A0A087YN61_POEFO Loading...

Hydroxysteroid (17-beta) dehydrogenase 3

AlphaFold DB , UniProt , Accession A0A087YN61, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 324 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
1M67.1Low92.7Very high166 Ų166108.5 Ų108.582%0.81856%0.555SS**  0123.60-101.2-168.4-78.800107.3E5 L6M1-E5 WeakPolarHBondContact CA-OE2 3.45Å; M1-E5 HydrophobicContact CB-CB 4.41Å; M1-E5 HydrophobicContact CG-CB 4.03Å; M1-E5 WeakPolarHBondContact CG-OE2 3.33Å; M1-E5 HydrophobicContact SD-CB 4.39Å; M1-L6 HydrophobicContact CE-CD1 4.31Å; M1-L6 HydrophobicContact SD-CB 4.46Å; M1-L6 HydrophobicContact SD-CD1 4.37Å
2D92.4Very high93Very high108 Ų108102.4 Ų102.458%0.57854%0.539SS*.  trans-63.6151.9166.8-170.36.4000109L4 E5 L6D2-L4 PolarHBondContact O-N 3.08Å; D2-L4 VanDerWaalsContact O-N 3.13Å; D2-E5 HydrophobicContact CB-CG 4.28Å; D2-E5 PolarHBondContact N-OE2 3.02Å; D2-E5 WeakPolarHBondContact O-CB 3.26Å; D2-E5 PolarHBondContact O-N 2.83Å; D2-L6 PolarHBondContact O-N 3.24Å; D2-L6 VanDerWaalsContact O-N 3.1Å
3L92.9Very high93.2Very high124 Ų12498.5 Ų98.565%0.64953%0.53SS*.Hα-helixtrans-53.2-36.6-179.6177.363.3000111.1L6 I7L3-L6 PolarHBondContact O-N 3.25Å; L3-I7 HydrophobicContact CD1-CD1 4.37Å; L3-I7 HydrophobicContact CG-CD1 4.07Å; L3-I7 VanDerWaalsContact O-CG1 3.28Å; L3-I7 WeakPolarHBondContact O-CG1 3.46Å; L3-I7 PolarHBondContact O-N 3.33Å
4L94.6Very high93.4Very high97 Ų9795.6 Ų95.651%0.50853%0.527SS..Hα-helixtrans-64.2-43.1177-170.366.9000112.6D2 L6 I7 F8D2-L4 PolarHBondContact O-N 3.08Å; D2-L4 VanDerWaalsContact O-N 3.13Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-L6 PolarHBondContact O-N 3.16Å; L4-I7 PolarHBondContact O-N 3.14Å; L4-F8 HydrophobicContact CD1-CD2 4.12Å; L4-F8 HydrophobicContact CD1-CE2 3.54Å; L4-F8 HydrophobicContact CD1-CZ 4.31Å; L4-F8 HydrophobicContact CD2-CE2 4.16Å; L4-F8 HydrophobicContact CG-CD2 3.9Å; L4-F8 HydrophobicContact CG-CE2 3.61Å; L4-F8 WeakPolarHBondContact O-CD2 3.45Å; L4-F8 PolarHBondContact O-N 2.65Å
5E94.9Very high93.4Very high109 Ų10993.9 Ų93.951%0.50952%0.519SS..Hα-helixtrans-63.7-41176.8-65.2178.3151.500111.2M1 D2 F8 T9M1-E5 WeakPolarHBondContact CA-OE2 3.45Å; M1-E5 HydrophobicContact CB-CB 4.41Å; M1-E5 HydrophobicContact CG-CB 4.03Å; M1-E5 WeakPolarHBondContact CG-OE2 3.33Å; M1-E5 HydrophobicContact SD-CB 4.39Å; D2-E5 HydrophobicContact CB-CG 4.28Å; D2-E5 PolarHBondContact N-OE2 3.02Å; D2-E5 WeakPolarHBondContact O-CB 3.26Å; D2-E5 PolarHBondContact O-N 2.83Å; E5-F8 PolarHBondContact O-N 3.32Å; E5-T9 WeakPolarHBondContact O-CB 3.48Å; E5-T9 PolarHBondContact O-N 3.27Å; E5-T9 PolarHBondContact O-OG1 3.31Å
6L95.4Very high93.6Very high74 Ų7494.6 Ų94.639%0.38753%0.527SS..Hα-helixtrans-63.3-43.7177-177.163000111.1M1 D2 L3 L4 T9 L10M1-L6 HydrophobicContact CE-CD1 4.31Å; M1-L6 HydrophobicContact SD-CB 4.46Å; M1-L6 HydrophobicContact SD-CD1 4.37Å; D2-L6 PolarHBondContact O-N 3.24Å; D2-L6 VanDerWaalsContact O-N 3.1Å; L3-L6 PolarHBondContact O-N 3.25Å; L4-L6 VanDerWaalsContact C-N 3.33Å; L4-L6 PolarHBondContact O-N 3.16Å; L6-T9 PolarHBondContact O-N 2.84Å; L6-L10 HydrophobicContact CD1-CD1 4.28Å; L6-L10 HydrophobicContact CD1-CG 4.32Å; L6-L10 HydrophobicContact CG-CD1 4.1Å; L6-L10 WeakPolarHBondContact O-CB 3.21Å; L6-L10 VanDerWaalsContact O-CG 3.29Å; L6-L10 WeakPolarHBondContact O-CG 3.39Å; L6-L10 PolarHBondContact O-N 3.33Å
7I96.4Very high93.7Very high91 Ų9195.5 Ų95.547%0.46754%0.535SS..Hα-helixtrans-60.3-49.6177-71166000111.1L3 L4 T9 L10 L11L3-I7 HydrophobicContact CD1-CD1 4.37Å; L3-I7 HydrophobicContact CG-CD1 4.07Å; L3-I7 VanDerWaalsContact O-CG1 3.28Å; L3-I7 WeakPolarHBondContact O-CG1 3.46Å; L3-I7 PolarHBondContact O-N 3.33Å; L4-I7 PolarHBondContact O-N 3.14Å; I7-T9 VanDerWaalsContact C-N 3.32Å; I7-T9 PolarHBondContact O-N 3.07Å; I7-L10 PolarHBondContact O-N 3.06Å; I7-L11 WeakPolarHBondContact O-CB 3.45Å; I7-L11 PolarHBondContact O-N 2.85Å
8F96.4Very high93.6Very high130 Ų13097.4 Ų97.457%0.5753%0.534SS*.Hα-helixtrans-65.3-36.3179.7-77.4-60.2000112.6L4 E5 L11 G12L4-F8 HydrophobicContact CD1-CD2 4.12Å; L4-F8 HydrophobicContact CD1-CE2 3.54Å; L4-F8 HydrophobicContact CD1-CZ 4.31Å; L4-F8 HydrophobicContact CD2-CE2 4.16Å; L4-F8 HydrophobicContact CG-CD2 3.9Å; L4-F8 HydrophobicContact CG-CE2 3.61Å; L4-F8 WeakPolarHBondContact O-CD2 3.45Å; L4-F8 PolarHBondContact O-N 2.65Å; E5-F8 PolarHBondContact O-N 3.32Å; F8-L11 PolarHBondContact O-N 3.37Å; F8-G12 PolarHBondContact O-N 3.25Å
9T96.3Very high93.4Very high81 Ų8199.7 Ų99.750%0.49754%0.535SS..Hα-helixtrans-65.2-46176.4-57.50000111.2E5 L6 I7 G12 A13E5-T9 WeakPolarHBondContact O-CB 3.48Å; E5-T9 PolarHBondContact O-N 3.27Å; E5-T9 PolarHBondContact O-OG1 3.31Å; L6-T9 PolarHBondContact O-N 2.84Å; I7-T9 VanDerWaalsContact C-N 3.32Å; I7-T9 PolarHBondContact O-N 3.07Å; T9-G12 PolarHBondContact O-N 3.19Å; T9-A13 WeakPolarHBondContact O-CB 3.22Å; T9-A13 PolarHBondContact O-N 3.07Å
10L96.4Very high93.3Very high113 Ų11396.6 Ų96.659%0.59253%0.527SS*.Hα-helixtrans-64.3-40.9176.9-70.9174000111.9L6 I7 A13 A14L6-L10 HydrophobicContact CD1-CD1 4.28Å; L6-L10 HydrophobicContact CD1-CG 4.32Å; L6-L10 HydrophobicContact CG-CD1 4.1Å; L6-L10 WeakPolarHBondContact O-CB 3.21Å; L6-L10 VanDerWaalsContact O-CG 3.29Å; L6-L10 WeakPolarHBondContact O-CG 3.39Å; L6-L10 PolarHBondContact O-N 3.33Å; I7-L10 PolarHBondContact O-N 3.06Å; L10-A13 PolarHBondContact O-N 3.09Å; L10-A14 WeakPolarHBondContact O-CB 3.42Å; L10-A14 PolarHBondContact O-N 3.43Å
11L96.4Very high93.1Very high101 Ų10193.6 Ų93.653%0.52952%0.519SS..Hα-helixtrans-62.8-47.1175.3-178.663.2000111.3I7 F8 A13 A14 V15I7-L11 WeakPolarHBondContact O-CB 3.45Å; I7-L11 PolarHBondContact O-N 2.85Å; F8-L11 PolarHBondContact O-N 3.37Å; L11-A13 PolarHBondContact O-N 3.09Å; L11-A14 PolarHBondContact O-N 3.09Å; L11-V15 WeakPolarHBondContact O-CG2 3.39Å; L11-V15 PolarHBondContact O-N 3.47Å
12G96.4Very high94.1Very high35 Ų3589.5 Ų89.536%0.36150%0.497SS..Hα-helixtrans-59.4-45.4176.400000112.1F8 T9 A14 V15 V16F8-G12 PolarHBondContact O-N 3.25Å; T9-G12 PolarHBondContact O-N 3.19Å; G12-A14 PolarHBondContact O-N 3.27Å; G12-V15 PolarHBondContact O-N 2.96Å; G12-V16 WeakPolarHBondContact O-CG2 3.38Å; G12-V16 PolarHBondContact O-N 2.89Å
13A96.2Very high93.9Very high52 Ų5289.8 Ų89.843%0.4350%0.497SS..Hα-helixtrans-60.6-44.6175.300000111.9T9 L10 L11 V15 V16 V17T9-A13 WeakPolarHBondContact O-CB 3.22Å; T9-A13 PolarHBondContact O-N 3.07Å; L10-A13 PolarHBondContact O-N 3.09Å; L11-A13 PolarHBondContact O-N 3.09Å; A13-V15 VanDerWaalsContact C-N 3.34Å; A13-V15 PolarHBondContact O-N 3.21Å; A13-V16 PolarHBondContact O-N 3.06Å; A13-V17 WeakPolarHBondContact O-CB 3.46Å; A13-V17 VanDerWaalsContact O-CG2 3.3Å; A13-V17 WeakPolarHBondContact O-CG2 3.41Å; A13-V17 PolarHBondContact O-N 3.26Å
14A95.1Very high93.7Very high58 Ų5886.7 Ų86.748%0.47949%0.49SS..Hα-helixtrans-61.1-41.417700000112.2L10 L11 G12 V17 Y18L10-A14 WeakPolarHBondContact O-CB 3.42Å; L10-A14 PolarHBondContact O-N 3.43Å; L11-A14 PolarHBondContact O-N 3.09Å; G12-A14 PolarHBondContact O-N 3.27Å; A14-V17 PolarHBondContact O-N 3.4Å; A14-Y18 VanDerWaalsContact O-CB 3.26Å; A14-Y18 WeakPolarHBondContact O-CB 3.37Å; A14-Y18 PolarHBondContact O-N 3.06Å
15V94.8Very high93.3Very high69 Ų6987.3 Ų87.342%0.41849%0.493SS..Hα-helixtrans-62.5-48.1175.3170.20000110.9L11 G12 A13 V17 Y18 Y19L11-V15 WeakPolarHBondContact O-CG2 3.39Å; L11-V15 PolarHBondContact O-N 3.47Å; G12-V15 PolarHBondContact O-N 2.96Å; A13-V15 VanDerWaalsContact C-N 3.34Å; A13-V15 PolarHBondContact O-N 3.21Å; V15-V17 PolarHBondContact O-N 3.48Å; V15-Y18 PolarHBondContact O-N 3.49Å; V15-Y19 HydrophobicContact CG1-CD2 3.69Å; V15-Y19 HydrophobicContact CG1-CE2 3.92Å; V15-Y19 WeakPolarHBondContact O-CD2 3.48Å; V15-Y19 PolarHBondContact O-N 3.25Å
16V95.9Very high93Very high105 Ų10583 Ų8364%0.63647%0.473SS*.Hα-helixtrans-61.4-44.8178.6171.40000111.2G12 A13 Y18 G20G12-V16 WeakPolarHBondContact O-CG2 3.38Å; G12-V16 PolarHBondContact O-N 2.89Å; A13-V16 PolarHBondContact O-N 3.06Å; V16-Y18 PolarHBondContact O-N 3.44Å; V16-G20 WeakPolarHBondContact O-CA 3.34Å; V16-G20 PolarHBondContact O-N 3.05Å
17V95.4Very high92.7Very high111 Ų11181.6 Ų81.667%0.67347%0.469SS*.Hα-helixtrans-62.1-44.5177.1170.40000110.9A13 A14 V15 G21A13-V17 WeakPolarHBondContact O-CB 3.46Å; A13-V17 VanDerWaalsContact O-CG2 3.3Å; A13-V17 WeakPolarHBondContact O-CG2 3.41Å; A13-V17 PolarHBondContact O-N 3.26Å; A14-V17 PolarHBondContact O-N 3.4Å; V15-V17 PolarHBondContact O-N 3.48Å; V17-G21 PolarHBondContact O-N 2.8Å
18Y91.6Very high92.4Very high130 Ų13081.5 Ų81.551%0.5146%0.463SS..Hα-helixtrans-63.6-52.2-179.6179.5-99.4000112.6A14 V15 V16 G21 K22A14-Y18 VanDerWaalsContact O-CB 3.26Å; A14-Y18 WeakPolarHBondContact O-CB 3.37Å; A14-Y18 PolarHBondContact O-N 3.06Å; V15-Y18 PolarHBondContact O-N 3.49Å; V16-Y18 PolarHBondContact O-N 3.44Å; Y18-G21 PolarHBondContact O-N 2.83Å; Y18-K22 HydrophobicContact CE1-CD 3.96Å; Y18-K22 VanDerWaalsContact CZ-CE 3.45Å; Y18-K22 PolarHBondContact O-N 3.14Å; Y18-K22 WeakPolarHBondContact OH-CE 3.28Å; Y18-K22 PolarHBondContact OH-NZ 3.44Å
19Y89.2Confident92Very high140 Ų14076.5 Ų76.555%0.54944%0.442SS..Hα-helixtrans-73.2-34.6-179.6-76.7-76.8000112.4V15 K22 L23V15-Y19 HydrophobicContact CG1-CD2 3.69Å; V15-Y19 HydrophobicContact CG1-CE2 3.92Å; V15-Y19 WeakPolarHBondContact O-CD2 3.48Å; V15-Y19 PolarHBondContact O-N 3.25Å; Y19-K22 PolarHBondContact O-N 2.99Å; Y19-L23 WeakPolarHBondContact O-CB 3.28Å; Y19-L23 PolarHBondContact O-N 3.02Å
20G91.8Very high91.8Very high37 Ų3777 Ų7738%0.38144%0.441SS..Hα-helixtrans-60.9-45.2172.200000111.7V16 L23 A24V16-G20 WeakPolarHBondContact O-CA 3.34Å; V16-G20 PolarHBondContact O-N 3.05Å; G20-L23 PolarHBondContact O-N 3.48Å; G20-A24 WeakPolarHBondContact O-CB 3.47Å; G20-A24 PolarHBondContact O-N 3.22Å
21G90.4Very high91.6Very high35 Ų3577.6 Ų77.636%0.36144%0.439SS..Hα-helixtrans-60.6-45.8173.600000112.6V17 Y18 L23 A24 L25V17-G21 PolarHBondContact O-N 2.8Å; Y18-G21 PolarHBondContact O-N 2.83Å; G21-L23 PolarHBondContact O-N 2.86Å; G21-A24 PolarHBondContact O-N 3.1Å; G21-L25 WeakPolarHBondContact O-CG 3.38Å; G21-L25 PolarHBondContact O-N 2.83Å
22K86.6Confident91.3Very high80 Ų8073.4 Ų73.435%0.34842%0.417SS..Hα-helixtrans-59.2-45.5174-82.6-170.2170.6-179.90112.4Y18 Y19 L25 F26 W278Y18-K22 HydrophobicContact CE1-CD 3.96Å; Y18-K22 VanDerWaalsContact CZ-CE 3.45Å; Y18-K22 PolarHBondContact O-N 3.14Å; Y18-K22 WeakPolarHBondContact OH-CE 3.28Å; Y18-K22 PolarHBondContact OH-NZ 3.44Å; Y19-K22 PolarHBondContact O-N 2.99Å; K22-L25 PolarHBondContact O-N 2.95Å; K22-F26 WeakPolarHBondContact O-CB 3.28Å; K22-F26 PolarHBondContact O-N 3.43Å; K22-W278 HydrophobicContact CB-CH2 4.34Å
23L88.6Confident91Very high113 Ų11380.3 Ų80.359%0.59244%0.438SS*.Hα-helixtrans-64.9-40180-171.865.7000111.6Y19 G20 G21 F26 S27Y19-L23 WeakPolarHBondContact O-CB 3.28Å; Y19-L23 PolarHBondContact O-N 3.02Å; G20-L23 PolarHBondContact O-N 3.48Å; G21-L23 PolarHBondContact O-N 2.86Å; L23-F26 PolarHBondContact O-N 3.45Å; L23-S27 PolarHBondContact O-N 2.82Å
24A88.5Confident90.8Very high60 Ų6087.1 Ų87.150%0.49645%0.452SS..Hα-helixtrans-64.8-38.9174.700000112.4G20 G21 F26 S27G20-A24 WeakPolarHBondContact O-CB 3.47Å; G20-A24 PolarHBondContact O-N 3.22Å; G21-A24 PolarHBondContact O-N 3.1Å; A24-F26 VanDerWaalsContact C-N 3.33Å; A24-S27 PolarHBondContact O-OG 3.49Å
25L86.9Confident90.6Very high110 Ų11088.2 Ų88.258%0.57645%0.445SS*.Hα-helixtrans-67.4-36173.3-69.3174.8000111.7G21 K22 R28G21-L25 WeakPolarHBondContact O-CG 3.38Å; G21-L25 PolarHBondContact O-N 2.83Å; K22-L25 PolarHBondContact O-N 2.95Å; L25-R28 VanDerWaalsContact O-CB 3.28Å; L25-R28 WeakPolarHBondContact O-CB 3.12Å; L25-R28 WeakPolarHBondContact O-CG 2.97Å; L25-R28 PolarHBondContact O-N 2.93Å
26F87.6Confident90.6Very high19 Ų1985.6 Ų85.68%0.08343%0.428CS..Hα-helixtrans-71.4-33.4177.7177.2-95.7000114.2K22 L23 A24 R28 M29 L30 V271 T274 L275 W278K22-F26 WeakPolarHBondContact O-CB 3.28Å; K22-F26 PolarHBondContact O-N 3.43Å; L23-F26 PolarHBondContact O-N 3.45Å; A24-F26 VanDerWaalsContact C-N 3.33Å; F26-R28 PolarHBondContact O-N 2.84Å; F26-M29 HydrophobicContact CD2-SD 4.12Å; F26-M29 HydrophobicContact CE2-SD 4.44Å; F26-M29 WeakPolarHBondContact O-CA 3.44Å; F26-M29 VanDerWaalsContact O-CB 3.27Å; F26-M29 WeakPolarHBondContact O-CB 3.48Å; F26-M29 PolarHBondContact O-N 3.25Å; F26-L30 HydrophobicContact CE1-CD2 4.2Å; F26-L30 HydrophobicContact CE1-CG 4.44Å; F26-V271 HydrophobicContact CE2-CG1 4.25Å; F26-V271 HydrophobicContact CZ-CG1 3.69Å; F26-T274 HydrophobicContact CD2-CG2 4.27Å; F26-T274 HydrophobicContact CE2-CG2 4.14Å; F26-L275 HydrophobicContact CE1-CD2 4Å; F26-L275 HydrophobicContact CE2-CD2 3.75Å; F26-L275 HydrophobicContact CE2-CG 3.97Å; F26-L275 HydrophobicContact CZ-CD1 4.13Å; F26-L275 HydrophobicContact CZ-CD2 3.35Å; F26-L275 HydrophobicContact CZ-CG 3.62Å; F26-W278 HydrophobicContact CB-CH2 3.34Å; F26-W278 HydrophobicContact CB-CZ2 4.12Å; F26-W278 HydrophobicContact CB-CZ3 3.85Å; F26-W278 HydrophobicContact CD2-CE3 4.4Å; F26-W278 AromaticContact CD2-CH2 3.76Å; F26-W278 HydrophobicContact CD2-CH2 3.76Å; F26-W278 HydrophobicContact CD2-CZ2 4.1Å; F26-W278 AromaticContact CD2-CZ3 3.85Å; F26-W278 HydrophobicContact CD2-CZ3 3.85Å; F26-W278 AromaticContact CG-CH2 3.76Å; F26-W278 HydrophobicContact CG-CH2 3.76Å; F26-W278 HydrophobicContact CG-CZ2 4.49Å; F26-W278 AromaticContact CG-CZ3 3.84Å; F26-W278 HydrophobicContact CG-CZ3 3.84Å
27S89.4Confident90.4Very high43 Ų4383.9 Ų83.930%0.30142%0.419SS..Hα-helixtrans-56.4-28.1176.573.30000111.8L23 A24 M29 L30L23-S27 PolarHBondContact O-N 2.82Å; A24-S27 PolarHBondContact O-OG 3.49Å; S27-M29 PolarHBondContact O-N 2.94Å; S27-L30 WeakPolarHBondContact O-CB 3.29Å; S27-L30 PolarHBondContact O-N 3.35Å
28R90.2Very high90.4Very high90 Ų9081.3 Ų81.334%0.3440%0.401SS..Hα-helixtrans-58.6-32.6172.7-54.9176.759.8175-2113.1L25 F26 L30 F31 Y35 F36L25-R28 VanDerWaalsContact O-CB 3.28Å; L25-R28 WeakPolarHBondContact O-CB 3.12Å; L25-R28 WeakPolarHBondContact O-CG 2.97Å; L25-R28 PolarHBondContact O-N 2.93Å; F26-R28 PolarHBondContact O-N 2.84Å; R28-L30 VanDerWaalsContact C-N 3.28Å; R28-L30 PolarHBondContact O-N 3.15Å; R28-F31 CarbonylContact O-C 3.5Å; R28-F31 PolarHBondContact O-N 3.02Å; R28-Y35 VanDerWaalsContact CA-CD2 3.45Å; R28-Y35 HydrophobicContact CB-CD1 4Å; R28-Y35 HydrophobicContact CB-CD2 3.86Å; R28-Y35 HydrophobicContact CB-CE1 4.42Å; R28-Y35 HydrophobicContact CB-CE2 4.29Å; R28-Y35 HydrophobicContact CB-CG 3.68Å; R28-Y35 HydrophobicContact CG-CD1 3.65Å; R28-Y35 HydrophobicContact CG-CD2 4.21Å; R28-Y35 HydrophobicContact CG-CE1 3.73Å; R28-Y35 HydrophobicContact CG-CE2 4.27Å; R28-Y35 HydrophobicContact CG-CG 3.88Å; R28-F36 HydrophobicContact CB-CE2 4.29Å; R28-F36 HydrophobicContact CB-CZ 4.02Å
29M88.9Confident90.5Very high25 Ų2578.4 Ų78.412%0.12340%0.4CS..Hα-helixtrans-73.4-20.1178.5-56.9-167.967.100113F26 S27 F31 Y260 V271 T274F26-M29 HydrophobicContact CD2-SD 4.12Å; F26-M29 HydrophobicContact CE2-SD 4.44Å; F26-M29 WeakPolarHBondContact O-CA 3.44Å; F26-M29 VanDerWaalsContact O-CB 3.27Å; F26-M29 WeakPolarHBondContact O-CB 3.48Å; F26-M29 PolarHBondContact O-N 3.25Å; S27-M29 PolarHBondContact O-N 2.94Å; M29-F31 VanDerWaalsContact C-N 3.31Å; M29-Y260 HydrophobicContact CB-CE1 4.18Å; M29-Y260 HydrophobicContact CE-CD1 4.4Å; M29-Y260 HydrophobicContact CE-CE1 4.35Å; M29-Y260 PolarHBondContact O-OH 2.99Å; M29-V271 HydrophobicContact CB-CG2 4.27Å; M29-V271 WeakPolarHBondContact O-CG2 3.11Å; M29-T274 HydrophobicContact CE-CG2 4.13Å; M29-T274 VanDerWaalsContact CE-OG1 3.25Å; M29-T274 WeakPolarHBondContact CE-OG1 3.25Å; M29-T274 HydrophobicContact SD-CG2 3.73Å
