-N 3.45Å; H134-H136 PolarHBondContact O-N 3.41Å; H134-A137 PolarHBondContact O-N 3.42Å
135G55.8Low58.5Low51 Ų5179.7 Ų79.753%0.52648%0.48SS..THydrogen-bonded Turntrans-56.7-517900000116.3F133F133-G135 VanDerWaalsContact C-N 3.3Å; F133-G135 PolarHBondContact O-N 3.39Å
136H50.5Low55.6Low121 Ų12187.1 Ų87.156%0.5651%0.513SS*.THydrogen-bonded Turntrans-120.9-2.5170.8-78.1-80.1000115.4R10 H134R10-H136 PolarHBondContact NH1-CD2 2.95Å; H134-H136 PolarHBondContact O-N 3.41Å
137A43.7Very low52.6Low81 Ų8190.3 Ų90.367%0.66955%0.547SS*.THydrogen-bonded Turntrans-79.6-32.5175.400000112.2H134H134-A137 PolarHBondContact O-N 3.42Å
138S32.5Very low49.5Very low81 Ų8197.4 Ų97.457%0.56657%0.573SS**SBendtrans-101.7-13.4-17767.70000115.5
139L29.9Very low46.3Very low150 Ų150102.3 Ų102.379%0.78559%0.586SS**SBendtrans-121.641.3-173-14081000114.4
140S33.6Very low43.2Very low106 Ų106109.9 Ų109.974%0.74163%0.625SS**  trans-129.923.1164.5-162.70000113.1
141G26.2Very low40.3Very low62 Ų62113.6 Ų113.664%0.63965%0.649SS**SBendtrans-108.174.7156.600000108.5
142H28.9Very low37.3Very low174 Ų174111 Ų11181%0.80665%0.649SS**  trans172.879.9154.3-98.179.2000108.3
143G24.9Very low34.5Very low74 Ų74114.1 Ų114.176%0.76368%0.676SS**  trans-138.470.5172.700000109S145G143-S145 PolarHBondContact O-N 3.32Å
144H25.8Very low32.2Very low150 Ų150119.6 Ų119.669%0.69471%0.71SS**  trans-60.6114.9167.8-68.7-83.8000108.9
145S26.9Very low29.8Very low116 Ų116120.7 Ų120.781%0.81173%0.728SS**  trans-143.590.2160.4179.80000109.2G143 G147G143-S145 PolarHBondContact O-N 3.32Å; S145-G147 PolarHBondContact O-N 2.94Å
146H30.5Very low28.2Very low176 Ų176126.9 Ų126.982%0.81574%0.743SS**  trans-63.2109170.4-72.3-94000110.2
147G28.4Very low26.8Very low72 Ų72129.9 Ų129.974%0.74276%0.757SS**  trans-114.292.7170.400000110.6S145 R149S145-G147 PolarHBondContact O-N 2.94Å; G147-R149 PolarHBondContact O-N 3.15Å
148K26Very low25.8Very low207 Ų207133.9 Ų133.990%0.977%0.767SS**  trans-32119.9-179.4-71.3170.5174.4175.10115.3
149R23Very low25.2Very low189 Ų189139.2 Ų139.271%0.71378%0.783SS**  trans-88.1110.8158.1-158175.7-172.2-176.5-1.7106.9G147 V151G147-R149 PolarHBondContact O-N 3.15Å; R149-V151 HydrophobicContact CG-CG2 4.3Å; R149-V151 PolarHBondContact O-N 3.04Å; R149-V151 VanDerWaalsContact O-N 3.16Å
150L23.4Very low25Very low161 Ų161141.7 Ų141.784%0.84379%0.788SS**  trans-71.597.4170.3-117.6153.6000106.8
151V23.7Very low24.3Very low118 Ų118145.9 Ų145.972%0.71580%0.796SS**  trans-103.1102.11631770000105.5R149 S153R149-V151 HydrophobicContact CG-CG2 4.3Å; R149-V151 PolarHBondContact O-N 3.04Å; R149-V151 VanDerWaalsContact O-N 3.16Å; V151-S153 PolarHBondContact O-N 3.24Å
152S24.8Very low24.2Very low95 Ų95146.2 Ų146.266%0.66480%0.799SS**  trans-65.8124.3166.1-71.10000108.3V154S152-V154 PolarHBondContact O-N 2.83Å
153S21.6Very low23.9Very low110 Ų110143.5 Ų143.577%0.76980%0.8SS**  trans-48.6119.7164.246.90000111.5V151V151-S153 PolarHBondContact O-N 3.24Å
154V25.3Very low24Very low130 Ų130147.6 Ų147.679%0.78880%0.803SS**  trans-121.2108.2146.1178.60000105.6S152S152-V154 PolarHBondContact O-N 2.83Å
155S19.4Very low23.8Very low110 Ų110149 Ų14977%0.76981%0.81SS**  trans-73.511617034.80000109.2
156E23.6Very low23.8Very low182 Ų182152.1 Ų152.185%0.8581%0.811SS**  trans-139.4131.5153.2-71.6-169130.700108.8
157Q19.8Very low23.6Very low183 Ų183151.9 Ų151.986%0.85582%0.815SS**  trans-63.8141.6179.4-68152.2-64.300109.9
158D23.7Very low23.3Very low165 Ų165156.4 Ų156.488%0.88282%0.823SS**  trans-165.7140.5133.7-92.7-28.6000110.6
159E20.2Very low23.3Very low194 Ų194151.5 Ų151.591%0.90781%0.814SS**  trans-71.4131.1-166.8-59.3178.8141.700112.6
160F25.1Very low23.4Very low202 Ų202151.4 Ų151.489%0.88683%0.827SS**  trans-145.9105.6153.8-163.6-106.1000110.5
161E18.8Very low23.4Very low193 Ų193150 Ų15090%0.90283%0.831SS**  trans-64.6128.8169.3-101.1176.7127.200110.9
162G23.8Very low23.4Very low69 Ų69147.9 Ų147.971%0.71183%0.833SS**  trans179.295.4173.700000111.9
163S22.8Very low23.5Very low117 Ų117147.6 Ų147.682%0.81884%0.836SS**  trans-40.9137.2179.2-48.90000115.8
164I26.3Very low23.6Very low161 Ų161150.9 Ų150.983%0.82684%0.839SS**  179.8116.9105.2-86.7164000109
165E23.4Very low23.6Very low179 Ų179151.2 Ų151.284%0.83684%0.836SS**  trans-57.1129.6163.3-59.4175.1130.400110.6
166Q26.2Very low23.9Very low181 Ų181152.6 Ų152.685%0.84683%0.834SS**  trans157.682.3141.2-88.41736.100110
167L26.4Very low23.9Very low171 Ų171148.6 Ų148.690%0.89583%0.826SS**  trans-179.942.4141.1-102.3146000112.2S169L167-S169 PolarHBondContact O-N 2.92Å
168N22.3Very low24Very low168 Ų168146.3 Ų146.390%0.89882%0.824SS**  trans-92.984.1159.3-99.4-5.4000108.3
169S24.9Very low24.2Very low104 Ų104147 Ų14773%0.72783%0.827SS**  trans-168.470162.9-800000109.7L167L167-S169 PolarHBondContact O-N 2.92Å
170L25.6Very low24.4Very low187 Ų187141.9 Ų141.998%0.97982%0.818SS**  trans-174.767.1146.8-12186.3000109.5
171S24.5Very low24.4Very low131 Ų131139.1 Ų139.192%0.91681%0.812SS**  trans-124.999.3166.9-171.80000108.2
172G23.6Very low24.6Very low74 Ų74134.6 Ų134.676%0.76380%0.802SS**  trans-125.7117.3175.900000110.2
173A26.2Very low25Very low89 Ų89138.4 Ų138.474%0.73681%0.811SS**  trans54111.7152.800000118.8
174H24.3Very low25Very low178 Ų178142 Ų14282%0.82481%0.812SS**  57.1113.179.2-76.4-95.3000115.3
175N24Very low24.8Very low138 Ų138139.5 Ų139.574%0.73881%0.809SS**  166.4129.7118.5-89.3-20.2000116.8
176I25.8Very low24.8Very low139 Ų139138.1 Ų138.171%0.71381%0.807SS**  89.5132.2126.1-64.6168.8000123.4
177S23.5Very low24.7Very low98 Ų98135.3 Ų135.369%0.68580%0.802SS**  trans70107.2155.7690000118.7
178V23.7Very low24.5Very low135 Ų135135.9 Ų135.982%0.81880%0.798SS**  68.398.375.6-178.80000112.4
179L26.4Very low24.6Very low178 Ų178134.1 Ų134.193%0.93279%0.788SS**  trans-140.481.8154.5-117.5157.5000106.2
180A24.6Very low24.7Very low88 Ų88135.3 Ų135.373%0.72779%0.787SS**  trans-94.3118.316000000105.7
181D24.7Very low24.6Very low143 Ų143132.7 Ų132.777%0.76578%0.778SS**  trans-155.4129.5146.9-139.7-19.8000112.7
182S24.2Very low24.6Very low98 Ų98132.4 Ų132.469%0.68577%0.771SS**  trans60.4111148.9-70.70000120.5
183V31.2Very low24.9Very low149 Ų149136.2 Ų136.290%0.90377%0.774SS**  -161.4135.5102.7169.60000109.8
184K24.3Very low24.9Very low193 Ų193140.9 Ų140.984%0.83978%0.78SS**  trans-64.2147.4-170.8-74170171.5174.60116.1
185S20.2Very low25Very low109 Ų109138.5 Ų138.576%0.76278%0.784SS**  trans-51.8138150.6-52.20000112.2
186D24.4Very low25.3Very low150 Ų150136 Ų13680%0.80278%0.782SS**  trans-162.5122.3141.9-92.7-32.8000111.7
187V25.1Very low25.3Very low122 Ų122141.3 Ų141.374%0.73979%0.793SS**  trans74.7100.1135.9-1730000120.5
188F20.8Very low25.4Very low183 Ų183147.9 Ų147.980%0.80380%0.803SS**  trans-22.6121.2136.5-158.4-97.3000115.9
189N25.3Very low25.5Very low130 Ų130151.2 Ų151.270%0.69581%0.806SS**  trans-165.5120.7143.1-98.5-20.7000113
190N25.6Very low25.5Very low130 Ų130153.8 Ų153.870%0.69580%0.804SS**  trans58.1107.6141-62.2-14.3000121.9
191V23.9Very low25.6Very low132 Ų132156.4 Ų156.480%0.881%0.806SS**  -3.4115126.4-175.20000115.4
192T25.9Very low26Very low125 Ų125158.2 Ų158.277%0.76780%0.803SS**  177.2150.6125.427.40000109.5
193N29.4Very low26.1Very low153 Ų153162.2 Ų162.282%0.81881%0.808SS**  trans86.377.2176.9-58.8-11.8000116.8
194E24.8Very low26Very low188 Ų188161.9 Ų161.988%0.87980%0.801SS**  trans-43.5146.1134.1-83.2173.211200110.9
195S27.2Very low26.5Very low127 Ų127157 Ų15789%0.88879%0.789SS**  trans94.149.7177.9-41.10000117
196A29.8Very low27Very low85 Ų85161 Ų16170%0.70279%0.792SS**  trans-14587.5151.600000110.2R198A196-R198 PolarHBondContact O-N 3.32Å
197R26.8Very low27.4Very low251 Ų251160.4 Ų160.495%0.94779%0.789SS**  trans-4.185.4155-146.5174.7-171.7-164.92.8113.6K199R197-K199 PolarHBondContact O-N 3Å
198R25.6Very low27.9Very low236 Ų236160.9 Ų160.989%0.89179%0.786SS**  trans-63.399.5172.5-77.6-176.7-177.7177.41.1108.2A196 R200A196-R198 PolarHBondContact O-N 3.32Å; R198-R200 PolarHBondContact O-N 3.43Å
199K25Very low28.4Very low205 Ų205156.1 Ų156.189%0.89177%0.773SS**  trans-55.896.6150.9-85.1-179.6176177.60105.5R197 D201R197-K199 PolarHBondContact O-N 3Å; K199-D201 VanDerWaalsContact C-N 3.28Å; K199-D201 PolarHBondContact O-N 3.44Å
200R27.7Very low29.2Very low232 Ų232152.7 Ų152.788%0.87576%0.755SS**  trans-62.9101.2163.4-97.1-179-90165.7-7.1105.1R198 Y202R198-R200 PolarHBondContact O-N 3.43Å; R200-Y202 PolarHBondContact O-N 2.92Å
201D26.8Very low29.7Very low144 Ų144151.1 Ų151.177%0.7775%0.746SS**  trans-61.888.1165.5-168.534000106.4K199 K203K199-D201 VanDerWaalsContact C-N 3.28Å; K199-D201 PolarHBondContact O-N 3.44Å; D201-K203 VanDerWaalsContact C-N 3.28Å; D201-K203 PolarHBondContact O-N 2.92Å
202Y31.8Very low30.5Very low181 Ų181147.9 Ų147.971%0.7173%0.726SS**  trans-67.398.5169.4-165.1-100.9000104.4R200 D204 P205R200-Y202 PolarHBondContact O-N 2.92Å; Y202-D204 VanDerWaalsContact C-N 3.31Å; Y202-D204 PolarHBondContact O-N 3.4Å; Y202-P205 HydrophobicContact CE1-CG 3.87Å
203K26.5Very low31.2Very low181 Ų181142.3 Ų142.379%0.78769%0.692SS**  trans-51.8103.9167.1-86.6-179174.8176.80106.3D201 P205D201-K203 VanDerWaalsContact C-N 3.28Å; D201-K203 PolarHBondContact O-N 2.92Å; K203-P205 WeakPolarHBondContact O-CD 3.41Å
204D29.5Very low32.1Very low143 Ų143136.9 Ų136.977%0.76567%0.665SS**  trans-43.8117.2175.3-104.5-34.6000107.6Y202 K206Y202-D204 VanDerWaalsContact C-N 3.31Å; Y202-D204 PolarHBondContact O-N 3.4Å; D204-K206 VanDerWaalsContact C-N 3.31Å; D204-K206 PolarHBondContact O-N 2.96Å
205P33.7Very low33.3Very low89 Ų89133.1 Ų133.158%0.57865%0.647SS**  trans-60.9104.7170.8-14.626.9000105.3Y202 K203 L207Y202-P205 HydrophobicContact CE1-CG 3.87Å; K203-P205 WeakPolarHBondContact O-CD 3.41Å; P205-L207 PolarHBondContact O-N 3.35Å
206K30.6Very low34.3Very low193 Ų193131.2 Ų131.284%0.83963%0.625SS**  trans0.593.2169.4-66.2174.9-179.2177.10110.7D204 I208D204-K206 VanDerWaalsContact C-N 3.31Å; D204-K206 PolarHBondContact O-N 2.96Å; K206-I208 VanDerWaalsContact C-N 3.33Å; K206-I208 PolarHBondContact O-N 3.12Å
207L34.1Very low35.6Very low139 Ų139128.9 Ų128.973%0.72860%0.601SS**  trans-40.7101.1173.4179.174.2000107.3P205 P209P205-L207 PolarHBondContact O-N 3.35Å; L207-P209 WeakPolarHBondContact O-CD 3.37Å
208I34.4Very low37.3Very low131 Ų131119.4 Ų119.467%0.67257%0.568SS**  trans-57.8110.5172.5-62.3173.7000102.8K206 D210K206-I208 VanDerWaalsContact C-N 3.33Å; K206-I208 PolarHBondContact O-N 3.12Å; I208-D210 PolarHBondContact O-N 3.33Å
209P32.9Very low39Very low83 Ų83113.7 Ų113.754%0.53955%0.551SS.*  trans-59.3143.7-172.6-15.627.6000107.3L207 I211L207-P209 WeakPolarHBondContact O-CD 3.37Å; P209-I211 HydrophobicContact CB-CG1 4.26Å; P209-I211 VanDerWaalsContact O-CG1 3.3Å; P209-I211 WeakPolarHBondContact O-CG1 3.43Å; P209-I211 PolarHBondContact O-N 2.98Å
210D40.5Very low41.1Very low59 Ų59105 Ų10532%0.31652%0.52SS..  trans-61.769.3178-68.9-47.9000111.8I208 T214 K338I208-D210 PolarHBondContact O-N 3.33Å; D210-T214 WeakPolarHBondContact O-CB 3.29Å; D210-T214 PolarHBondContact O-OG1 3.46Å; D210-K338 VanDerWaalsContact OD1-CE 3.29Å; D210-K338 WeakPolarHBondContact OD1-CE 3.49Å; D210-K338 IonicContact OD1-NZ 2.99Å; D210-K338 PolarHBondContact OD1-NZ 3.31Å
211I37.2Very low43.1Very low97 Ų9794.6 Ų94.650%0.49748%0.482SS..THydrogen-bonded Turntrans-77.8-34-177.5-60.6155.9000109.4P209 Q215P209-I211 HydrophobicContact CB-CG1 4.26Å; P209-I211 VanDerWaalsContact O-CG1 3.3Å; P209-I211 WeakPolarHBondContact O-CG1 3.43Å; P209-I211 PolarHBondContact O-N 2.98Å; I211-Q215 VanDerWaalsContact O-CG 3.27Å; I211-Q215 WeakPolarHBondContact O-CG 3.5Å
212T40.6Very low45.3Very low64 Ų6491.1 Ų91.139%0.39346%0.46SS..THydrogen-bonded Turntrans-90.1-32.1-175.631.50000115.3Q215 N337T212-Q215 VanDerWaalsContact O-CB 3.3Å; T212-Q215 WeakPolarHBondContact O-CB 3.49Å; T212-Q215 PolarHBondContact O-N 3.12Å; T212-N337 WeakPolarHBondContact CB-ND2 3.47Å
213S41.3Very low47.2Very low8 Ų884.6 Ų84.66%0.05644%0.438CS..Hα-helixtrans-75.3-39.3175.971.80000111.5E77 Q215 M216E77-S213 VanDerWaalsContact OE1-C 3.27Å; E77-S213 VanDerWaalsContact OE1-CB 3.29Å; E77-S213 WeakPolarHBondContact OE1-CB 3.21Å; E77-S213 VanDerWaalsContact OE1-O 3.05Å; E77-S213 PolarHBondContact OE2-OG 2.92Å; S213-Q215 PolarHBondContact O-N 2.94Å; S213-M216 PolarHBondContact O-N 3.25Å
214T47.3Very low49.6Very low39 Ų3977.1 Ų77.124%0.23941%0.405CS..Hα-helixtrans-52.9-27167.4-49.90000111.9D210 M218D210-T214 WeakPolarHBondContact O-CB 3.29Å; D210-T214 PolarHBondContact O-OG1 3.46Å; T214-M218 HydrophobicContact CG2-CG 4.03Å; T214-M218 WeakPolarHBondContact O-CB 3.45Å; T214-M218 WeakPolarHBondContact O-CG 3.4Å; T214-M218 PolarHBondContact O-N 3.07Å; T214-M218 VanDerWaalsContact O-N 3.14Å
215Q49.4Very low52.2Low108 Ų10870.9 Ų70.951%0.50537%0.372SS..Hα-helixtrans-68.7-33.1175-72167.52.500113.5I211 T212 S213 M218 H219I211-Q215 VanDerWaalsContact O-CG 3.27Å; I211-Q215 WeakPolarHBondContact O-CG 3.5Å; T212-Q215 VanDerWaalsContact O-CB 3.3Å; T212-Q215 WeakPolarHBondContact O-CB 3.49Å; T212-Q215 PolarHBondContact O-N 3.12Å; S213-Q215 PolarHBondContact O-N 2.94Å; Q215-M218 PolarHBondContact O-N 3.48Å; Q215-H219 WeakPolarHBondContact O-CB 3.47Å; Q215-H219 PolarHBondContact O-N 2.85Å
216M49.7Very low54.4Low87 Ų8769.6 Ų69.643%0.42936%0.36SS..Hα-helixtrans-63.1-48.2-179.4-70.4-174.864.300110.9S213 G220S213-M216 PolarHBondContact O-N 3.25Å; M216-G220 PolarHBondContact O-N 3.14Å; M216-G220 VanDerWaalsContact O-N 3.12Å
217N57.2Low56.9Low37 Ų3760.5 Ų60.520%0.19832%0.322CS..Hα-helixtrans-70.1-38.8178.1-74.80.6000112.1G220 V221N217-G220 PolarHBondContact O-N 2.91Å; N217-V221 VanDerWaalsContact O-CG2 3.31Å; N217-V221 WeakPolarHBondContact O-CG2 3.21Å; N217-V221 PolarHBondContact O-N 2.98Å
218M62.6Low59.3Low52 Ų5254 Ų5426%0.25629%0.287SS..Hα-helixtrans-70.5-35.4-179.4-67.8-65.5-55.700112.8F133 T214 Q215 G220 V221 F222F133-M218 HydrophobicContact CD1-CE 3.32Å; F133-M218 HydrophobicContact CE1-CE 3.5Å; F133-M218 VanDerWaalsContact CE1-CE 3.5Å; F133-M218 HydrophobicContact CE1-SD 4.48Å; F133-M218 HydrophobicContact CG-CE 4.48Å; T214-M218 HydrophobicContact CG2-CG 4.03Å; T214-M218 WeakPolarHBondContact O-CB 3.45Å; T214-M218 WeakPolarHBondContact O-CG 3.4Å; T214-M218 PolarHBondContact O-N 3.07Å; T214-M218 VanDerWaalsContact O-N 3.14Å; Q215-M218 PolarHBondContact O-N 3.48Å; M218-G220 VanDerWaalsContact C-N 3.34Å; M218-V221 PolarHBondContact O-N 2.92Å; M218-F222 PolarHBondContact O-N 3.5Å
219H61.2Low61.9Low116 Ų11648.4 Ų48.454%0.53726%0.261SS..Hα-helixtrans-66.2-40.3172.8-174.6-90.4000110.9Q215 F222 L223Q215-H219 WeakPolarHBondContact O-CB 3.47Å; Q215-H219 PolarHBondContact O-N 2.85Å; H219-F222 PolarHBondContact O-N 3.38Å; H219-L223 VanDerWaalsContact CE1-CD1 3.41Å; H219-L223 WeakPolarHBondContact CE1-CD1 3.35Å; H219-L223 WeakPolarHBondContact O-CG 3.32Å; H219-L223 PolarHBondContact O-N 3.42Å