30L90.8Very high90.7Very high91 Ų9181.4 Ų81.448%0.47642%0.416SS..Hα-helixtrans-76-24.1176.4-57.7178.6000111.9F26 S27 R28 P32 V271F26-L30 HydrophobicContact CE1-CD2 4.2Å; F26-L30 HydrophobicContact CE1-CG 4.44Å; S27-L30 WeakPolarHBondContact O-CB 3.29Å; S27-L30 PolarHBondContact O-N 3.35Å; R28-L30 VanDerWaalsContact C-N 3.28Å; R28-L30 PolarHBondContact O-N 3.15Å; L30-P32 VanDerWaalsContact C-CD 3.44Å; L30-P32 WeakPolarHBondContact O-CD 3.28Å; L30-V271 HydrophobicContact CD2-CG1 3.91Å; L30-V271 HydrophobicContact CD2-CG2 4.44Å
31F92.1Very high90.9Very high125 Ų12583.8 Ų83.855%0.54842%0.423SS..  trans-126.460.4-176.9-54.8-77.6000112R28 M29 K33 W34 Y35R28-F31 CarbonylContact O-C 3.5Å; R28-F31 PolarHBondContact O-N 3.02Å; M29-F31 VanDerWaalsContact C-N 3.31Å; F31-K33 PolarHBondContact O-N 2.64Å; F31-K33 VanDerWaalsContact O-N 3.16Å; F31-W34 HydrophobicContact CB-CB 4.5Å; F31-W34 PolarHBondContact O-N 3.39Å; F31-Y35 HydrophobicContact CB-CD2 4.16Å; F31-Y35 HydrophobicContact CB-CE2 4.27Å; F31-Y35 PolarHBondContact O-N 3.45Å
32P90.7Very high91.3Very high13 Ų1382.9 Ų82.98%0.08441%0.409CS..Hα-helixtrans-60.9-31.8-172.322.8-33.3000113.6L30 W34 F36 Q259 Y260L30-P32 VanDerWaalsContact C-CD 3.44Å; L30-P32 WeakPolarHBondContact O-CD 3.28Å; P32-W34 PolarHBondContact O-N 2.65Å; P32-F36 HydrophobicContact CB-CD2 4.24Å; P32-F36 CarbonylContact O-C 3.56Å; P32-F36 VanDerWaalsContact O-CA 3.28Å; P32-F36 WeakPolarHBondContact O-CA 3.33Å; P32-F36 WeakPolarHBondContact O-CB 3.36Å; P32-F36 PolarHBondContact O-N 2.98Å; P32-Q259 HydrophobicContact CB-CB 4.32Å; P32-Y260 HydrophobicContact CB-CD1 4.15Å; P32-Y260 HydrophobicContact CB-CE1 3.59Å; P32-Y260 HydrophobicContact CG-CE1 4.1Å
33K89.8Confident91.8Very high181 Ų18179.3 Ų79.379%0.78739%0.393SS*.Hα-helixtrans-62.3-29178.2-66.4-173.6178.7179.60113.1F31F31-K33 PolarHBondContact O-N 2.64Å; F31-K33 VanDerWaalsContact O-N 3.16Å
34W92.1Very high92.3Very high194 Ų19476.5 Ų76.574%0.73538%0.381SS*.Hα-helixtrans-88.7-44.6-179.2-171.623.1000111.6F31 P32F31-W34 HydrophobicContact CB-CB 4.5Å; F31-W34 PolarHBondContact O-N 3.39Å; P32-W34 PolarHBondContact O-N 2.65Å
35Y92.3Very high92.7Very high82 Ų8276.2 Ų76.232%0.32238%0.375SS..Hα-helixtrans-86.2-25.4-175.8-72-78.5000114.6R28 F31 P37R28-Y35 VanDerWaalsContact CA-CD2 3.45Å; R28-Y35 HydrophobicContact CB-CD1 4Å; R28-Y35 HydrophobicContact CB-CD2 3.86Å; R28-Y35 HydrophobicContact CB-CE1 4.42Å; R28-Y35 HydrophobicContact CB-CE2 4.29Å; R28-Y35 HydrophobicContact CB-CG 3.68Å; R28-Y35 HydrophobicContact CG-CD1 3.65Å; R28-Y35 HydrophobicContact CG-CD2 4.21Å; R28-Y35 HydrophobicContact CG-CE1 3.73Å; R28-Y35 HydrophobicContact CG-CE2 4.27Å; R28-Y35 HydrophobicContact CG-CG 3.88Å; F31-Y35 HydrophobicContact CB-CD2 4.16Å; F31-Y35 HydrophobicContact CB-CE2 4.27Å; F31-Y35 PolarHBondContact O-N 3.45Å; Y35-P37 VanDerWaalsContact C-CD 3.45Å
36F93.2Very high93.2Very high14 Ų1472 Ų726%0.06135%0.353CS..SBendtrans-133.356.2-177.4-44.6-60.7000110.3R28 P32 L38 Y260 R262 A263R28-F36 HydrophobicContact CB-CE2 4.29Å; R28-F36 HydrophobicContact CB-CZ 4.02Å; P32-F36 HydrophobicContact CB-CD2 4.24Å; P32-F36 CarbonylContact O-C 3.56Å; P32-F36 VanDerWaalsContact O-CA 3.28Å; P32-F36 WeakPolarHBondContact O-CA 3.33Å; P32-F36 WeakPolarHBondContact O-CB 3.36Å; P32-F36 PolarHBondContact O-N 2.98Å; F36-L38 PolarHBondContact O-N 3.29Å; F36-Y260 HydrophobicContact CD2-CD1 4.01Å; F36-Y260 HydrophobicContact CD2-CE1 4.48Å; F36-Y260 HydrophobicContact CE2-CD1 4.15Å; F36-R262 HydrophobicContact CB-CB 4.43Å; F36-A263 HydrophobicContact CD1-CB 3.97Å; F36-A263 HydrophobicContact CD2-CB 3.93Å; F36-A263 VanDerWaalsContact CE1-CA 3.45Å; F36-A263 HydrophobicContact CE1-CB 3.76Å; F36-A263 HydrophobicContact CE2-CB 3.72Å; F36-A263 HydrophobicContact CG-CB 4.06Å; F36-A263 HydrophobicContact CZ-CB 3.62Å
37P92.9Very high93.7Very high69 Ų6971.2 Ų71.245%0.44835%0.351SS..  trans-61133.3-176.626.6-34.5000110.7Y35 R262Y35-P37 VanDerWaalsContact C-CD 3.45Å; P37-R262 PolarHBondContact O-NH1 3.4Å; P37-R262 VanDerWaalsContact O-NH1 3.08Å
38L94.4Very high94.2Very high56 Ų5674.1 Ų74.129%0.29336%0.359SS..  trans-120.5122.7174-63.5173.7000108.2F36 F42 L258 V261 R262F36-L38 PolarHBondContact O-N 3.29Å; L38-F42 HydrophobicContact CB-CB 4.44Å; L38-F42 HydrophobicContact CD2-CB 4.42Å; L38-F42 HydrophobicContact CD2-CD1 3.76Å; L38-F42 HydrophobicContact CD2-CD2 3.87Å; L38-F42 HydrophobicContact CD2-CE1 3.89Å; L38-F42 HydrophobicContact CD2-CE2 3.98Å; L38-F42 HydrophobicContact CD2-CG 3.74Å; L38-F42 HydrophobicContact CD2-CZ 3.98Å; L38-L258 WeakPolarHBondContact CD1-O 3.45Å; L38-V261 HydrophobicContact CD1-CG1 3.87Å; L38-V261 HydrophobicContact CD2-CG1 3.74Å; L38-V261 HydrophobicContact CG-CG1 4.45Å; L38-R262 HydrophobicContact CD2-CG 3.87Å
39S94.6Very high94.6Very high70 Ų7070.9 Ų70.949%0.4935%0.347SS..  trans-65.7156.5169.264.40000109.8T41 F42S39-T41 PolarHBondContact O-N 2.88Å; S39-F42 VanDerWaalsContact O-CB 3.26Å; S39-F42 WeakPolarHBondContact O-CB 3.49Å; S39-F42 PolarHBondContact O-N 2.85Å; S39-F42 VanDerWaalsContact O-N 3.07Å; S39-F42 PolarHBondContact OG-N 3.44Å; S39-F42 VanDerWaalsContact OG-N 3.14Å
40K92.8Very high95Very high203 Ų20369.7 Ų69.788%0.88334%0.341SS*.THydrogen-bonded Turntrans-58-31.3175.3-69-175.3178.4-178.60112.2
41T96.3Very high95.4Very high86 Ų8665.3 Ų65.353%0.52832%0.318SS..THydrogen-bonded Turntrans-93.27.6-179.355.10000113.5S39 F43 T44 S45S39-T41 PolarHBondContact O-N 2.88Å; T41-F43 PolarHBondContact O-N 3.07Å; T41-T44 WeakPolarHBondContact CA-OG1 3.33Å; T41-T44 PolarHBondContact O-N 3.22Å; T41-T44 PolarHBondContact O-OG1 3.41Å; T41-T44 VanDerWaalsContact O-OG1 3.07Å; T41-S45 WeakPolarHBondContact O-CB 3.38Å; T41-S45 PolarHBondContact O-N 3.18Å
42F97.9Very high95.8Very high17 Ų1759.4 Ų59.48%0.07529%0.292CS..Hα-helixtrans-53.5-52.3-174173.2-97.7000112.2L38 S39 S45 M46 V181 I224 V261 R262L38-F42 HydrophobicContact CB-CB 4.44Å; L38-F42 HydrophobicContact CD2-CB 4.42Å; L38-F42 HydrophobicContact CD2-CD1 3.76Å; L38-F42 HydrophobicContact CD2-CD2 3.87Å; L38-F42 HydrophobicContact CD2-CE1 3.89Å; L38-F42 HydrophobicContact CD2-CE2 3.98Å; L38-F42 HydrophobicContact CD2-CG 3.74Å; L38-F42 HydrophobicContact CD2-CZ 3.98Å; S39-F42 VanDerWaalsContact O-CB 3.26Å; S39-F42 WeakPolarHBondContact O-CB 3.49Å; S39-F42 PolarHBondContact O-N 2.85Å; S39-F42 VanDerWaalsContact O-N 3.07Å; S39-F42 PolarHBondContact OG-N 3.44Å; S39-F42 VanDerWaalsContact OG-N 3.14Å; F42-S45 PolarHBondContact O-N 3.15Å; F42-S45 PolarHBondContact O-OG 2.94Å; F42-M46 HydrophobicContact CD2-CE 3.95Å; F42-M46 HydrophobicContact CE1-CE 4.29Å; F42-M46 HydrophobicContact CE2-CE 3.35Å; F42-M46 HydrophobicContact CZ-CE 3.56Å; F42-M46 WeakPolarHBondContact O-CG 3.44Å; F42-V181 HydrophobicContact CE1-CG2 4.21Å; F42-V181 HydrophobicContact CZ-CG2 4.39Å; F42-I224 HydrophobicContact CE2-CD1 4.4Å; F42-I224 HydrophobicContact CZ-CD1 3.71Å; F42-V261 HydrophobicContact CD1-CG1 4.5Å; F42-V261 HydrophobicContact CE1-CG1 3.71Å; F42-V261 HydrophobicContact CZ-CG1 4.13Å; F42-R262 HydrophobicContact CE2-CG 4.43Å; F42-R262 HydrophobicContact CZ-CG 4.22Å
43F98.1Very high96.1Very high5 Ų558.8 Ų58.82%0.02229%0.288CS..Hα-helixtrans-68-43.4-178.2-65.2-79.1000112.3T41 S45 M46 L67 R70 M72 V126 L258 V261T41-F43 PolarHBondContact O-N 3.07Å; F43-S45 PolarHBondContact O-N 3.47Å; F43-M46 WeakPolarHBondContact O-CB 3.43Å; F43-M46 PolarHBondContact O-N 3.02Å; F43-L67 HydrophobicContact CD1-CD2 3.81Å; F43-L67 HydrophobicContact CE1-CD2 4.09Å; F43-L67 HydrophobicContact CG-CD2 4.13Å; F43-R70 HydrophobicContact CD2-CB 4.32Å; F43-R70 HydrophobicContact CD2-CG 4.43Å; F43-M72 HydrophobicContact CB-CG 4.01Å; F43-M72 HydrophobicContact CB-SD 3.82Å; F43-V126 HydrophobicContact CD1-CG2 3.93Å; F43-L258 HydrophobicContact CE1-CD2 3.97Å; F43-L258 HydrophobicContact CZ-CB 4.26Å; F43-L258 HydrophobicContact CZ-CD2 3.72Å; F43-L258 HydrophobicContact CZ-CG 4.46Å; F43-V261 HydrophobicContact CZ-CG1 4.29Å
44T98.1Very high96.5Very high54 Ų5450.7 Ų50.733%0.33126%0.257SS..Hα-helixtrans-67.8-20.7177.553.90000113.2T41 M46 G47 M72T41-T44 WeakPolarHBondContact CA-OG1 3.33Å; T41-T44 PolarHBondContact O-N 3.22Å; T41-T44 PolarHBondContact O-OG1 3.41Å; T41-T44 VanDerWaalsContact O-OG1 3.07Å; T44-M46 VanDerWaalsContact C-N 3.28Å; T44-M46 PolarHBondContact O-N 3.05Å; T44-G47 CarbonylContact C-O 3.58Å; T44-G47 WeakPolarHBondContact CA-O 3.47Å; T44-M72 HydrophobicContact CG2-CG 4.18Å
45S97.8Very high96.7Very high53 Ų5341.5 Ų41.537%0.37122%0.222SC..Hα-helixtrans-71.8-22.6172.778.60000113.1T41 F42 F43 K179T41-S45 WeakPolarHBondContact O-CB 3.38Å; T41-S45 PolarHBondContact O-N 3.18Å; F42-S45 PolarHBondContact O-N 3.15Å; F42-S45 PolarHBondContact O-OG 2.94Å; F43-S45 PolarHBondContact O-N 3.47Å; S45-K179 WeakPolarHBondContact O-CD 3.36Å; S45-K179 WeakPolarHBondContact O-CE 3.48Å; S45-K179 PolarHBondContact O-NZ 3.08Å
46M98.2Very high96.8Very high21 Ų2138.6 Ų38.610%0.10321%0.214CC..Hα-helixtrans-80.9-25.5179.3-57.6-62.7172.700112.5F42 F43 T44 G125 K179 V181F42-M46 HydrophobicContact CD2-CE 3.95Å; F42-M46 HydrophobicContact CE1-CE 4.29Å; F42-M46 HydrophobicContact CE2-CE 3.35Å; F42-M46 HydrophobicContact CZ-CE 3.56Å; F42-M46 WeakPolarHBondContact O-CG 3.44Å; F43-M46 WeakPolarHBondContact O-CB 3.43Å; F43-M46 PolarHBondContact O-N 3.02Å; T44-M46 VanDerWaalsContact C-N 3.28Å; T44-M46 PolarHBondContact O-N 3.05Å; M46-G125 VanDerWaalsContact C-CA 3.45Å; M46-G125 VanDerWaalsContact O-CA 3.28Å; M46-G125 WeakPolarHBondContact O-CA 3.33Å; M46-K179 HydrophobicContact SD-CB 3.93Å; M46-V181 HydrophobicContact CG-CG2 3.99Å
47G97.9Very high96.8Very high4 Ų440.6 Ų40.64%0.04122%0.223CC..  trans166.6-178.1179.600000111.1T44 M72T44-G47 CarbonylContact C-O 3.58Å; T44-G47 WeakPolarHBondContact CA-O 3.47Å; G47-M72 WeakPolarHBondContact O-CE 3.42Å
48E98.3Very high97Very high103 Ų10338 Ų3848%0.48121%0.209SC..SBendtrans-93.4-26.1-178.2-68.2-176.8-164.500113.7M72 N73 R98 N123E48-M72 WeakPolarHBondContact O-CE 3.16Å; E48-N73 WeakPolarHBondContact O-CB 3.47Å; E48-N73 PolarHBondContact O-N 3.31Å; E48-N73 PolarHBondContact O-ND2 2.89Å; E48-R98 IonicContact OE2-NH2 3.56Å; E48-N123 HydrophobicContact CB-CB 4.43Å; E48-N123 HydrophobicContact CG-CB 4.47Å; E48-N123 PolarHBondContact N-O 3.14Å
49W98.9Very high97.1Very high22 Ų2236.2 Ų36.28%0.08320%0.2CC..EExtended strand (participates in β ladder)trans-117.2142.7-175.7-68.185000112.4M72 N73 V75 R98 K100 L122 N123 I124 G125 V126W49-M72 VanDerWaalsContact N-CE 3.28Å; W49-N73 CarbonylContact C-O 3.59Å; W49-N73 WeakPolarHBondContact CA-O 3.36Å; W49-N73 HydrophobicContact CD2-CB 3.42Å; W49-N73 VanDerWaalsContact CD2-CB 3.42Å; W49-N73 HydrophobicContact CE3-CB 3.36Å; W49-N73 HydrophobicContact CG-CB 4.1Å; W49-N73 HydrophobicContact CH2-CB 3.77Å; W49-N73 HydrophobicContact CZ2-CB 3.8Å; W49-N73 HydrophobicContact CZ3-CB 3.55Å; W49-V75 HydrophobicContact CD2-CG2 4.45Å; W49-V75 HydrophobicContact CE3-CG2 3.66Å; W49-V75 HydrophobicContact CZ3-CG2 4.19Å; W49-R98 HydrophobicContact CH2-CB 3.72Å; W49-R98 HydrophobicContact CZ2-CB 4.26Å; W49-R98 HydrophobicContact CZ3-CB 4.46Å; W49-K100 HydrophobicContact CH2-CB 4.3Å; W49-K100 HydrophobicContact CZ3-CB 3.9Å; W49-L122 HydrophobicContact CD2-CD1 4.23Å; W49-L122 HydrophobicContact CD2-CD2 4.35Å; W49-L122 HydrophobicContact CE3-CD1 4.48Å; W49-L122 HydrophobicContact CG-CB 4.25Å; W49-L122 HydrophobicContact CG-CD1 4.36Å; W49-L122 HydrophobicContact CG-CD2 4.49Å; W49-L122 HydrophobicContact CZ2-CD2 4.35Å; W49-N123 PolarHBondContact N-O 3.44Å; W49-I124 HydrophobicContact CB-CG1 4.28Å; W49-I124 CarbonylContact O-C 3.55Å; W49-I124 WeakPolarHBondContact O-CA 3.43Å; W49-G125 PolarHBondContact O-N 3.17Å; W49-V126 PolarHBondContact O-N 3.3Å
50A98.9Very high97.3Very high0 Ų032.9 Ų32.90%018%0.176CC..EExtended strand (participates in β ladder)trans-112128.9165.300000110.1L67 M72 N73 V74 V75 V126A50-L67 HydrophobicContact CB-CB 4.25Å; A50-L67 HydrophobicContact CB-CD1 3.79Å; A50-M72 HydrophobicContact CB-CB 4.36Å; A50-M72 HydrophobicContact CB-SD 4.35Å; A50-N73 PolarHBondContact N-O 3.34Å; A50-V74 HydrophobicContact CB-CG1 4.32Å; A50-V74 CarbonylContact O-C 2.95Å; A50-V74 VanDerWaalsContact O-CA 3.32Å; A50-V74 WeakPolarHBondContact O-CA 3.37Å; A50-V75 PolarHBondContact O-N 2.77Å; A50-V126 CarbonylContact C-O 3.53Å; A50-V126 VanDerWaalsContact CA-O 3.25Å; A50-V126 WeakPolarHBondContact CA-O 3.36Å; A50-V126 HydrophobicContact CB-CB 3.82Å; A50-V126 HydrophobicContact CB-CG1 4.45Å
51V98.9Very high97.6Very high0 Ų026.2 Ų26.20%015%0.146CC..EExtended strand (participates in β ladder)trans-98.4126.6175.1178.30000109.2V75 M77 L119 I124 V126 L127 V128 M166 I170V51-V75 HydrophobicContact CB-CB 4.49Å; V51-V75 HydrophobicContact CG2-CB 4.05Å; V51-V75 HydrophobicContact CG2-CG2 4.11Å; V51-M77 HydrophobicContact CG1-CE 3.52Å; V51-M77 HydrophobicContact CG1-SD 3.95Å; V51-L119 HydrophobicContact CG2-CD1 4.35Å; V51-L119 HydrophobicContact CG2-CD2 4Å; V51-I124 HydrophobicContact CG2-CD1 3.74Å; V51-I124 HydrophobicContact CG2-CG1 3.93Å; V51-I124 HydrophobicContact CG2-CG2 3.82Å; V51-V126 PolarHBondContact N-O 3.21Å; V51-L127 HydrophobicContact CB-CD1 4.11Å; V51-L127 HydrophobicContact CG1-CD1 4.05Å; V51-L127 CarbonylContact O-C 3.32Å; V51-L127 WeakPolarHBondContact O-CA 3.48Å; V51-V128 PolarHBondContact O-N 3.11Å; V51-M166 HydrophobicContact CG1-CE 3.97Å; V51-I170 HydrophobicContact CB-CD1 4.06Å; V51-I170 HydrophobicContact CG1-CD1 4.2Å; V51-I170 HydrophobicContact CG2-CD1 4.03Å
52V98.9Very high97.7Very high0 Ų022.3 Ų22.30%012%0.122CC..EExtended strand (participates in β ladder)trans-126.5115.7-179.3-172.30000110.5A55 G60 A64 L67 V75 M77 V128V52-A55 HydrophobicContact CB-CB 4.14Å; V52-A55 HydrophobicContact CG1-CB 3.94Å; V52-G60 WeakPolarHBondContact CG1-O 3.37Å; V52-A64 HydrophobicContact CG2-CB 4.33Å; V52-L67 HydrophobicContact CG2-CD1 4.27Å; V52-V75 PolarHBondContact N-O 3.36Å; V52-M77 PolarHBondContact O-N 3.31Å; V52-V128 HydrophobicContact CB-CB 4.39Å; V52-V128 HydrophobicContact CG1-CB 4.07Å; V52-V128 HydrophobicContact CG1-CG1 4.3Å; V52-V128 HydrophobicContact CG2-CB 4.15Å; V52-V128 HydrophobicContact CG2-CG2 4.13Å
53T98.4Very high97.7Very high0 Ų021.5 Ų21.50%012%0.119CC..EExtended strand (participates in β ladder)trans-86.3144175.462.50000111.7M77 F106 V128 N129 N130 V131 M166T53-M77 HydrophobicContact CG2-SD 3.99Å; T53-F106 HydrophobicContact CG2-CE2 4.33Å; T53-F106 HydrophobicContact CG2-CZ 3.92Å; T53-V128 PolarHBondContact N-O 3.19Å; T53-V128 PolarHBondContact OG1-O 3.01Å; T53-N129 WeakPolarHBondContact OG1-CA 2.92Å; T53-N130 VanDerWaalsContact O-CB 3.29Å; T53-N130 WeakPolarHBondContact O-CB 3.45Å; T53-N130 PolarHBondContact O-ND2 2.83Å; T53-N130 PolarHBondContact OG1-N 3.13Å; T53-V131 PolarHBondContact O-N 2.85Å; T53-V131 PolarHBondContact OG1-N 2.82Å; T53-V131 VanDerWaalsContact OG1-N 3.15Å; T53-M166 HydrophobicContact CG2-CE 4.45Å; T53-M166 HydrophobicContact CG2-CG 4.16Å
54G96.7Very high97.8Very high12 Ų1221.3 Ų21.312%0.12412%0.118CC..THydrogen-bonded Turntrans65.337.9-17600000112.8S56 M77 N130G54-S56 VanDerWaalsContact C-N 3.33Å; G54-S56 PolarHBondContact O-N 3.29Å; G54-M77 WeakPolarHBondContact CA-O 3.27Å; G54-M77 PolarHBondContact N-O 2.95Å; G54-N130 PolarHBondContact O-ND2 2.94Å
55A97.1Very high97.8Very high0 Ų020.1 Ų20.10%011%0.108CC..THydrogen-bonded Turntrans-84.82-171.100000115V52 E57 R61 I76 M77V52-A55 HydrophobicContact CB-CB 4.14Å; V52-A55 HydrophobicContact CG1-CB 3.94Å; A55-E57 VanDerWaalsContact C-N 3.3Å; A55-E57 PolarHBondContact O-N 2.92Å; A55-R61 WeakPolarHBondContact O-CA 3.04Å; A55-R61 WeakPolarHBondContact O-CB 3.37Å; A55-I76 HydrophobicContact CB-CB 3.66Å; A55-I76 HydrophobicContact CB-CG2 3.73Å; A55-M77 PolarHBondContact N-O 2.82Å
56S94.3Very high97.8Very high22 Ų2217.9 Ų17.915%0.1549%0.092CC..THydrogen-bonded Turntrans-67.9-26.9-178.949.60000113.7G54 S78G54-S56 VanDerWaalsContact C-N 3.33Å; G54-S56 PolarHBondContact O-N 3.29Å; S56-S78 WeakPolarHBondContact CB-OG 3.37Å; S56-S78 PolarHBondContact OG-OG 3.27Å
57E94.1Very high97.8Very high55 Ų5516.9 Ų16.926%0.2579%0.087SC..SBendtrans-160.5176.2-179.564-178.9158.400112.7A55 R61 R236A55-E57 VanDerWaalsContact C-N 3.3Å; A55-E57 PolarHBondContact O-N 2.92Å; E57-R61 PolarHBondContact O-N 3.5Å; E57-R236 VanDerWaalsContact CD-NH2 3.32Å; E57-R236 WeakPolarHBondContact OE1-CB 3.18Å; E57-R236 WeakPolarHBondContact OE1-CD 3.36Å; E57-R236 IonicContact OE1-CZ 2.84Å; E57-R236 IonicContact OE1-NE 2.71Å; E57-R236 PolarHBondContact OE1-NE 3.12Å; E57-R236 IonicContact OE1-NH1 2.76Å; E57-R236 IonicContact OE1-NH2 2.68Å; E57-R236 VanDerWaalsContact OE2-CB 3.29Å; E57-R236 WeakPolarHBondContact OE2-CB 3.42Å; E57-R236 IonicContact OE2-CZ 2.73Å; E57-R236 IonicContact OE2-NE 3.65Å; E57-R236 PolarHBondContact OE2-NE 3.22Å; E57-R236 IonicContact OE2-NH2 2.85Å; E57-R236 PolarHBondContact OE2-NH2 3.29Å
58G96Very high97.9Very high15 Ų1516.7 Ų16.716%0.1559%0.086CC..Hα-helixtrans60.2-138.1170.700000113.6G60 R61 A62G58-G60 PolarHBondContact O-N 3.48Å; G58-R61 PolarHBondContact O-N 3.03Å; G58-A62 WeakPolarHBondContact O-CB 3.48Å; G58-A62 PolarHBondContact O-N 3.24Å
59I97.8Very high97.9Very high19 Ų1916.6 Ų16.610%0.0979%0.088CC..Hα-helixtrans-62.4-41.3-176-65.6172.3000111.4A62 Y63 N130 P230 V233 T235 F253 V254I59-A62 PolarHBondContact O-N 2.82Å; I59-Y63 HydrophobicContact CG2-CD2 3.59Å; I59-Y63 HydrophobicContact CG2-CE2 3.56Å; I59-Y63 WeakPolarHBondContact O-CD2 3.49Å; I59-Y63 PolarHBondContact O-N 2.88Å; I59-N130 WeakPolarHBondContact CB-OD1 3.36Å; I59-N130 WeakPolarHBondContact CG2-OD1 3.46Å; I59-P230 HydrophobicContact CD1-CB 4.36Å; I59-P230 HydrophobicContact CD1-CG 4.08Å; I59-V233 HydrophobicContact CD1-CB 4.1Å; I59-V233 HydrophobicContact CD1-CG1 4.17Å; I59-V233 HydrophobicContact CD1-CG2 4.02Å; I59-V233 HydrophobicContact CG1-CB 4.35Å; I59-V233 HydrophobicContact CG1-CG1 3.87Å; I59-T235 HydrophobicContact CG1-CG2 4.25Å; I59-F253 HydrophobicContact CD1-CD1 4.48Å; I59-F253 HydrophobicContact CD1-CE1 4.44Å; I59-F253 HydrophobicContact CG1-CD1 4.44Å; I59-F253 HydrophobicContact CG2-CE1 4.49Å; I59-V254 HydrophobicContact CG2-CG2 4.09Å
60G98.1Very high97.8Very high0 Ų019 Ų190%010%0.098CC..Hα-helixtrans-62.4-48.6178.600000112.1V52 G58 A62 Y63 A64 N130V52-G60 WeakPolarHBondContact CG1-O 3.37Å; G58-G60 PolarHBondContact O-N 3.48Å; G60-A62 VanDerWaalsContact C-N 3.3Å; G60-A62 PolarHBondContact O-N 2.92Å; G60-Y63 PolarHBondContact O-N 2.91Å; G60-A64 PolarHBondContact O-N 3.47Å; G60-N130 VanDerWaalsContact CA-ND2 3.27Å; G60-N130 WeakPolarHBondContact CA-ND2 3.27Å; G60-N130 PolarHBondContact N-ND2 3.03Å; G60-N130 PolarHBondContact N-OD1 2.89Å
61R98.3Very high97.7Very high62 Ų6220.1 Ų20.123%0.23411%0.109CC..Hα-helixtrans-57.1-46.8174.2-176.1178.3173.6-75.2-1.3110.7A55 E57 G58 Y63 A64 F65 V87 E90A55-R61 WeakPolarHBondContact O-CA 3.04Å; A55-R61 WeakPolarHBondContact O-CB 3.37Å; E57-R61 PolarHBondContact O-N 3.5Å; G58-R61 PolarHBondContact O-N 3.03Å; R61-Y63 VanDerWaalsContact C-N 3.33Å; R61-Y63 PolarHBondContact O-N 3.06Å; R61-A64 WeakPolarHBondContact O-CB 3.35Å; R61-A64 PolarHBondContact O-N 3.38Å; R61-A64 VanDerWaalsContact O-N 3.14Å; R61-F65 HydrophobicContact CG-CD2 3.87Å; R61-F65 HydrophobicContact CG-CE2 3.81Å; R61-F65 VanDerWaalsContact NH2-CE2 3.34Å; R61-F65 VanDerWaalsContact NH2-CZ 3.34Å; R61-F65 WeakPolarHBondContact O-CD2 3.45Å; R61-F65 PolarHBondContact O-N 2.96Å; R61-V87 HydrophobicContact CG-CG1 4.2Å; R61-V87 HydrophobicContact CG-CG2 4.32Å; R61-E90 IonicContact CZ-OE2 3.75Å; R61-E90 IonicContact NE-OE2 2.66Å; R61-E90 IonicContact NH2-OE2 3.57Å; R61-E90 PolarHBondContact NH2-OE2 2.91Å
62A98.6Very high97.7Very high4 Ų420.2 Ų20.23%0.03311%0.109CC..Hα-helixtrans-60.7-38.1178.600000113.2G58 I59 G60 A66 P250 E251 V254G58-A62 WeakPolarHBondContact O-CB 3.48Å; G58-A62 PolarHBondContact O-N 3.24Å; I59-A62 PolarHBondContact O-N 2.82Å; G60-A62 VanDerWaalsContact C-N 3.3Å; G60-A62 PolarHBondContact O-N 2.92Å; A62-A66 WeakPolarHBondContact O-CB 3.46Å; A62-A66 PolarHBondContact O-N 2.74Å; A62-P250 HydrophobicContact CB-CB 3.9Å; A62-E251 HydrophobicContact CB-CG 4.49Å; A62-V254 HydrophobicContact CB-CB 4.05Å; A62-V254 HydrophobicContact CB-CG2 3.65Å
63Y98.8Very high97.7Very high1 Ų121.1 Ų21.10%0.00411%0.114CC..Hα-helixtrans-63.9-43.4172.1-90.8-69.2000112.5I59 G60 R61 A66 L67 V128 I183 V185 V254 S257 L258I59-Y63 HydrophobicContact CG2-CD2 3.59Å; I59-Y63 HydrophobicContact CG2-CE2 3.56Å; I59-Y63 WeakPolarHBondContact O-CD2 3.49Å; I59-Y63 PolarHBondContact O-N 2.88Å; G60-Y63 PolarHBondContact O-N 2.91Å; R61-Y63 VanDerWaalsContact C-N 3.33Å; R61-Y63 PolarHBondContact O-N 3.06Å; Y63-A66 PolarHBondContact O-N 2.96Å; Y63-L67 WeakPolarHBondContact O-CB 3.27Å; Y63-L67 VanDerWaalsContact O-CG 3.28Å; Y63-L67 WeakPolarHBondContact O-CG 3.47Å; Y63-L67 PolarHBondContact O-N 2.81Å; Y63-V128 HydrophobicContact CD1-CG1 4.38Å; Y63-V128 HydrophobicContact CD1-CG2 4.19Å; Y63-V128 HydrophobicContact CD2-CG1 3.78Å; Y63-V128 HydrophobicContact CE2-CG1 4.22Å; Y63-V128 HydrophobicContact CG-CG1 3.88Å; Y63-V128 HydrophobicContact CG-CG2 4.3Å; Y63-I183 HydrophobicContact CE1-CD1 3.9Å; Y63-I183 HydrophobicContact CE1-CG2 4.48Å; Y63-V185 HydrophobicContact CE2-CG2 4.32Å; Y63-V254 HydrophobicContact CD1-CG1 3.59Å; Y63-V254 HydrophobicContact CD1-CG2 4.43Å; Y63-V254 HydrophobicContact CD2-CG1 4.3Å; Y63-V254 HydrophobicContact CD2-CG2 3.64Å; Y63-V254 HydrophobicContact CE1-CG1 3.84Å; Y63-V254 HydrophobicContact CE1-CG2 4.49Å; Y63-V254 HydrophobicContact CE2-CG2 3.73Å; Y63-V254 HydrophobicContact CG-CG1 3.83Å; Y63-V254 HydrophobicContact CG-CG2 4Å; Y63-S257 PolarHBondContact OH-OG 2.99Å; Y63-L258 HydrophobicContact CD1-CD1 4.48Å; Y63-L258 HydrophobicContact CD1-CD2 4.1Å; Y63-L258 HydrophobicContact CD1-CG 4.35Å; Y63-L258 HydrophobicContact CE1-CD2 3.63Å; Y63-L258 HydrophobicContact CE1-CG 3.91Å
64A98.8Very high97.8Very high0 Ų021.1 Ų21.10%011%0.114CC..Hα-helixtrans-59.1-49.9178.400000111.4V52 G60 R61 A68 I76 I91V52-A64 HydrophobicContact CG2-CB 4.33Å; G60-A64 PolarHBondContact O-N 3.47Å; R61-A64 WeakPolarHBondContact O-CB 3.35Å; R61-A64 PolarHBondContact O-N 3.38Å; R61-A64 VanDerWaalsContact O-N 3.14Å; A64-A68 WeakPolarHBondContact O-CB 3.43Å; A64-A68 PolarHBondContact O-N 2.85Å; A64-I76 HydrophobicContact CB-CG2 3.75Å; A64-I91 HydrophobicContact CB-CD1 3.76Å
65F98.7Very high97.9Very high30 Ų3020.5 Ų20.513%0.13211%0.108CC..Hα-helixtrans-60.5-49.8174.6-85.2-90.9000112.1R61 L67 A68 D69 V87 E90 I91R61-F65 HydrophobicContact CG-CD2 3.87Å; R61-F65 HydrophobicContact CG-CE2 3.81Å; R61-F65 VanDerWaalsContact NH2-CE2 3.34Å; R61-F65 VanDerWaalsContact NH2-CZ 3.34Å; R61-F65 WeakPolarHBondContact O-CD2 3.45Å; R61-F65 PolarHBondContact O-N 2.96Å; F65-L67 VanDerWaalsContact C-N 3.27Å; F65-L67 PolarHBondContact O-N 3.38Å; F65-A68 PolarHBondContact O-N 2.82Å; F65-A68 VanDerWaalsContact O-N 3.15Å; F65-D69 PolarHBondContact O-N 2.92Å; F65-V87 HydrophobicContact CE2-CG1 4.18Å; F65-E90 HydrophobicContact CE1-CB 4.35Å; F65-E90 HydrophobicContact CZ-CB 3.72Å; F65-I91 HydrophobicContact CD1-CG1 3.83Å; F65-I91 HydrophobicContact CD2-CD1 3.99Å; F65-I91 HydrophobicContact CD2-CG1 3.7Å; F65-I91 HydrophobicContact CE1-CB 4.43Å; F65-I91 HydrophobicContact CE1-CG1 3.64Å; F65-I91 HydrophobicContact CE2-CD1 3.99Å; F65-I91 HydrophobicContact CE2-CG1 3.49Å; F65-I91 VanDerWaalsContact CE2-CG1 3.49Å; F65-I91 HydrophobicContact CG-CD1 4.43Å; F65-I91 HydrophobicContact CG-CG1 3.87Å; F65-I91 HydrophobicContact CZ-CB 4.49Å; F65-I91 HydrophobicContact CZ-CD1 4.45Å; F65-I91 HydrophobicContact CZ-CG1 3.47Å; F65-I91 VanDerWaalsContact CZ-CG1 3.47Å
66A98.5Very high97.9Very high5 Ų520.5 Ų20.54%0.04111%0.108CC..Hα-helixtrans-64.4-30.7-17500000113.4A62 Y63 R70 V254 L258A62-A66 WeakPolarHBondContact O-CB 3.46Å; A62-A66 PolarHBondContact O-N 2.74Å; Y63-A66 PolarHBondContact O-N 2.96Å; A66-R70 VanDerWaalsContact O-CD 3.25Å; A66-R70 WeakPolarHBondContact O-CD 3.25Å; A66-R70 VanDerWaalsContact O-CG 3.28Å; A66-R70 WeakPolarHBondContact O-CG 3.5Å; A66-R70 PolarHBondContact O-NH1 3.09Å; A66-V254 HydrophobicContact CB-CG1 3.64Å; A66-L258 HydrophobicContact CB-CD1 3.76Å
67L98.8Very high98.1Very high0 Ų019.5 Ų19.50%010%0.101CC..Hα-helixtrans-78.1-38.9174.8-69.6167.4000111.3F43 A50 V52 Y63 F65 R70 G71 M72 V74 V126 V128 L258F43-L67 HydrophobicContact CD1-CD2 3.81Å; F43-L67 HydrophobicContact CE1-CD2 4.09Å; F43-L67 HydrophobicContact CG-CD2 4.13Å; A50-L67 HydrophobicContact CB-CB 4.25Å; A50-L67 HydrophobicContact CB-CD1 3.79Å; V52-L67 HydrophobicContact CG2-CD1 4.27Å; Y63-L67 WeakPolarHBondContact O-CB 3.27Å; Y63-L67 VanDerWaalsContact O-CG 3.28Å; Y63-L67 WeakPolarHBondContact O-CG 3.47Å; Y63-L67 PolarHBondContact O-N 2.81Å; F65-L67 VanDerWaalsContact C-N 3.27Å; F65-L67 PolarHBondContact O-N 3.38Å; L67-R70 CarbonylContact O-C 3.55Å; L67-R70 WeakPolarHBondContact O-CA 3.24Å; L67-R70 WeakPolarHBondContact O-CB 3.26Å; L67-R70 PolarHBondContact O-N 2.9Å; L67-G71 PolarHBondContact O-N 3.16Å; L67-M72 HydrophobicContact CB-CB 4.43Å; L67-M72 WeakPolarHBondContact O-CB 3.18Å; L67-M72 PolarHBondContact O-N 3.16Å; L67-V74 HydrophobicContact CB-CG1 4.42Å; L67-V126 HydrophobicContact CD1-CG1 4.03Å; L67-V126 HydrophobicContact CD2-CG1 4.38Å; L67-V128 HydrophobicContact CD1-CG2 3.86Å; L67-L258 HydrophobicContact CD2-CD2 4.37Å
68A98.6Very high98.2Very high1 Ų117.4 Ų17.41%0.0089%0.093CC..Hα-helixtrans-61.7-43.8173.200000112.2A64 F65 R70 G71 M72 V74 I91 T95 R97A64-A68 WeakPolarHBondContact O-CB 3.43Å; A64-A68 PolarHBondContact O-N 2.85Å; F65-A68 PolarHBondContact O-N 2.82Å; F65-A68 VanDerWaalsContact O-N 3.15Å; A68-R70 PolarHBondContact O-N 2.96Å; A68-R70 VanDerWaalsContact O-N 3.09Å; A68-G71 WeakPolarHBondContact O-CA 3.46Å; A68-G71 PolarHBondContact O-N 2.82Å; A68-M72 WeakPolarHBondContact CA-O 3.25Å; A68-V74 HydrophobicContact CB-CG1 4.12Å; A68-I91 HydrophobicContact CB-CG2 3.56Å; A68-T95 HydrophobicContact CB-CG2 3.9Å; A68-R97 HydrophobicContact CB-CB 4.35Å; A68-R97 HydrophobicContact CB-CG 4.23Å; A68-R97 WeakPolarHBondContact O-CG 3.22Å
69D97.9Very high98.1Very high100 Ų10023.2 Ų23.254%0.53511%0.11SC..THydrogen-bonded Turntrans-57.5-24.9172.3-75.8-19.7000112.9F65 G71 T95F65-D69 PolarHBondContact O-N 2.92Å; D69-G71 VanDerWaalsContact C-N 3.29Å; D69-T95 WeakPolarHBondContact OD1-CG2 3.31Å
70R97.6Very high98Very high74 Ų7425.9 Ų25.928%0.27913%0.127SC..THydrogen-bonded Turntrans-91.410.5176.9-70.5167170.871-0.3112.8F43 A66 L67 A68F43-R70 HydrophobicContact CD2-CB 4.32Å; F43-R70 HydrophobicContact CD2-CG 4.43Å; A66-R70 VanDerWaalsContact O-CD 3.25Å; A66-R70 WeakPolarHBondContact O-CD 3.25Å; A66-R70 VanDerWaalsContact O-CG 3.28Å; A66-R70 WeakPolarHBondContact O-CG 3.5Å; A66-R70 PolarHBondContact O-NH1 3.09Å; L67-R70 CarbonylContact O-C 3.55Å; L67-R70 WeakPolarHBondContact O-CA 3.24Å; L67-R70 WeakPolarHBondContact O-CB 3.26Å; L67-R70 PolarHBondContact O-N 2.9Å; A68-R70 PolarHBondContact O-N 2.96Å; A68-R70 VanDerWaalsContact O-N 3.09Å
71G97.9Very high97.9Very high23 Ų2331.7 Ų31.724%0.23715%0.152CC..THydrogen-bonded Turntrans92.45.3171.900000115.2L67 A68 D69 R97L67-G71 PolarHBondContact O-N 3.16Å; A68-G71 WeakPolarHBondContact O-CA 3.46Å; A68-G71 PolarHBondContact O-N 2.82Å; D69-G71 VanDerWaalsContact C-N 3.29Å; G71-R97 PolarHBondContact O-NH1 3.06Å
72M98.7Very high97.9Very high1 Ų131.9 Ų31.91%0.00517%0.167CC..  trans-81143179.1-63.4-113.946.300111.2F43 T44 G47 E48 W49 A50 L67 A68 R97 V126F43-M72 HydrophobicContact CB-CG 4.01Å; F43-M72 HydrophobicContact CB-SD 3.82Å; T44-M72 HydrophobicContact CG2-CG 4.18Å; G47-M72 WeakPolarHBondContact O-CE 3.42Å; E48-M72 WeakPolarHBondContact O-CE 3.16Å; W49-M72 VanDerWaalsContact N-CE 3.28Å; A50-M72 HydrophobicContact CB-CB 4.36Å; A50-M72 HydrophobicContact CB-SD 4.35Å; L67-M72 HydrophobicContact CB-CB 4.43Å; L67-M72 WeakPolarHBondContact O-CB 3.18Å; L67-M72 PolarHBondContact O-N 3.16Å; A68-M72 WeakPolarHBondContact CA-O 3.25Å; M72-R97 WeakPolarHBondContact O-CB 3.49Å; M72-R97 WeakPolarHBondContact O-CG 3.42Å; M72-V126 HydrophobicContact SD-CG2 3.88Å
73N98.8Very high97.7Very high19 Ų1934.3 Ų34.310%0.10218%0.182CC..EExtended strand (participates in β ladder)trans-73152.2158-57.7-57.8000108.4E48 W49 A50 R98E48-N73 WeakPolarHBondContact O-CB 3.47Å; E48-N73 PolarHBondContact O-N 3.31Å; E48-N73 PolarHBondContact O-ND2 2.89Å; W49-N73 CarbonylContact C-O 3.59Å; W49-N73 WeakPolarHBondContact CA-O 3.36Å; W49-N73 HydrophobicContact CD2-CB 3.42Å; W49-N73 VanDerWaalsContact CD2-CB 3.42Å; W49-N73 HydrophobicContact CE3-CB 3.36Å; W49-N73 HydrophobicContact CG-CB 4.1Å; W49-N73 HydrophobicContact CH2-CB 3.77Å; W49-N73 HydrophobicContact CZ2-CB 3.8Å; W49-N73 HydrophobicContact CZ3-CB 3.55Å; A50-N73 PolarHBondContact N-O 3.34Å; N73-R98 WeakPolarHBondContact CA-O 3.31Å; N73-R98 HydrophobicContact CB-CB 4.24Å; N73-R98 WeakPolarHBondContact CB-O 3.28Å; N73-R98 PolarHBondContact ND2-NH2 2.86Å; N73-R98 WeakPolarHBondContact OD1-CB 3.32Å; N73-R98 PolarHBondContact OD1-N 3.14Å; N73-R98 VanDerWaalsContact OD1-N 3.1Å; N73-R98 PolarHBondContact OD1-NE 3.25Å
74V98.8Very high97.7Very high0 Ų034.2 Ų34.20%018%0.182CC..EExtended strand (participates in β ladder)trans-127133.7-175.3-64.10000112.2A50 L67 A68 I76 I91 R98 V99 K100A50-V74 HydrophobicContact CB-CG1 4.32Å; A50-V74 CarbonylContact O-C 2.95Å; A50-V74 VanDerWaalsContact O-CA 3.32Å; A50-V74 WeakPolarHBondContact O-CA 3.37Å; L67-V74 HydrophobicContact CB-CG1 4.42Å; A68-V74 HydrophobicContact CB-CG1 4.12Å; V74-I76 HydrophobicContact CG2-CG2 4.34Å; V74-I91 HydrophobicContact CG2-CD1 4.17Å; V74-I91 HydrophobicContact CG2-CG2 4.01Å; V74-R98 PolarHBondContact N-O 3.01Å; V74-V99 HydrophobicContact CG2-CB 4.28Å; V74-V99 HydrophobicContact CG2-CG1 3.99Å; V74-V99 HydrophobicContact CG2-CG2 3.79Å; V74-V99 CarbonylContact O-C 3.48Å; V74-V99 VanDerWaalsContact O-CA 3.27Å; V74-V99 WeakPolarHBondContact O-CA 3.34Å; V74-K100 PolarHBondContact O-N 2.96Å
75V98.9Very high97.6Very high0 Ų038.7 Ų38.70%020%0.202CC..EExtended strand (participates in β ladder)trans-98120.9163.9-171.30000107.6W49 A50 V51 V52 M77 K100 I102 L119 L122W49-V75 HydrophobicContact CD2-CG2 4.45Å; W49-V75 HydrophobicContact CE3-CG2 3.66Å; W49-V75 HydrophobicContact CZ3-CG2 4.19Å; A50-V75 PolarHBondContact O-N 2.77Å; V51-V75 HydrophobicContact CB-CB 4.49Å; V51-V75 HydrophobicContact CG2-CB 4.05Å; V51-V75 HydrophobicContact CG2-CG2 4.11Å; V52-V75 PolarHBondContact N-O 3.36Å; V75-M77 HydrophobicContact CG1-CE 4.03Å; V75-M77 HydrophobicContact CG1-CG 4.48Å; V75-K100 CarbonylContact C-O 3.55Å; V75-K100 VanDerWaalsContact CA-O 3.27Å; V75-K100 WeakPolarHBondContact CA-O 3.49Å; V75-K100 HydrophobicContact CG1-CB 4.32Å; V75-K100 HydrophobicContact CG1-CG 4.3Å; V75-K100 HydrophobicContact CG2-CB 4.16Å; V75-I102 HydrophobicContact CG1-CD1 3.63Å; V75-I102 HydrophobicContact CG1-CG1 3.98Å; V75-L119 HydrophobicContact CB-CD2 4.44Å; V75-L119 HydrophobicContact CG1-CD2 4.07Å; V75-L119 HydrophobicContact CG2-CD2 4.07Å; V75-L122 HydrophobicContact CG2-CD1 3.69Å
76I98.8Very high97.6Very high0 Ų043.3 Ų43.30%022%0.222CC..EExtended strand (participates in β ladder)trans-110.2132.1179.458171.4000110.4A55 A64 V74 L84 V87 A88 V99 K100 V101 I102A55-I76 HydrophobicContact CB-CB 3.66Å; A55-I76 HydrophobicContact CB-CG2 3.73Å; A64-I76 HydrophobicContact CB-CG2 3.75Å; V74-I76 HydrophobicContact CG2-CG2 4.34Å; I76-L84 HydrophobicContact CB-CD2 4.08Å; I76-L84 HydrophobicContact CD1-CB 4.23Å; I76-L84 HydrophobicContact CD1-CD2 3.88Å; I76-L84 WeakPolarHBondContact CD1-O 3.27Å; I76-L84 HydrophobicContact CG1-CD2 3.95Å; I76-V87 HydrophobicContact CD1-CB 4.11Å; I76-V87 HydrophobicContact CD1-CG1 3.88Å; I76-A88 HydrophobicContact CD1-CB 3.98Å; I76-V99 HydrophobicContact CD1-CG1 3.86Å; I76-V99 HydrophobicContact CG1-CG1 3.83Å; I76-K100 PolarHBondContact N-O 2.94Å; I76-V101 HydrophobicContact CD1-CG2 4.1Å; I76-V101 HydrophobicContact CG1-CG2 4.01Å; I76-I102 PolarHBondContact O-N 3.33Å