220G67.6Low64.5Low23 Ų2349.4 Ų49.424%0.23726%0.257CS..Hα-helixtrans-54.1-55.7169.100000111.1M216 N217 M218 F222 L223 H224M216-G220 PolarHBondContact O-N 3.14Å; M216-G220 VanDerWaalsContact O-N 3.12Å; N217-G220 PolarHBondContact O-N 2.91Å; M218-G220 VanDerWaalsContact C-N 3.34Å; G220-F222 VanDerWaalsContact C-N 3.27Å; G220-F222 PolarHBondContact O-N 2.86Å; G220-L223 PolarHBondContact O-N 3.41Å; G220-L223 VanDerWaalsContact O-N 3.12Å; G220-H224 PolarHBondContact O-CD2 3.33Å; G220-H224 PolarHBondContact O-N 3.01Å
221V71Confident66.9Low12 Ų1246.6 Ų46.67%0.07324%0.242CC..Hα-helixtrans-57-38178.9173.80000112.6L11 L51 F133 N217 M218 H224 V225L11-V221 HydrophobicContact CD1-CG2 4.46Å; L51-V221 HydrophobicContact CD2-CB 4.48Å; L51-V221 HydrophobicContact CD2-CG1 3.84Å; L51-V221 HydrophobicContact CD2-CG2 3.74Å; F133-V221 HydrophobicContact CD2-CG1 4.09Å; F133-V221 HydrophobicContact CE1-CG1 3.98Å; F133-V221 HydrophobicContact CE2-CG1 3.4Å; F133-V221 VanDerWaalsContact CE2-CG1 3.4Å; F133-V221 HydrophobicContact CZ-CG1 3.35Å; N217-V221 VanDerWaalsContact O-CG2 3.31Å; N217-V221 WeakPolarHBondContact O-CG2 3.21Å; N217-V221 PolarHBondContact O-N 2.98Å; M218-V221 PolarHBondContact O-N 2.92Å; V221-H224 WeakPolarHBondContact O-CB 3.49Å; V221-H224 PolarHBondContact O-N 3.25Å; V221-V225 WeakPolarHBondContact O-CG2 3.27Å; V221-V225 PolarHBondContact O-N 2.92Å; V221-V225 VanDerWaalsContact O-N 3.1Å
222F73Confident69.5Low72 Ų7242 Ų4232%0.31622%0.218SC..Hα-helixtrans-66.6-45.1176174.1-98.4000112.7I130 M218 H219 G220 H224 V225 L226I130-F222 HydrophobicContact CG2-CE2 4.37Å; M218-F222 PolarHBondContact O-N 3.5Å; H219-F222 PolarHBondContact O-N 3.38Å; G220-F222 VanDerWaalsContact C-N 3.27Å; G220-F222 PolarHBondContact O-N 2.86Å; F222-H224 VanDerWaalsContact C-N 3.27Å; F222-H224 PolarHBondContact O-N 3.32Å; F222-V225 PolarHBondContact O-N 2.99Å; F222-L226 PolarHBondContact O-N 3.24Å
223L71.5Confident72Confident44 Ų4442 Ų4223%0.2322%0.218CC..Hα-helixtrans-63.7-34.4176.3-73.5179.3000112.1H219 G220 L226 G227H219-L223 VanDerWaalsContact CE1-CD1 3.41Å; H219-L223 WeakPolarHBondContact CE1-CD1 3.35Å; H219-L223 WeakPolarHBondContact O-CG 3.32Å; H219-L223 PolarHBondContact O-N 3.42Å; G220-L223 PolarHBondContact O-N 3.41Å; G220-L223 VanDerWaalsContact O-N 3.12Å; L223-L226 PolarHBondContact O-N 2.85Å; L223-G227 PolarHBondContact O-N 3.43Å
224H77.4Confident74.4Confident24 Ų2442.7 Ų42.711%0.11122%0.221CC..Hα-helixtrans-59.7-56.5172.9-79.1-60.4000111.6D47 L88 G220 V221 F222 L226 G227 D228D47-H224 IonicContact OD1-CE1 2.7Å; D47-H224 IonicContact OD1-CG 2.74Å; D47-H224 IonicContact OD1-ND1 4Å; D47-H224 PolarHBondContact OD1-ND1 2.86Å; D47-H224 WeakPolarHBondContact OD2-CB 3.31Å; D47-H224 IonicContact OD2-CG 2.9Å; D47-H224 IonicContact OD2-ND1 3.59Å; L88-H224 VanDerWaalsContact CD1-CE1 3.47Å; L88-H224 WeakPolarHBondContact CD1-CE1 2.96Å; G220-H224 PolarHBondContact O-CD2 3.33Å; G220-H224 PolarHBondContact O-N 3.01Å; V221-H224 WeakPolarHBondContact O-CB 3.49Å; V221-H224 PolarHBondContact O-N 3.25Å; F222-H224 VanDerWaalsContact C-N 3.27Å; F222-H224 PolarHBondContact O-N 3.32Å; H224-L226 PolarHBondContact O-N 3.48Å; H224-L226 VanDerWaalsContact O-N 3.16Å; H224-G227 CarbonylContact O-C 3.54Å; H224-G227 VanDerWaalsContact O-CA 3.29Å; H224-G227 WeakPolarHBondContact O-CA 3.34Å; H224-G227 PolarHBondContact O-N 2.84Å; H224-D228 PolarHBondContact O-N 3.5Å
225V82.3Confident76.6Confident11 Ų1140.8 Ų40.87%0.06721%0.209CC..Hα-helixtrans-59.7-32.8178.4178.40000112.2N126 I130 F133 V221 F222 A229N126-V225 WeakPolarHBondContact O-CG1 3.44Å; I130-V225 HydrophobicContact CG1-CG1 3.6Å; F133-V225 HydrophobicContact CD2-CG2 4.3Å; F133-V225 HydrophobicContact CE2-CG2 4.18Å; V221-V225 WeakPolarHBondContact O-CG2 3.27Å; V221-V225 PolarHBondContact O-N 2.92Å; V221-V225 VanDerWaalsContact O-N 3.1Å; F222-V225 PolarHBondContact O-N 2.99Å; V225-A229 PolarHBondContact O-N 3.22Å; V225-A229 VanDerWaalsContact O-N 3.08Å
226L81.4Confident78.8Confident62 Ų6236.8 Ų36.833%0.32519%0.191SC..Hα-helixtrans-67.6-39.5173.1-175.568.4000111.8F222 L223 H224 A229 F230F222-L226 PolarHBondContact O-N 3.24Å; L223-L226 PolarHBondContact O-N 2.85Å; H224-L226 PolarHBondContact O-N 3.48Å; H224-L226 VanDerWaalsContact O-N 3.16Å; L226-A229 PolarHBondContact O-N 3.35Å; L226-F230 HydrophobicContact CD1-CE2 4.11Å; L226-F230 HydrophobicContact CD2-CE2 4.35Å; L226-F230 HydrophobicContact CG-CD2 4.23Å; L226-F230 HydrophobicContact CG-CE2 3.91Å; L226-F230 WeakPolarHBondContact O-CD2 3.38Å; L226-F230 PolarHBondContact O-N 3.47Å
227G81.5Confident80.9Confident3 Ų335.7 Ų35.73%0.03119%0.189CC..Hα-helixtrans-58.5-47.3171.500000112.2L223 H224 A229 F230 G231L223-G227 PolarHBondContact O-N 3.43Å; H224-G227 CarbonylContact O-C 3.54Å; H224-G227 VanDerWaalsContact O-CA 3.29Å; H224-G227 WeakPolarHBondContact O-CA 3.34Å; H224-G227 PolarHBondContact O-N 2.84Å; G227-A229 VanDerWaalsContact C-N 3.3Å; G227-A229 PolarHBondContact O-N 3.43Å; G227-F230 WeakPolarHBondContact O-CB 3.37Å; G227-F230 PolarHBondContact O-N 3.26Å; G227-F230 VanDerWaalsContact O-N 3.09Å; G227-G231 PolarHBondContact O-N 3.17Å
228D85.8Confident82.6Confident2 Ų234 Ų341%0.01118%0.18CC..Hα-helixtrans-58.4-42.1175.9-64.4-27.6000111.8H43 M44 D47 N126 H224 F230 G231 S232H43-D228 IonicContact CE1-OD1 3.32Å; H43-D228 PolarHBondContact CE1-OD1 2.98Å; H43-D228 IonicContact CG-OD1 3.64Å; H43-D228 IonicContact ND1-OD1 2.75Å; H43-D228 PolarHBondContact ND1-OD1 2.67Å; M44-D228 HydrophobicContact SD-CB 3.92Å; D47-D228 VanDerWaalsContact OD2-OD1 3.07Å; D47-D228 VanDerWaalsContact OD2-OD2 3.12Å; N126-D228 HydrophobicContact CB-CB 4.45Å; N126-D228 VanDerWaalsContact CG-CB 3.47Å; N126-D228 VanDerWaalsContact ND2-CB 3.31Å; N126-D228 WeakPolarHBondContact ND2-CB 3.48Å; N126-D228 PolarHBondContact ND2-O 3.25Å; N126-D228 VanDerWaalsContact ND2-O 3.14Å; N126-D228 WeakPolarHBondContact OD1-CB 3.17Å; H224-D228 PolarHBondContact O-N 3.5Å; D228-F230 VanDerWaalsContact C-N 3.3Å; D228-F230 PolarHBondContact O-N 3.1Å; D228-G231 PolarHBondContact O-N 3Å; D228-S232 PolarHBondContact O-N 3.4Å; D228-S232 PolarHBondContact O-OG 3.11Å
229A88.8Confident84Confident13 Ų1331.5 Ų31.511%0.10717%0.168CC..Hα-helixtrans-61.6-38.9177.200000112L123 N126 I130 V225 L226 G227 V233L123-A229 HydrophobicContact CD1-CB 4.46Å; N126-A229 HydrophobicContact CB-CB 4.16Å; I130-A229 HydrophobicContact CD1-CB 4.48Å; V225-A229 PolarHBondContact O-N 3.22Å; V225-A229 VanDerWaalsContact O-N 3.08Å; L226-A229 PolarHBondContact O-N 3.35Å; G227-A229 VanDerWaalsContact C-N 3.3Å; G227-A229 PolarHBondContact O-N 3.43Å; A229-V233 VanDerWaalsContact O-CG2 3.31Å; A229-V233 WeakPolarHBondContact O-CG2 3.36Å; A229-V233 PolarHBondContact O-N 3.02Å
230F87.8Confident85.6Confident105 Ų10528.9 Ų28.946%0.46116%0.157SC..Hα-helixtrans-68.2-38.8173.6-79-65.6000112.4L226 G227 D228 V233 I234L226-F230 HydrophobicContact CD1-CE2 4.11Å; L226-F230 HydrophobicContact CD2-CE2 4.35Å; L226-F230 HydrophobicContact CG-CD2 4.23Å; L226-F230 HydrophobicContact CG-CE2 3.91Å; L226-F230 WeakPolarHBondContact O-CD2 3.38Å; L226-F230 PolarHBondContact O-N 3.47Å; G227-F230 WeakPolarHBondContact O-CB 3.37Å; G227-F230 PolarHBondContact O-N 3.26Å; G227-F230 VanDerWaalsContact O-N 3.09Å; D228-F230 VanDerWaalsContact C-N 3.3Å; D228-F230 PolarHBondContact O-N 3.1Å; F230-V233 PolarHBondContact O-N 3.46Å; F230-I234 WeakPolarHBondContact O-CG1 3.42Å; F230-I234 PolarHBondContact O-N 3.15Å
231G89.8Confident86.7Confident0 Ų030.2 Ų30.20%016%0.158CC..Hα-helixtrans-55.8-52.8173.300000112.2D40 G227 D228 V233 I234 V235D40-G231 WeakPolarHBondContact OD1-CA 3.49Å; G227-G231 PolarHBondContact O-N 3.17Å; D228-G231 PolarHBondContact O-N 3Å; G231-V233 VanDerWaalsContact C-N 3.29Å; G231-V233 PolarHBondContact O-N 3.49Å; G231-I234 WeakPolarHBondContact O-CB 3.41Å; G231-I234 PolarHBondContact O-N 2.87Å; G231-V235 WeakPolarHBondContact O-CG2 3.08Å; G231-V235 PolarHBondContact O-N 2.93Å
232S92.4Very high87.6Confident0 Ų030 Ų300%016%0.157CC..Hα-helixtrans-60.1-37177.9-55.40000112.8D40 N126 D228 V235 I236D40-S232 PolarHBondContact OD2-N 2.98Å; N126-S232 PolarHBondContact ND2-OG 2.94Å; N126-S232 VanDerWaalsContact ND2-OG 3.07Å; D228-S232 PolarHBondContact O-N 3.4Å; D228-S232 PolarHBondContact O-OG 3.11Å; S232-V235 PolarHBondContact O-N 3.4Å; S232-I236 WeakPolarHBondContact O-CB 3.31Å; S232-I236 WeakPolarHBondContact O-CD1 3.4Å; S232-I236 WeakPolarHBondContact O-CG1 3.42Å; S232-I236 PolarHBondContact O-N 3.14Å
233V93.1Very high88.3Confident64 Ų6434 Ų3439%0.38817%0.171SC..Hα-helixtrans-64.3-43.2175.51700000111.4L123 A229 F230 G231 V235 I236 V237L123-V233 HydrophobicContact CD1-CG2 4.14Å; L123-V233 HydrophobicContact CD2-CG2 4.49Å; A229-V233 VanDerWaalsContact O-CG2 3.31Å; A229-V233 WeakPolarHBondContact O-CG2 3.36Å; A229-V233 PolarHBondContact O-N 3.02Å; F230-V233 PolarHBondContact O-N 3.46Å; G231-V233 VanDerWaalsContact C-N 3.29Å; G231-V233 PolarHBondContact O-N 3.49Å; V233-V235 VanDerWaalsContact C-N 3.34Å; V233-V235 PolarHBondContact O-N 3.33Å; V233-I236 PolarHBondContact O-N 3.47Å; V233-V237 HydrophobicContact CG1-CG2 4.41Å; V233-V237 VanDerWaalsContact O-CG2 3.31Å; V233-V237 WeakPolarHBondContact O-CG2 3.37Å; V233-V237 PolarHBondContact O-N 3Å
234I92.2Very high89.1Confident22 Ų2238.2 Ų38.211%0.11319%0.189CC..Hα-helixtrans-61.8-44.4177.6-70.4167.3000110.5F230 G231 V237 N238 L258 L262 I265F230-I234 WeakPolarHBondContact O-CG1 3.42Å; F230-I234 PolarHBondContact O-N 3.15Å; G231-I234 WeakPolarHBondContact O-CB 3.41Å; G231-I234 PolarHBondContact O-N 2.87Å; I234-V237 PolarHBondContact O-N 3.24Å; I234-N238 WeakPolarHBondContact O-CB 3.23Å; I234-N238 PolarHBondContact O-N 3.41Å; I234-L258 HydrophobicContact CG2-CB 3.72Å; I234-L258 HydrophobicContact CG2-CD1 4.4Å; I234-L258 HydrophobicContact CG2-CD2 4.24Å; I234-L258 HydrophobicContact CG2-CG 4.33Å; I234-L262 HydrophobicContact CD1-CB 4.25Å; I234-L262 HydrophobicContact CD1-CD1 4.3Å; I234-I265 HydrophobicContact CD1-CD1 3.63Å
235V93.6Very high89.6Confident0 Ų039.7 Ų39.70%020%0.2CC..Hα-helixtrans-61.1-44.2176.5171.80000111.5L37 D40 I115 G231 S232 V233 N238 A239L37-V235 HydrophobicContact CD1-CG1 4.02Å; D40-V235 HydrophobicContact CB-CG2 4.03Å; I115-V235 HydrophobicContact CG2-CG1 3.54Å; G231-V235 WeakPolarHBondContact O-CG2 3.08Å; G231-V235 PolarHBondContact O-N 2.93Å; S232-V235 PolarHBondContact O-N 3.4Å; V233-V235 VanDerWaalsContact C-N 3.34Å; V233-V235 PolarHBondContact O-N 3.33Å; V235-N238 WeakPolarHBondContact O-CB 3.36Å; V235-N238 PolarHBondContact O-N 3.31Å; V235-A239 WeakPolarHBondContact O-CB 2.96Å; V235-A239 PolarHBondContact O-N 2.69Å
236I95Very high89.6Confident24 Ų2447 Ų4712%0.12324%0.238CC..Hα-helixtrans-61.5-47.6176.7-71.2163.7000110.9L116 V120 L123 S232 V233 N238 A239 I240L116-I236 HydrophobicContact CD1-CB 4.45Å; L116-I236 HydrophobicContact CD1-CG1 4.5Å; L116-I236 HydrophobicContact CD1-CG2 3.81Å; V120-I236 HydrophobicContact CG2-CD1 4.06Å; V120-I236 HydrophobicContact CG2-CG1 4.19Å; L123-I236 HydrophobicContact CB-CD1 4.15Å; L123-I236 HydrophobicContact CD2-CD1 3.94Å; S232-I236 WeakPolarHBondContact O-CB 3.31Å; S232-I236 WeakPolarHBondContact O-CD1 3.4Å; S232-I236 WeakPolarHBondContact O-CG1 3.42Å; S232-I236 PolarHBondContact O-N 3.14Å; V233-I236 PolarHBondContact O-N 3.47Å; I236-N238 VanDerWaalsContact C-N 3.33Å; I236-N238 PolarHBondContact O-N 2.96Å; I236-A239 PolarHBondContact O-N 3.18Å; I236-I240 HydrophobicContact CG2-CD1 3.72Å; I236-I240 HydrophobicContact CG2-CG1 4.41Å; I236-I240 WeakPolarHBondContact O-CG1 3.37Å; I236-I240 PolarHBondContact O-N 2.89Å
237V93.4Very high89.6Confident64 Ų6446.8 Ų46.839%0.38824%0.242SC..Hα-helixtrans-61.5-43.8178.9170.30000110.5V233 I234 A239 I240 I241V233-V237 HydrophobicContact CG1-CG2 4.41Å; V233-V237 VanDerWaalsContact O-CG2 3.31Å; V233-V237 WeakPolarHBondContact O-CG2 3.37Å; V233-V237 PolarHBondContact O-N 3Å; I234-V237 PolarHBondContact O-N 3.24Å; V237-A239 VanDerWaalsContact C-N 3.33Å; V237-A239 PolarHBondContact O-N 3.46Å; V237-I240 PolarHBondContact O-N 2.9Å; V237-I241 HydrophobicContact CG1-CD1 3.62Å; V237-I241 HydrophobicContact CG1-CG1 4.36Å; V237-I241 VanDerWaalsContact O-CG1 3.28Å; V237-I241 WeakPolarHBondContact O-CG1 3.38Å; V237-I241 PolarHBondContact O-N 3.42Å
238N92.6Very high89.6Confident0 Ų050.3 Ų50.30%026%0.259CS..Hα-helixtrans-56.6-47.6175.1-171.735.5000111.5I234 V235 I236 I241 C242 D255 L258I234-N238 WeakPolarHBondContact O-CB 3.23Å; I234-N238 PolarHBondContact O-N 3.41Å; V235-N238 WeakPolarHBondContact O-CB 3.36Å; V235-N238 PolarHBondContact O-N 3.31Å; I236-N238 VanDerWaalsContact C-N 3.33Å; I236-N238 PolarHBondContact O-N 2.96Å; N238-I241 PolarHBondContact O-N 3.45Å; N238-C242 WeakPolarHBondContact O-CB 3.48Å; N238-C242 PolarHBondContact O-N 3.48Å; N238-C242 PolarHBondContact O-SG 3.18Å; N238-D255 PolarHBondContact ND2-OD1 2.66Å; N238-L258 HydrophobicContact CB-CD1 3.51Å
239A93.2Very high89.5Confident1 Ų154.3 Ų54.31%0.00828%0.284CS..Hα-helixtrans-64.6-42.1-179.800000112.7I115 L116 V235 I236 V237 C242 W243I115-A239 HydrophobicContact CB-CB 4.04Å; I115-A239 HydrophobicContact CG2-CB 3.9Å; L116-A239 HydrophobicContact CB-CB 3.85Å; L116-A239 HydrophobicContact CD1-CB 4.47Å; V235-A239 WeakPolarHBondContact O-CB 2.96Å; V235-A239 PolarHBondContact O-N 2.69Å; I236-A239 PolarHBondContact O-N 3.18Å; V237-A239 VanDerWaalsContact C-N 3.33Å; V237-A239 PolarHBondContact O-N 3.46Å; A239-C242 PolarHBondContact O-N 2.88Å; A239-W243 VanDerWaalsContact O-CB 3.28Å; A239-W243 WeakPolarHBondContact O-CB 3.46Å; A239-W243 PolarHBondContact O-N 3.41Å
240I93.5Very high89.3Confident61 Ų6157.3 Ų57.331%0.31330%0.297SS..Hα-helixtrans-64.5-46.2177.7-68.2169000110.7L116 I236 V237 W243 Q244L116-I240 HydrophobicContact CD1-CD1 4.3Å; L116-I240 HydrophobicContact CD1-CG1 3.91Å; I236-I240 HydrophobicContact CG2-CD1 3.72Å; I236-I240 HydrophobicContact CG2-CG1 4.41Å; I236-I240 WeakPolarHBondContact O-CG1 3.37Å; I236-I240 PolarHBondContact O-N 2.89Å; V237-I240 PolarHBondContact O-N 2.9Å; I240-W243 PolarHBondContact O-N 3.39Å; I240-Q244 HydrophobicContact CG2-CG 4.47Å; I240-Q244 WeakPolarHBondContact O-CG 3.27Å; I240-Q244 PolarHBondContact O-N 2.85Å
241I92.1Very high89.2Confident51 Ų5155.7 Ų55.726%0.26229%0.288SS..Hα-helixtrans-64.6-44.1179.6-64.1167.5000110.1V237 N238 W243 Q244 V245 L250 L254V237-I241 HydrophobicContact CG1-CD1 3.62Å; V237-I241 HydrophobicContact CG1-CG1 4.36Å; V237-I241 VanDerWaalsContact O-CG1 3.28Å; V237-I241 WeakPolarHBondContact O-CG1 3.38Å; V237-I241 PolarHBondContact O-N 3.42Å; N238-I241 PolarHBondContact O-N 3.45Å; I241-W243 PolarHBondContact O-N 2.89Å; I241-Q244 PolarHBondContact O-N 2.9Å; I241-V245 HydrophobicContact CG2-CB 4.4Å; I241-V245 HydrophobicContact CG2-CG2 3.95Å; I241-V245 VanDerWaalsContact O-CB 3.32Å; I241-V245 WeakPolarHBondContact O-CB 3.3Å; I241-V245 WeakPolarHBondContact O-CG2 3.1Å; I241-V245 PolarHBondContact O-N 3.1Å; I241-L250 HydrophobicContact CG2-CD2 4.04Å; I241-L254 HydrophobicContact CB-CD2 3.64Å; I241-L254 HydrophobicContact CD1-CD2 4.04Å; I241-L254 HydrophobicContact CG1-CD2 4.45Å; I241-L254 HydrophobicContact CG2-CD2 3.35Å