77M98.4Very high97.6Very high0 Ų043.3 Ų43.30%022%0.222CC..EExtended strand (participates in β ladder)trans-125.7132.2-176.9-50.5175.9167.900111.8V51 V52 T53 G54 A55 V75 I102 F106 I115 L119 M166V51-M77 HydrophobicContact CG1-CE 3.52Å; V51-M77 HydrophobicContact CG1-SD 3.95Å; V52-M77 PolarHBondContact O-N 3.31Å; T53-M77 HydrophobicContact CG2-SD 3.99Å; G54-M77 WeakPolarHBondContact CA-O 3.27Å; G54-M77 PolarHBondContact N-O 2.95Å; A55-M77 PolarHBondContact N-O 2.82Å; V75-M77 HydrophobicContact CG1-CE 4.03Å; V75-M77 HydrophobicContact CG1-CG 4.48Å; M77-I102 WeakPolarHBondContact CA-O 3.39Å; M77-I102 HydrophobicContact CE-CD1 3.68Å; M77-I102 HydrophobicContact CG-CB 4.13Å; M77-F106 HydrophobicContact CB-CE2 4.03Å; M77-F106 HydrophobicContact CB-CZ 4.05Å; M77-F106 HydrophobicContact SD-CZ 3.94Å; M77-I115 HydrophobicContact CE-CG2 3.77Å; M77-L119 HydrophobicContact CE-CD1 3.93Å; M77-L119 HydrophobicContact CE-CD2 4.16Å; M77-L119 HydrophobicContact CE-CG 4.34Å; M77-M166 HydrophobicContact CE-CE 3.97Å; M77-M166 HydrophobicContact SD-CE 4.01Å
78S96.2Very high97.6Very high12 Ų1244.1 Ų44.18%0.08423%0.228CC..EExtended strand (participates in β ladder)trans-168.3-179.5171.5-164.20000109.7S56 L84 V103 A104S56-S78 WeakPolarHBondContact CB-OG 3.37Å; S56-S78 PolarHBondContact OG-OG 3.27Å; S78-L84 WeakPolarHBondContact O-CD1 3.24Å; S78-V103 WeakPolarHBondContact O-CA 3.38Å; S78-A104 CarbonylContact C-O 3.54Å; S78-A104 PolarHBondContact O-N 3.34Å
79R93.9Very high97.6Very high136 Ų13649.7 Ų49.751%0.51325%0.254SS..SBendtrans-80.9-30.9-175-67175.1-63.3162.96.2114.2V103 A104 D105R79-V103 WeakPolarHBondContact O-CG1 3.33Å; R79-A104 WeakPolarHBondContact CG-O 3.4Å; R79-A104 PolarHBondContact N-O 3.04Å; R79-D105 WeakPolarHBondContact CD-OD1 3.5Å; R79-D105 WeakPolarHBondContact CD-OD2 3.47Å; R79-D105 HydrophobicContact CG-CB 3.82Å
80T95.2Very high97.6Very high75 Ų7547.2 Ų47.246%0.4624%0.24SC..  trans-103.8101.9-169.5-510000110.6A82 T83 L84T80-A82 PolarHBondContact O-N 3.48Å; T80-T83 WeakPolarHBondContact CG2-OG1 3.39Å; T80-T83 PolarHBondContact O-N 2.95Å; T80-T83 VanDerWaalsContact O-N 3.16Å; T80-L84 PolarHBondContact O-N 3.46Å; T80-L84 VanDerWaalsContact O-N 3.12Å
81K96.2Very high97.6Very high122 Ų12243.7 Ų43.753%0.5323%0.226SC..Hα-helixtrans-50.2-54.2-178.8-173.8171171.1174.40113.1T83 L84 E85 V103K81-T83 VanDerWaalsContact C-N 3.26Å; K81-T83 PolarHBondContact O-N 3.49Å; K81-L84 WeakPolarHBondContact O-CA 3.48Å; K81-L84 WeakPolarHBondContact O-CB 3.27Å; K81-L84 PolarHBondContact O-N 2.92Å; K81-E85 WeakPolarHBondContact CE-OE1 3.45Å; K81-E85 HydrophobicContact CG-CG 4.27Å; K81-E85 IonicContact NZ-OE1 2.75Å; K81-E85 WeakPolarHBondContact O-CG 3.39Å; K81-E85 PolarHBondContact O-N 2.88Å; K81-V103 HydrophobicContact CB-CG2 3.69Å; K81-V103 HydrophobicContact CD-CG2 4.22Å; K81-V103 HydrophobicContact CG-CG2 3.85Å
82A97.2Very high97.6Very high67 Ų6743.9 Ų43.955%0.55423%0.228SC*.Hα-helixtrans-58.5-34.9-178.200000113.6T80 K86T80-A82 PolarHBondContact O-N 3.48Å; A82-K86 PolarHBondContact O-N 3.06Å
83T96Very high97.6Very high54 Ų5450.8 Ų50.833%0.33126%0.26SS..Hα-helixtrans-71.5-39.1175.5-52.20000111.5T80 K81 V87T80-T83 WeakPolarHBondContact CG2-OG1 3.39Å; T80-T83 PolarHBondContact O-N 2.95Å; T80-T83 VanDerWaalsContact O-N 3.16Å; K81-T83 VanDerWaalsContact C-N 3.26Å; K81-T83 PolarHBondContact O-N 3.49Å; T83-V87 WeakPolarHBondContact O-CG2 3.18Å; T83-V87 PolarHBondContact O-N 3.14Å; T83-V87 VanDerWaalsContact O-N 3.09Å
84L97.3Very high97.5Very high0 Ų054.3 Ų54.30%028%0.283CS..Hα-helixtrans-66.9-42.4176.3-71.8167.5000111.9I76 S78 T80 K81 K86 V87 A88 V101 V103I76-L84 HydrophobicContact CB-CD2 4.08Å; I76-L84 HydrophobicContact CD1-CB 4.23Å; I76-L84 HydrophobicContact CD1-CD2 3.88Å; I76-L84 WeakPolarHBondContact CD1-O 3.27Å; I76-L84 HydrophobicContact CG1-CD2 3.95Å; S78-L84 WeakPolarHBondContact O-CD1 3.24Å; T80-L84 PolarHBondContact O-N 3.46Å; T80-L84 VanDerWaalsContact O-N 3.12Å; K81-L84 WeakPolarHBondContact O-CA 3.48Å; K81-L84 WeakPolarHBondContact O-CB 3.27Å; K81-L84 PolarHBondContact O-N 2.92Å; L84-K86 VanDerWaalsContact C-N 3.31Å; L84-K86 PolarHBondContact O-N 3.37Å; L84-V87 CarbonylContact O-C 3.57Å; L84-V87 PolarHBondContact O-N 3.2Å; L84-V87 VanDerWaalsContact O-N 3.14Å; L84-A88 WeakPolarHBondContact O-CB 3.27Å; L84-A88 PolarHBondContact O-N 2.87Å; L84-V101 HydrophobicContact CB-CG1 3.61Å; L84-V101 HydrophobicContact CB-CG2 4.33Å; L84-V101 HydrophobicContact CD1-CG1 3.83Å; L84-V101 HydrophobicContact CG-CG1 4.34Å; L84-V103 HydrophobicContact CD1-CG2 4.5Å
85E98.1Very high97.5Very high94 Ų9455.4 Ų55.444%0.43929%0.289SS..Hα-helixtrans-59.2-44177.8-7317215700111.1K81 V87 A88 E89K81-E85 WeakPolarHBondContact CE-OE1 3.45Å; K81-E85 HydrophobicContact CG-CG 4.27Å; K81-E85 IonicContact NZ-OE1 2.75Å; K81-E85 WeakPolarHBondContact O-CG 3.39Å; K81-E85 PolarHBondContact O-N 2.88Å; E85-V87 PolarHBondContact O-N 3Å; E85-A88 WeakPolarHBondContact O-CB 3.5Å; E85-A88 PolarHBondContact O-N 3.33Å; E85-E89 PolarHBondContact O-N 2.78Å
86K98.1Very high97.4Very high126 Ų12658.5 Ų58.555%0.54832%0.321SS..Hα-helixtrans-60.3-45.3173.4-171.8-179.5-177.3-171.30112.5A82 L84 A88 E89 E90A82-K86 PolarHBondContact O-N 3.06Å; L84-K86 VanDerWaalsContact C-N 3.31Å; L84-K86 PolarHBondContact O-N 3.37Å; K86-A88 VanDerWaalsContact C-N 3.29Å; K86-A88 PolarHBondContact O-N 3.33Å; K86-E89 PolarHBondContact O-N 3.44Å; K86-E90 WeakPolarHBondContact CE-OE1 3.48Å; K86-E90 IonicContact NZ-OE1 2.98Å; K86-E90 WeakPolarHBondContact O-CB 3.39Å; K86-E90 VanDerWaalsContact O-CG 3.27Å; K86-E90 WeakPolarHBondContact O-CG 3.3Å; K86-E90 PolarHBondContact O-N 3.19Å
87V98.1Very high97.4Very high5 Ų563.6 Ų63.63%0.0334%0.34CS..Hα-helixtrans-63.6-37.5176.91700000111.1R61 F65 I76 T83 L84 E85 I91R61-V87 HydrophobicContact CG-CG1 4.2Å; R61-V87 HydrophobicContact CG-CG2 4.32Å; F65-V87 HydrophobicContact CE2-CG1 4.18Å; I76-V87 HydrophobicContact CD1-CB 4.11Å; I76-V87 HydrophobicContact CD1-CG1 3.88Å; T83-V87 WeakPolarHBondContact O-CG2 3.18Å; T83-V87 PolarHBondContact O-N 3.14Å; T83-V87 VanDerWaalsContact O-N 3.09Å; L84-V87 CarbonylContact O-C 3.57Å; L84-V87 PolarHBondContact O-N 3.2Å; L84-V87 VanDerWaalsContact O-N 3.14Å; E85-V87 PolarHBondContact O-N 3Å; V87-I91 HydrophobicContact CG1-CD1 3.77Å; V87-I91 HydrophobicContact CG1-CG1 4.4Å; V87-I91 WeakPolarHBondContact O-CB 3.35Å; V87-I91 VanDerWaalsContact O-CG1 3.24Å; V87-I91 WeakPolarHBondContact O-CG1 3.41Å; V87-I91 PolarHBondContact O-N 2.66Å
88A98.5Very high97.4Very high17 Ų1770.2 Ų70.214%0.1437%0.365CS..Hα-helixtrans-65.9-44.6177.800000112.3I76 L84 E85 K86 I91 G92 V99 V101I76-A88 HydrophobicContact CD1-CB 3.98Å; L84-A88 WeakPolarHBondContact O-CB 3.27Å; L84-A88 PolarHBondContact O-N 2.87Å; E85-A88 WeakPolarHBondContact O-CB 3.5Å; E85-A88 PolarHBondContact O-N 3.33Å; K86-A88 VanDerWaalsContact C-N 3.29Å; K86-A88 PolarHBondContact O-N 3.33Å; A88-I91 PolarHBondContact O-N 2.99Å; A88-G92 PolarHBondContact O-N 3.47Å; A88-V99 HydrophobicContact CB-CB 3.83Å; A88-V99 HydrophobicContact CB-CG1 3.43Å; A88-V99 VanDerWaalsContact CB-CG1 3.43Å; A88-V99 HydrophobicContact CB-CG2 4.47Å; A88-V101 HydrophobicContact CB-CG2 3.73Å
89E98.4Very high97.5Very high118 Ų11871.4 Ų71.455%0.55137%0.372SS*.Hα-helixtrans-58.6-53.3174.1-176.9176-151.900110.4E85 K86 I91 G92 E93E85-E89 PolarHBondContact O-N 2.78Å; K86-E89 PolarHBondContact O-N 3.44Å; E89-I91 VanDerWaalsContact C-N 3.33Å; E89-I91 PolarHBondContact O-N 3.43Å; E89-G92 PolarHBondContact O-N 3.09Å; E89-E93 HydrophobicContact CG-CG 4.42Å; E89-E93 WeakPolarHBondContact O-CG 3.37Å; E89-E93 PolarHBondContact O-N 2.9Å
90E98.3Very high97.7Very high49 Ų4967.7 Ų67.723%0.22936%0.359CS..Hα-helixtrans-57.7-42.2179.2-69.9171.2-179.500112.4R61 F65 K86 T94R61-E90 IonicContact CZ-OE2 3.75Å; R61-E90 IonicContact NE-OE2 2.66Å; R61-E90 IonicContact NH2-OE2 3.57Å; R61-E90 PolarHBondContact NH2-OE2 2.91Å; F65-E90 HydrophobicContact CE1-CB 4.35Å; F65-E90 HydrophobicContact CZ-CB 3.72Å; K86-E90 WeakPolarHBondContact CE-OE1 3.48Å; K86-E90 IonicContact NZ-OE1 2.98Å; K86-E90 WeakPolarHBondContact O-CB 3.39Å; K86-E90 VanDerWaalsContact O-CG 3.27Å; K86-E90 WeakPolarHBondContact O-CG 3.3Å; K86-E90 PolarHBondContact O-N 3.19Å; E90-T94 WeakPolarHBondContact O-CB 3.49Å; E90-T94 VanDerWaalsContact O-CG2 3.27Å; E90-T94 WeakPolarHBondContact O-CG2 3.37Å; E90-T94 PolarHBondContact O-N 3.5Å; E90-T94 VanDerWaalsContact O-N 3.09Å; E90-T94 PolarHBondContact O-OG1 3.48Å
91I98.5Very high97.9Very high0 Ų066.2 Ų66.20%035%0.35CS..Hα-helixtrans-66.1-44.8175.9-70.3170.4000110.6A64 F65 A68 V74 V87 A88 E89 T94 T95 V99A64-I91 HydrophobicContact CB-CD1 3.76Å; F65-I91 HydrophobicContact CD1-CG1 3.83Å; F65-I91 HydrophobicContact CD2-CD1 3.99Å; F65-I91 HydrophobicContact CD2-CG1 3.7Å; F65-I91 HydrophobicContact CE1-CB 4.43Å; F65-I91 HydrophobicContact CE1-CG1 3.64Å; F65-I91 HydrophobicContact CE2-CD1 3.99Å; F65-I91 HydrophobicContact CE2-CG1 3.49Å; F65-I91 VanDerWaalsContact CE2-CG1 3.49Å; F65-I91 HydrophobicContact CG-CD1 4.43Å; F65-I91 HydrophobicContact CG-CG1 3.87Å; F65-I91 HydrophobicContact CZ-CB 4.49Å; F65-I91 HydrophobicContact CZ-CD1 4.45Å; F65-I91 HydrophobicContact CZ-CG1 3.47Å; F65-I91 VanDerWaalsContact CZ-CG1 3.47Å; A68-I91 HydrophobicContact CB-CG2 3.56Å; V74-I91 HydrophobicContact CG2-CD1 4.17Å; V74-I91 HydrophobicContact CG2-CG2 4.01Å; V87-I91 HydrophobicContact CG1-CD1 3.77Å; V87-I91 HydrophobicContact CG1-CG1 4.4Å; V87-I91 WeakPolarHBondContact O-CB 3.35Å; V87-I91 VanDerWaalsContact O-CG1 3.24Å; V87-I91 WeakPolarHBondContact O-CG1 3.41Å; V87-I91 PolarHBondContact O-N 2.66Å; A88-I91 PolarHBondContact O-N 2.99Å; E89-I91 VanDerWaalsContact C-N 3.33Å; E89-I91 PolarHBondContact O-N 3.43Å; I91-T94 PolarHBondContact O-N 2.9Å; I91-T94 PolarHBondContact O-OG1 2.78Å; I91-T95 WeakPolarHBondContact O-CB 3.41Å; I91-T95 PolarHBondContact O-N 3.49Å; I91-T95 PolarHBondContact O-OG1 2.92Å; I91-V99 HydrophobicContact CB-CG2 3.85Å; I91-V99 HydrophobicContact CG2-CG2 3.55Å
92G98Very high98Very high26 Ų2660.5 Ų60.527%0.26833%0.325SS..Hα-helixtrans-60.2-46.8179.800000112A88 E89 G96A88-G92 PolarHBondContact O-N 3.47Å; E89-G92 PolarHBondContact O-N 3.09Å; G92-G96 WeakPolarHBondContact O-CA 3.5Å; G92-G96 PolarHBondContact O-N 3.28Å
93E98Very high98Very high146 Ų14660.9 Ų60.968%0.68232%0.321SS*.Hα-helixtrans-64.7-43.1178.6-70.7-17815700112.6E89E89-E93 HydrophobicContact CG-CG 4.42Å; E89-E93 WeakPolarHBondContact O-CG 3.37Å; E89-E93 PolarHBondContact O-N 2.9Å
94T97.5Very high98Very high94 Ų9458.4 Ų58.458%0.57731%0.306SS*.Hα-helixtrans-80.7-28.9-174.353.40000113.7E90 I91E90-T94 WeakPolarHBondContact O-CB 3.49Å; E90-T94 VanDerWaalsContact O-CG2 3.27Å; E90-T94 WeakPolarHBondContact O-CG2 3.37Å; E90-T94 PolarHBondContact O-N 3.5Å; E90-T94 VanDerWaalsContact O-N 3.09Å; E90-T94 PolarHBondContact O-OG1 3.48Å; I91-T94 PolarHBondContact O-N 2.9Å; I91-T94 PolarHBondContact O-OG1 2.78Å
95T97.7Very high97.8Very high23 Ų2360.3 Ų60.314%0.14132%0.316CS..Hα-helixtrans-118.7-14.6-171.172.80000114.4A68 D69 I91 R97A68-T95 HydrophobicContact CB-CG2 3.9Å; D69-T95 WeakPolarHBondContact OD1-CG2 3.31Å; I91-T95 WeakPolarHBondContact O-CB 3.41Å; I91-T95 PolarHBondContact O-N 3.49Å; I91-T95 PolarHBondContact O-OG1 2.92Å; T95-R97 PolarHBondContact O-N 3.29Å; T95-R97 PolarHBondContact O-NE 3.43Å; T95-R97 WeakPolarHBondContact OG1-CB 3.18Å; T95-R97 WeakPolarHBondContact OG1-CG 3.03Å; T95-R97 PolarHBondContact OG1-N 2.88Å
96G97.6Very high97.7Very high64 Ų6456 Ų5666%0.6630%0.296SS*.  trans6514.5-17300000114.1G92G92-G96 WeakPolarHBondContact O-CA 3.5Å; G92-G96 PolarHBondContact O-N 3.28Å
97R98.3Very high97.2Very high107 Ų10751.6 Ų51.640%0.40428%0.281SS..  trans-90.1152.4-178.6-60.3-62.9130.9179.3-4111.6A68 G71 M72 T95A68-R97 HydrophobicContact CB-CB 4.35Å; A68-R97 HydrophobicContact CB-CG 4.23Å; A68-R97 WeakPolarHBondContact O-CG 3.22Å; G71-R97 PolarHBondContact O-NH1 3.06Å; M72-R97 WeakPolarHBondContact O-CB 3.49Å; M72-R97 WeakPolarHBondContact O-CG 3.42Å; T95-R97 PolarHBondContact O-N 3.29Å; T95-R97 PolarHBondContact O-NE 3.43Å; T95-R97 WeakPolarHBondContact OG1-CB 3.18Å; T95-R97 WeakPolarHBondContact OG1-CG 3.03Å; T95-R97 PolarHBondContact OG1-N 2.88Å
98R98.5Very high96.6Very high140 Ų14056.7 Ų56.753%0.52830%0.304SS..  trans-72.3136.9173.8-59.9-179.3-66.2-156.22.2109.4E48 W49 N73 V74E48-R98 IonicContact OE2-NH2 3.56Å; W49-R98 HydrophobicContact CH2-CB 3.72Å; W49-R98 HydrophobicContact CZ2-CB 4.26Å; W49-R98 HydrophobicContact CZ3-CB 4.46Å; N73-R98 WeakPolarHBondContact CA-O 3.31Å; N73-R98 HydrophobicContact CB-CB 4.24Å; N73-R98 WeakPolarHBondContact CB-O 3.28Å; N73-R98 PolarHBondContact ND2-NH2 2.86Å; N73-R98 WeakPolarHBondContact OD1-CB 3.32Å; N73-R98 PolarHBondContact OD1-N 3.14Å; N73-R98 VanDerWaalsContact OD1-N 3.1Å; N73-R98 PolarHBondContact OD1-NE 3.25Å; V74-R98 PolarHBondContact N-O 3.01Å
99V98.7Very high95.7Very high36 Ų3661.4 Ų61.422%0.21832%0.323CS..EExtended strand (participates in β ladder)trans-121125.3175-173.20000109.3V74 I76 A88 I91V74-V99 HydrophobicContact CG2-CB 4.28Å; V74-V99 HydrophobicContact CG2-CG1 3.99Å; V74-V99 HydrophobicContact CG2-CG2 3.79Å; V74-V99 CarbonylContact O-C 3.48Å; V74-V99 VanDerWaalsContact O-CA 3.27Å; V74-V99 WeakPolarHBondContact O-CA 3.34Å; I76-V99 HydrophobicContact CD1-CG1 3.86Å; I76-V99 HydrophobicContact CG1-CG1 3.83Å; A88-V99 HydrophobicContact CB-CB 3.83Å; A88-V99 HydrophobicContact CB-CG1 3.43Å; A88-V99 VanDerWaalsContact CB-CG1 3.43Å; A88-V99 HydrophobicContact CB-CG2 4.47Å; I91-V99 HydrophobicContact CB-CG2 3.85Å; I91-V99 HydrophobicContact CG2-CG2 3.55Å
100K98.6Very high95Very high59 Ų5962.4 Ų62.426%0.25733%0.332SS..EExtended strand (participates in β ladder)trans-104.2129.4170.3177.6169.9169.1145.50108.8W49 V74 V75 I76 I102 E118 L122W49-K100 HydrophobicContact CH2-CB 4.3Å; W49-K100 HydrophobicContact CZ3-CB 3.9Å; V74-K100 PolarHBondContact O-N 2.96Å; V75-K100 CarbonylContact C-O 3.55Å; V75-K100 VanDerWaalsContact CA-O 3.27Å; V75-K100 WeakPolarHBondContact CA-O 3.49Å; V75-K100 HydrophobicContact CG1-CB 4.32Å; V75-K100 HydrophobicContact CG1-CG 4.3Å; V75-K100 HydrophobicContact CG2-CB 4.16Å; I76-K100 PolarHBondContact N-O 2.94Å; K100-I102 HydrophobicContact CG-CG1 4.45Å; K100-E118 WeakPolarHBondContact CE-O 3.42Å; K100-E118 WeakPolarHBondContact CE-OE2 3.41Å; K100-E118 PolarHBondContact NZ-O 3.05Å; K100-E118 IonicContact NZ-OE2 3.92Å; K100-E118 PolarHBondContact NZ-OE2 3.47Å; K100-L122 HydrophobicContact CD-CD1 4.24Å
101V98.6Very high94.8Very high43 Ų4360.9 Ų60.926%0.26133%0.326SS..EExtended strand (participates in β ladder)trans-101.3128.8178.1174.60000108.8I76 L84 A88 V103I76-V101 HydrophobicContact CD1-CG2 4.1Å; I76-V101 HydrophobicContact CG1-CG2 4.01Å; L84-V101 HydrophobicContact CB-CG1 3.61Å; L84-V101 HydrophobicContact CB-CG2 4.33Å; L84-V101 HydrophobicContact CD1-CG1 3.83Å; L84-V101 HydrophobicContact CG-CG1 4.34Å; A88-V101 HydrophobicContact CB-CG2 3.73Å; V101-V103 HydrophobicContact CG1-CG2 4.46Å
102I98.2Very high94.6Very high3 Ų361.6 Ų61.62%0.01533%0.329CS..EExtended strand (participates in β ladder)trans-123.8124.3169.5-60175.5000107.8V75 I76 M77 K100 I115 E118 L119V75-I102 HydrophobicContact CG1-CD1 3.63Å; V75-I102 HydrophobicContact CG1-CG1 3.98Å; I76-I102 PolarHBondContact O-N 3.33Å; M77-I102 WeakPolarHBondContact CA-O 3.39Å; M77-I102 HydrophobicContact CE-CD1 3.68Å; M77-I102 HydrophobicContact CG-CB 4.13Å; K100-I102 HydrophobicContact CG-CG1 4.45Å; I102-I115 HydrophobicContact CG2-CG1 4.18Å; I102-E118 HydrophobicContact CD1-CB 3.76Å; I102-E118 HydrophobicContact CG1-CB 4.46Å; I102-L119 HydrophobicContact CD1-CD2 3.98Å; I102-L119 HydrophobicContact CD1-CG 4.38Å