242C88.5Confident89Confident8 Ų860.4 Ų60.45%0.05431%0.306CS..Hα-helixtrans-66.1-22.4176.5-69.30000113.5I109 P112 N238 A239 R251I109-C242 HydrophobicContact CD1-CB 4.36Å; I109-C242 WeakPolarHBondContact CD1-SG 3.44Å; P112-C242 HydrophobicContact CB-CB 4.23Å; N238-C242 WeakPolarHBondContact O-CB 3.48Å; N238-C242 PolarHBondContact O-N 3.48Å; N238-C242 PolarHBondContact O-SG 3.18Å; A239-C242 PolarHBondContact O-N 2.88Å; C242-R251 HydrophobicContact CB-CG 4.47Å
243W88.8Confident88.9Confident156 Ų15665.7 Ų65.759%0.59133%0.327SS*.Hα-helixtrans-82.6-35.3174.8-179.852.9000113P112 A239 I240 I241P112-W243 HydrophobicContact CB-CB 4.37Å; P112-W243 HydrophobicContact CG-CB 4.38Å; A239-W243 VanDerWaalsContact O-CB 3.28Å; A239-W243 WeakPolarHBondContact O-CB 3.46Å; A239-W243 PolarHBondContact O-N 3.41Å; I240-W243 PolarHBondContact O-N 3.39Å; I241-W243 PolarHBondContact O-N 2.89Å
244Q89.2Confident88.8Confident132 Ų13264 Ų6462%0.61732%0.315SS*.Hα-helixtrans-92.9-24.3-175.7-68.6-177.2-0.800114.3I240 I241I240-Q244 HydrophobicContact CG2-CG 4.47Å; I240-Q244 WeakPolarHBondContact O-CG 3.27Å; I240-Q244 PolarHBondContact O-N 2.85Å; I241-Q244 PolarHBondContact O-N 2.9Å
245V87.7Confident88.8Confident55 Ų5563.1 Ų63.133%0.33331%0.311SS..  trans-107.1116.7-173.1-177.70000111.1I241 S247 L250I241-V245 HydrophobicContact CG2-CB 4.4Å; I241-V245 HydrophobicContact CG2-CG2 3.95Å; I241-V245 VanDerWaalsContact O-CB 3.32Å; I241-V245 WeakPolarHBondContact O-CB 3.3Å; I241-V245 WeakPolarHBondContact O-CG2 3.1Å; I241-V245 PolarHBondContact O-N 3.1Å; V245-S247 VanDerWaalsContact C-N 3.25Å; V245-S247 PolarHBondContact O-N 2.98Å; V245-L250 HydrophobicContact CB-CD2 4.24Å; V245-L250 HydrophobicContact CG1-CD2 3.69Å; V245-L250 HydrophobicContact CG2-CD2 4.39Å
246D80.4Confident88.7Confident165 Ų16563.2 Ų63.288%0.88231%0.312SS*.  trans-80-0.1179.6-64.4-43.6000114.2I248D246-I248 PolarHBondContact O-N 3.27Å; D246-I248 VanDerWaalsContact O-N 3.09Å
247S82.7Confident88.5Confident57 Ų5764.7 Ų64.740%0.39932%0.324SS..  trans-69110178.9-176.50000110.9V245 T249 L250 R251V245-S247 VanDerWaalsContact C-N 3.25Å; V245-S247 PolarHBondContact O-N 2.98Å; S247-T249 VanDerWaalsContact C-N 3.25Å; S247-T249 PolarHBondContact O-N 3.03Å; S247-L250 PolarHBondContact O-N 3.4Å; S247-R251 PolarHBondContact O-N 3.47Å; S247-R251 VanDerWaalsContact O-N 3.07Å
248I80.4Confident88.3Confident77 Ų7763.2 Ų63.240%0.39531%0.314SS..Hα-helixtrans-57.5-38.6178.5-167.559.9000112.5E108 D246 R252E108-I248 WeakPolarHBondContact OE1-CD1 3.3Å; D246-I248 PolarHBondContact O-N 3.27Å; D246-I248 VanDerWaalsContact O-N 3.09Å; I248-R252 WeakPolarHBondContact O-CG 3.28Å; I248-R252 PolarHBondContact O-N 3.15Å
249T84.9Confident88.1Confident85 Ų8563.3 Ų63.352%0.52132%0.315SS..Hα-helixtrans-67.1-44.9179.5-49.20000110.8S247 R252 Y253S247-T249 VanDerWaalsContact C-N 3.25Å; S247-T249 PolarHBondContact O-N 3.03Å; T249-R252 PolarHBondContact O-N 3.19Å; T249-Y253 HydrophobicContact CG2-CD2 3.97Å; T249-Y253 HydrophobicContact CG2-CE2 4.03Å; T249-Y253 VanDerWaalsContact O-CD2 3.28Å; T249-Y253 WeakPolarHBondContact O-CD2 3.13Å; T249-Y253 PolarHBondContact O-N 3.34Å
250L85Confident88Confident76 Ų7664.4 Ų64.440%0.39832%0.32SS..Hα-helixtrans-63.4-45.8179.8-171.768.5000110.8I241 V245 S247 R252 Y253 L254I241-L250 HydrophobicContact CG2-CD2 4.04Å; V245-L250 HydrophobicContact CB-CD2 4.24Å; V245-L250 HydrophobicContact CG1-CD2 3.69Å; V245-L250 HydrophobicContact CG2-CD2 4.39Å; S247-L250 PolarHBondContact O-N 3.4Å; L250-R252 VanDerWaalsContact C-N 3.27Å; L250-R252 PolarHBondContact O-N 3.24Å; L250-Y253 PolarHBondContact O-N 3.32Å; L250-L254 WeakPolarHBondContact O-CB 3.41Å; L250-L254 PolarHBondContact O-N 3.38Å
251R85Confident87.8Confident72 Ų7264 Ų6427%0.27232%0.322SS..Hα-helixtrans-58.9-37.4180-174.3175178173.8-0.6113.1I109 C242 S247I109-R251 PolarHBondContact O-NE 3.28Å; I109-R251 PolarHBondContact O-NH2 3.04Å; C242-R251 HydrophobicContact CB-CG 4.47Å; S247-R251 PolarHBondContact O-N 3.47Å; S247-R251 VanDerWaalsContact O-N 3.07Å
252R85.5Confident87.5Confident99 Ų9961.7 Ų61.737%0.37431%0.31SS..Hα-helixtrans-71.5-34.9-179.3-78.3-179.1-174.5178.52.9113.8P106 E108 I248 T249 L250 P256P106-R252 HydrophobicContact CB-CB 3.96Å; P106-R252 WeakPolarHBondContact CB-O 3.31Å; E108-R252 HydrophobicContact CG-CG 4.19Å; E108-R252 IonicContact OE1-CZ 3.26Å; E108-R252 VanDerWaalsContact OE1-CZ 3.26Å; E108-R252 IonicContact OE1-NE 3.04Å; E108-R252 PolarHBondContact OE1-NE 3.14Å; E108-R252 IonicContact OE1-NH2 2.67Å; E108-R252 PolarHBondContact OE1-NH2 2.83Å; I248-R252 WeakPolarHBondContact O-CG 3.28Å; I248-R252 PolarHBondContact O-N 3.15Å; T249-R252 PolarHBondContact O-N 3.19Å; L250-R252 VanDerWaalsContact C-N 3.27Å; L250-R252 PolarHBondContact O-N 3.24Å; R252-P256 WeakPolarHBondContact O-CD 3.4Å
253Y91.1Very high87.3Confident110 Ų11061.4 Ų61.443%0.43131%0.308SS..Hα-helixtrans-100.9-21.8-176.6-69.4-71.3000114.1L103 P106 T249 L250 P256 S257L103-Y253 HydrophobicContact CD2-CD1 4.29Å; P106-Y253 HydrophobicContact CG-CE1 4.4Å; T249-Y253 HydrophobicContact CG2-CD2 3.97Å; T249-Y253 HydrophobicContact CG2-CE2 4.03Å; T249-Y253 VanDerWaalsContact O-CD2 3.28Å; T249-Y253 WeakPolarHBondContact O-CD2 3.13Å; T249-Y253 PolarHBondContact O-N 3.34Å; L250-Y253 PolarHBondContact O-N 3.32Å; Y253-P256 WeakPolarHBondContact O-CD 3.23Å; Y253-P256 WeakPolarHBondContact O-CG 3.48Å; Y253-S257 VanDerWaalsContact O-CB 3.24Å; Y253-S257 WeakPolarHBondContact O-CB 3.46Å; Y253-S257 PolarHBondContact O-N 3.32Å; Y253-S257 VanDerWaalsContact O-N 3.12Å; Y253-S257 PolarHBondContact O-OG 3.47Å
254L90.9Very high87Confident28 Ų2855.9 Ų55.915%0.14729%0.29CS..Hα-helixtrans-64.8-47.6-175.7-177.767.6000111.9I241 L250 S257 L258I241-L254 HydrophobicContact CB-CD2 3.64Å; I241-L254 HydrophobicContact CD1-CD2 4.04Å; I241-L254 HydrophobicContact CG1-CD2 4.45Å; I241-L254 HydrophobicContact CG2-CD2 3.35Å; L250-L254 WeakPolarHBondContact O-CB 3.41Å; L250-L254 PolarHBondContact O-N 3.38Å; L254-S257 PolarHBondContact O-N 2.87Å; L254-L258 HydrophobicContact CD1-CD1 3.95Å; L254-L258 HydrophobicContact CD1-CG 4.09Å; L254-L258 HydrophobicContact CD2-CD1 4.48Å; L254-L258 HydrophobicContact CG-CD1 3.87Å; L254-L258 HydrophobicContact CG-CG 4.32Å; L254-L258 WeakPolarHBondContact O-CB 3.37Å; L254-L258 WeakPolarHBondContact O-CG 3.39Å; L254-L258 PolarHBondContact O-N 3.2Å
255D90.5Very high86.6Confident5 Ų552 Ų523%0.02727%0.273CS..Hα-helixtrans-56.3-57-179.8-177.583.8000112.5S34 T35 A36 I109 N238 S257 L258 S259S34-D255 PolarHBondContact OG-OD1 3.28Å; T35-D255 WeakPolarHBondContact CA-OD2 3.34Å; T35-D255 WeakPolarHBondContact CB-OD2 3.48Å; T35-D255 PolarHBondContact N-OD2 3.29Å; T35-D255 PolarHBondContact OG1-OD2 2.98Å; A36-D255 VanDerWaalsContact CB-OD1 3.3Å; A36-D255 WeakPolarHBondContact CB-OD1 3.35Å; A36-D255 PolarHBondContact N-OD1 3.5Å; A36-D255 PolarHBondContact N-OD2 3.49Å; I109-D255 HydrophobicContact CD1-CB 3.61Å; I109-D255 HydrophobicContact CG1-CB 4.2Å; N238-D255 PolarHBondContact ND2-OD1 2.66Å; D255-S257 VanDerWaalsContact C-N 3.3Å; D255-S257 PolarHBondContact O-N 3.28Å; D255-L258 PolarHBondContact O-N 3.1Å; D255-S259 PolarHBondContact O-N 3Å; D255-S259 PolarHBondContact O-OG 2.97Å
256P91.7Very high86Confident2 Ų249.3 Ų49.31%0.01326%0.257CS..Hα-helixtrans-65.4-30.6177.725.2-35.4000113.6R102 L103 R252 Y253 S259 L260R102-P256 HydrophobicContact CB-CB 3.95Å; R102-P256 HydrophobicContact CG-CB 3.94Å; R102-P256 HydrophobicContact CG-CG 4.3Å; L103-P256 HydrophobicContact CD2-CB 3.81Å; L103-P256 HydrophobicContact CD2-CG 3.73Å; L103-P256 HydrophobicContact CG-CB 4.03Å; L103-P256 HydrophobicContact CG-CG 4.41Å; R252-P256 WeakPolarHBondContact O-CD 3.4Å; Y253-P256 WeakPolarHBondContact O-CD 3.23Å; Y253-P256 WeakPolarHBondContact O-CG 3.48Å; P256-S259 WeakPolarHBondContact O-CB 3.48Å; P256-S259 PolarHBondContact O-N 3.26Å; P256-L260 PolarHBondContact O-N 3.05Å
257S91.4Very high85.7Confident55 Ų5542.9 Ų42.939%0.38522%0.224SC..Hα-helixtrans-65.9-40.5175.1-60.70000111.8Y253 L254 D255 L260 C261Y253-S257 VanDerWaalsContact O-CB 3.24Å; Y253-S257 WeakPolarHBondContact O-CB 3.46Å; Y253-S257 PolarHBondContact O-N 3.32Å; Y253-S257 VanDerWaalsContact O-N 3.12Å; Y253-S257 PolarHBondContact O-OG 3.47Å; L254-S257 PolarHBondContact O-N 2.87Å; D255-S257 VanDerWaalsContact C-N 3.3Å; D255-S257 PolarHBondContact O-N 3.28Å; S257-L260 PolarHBondContact O-N 3.08Å; S257-C261 PolarHBondContact O-N 3.5Å
258L90.1Very high85.3Confident33 Ų3342.5 Ų42.517%0.17322%0.22CC..Hα-helixtrans-71.9-34176-72.1-179.1000111.8I234 N238 L254 D255 C261 L262I234-L258 HydrophobicContact CG2-CB 3.72Å; I234-L258 HydrophobicContact CG2-CD1 4.4Å; I234-L258 HydrophobicContact CG2-CD2 4.24Å; I234-L258 HydrophobicContact CG2-CG 4.33Å; N238-L258 HydrophobicContact CB-CD1 3.51Å; L254-L258 HydrophobicContact CD1-CD1 3.95Å; L254-L258 HydrophobicContact CD1-CG 4.09Å; L254-L258 HydrophobicContact CD2-CD1 4.48Å; L254-L258 HydrophobicContact CG-CD1 3.87Å; L254-L258 HydrophobicContact CG-CG 4.32Å; L254-L258 WeakPolarHBondContact O-CB 3.37Å; L254-L258 WeakPolarHBondContact O-CG 3.39Å; L254-L258 PolarHBondContact O-N 3.2Å; D255-L258 PolarHBondContact O-N 3.1Å; L258-C261 WeakPolarHBondContact O-CB 3.26Å; L258-C261 PolarHBondContact O-N 2.92Å; L258-L262 PolarHBondContact O-N 3.46Å
259S88Confident84.6Confident2 Ų240.5 Ų40.51%0.01421%0.212CC..Hα-helixtrans-60.1-43.4170-51.50000112.2T35 A36 D255 P256 L262 A263T35-S259 PolarHBondContact O-OG 3.46Å; T35-S259 PolarHBondContact OG1-OG 3.45Å; T35-S259 VanDerWaalsContact OG1-OG 3.09Å; A36-S259 WeakPolarHBondContact CA-OG 3.36Å; A36-S259 PolarHBondContact N-OG 2.86Å; D255-S259 PolarHBondContact O-N 3Å; D255-S259 PolarHBondContact O-OG 2.97Å; P256-S259 WeakPolarHBondContact O-CB 3.48Å; P256-S259 PolarHBondContact O-N 3.26Å; S259-L262 WeakPolarHBondContact O-CB 3.41Å; S259-L262 PolarHBondContact O-N 3.27Å; S259-A263 PolarHBondContact O-N 2.95Å
260L90.3Very high83.6Confident23 Ų2338.7 Ų38.712%0.1220%0.201CC..Hα-helixtrans-63.2-42.7173-85.4151.9000111.2F96 L100 L103 P256 S257 L262 A263 L264F96-L260 HydrophobicContact CD2-CD2 3.54Å; F96-L260 HydrophobicContact CE2-CD2 3.49Å; F96-L260 VanDerWaalsContact CE2-CD2 3.49Å; F96-L260 HydrophobicContact CZ-CD2 4.44Å; L100-L260 HydrophobicContact CD2-CD1 4.32Å; L100-L260 HydrophobicContact CD2-CD2 4.11Å; L100-L260 HydrophobicContact CG-CD2 4.34Å; L103-L260 HydrophobicContact CD1-CD1 3.24Å; L103-L260 HydrophobicContact CG-CD1 3.87Å; P256-L260 PolarHBondContact O-N 3.05Å; S257-L260 PolarHBondContact O-N 3.08Å; L260-L262 VanDerWaalsContact C-N 3.32Å; L260-L262 PolarHBondContact O-N 3.37Å; L260-A263 PolarHBondContact O-N 3.27Å; L260-L264 VanDerWaalsContact O-CD1 3.27Å; L260-L264 WeakPolarHBondContact O-CD1 3.36Å; L260-L264 WeakPolarHBondContact O-CG 3.43Å; L260-L264 PolarHBondContact O-N 3.49Å
261C88.6Confident82.3Confident53 Ų5335.4 Ų35.436%0.35818%0.184SC..Hα-helixtrans-58.1-44.6174.6-169.50000111.8S257 L258 L264 I265S257-C261 PolarHBondContact O-N 3.5Å; L258-C261 WeakPolarHBondContact O-CB 3.26Å; L258-C261 PolarHBondContact O-N 2.92Å; C261-L264 PolarHBondContact O-N 3.37Å; C261-I265 VanDerWaalsContact O-CG1 3.32Å; C261-I265 WeakPolarHBondContact O-CG1 3.01Å; C261-I265 PolarHBondContact O-N 3.16Å
262L86.1Confident80.6Confident2 Ų235.3 Ų35.31%0.0119%0.193CC..Hα-helixtrans-59.6-50.8175.6177.156.2000111.6A39 D40 I234 L258 S259 L260 L264 I265 I266A39-L262 HydrophobicContact CB-CD2 4.18Å; D40-L262 HydrophobicContact CB-CD2 4.16Å; I234-L262 HydrophobicContact CD1-CB 4.25Å; I234-L262 HydrophobicContact CD1-CD1 4.3Å; L258-L262 PolarHBondContact O-N 3.46Å; S259-L262 WeakPolarHBondContact O-CB 3.41Å; S259-L262 PolarHBondContact O-N 3.27Å; L260-L262 VanDerWaalsContact C-N 3.32Å; L260-L262 PolarHBondContact O-N 3.37Å; L262-L264 PolarHBondContact O-N 3.16Å; L262-I265 PolarHBondContact O-N 2.8Å; L262-I265 VanDerWaalsContact O-N 3.14Å; L262-I266 HydrophobicContact CD1-CD1 3.61Å; L262-I266 HydrophobicContact CD1-CG1 3.97Å; L262-I266 HydrophobicContact CG-CD1 3.67Å; L262-I266 HydrophobicContact CG-CG1 4.48Å; L262-I266 WeakPolarHBondContact O-CD1 3.42Å; L262-I266 VanDerWaalsContact O-CG1 3.29Å; L262-I266 WeakPolarHBondContact O-CG1 3.48Å; L262-I266 PolarHBondContact O-N 2.95Å
263A84.9Confident78.4Confident2 Ų238.1 Ų38.12%0.01721%0.214CC..Hα-helixtrans-55.7-38.4177.600000112.3I95 S259 L260 T267I95-A263 HydrophobicContact CG2-CB 3.97Å; S259-A263 PolarHBondContact O-N 2.95Å; L260-A263 PolarHBondContact O-N 3.27Å; A263-T267 VanDerWaalsContact O-CB 3.29Å; A263-T267 WeakPolarHBondContact O-CB 3.47Å; A263-T267 PolarHBondContact O-N 3.23Å; A263-T267 PolarHBondContact O-OG1 2.89Å
264L82.5Confident75.9Confident41 Ų4144.4 Ų44.422%0.21524%0.237CC..Hα-helixtrans-72.4-42.1178.3-65.7162000112.5L260 C261 L262 T267 C268 F280L260-L264 VanDerWaalsContact O-CD1 3.27Å; L260-L264 WeakPolarHBondContact O-CD1 3.36Å; L260-L264 WeakPolarHBondContact O-CG 3.43Å; L260-L264 PolarHBondContact O-N 3.49Å; C261-L264 PolarHBondContact O-N 3.37Å; L262-L264 PolarHBondContact O-N 3.16Å; L264-T267 PolarHBondContact O-N 2.75Å; L264-C268 WeakPolarHBondContact O-CB 3.19Å; L264-C268 PolarHBondContact O-N 2.73Å; L264-C268 PolarHBondContact O-SG 3.3Å; L264-F280 HydrophobicContact CD1-CE2 3.46Å; L264-F280 VanDerWaalsContact CD1-CE2 3.46Å; L264-F280 HydrophobicContact CD1-CZ 3.42Å; L264-F280 VanDerWaalsContact CD1-CZ 3.42Å; L264-F280 HydrophobicContact CD2-CD2 4.41Å; L264-F280 HydrophobicContact CD2-CE1 4.07Å; L264-F280 HydrophobicContact CD2-CE2 3.31Å; L264-F280 HydrophobicContact CD2-CZ 3.12Å; L264-F280 HydrophobicContact CG-CE2 3.88Å; L264-F280 HydrophobicContact CG-CZ 3.8Å
265I79.8Confident73.6Confident49 Ų4945.9 Ų45.925%0.25124%0.244SC..Hα-helixtrans-60-49.6175.6-72.5164.3000109.5I234 C261 L262 T267 C268 T269I234-I265 HydrophobicContact CD1-CD1 3.63Å; C261-I265 VanDerWaalsContact O-CG1 3.32Å; C261-I265 WeakPolarHBondContact O-CG1 3.01Å; C261-I265 PolarHBondContact O-N 3.16Å; L262-I265 PolarHBondContact O-N 2.8Å; L262-I265 VanDerWaalsContact O-N 3.14Å; I265-T267 VanDerWaalsContact C-N 3.33Å; I265-T267 PolarHBondContact O-N 3.33Å; I265-C268 CarbonylContact O-C 3.47Å; I265-C268 WeakPolarHBondContact O-CA 3.33Å; I265-C268 WeakPolarHBondContact O-CB 3.41Å; I265-C268 PolarHBondContact O-N 3.41Å; I265-T269 HydrophobicContact CG2-CG2 3.99Å; I265-T269 WeakPolarHBondContact O-CG2 3.44Å; I265-T269 PolarHBondContact O-N 3.29Å; I265-T269 PolarHBondContact O-OG1 2.81Å; I265-T269 VanDerWaalsContact O-OG1 3.09Å
266I75.9Confident71.4Confident0 Ų054.9 Ų54.90%029%0.286CS..Hα-helixtrans-59.4-45.7178.2-63.7158.4000111H43 C92 L262 C268 T269 T270H43-I266 HydrophobicContact CB-CD1 3.88Å; H43-I266 WeakPolarHBondContact CD2-CD1 3.26Å; C92-I266 VanDerWaalsContact SG-CG2 3.53Å; L262-I266 HydrophobicContact CD1-CD1 3.61Å; L262-I266 HydrophobicContact CD1-CG1 3.97Å; L262-I266 HydrophobicContact CG-CD1 3.67Å; L262-I266 HydrophobicContact CG-CG1 4.48Å; L262-I266 WeakPolarHBondContact O-CD1 3.42Å; L262-I266 VanDerWaalsContact O-CG1 3.29Å; L262-I266 WeakPolarHBondContact O-CG1 3.48Å; L262-I266 PolarHBondContact O-N 2.95Å; I266-C268 PolarHBondContact O-N 3.2Å; I266-T269 WeakPolarHBondContact CA-OG1 3.29Å; I266-T269 PolarHBondContact O-N 3.18Å; I266-T269 PolarHBondContact O-OG1 3.29Å; I266-T270 HydrophobicContact CG2-CG2 4.24Å; I266-T270 WeakPolarHBondContact O-CB 2.93Å; I266-T270 WeakPolarHBondContact O-CG2 3.48Å; I266-T270 PolarHBondContact O-N 3.46Å; I266-T270 PolarHBondContact O-OG1 3.48Å
267T74.6Confident69.3Low29 Ų2957.9 Ų57.918%0.17831%0.306CS..Hα-helixtrans-61.8-30.6177.1-58.60000111.5A263 L264 I265 V271A263-T267 VanDerWaalsContact O-CB 3.29Å; A263-T267 WeakPolarHBondContact O-CB 3.47Å; A263-T267 PolarHBondContact O-N 3.23Å; A263-T267 PolarHBondContact O-OG1 2.89Å; L264-T267 PolarHBondContact O-N 2.75Å; I265-T267 VanDerWaalsContact C-N 3.33Å; I265-T267 PolarHBondContact O-N 3.33Å; T267-V271 WeakPolarHBondContact O-CG2 3.49Å
268C73.1Confident67.4Low49 Ų4960.1 Ų60.133%0.33133%0.328SS..Hα-helixtrans-82.5-37.9176.6-67.30000113.2L264 I265 I266 V271L264-C268 WeakPolarHBondContact O-CB 3.19Å; L264-C268 PolarHBondContact O-N 2.73Å; L264-C268 PolarHBondContact O-SG 3.3Å; I265-C268 CarbonylContact O-C 3.47Å; I265-C268 WeakPolarHBondContact O-CA 3.33Å; I265-C268 WeakPolarHBondContact O-CB 3.41Å; I265-C268 PolarHBondContact O-N 3.41Å; I266-C268 PolarHBondContact O-N 3.2Å; C268-V271 PolarHBondContact O-N 3.02Å
269T67.7Low65.4Low35 Ų3562 Ų6222%0.21534%0.344CS..Hα-helixtrans-78.8-31.6-175.253.60000113.3I265 I266 V271I265-T269 HydrophobicContact CG2-CG2 3.99Å; I265-T269 WeakPolarHBondContact O-CG2 3.44Å; I265-T269 PolarHBondContact O-N 3.29Å; I265-T269 PolarHBondContact O-OG1 2.81Å; I265-T269 VanDerWaalsContact O-OG1 3.09Å; I266-T269 WeakPolarHBondContact CA-OG1 3.29Å; I266-T269 PolarHBondContact O-N 3.18Å; I266-T269 PolarHBondContact O-OG1 3.29Å; T269-V271 PolarHBondContact O-N 3.04Å; T269-V271 VanDerWaalsContact O-N 3.15Å
270T62.1Low63.9Low47 Ų4767.4 Ų67.429%0.28837%0.367SS..THydrogen-bonded Turntrans-66.4-10.1173.251.50000113I266I266-T270 HydrophobicContact CG2-CG2 4.24Å; I266-T270 WeakPolarHBondContact O-CB 2.93Å; I266-T270 WeakPolarHBondContact O-CG2 3.48Å; I266-T270 PolarHBondContact O-N 3.46Å; I266-T270 PolarHBondContact O-OG1 3.48Å
271V59.4Low62.1Low7 Ų774.5 Ų74.54%0.04240%0.4CS..SBendtrans-101.3125177.3-179.20000107.9T267 C268 T269 L273 C287 I290T267-V271 WeakPolarHBondContact O-CG2 3.49Å; C268-V271 PolarHBondContact O-N 3.02Å; T269-V271 PolarHBondContact O-N 3.04Å; T269-V271 VanDerWaalsContact O-N 3.15Å; V271-L273 PolarHBondContact O-N 2.81Å; V271-C287 HydrophobicContact CB-CB 4.34Å; V271-C287 HydrophobicContact CG1-CB 4.48Å; V271-C287 HydrophobicContact CG2-CB 3.24Å; V271-C287 WeakPolarHBondContact CG2-SG 2.96Å; V271-I290 HydrophobicContact CG1-CD1 4.12Å
272P49.3Very low60.2Low71 Ų7174.6 Ų74.646%0.46140%0.396SS..  trans-55.3120.1177.122.3-31.1000108.4R274 I290P272-R274 PolarHBondContact O-N 3.3Å; P272-I290 HydrophobicContact CG-CG2 4.44Å
273L38.2Very low58.6Low157 Ų15776.1 Ų76.182%0.82240%0.404SS*.SBendtrans-58.746.4-173.6-69.3162.8000114.5V271V271-L273 PolarHBondContact O-N 2.81Å
274R39.5Very low57Low242 Ų24279.5 Ų79.591%0.91342%0.424SS*.  trans-113.227.6174.3-143.9-161.2-82.2-163.4-2.7111.8P272P272-R274 PolarHBondContact O-N 3.3Å
275M42.6Very low55.6Low60 Ų6086.2 Ų86.230%0.29645%0.447SS..  trans-120.690.9176.5-163.2170.7142.100110.3C277 K286 I290M275-C277 HydrophobicContact CE-CB 3.84Å; M275-C277 HydrophobicContact CG-CB 4.48Å; M275-C277 PolarHBondContact O-N 3.05Å; M275-C277 VanDerWaalsContact O-N 3.11Å; M275-K286 HydrophobicContact CE-CB 3.69Å; M275-K286 HydrophobicContact CE-CD 3.22Å; M275-K286 HydrophobicContact CE-CG 4.07Å; M275-K286 HydrophobicContact SD-CB 3.82Å; M275-K286 HydrophobicContact SD-CD 3.94Å; M275-I290 HydrophobicContact SD-CD1 4.21Å
276H42.8Very low54.2Low194 Ų19488.4 Ų88.490%0.89845%0.454SS*.  trans-43.4112.7152.1-90.7-93.6000108.6
277C48.7Very low53.2Low65 Ų6589 Ų8944%0.43946%0.459SS..  trans-166.2132.9161.3-124.90000115.7M275M275-C277 HydrophobicContact CE-CB 3.84Å; M275-C277 HydrophobicContact CG-CB 4.48Å; M275-C277 PolarHBondContact O-N 3.05Å; M275-C277 VanDerWaalsContact O-N 3.11Å
278A50.8Low52.3Low102 Ų10292.8 Ų92.884%0.84347%0.473SS*.  trans-104.138.5-179.900000113.4
279S49.3Very low51.5Low72 Ų7292.1 Ų92.150%0.50347%0.468SS..  trans-152.3118.1177.7-58.90000113.3L282 I283S279-L282 WeakPolarHBondContact O-CB 3.5Å; S279-L282 PolarHBondContact O-N 3.36Å; S279-I283 WeakPolarHBondContact O-CG1 3.29Å; S279-I283 PolarHBondContact O-N 3.46Å
280F55Low51Low116 Ų11692.7 Ų92.751%0.50947%0.47SS..Hα-helixtrans-63.3-46.8-166.9-166-102.3000116.1L264 L282 I283L264-F280 HydrophobicContact CD1-CE2 3.46Å; L264-F280 VanDerWaalsContact CD1-CE2 3.46Å; L264-F280 HydrophobicContact CD1-CZ 3.42Å; L264-F280 VanDerWaalsContact CD1-CZ 3.42Å; L264-F280 HydrophobicContact CD2-CD2 4.41Å; L264-F280 HydrophobicContact CD2-CE1 4.07Å; L264-F280 HydrophobicContact CD2-CE2 3.31Å; L264-F280 HydrophobicContact CD2-CZ 3.12Å; L264-F280 HydrophobicContact CG-CE2 3.88Å; L264-F280 HydrophobicContact CG-CZ 3.8Å; F280-L282 PolarHBondContact O-N 2.87Å; F280-I283 HydrophobicContact CD2-CD1 4.45Å; F280-I283 VanDerWaalsContact O-CB 3.31Å; F280-I283 WeakPolarHBondContact O-CB 3.36Å; F280-I283 PolarHBondContact O-N 3.5Å
281E53.1Low50.9Low172 Ų17292.7 Ų92.780%0.80447%0.471SS*.Hα-helixtrans-59.8-28176.3-86.9-76.2144.100113
282L48.8Very low51.5Low55 Ų5594 Ų9429%0.28848%0.48SS..Hα-helixtrans-82.6-21.3179.1-15868.2000112.4S279 F280 K286S279-L282 WeakPolarHBondContact O-CB 3.5Å; S279-L282 PolarHBondContact O-N 3.36Å; F280-L282 PolarHBondContact O-N 2.87Å; L282-K286 HydrophobicContact CD1-CD 4.4Å; L282-K286 HydrophobicContact CD2-CD 4.14Å; L282-K286 HydrophobicContact CG-CD 3.86Å; L282-K286 HydrophobicContact CG-CG 4.32Å; L282-K286 WeakPolarHBondContact O-CB 3.19Å; L282-K286 PolarHBondContact O-N 3.35Å; L282-K286 VanDerWaalsContact O-N 3.15Å
283I53.5Low52.8Low33 Ų3396.1 Ų96.117%0.16948%0.481CS..Hα-helixtrans-64.4-57.5-179.7-62.2175000108.8S279 F280 R285 K286 C287S279-I283 WeakPolarHBondContact O-CG1 3.29Å; S279-I283 PolarHBondContact O-N 3.46Å; F280-I283 HydrophobicContact CD2-CD1 4.45Å; F280-I283 VanDerWaalsContact O-CB 3.31Å; F280-I283 WeakPolarHBondContact O-CB 3.36Å; F280-I283 PolarHBondContact O-N 3.5Å; I283-R285 PolarHBondContact O-N 3.35Å; I283-K286 PolarHBondContact O-N 3.47Å; I283-C287 WeakPolarHBondContact O-CB 3.21Å; I283-C287 PolarHBondContact O-N 3.21Å; I283-C287 PolarHBondContact O-SG 2.64Å
284V51.1Low54.6Low73 Ų7393.7 Ų93.744%0.44247%0.466SS..Hα-helixtrans-56.9-50.8-175.3-176.40000110.7K286 F288V284-K286 PolarHBondContact O-N 3.3Å; V284-F288 WeakPolarHBondContact O-CB 3.18Å; V284-F288 PolarHBondContact O-N 3.15Å
285R52.3Low56.4Low183 Ų18382.8 Ų82.869%0.69143%0.427SS*.Hα-helixtrans-67.6-38-176.1-171.3162.467.2128-3.2114.3I283I283-R285 PolarHBondContact O-N 3.35Å
286K49.5Very low58.4Low94 Ų9481.3 Ų81.341%0.40942%0.424SS..Hα-helixtrans-77.1-43.4178.1-77.2-177.3176.11770111.2M275 L282 I283 V284 C289 I290M275-K286 HydrophobicContact CE-CB 3.69Å; M275-K286 HydrophobicContact CE-CD 3.22Å; M275-K286 HydrophobicContact CE-CG 4.07Å; M275-K286 HydrophobicContact SD-CB 3.82Å; M275-K286 HydrophobicContact SD-CD 3.94Å; L282-K286 HydrophobicContact CD1-CD 4.4Å; L282-K286 HydrophobicContact CD2-CD 4.14Å; L282-K286 HydrophobicContact CG-CD 3.86Å; L282-K286 HydrophobicContact CG-CG 4.32Å; L282-K286 WeakPolarHBondContact O-CB 3.19Å; L282-K286 PolarHBondContact O-N 3.35Å; L282-K286 VanDerWaalsContact O-N 3.15Å; I283-K286 PolarHBondContact O-N 3.47Å; V284-K286 PolarHBondContact O-N 3.3Å; K286-C289 PolarHBondContact O-N 3.27Å; K286-I290 WeakPolarHBondContact O-CD1 3.49Å; K286-I290 WeakPolarHBondContact O-CG1 3.3Å; K286-I290 PolarHBondContact O-N 2.82Å
287C55.8Low60.4Low13 Ų1375.7 Ų75.79%0.08840%0.4CS..Hα-helixtrans-59.6-49.2176.2-71.90000112.3V271 I283 C289 I290V271-C287 HydrophobicContact CB-CB 4.34Å; V271-C287 HydrophobicContact CG1-CB 4.48Å; V271-C287 HydrophobicContact CG2-CB 3.24Å; V271-C287 WeakPolarHBondContact CG2-SG 2.96Å; I283-C287 WeakPolarHBondContact O-CB 3.21Å; I283-C287 PolarHBondContact O-N 3.21Å; I283-C287 PolarHBondContact O-SG 2.64Å; C287-C289 PolarHBondContact O-N 3.25Å; C287-I290 PolarHBondContact O-N 2.89Å; C287-I290 VanDerWaalsContact O-N 3.1Å
288F56Low61.9Low108 Ų10873.1 Ų73.147%0.47438%0.382SS..Hα-helixtrans-47.8-44.7174.7178.5-79.9000112.4L89 V284L89-F288 HydrophobicContact CD1-CD2 3.29Å; L89-F288 HydrophobicContact CD1-CE2 3.63Å; L89-F288 HydrophobicContact CD1-CG 4.3Å; L89-F288 HydrophobicContact CD2-CD2 3.43Å; L89-F288 VanDerWaalsContact CD2-CD2 3.43Å; L89-F288 HydrophobicContact CD2-CE1 4.36Å; L89-F288 HydrophobicContact CD2-CE2 3.11Å; L89-F288 HydrophobicContact CD2-CG 4.17Å; L89-F288 HydrophobicContact CD2-CZ 3.62Å; L89-F288 HydrophobicContact CG-CD2 3.92Å; L89-F288 HydrophobicContact CG-CE2 3.82Å; V284-F288 WeakPolarHBondContact O-CB 3.18Å; V284-F288 PolarHBondContact O-N 3.15Å
289C55.6Low63.5Low35 Ų3570.7 Ų70.724%0.23635%0.354CS..Hα-helixtrans-76-36.3-176.9-95.80000112.4K286 C287 K293K286-C289 PolarHBondContact O-N 3.27Å; C287-C289 PolarHBondContact O-N 3.25Å; C289-K293 HydrophobicContact CB-CD 3.75Å; C289-K293 VanDerWaalsContact CB-CE 3.41Å; C289-K293 HydrophobicContact CB-CG 4.38Å; C289-K293 WeakPolarHBondContact O-CA 3.32Å; C289-K293 WeakPolarHBondContact O-CB 3.33Å; C289-K293 VanDerWaalsContact O-CD 3.29Å; C289-K293 WeakPolarHBondContact O-CD 2.93Å; C289-K293 WeakPolarHBondContact O-CG 3.29Å; C289-K293 PolarHBondContact O-N 3.2Å; C289-K293 WeakPolarHBondContact SG-CE 3.42Å; C289-K293 PolarHBondContact SG-NZ 3.21Å; C289-K293 VanDerWaalsContact SG-NZ 3.4Å
290I57.3Low65.3Low48 Ų4873.5 Ų73.525%0.24636%0.363CS..Hα-helixtrans-66.5-55.2-165.3-71.3158.2000112.5V271 P272 M275 K286 C287 V292 K293 E294V271-I290 HydrophobicContact CG1-CD1 4.12Å; P272-I290 HydrophobicContact CG-CG2 4.44Å; M275-I290 HydrophobicContact SD-CD1 4.21Å; K286-I290 WeakPolarHBondContact O-CD1 3.49Å; K286-I290 WeakPolarHBondContact O-CG1 3.3Å; K286-I290 PolarHBondContact O-N 2.82Å; C287-I290 PolarHBondContact O-N 2.89Å; C287-I290 VanDerWaalsContact O-N 3.1Å; I290-V292 PolarHBondContact O-N 3.45Å; I290-K293 PolarHBondContact O-N 3.49Å; I290-E294 PolarHBondContact O-N 3.42Å
291S61Low66.9Low46 Ų4672.4 Ų72.432%0.32236%0.36SS..Hα-helixtrans-63.7-44.2-176.4177.20000112.1A85 S295A85-S291 WeakPolarHBondContact CB-OG 3.22Å; S291-S295 PolarHBondContact O-N 2.95Å; S291-S295 PolarHBondContact O-OG 2.93Å
292V71.2Confident68.6Low36 Ų3666.8 Ų66.822%0.21834%0.337CS..Hα-helixtrans-65.9-42.9177.91780000110.3L82 A85 I290 S295 A296L82-V292 HydrophobicContact CD1-CG1 3.75Å; A85-V292 HydrophobicContact CB-CG2 3.99Å; I290-V292 PolarHBondContact O-N 3.45Å; V292-S295 PolarHBondContact O-N 2.82Å; V292-A296 WeakPolarHBondContact O-CB 3.12Å; V292-A296 PolarHBondContact O-N 2.89Å
293K75.8Confident70.6Confident115 Ų11566.6 Ų66.650%0.534%0.338SS..Hα-helixtrans-61.8-47.6-179.7-81.7171.4-179.4174.40111.6C289 I290 S295 A296 L297C289-K293 HydrophobicContact CB-CD 3.75Å; C289-K293 VanDerWaalsContact CB-CE 3.41Å; C289-K293 HydrophobicContact CB-CG 4.38Å; C289-K293 WeakPolarHBondContact O-CA 3.32Å; C289-K293 WeakPolarHBondContact O-CB 3.33Å; C289-K293 VanDerWaalsContact O-CD 3.29Å; C289-K293 WeakPolarHBondContact O-CD 2.93Å; C289-K293 WeakPolarHBondContact O-CG 3.29Å; C289-K293 PolarHBondContact O-N 3.2Å; C289-K293 WeakPolarHBondContact SG-CE 3.42Å; C289-K293 PolarHBondContact SG-NZ 3.21Å; C289-K293 VanDerWaalsContact SG-NZ 3.4Å; I290-K293 PolarHBondContact O-N 3.49Å; K293-S295 PolarHBondContact O-N 2.97Å; K293-A296 PolarHBondContact O-N 2.98Å; K293-L297 HydrophobicContact CB-CD1 4.41Å; K293-L297 WeakPolarHBondContact O-CB 3.26Å; K293-L297 WeakPolarHBondContact O-CG 3.49Å; K293-L297 PolarHBondContact O-N 3.1Å
294E75.8Confident72.1Confident106 Ų10665.5 Ų65.550%0.49533%0.333SS..Hα-helixtrans-61.6-47.9-177.9-71.9-168.6176.800111.3I290 A296 L297 I298I290-E294 PolarHBondContact O-N 3.42Å; E294-A296 PolarHBondContact O-N 3.29Å; E294-L297 PolarHBondContact O-N 3Å; E294-I298 WeakPolarHBondContact O-CD1 3.28Å; E294-I298 VanDerWaalsContact O-CG1 3.22Å; E294-I298 WeakPolarHBondContact O-CG1 3.42Å; E294-I298 PolarHBondContact O-N 3.22Å
295S78.2Confident73.6Confident13 Ų1369.3 Ų69.39%0.09136%0.357CS..Hα-helixtrans-62.9-42.6178.2-57.60000112V78 S291 V292 K293 I298 L299V78-S295 WeakPolarHBondContact CG1-O 3.14Å; S291-S295 PolarHBondContact O-N 2.95Å; S291-S295 PolarHBondContact O-OG 2.93Å; V292-S295 PolarHBondContact O-N 2.82Å; K293-S295 PolarHBondContact O-N 2.97Å; S295-I298 PolarHBondContact O-N 3.4Å; S295-L299 PolarHBondContact O-N 3.45Å
296A85.5Confident75.1Confident29 Ų2967.2 Ų67.224%0.2435%0.354CS..Hα-helixtrans-66.1-42.5177.200000112.3L82 V292 K293 E294 I298 L299 L300L82-A296 HydrophobicContact CD1-CB 4.35Å; V292-A296 WeakPolarHBondContact O-CB 3.12Å; V292-A296 PolarHBondContact O-N 2.89Å; K293-A296 PolarHBondContact O-N 2.98Å; E294-A296 PolarHBondContact O-N 3.29Å; A296-I298 VanDerWaalsContact C-N 3.29Å; A296-I298 PolarHBondContact O-N 2.97Å; A296-L299 WeakPolarHBondContact O-CB 3.41Å; A296-L299 PolarHBondContact O-N 2.76Å; A296-L299 VanDerWaalsContact O-N 3.13Å; A296-L300 WeakPolarHBondContact O-CB 3.35Å; A296-L300 VanDerWaalsContact O-CG 3.31Å; A296-L300 WeakPolarHBondContact O-CG 3.45Å; A296-L300 PolarHBondContact O-N 3.32Å
297L84.6Confident76.9Confident76 Ų7663.5 Ų63.540%0.39834%0.339SS..Hα-helixtrans-64.2-35178.7-74.6171.4000111.7K293 E294 L300 Q301 T302K293-L297 HydrophobicContact CB-CD1 4.41Å; K293-L297 WeakPolarHBondContact O-CB 3.26Å; K293-L297 WeakPolarHBondContact O-CG 3.49Å; K293-L297 PolarHBondContact O-N 3.1Å; E294-L297 PolarHBondContact O-N 3Å; L297-L300 CarbonylContact O-C 3.18Å; L297-L300 PolarHBondContact O-N 3.22Å; L297-Q301 PolarHBondContact O-N 3.09Å; L297-T302 HydrophobicContact CB-CG2 3.8Å; L297-T302 VanDerWaalsContact O-CB 3.3Å; L297-T302 WeakPolarHBondContact O-CB 3.3Å; L297-T302 WeakPolarHBondContact O-CG2 3.17Å; L297-T302 PolarHBondContact O-N 3.12Å