103V97.3Very high94.5Very high75 Ų7569.5 Ų69.546%0.45535%0.351SS..EExtended strand (participates in β ladder)trans-88.8120.1178-177.10000108.1S78 R79 K81 L84 V101S78-V103 WeakPolarHBondContact O-CA 3.38Å; R79-V103 WeakPolarHBondContact O-CG1 3.33Å; K81-V103 HydrophobicContact CB-CG2 3.69Å; K81-V103 HydrophobicContact CD-CG2 4.22Å; K81-V103 HydrophobicContact CG-CG2 3.85Å; L84-V103 HydrophobicContact CD1-CG2 4.5Å; V101-V103 HydrophobicContact CG1-CG2 4.46Å
104A95.8Very high94.3Very high2 Ų269 Ų692%0.01735%0.348CS..  trans-146124.7-174.200000111.2S78 R79 F106 I111 I115S78-A104 CarbonylContact C-O 3.54Å; S78-A104 PolarHBondContact O-N 3.34Å; R79-A104 WeakPolarHBondContact CG-O 3.4Å; R79-A104 PolarHBondContact N-O 3.04Å; A104-F106 HydrophobicContact CB-CD2 4.39Å; A104-F106 HydrophobicContact CB-CE1 4.25Å; A104-F106 HydrophobicContact CB-CE2 3.88Å; A104-F106 HydrophobicContact CB-CZ 3.81Å; A104-I111 HydrophobicContact CB-CD1 3.87Å; A104-I115 HydrophobicContact CB-CD1 4.02Å
105D94.2Very high94.3Very high40 Ų4064.7 Ų64.721%0.21432%0.322CS..  trans-94.899.2164.2-161.7-29.1000111.2R79 S107 E108 I111R79-D105 WeakPolarHBondContact CD-OD1 3.5Å; R79-D105 WeakPolarHBondContact CD-OD2 3.47Å; R79-D105 HydrophobicContact CG-CB 3.82Å; D105-S107 VanDerWaalsContact CG-OG 3.3Å; D105-S107 PolarHBondContact O-N 2.93Å; D105-S107 VanDerWaalsContact O-N 3.09Å; D105-S107 WeakPolarHBondContact OD1-CB 3.5Å; D105-S107 PolarHBondContact OD1-N 3.11Å; D105-S107 PolarHBondContact OD1-OG 3.22Å; D105-E108 HydrophobicContact CB-CG 4.14Å; D105-E108 WeakPolarHBondContact O-CB 3.49Å; D105-E108 PolarHBondContact O-N 3.22Å; D105-I111 WeakPolarHBondContact O-CD1 3.41Å
106F93.9Very high94.3Very high4 Ų467.9 Ų67.92%0.01834%0.335CS..THydrogen-bonded Turntrans-69.41179-67.1-68.7000114.8T53 M77 A104 I111 F112 I115 V131 N157 C158 T162 M166T53-F106 HydrophobicContact CG2-CE2 4.33Å; T53-F106 HydrophobicContact CG2-CZ 3.92Å; M77-F106 HydrophobicContact CB-CE2 4.03Å; M77-F106 HydrophobicContact CB-CZ 4.05Å; M77-F106 HydrophobicContact SD-CZ 3.94Å; A104-F106 HydrophobicContact CB-CD2 4.39Å; A104-F106 HydrophobicContact CB-CE1 4.25Å; A104-F106 HydrophobicContact CB-CE2 3.88Å; A104-F106 HydrophobicContact CB-CZ 3.81Å; F106-I111 HydrophobicContact CD1-CD1 3.47Å; F106-I111 VanDerWaalsContact CD1-CD1 3.47Å; F106-I111 HydrophobicContact CE1-CD1 3.8Å; F106-I111 HydrophobicContact CG-CD1 4.09Å; F106-F112 HydrophobicContact CD1-CE1 4.03Å; F106-F112 HydrophobicContact CD1-CZ 4.24Å; F106-F112 HydrophobicContact CE1-CE1 4.17Å; F106-I115 HydrophobicContact CE1-CD1 3.74Å; F106-I115 HydrophobicContact CZ-CD1 4.14Å; F106-V131 HydrophobicContact CB-CG1 4.47Å; F106-V131 HydrophobicContact CB-CG2 4.23Å; F106-V131 HydrophobicContact CD2-CB 4.2Å; F106-V131 HydrophobicContact CD2-CG1 4.08Å; F106-V131 HydrophobicContact CD2-CG2 3.81Å; F106-V131 HydrophobicContact CG-CG1 4.2Å; F106-V131 HydrophobicContact CG-CG2 4.32Å; F106-N157 CarbonylContact O-C 3.54Å; F106-C158 PolarHBondContact O-N 3.48Å; F106-C158 PolarHBondContact O-SG 3.48Å; F106-C158 VanDerWaalsContact O-SG 3.4Å; F106-T162 HydrophobicContact CB-CG2 4.19Å; F106-T162 WeakPolarHBondContact CB-OG1 3.26Å; F106-T162 HydrophobicContact CD1-CG2 3.23Å; F106-T162 HydrophobicContact CE1-CG2 3.65Å; F106-T162 HydrophobicContact CG-CG2 3.76Å; F106-T162 HydrophobicContact CZ-CG2 4.46Å; F106-T162 PolarHBondContact O-OG1 3.38Å; F106-M166 HydrophobicContact CE1-SD 4.4Å
107S89.6Confident94.3Very high33 Ų3369.6 Ų69.623%0.23133%0.326CS..THydrogen-bonded Turntrans-84.6-18.5167.167.60000112.6D105 N157 C158D105-S107 VanDerWaalsContact CG-OG 3.3Å; D105-S107 PolarHBondContact O-N 2.93Å; D105-S107 VanDerWaalsContact O-N 3.09Å; D105-S107 WeakPolarHBondContact OD1-CB 3.5Å; D105-S107 PolarHBondContact OD1-N 3.11Å; D105-S107 PolarHBondContact OD1-OG 3.22Å; S107-N157 PolarHBondContact O-ND2 3.37Å; S107-C158 PolarHBondContact N-SG 3.29Å; S107-C158 VanDerWaalsContact N-SG 3.44Å
108E85.4Confident94.3Very high112 Ų11268.3 Ų68.352%0.52332%0.324SS..SBendtrans-87157.3177.2-58.9-175.7-172.700112.2D105 I111D105-E108 HydrophobicContact CB-CG 4.14Å; D105-E108 WeakPolarHBondContact O-CB 3.49Å; D105-E108 PolarHBondContact O-N 3.22Å; E108-I111 HydrophobicContact CB-CG2 4.44Å
109E78.7Confident94.3Very high116 Ų11661.9 Ų61.954%0.54230%0.3SS..SBendtrans-88-26.8-171.3-58.8-143.9119.600115.3K161E109-K161 VanDerWaalsContact CD-NZ 3.26Å; E109-K161 IonicContact OE1-NZ 3.09Å; E109-K161 PolarHBondContact OE1-NZ 3.03Å
110N83.9Confident94.1Very high138 Ų13866.4 Ų66.474%0.73832%0.317SS*.SBendtrans-103.3-0.5-160.1-66.2-28.3000115.2F112N110-F112 VanDerWaalsContact C-N 3.33Å; N110-F112 PolarHBondContact O-N 2.83Å
111I93.1Very high94Very high18 Ų1870.3 Ų70.39%0.09234%0.341CS..THydrogen-bonded Turntrans-73.2-18.5-173.157.9155.2000114.8A104 D105 F106 E108 R113 E114 I115A104-I111 HydrophobicContact CB-CD1 3.87Å; D105-I111 WeakPolarHBondContact O-CD1 3.41Å; F106-I111 HydrophobicContact CD1-CD1 3.47Å; F106-I111 VanDerWaalsContact CD1-CD1 3.47Å; F106-I111 HydrophobicContact CE1-CD1 3.8Å; F106-I111 HydrophobicContact CG-CD1 4.09Å; E108-I111 HydrophobicContact CB-CG2 4.44Å; I111-R113 PolarHBondContact O-N 2.83Å; I111-E114 PolarHBondContact O-N 2.92Å; I111-I115 HydrophobicContact CD1-CD1 3.89Å; I111-I115 HydrophobicContact CG1-CD1 4.35Å; I111-I115 WeakPolarHBondContact O-CG1 3.45Å; I111-I115 PolarHBondContact O-N 2.75Å; I111-I115 VanDerWaalsContact O-N 3.14Å
112F95.6Very high94Very high14 Ų1470.1 Ų70.16%0.06134%0.338CS..Hα-helixtrans-71.5-28.1-167.7-63.9-73.8000114F106 N110 I115 E116 T162 K165 I169F106-F112 HydrophobicContact CD1-CE1 4.03Å; F106-F112 HydrophobicContact CD1-CZ 4.24Å; F106-F112 HydrophobicContact CE1-CE1 4.17Å; N110-F112 VanDerWaalsContact C-N 3.33Å; N110-F112 PolarHBondContact O-N 2.83Å; F112-I115 HydrophobicContact CD1-CD1 4.46Å; F112-E116 WeakPolarHBondContact O-CB 3.49Å; F112-E116 PolarHBondContact O-N 3.44Å; F112-T162 HydrophobicContact CE1-CG2 4.23Å; F112-T162 HydrophobicContact CZ-CG2 4.48Å; F112-K165 HydrophobicContact CD1-CB 3.41Å; F112-K165 VanDerWaalsContact CD1-CB 3.41Å; F112-K165 HydrophobicContact CD1-CG 4.05Å; F112-K165 HydrophobicContact CD2-CB 4.26Å; F112-K165 HydrophobicContact CD2-CD 4.37Å; F112-K165 HydrophobicContact CD2-CG 3.96Å; F112-K165 HydrophobicContact CE1-CB 3.49Å; F112-K165 VanDerWaalsContact CE1-CB 3.49Å; F112-K165 HydrophobicContact CE1-CG 4.07Å; F112-K165 HydrophobicContact CE2-CB 4.33Å; F112-K165 HydrophobicContact CE2-CG 3.99Å; F112-K165 HydrophobicContact CG-CB 3.82Å; F112-K165 HydrophobicContact CG-CD 4.35Å; F112-K165 HydrophobicContact CG-CG 3.99Å; F112-K165 HydrophobicContact CZ-CB 3.97Å; F112-K165 HydrophobicContact CZ-CG 4.04Å; F112-I169 HydrophobicContact CB-CD1 4.34Å; F112-I169 HydrophobicContact CD1-CD1 4.46Å
113R94.6Very high94Very high193 Ų19372.6 Ų72.673%0.72835%0.351SS*.Hα-helixtrans-67.2-43.1176.4-177.5-178.2177.2-175.9-1.1111I111 E116 E117I111-R113 PolarHBondContact O-N 2.83Å; R113-E116 PolarHBondContact O-N 2.95Å; R113-E117 WeakPolarHBondContact O-CG 3.35Å; R113-E117 PolarHBondContact O-N 2.82Å; R113-E117 VanDerWaalsContact O-N 3.08Å
114E95.4Very high94Very high136 Ų13669.5 Ų69.564%0.63633%0.332SS*.Hα-helixtrans-65.6-42.5177.2-65.8171.3-170.700110.6I111 E116 E117 E118I111-E114 PolarHBondContact O-N 2.92Å; E114-E116 VanDerWaalsContact C-N 3.34Å; E114-E116 PolarHBondContact O-N 2.75Å; E114-E117 PolarHBondContact O-N 2.76Å; E114-E118 WeakPolarHBondContact O-CB 3.21Å; E114-E118 WeakPolarHBondContact O-CG 3.39Å; E114-E118 PolarHBondContact O-N 2.77Å
115I97.6Very high94.2Very high3 Ų369.4 Ų69.42%0.01533%0.331CS..Hα-helixtrans-58.3-45.7173.9-68.6169.7000111.4M77 I102 A104 F106 I111 F112 E118 L119 M166 I169M77-I115 HydrophobicContact CE-CG2 3.77Å; I102-I115 HydrophobicContact CG2-CG1 4.18Å; A104-I115 HydrophobicContact CB-CD1 4.02Å; F106-I115 HydrophobicContact CE1-CD1 3.74Å; F106-I115 HydrophobicContact CZ-CD1 4.14Å; I111-I115 HydrophobicContact CD1-CD1 3.89Å; I111-I115 HydrophobicContact CG1-CD1 4.35Å; I111-I115 WeakPolarHBondContact O-CG1 3.45Å; I111-I115 PolarHBondContact O-N 2.75Å; I111-I115 VanDerWaalsContact O-N 3.14Å; F112-I115 HydrophobicContact CD1-CD1 4.46Å; I115-E118 PolarHBondContact O-N 2.85Å; I115-L119 HydrophobicContact CG2-CD1 3.72Å; I115-L119 HydrophobicContact CG2-CG 4.26Å; I115-L119 WeakPolarHBondContact O-CB 3.5Å; I115-L119 WeakPolarHBondContact O-CG 3.48Å; I115-L119 PolarHBondContact O-N 3.39Å; I115-L119 VanDerWaalsContact O-N 3.12Å; I115-M166 HydrophobicContact CG2-CE 4.04Å; I115-M166 HydrophobicContact CG2-SD 3.98Å; I115-I169 HydrophobicContact CG2-CD1 4.25Å
116E97.5Very high94.4Very high90 Ų9067.5 Ų67.542%0.42132%0.321SS..Hα-helixtrans-59.4-47.2178.6-176.3167.9-160.300111.5F112 R113 E114 E118 L119 K120 I169F112-E116 WeakPolarHBondContact O-CB 3.49Å; F112-E116 PolarHBondContact O-N 3.44Å; R113-E116 PolarHBondContact O-N 2.95Å; E114-E116 VanDerWaalsContact C-N 3.34Å; E114-E116 PolarHBondContact O-N 2.75Å; E116-E118 VanDerWaalsContact C-N 3.32Å; E116-E118 PolarHBondContact O-N 2.84Å; E116-L119 PolarHBondContact O-N 3.2Å; E116-K120 PolarHBondContact O-N 3.4Å; E116-I169 HydrophobicContact CB-CD1 4.19Å; E116-I169 HydrophobicContact CB-CG1 4.12Å; E116-I169 HydrophobicContact CB-CG2 4.16Å; E116-I169 HydrophobicContact CG-CG1 4.35Å; E116-I169 HydrophobicContact CG-CG2 4.18Å
117E97.3Very high94.6Very high100 Ų10067.3 Ų67.347%0.46732%0.32SS..Hα-helixtrans-61.5-38.7176.2-71.9-62.115100112.8R113 E114 L119 K120R113-E117 WeakPolarHBondContact O-CG 3.35Å; R113-E117 PolarHBondContact O-N 2.82Å; R113-E117 VanDerWaalsContact O-N 3.08Å; E114-E117 PolarHBondContact O-N 2.76Å; E117-L119 VanDerWaalsContact C-N 3.26Å; E117-L119 PolarHBondContact O-N 3.12Å; E117-K120 WeakPolarHBondContact O-CG 3.3Å; E117-K120 WeakPolarHBondContact OE2-CD 3.3Å; E117-K120 IonicContact OE2-NZ 3.66Å; E117-K120 PolarHBondContact OE2-NZ 2.73Å
118E97.9Very high95.1Very high80 Ų8065.8 Ų65.837%0.37431%0.309SS..Hα-helixtrans-70.8-20.6179-79.4-143.2-122.800114.2K100 I102 E114 I115 E116K100-E118 WeakPolarHBondContact CE-O 3.42Å; K100-E118 WeakPolarHBondContact CE-OE2 3.41Å; K100-E118 PolarHBondContact NZ-O 3.05Å; K100-E118 IonicContact NZ-OE2 3.92Å; K100-E118 PolarHBondContact NZ-OE2 3.47Å; I102-E118 HydrophobicContact CD1-CB 3.76Å; I102-E118 HydrophobicContact CG1-CB 4.46Å; E114-E118 WeakPolarHBondContact O-CB 3.21Å; E114-E118 WeakPolarHBondContact O-CG 3.39Å; E114-E118 PolarHBondContact O-N 2.77Å; I115-E118 PolarHBondContact O-N 2.85Å; E116-E118 VanDerWaalsContact C-N 3.32Å; E116-E118 PolarHBondContact O-N 2.84Å
119L98.4Very high95.7Very high4 Ų460.8 Ų60.82%0.02129%0.286CS..Hα-helixtrans-103.8-16.2-176.2-68.9-176.9000114V51 V75 M77 I102 I115 E116 E117 D121 L122 I124 M166 I169 I170V51-L119 HydrophobicContact CG2-CD1 4.35Å; V51-L119 HydrophobicContact CG2-CD2 4Å; V75-L119 HydrophobicContact CB-CD2 4.44Å; V75-L119 HydrophobicContact CG1-CD2 4.07Å; V75-L119 HydrophobicContact CG2-CD2 4.07Å; M77-L119 HydrophobicContact CE-CD1 3.93Å; M77-L119 HydrophobicContact CE-CD2 4.16Å; M77-L119 HydrophobicContact CE-CG 4.34Å; I102-L119 HydrophobicContact CD1-CD2 3.98Å; I102-L119 HydrophobicContact CD1-CG 4.38Å; I115-L119 HydrophobicContact CG2-CD1 3.72Å; I115-L119 HydrophobicContact CG2-CG 4.26Å; I115-L119 WeakPolarHBondContact O-CB 3.5Å; I115-L119 WeakPolarHBondContact O-CG 3.48Å; I115-L119 PolarHBondContact O-N 3.39Å; I115-L119 VanDerWaalsContact O-N 3.12Å; E116-L119 PolarHBondContact O-N 3.2Å; E117-L119 VanDerWaalsContact C-N 3.26Å; E117-L119 PolarHBondContact O-N 3.12Å; L119-D121 VanDerWaalsContact C-N 3.25Å; L119-D121 PolarHBondContact O-N 3Å; L119-D121 VanDerWaalsContact O-N 3.09Å; L119-L122 HydrophobicContact CD2-CD1 3.96Å; L119-L122 WeakPolarHBondContact O-CB 3.47Å; L119-L122 PolarHBondContact O-N 3.47Å; L119-I124 HydrophobicContact CB-CD1 3.99Å; L119-I124 HydrophobicContact CD1-CD1 4.16Å; L119-I124 HydrophobicContact CD2-CD1 4.12Å; L119-I124 HydrophobicContact CG-CD1 4.32Å; L119-M166 HydrophobicContact CD1-CE 4.18Å; L119-I169 HydrophobicContact CD1-CG2 4.2Å; L119-I170 HydrophobicContact CD1-CD1 4.24Å; L119-I170 HydrophobicContact CD1-CG1 4.39Å
120K95.6Very high96.6Very high132 Ų13256.4 Ų56.457%0.57427%0.267SS*.THydrogen-bonded Turntrans-54.1-34.5-167.371.2-171.8173.3-1740115.4E116 E117E116-K120 PolarHBondContact O-N 3.4Å; E117-K120 WeakPolarHBondContact O-CG 3.3Å; E117-K120 WeakPolarHBondContact OE2-CD 3.3Å; E117-K120 IonicContact OE2-NZ 3.66Å; E117-K120 PolarHBondContact OE2-NZ 2.73Å
121D95.4Very high97.1Very high140 Ų14051.1 Ų51.175%0.74924%0.239SC*.THydrogen-bonded Turntrans-93.52.2-176.6-59.1-49.9000113L119L119-D121 VanDerWaalsContact C-N 3.25Å; L119-D121 PolarHBondContact O-N 3Å; L119-D121 VanDerWaalsContact O-N 3.09Å
122L98.3Very high97.1Very high40 Ų4051 Ų5121%0.20924%0.243CC..SBendtrans-94129.7-177.4-56.6-175.1000111.4W49 V75 K100 L119 I124W49-L122 HydrophobicContact CD2-CD1 4.23Å; W49-L122 HydrophobicContact CD2-CD2 4.35Å; W49-L122 HydrophobicContact CE3-CD1 4.48Å; W49-L122 HydrophobicContact CG-CB 4.25Å; W49-L122 HydrophobicContact CG-CD1 4.36Å; W49-L122 HydrophobicContact CG-CD2 4.49Å; W49-L122 HydrophobicContact CZ2-CD2 4.35Å; V75-L122 HydrophobicContact CG2-CD1 3.69Å; K100-L122 HydrophobicContact CD-CD1 4.24Å; L119-L122 HydrophobicContact CD2-CD1 3.96Å; L119-L122 WeakPolarHBondContact O-CB 3.47Å; L119-L122 PolarHBondContact O-N 3.47Å; L122-I124 VanDerWaalsContact C-N 3.29Å; L122-I124 HydrophobicContact CB-CD1 4.28Å; L122-I124 HydrophobicContact CB-CG1 3.88Å; L122-I124 PolarHBondContact O-N 3.46Å
123N98.1Very high97Very high54 Ų5451.4 Ų51.429%0.28925%0.246SC..  trans-74.581.6168.4-177.211000110.6E48 W49 G125 R177E48-N123 HydrophobicContact CB-CB 4.43Å; E48-N123 HydrophobicContact CG-CB 4.47Å; E48-N123 PolarHBondContact N-O 3.14Å; W49-N123 PolarHBondContact N-O 3.44Å; N123-G125 PolarHBondContact O-N 2.98Å; N123-R177 PolarHBondContact OD1-NE 3.12Å; N123-R177 PolarHBondContact OD1-NH2 3.23Å
124I98.8Very high96.8Very high11 Ų1143.7 Ų43.76%0.05622%0.219CC..EExtended strand (participates in β ladder)trans-81.8113.8-176.5-61160.8000110.3W49 V51 L119 L122 V126 I170 M174 R177W49-I124 HydrophobicContact CB-CG1 4.28Å; W49-I124 CarbonylContact O-C 3.55Å; W49-I124 WeakPolarHBondContact O-CA 3.43Å; V51-I124 HydrophobicContact CG2-CD1 3.74Å; V51-I124 HydrophobicContact CG2-CG1 3.93Å; V51-I124 HydrophobicContact CG2-CG2 3.82Å; L119-I124 HydrophobicContact CB-CD1 3.99Å; L119-I124 HydrophobicContact CD1-CD1 4.16Å; L119-I124 HydrophobicContact CD2-CD1 4.12Å; L119-I124 HydrophobicContact CG-CD1 4.32Å; L122-I124 VanDerWaalsContact C-N 3.29Å; L122-I124 HydrophobicContact CB-CD1 4.28Å; L122-I124 HydrophobicContact CB-CG1 3.88Å; L122-I124 PolarHBondContact O-N 3.46Å; I124-V126 WeakPolarHBondContact CG2-O 3.4Å; I124-I170 HydrophobicContact CB-CG2 4.29Å; I124-I170 HydrophobicContact CD1-CD1 4.32Å; I124-I170 HydrophobicContact CD1-CG1 4.05Å; I124-I170 HydrophobicContact CG2-CD1 4.37Å; I124-I170 HydrophobicContact CG2-CG2 3.74Å; I124-M174 HydrophobicContact CG2-CE 4.28Å; I124-R177 PolarHBondContact O-NH2 2.85Å
125G98.6Very high96.4Very high0 Ų038.5 Ų38.50%020%0.197CC..EExtended strand (participates in β ladder)trans-97.4-22.4177.700000114.3M46 W49 N123 G180 V181M46-G125 VanDerWaalsContact C-CA 3.45Å; M46-G125 VanDerWaalsContact O-CA 3.28Å; M46-G125 WeakPolarHBondContact O-CA 3.33Å; W49-G125 PolarHBondContact O-N 3.17Å; N123-G125 PolarHBondContact O-N 2.98Å; G125-G180 WeakPolarHBondContact O-CA 3.43Å; G125-V181 PolarHBondContact O-N 3.31Å