298I79.7Confident78.5Confident10 Ų1066.8 Ų66.85%0.05136%0.356CS..Hα-helixtrans-65.7-43172.8-62.8163.9000110.5V78 E294 S295 A296 L300 Q301 R333V78-I298 HydrophobicContact CB-CG2 4.38Å; V78-I298 HydrophobicContact CG1-CB 3.76Å; V78-I298 HydrophobicContact CG1-CG2 3.72Å; V78-I298 HydrophobicContact CG2-CG2 3.78Å; E294-I298 WeakPolarHBondContact O-CD1 3.28Å; E294-I298 VanDerWaalsContact O-CG1 3.22Å; E294-I298 WeakPolarHBondContact O-CG1 3.42Å; E294-I298 PolarHBondContact O-N 3.22Å; S295-I298 PolarHBondContact O-N 3.4Å; A296-I298 VanDerWaalsContact C-N 3.29Å; A296-I298 PolarHBondContact O-N 2.97Å; I298-L300 VanDerWaalsContact C-N 3.27Å; I298-L300 PolarHBondContact O-N 3.21Å; I298-Q301 PolarHBondContact O-N 3.33Å; I298-R333 HydrophobicContact CG2-CG 4.38Å
299L84.4Confident80.2Confident51 Ų5163.1 Ų63.127%0.26734%0.342SS..Hα-helixtrans-64.2-33.4175-69.5175.5000112.5V78 L79 L82 S295 A296 Q301V78-L299 HydrophobicContact CB-CD2 4.06Å; V78-L299 HydrophobicContact CB-CG 4.44Å; V78-L299 HydrophobicContact CG1-CD2 3.92Å; V78-L299 HydrophobicContact CG1-CG 3.77Å; L79-L299 HydrophobicContact CD1-CD1 4.25Å; L82-L299 HydrophobicContact CB-CD1 4.49Å; L82-L299 HydrophobicContact CD2-CD1 3.63Å; S295-L299 PolarHBondContact O-N 3.45Å; A296-L299 WeakPolarHBondContact O-CB 3.41Å; A296-L299 PolarHBondContact O-N 2.76Å; A296-L299 VanDerWaalsContact O-N 3.13Å; L299-Q301 PolarHBondContact O-N 2.73Å
300L86.9Confident81.9Confident132 Ų13266.7 Ų66.769%0.69136%0.359SS*.THydrogen-bonded Turntrans-76.65.4173-67.5172.6000113.6A296 L297 I298A296-L300 WeakPolarHBondContact O-CB 3.35Å; A296-L300 VanDerWaalsContact O-CG 3.31Å; A296-L300 WeakPolarHBondContact O-CG 3.45Å; A296-L300 PolarHBondContact O-N 3.32Å; L297-L300 CarbonylContact O-C 3.18Å; L297-L300 PolarHBondContact O-N 3.22Å; I298-L300 VanDerWaalsContact C-N 3.27Å; I298-L300 PolarHBondContact O-N 3.21Å
301Q88Confident83.6Confident92 Ų9269.5 Ų69.543%0.4337%0.371SS..THydrogen-bonded Turntrans62.842175.6-51.817814.600113.1L297 I298 L299 W332L297-Q301 PolarHBondContact O-N 3.09Å; I298-Q301 PolarHBondContact O-N 3.33Å; L299-Q301 PolarHBondContact O-N 2.73Å; Q301-W332 HydrophobicContact CB-CB 4.01Å; Q301-W332 HydrophobicContact CB-CG 4.29Å; Q301-W332 WeakPolarHBondContact O-CB 3.49Å
302T88.9Confident85.1Confident55 Ų5567.5 Ų67.534%0.33736%0.356SS..PPolyproline II helixtrans-67.1157.2176.4-155.20000113L297 R333L297-T302 HydrophobicContact CB-CG2 3.8Å; L297-T302 VanDerWaalsContact O-CB 3.3Å; L297-T302 WeakPolarHBondContact O-CB 3.3Å; L297-T302 WeakPolarHBondContact O-CG2 3.17Å; L297-T302 PolarHBondContact O-N 3.12Å; T302-R333 PolarHBondContact O-N 3.44Å; T302-R333 VanDerWaalsContact O-N 3.12Å
303V90.9Very high86.2Confident51 Ų5168.8 Ų68.831%0.30936%0.36SS..PPolyproline II helixtrans-72136.5170.2-174.30000109.1I307 V309 I331V303-I307 HydrophobicContact CG1-CB 4.29Å; V303-I307 HydrophobicContact CG1-CG2 4.2Å; V303-V309 HydrophobicContact CG1-CG2 3.77Å; V303-V309 HydrophobicContact CG2-CG2 3.98Å; V303-I331 WeakPolarHBondContact CG2-O 3.08Å
304P85.7Confident87Confident9 Ų968.1 Ų68.16%0.05836%0.362CS..PPolyproline II helixtrans-58.6138.5173-21.232.1000112.4H306 I307 R333 I339P304-H306 WeakPolarHBondContact CB-CE1 3.38Å; P304-H306 PolarHBondContact O-N 3.14Å; P304-H306 VanDerWaalsContact O-N 3.1Å; P304-I307 HydrophobicContact CB-CD1 4.36Å; P304-I307 HydrophobicContact CB-CG1 4.47Å; P304-I307 HydrophobicContact CG-CD1 4.14Å; P304-I307 PolarHBondContact O-N 2.94Å; P304-R333 HydrophobicContact CG-CB 4.29Å; P304-I339 HydrophobicContact CB-CD1 4.42Å; P304-I339 HydrophobicContact CG-CD1 3.78Å; P304-I339 HydrophobicContact CG-CG1 3.83Å; P304-I339 HydrophobicContact CG-CG2 4.19Å
305T83.2Confident87.9Confident153 Ų15366.7 Ų66.794%0.93935%0.354SS*.THydrogen-bonded Turntrans-63-20.7-175520000115.3I307T305-I307 VanDerWaalsContact C-N 3.34Å
306H82.9Confident88.6Confident139 Ų13966 Ų6664%0.64435%0.349SS*.THydrogen-bonded Turntrans-85.7-7177.260.7-81.3000113.1P304P304-H306 WeakPolarHBondContact CB-CE1 3.38Å; P304-H306 PolarHBondContact O-N 3.14Å; P304-H306 VanDerWaalsContact O-N 3.1Å
307I86.6Confident89Confident17 Ų1767.3 Ų67.39%0.08735%0.352CS..  trans-108119-178.9-68.1178.7000109.2V303 P304 T305 I312 I331 I339 I369V303-I307 HydrophobicContact CG1-CB 4.29Å; V303-I307 HydrophobicContact CG1-CG2 4.2Å; P304-I307 HydrophobicContact CB-CD1 4.36Å; P304-I307 HydrophobicContact CB-CG1 4.47Å; P304-I307 HydrophobicContact CG-CD1 4.14Å; P304-I307 PolarHBondContact O-N 2.94Å; T305-I307 VanDerWaalsContact C-N 3.34Å; I307-I312 HydrophobicContact CG2-CD1 3.44Å; I307-I312 VanDerWaalsContact CG2-CD1 3.44Å; I307-I312 HydrophobicContact CG2-CG1 4.38Å; I307-I331 HydrophobicContact CG2-CD1 4.17Å; I307-I339 HydrophobicContact CD1-CD1 3.86Å; I307-I339 HydrophobicContact CD1-CG2 4.31Å; I307-I369 HydrophobicContact CD1-CD1 4.42Å; I307-I369 HydrophobicContact CD1-CG1 4.24Å
308N90.6Very high89.4Confident81 Ų8171.3 Ų71.343%0.43337%0.368SS..  trans-95.1112.9165.9-175.4-34.2000108.9D310 Q311 I312N308-D310 PolarHBondContact O-N 3.37Å; N308-D310 WeakPolarHBondContact OD1-CB 3.41Å; N308-D310 PolarHBondContact OD1-N 3.01Å; N308-Q311 HydrophobicContact CB-CB 3.87Å; N308-Q311 PolarHBondContact O-N 3.21Å; N308-Q311 PolarHBondContact OD1-N 2.88Å; N308-Q311 VanDerWaalsContact OD1-N 3.17Å; N308-I312 WeakPolarHBondContact O-CG1 3.49Å; N308-I312 PolarHBondContact O-N 2.87Å
309V91.4Very high89.9Confident31 Ų3174.2 Ų74.219%0.18839%0.39CS..Hα-helixtrans-61.9-43.6-176.6-175.10000111.2V303 Q311 I312 Q313 L329 I331V303-V309 HydrophobicContact CG1-CG2 3.77Å; V303-V309 HydrophobicContact CG2-CG2 3.98Å; V309-Q311 VanDerWaalsContact C-N 3.3Å; V309-Q311 PolarHBondContact O-N 3.03Å; V309-I312 PolarHBondContact O-N 3.3Å; V309-Q313 PolarHBondContact O-N 3.27Å; V309-L329 HydrophobicContact CG1-CD2 3.71Å; V309-L329 HydrophobicContact CG1-CG 3.94Å; V309-I331 HydrophobicContact CG1-CD1 4.33Å; V309-I331 HydrophobicContact CG2-CD1 4.35Å
310D92.2Very high90.3Very high111 Ų11172.2 Ų72.259%0.59438%0.379SS*.Hα-helixtrans-62.9-41.1-179.6-53.8-47.8000110.8N308 Q313 L314N308-D310 PolarHBondContact O-N 3.37Å; N308-D310 WeakPolarHBondContact OD1-CB 3.41Å; N308-D310 PolarHBondContact OD1-N 3.01Å; D310-Q313 PolarHBondContact O-N 2.93Å; D310-L314 WeakPolarHBondContact O-CG 3.41Å; D310-L314 PolarHBondContact O-N 3.13Å
311Q92.1Very high90.5Very high106 Ų10673.2 Ų73.250%0.49539%0.385SS..Hα-helixtrans-65.8-40.8176.7-168.6-178.310.400112N308 V309 L314 K315N308-Q311 HydrophobicContact CB-CB 3.87Å; N308-Q311 PolarHBondContact O-N 3.21Å; N308-Q311 PolarHBondContact OD1-N 2.88Å; N308-Q311 VanDerWaalsContact OD1-N 3.17Å; V309-Q311 VanDerWaalsContact C-N 3.3Å; V309-Q311 PolarHBondContact O-N 3.03Å; Q311-L314 PolarHBondContact O-N 3.41Å; Q311-K315 HydrophobicContact CG-CD 4.38Å; Q311-K315 WeakPolarHBondContact O-CB 3.49Å; Q311-K315 VanDerWaalsContact O-CG 3.28Å; Q311-K315 WeakPolarHBondContact O-CG 3.48Å; Q311-K315 PolarHBondContact O-N 3.4Å
312I93.3Very high90.5Very high4 Ų469.7 Ų69.72%0.02137%0.374CS..Hα-helixtrans-64-42.8175.8-72.8-172.4000110.6I307 N308 V309 L314 K315 L316 L329 I331 F363 F364 E367 I369I307-I312 HydrophobicContact CG2-CD1 3.44Å; I307-I312 VanDerWaalsContact CG2-CD1 3.44Å; I307-I312 HydrophobicContact CG2-CG1 4.38Å; N308-I312 WeakPolarHBondContact O-CG1 3.49Å; N308-I312 PolarHBondContact O-N 2.87Å; V309-I312 PolarHBondContact O-N 3.3Å; I312-L314 PolarHBondContact O-N 3.37Å; I312-K315 PolarHBondContact O-N 2.92Å; I312-L316 VanDerWaalsContact O-CB 3.28Å; I312-L316 WeakPolarHBondContact O-CB 3.31Å; I312-L316 PolarHBondContact O-N 3.16Å; I312-L329 HydrophobicContact CG2-CD2 4.49Å; I312-I331 HydrophobicContact CD1-CD1 4.13Å; I312-I331 HydrophobicContact CG2-CD1 4.43Å; I312-F363 HydrophobicContact CG2-CE1 3.91Å; I312-F363 HydrophobicContact CG2-CZ 4.38Å; I312-F364 HydrophobicContact CG2-CD1 4.48Å; I312-F364 HydrophobicContact CG2-CE1 3.9Å; I312-E367 HydrophobicContact CD1-CB 4.34Å; I312-I369 HydrophobicContact CD1-CD1 4.15Å
313Q93.5Very high90.7Very high64 Ų6467.8 Ų67.830%0.29936%0.362SS..Hα-helixtrans-60.4-46.7177.7-174.4172.8-26.600111.6V309 D310 L316 L317 V326 L329V309-Q313 PolarHBondContact O-N 3.27Å; D310-Q313 PolarHBondContact O-N 2.93Å; Q313-L316 PolarHBondContact O-N 2.85Å; Q313-L317 HydrophobicContact CG-CD1 4.4Å; Q313-L317 WeakPolarHBondContact O-CG 3.38Å; Q313-L317 PolarHBondContact O-N 2.97Å; Q313-L317 VanDerWaalsContact O-N 3.11Å; Q313-V326 HydrophobicContact CG-CB 4.22Å; Q313-V326 HydrophobicContact CG-CG1 4.4Å; Q313-V326 PolarHBondContact NE2-O 2.67Å; Q313-L329 HydrophobicContact CB-CD2 3.87Å; Q313-L329 HydrophobicContact CG-CD2 4.46Å
314L93Very high90.8Very high101 Ų10169 Ų6953%0.52937%0.366SS..Hα-helixtrans-64.1-43.4176.6-70.4174.4000112.2D310 Q311 I312 L316 L317 H318D310-L314 WeakPolarHBondContact O-CG 3.41Å; D310-L314 PolarHBondContact O-N 3.13Å; Q311-L314 PolarHBondContact O-N 3.41Å; I312-L314 PolarHBondContact O-N 3.37Å; L314-L316 VanDerWaalsContact C-N 3.31Å; L314-L316 PolarHBondContact O-N 3.45Å; L314-L317 PolarHBondContact O-N 2.87Å; L314-H318 PolarHBondContact O-N 3.12Å; L314-H318 PolarHBondContact O-ND1 2.92Å
315K93.7Very high91.1Very high75 Ų7569.8 Ų69.833%0.32637%0.373SS..Hα-helixtrans-62-39.8175.6-78173.8170.4-173.60111.7Q311 I312 H318 S319 F363 E367Q311-K315 HydrophobicContact CG-CD 4.38Å; Q311-K315 WeakPolarHBondContact O-CB 3.49Å; Q311-K315 VanDerWaalsContact O-CG 3.28Å; Q311-K315 WeakPolarHBondContact O-CG 3.48Å; Q311-K315 PolarHBondContact O-N 3.4Å; I312-K315 PolarHBondContact O-N 2.92Å; K315-H318 PolarHBondContact O-N 2.95Å; K315-S319 WeakPolarHBondContact O-CB 3.49Å; K315-S319 PolarHBondContact O-N 3.48Å; K315-S319 PolarHBondContact O-OG 3.04Å; K315-F363 HydrophobicContact CB-CE2 3.96Å; K315-F363 HydrophobicContact CB-CZ 3.72Å; K315-E367 IonicContact NZ-OE1 3.61Å; K315-E367 PolarHBondContact NZ-OE1 3.42Å; K315-E367 IonicContact NZ-OE2 3.81Å; K315-E367 PolarHBondContact NZ-OE2 3.48Å
316L94Very high91.6Very high0 Ų062.9 Ų62.90%033%0.331CS..Hα-helixtrans-64.1-43.6-179.6-17960.2000111.4I312 Q313 L314 I320 V326 V360 F363 F364I312-L316 VanDerWaalsContact O-CB 3.28Å; I312-L316 WeakPolarHBondContact O-CB 3.31Å; I312-L316 PolarHBondContact O-N 3.16Å; Q313-L316 PolarHBondContact O-N 2.85Å; L314-L316 VanDerWaalsContact C-N 3.31Å; L314-L316 PolarHBondContact O-N 3.45Å; L316-I320 HydrophobicContact CD1-CD1 3.56Å; L316-I320 HydrophobicContact CD1-CG1 4.27Å; L316-I320 PolarHBondContact O-N 3.19Å; L316-V326 HydrophobicContact CD2-CG1 4.41Å; L316-V326 HydrophobicContact CD2-CG2 3.88Å; L316-V326 HydrophobicContact CG-CG2 4.31Å; L316-V360 HydrophobicContact CD1-CG1 4.23Å; L316-V360 HydrophobicContact CD1-CG2 4.34Å; L316-F363 HydrophobicContact CB-CD1 4.4Å; L316-F363 HydrophobicContact CB-CE1 3.83Å; L316-F363 HydrophobicContact CB-CZ 4.09Å; L316-F363 HydrophobicContact CD1-CD1 3.63Å; L316-F363 HydrophobicContact CD1-CE1 3.95Å; L316-F363 HydrophobicContact CD1-CG 4.06Å; L316-F363 HydrophobicContact CG-CE1 4.39Å; L316-F364 HydrophobicContact CD2-CE2 4.18Å; L316-F364 HydrophobicContact CD2-CZ 3.95Å
317L93.5Very high92Very high56 Ų5660.4 Ų60.429%0.29332%0.32SS..Hα-helixtrans-63-39.2176.8-75.1162.6000112.8Q313 L314 V323 V326Q313-L317 HydrophobicContact CG-CD1 4.4Å; Q313-L317 WeakPolarHBondContact O-CG 3.38Å; Q313-L317 PolarHBondContact O-N 2.97Å; Q313-L317 VanDerWaalsContact O-N 3.11Å; L314-L317 PolarHBondContact O-N 2.87Å; L317-V323 HydrophobicContact CD2-CG1 3.98Å; L317-V326 HydrophobicContact CD2-CG2 4.12Å; L317-V326 HydrophobicContact CG-CG2 4.22Å
318H92.6Very high92.2Very high159 Ų15965.3 Ų65.374%0.73634%0.342SS*.Hα-helixtrans-85.1-27.2-178.1-63.9119000114.1L314 K315L314-H318 PolarHBondContact O-N 3.12Å; L314-H318 PolarHBondContact O-ND1 2.92Å; K315-H318 PolarHBondContact O-N 2.95Å
319S91.2Very high92.4Very high72 Ų7262.3 Ų62.350%0.50333%0.326SS..Hα-helixtrans-87.8-20.3-173.760.30000114.3K315K315-S319 WeakPolarHBondContact O-CB 3.49Å; K315-S319 PolarHBondContact O-N 3.48Å; K315-S319 PolarHBondContact O-OG 3.04Å
320I91.7Very high92.6Very high9 Ų965.9 Ų65.95%0.04634%0.34CS..SBendtrans-123.1104-176.2-53.1-175.5000109.8L316 V323 I356 K359 V360 F363L316-I320 HydrophobicContact CD1-CD1 3.56Å; L316-I320 HydrophobicContact CD1-CG1 4.27Å; L316-I320 PolarHBondContact O-N 3.19Å; I320-V323 HydrophobicContact CB-CG2 4.09Å; I320-V323 HydrophobicContact CG2-CG2 3.95Å; I320-V323 PolarHBondContact O-N 3.32Å; I320-I356 HydrophobicContact CG2-CB 4.15Å; I320-I356 HydrophobicContact CG2-CG2 4.27Å; I320-K359 HydrophobicContact CD1-CB 4.13Å; I320-K359 HydrophobicContact CG2-CB 4.28Å; I320-K359 HydrophobicContact CG2-CD 4.47Å; I320-V360 HydrophobicContact CD1-CB 4.15Å; I320-V360 HydrophobicContact CD1-CG2 3.64Å; I320-F363 HydrophobicContact CD1-CB 4.08Å
321D90.5Very high92.7Very high152 Ų15261 Ų6181%0.81331%0.314SS*.THydrogen-bonded Turntrans-62.3139171.4-174.134.7000111.1
322G89.5Confident92.8Very high19 Ų1958.4 Ų58.420%0.19630%0.3CS..THydrogen-bonded Turntrans97.3-11.7-175.200000115.7L324G322-L324 PolarHBondContact O-N 3.48Å
323V93Very high92.6Very high14 Ų1460.5 Ų60.59%0.08531%0.308CS..  trans-81.6110.8169.9178.30000109.1L317 I320 V326 I345 I356 V360L317-V323 HydrophobicContact CD2-CG1 3.98Å; I320-V323 HydrophobicContact CB-CG2 4.09Å; I320-V323 HydrophobicContact CG2-CG2 3.95Å; I320-V323 PolarHBondContact O-N 3.32Å; V323-V326 HydrophobicContact CG1-CG2 3.75Å; V323-I345 HydrophobicContact CB-CG2 4.46Å; V323-I345 HydrophobicContact CG1-CG2 3.91Å; V323-I345 HydrophobicContact CG2-CG2 3.99Å; V323-I356 HydrophobicContact CG2-CD1 3.98Å; V323-V360 HydrophobicContact CG2-CG2 4.5Å
324L91.6Very high92.2Very high78 Ų7858 Ų5841%0.40830%0.296SS..  trans-81.2-39.1-178.7-62.1176.9000112.3G322 H346 R348 V379G322-L324 PolarHBondContact O-N 3.48Å; L324-H346 HydrophobicContact CB-CB 4.36Å; L324-H346 WeakPolarHBondContact CB-O 3.28Å; L324-H346 PolarHBondContact N-O 3.05Å; L324-R348 HydrophobicContact CD1-CG 3.8Å; L324-R348 HydrophobicContact CD2-CG 4.44Å; L324-R348 HydrophobicContact CG-CG 4.4Å; L324-V379 HydrophobicContact CD1-CG2 3.96Å
325A92.2Very high91.7Very high25 Ų2553.3 Ų53.321%0.20727%0.272CS..EExtended strand (participates in β ladder)trans-157.9158.717900000110.2H346A325-H346 HydrophobicContact CB-CB 3.82Å; A325-H346 PolarHBondContact O-N 3.17Å
326V94Very high91Very high8 Ų849.9 Ų49.95%0.04826%0.258CS..EExtended strand (participates in β ladder)trans-125.4122.7174-179.90000107.8Q313 L316 L317 V323 L329 H344Q313-V326 HydrophobicContact CG-CB 4.22Å; Q313-V326 HydrophobicContact CG-CG1 4.4Å; Q313-V326 PolarHBondContact NE2-O 2.67Å; L316-V326 HydrophobicContact CD2-CG1 4.41Å; L316-V326 HydrophobicContact CD2-CG2 3.88Å; L316-V326 HydrophobicContact CG-CG2 4.31Å; L317-V326 HydrophobicContact CD2-CG2 4.12Å; L317-V326 HydrophobicContact CG-CG2 4.22Å; V323-V326 HydrophobicContact CG1-CG2 3.75Å; V326-L329 HydrophobicContact CG1-CB 4.26Å; V326-H344 CarbonylContact C-O 3.59Å; V326-H344 WeakPolarHBondContact CA-O 3.37Å
327H90.9Very high90.3Very high87 Ų8754 Ų5440%0.40328%0.28SS..EExtended strand (participates in β ladder)trans-117.3160.9177.2-52.9124.3000110.3L329 H344 E377H327-L329 PolarHBondContact O-N 2.87Å; H327-H344 HydrophobicContact CB-CB 4.12Å; H327-H344 PolarHBondContact N-O 2.88Å; H327-H344 WeakPolarHBondContact O-CB 3.46Å; H327-H344 PolarHBondContact O-N 2.94Å; H327-E377 IonicContact CE1-OE2 3.85Å; H327-E377 IonicContact CG-OE2 3.95Å; H327-E377 IonicContact ND1-OE2 2.95Å; H327-E377 PolarHBondContact ND1-OE2 3.05Å
328E92.4Very high89.9Confident120 Ų12054.9 Ų54.956%0.56128%0.282SS*.EExtended strand (participates in β ladder)trans4544.1173.8-61.2-167.3179.400114.2H330 H344E328-H330 PolarHBondContact O-CD2 3.27Å; E328-H330 PolarHBondContact O-N 2.87Å; E328-H330 VanDerWaalsContact O-N 3.11Å; E328-H344 IonicContact OE2-CE1 2.89Å; E328-H344 PolarHBondContact OE2-CE1 2.91Å; E328-H344 IonicContact OE2-ND1 3.67Å; E328-H344 IonicContact OE2-NE2 3.45Å
329L94.8Very high89.9Confident18 Ų1847.8 Ų47.89%0.09425%0.249CC..EExtended strand (participates in β ladder)trans-73.6103.4175.3178.862.5000109.5V309 I312 Q313 V326 H327 I331 T342 A343 F364V309-L329 HydrophobicContact CG1-CD2 3.71Å; V309-L329 HydrophobicContact CG1-CG 3.94Å; I312-L329 HydrophobicContact CG2-CD2 4.49Å; Q313-L329 HydrophobicContact CB-CD2 3.87Å; Q313-L329 HydrophobicContact CG-CD2 4.46Å; V326-L329 HydrophobicContact CG1-CB 4.26Å; H327-L329 PolarHBondContact O-N 2.87Å; L329-I331 HydrophobicContact CD1-CD1 4.31Å; L329-I331 HydrophobicContact CD1-CG1 4.14Å; L329-I331 HydrophobicContact CD2-CD1 4.47Å; L329-I331 HydrophobicContact CG-CD1 4.39Å; L329-I331 HydrophobicContact CG-CG1 4.36Å; L329-T342 WeakPolarHBondContact CA-O 3.4Å; L329-A343 HydrophobicContact CD1-CB 3.77Å; L329-F364 HydrophobicContact CD1-CE1 4.17Å; L329-F364 HydrophobicContact CD1-CZ 3.91Å
330H94.9Very high90Very high106 Ų10645 Ų4549%0.49123%0.228SC..EExtended strand (participates in β ladder)trans-111.4128173.6-62.5-69.3000109.9E328 W332 A341 T342E328-H330 PolarHBondContact O-CD2 3.27Å; E328-H330 PolarHBondContact O-N 2.87Å; E328-H330 VanDerWaalsContact O-N 3.11Å; H330-W332 HydrophobicContact CB-CE3 4.07Å; H330-W332 HydrophobicContact CB-CZ3 3.87Å; H330-A341 CarbonylContact O-C 3.57Å; H330-A341 VanDerWaalsContact O-CA 3.24Å; H330-A341 WeakPolarHBondContact O-CA 3.44Å; H330-T342 PolarHBondContact N-O 2.9Å; H330-T342 PolarHBondContact O-N 3.43Å
331I95.1Very high90.2Very high9 Ų944.6 Ų44.65%0.04623%0.226CC..EExtended strand (participates in β ladder)trans-125.1129.5176.1-57.2175.1000106.9V303 I307 V309 I312 L329 I339 I340 A341 I369V303-I331 WeakPolarHBondContact CG2-O 3.08Å; I307-I331 HydrophobicContact CG2-CD1 4.17Å; V309-I331 HydrophobicContact CG1-CD1 4.33Å; V309-I331 HydrophobicContact CG2-CD1 4.35Å; I312-I331 HydrophobicContact CD1-CD1 4.13Å; I312-I331 HydrophobicContact CG2-CD1 4.43Å; L329-I331 HydrophobicContact CD1-CD1 4.31Å; L329-I331 HydrophobicContact CD1-CG1 4.14Å; L329-I331 HydrophobicContact CD2-CD1 4.47Å; L329-I331 HydrophobicContact CG-CD1 4.39Å; L329-I331 HydrophobicContact CG-CG1 4.36Å; I331-I339 HydrophobicContact CG2-CG2 3.67Å; I331-I340 WeakPolarHBondContact CA-O 3.35Å; I331-A341 HydrophobicContact CG1-CB 3.93Å; I331-I369 HydrophobicContact CD1-CD1 3.97Å; I331-I369 HydrophobicContact CG1-CD1 4.47Å; I331-I369 HydrophobicContact CG2-CD1 4.23Å
332W93.3Very high90.4Very high50 Ų5039 Ų3919%0.18920%0.197CC..EExtended strand (participates in β ladder)trans-145.9156.9177.466.293.6000112.2Q301 H330 I340 T342Q301-W332 HydrophobicContact CB-CB 4.01Å; Q301-W332 HydrophobicContact CB-CG 4.29Å; Q301-W332 WeakPolarHBondContact O-CB 3.49Å; H330-W332 HydrophobicContact CB-CE3 4.07Å; H330-W332 HydrophobicContact CB-CZ3 3.87Å; W332-I340 HydrophobicContact CD2-CB 4.34Å; W332-I340 HydrophobicContact CH2-CG2 3.88Å; W332-I340 HydrophobicContact CZ2-CB 3.98Å; W332-I340 HydrophobicContact CZ2-CG2 3.49Å; W332-I340 VanDerWaalsContact CZ2-CG2 3.49Å; W332-I340 HydrophobicContact CZ3-CG2 4.5Å; W332-I340 PolarHBondContact N-O 3.14Å; W332-I340 PolarHBondContact O-N 3.33Å; W332-T342 HydrophobicContact CH2-CG2 3.4Å; W332-T342 HydrophobicContact CZ3-CG2 3.72Å
333R89.1Confident90.7Very high49 Ų4938.1 Ų38.119%0.18519%0.188CC..EExtended strand (participates in β ladder)trans-87.8119.3175.9-165.8167.3-179.8-165.94.8110I298 T302 P304 G336I298-R333 HydrophobicContact CG2-CG 4.38Å; T302-R333 PolarHBondContact O-N 3.44Å; T302-R333 VanDerWaalsContact O-N 3.12Å; P304-R333 HydrophobicContact CG-CB 4.29Å; R333-G336 PolarHBondContact NE-O 3.08Å; R333-G336 PolarHBondContact NH2-O 3.42Å
334L86.3Confident90.8Very high11 Ų1138.7 Ų38.76%0.05819%0.19CC..EExtended strand (participates in β ladder)trans-78.6-51176.9179.163.3000111.7F71 I74 R75 K338 I340F71-L334 HydrophobicContact CB-CD2 4.4Å; F71-L334 HydrophobicContact CD1-CD2 3.79Å; F71-L334 HydrophobicContact CE1-CD2 4.38Å; F71-L334 HydrophobicContact CG-CD2 4.25Å; I74-L334 HydrophobicContact CG2-CD1 4.49Å; I74-L334 HydrophobicContact CG2-CD2 3.94Å; I74-L334 HydrophobicContact CG2-CG 4.01Å; R75-L334 HydrophobicContact CG-CD1 4.26Å; L334-K338 HydrophobicContact CB-CB 4.5Å; L334-K338 PolarHBondContact N-O 3.28Å; L334-I340 HydrophobicContact CB-CD1 3.97Å; L334-I340 HydrophobicContact CB-CG1 4.31Å; L334-I340 HydrophobicContact CD2-CD1 3.8Å; L334-I340 HydrophobicContact CG-CD1 4.31Å
335A82.3Confident90.9Very high2 Ų235 Ų352%0.01717%0.171CC..EExtended strand (participates in β ladder)trans-172.3142.1175.500000109.6I74 V78 N337 K338I74-A335 HydrophobicContact CB-CB 4.49Å; I74-A335 HydrophobicContact CD1-CB 3.83Å; I74-A335 HydrophobicContact CG1-CB 3.65Å; I74-A335 HydrophobicContact CG2-CB 4.39Å; V78-A335 HydrophobicContact CG2-CB 3.99Å; A335-N337 PolarHBondContact O-N 2.93Å; A335-K338 WeakPolarHBondContact O-CB 3.16Å; A335-K338 PolarHBondContact O-N 2.97Å
336G78.9Confident91Very high4 Ų435.9 Ų35.94%0.04117%0.171CC..THydrogen-bonded Turntrans51.7-129178.400000111.2R333 K338R333-G336 PolarHBondContact NE-O 3.08Å; R333-G336 PolarHBondContact NH2-O 3.42Å; G336-K338 VanDerWaalsContact C-N 3.34Å
337N78.9Confident90.9Very high85 Ų8535.5 Ų35.546%0.45517%0.168SC..THydrogen-bonded Turntrans-91.510.6178.4-65.8-9000114T212 A335 I339T212-N337 WeakPolarHBondContact CB-ND2 3.47Å; A335-N337 PolarHBondContact O-N 2.93Å; N337-I339 PolarHBondContact O-N 2.93Å
338K85.3Confident90.8Very high76 Ų7639.1 Ų39.133%0.3318%0.178SC..EExtended strand (participates in β ladder)trans-82.2101.3177.4-58.5-161.9-154.7-80.10109.8I74 D210 L334 A335 G336I74-K338 HydrophobicContact CD1-CD 3.38Å; I74-K338 HydrophobicContact CD1-CG 4.21Å; D210-K338 VanDerWaalsContact OD1-CE 3.29Å; D210-K338 WeakPolarHBondContact OD1-CE 3.49Å; D210-K338 IonicContact OD1-NZ 2.99Å; D210-K338 PolarHBondContact OD1-NZ 3.31Å; L334-K338 HydrophobicContact CB-CB 4.5Å; L334-K338 PolarHBondContact N-O 3.28Å; A335-K338 WeakPolarHBondContact O-CB 3.16Å; A335-K338 PolarHBondContact O-N 2.97Å; G336-K338 VanDerWaalsContact C-N 3.34Å
339I91.6Very high90.7Very high9 Ų936.6 Ų36.65%0.04617%0.169CC..EExtended strand (participates in β ladder)trans-102.7133.3178.1-55164000108.3P304 I307 I331 N337 I369 H370P304-I339 HydrophobicContact CB-CD1 4.42Å; P304-I339 HydrophobicContact CG-CD1 3.78Å; P304-I339 HydrophobicContact CG-CG1 3.83Å; P304-I339 HydrophobicContact CG-CG2 4.19Å; I307-I339 HydrophobicContact CD1-CD1 3.86Å; I307-I339 HydrophobicContact CD1-CG2 4.31Å; I331-I339 HydrophobicContact CG2-CG2 3.67Å; N337-I339 PolarHBondContact O-N 2.93Å; I339-I369 HydrophobicContact CB-CG1 4.46Å; I339-I369 HydrophobicContact CG2-CG1 3.88Å; I339-I369 HydrophobicContact CG2-CG2 4.49Å; I339-H370 PolarHBondContact O-N 2.93Å
340I93.3Very high90.5Very high14 Ų1440.9 Ų40.97%0.07219%0.191CC..EExtended strand (participates in β ladder)trans-114.2140.3177-59.8-179.5000108.2F71 I331 W332 L334 S371F71-I340 HydrophobicContact CE1-CD1 3.86Å; F71-I340 HydrophobicContact CZ-CD1 4.24Å; I331-I340 WeakPolarHBondContact CA-O 3.35Å; W332-I340 HydrophobicContact CD2-CB 4.34Å; W332-I340 HydrophobicContact CH2-CG2 3.88Å; W332-I340 HydrophobicContact CZ2-CB 3.98Å; W332-I340 HydrophobicContact CZ2-CG2 3.49Å; W332-I340 VanDerWaalsContact CZ2-CG2 3.49Å; W332-I340 HydrophobicContact CZ3-CG2 4.5Å; W332-I340 PolarHBondContact N-O 3.14Å; W332-I340 PolarHBondContact O-N 3.33Å; L334-I340 HydrophobicContact CB-CD1 3.97Å; L334-I340 HydrophobicContact CB-CG1 4.31Å; L334-I340 HydrophobicContact CD2-CD1 3.8Å; L334-I340 HydrophobicContact CG-CD1 4.31Å; I340-S371 VanDerWaalsContact CA-O 3.32Å; I340-S371 WeakPolarHBondContact CA-O 3.33Å
341A95.6Very high90.2Very high0 Ų041.5 Ų41.50%019%0.194CC..EExtended strand (participates in β ladder)trans-125146.3168.300000111.6H330 I331 F364 I369 S371 T372 T373H330-A341 CarbonylContact O-C 3.57Å; H330-A341 VanDerWaalsContact O-CA 3.24Å; H330-A341 WeakPolarHBondContact O-CA 3.44Å; I331-A341 HydrophobicContact CG1-CB 3.93Å; A341-F364 HydrophobicContact CB-CE1 4.35Å; A341-I369 HydrophobicContact CB-CD1 4.35Å; A341-I369 HydrophobicContact CB-CG2 3.64Å; A341-S371 PolarHBondContact N-O 3.36Å; A341-T372 HydrophobicContact CB-CG2 4.44Å; A341-T372 CarbonylContact O-C 3.5Å; A341-T372 VanDerWaalsContact O-CA 3.3Å; A341-T372 WeakPolarHBondContact O-CA 3.3Å; A341-T373 PolarHBondContact O-N 3.49Å
342T95.5Very high89.9Confident34 Ų3443.1 Ų43.121%0.20920%0.203CC..EExtended strand (participates in β ladder)trans-123.5136.1164.959.60000108.2L329 H330 W332 T373L329-T342 WeakPolarHBondContact CA-O 3.4Å; H330-T342 PolarHBondContact N-O 2.9Å; H330-T342 PolarHBondContact O-N 3.43Å; W332-T342 HydrophobicContact CH2-CG2 3.4Å; W332-T342 HydrophobicContact CZ3-CG2 3.72Å; T342-T373 VanDerWaalsContact CA-O 3.3Å; T342-T373 WeakPolarHBondContact CA-O 3.32Å
343A96Very high89.9Confident1 Ų142.1 Ų42.11%0.00820%0.199CC..EExtended strand (participates in β ladder)trans-143.7140.1178.900000110.2L329 I345 F364 T373 I374 Q375L329-A343 HydrophobicContact CD1-CB 3.77Å; A343-I345 HydrophobicContact CB-CG1 4.45Å; A343-F364 HydrophobicContact CB-CE2 4.47Å; A343-F364 HydrophobicContact CB-CZ 4.28Å; A343-T373 PolarHBondContact N-O 3.17Å; A343-I374 WeakPolarHBondContact O-CA 3.4Å; A343-Q375 PolarHBondContact O-N 3.43Å
344H95.1Very high90Very high26 Ų2646.2 Ų46.212%0.1222%0.222CC..EExtended strand (participates in β ladder)trans-97.2127.9168.2-63.9-170000108.3V326 H327 E328 Q375 E377V326-H344 CarbonylContact C-O 3.59Å; V326-H344 WeakPolarHBondContact CA-O 3.37Å; H327-H344 HydrophobicContact CB-CB 4.12Å; H327-H344 PolarHBondContact N-O 2.88Å; H327-H344 WeakPolarHBondContact O-CB 3.46Å; H327-H344 PolarHBondContact O-N 2.94Å; E328-H344 IonicContact OE2-CE1 2.89Å; E328-H344 PolarHBondContact OE2-CE1 2.91Å; E328-H344 IonicContact OE2-ND1 3.67Å; E328-H344 IonicContact OE2-NE2 3.45Å; H344-Q375 CarbonylContact C-O 3.57Å; H344-Q375 VanDerWaalsContact CA-O 3.3Å; H344-Q375 WeakPolarHBondContact CA-O 3.29Å; H344-Q375 PolarHBondContact CE1-NE2 2.87Å; H344-Q375 VanDerWaalsContact CE1-NE2 3.32Å; H344-E377 HydrophobicContact CB-CG 4.39Å; H344-E377 IonicContact CG-OE1 2.73Å; H344-E377 IonicContact ND1-OE1 3.05Å; H344-E377 PolarHBondContact ND1-OE1 3.34Å
345I94.5Very high90.2Very high1 Ų151.4 Ų51.41%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-121117.8-172.8-60.9-170.7000109.2V323 A343 I356 V360 I374 Q375 E377V323-I345 HydrophobicContact CB-CG2 4.46Å; V323-I345 HydrophobicContact CG1-CG2 3.91Å; V323-I345 HydrophobicContact CG2-CG2 3.99Å; A343-I345 HydrophobicContact CB-CG1 4.45Å; I345-I356 HydrophobicContact CG2-CD1 4.22Å; I345-V360 HydrophobicContact CD1-CB 4.21Å; I345-V360 HydrophobicContact CD1-CG1 3.47Å; I345-V360 VanDerWaalsContact CD1-CG1 3.47Å; I345-V360 HydrophobicContact CD1-CG2 3.77Å; I345-I374 HydrophobicContact CB-CG2 4.22Å; I345-I374 HydrophobicContact CD1-CG2 3.56Å; I345-I374 HydrophobicContact CG1-CG2 3.83Å; I345-Q375 PolarHBondContact N-O 2.8Å; I345-E377 PolarHBondContact O-N 3.4Å
346H93.4Very high90.7Very high44 Ų4451.7 Ų51.720%0.20425%0.246CC..EExtended strand (participates in β ladder)trans-81.6121.9178.6-155.876000110.5L324 A325 E377 V379L324-H346 HydrophobicContact CB-CB 4.36Å; L324-H346 WeakPolarHBondContact CB-O 3.28Å; L324-H346 PolarHBondContact N-O 3.05Å; A325-H346 HydrophobicContact CB-CB 3.82Å; A325-H346 PolarHBondContact O-N 3.17Å; H346-E377 CarbonylContact C-O 3.55Å; H346-E377 WeakPolarHBondContact CA-O 3.24Å; H346-V379 WeakPolarHBondContact NE2-CG2 3.37Å
347C91.3Very high91.3Very high0 Ų052.1 Ų52.10%025%0.248CC..EExtended strand (participates in β ladder)trans-129157.2-175.7-53.30000110.1I356 E377 F378 V379C347-I356 WeakPolarHBondContact SG-CD1 3.28Å; C347-E377 PolarHBondContact N-O 3.18Å; C347-F378 HydrophobicContact CB-CD1 4.19Å; C347-F378 HydrophobicContact CB-CE1 4.26Å; C347-F378 WeakPolarHBondContact O-CA 3.44Å; C347-V379 PolarHBondContact O-N 3.34Å
348R90Very high91.9Very high162 Ų16255.4 Ų55.461%0.61126%0.261SS*.SBendtrans-67.6-45.8177.4-65.2176.9179.2170.12.8112.4L324L324-R348 HydrophobicContact CD1-CG 3.8Å; L324-R348 HydrophobicContact CD2-CG 4.44Å; L324-R348 HydrophobicContact CG-CG 4.4Å
349N89.9Confident92.3Very high68 Ų6857.7 Ų57.736%0.36427%0.271SS..SBendtrans-152.1173.2-177.664.230.6000111.1E351 D352 Y353 F378N349-E351 VanDerWaalsContact C-N 3.31Å; N349-E351 PolarHBondContact O-N 3.46Å; N349-E351 PolarHBondContact OD1-N 3.46Å; N349-E351 VanDerWaalsContact OD1-N 3.17Å; N349-D352 VanDerWaalsContact OD1-CB 3.3Å; N349-D352 WeakPolarHBondContact OD1-CB 3.46Å; N349-D352 PolarHBondContact OD1-N 3Å; N349-D352 PolarHBondContact OD1-OD1 2.9Å; N349-D352 PolarHBondContact OD1-OD2 3.44Å; N349-Y353 PolarHBondContact O-N 3.4Å; N349-F378 VanDerWaalsContact O-CE1 3.32Å; N349-F378 WeakPolarHBondContact O-CE1 3.32Å
350L90.4Very high92.5Very high107 Ų10757.3 Ų57.356%0.5627%0.269SS*.Hα-helixtrans-64.5-33.2179.4-179.263.9000112.8Y353 M354 F378L350-Y353 HydrophobicContact CD1-CD1 4.33Å; L350-Y353 PolarHBondContact O-N 2.89Å; L350-M354 HydrophobicContact CD1-CG 4.49Å; L350-M354 VanDerWaalsContact O-CG 3.29Å; L350-M354 WeakPolarHBondContact O-CG 3.3Å; L350-M354 PolarHBondContact O-N 2.85Å; L350-F378 HydrophobicContact CB-CE1 4.29Å; L350-F378 HydrophobicContact CB-CZ 4.04Å; L350-F378 HydrophobicContact CD1-CE2 4.42Å; L350-F378 HydrophobicContact CD1-CZ 3.73Å
351E88.5Confident92.5Very high119 Ų11962 Ų6256%0.55629%0.289SS*.Hα-helixtrans-66.9-44.3-178.5-166.8-172.7152.700111.6N349 Y353 M354 K355N349-E351 VanDerWaalsContact C-N 3.31Å; N349-E351 PolarHBondContact O-N 3.46Å; N349-E351 PolarHBondContact OD1-N 3.46Å; N349-E351 VanDerWaalsContact OD1-N 3.17Å; E351-Y353 VanDerWaalsContact C-N 3.33Å; E351-M354 PolarHBondContact O-N 3.5Å; E351-K355 PolarHBondContact O-N 2.89Å; E351-K355 IonicContact OE1-NZ 3.89Å; E351-K355 PolarHBondContact OE1-NZ 2.82Å