126V98.9Very high95.8Very high0 Ų039.9 Ų39.90%021%0.206CC..EExtended strand (participates in β ladder)trans-135.3132.7-178.6-174.30000110.5F43 W49 A50 V51 L67 M72 I124 V128 V181F43-V126 HydrophobicContact CD1-CG2 3.93Å; W49-V126 PolarHBondContact O-N 3.3Å; A50-V126 CarbonylContact C-O 3.53Å; A50-V126 VanDerWaalsContact CA-O 3.25Å; A50-V126 WeakPolarHBondContact CA-O 3.36Å; A50-V126 HydrophobicContact CB-CB 3.82Å; A50-V126 HydrophobicContact CB-CG1 4.45Å; V51-V126 PolarHBondContact N-O 3.21Å; L67-V126 HydrophobicContact CD1-CG1 4.03Å; L67-V126 HydrophobicContact CD2-CG1 4.38Å; M72-V126 HydrophobicContact SD-CG2 3.88Å; I124-V126 WeakPolarHBondContact CG2-O 3.4Å; V126-V128 HydrophobicContact CG1-CG2 4.12Å; V126-V181 CarbonylContact C-O 3.54Å; V126-V181 VanDerWaalsContact CA-O 3.24Å; V126-V181 WeakPolarHBondContact CA-O 3.46Å; V126-V181 HydrophobicContact CG1-CB 4.4Å; V126-V181 HydrophobicContact CG2-CB 4.31Å
127L98.9Very high94.9Very high0 Ų040 Ų400%021%0.205CC..EExtended strand (participates in β ladder)trans-116.8127.4166.8170.258.4000109V51 N129 M166 I170 M174 V181 I182 I183V51-L127 HydrophobicContact CB-CD1 4.11Å; V51-L127 HydrophobicContact CG1-CD1 4.05Å; V51-L127 CarbonylContact O-C 3.32Å; V51-L127 WeakPolarHBondContact O-CA 3.48Å; L127-N129 WeakPolarHBondContact CD2-ND2 3.45Å; L127-M166 HydrophobicContact CD1-CB 4.35Å; L127-M166 HydrophobicContact CD1-CE 4.33Å; L127-M166 HydrophobicContact CD2-CB 4.08Å; L127-I170 HydrophobicContact CB-CD1 4.16Å; L127-I170 HydrophobicContact CB-CG2 4.35Å; L127-I170 HydrophobicContact CD1-CD1 3.65Å; L127-I170 HydrophobicContact CD2-CB 4.3Å; L127-I170 HydrophobicContact CD2-CD1 3.89Å; L127-I170 HydrophobicContact CG-CD1 4.09Å; L127-M174 HydrophobicContact CB-CE 4.42Å; L127-V181 PolarHBondContact N-O 3.35Å; L127-I182 HydrophobicContact CB-CG1 4.31Å; L127-I182 HydrophobicContact CD2-CG2 4.24Å; L127-I182 HydrophobicContact CG-CG2 4.46Å; L127-I182 CarbonylContact O-C 3.58Å; L127-I182 WeakPolarHBondContact O-CA 3.49Å; L127-I183 PolarHBondContact O-N 3.43Å
128V98.9Very high94Very high0 Ų037.5 Ų37.50%020%0.197CC..EExtended strand (participates in β ladder)trans-112.9100.1170.2-173.60000108.9V51 V52 T53 Y63 L67 V126 N130 I183 V185V51-V128 PolarHBondContact O-N 3.11Å; V52-V128 HydrophobicContact CB-CB 4.39Å; V52-V128 HydrophobicContact CG1-CB 4.07Å; V52-V128 HydrophobicContact CG1-CG1 4.3Å; V52-V128 HydrophobicContact CG2-CB 4.15Å; V52-V128 HydrophobicContact CG2-CG2 4.13Å; T53-V128 PolarHBondContact N-O 3.19Å; T53-V128 PolarHBondContact OG1-O 3.01Å; Y63-V128 HydrophobicContact CD1-CG1 4.38Å; Y63-V128 HydrophobicContact CD1-CG2 4.19Å; Y63-V128 HydrophobicContact CD2-CG1 3.78Å; Y63-V128 HydrophobicContact CE2-CG1 4.22Å; Y63-V128 HydrophobicContact CG-CG1 3.88Å; Y63-V128 HydrophobicContact CG-CG2 4.3Å; L67-V128 HydrophobicContact CD1-CG2 3.86Å; V126-V128 HydrophobicContact CG1-CG2 4.12Å; V128-N130 HydrophobicContact CG1-CB 3.98Å; V128-N130 PolarHBondContact O-N 3.18Å; V128-N130 VanDerWaalsContact O-N 3.13Å; V128-I183 CarbonylContact C-O 3.45Å; V128-I183 WeakPolarHBondContact CA-O 3.47Å; V128-I183 HydrophobicContact CG1-CB 4.43Å; V128-I183 HydrophobicContact CG1-CG2 4.45Å; V128-I183 HydrophobicContact CG2-CB 4.32Å; V128-I183 HydrophobicContact CG2-CD1 4.4Å; V128-V185 HydrophobicContact CG1-CG2 4.31Å
129N98.6Very high93.2Very high7 Ų734.8 Ų34.84%0.03719%0.186CC..EExtended strand (participates in β ladder)trans-79.986.5170.6-74.8-46.1000109.4T53 L127 L163 M166 I183 N184 V185T53-N129 WeakPolarHBondContact OG1-CA 2.92Å; L127-N129 WeakPolarHBondContact CD2-ND2 3.45Å; N129-L163 HydrophobicContact CB-CB 4.39Å; N129-L163 HydrophobicContact CB-CD1 4Å; N129-L163 HydrophobicContact CB-CG 4.2Å; N129-M166 VanDerWaalsContact OD1-CB 3.26Å; N129-M166 WeakPolarHBondContact OD1-CB 3.43Å; N129-I183 PolarHBondContact N-O 2.96Å; N129-N184 WeakPolarHBondContact CB-OD1 3.04Å; N129-N184 PolarHBondContact ND2-OD1 3.42Å; N129-V185 PolarHBondContact O-N 3.3Å
130N98.2Very high92.4Very high25 Ų2536.1 Ų36.113%0.13420%0.195CC..  trans-107.6-22.8-177.5159.889.7000113.6T53 G54 I59 G60 V128 G132 V185T53-N130 VanDerWaalsContact O-CB 3.29Å; T53-N130 WeakPolarHBondContact O-CB 3.45Å; T53-N130 PolarHBondContact O-ND2 2.83Å; T53-N130 PolarHBondContact OG1-N 3.13Å; G54-N130 PolarHBondContact O-ND2 2.94Å; I59-N130 WeakPolarHBondContact CB-OD1 3.36Å; I59-N130 WeakPolarHBondContact CG2-OD1 3.46Å; G60-N130 VanDerWaalsContact CA-ND2 3.27Å; G60-N130 WeakPolarHBondContact CA-ND2 3.27Å; G60-N130 PolarHBondContact N-ND2 3.03Å; G60-N130 PolarHBondContact N-OD1 2.89Å; V128-N130 HydrophobicContact CG1-CB 3.98Å; V128-N130 PolarHBondContact O-N 3.18Å; V128-N130 VanDerWaalsContact O-N 3.13Å; N130-G132 PolarHBondContact O-N 2.85Å; N130-V185 HydrophobicContact CB-CB 4.31Å; N130-V185 HydrophobicContact CB-CG2 3.75Å
131V94.1Very high92Very high26 Ų2635.6 Ų35.616%0.15819%0.193CC..  trans-54.2138.8-178.165.60000111.4T53 F106 T162T53-V131 PolarHBondContact O-N 2.85Å; T53-V131 PolarHBondContact OG1-N 2.82Å; T53-V131 VanDerWaalsContact OG1-N 3.15Å; F106-V131 HydrophobicContact CB-CG1 4.47Å; F106-V131 HydrophobicContact CB-CG2 4.23Å; F106-V131 HydrophobicContact CD2-CB 4.2Å; F106-V131 HydrophobicContact CD2-CG1 4.08Å; F106-V131 HydrophobicContact CD2-CG2 3.81Å; F106-V131 HydrophobicContact CG-CG1 4.2Å; F106-V131 HydrophobicContact CG-CG2 4.32Å; V131-T162 HydrophobicContact CG1-CG2 3.53Å
132G92.6Very high91.7Very high16 Ų1633.7 Ų33.717%0.16518%0.178CC..  trans-173.5163.1174.300000111.7N130 N159 M237N130-G132 PolarHBondContact O-N 2.85Å; G132-N159 WeakPolarHBondContact CA-OD1 3.29Å; G132-M237 WeakPolarHBondContact O-CE 3.41Å
133V93Very high91.4Very high22 Ų2238.5 Ų38.513%0.13320%0.204CC..  trans-136148.5-179.7-60.80000109.6K154 V155 C158 N159 Y200V133-K154 HydrophobicContact CG2-CG 4.23Å; V133-V155 HydrophobicContact CG2-CG2 4.09Å; V133-C158 HydrophobicContact CG1-CB 4.2Å; V133-C158 HydrophobicContact CG2-CB 3.83Å; V133-N159 PolarHBondContact N-OD1 2.96Å; V133-N159 PolarHBondContact O-ND2 2.86Å; V133-N159 PolarHBondContact O-OD1 3.26Å; V133-Y200 WeakPolarHBondContact O-CD2 3.32Å
134L90Very high91Very high32 Ų3240.8 Ų40.817%0.16822%0.216CC..  trans-82.3146.1164.2-64.2170.5000108.5T136 Y197 Y200 M237L134-T136 WeakPolarHBondContact CB-O 3.47Å; L134-T136 PolarHBondContact O-N 3.18Å; L134-Y197 HydrophobicContact CD2-CE1 4.41Å; L134-Y197 HydrophobicContact CD2-CE2 4.47Å; L134-Y200 HydrophobicContact CD2-CD1 3.95Å; L134-Y200 HydrophobicContact CD2-CD2 3.7Å; L134-Y200 HydrophobicContact CD2-CE1 4.08Å; L134-Y200 HydrophobicContact CD2-CE2 3.84Å; L134-Y200 HydrophobicContact CD2-CG 3.75Å; L134-M237 HydrophobicContact CD1-CG 3.59Å; L134-M237 HydrophobicContact CD1-SD 4.49Å; L134-M237 HydrophobicContact CD2-CG 4.49Å; L134-M237 HydrophobicContact CD2-SD 4.38Å; L134-M237 HydrophobicContact CG-CG 3.71Å; L134-M237 HydrophobicContact CG-SD 4.03Å
135P88.6Confident90.4Very high26 Ų2640.9 Ų40.917%0.16922%0.217CC..SBendtrans-58.1-44172.722.6-32.4000110.5T151 V155 Y197 L199P135-T151 HydrophobicContact CB-CG2 3.54Å; P135-V155 HydrophobicContact CB-CG2 4Å; P135-Y197 HydrophobicContact CG-CD1 4.16Å; P135-L199 HydrophobicContact CB-CD2 4.31Å
136T83.6Confident89.8Confident33 Ų3349 Ų4920%0.20226%0.255CS..  trans-139.2150.1176.756.30000109.3L134 V138 Y197L134-T136 WeakPolarHBondContact CB-O 3.47Å; L134-T136 PolarHBondContact O-N 3.18Å; T136-V138 VanDerWaalsContact C-N 3.3Å; T136-V138 VanDerWaalsContact CB-O 3.32Å; T136-V138 WeakPolarHBondContact CB-O 3.36Å; T136-V138 PolarHBondContact OG1-O 3.4Å; T136-Y197 WeakPolarHBondContact O-CE1 3.4Å; T136-Y197 PolarHBondContact O-OH 2.81Å
137F78.4Confident89.5Confident91 Ų9155 Ų5540%0.39928%0.283SS..SBendtrans-68.4-35.6172.7-177.2-94.5000111.3Y197 R308F137-Y197 PolarHBondContact O-OH 2.9Å; F137-R308 VanDerWaalsContact CD1-NH1 3.25Å
138V79.8Confident89.2Confident49 Ų4956.7 Ų56.730%0.29729%0.292SS..SBendtrans-101.4116.7178.8178.10000107.8T136 C140 V301 T305T136-V138 VanDerWaalsContact C-N 3.3Å; T136-V138 VanDerWaalsContact CB-O 3.32Å; T136-V138 WeakPolarHBondContact CB-O 3.36Å; T136-V138 PolarHBondContact OG1-O 3.4Å; V138-C140 PolarHBondContact O-N 3.29Å; V138-V301 HydrophobicContact CB-CG1 4.32Å; V138-V301 HydrophobicContact CG1-CG1 3.18Å; V138-T305 WeakPolarHBondContact CG1-OG1 3.36Å; V138-T305 HydrophobicContact CG2-CG2 3.81Å
139P80.3Confident89Confident22 Ų2262.8 Ų62.814%0.14333%0.325CS..  trans-55.1131.3176.4-18.123.2000111.8L196 Y197 V301P139-L196 HydrophobicContact CB-CB 3.52Å; P139-L196 HydrophobicContact CB-CD1 4.28Å; P139-Y197 HydrophobicContact CB-CD1 4.28Å; P139-Y197 HydrophobicContact CB-CD2 4.44Å; P139-Y197 HydrophobicContact CB-CE1 4.07Å; P139-Y197 HydrophobicContact CB-CE2 4.28Å; P139-Y197 HydrophobicContact CB-CG 4.46Å; P139-Y197 WeakPolarHBondContact CD-OH 3.47Å; P139-Y197 HydrophobicContact CG-CD2 4.15Å; P139-Y197 HydrophobicContact CG-CE1 3.95Å; P139-Y197 HydrophobicContact CG-CE2 3.58Å; P139-Y197 VanDerWaalsContact CG-CZ 3.45Å; P139-V301 HydrophobicContact CB-CG2 3.96Å; P139-V301 HydrophobicContact CG-CG1 4.38Å; P139-V301 HydrophobicContact CG-CG2 3.41Å; P139-V301 VanDerWaalsContact CG-CG2 3.41Å
140C81.8Confident88.8Confident32 Ų3268.7 Ų68.722%0.21635%0.35CS..  trans-141168.6178.763.20000110.2V138 D144 L196V138-C140 PolarHBondContact O-N 3.29Å; C140-D144 HydrophobicContact CB-CB 4.08Å; C140-L196 PolarHBondContact N-O 2.98Å; C140-L196 CarbonylContact O-C 3.58Å; C140-L196 WeakPolarHBondContact O-CA 3.46Å; C140-L196 VanDerWaalsContact O-O 3.08Å
141K86.7Confident88.6Confident122 Ų12268.4 Ų68.453%0.5335%0.349SS..  trans-65.2155172.5-57.2176.2177.4174.40108.8L143 D144 L196K141-L143 VanDerWaalsContact C-N 3.28Å; K141-L143 PolarHBondContact O-N 3.02Å; K141-D144 HydrophobicContact CB-CB 4.41Å; K141-D144 VanDerWaalsContact CB-OD2 3.24Å; K141-D144 WeakPolarHBondContact CB-OD2 3.27Å; K141-D144 WeakPolarHBondContact CG-OD2 3.2Å; K141-D144 WeakPolarHBondContact O-CB 3.45Å; K141-D144 PolarHBondContact O-N 3.25Å; K141-L196 HydrophobicContact CG-CD2 4.04Å
142F89.6Confident88.7Confident99 Ų9969.6 Ų69.643%0.43435%0.354SS..G310 helixtrans-53.3-43.9-175.2177.1-110.3000113.4D144 L148 I152F142-D144 VanDerWaalsContact C-N 3.3Å; F142-D144 PolarHBondContact O-N 3.42Å; F142-L148 HydrophobicContact CD1-CD2 4.32Å; F142-L148 HydrophobicContact CD2-CD1 4.11Å; F142-L148 HydrophobicContact CE1-CD2 3.88Å; F142-L148 HydrophobicContact CE2-CD1 3.72Å; F142-L148 HydrophobicContact CZ-CD1 3.95Å; F142-L148 HydrophobicContact CZ-CD2 4Å; F142-L148 HydrophobicContact CZ-CG 4.37Å; F142-L148 WeakPolarHBondContact O-CD1 3.37Å; F142-I152 HydrophobicContact CE2-CD1 4.31Å; F142-I152 HydrophobicContact CE2-CG1 4.36Å; F142-I152 HydrophobicContact CZ-CD1 3.91Å; F142-I152 HydrophobicContact CZ-CG1 4.44Å
143L92.5Very high88.8Confident142 Ų14272.5 Ų72.574%0.74337%0.369SS*.G310 helixtrans-78.1-12.1179.5-59.9179.6000113.9K141 S145 L148K141-L143 VanDerWaalsContact C-N 3.28Å; K141-L143 PolarHBondContact O-N 3.02Å; L143-S145 VanDerWaalsContact C-N 3.28Å; L143-L148 HydrophobicContact CD2-CD2 4.12Å
144D88.3Confident88.9Confident101 Ų10175.7 Ų75.754%0.5438%0.381SS..G310 helixtrans-87.4-1.2178.4-55.5-16.3000111.5C140 K141 F142 E146C140-D144 HydrophobicContact CB-CB 4.08Å; K141-D144 HydrophobicContact CB-CB 4.41Å; K141-D144 VanDerWaalsContact CB-OD2 3.24Å; K141-D144 WeakPolarHBondContact CB-OD2 3.27Å; K141-D144 WeakPolarHBondContact CG-OD2 3.2Å; K141-D144 WeakPolarHBondContact O-CB 3.45Å; K141-D144 PolarHBondContact O-N 3.25Å; F142-D144 VanDerWaalsContact C-N 3.3Å; F142-D144 PolarHBondContact O-N 3.42Å; D144-E146 PolarHBondContact O-N 3.39Å
145S87.3Confident89.2Confident14 Ų1474.2 Ų74.210%0.09837%0.373CS..SBendtrans-72.7124.7175-175.20000110.1L143L143-S145 VanDerWaalsContact C-N 3.28Å
146E86.1Confident89.6Confident169 Ų16976.3 Ų76.379%0.7938%0.382SS*.THydrogen-bonded Turntrans-60.3144169-64.9178.9-175.500110.7D144 L148 T151D144-E146 PolarHBondContact O-N 3.39Å; E146-L148 VanDerWaalsContact C-N 3.27Å; E146-L148 PolarHBondContact O-N 3.45Å; E146-T151 PolarHBondContact O-OG1 3.38Å
147E91.3Very high90.1Very high126 Ų12675.2 Ų75.259%0.58938%0.375SS*.THydrogen-bonded Turntrans46.148.6-179.2-53.6-165.4120.800113.1D149 K150 T151E147-D149 VanDerWaalsContact C-N 3.29Å; E147-D149 PolarHBondContact O-N 3.38Å; E147-D149 VanDerWaalsContact O-N 3.12Å; E147-K150 HydrophobicContact CB-CB 4.17Å; E147-K150 HydrophobicContact CB-CD 4.15Å; E147-K150 HydrophobicContact CB-CG 4.39Å; E147-K150 WeakPolarHBondContact O-CB 3.49Å; E147-K150 PolarHBondContact O-N 2.89Å; E147-K150 IonicContact OE1-NZ 3.51Å; E147-K150 PolarHBondContact OE1-NZ 2.93Å; E147-K150 IonicContact OE2-NZ 2.69Å; E147-T151 PolarHBondContact O-N 2.87Å; E147-T151 PolarHBondContact O-OG1 3.43Å
148L93.6Very high90.9Very high37 Ų3771.2 Ų71.219%0.19436%0.359CS..Hα-helixtrans-48.5-45-169.9178.757.6000113.6F142 L143 E146 K150 T151 I152F142-L148 HydrophobicContact CD1-CD2 4.32Å; F142-L148 HydrophobicContact CD2-CD1 4.11Å; F142-L148 HydrophobicContact CE1-CD2 3.88Å; F142-L148 HydrophobicContact CE2-CD1 3.72Å; F142-L148 HydrophobicContact CZ-CD1 3.95Å; F142-L148 HydrophobicContact CZ-CD2 4Å; F142-L148 HydrophobicContact CZ-CG 4.37Å; F142-L148 WeakPolarHBondContact O-CD1 3.37Å; L143-L148 HydrophobicContact CD2-CD2 4.12Å; E146-L148 VanDerWaalsContact C-N 3.27Å; E146-L148 PolarHBondContact O-N 3.45Å; L148-K150 PolarHBondContact O-N 3.02Å; L148-T151 CarbonylContact O-C 3.59Å; L148-T151 WeakPolarHBondContact O-CB 3.36Å; L148-T151 PolarHBondContact O-N 3.05Å; L148-T151 VanDerWaalsContact O-N 3.15Å; L148-I152 HydrophobicContact CD1-CD1 3.9Å; L148-I152 HydrophobicContact CD1-CG1 3.93Å; L148-I152 HydrophobicContact CG-CD1 3.78Å; L148-I152 HydrophobicContact CG-CG1 4.3Å; L148-I152 VanDerWaalsContact O-CG1 3.27Å; L148-I152 WeakPolarHBondContact O-CG1 3.35Å; L148-I152 PolarHBondContact O-N 3.14Å
149D95.2Very high91.8Very high128 Ų12869 Ų6968%0.68435%0.345SS*.Hα-helixtrans-61.7-41.1179.1-67.3-34.2000113.1E147 T153E147-D149 VanDerWaalsContact C-N 3.29Å; E147-D149 PolarHBondContact O-N 3.38Å; E147-D149 VanDerWaalsContact O-N 3.12Å; D149-T153 WeakPolarHBondContact O-CB 3.33Å; D149-T153 PolarHBondContact O-N 3.37Å; D149-T153 PolarHBondContact O-OG1 2.87Å
150K93.9Very high92.6Very high131 Ų13169 Ų6957%0.5734%0.344SS*.Hα-helixtrans-66.7-41.2174.6-64.8-176.2-173.4168.50110.6E147 L148 T153 K154E147-K150 HydrophobicContact CB-CB 4.17Å; E147-K150 HydrophobicContact CB-CD 4.15Å; E147-K150 HydrophobicContact CB-CG 4.39Å; E147-K150 WeakPolarHBondContact O-CB 3.49Å; E147-K150 PolarHBondContact O-N 2.89Å; E147-K150 IonicContact OE1-NZ 3.51Å; E147-K150 PolarHBondContact OE1-NZ 2.93Å; E147-K150 IonicContact OE2-NZ 2.69Å; L148-K150 PolarHBondContact O-N 3.02Å; K150-T153 PolarHBondContact O-N 3.25Å; K150-K154 WeakPolarHBondContact O-CB 3.33Å; K150-K154 PolarHBondContact O-N 3.12Å
151T94.3Very high93.3Very high19 Ų1969.7 Ų69.712%0.11734%0.344CS..Hα-helixtrans-63.3-43.6177.4-66.80000111.8P135 E146 E147 L148 K154 V155 L199P135-T151 HydrophobicContact CB-CG2 3.54Å; E146-T151 PolarHBondContact O-OG1 3.38Å; E147-T151 PolarHBondContact O-N 2.87Å; E147-T151 PolarHBondContact O-OG1 3.43Å; L148-T151 CarbonylContact O-C 3.59Å; L148-T151 WeakPolarHBondContact O-CB 3.36Å; L148-T151 PolarHBondContact O-N 3.05Å; L148-T151 VanDerWaalsContact O-N 3.15Å; T151-K154 PolarHBondContact O-N 2.98Å; T151-V155 HydrophobicContact CG2-CG2 4.44Å; T151-V155 VanDerWaalsContact O-CG2 3.3Å; T151-V155 WeakPolarHBondContact O-CG2 3.45Å; T151-V155 PolarHBondContact O-N 2.73Å; T151-L199 HydrophobicContact CG2-CD2 4.47Å
152I95.6Very high93.8Very high51 Ų5163.9 Ų63.926%0.26232%0.318SS..Hα-helixtrans-57.1-55.9173.9-70.3165000109.6F142 L148 K154 V155 I156 L199F142-I152 HydrophobicContact CE2-CD1 4.31Å; F142-I152 HydrophobicContact CE2-CG1 4.36Å; F142-I152 HydrophobicContact CZ-CD1 3.91Å; F142-I152 HydrophobicContact CZ-CG1 4.44Å; L148-I152 HydrophobicContact CD1-CD1 3.9Å; L148-I152 HydrophobicContact CD1-CG1 3.93Å; L148-I152 HydrophobicContact CG-CD1 3.78Å; L148-I152 HydrophobicContact CG-CG1 4.3Å; L148-I152 VanDerWaalsContact O-CG1 3.27Å; L148-I152 WeakPolarHBondContact O-CG1 3.35Å; L148-I152 PolarHBondContact O-N 3.14Å; I152-K154 VanDerWaalsContact C-N 3.32Å; I152-K154 PolarHBondContact O-N 3.19Å; I152-V155 PolarHBondContact O-N 3.44Å; I152-I156 HydrophobicContact CG2-CG1 4.36Å; I152-I156 WeakPolarHBondContact O-CB 3.49Å; I152-I156 VanDerWaalsContact O-CG1 3.3Å; I152-I156 WeakPolarHBondContact O-CG1 3.35Å; I152-I156 PolarHBondContact O-N 2.9Å; I152-L199 HydrophobicContact CG1-CD2 4.1Å