352D89.8Confident92.4Very high43 Ų4365.4 Ų65.423%0.2331%0.305CS..Hα-helixtrans-62.3-44175-67.2-14.6000109.9N349 M354 K355 I356N349-D352 VanDerWaalsContact OD1-CB 3.3Å; N349-D352 WeakPolarHBondContact OD1-CB 3.46Å; N349-D352 PolarHBondContact OD1-N 3Å; N349-D352 PolarHBondContact OD1-OD1 2.9Å; N349-D352 PolarHBondContact OD1-OD2 3.44Å; D352-M354 VanDerWaalsContact C-N 3.33Å; D352-M354 PolarHBondContact O-N 3.4Å; D352-K355 PolarHBondContact O-N 3.36Å; D352-K355 VanDerWaalsContact O-N 3.13Å; D352-I356 WeakPolarHBondContact O-CG1 3.28Å; D352-I356 WeakPolarHBondContact O-CG2 3.35Å; D352-I356 PolarHBondContact O-N 3.11Å
353Y92.9Very high92.3Very high29 Ų2965 Ų6511%0.11430%0.301CS..Hα-helixtrans-56.3-45.6175.3175.5-108.7000112.4N349 L350 E351 K355 I356 A357 I374 P376N349-Y353 PolarHBondContact O-N 3.4Å; L350-Y353 HydrophobicContact CD1-CD1 4.33Å; L350-Y353 PolarHBondContact O-N 2.89Å; E351-Y353 VanDerWaalsContact C-N 3.33Å; Y353-K355 PolarHBondContact O-N 3.11Å; Y353-I356 HydrophobicContact CD2-CG1 4.43Å; Y353-I356 WeakPolarHBondContact O-CG1 3.32Å; Y353-I356 PolarHBondContact O-N 2.98Å; Y353-A357 HydrophobicContact CD2-CB 4.37Å; Y353-A357 HydrophobicContact CE1-CB 4.23Å; Y353-A357 HydrophobicContact CE2-CB 3.94Å; Y353-A357 WeakPolarHBondContact O-CB 3.48Å; Y353-A357 PolarHBondContact O-N 3.26Å; Y353-I374 HydrophobicContact CE2-CG2 3.74Å; Y353-I374 PolarHBondContact OH-O 3.32Å; Y353-P376 HydrophobicContact CD1-CB 3.93Å; Y353-P376 HydrophobicContact CD1-CG 4.11Å; Y353-P376 HydrophobicContact CD2-CB 3.67Å; Y353-P376 HydrophobicContact CE1-CB 3.98Å; Y353-P376 HydrophobicContact CE1-CG 3.82Å; Y353-P376 HydrophobicContact CE2-CB 3.73Å; Y353-P376 HydrophobicContact CE2-CG 4.28Å; Y353-P376 HydrophobicContact CG-CB 3.75Å; Y353-P376 HydrophobicContact CG-CG 4.44Å
354M91.1Very high92.3Very high135 Ų13565 Ų6567%0.66530%0.3SS*.Hα-helixtrans-63.4-29.7-179.4-68-63.1-7600112.6L350 E351 D352L350-M354 HydrophobicContact CD1-CG 4.49Å; L350-M354 VanDerWaalsContact O-CG 3.29Å; L350-M354 WeakPolarHBondContact O-CG 3.3Å; L350-M354 PolarHBondContact O-N 2.85Å; E351-M354 PolarHBondContact O-N 3.5Å; D352-M354 VanDerWaalsContact C-N 3.33Å; D352-M354 PolarHBondContact O-N 3.4Å
355K89.3Confident92.1Very high120 Ų12068.4 Ų68.452%0.52232%0.316SS..Hα-helixtrans-78.8-37.8176-66.1171.1-171.2163.10112.4E351 D352 Y353E351-K355 PolarHBondContact O-N 2.89Å; E351-K355 IonicContact OE1-NZ 3.89Å; E351-K355 PolarHBondContact OE1-NZ 2.82Å; D352-K355 PolarHBondContact O-N 3.36Å; D352-K355 VanDerWaalsContact O-N 3.13Å; Y353-K355 PolarHBondContact O-N 3.11Å
356I92.7Very high92Very high9 Ų977.4 Ų77.45%0.04635%0.35CS..Hα-helixtrans-85.4-26.7-178.170.9178.6000113.2I320 V323 I345 C347 D352 Y353 E358 K359 V360I320-I356 HydrophobicContact CG2-CB 4.15Å; I320-I356 HydrophobicContact CG2-CG2 4.27Å; V323-I356 HydrophobicContact CG2-CD1 3.98Å; I345-I356 HydrophobicContact CG2-CD1 4.22Å; C347-I356 WeakPolarHBondContact SG-CD1 3.28Å; D352-I356 WeakPolarHBondContact O-CG1 3.28Å; D352-I356 WeakPolarHBondContact O-CG2 3.35Å; D352-I356 PolarHBondContact O-N 3.11Å; Y353-I356 HydrophobicContact CD2-CG1 4.43Å; Y353-I356 WeakPolarHBondContact O-CG1 3.32Å; Y353-I356 PolarHBondContact O-N 2.98Å; I356-E358 PolarHBondContact O-N 3.17Å; I356-E358 VanDerWaalsContact O-N 3.17Å; I356-K359 WeakPolarHBondContact O-CA 3.35Å; I356-K359 WeakPolarHBondContact O-CB 3.43Å; I356-K359 PolarHBondContact O-N 3.02Å; I356-V360 WeakPolarHBondContact O-CG2 3.42Å; I356-V360 PolarHBondContact O-N 3.31Å
357A92.5Very high91.9Very high12 Ų1278.3 Ų78.310%0.09935%0.354CS..Hα-helixtrans-58.7-34.9-173.100000112.6Y353 K361Y353-A357 HydrophobicContact CD2-CB 4.37Å; Y353-A357 HydrophobicContact CE1-CB 4.23Å; Y353-A357 HydrophobicContact CE2-CB 3.94Å; Y353-A357 WeakPolarHBondContact O-CB 3.48Å; Y353-A357 PolarHBondContact O-N 3.26Å; A357-K361 VanDerWaalsContact O-CG 3.28Å; A357-K361 WeakPolarHBondContact O-CG 3.3Å; A357-K361 PolarHBondContact O-N 2.86Å; A357-K361 VanDerWaalsContact O-N 3.14Å
358E91.6Very high91.7Very high154 Ų15479.5 Ų79.572%0.7237%0.367SS*.Hα-helixtrans-69.7-43.3174.1-171.2167.9-164.700111.8I356 V360 K361 E362I356-E358 PolarHBondContact O-N 3.17Å; I356-E358 VanDerWaalsContact O-N 3.17Å; E358-V360 VanDerWaalsContact C-N 3.34Å; E358-V360 PolarHBondContact O-N 3.47Å; E358-K361 PolarHBondContact O-N 2.83Å; E358-E362 PolarHBondContact O-N 2.88Å
359K93.3Very high91.8Very high125 Ų12571.9 Ų71.954%0.54334%0.338SS..Hα-helixtrans-60.7-42.1175.9-60.5-177.2180-178.60111.9I320 I356 E362 F363I320-K359 HydrophobicContact CD1-CB 4.13Å; I320-K359 HydrophobicContact CG2-CB 4.28Å; I320-K359 HydrophobicContact CG2-CD 4.47Å; I356-K359 WeakPolarHBondContact O-CA 3.35Å; I356-K359 WeakPolarHBondContact O-CB 3.43Å; I356-K359 PolarHBondContact O-N 3.02Å; K359-E362 PolarHBondContact O-N 3.29Å; K359-F363 WeakPolarHBondContact O-CB 3.18Å; K359-F363 PolarHBondContact O-N 2.88Å
360V95Very high91.5Very high1 Ų173.8 Ų73.81%0.00635%0.345CS..Hα-helixtrans-64-46177.2174.40000110.9L316 I320 V323 I345 I356 E358 E362 F363 F364 I374L316-V360 HydrophobicContact CD1-CG1 4.23Å; L316-V360 HydrophobicContact CD1-CG2 4.34Å; I320-V360 HydrophobicContact CD1-CB 4.15Å; I320-V360 HydrophobicContact CD1-CG2 3.64Å; V323-V360 HydrophobicContact CG2-CG2 4.5Å; I345-V360 HydrophobicContact CD1-CB 4.21Å; I345-V360 HydrophobicContact CD1-CG1 3.47Å; I345-V360 VanDerWaalsContact CD1-CG1 3.47Å; I345-V360 HydrophobicContact CD1-CG2 3.77Å; I356-V360 WeakPolarHBondContact O-CG2 3.42Å; I356-V360 PolarHBondContact O-N 3.31Å; E358-V360 VanDerWaalsContact C-N 3.34Å; E358-V360 PolarHBondContact O-N 3.47Å; V360-E362 VanDerWaalsContact C-N 3.29Å; V360-E362 PolarHBondContact O-N 3.45Å; V360-F363 WeakPolarHBondContact O-CB 3.36Å; V360-F363 PolarHBondContact O-N 2.91Å; V360-F364 HydrophobicContact CG1-CD2 3.78Å; V360-F364 HydrophobicContact CG1-CE2 3.62Å; V360-F364 VanDerWaalsContact O-CD2 3.29Å; V360-F364 WeakPolarHBondContact O-CD2 3.3Å; V360-F364 PolarHBondContact O-N 3.05Å; V360-F364 VanDerWaalsContact O-N 3.08Å; V360-I374 HydrophobicContact CB-CD1 3.85Å; V360-I374 HydrophobicContact CG1-CD1 3.43Å; V360-I374 VanDerWaalsContact CG1-CD1 3.43Å; V360-I374 HydrophobicContact CG1-CG1 4.09Å
361K93.6Very high91.5Very high112 Ų11271.9 Ų71.949%0.48734%0.34SS..Hα-helixtrans-60.2-41.9176.1-74.7175.8-178175.80111.4A357 E358 H365 I374A357-K361 VanDerWaalsContact O-CG 3.28Å; A357-K361 WeakPolarHBondContact O-CG 3.3Å; A357-K361 PolarHBondContact O-N 2.86Å; A357-K361 VanDerWaalsContact O-N 3.14Å; E358-K361 PolarHBondContact O-N 2.83Å; K361-H365 WeakPolarHBondContact O-CB 3.41Å; K361-H365 PolarHBondContact O-N 3.13Å; K361-I374 HydrophobicContact CG-CD1 3.67Å
362E93.2Very high91.8Very high71 Ų7167.9 Ų67.933%0.33232%0.324SS..Hα-helixtrans-66-41.1177.2-168.5178.9176.800112.1E358 K359 V360 H365 R366E358-E362 PolarHBondContact O-N 2.88Å; K359-E362 PolarHBondContact O-N 3.29Å; V360-E362 VanDerWaalsContact C-N 3.29Å; V360-E362 PolarHBondContact O-N 3.45Å; E362-H365 WeakPolarHBondContact O-CB 3.46Å; E362-H365 PolarHBondContact O-N 3.36Å; E362-R366 WeakPolarHBondContact O-CG 3.48Å; E362-R366 PolarHBondContact O-N 3.19Å; E362-R366 IonicContact OE1-CZ 3.78Å; E362-R366 IonicContact OE1-NE 2.98Å; E362-R366 PolarHBondContact OE1-NE 2.99Å; E362-R366 IonicContact OE1-NH2 3.97Å; E362-R366 PolarHBondContact OE1-NH2 3.32Å
363F94.8Very high92.1Very high27 Ų2770.2 Ų70.212%0.11834%0.34CS..Hα-helixtrans-56.1-52.5175.3169.8-91.9000111.6I312 K315 L316 I320 K359 V360 H365 R366 E367I312-F363 HydrophobicContact CG2-CE1 3.91Å; I312-F363 HydrophobicContact CG2-CZ 4.38Å; K315-F363 HydrophobicContact CB-CE2 3.96Å; K315-F363 HydrophobicContact CB-CZ 3.72Å; L316-F363 HydrophobicContact CB-CD1 4.4Å; L316-F363 HydrophobicContact CB-CE1 3.83Å; L316-F363 HydrophobicContact CB-CZ 4.09Å; L316-F363 HydrophobicContact CD1-CD1 3.63Å; L316-F363 HydrophobicContact CD1-CE1 3.95Å; L316-F363 HydrophobicContact CD1-CG 4.06Å; L316-F363 HydrophobicContact CG-CE1 4.39Å; I320-F363 HydrophobicContact CD1-CB 4.08Å; K359-F363 WeakPolarHBondContact O-CB 3.18Å; K359-F363 PolarHBondContact O-N 2.88Å; V360-F363 WeakPolarHBondContact O-CB 3.36Å; V360-F363 PolarHBondContact O-N 2.91Å; F363-H365 VanDerWaalsContact C-N 3.3Å; F363-H365 PolarHBondContact O-N 2.78Å; F363-R366 WeakPolarHBondContact O-CB 3.29Å; F363-R366 PolarHBondContact O-N 3.38Å; F363-R366 VanDerWaalsContact O-N 3.14Å; F363-E367 HydrophobicContact CE1-CG 4.32Å; F363-E367 HydrophobicContact CE2-CG 4.49Å; F363-E367 HydrophobicContact CZ-CG 4.16Å; F363-E367 PolarHBondContact O-N 3.28Å; F363-E367 VanDerWaalsContact O-N 3.09Å
364F94.8Very high92.2Very high1 Ų169.7 Ų69.70%0.00434%0.339CS..Hα-helixtrans-62.4-37.6177.4-80.3-60.7000112.4I312 L316 L329 A341 A343 V360 R366 E367 G368 I369 T372I312-F364 HydrophobicContact CG2-CD1 4.48Å; I312-F364 HydrophobicContact CG2-CE1 3.9Å; L316-F364 HydrophobicContact CD2-CE2 4.18Å; L316-F364 HydrophobicContact CD2-CZ 3.95Å; L329-F364 HydrophobicContact CD1-CE1 4.17Å; L329-F364 HydrophobicContact CD1-CZ 3.91Å; A341-F364 HydrophobicContact CB-CE1 4.35Å; A343-F364 HydrophobicContact CB-CE2 4.47Å; A343-F364 HydrophobicContact CB-CZ 4.28Å; V360-F364 HydrophobicContact CG1-CD2 3.78Å; V360-F364 HydrophobicContact CG1-CE2 3.62Å; V360-F364 VanDerWaalsContact O-CD2 3.29Å; V360-F364 WeakPolarHBondContact O-CD2 3.3Å; V360-F364 PolarHBondContact O-N 3.05Å; V360-F364 VanDerWaalsContact O-N 3.08Å; F364-R366 VanDerWaalsContact C-N 3.31Å; F364-R366 PolarHBondContact O-N 2.9Å; F364-E367 CarbonylContact O-C 3.49Å; F364-E367 PolarHBondContact O-N 3.03Å; F364-G368 PolarHBondContact O-N 3.34Å; F364-I369 CarbonylContact C-O 3.06Å; F364-I369 HydrophobicContact CB-CB 4.16Å; F364-I369 HydrophobicContact CB-CG2 4.44Å; F364-I369 HydrophobicContact CD1-CB 4.46Å; F364-I369 HydrophobicContact CD1-CD1 3.61Å; F364-I369 HydrophobicContact CE1-CD1 4.2Å; F364-I369 WeakPolarHBondContact O-CA 3.47Å; F364-I369 WeakPolarHBondContact O-CB 3.4Å; F364-I369 PolarHBondContact O-N 2.75Å; F364-T372 HydrophobicContact CB-CG2 3.33Å; F364-T372 HydrophobicContact CD1-CG2 4.46Å; F364-T372 HydrophobicContact CD2-CG2 3.74Å; F364-T372 HydrophobicContact CG-CG2 3.62Å
365H92.3Very high92.3Very high97 Ų9768 Ų6845%0.44933%0.33SS..Hα-helixtrans-62.3-38.4175.5-170.962.4000112.3K361 E362 F363 G368 I369K361-H365 WeakPolarHBondContact O-CB 3.41Å; K361-H365 PolarHBondContact O-N 3.13Å; E362-H365 WeakPolarHBondContact O-CB 3.46Å; E362-H365 PolarHBondContact O-N 3.36Å; F363-H365 VanDerWaalsContact C-N 3.3Å; F363-H365 PolarHBondContact O-N 2.78Å; H365-G368 PolarHBondContact O-N 3.27Å; H365-G368 VanDerWaalsContact O-N 3.15Å; H365-I369 WeakPolarHBondContact CA-O 3.48Å
366R91.4Very high92.6Very high189 Ų18964.3 Ų64.371%0.71332%0.318SS*.Hα-helixtrans-67-34.1174.9-69.4177.7-171.9-156.36.4112.6E362 F363 F364 G368E362-R366 WeakPolarHBondContact O-CG 3.48Å; E362-R366 PolarHBondContact O-N 3.19Å; E362-R366 IonicContact OE1-CZ 3.78Å; E362-R366 IonicContact OE1-NE 2.98Å; E362-R366 PolarHBondContact OE1-NE 2.99Å; E362-R366 IonicContact OE1-NH2 3.97Å; E362-R366 PolarHBondContact OE1-NH2 3.32Å; F363-R366 WeakPolarHBondContact O-CB 3.29Å; F363-R366 PolarHBondContact O-N 3.38Å; F363-R366 VanDerWaalsContact O-N 3.14Å; F364-R366 VanDerWaalsContact C-N 3.31Å; F364-R366 PolarHBondContact O-N 2.9Å; R366-G368 PolarHBondContact O-N 2.93Å
367E90.7Very high92.6Very high63 Ų6366.4 Ų66.429%0.29433%0.327SS..THydrogen-bonded Turntrans-78.56.8173.3-65.2-74.4156.200112.9I312 K315 F363 F364I312-E367 HydrophobicContact CD1-CB 4.34Å; K315-E367 IonicContact NZ-OE1 3.61Å; K315-E367 PolarHBondContact NZ-OE1 3.42Å; K315-E367 IonicContact NZ-OE2 3.81Å; K315-E367 PolarHBondContact NZ-OE2 3.48Å; F363-E367 HydrophobicContact CE1-CG 4.32Å; F363-E367 HydrophobicContact CE2-CG 4.49Å; F363-E367 HydrophobicContact CZ-CG 4.16Å; F363-E367 PolarHBondContact O-N 3.28Å; F363-E367 VanDerWaalsContact O-N 3.09Å; F364-E367 CarbonylContact O-C 3.49Å; F364-E367 PolarHBondContact O-N 3.03Å
368G88.6Confident92.5Very high26 Ų2669.9 Ų69.927%0.26834%0.34SS..THydrogen-bonded Turntrans869175.400000115F364 H365 R366 H370F364-G368 PolarHBondContact O-N 3.34Å; H365-G368 PolarHBondContact O-N 3.27Å; H365-G368 VanDerWaalsContact O-N 3.15Å; R366-G368 PolarHBondContact O-N 2.93Å; G368-H370 PolarHBondContact O-CE1 2.95Å; G368-H370 VanDerWaalsContact O-CE1 3.27Å; G368-H370 PolarHBondContact O-ND1 2.82Å
369I91.4Very high92Very high2 Ų265.9 Ų65.91%0.0133%0.326CS..  trans-92.2112177.4-62.5161.9000108.7I307 I312 I331 I339 A341 F364 H365 T372I307-I369 HydrophobicContact CD1-CD1 4.42Å; I307-I369 HydrophobicContact CD1-CG1 4.24Å; I312-I369 HydrophobicContact CD1-CD1 4.15Å; I331-I369 HydrophobicContact CD1-CD1 3.97Å; I331-I369 HydrophobicContact CG1-CD1 4.47Å; I331-I369 HydrophobicContact CG2-CD1 4.23Å; I339-I369 HydrophobicContact CB-CG1 4.46Å; I339-I369 HydrophobicContact CG2-CG1 3.88Å; I339-I369 HydrophobicContact CG2-CG2 4.49Å; A341-I369 HydrophobicContact CB-CD1 4.35Å; A341-I369 HydrophobicContact CB-CG2 3.64Å; F364-I369 CarbonylContact C-O 3.06Å; F364-I369 HydrophobicContact CB-CB 4.16Å; F364-I369 HydrophobicContact CB-CG2 4.44Å; F364-I369 HydrophobicContact CD1-CB 4.46Å; F364-I369 HydrophobicContact CD1-CD1 3.61Å; F364-I369 HydrophobicContact CE1-CD1 4.2Å; F364-I369 WeakPolarHBondContact O-CA 3.47Å; F364-I369 WeakPolarHBondContact O-CB 3.4Å; F364-I369 PolarHBondContact O-N 2.75Å; H365-I369 WeakPolarHBondContact CA-O 3.48Å; I369-T372 HydrophobicContact CG2-CG2 3.7Å
370H84.6Confident90.9Very high108 Ų10868.3 Ų68.350%0.534%0.34SS..  trans-91.2-15.3-168.2-67.370.1000113.7I339 G368I339-H370 PolarHBondContact O-N 2.93Å; G368-H370 PolarHBondContact O-CE1 2.95Å; G368-H370 VanDerWaalsContact O-CE1 3.27Å; G368-H370 PolarHBondContact O-ND1 2.82Å
371S90.4Very high89.2Confident67 Ų6776.7 Ų76.747%0.46938%0.383SS..EExtended strand (participates in β ladder)trans-139.4117.6179.9-65.70000109.4I340 A341I340-S371 VanDerWaalsContact CA-O 3.32Å; I340-S371 WeakPolarHBondContact CA-O 3.33Å; A341-S371 PolarHBondContact N-O 3.36Å
372T94.5Very high87.3Confident34 Ų3474.2 Ų74.221%0.20938%0.384CS..EExtended strand (participates in β ladder)trans-128.6125.6-173.456.50000109.6A341 F364 I369A341-T372 HydrophobicContact CB-CG2 4.44Å; A341-T372 CarbonylContact O-C 3.5Å; A341-T372 VanDerWaalsContact O-CA 3.3Å; A341-T372 WeakPolarHBondContact O-CA 3.3Å; F364-T372 HydrophobicContact CB-CG2 3.33Å; F364-T372 HydrophobicContact CD1-CG2 4.46Å; F364-T372 HydrophobicContact CD2-CG2 3.74Å; F364-T372 HydrophobicContact CG-CG2 3.62Å; I369-T372 HydrophobicContact CG2-CG2 3.7Å
373T95.1Very high85.1Confident93 Ų9378.5 Ų78.557%0.57141%0.409SS*.EExtended strand (participates in β ladder)trans-103.6123.6168.3-53.10000108.1A341 T342 A343A341-T373 PolarHBondContact O-N 3.49Å; T342-T373 VanDerWaalsContact CA-O 3.3Å; T342-T373 WeakPolarHBondContact CA-O 3.32Å; A343-T373 PolarHBondContact N-O 3.17Å
374I94.9Very high83Confident18 Ų1883.7 Ų83.79%0.09244%0.442CS..EExtended strand (participates in β ladder)trans-114.3122.6-179.3-57.9162.7000107.3A343 I345 Y353 V360 K361A343-I374 WeakPolarHBondContact O-CA 3.4Å; I345-I374 HydrophobicContact CB-CG2 4.22Å; I345-I374 HydrophobicContact CD1-CG2 3.56Å; I345-I374 HydrophobicContact CG1-CG2 3.83Å; Y353-I374 HydrophobicContact CE2-CG2 3.74Å; Y353-I374 PolarHBondContact OH-O 3.32Å; V360-I374 HydrophobicContact CB-CD1 3.85Å; V360-I374 HydrophobicContact CG1-CD1 3.43Å; V360-I374 VanDerWaalsContact CG1-CD1 3.43Å; V360-I374 HydrophobicContact CG1-CG1 4.09Å; K361-I374 HydrophobicContact CG-CD1 3.67Å
375Q94.6Very high80.4Confident100 Ų10093.2 Ų93.247%0.46748%0.484SS..EExtended strand (participates in β ladder)trans-101.3118.1172-179.2170-58.800108.7A343 H344 I345A343-Q375 PolarHBondContact O-N 3.43Å; H344-Q375 CarbonylContact C-O 3.57Å; H344-Q375 VanDerWaalsContact CA-O 3.3Å; H344-Q375 WeakPolarHBondContact CA-O 3.29Å; H344-Q375 PolarHBondContact CE1-NE2 2.87Å; H344-Q375 VanDerWaalsContact CE1-NE2 3.32Å; I345-Q375 PolarHBondContact N-O 2.8Å
376P94.5Very high77.9Confident42 Ų4292.4 Ų92.427%0.27349%0.494SS..EExtended strand (participates in β ladder)trans-75.1136.4173.728.8-31.5000111.1Y353 F378Y353-P376 HydrophobicContact CD1-CB 3.93Å; Y353-P376 HydrophobicContact CD1-CG 4.11Å; Y353-P376 HydrophobicContact CD2-CB 3.67Å; Y353-P376 HydrophobicContact CE1-CB 3.98Å; Y353-P376 HydrophobicContact CE1-CG 3.82Å; Y353-P376 HydrophobicContact CE2-CB 3.73Å; Y353-P376 HydrophobicContact CE2-CG 4.28Å; Y353-P376 HydrophobicContact CG-CB 3.75Å; Y353-P376 HydrophobicContact CG-CG 4.44Å; P376-F378 HydrophobicContact CB-CE1 4.05Å; P376-F378 HydrophobicContact CB-CE2 4.15Å; P376-F378 HydrophobicContact CB-CZ 3.62Å; P376-F378 HydrophobicContact CG-CE2 4.35Å; P376-F378 HydrophobicContact CG-CZ 4.08Å
377E91.9Very high75.4Confident52 Ų5288.9 Ų88.924%0.24350%0.498CS..EExtended strand (participates in β ladder)trans-117.3133.2166.6-67.6177.9170.200108H327 H344 I345 H346 C347H327-E377 IonicContact CE1-OE2 3.85Å; H327-E377 IonicContact CG-OE2 3.95Å; H327-E377 IonicContact ND1-OE2 2.95Å; H327-E377 PolarHBondContact ND1-OE2 3.05Å; H344-E377 HydrophobicContact CB-CG 4.39Å; H344-E377 IonicContact CG-OE1 2.73Å; H344-E377 IonicContact ND1-OE1 3.05Å; H344-E377 PolarHBondContact ND1-OE1 3.34Å; I345-E377 PolarHBondContact O-N 3.4Å; H346-E377 CarbonylContact C-O 3.55Å; H346-E377 WeakPolarHBondContact CA-O 3.24Å; C347-E377 PolarHBondContact N-O 3.18Å
378F91Very high72.9Confident85 Ų8594.1 Ų94.137%0.37352%0.523SS..EExtended strand (participates in β ladder)trans-110.7149.6-177.4-56.3-64.1000110.8C347 N349 L350 P376 E380C347-F378 HydrophobicContact CB-CD1 4.19Å; C347-F378 HydrophobicContact CB-CE1 4.26Å; C347-F378 WeakPolarHBondContact O-CA 3.44Å; N349-F378 VanDerWaalsContact O-CE1 3.32Å; N349-F378 WeakPolarHBondContact O-CE1 3.32Å; L350-F378 HydrophobicContact CB-CE1 4.29Å; L350-F378 HydrophobicContact CB-CZ 4.04Å; L350-F378 HydrophobicContact CD1-CE2 4.42Å; L350-F378 HydrophobicContact CD1-CZ 3.73Å; P376-F378 HydrophobicContact CB-CE1 4.05Å; P376-F378 HydrophobicContact CB-CE2 4.15Å; P376-F378 HydrophobicContact CB-CZ 3.62Å; P376-F378 HydrophobicContact CG-CE2 4.35Å; P376-F378 HydrophobicContact CG-CZ 4.08Å; F378-E380 PolarHBondContact O-N 3.15Å; F378-E380 VanDerWaalsContact O-N 3.15Å
379V82.3Confident70.8Confident70 Ų70102 Ų10242%0.42455%0.553SS.*  trans-61.3117.1168.6-176.50000108.1L324 H346 C347 L381L324-V379 HydrophobicContact CD1-CG2 3.96Å; H346-V379 WeakPolarHBondContact NE2-CG2 3.37Å; C347-V379 PolarHBondContact O-N 3.34Å; V379-L381 PolarHBondContact O-N 3.15Å; V379-L381 VanDerWaalsContact O-N 3.15Å
380E70.2Confident68.6Low177 Ų177111.4 Ų111.483%0.82759%0.593SS**  trans-65.2114.3173.9-138.2170.3-172.600107.9F378 A382F378-E380 PolarHBondContact O-N 3.15Å; F378-E380 VanDerWaalsContact O-N 3.15Å; E380-A382 PolarHBondContact O-N 2.8Å
381L57.7Low67Low176 Ų176113 Ų11392%0.92161%0.61SS**THydrogen-bonded Turntrans-72.564176.3-80.8149.5000110V379V379-L381 PolarHBondContact O-N 3.15Å; V379-L381 VanDerWaalsContact O-N 3.15Å
382A53.8Low65.4Low60 Ų60114.6 Ų114.650%0.49662%0.622SS.*THydrogen-bonded Turntrans-114.1-15.2176.500000114.4E380E380-A382 PolarHBondContact O-N 2.8Å
383D47.9Very low64Low162 Ų162113.6 Ų113.687%0.86662%0.616SS**SBendtrans-104.915.6-173.5-77.6-24.4000116.6
384V49.4Very low62.8Low135 Ų135113.8 Ų113.882%0.81863%0.627SS**SBendtrans-118.3-2.1172.9-168.70000114.3
385K41.2Very low61.4Low202 Ų202118.8 Ų118.888%0.87865%0.653SS**SBendtrans-140.759.2171-68.5-170.3-179.1179.20113.5
386A38.7Very low60.2Low80 Ų80120 Ų12066%0.66166%0.659SS**  trans-154.263.3153.800000110.7Q388A386-Q388 PolarHBondContact O-N 3.2Å
387S40Very low59.3Low115 Ų115119.6 Ų119.680%0.80466%0.657SS**  trans-57.790.7143.252.50000108
388Q37.5Very low58.2Low173 Ų173122 Ų12281%0.80868%0.677SS**SBendtrans153107.2149.5-84.6172-7.500112.2A386A386-Q388 PolarHBondContact O-N 3.2Å
389E46Very low57Low191 Ų191121.4 Ų121.489%0.89369%0.694SS**  trans38.685.2140.2-68.1179.314900119.4
390K44Very low56Low200 Ų200124.9 Ų124.987%0.8772%0.716SS**  -169.2113.3128.3-114.3170.9-179173.20108.8S392K390-S392 VanDerWaalsContact C-N 3.34Å; K390-S392 PolarHBondContact O-N 3.33Å
391V51.4Low55.5Low140 Ų140123.2 Ų123.285%0.84871%0.706SS**  trans-62.294.4173.8-178.60000108.2
392S57Low56Low102 Ų102123.8 Ų123.871%0.71370%0.701SS**  trans-81.8126.2169.664.90000108.5K390 A394K390-S392 VanDerWaalsContact C-N 3.34Å; K390-S392 PolarHBondContact O-N 3.33Å; S392-A394 PolarHBondContact O-N 3.47Å
393C64.3Low57.2Low13 Ų13128.8 Ų128.89%0.08871%0.714CS.*  trans-66.3122.7179.7-172.50000109.9L395 E396 C410C393-L395 PolarHBondContact O-N 2.89Å; C393-L395 PolarHBondContact SG-O 3.49Å; C393-E396 HydrophobicContact CB-CG 4.24Å; C393-E396 WeakPolarHBondContact O-CG 3.37Å; C393-C410 VanDerWaalsContact CA-SG 3.53Å; C393-C410 HydrophobicContact CB-CB 3.92Å; C393-C410 WeakPolarHBondContact CB-SG 3.38Å; C393-C410 PolarHBondContact SG-SG 3.02Å
394A70.2Confident58.6Low97 Ų97123.2 Ų123.280%0.80269%0.687SS**SBendtrans-60.9-26.317900000113.2S392S392-A394 PolarHBondContact O-N 3.47Å
395L66.7Low59.8Low123 Ų123117.8 Ų117.864%0.64466%0.657SS**SBendtrans-118.890.4173.6-69.2170.7000109.6C393C393-L395 PolarHBondContact O-N 2.89Å; C393-L395 PolarHBondContact SG-O 3.49Å
396E69.4Low61.3Low126 Ų126112.7 Ų112.759%0.58964%0.644SS**PPolyproline II helixtrans-78.9131.3173.2-65.8-155134.200111.1C393 P398 K413C393-E396 HydrophobicContact CB-CG 4.24Å; C393-E396 WeakPolarHBondContact O-CG 3.37Å; E396-P398 WeakPolarHBondContact O-CD 3.37Å; E396-K413 IonicContact OE1-NZ 3.35Å; E396-K413 PolarHBondContact OE1-NZ 3.04Å
397C74.8Confident63.1Low33 Ų33113.8 Ų113.822%0.22365%0.647CS.*PPolyproline II helixtrans-68.9118.6172.3174.20000108.3G399 K401 C404 T408C397-G399 PolarHBondContact O-N 3.07Å; C397-K401 PolarHBondContact SG-O 3.44Å; C397-C404 HydrophobicContact CB-CB 4.05Å; C397-C404 WeakPolarHBondContact CB-SG 3.19Å; C397-C404 WeakPolarHBondContact SG-CB 3.44Å; C397-C404 CovalentContact SG-SG 2.03Å; C397-C404 PolarHBondContact SG-SG 3.04Å; C397-T408 HydrophobicContact CB-CG2 3.63Å
398P69.6Low64.7Low103 Ų103109.4 Ų109.467%0.66962%0.615SS**PPolyproline II helixtrans-72.1123.1-169.924.5-31.7000112.2E396E396-P398 WeakPolarHBondContact O-CD 3.37Å
399G66Low66.4Low71 Ų71106 Ų10673%0.73261%0.61SS**THydrogen-bonded Turntrans74.2-155.8170.400000115.2C397 K401C397-G399 PolarHBondContact O-N 3.07Å; G399-K401 VanDerWaalsContact C-N 3.26Å; G399-K401 PolarHBondContact O-N 3.08Å
400T60.5Low67.7Low143 Ų14399.8 Ų99.888%0.87759%0.587SS**THydrogen-bonded Turntrans-80.74.5-174.848.90000114.6K402T400-K402 PolarHBondContact O-N 2.85Å
401K58.9Low68.9Low143 Ų14391.2 Ų91.262%0.62256%0.555SS**  trans-73.297.3178.8-70.9-172.2177.4-174.70110.1C397 G399 E403C397-K401 PolarHBondContact SG-O 3.44Å; G399-K401 VanDerWaalsContact C-N 3.26Å; G399-K401 PolarHBondContact O-N 3.08Å; K401-E403 PolarHBondContact O-N 3.03Å
402K69.9Low69.5Low187 Ų18788.5 Ų88.581%0.81354%0.54SS*.G310 helixtrans-71.1-8.2-179.5-68.4-177.9178.4179.30114.2T400 A405T400-K402 PolarHBondContact O-N 2.85Å; K402-A405 WeakPolarHBondContact O-CB 3.41Å; K402-A405 PolarHBondContact O-N 2.94Å
403E77.1Confident69.8Low165 Ų16591.2 Ų91.277%0.77154%0.539SS*.G310 helixtrans-70.8-30.4-175.2-68.6145.9-170.100113.6K401 P406K401-E403 PolarHBondContact O-N 3.03Å; E403-P406 WeakPolarHBondContact O-CD 3.15Å
404C79.1Confident69.3Low45 Ų4596.2 Ų96.230%0.30457%0.57SS.*G310 helixtrans-86.5-3.6176.544.50000114.7C397 P406 S407 T408C397-C404 HydrophobicContact CB-CB 4.05Å; C397-C404 WeakPolarHBondContact CB-SG 3.19Å; C397-C404 WeakPolarHBondContact SG-CB 3.44Å; C397-C404 CovalentContact SG-SG 2.03Å; C397-C404 PolarHBondContact SG-SG 3.04Å; C404-P406 VanDerWaalsContact C-CD 3.46Å; C404-S407 PolarHBondContact O-N 3.08Å; C404-T408 PolarHBondContact O-N 3.4Å
405A73.2Confident67.9Low22 Ų2299.4 Ų99.418%0.18257%0.573CS.*G310 helixtrans-57.6-37.2-179.300000115.7K402 S407 T408 G411 P412K402-A405 WeakPolarHBondContact O-CB 3.41Å; K402-A405 PolarHBondContact O-N 2.94Å; A405-S407 VanDerWaalsContact C-N 3.25Å; A405-S407 PolarHBondContact O-N 3.33Å; A405-T408 PolarHBondContact O-OG1 3.35Å; A405-G411 CarbonylContact O-C 3.11Å; A405-G411 WeakPolarHBondContact O-CA 3.41Å; A405-P412 HydrophobicContact CB-CB 4.06Å; A405-P412 HydrophobicContact CB-CG 4.45Å
406P73.3Confident66.4Low94 Ų9498.6 Ų98.661%0.6158%0.578SS**G310 helixtrans-75.1-14.3175.528.9-33.6000113.4E403 C404E403-P406 WeakPolarHBondContact O-CD 3.15Å; C404-P406 VanDerWaalsContact C-CD 3.46Å
407S76Confident64.7Low103 Ų10397.6 Ų97.672%0.7259%0.591SS**G310 helixtrans-98.10.5179.4-540000113.4C404 A405C404-S407 PolarHBondContact O-N 3.08Å; A405-S407 VanDerWaalsContact C-N 3.25Å; A405-S407 PolarHBondContact O-N 3.33Å
408T73.9Confident62.5Low23 Ų2399.8 Ų99.814%0.14162%0.619CS.*SBendtrans-76152173.759.30000110.1C397 C404 A405 C410 G411C397-T408 HydrophobicContact CB-CG2 3.63Å; C404-T408 PolarHBondContact O-N 3.4Å; A405-T408 PolarHBondContact O-OG1 3.35Å; T408-C410 PolarHBondContact O-N 2.03Å; T408-C410 VanDerWaalsContact O-N 3.08Å; T408-G411 PolarHBondContact O-N 3.22Å; T408-G411 WeakPolarHBondContact OG1-CA 3.33Å; T408-G411 PolarHBondContact OG1-N 3.34Å; T408-G411 PolarHBondContact OG1-O 3.34Å
409C72.8Confident60.5Low102 Ų10298.4 Ų98.469%0.68962%0.624SS**THydrogen-bonded Turntrans-56.1-27.5176.2-1690000112.8
410C74.1Confident58.6Low61 Ų61101 Ų10141%0.41263%0.631SS.*THydrogen-bonded Turntrans-100.90.9-180-63.60000114.5C393 T408C393-C410 VanDerWaalsContact CA-SG 3.53Å; C393-C410 HydrophobicContact CB-CB 3.92Å; C393-C410 WeakPolarHBondContact CB-SG 3.38Å; C393-C410 PolarHBondContact SG-SG 3.02Å; T408-C410 PolarHBondContact O-N 2.03Å; T408-C410 VanDerWaalsContact O-N 3.08Å
411G68.2Low57.4Low20 Ų2099.5 Ų99.521%0.20662%0.624CS.*  trans63.2-171.2-172.800000114.3A405 T408 K413A405-G411 CarbonylContact O-C 3.11Å; A405-G411 WeakPolarHBondContact O-CA 3.41Å; T408-G411 PolarHBondContact O-N 3.22Å; T408-G411 WeakPolarHBondContact OG1-CA 3.33Å; T408-G411 PolarHBondContact OG1-N 3.34Å; T408-G411 PolarHBondContact OG1-O 3.34Å; G411-K413 PolarHBondContact O-N 3.47Å
412P65.8Low56.1Low83 Ų8398.3 Ų98.354%0.53963%0.633SS.*SBendtrans-70.6122.6179.7-619.8000110.8A405 T414A405-P412 HydrophobicContact CB-CB 4.06Å; A405-P412 HydrophobicContact CB-CG 4.45Å; P412-T414 PolarHBondContact O-N 3.46Å; P412-T414 VanDerWaalsContact O-N 3.1Å
413K63.2Low54.3Low158 Ų15895.1 Ų95.169%0.68763%0.632SS**  trans-62.4110.9174-64.5-178.8-178.4173.40109.4E396 G411 N415E396-K413 IonicContact OE1-NZ 3.35Å; E396-K413 PolarHBondContact OE1-NZ 3.04Å; G411-K413 PolarHBondContact O-N 3.47Å; K413-N415 PolarHBondContact O-N 3.37Å
414T53.3Low51.9Low119 Ų11990.5 Ų90.573%0.7363%0.628SS**  trans-77.9114.1168.749.50000108.6P412 S416P412-T414 PolarHBondContact O-N 3.46Å; P412-T414 VanDerWaalsContact O-N 3.1Å; T414-S416 PolarHBondContact O-N 3.11Å
415N40.5Very low49.5Very low164 Ų16495.7 Ų95.788%0.87766%0.658SS**  trans-72.173.1171.5-79.6-8.1000109.6K413 A417K413-N415 PolarHBondContact O-N 3.37Å; N415-A417 PolarHBondContact O-N 3.04Å
416S36Very low47.5Very low106 Ų10699.6 Ų99.674%0.74168%0.684SS**  trans-90.291.3166.6-65.90000108.4T414 G418T414-S416 PolarHBondContact O-N 3.11Å; S416-G418 PolarHBondContact O-N 3.1Å
417A32.9Very low45.7Very low104 Ų104101 Ų10186%0.8669%0.693SS**  trans-62.1125.1160.100000108.9N415N415-A417 PolarHBondContact O-N 3.04Å
418G29Very low43.7Very low79 Ų79104.2 Ų104.281%0.81470%0.701SS**SBendtrans91.3118.4162.100000115.6S416S416-G418 PolarHBondContact O-N 3.1Å
419G26.8Very low41.5Very low75 Ų75109.2 Ų109.277%0.77373%0.727SS**  trans114.191.2152.600000115.2
420S26.6Very low39.6Very low125 Ų125111.3 Ų111.387%0.87474%0.736SS**  trans-46.8135.8141.6-43.50000108.2
421P34.1Very low37.4Very low112 Ų112112.1 Ų112.173%0.72774%0.743SS**  -140.3157.67334-16.6000113.8P423P421-P423 WeakPolarHBondContact O-CD 3.34Å
422S33.5Very low36Very low118 Ų118121.5 Ų121.583%0.82580%0.796SS**  trans-43.7137.9161.8-37.80000111
423P31.2Very low34.5Very low120 Ų120123.4 Ų123.478%0.77981%0.809SS**  -141.5140.5126.832.4-16.3000113.4P421P421-P423 WeakPolarHBondContact O-CD 3.34Å
424G27.3Very low33Very low67 Ų67121.6 Ų121.669%0.69182%0.815SS**  68.888.7129.400000116.4S426G424-S426 PolarHBondContact O-N 3.44Å; G424-S426 VanDerWaalsContact O-N 3.11Å
425V28.9Very low31.9Very low155 Ų155121.7 Ų121.794%0.93982%0.82SS**  trans-55.5111.3148.3178.80000107.4
426S29.6Very low31.4Very low104 Ų104119.2 Ų119.273%0.72782%0.817SS**  trans-145.3138.3163.5-760000109.3G424G424-S426 PolarHBondContact O-N 3.44Å; G424-S426 VanDerWaalsContact O-N 3.11Å
427P37Very low31.1Very low123 Ų123120.1 Ų120.180%0.79982%0.822SS**  trans-91.5134.2-152.734.6-31.7000111.8N429P427-N429 PolarHBondContact O-N 3.47Å
428L32.5Very low31Very low170 Ų170121.1 Ų121.189%0.8982%0.819SS**  trans-98.989.7171.1-101.3152000110.2
429N28.3Very low31.1Very low128 Ų128124.1 Ų124.168%0.68482%0.819SS**  trans-0.1112.4139.4-142.111.9000115.8P427 S431P427-N429 PolarHBondContact O-N 3.47Å; N429-S431 PolarHBondContact ND2-OG 2.84Å; N429-S431 PolarHBondContact O-N 3.36Å
430V32.4Very low31.4Very low146 Ų146127.9 Ų127.989%0.88582%0.823SS**  trans-86.2102.7160.3177.40000106.4
431S29Very low31.8Very low79 Ų79128.2 Ų128.255%0.55282%0.819SS**  trans-102.6127.2171-48.60000108.8N429N429-S431 PolarHBondContact ND2-OG 2.84Å; N429-S431 PolarHBondContact O-N 3.36Å
432T38.2Very low31.6Very low216 Ų216129.6 Ų129.6100%1.32583%0.827SS**  trans59.70162.756.90000118.9

Retrieved 432 of 432 residues in 163 ms (Link to these results)

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