153T95.4Very high94.2Very high76 Ų7659.5 Ų59.547%0.46630%0.3SS..Hα-helixtrans-57.1-46.8-178.2-58.50000111.4D149 K150 I156 N157D149-T153 WeakPolarHBondContact O-CB 3.33Å; D149-T153 PolarHBondContact O-N 3.37Å; D149-T153 PolarHBondContact O-OG1 2.87Å; K150-T153 PolarHBondContact O-N 3.25Å; T153-I156 PolarHBondContact O-N 3.37Å; T153-N157 VanDerWaalsContact O-CB 3.28Å; T153-N157 WeakPolarHBondContact O-CB 2.83Å; T153-N157 VanDerWaalsContact O-CG 3.3Å; T153-N157 PolarHBondContact O-N 2.94Å
154K94.9Very high94.4Very high90 Ų9054.5 Ų54.539%0.39128%0.276SS..Hα-helixtrans-61.4-47179.3-179.9-179.2177.1-1780112.7V133 K150 T151 I152 N157 C158V133-K154 HydrophobicContact CG2-CG 4.23Å; K150-K154 WeakPolarHBondContact O-CB 3.33Å; K150-K154 PolarHBondContact O-N 3.12Å; T151-K154 PolarHBondContact O-N 2.98Å; I152-K154 VanDerWaalsContact C-N 3.32Å; I152-K154 PolarHBondContact O-N 3.19Å; K154-N157 PolarHBondContact O-N 2.89Å; K154-C158 WeakPolarHBondContact O-CB 3.5Å; K154-C158 PolarHBondContact O-N 2.96Å
155V95.6Very high94.9Very high1 Ų153.6 Ų53.61%0.00627%0.267CS..Hα-helixtrans-66.5-43179.71740000110.8V133 P135 T151 I152 N159 L199V133-V155 HydrophobicContact CG2-CG2 4.09Å; P135-V155 HydrophobicContact CB-CG2 4Å; T151-V155 HydrophobicContact CG2-CG2 4.44Å; T151-V155 VanDerWaalsContact O-CG2 3.3Å; T151-V155 WeakPolarHBondContact O-CG2 3.45Å; T151-V155 PolarHBondContact O-N 2.73Å; I152-V155 PolarHBondContact O-N 3.44Å; V155-N159 HydrophobicContact CG1-CB 4.47Å; V155-N159 WeakPolarHBondContact O-CB 3.5Å; V155-N159 PolarHBondContact O-N 3.48Å; V155-L199 HydrophobicContact CB-CD2 3.91Å; V155-L199 HydrophobicContact CB-CG 4.11Å; V155-L199 HydrophobicContact CG1-CD1 4.48Å; V155-L199 HydrophobicContact CG1-CD2 4.24Å; V155-L199 HydrophobicContact CG1-CG 3.87Å; V155-L199 HydrophobicContact CG2-CD2 3.96Å; V155-L199 HydrophobicContact CG2-CG 4.41Å
156I96.5Very high95.4Very high69 Ų6952.9 Ų52.935%0.35426%0.263SS..Hα-helixtrans-64.5-44.8177.3-64.1-59.9000110.7I152 T153 V160 K161 L199I152-I156 HydrophobicContact CG2-CG1 4.36Å; I152-I156 WeakPolarHBondContact O-CB 3.49Å; I152-I156 VanDerWaalsContact O-CG1 3.3Å; I152-I156 WeakPolarHBondContact O-CG1 3.35Å; I152-I156 PolarHBondContact O-N 2.9Å; T153-I156 PolarHBondContact O-N 3.37Å; I156-V160 HydrophobicContact CD1-CG2 4.33Å; I156-V160 HydrophobicContact CG2-CB 4.47Å; I156-V160 WeakPolarHBondContact O-CA 3.33Å; I156-V160 VanDerWaalsContact O-CB 3.26Å; I156-V160 WeakPolarHBondContact O-CB 3.37Å; I156-V160 PolarHBondContact O-N 2.99Å; I156-K161 PolarHBondContact O-N 3.31Å; I156-L199 HydrophobicContact CD1-CD1 4.43Å
157N95.9Very high96Very high11 Ų1145 Ų456%0.05923%0.226CC..Iπ-helixtrans-62.5-51.2178.9-77.3-8000112.3F106 S107 T153 K154 K161 T162F106-N157 CarbonylContact O-C 3.54Å; S107-N157 PolarHBondContact O-ND2 3.37Å; T153-N157 VanDerWaalsContact O-CB 3.28Å; T153-N157 WeakPolarHBondContact O-CB 2.83Å; T153-N157 VanDerWaalsContact O-CG 3.3Å; T153-N157 PolarHBondContact O-N 2.94Å; K154-N157 PolarHBondContact O-N 2.89Å; N157-K161 VanDerWaalsContact OD1-CD 3.31Å; N157-K161 WeakPolarHBondContact OD1-CD 3.38Å; N157-T162 WeakPolarHBondContact O-CB 3.46Å; N157-T162 PolarHBondContact O-N 3.41Å; N157-T162 PolarHBondContact O-OG1 2.88Å
158C95.4Very high96.3Very high7 Ų746 Ų465%0.04723%0.228CC..Iπ-helixtrans-70.6-47.6-177.9-740000113.1F106 S107 V133 K154 T162F106-C158 PolarHBondContact O-N 3.48Å; F106-C158 PolarHBondContact O-SG 3.48Å; F106-C158 VanDerWaalsContact O-SG 3.4Å; S107-C158 PolarHBondContact N-SG 3.29Å; S107-C158 VanDerWaalsContact N-SG 3.44Å; V133-C158 HydrophobicContact CG1-CB 4.2Å; V133-C158 HydrophobicContact CG2-CB 3.83Å; K154-C158 WeakPolarHBondContact O-CB 3.5Å; K154-C158 PolarHBondContact O-N 2.96Å; C158-T162 WeakPolarHBondContact O-CB 3.32Å
159N96.7Very high96.6Very high3 Ų345.5 Ų45.52%0.01623%0.226CC..Iπ-helixtrans-89.3-26.1-168.6-61.67000113.1G132 V133 V155 S203 V207G132-N159 WeakPolarHBondContact CA-OD1 3.29Å; V133-N159 PolarHBondContact N-OD1 2.96Å; V133-N159 PolarHBondContact O-ND2 2.86Å; V133-N159 PolarHBondContact O-OD1 3.26Å; V155-N159 HydrophobicContact CG1-CB 4.47Å; V155-N159 WeakPolarHBondContact O-CB 3.5Å; V155-N159 PolarHBondContact O-N 3.48Å; N159-S203 PolarHBondContact ND2-OG 3.26Å; N159-V207 WeakPolarHBondContact O-CG2 3.32Å
160V97.3Very high96.7Very high20 Ų2039.8 Ų39.812%0.12120%0.195CC..Iπ-helixtrans-113.1-66-172.5175.40000110.5I156 T162 L163 C164 F206I156-V160 HydrophobicContact CD1-CG2 4.33Å; I156-V160 HydrophobicContact CG2-CB 4.47Å; I156-V160 WeakPolarHBondContact O-CA 3.33Å; I156-V160 VanDerWaalsContact O-CB 3.26Å; I156-V160 WeakPolarHBondContact O-CB 3.37Å; I156-V160 PolarHBondContact O-N 2.99Å; V160-T162 VanDerWaalsContact C-N 3.32Å; V160-T162 PolarHBondContact O-N 3.05Å; V160-L163 PolarHBondContact O-N 2.94Å; V160-C164 PolarHBondContact O-N 3.48Å; V160-C164 PolarHBondContact O-SG 3.04Å; V160-F206 HydrophobicContact CB-CD1 4.26Å; V160-F206 HydrophobicContact CB-CE1 4.48Å; V160-F206 HydrophobicContact CG1-CD1 3.65Å; V160-F206 HydrophobicContact CG1-CD2 4.11Å; V160-F206 HydrophobicContact CG1-CE1 3.55Å; V160-F206 HydrophobicContact CG1-CE2 3.99Å; V160-F206 HydrophobicContact CG1-CG 3.95Å; V160-F206 HydrophobicContact CG1-CZ 3.72Å; V160-F206 HydrophobicContact CG2-CB 4.34Å; V160-F206 HydrophobicContact CG2-CD1 4.14Å; V160-F206 HydrophobicContact CG2-CG 4.22Å
161K97.1Very high96.9Very high47 Ų4734 Ų3420%0.20417%0.17CC..Iπ-helixtrans-57.9-44.5-173.8-176.4-178.9179178.70111.8E109 I156 N157 L163 C164 K165E109-K161 VanDerWaalsContact CD-NZ 3.26Å; E109-K161 IonicContact OE1-NZ 3.09Å; E109-K161 PolarHBondContact OE1-NZ 3.03Å; I156-K161 PolarHBondContact O-N 3.31Å; N157-K161 VanDerWaalsContact OD1-CD 3.31Å; N157-K161 WeakPolarHBondContact OD1-CD 3.38Å; K161-L163 PolarHBondContact O-N 2.97Å; K161-C164 PolarHBondContact O-N 3.41Å; K161-K165 HydrophobicContact CG-CG 4.2Å; K161-K165 WeakPolarHBondContact O-CB 3.4Å; K161-K165 VanDerWaalsContact O-CG 3.3Å; K161-K165 WeakPolarHBondContact O-CG 3.33Å; K161-K165 PolarHBondContact O-N 2.86Å
162T97.2Very high97.1Very high0 Ų036.6 Ų36.60%019%0.187CC..Hα-helixtrans-58.4-47.4-178.4-65.30000112.4F106 F112 V131 N157 C158 V160 C164 K165 M166F106-T162 HydrophobicContact CB-CG2 4.19Å; F106-T162 WeakPolarHBondContact CB-OG1 3.26Å; F106-T162 HydrophobicContact CD1-CG2 3.23Å; F106-T162 HydrophobicContact CE1-CG2 3.65Å; F106-T162 HydrophobicContact CG-CG2 3.76Å; F106-T162 HydrophobicContact CZ-CG2 4.46Å; F106-T162 PolarHBondContact O-OG1 3.38Å; F112-T162 HydrophobicContact CE1-CG2 4.23Å; F112-T162 HydrophobicContact CZ-CG2 4.48Å; V131-T162 HydrophobicContact CG1-CG2 3.53Å; N157-T162 WeakPolarHBondContact O-CB 3.46Å; N157-T162 PolarHBondContact O-N 3.41Å; N157-T162 PolarHBondContact O-OG1 2.88Å; C158-T162 WeakPolarHBondContact O-CB 3.32Å; V160-T162 VanDerWaalsContact C-N 3.32Å; V160-T162 PolarHBondContact O-N 3.05Å; T162-C164 VanDerWaalsContact C-N 3.34Å; T162-C164 PolarHBondContact O-N 3.4Å; T162-K165 PolarHBondContact O-N 3.49Å; T162-M166 HydrophobicContact CG2-CG 4.14Å; T162-M166 WeakPolarHBondContact O-CB 3.15Å; T162-M166 VanDerWaalsContact O-CG 3.31Å; T162-M166 WeakPolarHBondContact O-CG 3.32Å; T162-M166 PolarHBondContact O-N 2.83Å
163L97.4Very high97.2Very high8 Ų835.5 Ų35.54%0.04219%0.189CC..Hα-helixtrans-58.9-46.8178171.9148.3000111.1N129 V160 K161 K165 M166 C167 N184 V207 F210N129-L163 HydrophobicContact CB-CB 4.39Å; N129-L163 HydrophobicContact CB-CD1 4Å; N129-L163 HydrophobicContact CB-CG 4.2Å; V160-L163 PolarHBondContact O-N 2.94Å; K161-L163 PolarHBondContact O-N 2.97Å; L163-K165 VanDerWaalsContact C-N 3.34Å; L163-K165 PolarHBondContact O-N 2.94Å; L163-M166 PolarHBondContact O-N 2.63Å; L163-C167 WeakPolarHBondContact O-CB 3.36Å; L163-C167 PolarHBondContact O-N 3.25Å; L163-C167 PolarHBondContact O-SG 3.27Å; L163-C167 VanDerWaalsContact O-SG 3.34Å; L163-N184 HydrophobicContact CD1-CB 3.66Å; L163-N184 VanDerWaalsContact CD1-CG 3.43Å; L163-N184 WeakPolarHBondContact CD1-OD1 3.5Å; L163-V207 HydrophobicContact CD1-CB 4.28Å; L163-V207 HydrophobicContact CD1-CG1 3.63Å; L163-V207 HydrophobicContact CD1-CG2 4.01Å; L163-F210 HydrophobicContact CD2-CD1 3.28Å; L163-F210 HydrophobicContact CD2-CE1 3.44Å; L163-F210 VanDerWaalsContact CD2-CE1 3.44Å; L163-F210 HydrophobicContact CD2-CG 4.01Å; L163-F210 HydrophobicContact CD2-CZ 4.3Å
164C98.2Very high97.4Very high37 Ų3732 Ų3225%0.2517%0.167CC..Hα-helixtrans-61.3-43.5178.6-610000111.7V160 K161 T162 C167 K168V160-C164 PolarHBondContact O-N 3.48Å; V160-C164 PolarHBondContact O-SG 3.04Å; K161-C164 PolarHBondContact O-N 3.41Å; T162-C164 VanDerWaalsContact C-N 3.34Å; T162-C164 PolarHBondContact O-N 3.4Å; C164-C167 PolarHBondContact O-N 3.1Å; C164-K168 PolarHBondContact O-N 3.49Å
165K97.9Very high97.5Very high81 Ų8131.6 Ų31.635%0.35217%0.167SC..Hα-helixtrans-67.1-44.1-180-70.5-71.3-172.2175.40112F112 K161 T162 L163 C167 K168 I169F112-K165 HydrophobicContact CD1-CB 3.41Å; F112-K165 VanDerWaalsContact CD1-CB 3.41Å; F112-K165 HydrophobicContact CD1-CG 4.05Å; F112-K165 HydrophobicContact CD2-CB 4.26Å; F112-K165 HydrophobicContact CD2-CD 4.37Å; F112-K165 HydrophobicContact CD2-CG 3.96Å; F112-K165 HydrophobicContact CE1-CB 3.49Å; F112-K165 VanDerWaalsContact CE1-CB 3.49Å; F112-K165 HydrophobicContact CE1-CG 4.07Å; F112-K165 HydrophobicContact CE2-CB 4.33Å; F112-K165 HydrophobicContact CE2-CG 3.99Å; F112-K165 HydrophobicContact CG-CB 3.82Å; F112-K165 HydrophobicContact CG-CD 4.35Å; F112-K165 HydrophobicContact CG-CG 3.99Å; F112-K165 HydrophobicContact CZ-CB 3.97Å; F112-K165 HydrophobicContact CZ-CG 4.04Å; K161-K165 HydrophobicContact CG-CG 4.2Å; K161-K165 WeakPolarHBondContact O-CB 3.4Å; K161-K165 VanDerWaalsContact O-CG 3.3Å; K161-K165 WeakPolarHBondContact O-CG 3.33Å; K161-K165 PolarHBondContact O-N 2.86Å; T162-K165 PolarHBondContact O-N 3.49Å; L163-K165 VanDerWaalsContact C-N 3.34Å; L163-K165 PolarHBondContact O-N 2.94Å; K165-C167 VanDerWaalsContact C-N 3.35Å; K165-C167 PolarHBondContact O-N 3.19Å; K165-K168 WeakPolarHBondContact O-CB 3.41Å; K165-K168 PolarHBondContact O-N 3.49Å; K165-I169 VanDerWaalsContact O-CG1 3.3Å; K165-I169 WeakPolarHBondContact O-CG1 3.31Å; K165-I169 PolarHBondContact O-N 2.78Å
166M98.5Very high97.6Very high0 Ų038.2 Ų38.20%020%0.202CC..Hα-helixtrans-64.8-39177.1-68.9-53.1-5900112V51 T53 M77 F106 I115 L119 L127 N129 T162 L163 I169 I170V51-M166 HydrophobicContact CG1-CE 3.97Å; T53-M166 HydrophobicContact CG2-CE 4.45Å; T53-M166 HydrophobicContact CG2-CG 4.16Å; M77-M166 HydrophobicContact CE-CE 3.97Å; M77-M166 HydrophobicContact SD-CE 4.01Å; F106-M166 HydrophobicContact CE1-SD 4.4Å; I115-M166 HydrophobicContact CG2-CE 4.04Å; I115-M166 HydrophobicContact CG2-SD 3.98Å; L119-M166 HydrophobicContact CD1-CE 4.18Å; L127-M166 HydrophobicContact CD1-CB 4.35Å; L127-M166 HydrophobicContact CD1-CE 4.33Å; L127-M166 HydrophobicContact CD2-CB 4.08Å; N129-M166 VanDerWaalsContact OD1-CB 3.26Å; N129-M166 WeakPolarHBondContact OD1-CB 3.43Å; T162-M166 HydrophobicContact CG2-CG 4.14Å; T162-M166 WeakPolarHBondContact O-CB 3.15Å; T162-M166 VanDerWaalsContact O-CG 3.31Å; T162-M166 WeakPolarHBondContact O-CG 3.32Å; T162-M166 PolarHBondContact O-N 2.83Å; L163-M166 PolarHBondContact O-N 2.63Å; M166-I169 PolarHBondContact O-N 3.34Å; M166-I169 HydrophobicContact SD-CD1 4.32Å; M166-I170 HydrophobicContact CE-CD1 3.84Å; M166-I170 PolarHBondContact O-N 2.98Å; M166-I170 VanDerWaalsContact O-N 3.1Å
167C98.5Very high97.7Very high3 Ų338.5 Ų38.52%0.0220%0.199CC..Hα-helixtrans-60.7-47.3170.8-71.20000111.2L163 C164 K165 I169 I170 L171 F210 L214L163-C167 WeakPolarHBondContact O-CB 3.36Å; L163-C167 PolarHBondContact O-N 3.25Å; L163-C167 PolarHBondContact O-SG 3.27Å; L163-C167 VanDerWaalsContact O-SG 3.34Å; C164-C167 PolarHBondContact O-N 3.1Å; K165-C167 VanDerWaalsContact C-N 3.35Å; K165-C167 PolarHBondContact O-N 3.19Å; C167-I169 VanDerWaalsContact C-N 3.26Å; C167-I169 PolarHBondContact O-N 2.95Å; C167-I170 PolarHBondContact O-N 3.36Å; C167-L171 WeakPolarHBondContact O-CB 3.27Å; C167-L171 PolarHBondContact O-N 3Å; C167-F210 HydrophobicContact CB-CE1 4.49Å; C167-L214 HydrophobicContact CB-CD2 4.45Å
168K98.1Very high97.7Very high146 Ų14642.9 Ų42.964%0.63522%0.222SC*.Hα-helixtrans-55.7-40177.2-175.2-167.6171.9-160.60112.5C164 K165 P172C164-K168 PolarHBondContact O-N 3.49Å; K165-K168 WeakPolarHBondContact O-CB 3.41Å; K165-K168 PolarHBondContact O-N 3.49Å; K168-P172 WeakPolarHBondContact O-CD 3.11Å; K168-P172 WeakPolarHBondContact O-CG 3.41Å
169I98.4Very high97.9Very high28 Ų2846.4 Ų46.414%0.14424%0.237CC..Hα-helixtrans-70.4-42.2-178.8-67.9165.1000111.4F112 I115 E116 L119 K165 M166 C167F112-I169 HydrophobicContact CB-CD1 4.34Å; F112-I169 HydrophobicContact CD1-CD1 4.46Å; I115-I169 HydrophobicContact CG2-CD1 4.25Å; E116-I169 HydrophobicContact CB-CD1 4.19Å; E116-I169 HydrophobicContact CB-CG1 4.12Å; E116-I169 HydrophobicContact CB-CG2 4.16Å; E116-I169 HydrophobicContact CG-CG1 4.35Å; E116-I169 HydrophobicContact CG-CG2 4.18Å; L119-I169 HydrophobicContact CD1-CG2 4.2Å; K165-I169 VanDerWaalsContact O-CG1 3.3Å; K165-I169 WeakPolarHBondContact O-CG1 3.31Å; K165-I169 PolarHBondContact O-N 2.78Å; M166-I169 PolarHBondContact O-N 3.34Å; M166-I169 HydrophobicContact SD-CD1 4.32Å; C167-I169 VanDerWaalsContact C-N 3.26Å; C167-I169 PolarHBondContact O-N 2.95Å
170I98.6Very high97.9Very high7 Ų746.3 Ų46.34%0.03624%0.236CC..Hα-helixtrans-98.8-35.1-166.5-68.5169000113.1V51 L119 I124 L127 M166 C167 P172 G173 M174V51-I170 HydrophobicContact CB-CD1 4.06Å; V51-I170 HydrophobicContact CG1-CD1 4.2Å; V51-I170 HydrophobicContact CG2-CD1 4.03Å; L119-I170 HydrophobicContact CD1-CD1 4.24Å; L119-I170 HydrophobicContact CD1-CG1 4.39Å; I124-I170 HydrophobicContact CB-CG2 4.29Å; I124-I170 HydrophobicContact CD1-CD1 4.32Å; I124-I170 HydrophobicContact CD1-CG1 4.05Å; I124-I170 HydrophobicContact CG2-CD1 4.37Å; I124-I170 HydrophobicContact CG2-CG2 3.74Å; L127-I170 HydrophobicContact CB-CD1 4.16Å; L127-I170 HydrophobicContact CB-CG2 4.35Å; L127-I170 HydrophobicContact CD1-CD1 3.65Å; L127-I170 HydrophobicContact CD2-CB 4.3Å; L127-I170 HydrophobicContact CD2-CD1 3.89Å; L127-I170 HydrophobicContact CG-CD1 4.09Å; M166-I170 HydrophobicContact CE-CD1 3.84Å; M166-I170 PolarHBondContact O-N 2.98Å; M166-I170 VanDerWaalsContact O-N 3.1Å; C167-I170 PolarHBondContact O-N 3.36Å; I170-P172 VanDerWaalsContact C-CD 3.47Å; I170-G173 PolarHBondContact O-N 3.34Å; I170-M174 HydrophobicContact CG2-CE 3.53Å; I170-M174 HydrophobicContact CG2-CG 4.31Å; I170-M174 HydrophobicContact CG2-SD 4.04Å; I170-M174 PolarHBondContact O-N 3.09Å
171L98.3Very high98Very high9 Ų945.3 Ų45.35%0.04723%0.23CC..Hα-helixtrans-59.1-40.7-173.2-175.560.3000113.9C167 G173 M174 E175 I182 L214 Y218 I223 I225C167-L171 WeakPolarHBondContact O-CB 3.27Å; C167-L171 PolarHBondContact O-N 3Å; L171-G173 PolarHBondContact O-N 3Å; L171-M174 WeakPolarHBondContact O-CB 3.35Å; L171-M174 PolarHBondContact O-N 3.41Å; L171-E175 WeakPolarHBondContact O-CB 3.34Å; L171-E175 PolarHBondContact O-N 3.22Å; L171-I182 HydrophobicContact CB-CD1 4.46Å; L171-I182 HydrophobicContact CD1-CD1 3.91Å; L171-L214 HydrophobicContact CD2-CD1 4.04Å; L171-L214 HydrophobicContact CD2-CD2 4.13Å; L171-L214 HydrophobicContact CD2-CG 4.31Å; L171-Y218 HydrophobicContact CD1-CD1 4.33Å; L171-Y218 HydrophobicContact CD1-CE1 4.39Å; L171-Y218 HydrophobicContact CD2-CD2 4.07Å; L171-Y218 HydrophobicContact CD2-CE1 4.01Å; L171-Y218 HydrophobicContact CD2-CE2 3.56Å; L171-Y218 VanDerWaalsContact CD2-CZ 3.5Å; L171-Y218 HydrophobicContact CG-CE1 4.16Å; L171-I223 HydrophobicContact CD1-CD1 3.71Å; L171-I223 HydrophobicContact CD1-CG2 4.32Å; L171-I225 HydrophobicContact CD1-CD1 4.44Å
172P97.9Very high98.1Very high74 Ų7443.1 Ų43.148%0.48122%0.221SC..Hα-helixtrans-57.2-37.7178.6-26.335.6000113.1K168 I170 E175 N176K168-P172 WeakPolarHBondContact O-CD 3.11Å; K168-P172 WeakPolarHBondContact O-CG 3.41Å; I170-P172 VanDerWaalsContact C-CD 3.47Å; P172-E175 PolarHBondContact O-N 2.93Å; P172-N176 WeakPolarHBondContact O-CB 3.34Å; P172-N176 PolarHBondContact O-N 2.96Å
173G97.9Very high98.2Very high29 Ų2943.1 Ų43.130%0.29922%0.221SC..Hα-helixtrans-68-38.7176.500000112.9I170 L171 R177I170-G173 PolarHBondContact O-N 3.34Å; L171-G173 PolarHBondContact O-N 3Å; G173-R177 WeakPolarHBondContact O-CG 3.36Å; G173-R177 VanDerWaalsContact O-CZ 3.22Å; G173-R177 PolarHBondContact O-N 2.79Å; G173-R177 PolarHBondContact O-NH1 3.32Å
174M98.5Very high98.2Very high1 Ų142.8 Ų42.81%0.00522%0.219CC..Hα-helixtrans-67.2-41.9175.7-67.4178.6170.300111.6I124 L127 I170 L171 R177 N178 K179 I182 I223I124-M174 HydrophobicContact CG2-CE 4.28Å; L127-M174 HydrophobicContact CB-CE 4.42Å; I170-M174 HydrophobicContact CG2-CE 3.53Å; I170-M174 HydrophobicContact CG2-CG 4.31Å; I170-M174 HydrophobicContact CG2-SD 4.04Å; I170-M174 PolarHBondContact O-N 3.09Å; L171-M174 WeakPolarHBondContact O-CB 3.35Å; L171-M174 PolarHBondContact O-N 3.41Å; M174-R177 CarbonylContact O-C 3.52Å; M174-R177 PolarHBondContact O-N 2.77Å; M174-N178 PolarHBondContact O-N 2.84Å; M174-K179 WeakPolarHBondContact CA-O 3.18Å; M174-K179 PolarHBondContact O-N 3.27Å; M174-K179 VanDerWaalsContact O-N 3.12Å; M174-I182 HydrophobicContact CE-CG1 4.33Å; M174-I182 HydrophobicContact SD-CD1 4.14Å; M174-I182 HydrophobicContact SD-CG1 3.82Å; M174-I223 HydrophobicContact CB-CD1 3.82Å; M174-I223 HydrophobicContact CB-CG1 4.21Å
175E98Very high98.2Very high83 Ų8341.4 Ų41.439%0.38821%0.209SC..Hα-helixtrans-62-48.4178.1-178.3174-153.600111.5L171 P172 R177 N178 Y218 I223L171-E175 WeakPolarHBondContact O-CB 3.34Å; L171-E175 PolarHBondContact O-N 3.22Å; P172-E175 PolarHBondContact O-N 2.93Å; E175-R177 PolarHBondContact O-N 3.4Å; E175-N178 PolarHBondContact O-N 2.86Å; E175-N178 PolarHBondContact O-OD1 3.43Å; E175-Y218 HydrophobicContact CG-CE1 4.34Å; E175-I223 HydrophobicContact CB-CD1 4.23Å
176N97.6Very high98.2Very high139 Ų13937.6 Ų37.674%0.74319%0.193SC*.Hα-helixtrans-57.3-27.8177.1-173.941000113.1P172P172-N176 WeakPolarHBondContact O-CB 3.34Å; P172-N176 PolarHBondContact O-N 2.96Å
177R97.5Very high97.9Very high76 Ų7638 Ų3829%0.28720%0.195SC..THydrogen-bonded Turntrans-98.9-0.9179-59.8-172.4-51-91.7-2.3113.7N123 I124 G173 M174 E175 K179N123-R177 PolarHBondContact OD1-NE 3.12Å; N123-R177 PolarHBondContact OD1-NH2 3.23Å; I124-R177 PolarHBondContact O-NH2 2.85Å; G173-R177 WeakPolarHBondContact O-CG 3.36Å; G173-R177 VanDerWaalsContact O-CZ 3.22Å; G173-R177 PolarHBondContact O-N 2.79Å; G173-R177 PolarHBondContact O-NH1 3.32Å; M174-R177 CarbonylContact O-C 3.52Å; M174-R177 PolarHBondContact O-N 2.77Å; E175-R177 PolarHBondContact O-N 3.4Å; R177-K179 HydrophobicContact CB-CG 4.11Å; R177-K179 PolarHBondContact O-N 2.87Å
178N97.8Very high97.4Very high103 Ų10337.8 Ų37.855%0.55120%0.195SC*.THydrogen-bonded Turntrans48.836.9-173.1-64.1-65.5000114.1M174 E175 S221M174-N178 PolarHBondContact O-N 2.84Å; E175-N178 PolarHBondContact O-N 2.86Å; E175-N178 PolarHBondContact O-OD1 3.43Å; N178-S221 CarbonylContact C-O 3.51Å; N178-S221 WeakPolarHBondContact CA-O 3.28Å; N178-S221 VanDerWaalsContact O-O 3.12Å
179K97.8Very high96.8Very high81 Ų8132.6 Ų32.635%0.35217%0.173SC..  trans-161.3139.817865.9-171.2-177.1169.90112.3S45 M46 M174 R177S45-K179 WeakPolarHBondContact O-CD 3.36Å; S45-K179 WeakPolarHBondContact O-CE 3.48Å; S45-K179 PolarHBondContact O-NZ 3.08Å; M46-K179 HydrophobicContact SD-CB 3.93Å; M174-K179 WeakPolarHBondContact CA-O 3.18Å; M174-K179 PolarHBondContact O-N 3.27Å; M174-K179 VanDerWaalsContact O-N 3.12Å; R177-K179 HydrophobicContact CB-CG 4.11Å; R177-K179 PolarHBondContact O-N 2.87Å
180G98.4Very high95.9Very high0 Ų031.9 Ų31.90%017%0.172CC..EExtended strand (participates in β ladder)trans171.2165.3177.100000112.3G125 I223 I224G125-G180 WeakPolarHBondContact O-CA 3.43Å; G180-I223 WeakPolarHBondContact O-CA 3.22Å; G180-I224 PolarHBondContact O-N 3.25Å
181V98.8Very high94.9Very high0 Ų032.7 Ų32.70%018%0.178CC..EExtended strand (participates in β ladder)trans-131.6125.2173.8-1770000109.7F42 M46 G125 V126 L127 I183 I224 V261F42-V181 HydrophobicContact CE1-CG2 4.21Å; F42-V181 HydrophobicContact CZ-CG2 4.39Å; M46-V181 HydrophobicContact CG-CG2 3.99Å; G125-V181 PolarHBondContact O-N 3.31Å; V126-V181 CarbonylContact C-O 3.54Å; V126-V181 VanDerWaalsContact CA-O 3.24Å; V126-V181 WeakPolarHBondContact CA-O 3.46Å; V126-V181 HydrophobicContact CG1-CB 4.4Å; V126-V181 HydrophobicContact CG2-CB 4.31Å; L127-V181 PolarHBondContact N-O 3.35Å; V181-I183 HydrophobicContact CG1-CD1 4.35Å; V181-I183 HydrophobicContact CG1-CG1 3.92Å; V181-I224 CarbonylContact C-O 3.55Å; V181-I224 VanDerWaalsContact CA-O 3.26Å; V181-I224 WeakPolarHBondContact CA-O 3.3Å; V181-I224 HydrophobicContact CG1-CG2 4.49Å; V181-I224 HydrophobicContact CG2-CB 4.36Å; V181-I224 HydrophobicContact CG2-CD1 4.48Å; V181-V261 HydrophobicContact CG1-CG2 3.68Å
182I98.9Very high93.8Very high0 Ų034.1 Ų34.10%018%0.184CC..EExtended strand (participates in β ladder)trans-115.6118.9171.9-58.1-177.7000108.2L127 L171 M174 N184 I224 I225 Q226L127-I182 HydrophobicContact CB-CG1 4.31Å; L127-I182 HydrophobicContact CD2-CG2 4.24Å; L127-I182 HydrophobicContact CG-CG2 4.46Å; L127-I182 CarbonylContact O-C 3.58Å; L127-I182 WeakPolarHBondContact O-CA 3.49Å; L171-I182 HydrophobicContact CB-CD1 4.46Å; L171-I182 HydrophobicContact CD1-CD1 3.91Å; M174-I182 HydrophobicContact CE-CG1 4.33Å; M174-I182 HydrophobicContact SD-CD1 4.14Å; M174-I182 HydrophobicContact SD-CG1 3.82Å; I182-N184 WeakPolarHBondContact CG2-OD1 3.43Å; I182-I224 PolarHBondContact N-O 3Å; I182-I225 HydrophobicContact CB-CB 4.47Å; I182-I225 HydrophobicContact CB-CG1 4.21Å; I182-I225 HydrophobicContact CB-CG2 4.2Å; I182-I225 HydrophobicContact CD1-CD1 4.31Å; I182-I225 HydrophobicContact CD1-CG1 4.37Å; I182-I225 HydrophobicContact CG1-CG1 4.48Å; I182-I225 HydrophobicContact CG2-CG2 4.34Å; I182-I225 CarbonylContact O-C 3.59Å; I182-I225 WeakPolarHBondContact O-CA 3.36Å; I182-Q226 PolarHBondContact O-N 2.92Å
183I98.8Very high92.7Very high1 Ų133.3 Ų33.31%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-109.4110.8176.3-58179.3000107.7Y63 L127 V128 N129 V181 V228 L258 V261Y63-I183 HydrophobicContact CE1-CD1 3.9Å; Y63-I183 HydrophobicContact CE1-CG2 4.48Å; L127-I183 PolarHBondContact O-N 3.43Å; V128-I183 CarbonylContact C-O 3.45Å; V128-I183 WeakPolarHBondContact CA-O 3.47Å; V128-I183 HydrophobicContact CG1-CB 4.43Å; V128-I183 HydrophobicContact CG1-CG2 4.45Å; V128-I183 HydrophobicContact CG2-CB 4.32Å; V128-I183 HydrophobicContact CG2-CD1 4.4Å; N129-I183 PolarHBondContact N-O 2.96Å; V181-I183 HydrophobicContact CG1-CD1 4.35Å; V181-I183 HydrophobicContact CG1-CG1 3.92Å; I183-V228 HydrophobicContact CG2-CB 4.42Å; I183-V228 HydrophobicContact CG2-CG2 3.64Å; I183-L258 HydrophobicContact CD1-CD2 3.9Å; I183-V261 HydrophobicContact CD1-CG2 4.5Å
184N98.7Very high91.7Very high0 Ų034 Ų340%017%0.173CC..EExtended strand (participates in β ladder)trans-102.5111.7179-69.5-25.5000109.4N129 L163 I182 A186 V207 S211 Q226 A227 V228N129-N184 WeakPolarHBondContact CB-OD1 3.04Å; N129-N184 PolarHBondContact ND2-OD1 3.42Å; L163-N184 HydrophobicContact CD1-CB 3.66Å; L163-N184 VanDerWaalsContact CD1-CG 3.43Å; L163-N184 WeakPolarHBondContact CD1-OD1 3.5Å; I182-N184 WeakPolarHBondContact CG2-OD1 3.43Å; N184-A186 PolarHBondContact O-N 2.91Å; N184-A186 VanDerWaalsContact O-N 3.12Å; N184-V207 HydrophobicContact CB-CG1 3.95Å; N184-S211 WeakPolarHBondContact CB-OG 3.48Å; N184-S211 PolarHBondContact ND2-OG 3.46Å; N184-Q226 PolarHBondContact N-O 3.23Å; N184-A227 CarbonylContact O-C 3.38Å; N184-A227 WeakPolarHBondContact O-CA 3.19Å; N184-V228 PolarHBondContact O-N 3.19Å
185V98.3Very high90.9Very high8 Ų835.1 Ų35.15%0.04818%0.181CC..EExtended strand (participates in β ladder)trans-81.899.5-177.1-171.80000109.9Y63 V128 N129 N130 K204 V228 P230Y63-V185 HydrophobicContact CE2-CG2 4.32Å; V128-V185 HydrophobicContact CG1-CG2 4.31Å; N129-V185 PolarHBondContact O-N 3.3Å; N130-V185 HydrophobicContact CB-CB 4.31Å; N130-V185 HydrophobicContact CB-CG2 3.75Å; V185-K204 PolarHBondContact O-NZ 2.77Å; V185-V228 CarbonylContact C-O 3.51Å; V185-P230 HydrophobicContact CG1-CG 4.13Å
186A96.2Very high90.2Very high1 Ų132.3 Ų32.31%0.00817%0.168CC..  trans-79.5-144.917100000110.4N184 V207 V228 A229N184-A186 PolarHBondContact O-N 2.91Å; N184-A186 VanDerWaalsContact O-N 3.12Å; A186-V207 HydrophobicContact CB-CB 4.4Å; A186-V207 HydrophobicContact CB-CG1 3.98Å; A186-V228 WeakPolarHBondContact CA-O 3.45Å; A186-V228 PolarHBondContact N-O 3.43Å; A186-A229 HydrophobicContact CB-CB 4.3Å
187S93.6Very high89.7Confident8 Ų826.9 Ų26.96%0.05614%0.137CC..  trans-154.5147.5171-177.50000109.7I189 A190S187-I189 PolarHBondContact O-N 3.37Å; S187-I189 PolarHBondContact OG-N 2.95Å; S187-A190 WeakPolarHBondContact O-CB 3.32Å; S187-A190 PolarHBondContact O-N 3.15Å
188G87.4Confident89.3Confident0 Ų027.2 Ų27.20%015%0.148CC..G310 helixtrans-58.8-24.4170.300000112.4A190 S191 P230G188-A190 PolarHBondContact O-N 3.4Å; G188-S191 VanDerWaalsContact O-CB 3.25Å; G188-S191 WeakPolarHBondContact O-CB 3.26Å; G188-S191 PolarHBondContact O-N 3.14Å; G188-S191 PolarHBondContact O-OG 3.36Å; G188-P230 PolarHBondContact N-O 3.14Å
189I84.9Confident89Confident36 Ų3623.7 Ų23.719%0.18513%0.129CC..G310 helixtrans-61.8-22.8172-63.4178.4000111.9S187 S191 F194 Y200 A201S187-I189 PolarHBondContact O-N 3.37Å; S187-I189 PolarHBondContact OG-N 2.95Å; I189-S191 PolarHBondContact O-N 2.97Å; I189-F194 HydrophobicContact CG1-CD2 4.4Å; I189-F194 HydrophobicContact CG2-CB 3.46Å; I189-F194 VanDerWaalsContact CG2-CB 3.46Å; I189-F194 HydrophobicContact CG2-CD2 4.02Å; I189-F194 HydrophobicContact CG2-CG 3.77Å; I189-Y200 HydrophobicContact CD1-CE1 4.16Å; I189-Y200 HydrophobicContact CG2-CD1 4.47Å; I189-A201 HydrophobicContact CG2-CB 3.9Å
190A80.4Confident88.8Confident14 Ų1420.7 Ų20.712%0.11612%0.116CC..G310 helixtrans-68.4-15173.600000113.3S187 G188 F192 K204 V205S187-A190 WeakPolarHBondContact O-CB 3.32Å; S187-A190 PolarHBondContact O-N 3.15Å; G188-A190 PolarHBondContact O-N 3.4Å; A190-F192 VanDerWaalsContact C-N 3.33Å; A190-F192 PolarHBondContact O-N 3.42Å; A190-K204 HydrophobicContact CB-CB 3.96Å; A190-V205 HydrophobicContact CB-CG2 3.88Å; A190-V205 WeakPolarHBondContact O-CG2 3.43Å
191S76.4Confident88.5Confident23 Ų2321.1 Ų21.116%0.16112%0.119CC..G310 helixtrans-80.7-11.1-174.8-64.50000114.2G188 I189G188-S191 VanDerWaalsContact O-CB 3.25Å; G188-S191 WeakPolarHBondContact O-CB 3.26Å; G188-S191 PolarHBondContact O-N 3.14Å; G188-S191 PolarHBondContact O-OG 3.36Å; I189-S191 PolarHBondContact O-N 2.97Å
192F76.1Confident88.3Confident40 Ų4023.9 Ų23.918%0.17514%0.142CC..SBendtrans-154.6151.8176.259.4-79.3000109.7A190 F194 F231 L280A190-F192 VanDerWaalsContact C-N 3.33Å; A190-F192 PolarHBondContact O-N 3.42Å; F192-F194 HydrophobicContact CD2-CD2 4.42Å; F192-F194 AromaticContact CE2-CD2 3.46Å; F192-F194 HydrophobicContact CE2-CD2 3.46Å; F192-F194 VanDerWaalsContact CE2-CD2 3.46Å; F192-F194 HydrophobicContact CE2-CE2 4.07Å; F192-F194 HydrophobicContact CE2-CG 4.46Å; F192-F194 AromaticContact CZ-CD2 3.7Å; F192-F194 HydrophobicContact CZ-CD2 3.7Å; F192-F194 HydrophobicContact CZ-CE2 4.11Å; F192-F194 PolarHBondContact O-N 3.12Å; F192-F231 HydrophobicContact CE1-CE1 4.32Å; F192-L280 HydrophobicContact CD1-CB 4.28Å; F192-L280 HydrophobicContact CD1-CD1 4.42Å; F192-L280 HydrophobicContact CE1-CB 4.3Å; F192-L280 HydrophobicContact CE1-CD1 3.65Å; F192-L280 HydrophobicContact CZ-CD1 4.06Å
193P74.7Confident88.2Confident57 Ų5724.1 Ų24.137%0.3714%0.144SC..  trans-57.3123.9173.7-2839.1000110.5P195 L285 Y289P193-P195 VanDerWaalsContact O-CD 3.3Å; P193-P195 WeakPolarHBondContact O-CD 3.31Å; P193-L285 HydrophobicContact CB-CD1 4.1Å; P193-L285 HydrophobicContact CG-CD1 3.58Å; P193-L285 HydrophobicContact CG-CD2 4.35Å; P193-Y289 HydrophobicContact CB-CE1 3.94Å; P193-Y289 WeakPolarHBondContact CB-OH 3.3Å; P193-Y289 WeakPolarHBondContact CG-OH 3.5Å
194F77.3Confident88.1Confident42 Ų4224.4 Ų24.418%0.18415%0.145CC..  trans-113.394.1179.3-158.4-79.8000109.1I189 F192 Y197 T198 A201 L297I189-F194 HydrophobicContact CG1-CD2 4.4Å; I189-F194 HydrophobicContact CG2-CB 3.46Å; I189-F194 VanDerWaalsContact CG2-CB 3.46Å; I189-F194 HydrophobicContact CG2-CD2 4.02Å; I189-F194 HydrophobicContact CG2-CG 3.77Å; F192-F194 HydrophobicContact CD2-CD2 4.42Å; F192-F194 AromaticContact CE2-CD2 3.46Å; F192-F194 HydrophobicContact CE2-CD2 3.46Å; F192-F194 VanDerWaalsContact CE2-CD2 3.46Å; F192-F194 HydrophobicContact CE2-CE2 4.07Å; F192-F194 HydrophobicContact CE2-CG 4.46Å; F192-F194 AromaticContact CZ-CD2 3.7Å; F192-F194 HydrophobicContact CZ-CD2 3.7Å; F192-F194 HydrophobicContact CZ-CE2 4.11Å; F192-F194 PolarHBondContact O-N 3.12Å; F194-Y197 HydrophobicContact CD1-CD2 4.05Å; F194-Y197 HydrophobicContact CD1-CG 4.46Å; F194-Y197 AromaticContact CE1-CD2 3.94Å; F194-Y197 HydrophobicContact CE1-CD2 3.94Å; F194-Y197 CarbonylContact O-C 3.59Å; F194-Y197 PolarHBondContact O-N 2.9Å; F194-T198 PolarHBondContact O-N 2.86Å; F194-A201 HydrophobicContact CB-CB 4.42Å; F194-L297 HydrophobicContact CE1-CD2 4.38Å; F194-L297 HydrophobicContact CZ-CD2 3.91Å
195P81.1Confident88Confident25 Ų2527.2 Ų27.216%0.16216%0.162CC..THydrogen-bonded Turntrans-50.9147.9176-2736.1000110.9P193 Y197 Y289 L294P193-P195 VanDerWaalsContact O-CD 3.3Å; P193-P195 WeakPolarHBondContact O-CD 3.31Å; P195-Y197 PolarHBondContact O-N 3.17Å; P195-Y197 VanDerWaalsContact O-N 3.15Å; P195-Y289 HydrophobicContact CG-CD1 4.19Å; P195-Y289 HydrophobicContact CG-CE1 4.21Å; P195-L294 HydrophobicContact CB-CD2 3.53Å; P195-L294 HydrophobicContact CG-CD2 3.49Å; P195-L294 VanDerWaalsContact CG-CD2 3.49Å
196L83Confident88Confident24 Ų2430.8 Ų30.813%0.12618%0.177CC..THydrogen-bonded Turntrans71.9-8.9-178.1-41.7173.9000115.9P139 C140 K141 L297 Q298P139-L196 HydrophobicContact CB-CB 3.52Å; P139-L196 HydrophobicContact CB-CD1 4.28Å; C140-L196 PolarHBondContact N-O 2.98Å; C140-L196 CarbonylContact O-C 3.58Å; C140-L196 WeakPolarHBondContact O-CA 3.46Å; C140-L196 VanDerWaalsContact O-O 3.08Å; K141-L196 HydrophobicContact CG-CD2 4.04Å; L196-L297 HydrophobicContact CD1-CB 4.48Å; L196-Q298 HydrophobicContact CD1-CG 3.68Å
197Y87Confident88.1Confident25 Ų2530.8 Ų30.810%0.09818%0.177CC..  trans-126.530.3167.8-81.1-34.4000112.6L134 P135 T136 F137 P139 F194 P195 L199 Y200 A201L134-Y197 HydrophobicContact CD2-CE1 4.41Å; L134-Y197 HydrophobicContact CD2-CE2 4.47Å; P135-Y197 HydrophobicContact CG-CD1 4.16Å; T136-Y197 WeakPolarHBondContact O-CE1 3.4Å; T136-Y197 PolarHBondContact O-OH 2.81Å; F137-Y197 PolarHBondContact O-OH 2.9Å; P139-Y197 HydrophobicContact CB-CD1 4.28Å; P139-Y197 HydrophobicContact CB-CD2 4.44Å; P139-Y197 HydrophobicContact CB-CE1 4.07Å; P139-Y197 HydrophobicContact CB-CE2 4.28Å; P139-Y197 HydrophobicContact CB-CG 4.46Å; P139-Y197 WeakPolarHBondContact CD-OH 3.47Å; P139-Y197 HydrophobicContact CG-CD2 4.15Å; P139-Y197 HydrophobicContact CG-CE1 3.95Å; P139-Y197 HydrophobicContact CG-CE2 3.58Å; P139-Y197 VanDerWaalsContact CG-CZ 3.45Å; F194-Y197 HydrophobicContact CD1-CD2 4.05Å; F194-Y197 HydrophobicContact CD1-CG 4.46Å; F194-Y197 AromaticContact CE1-CD2 3.94Å; F194-Y197 HydrophobicContact CE1-CD2 3.94Å; F194-Y197 CarbonylContact O-C 3.59Å; F194-Y197 PolarHBondContact O-N 2.9Å; P195-Y197 PolarHBondContact O-N 3.17Å; P195-Y197 VanDerWaalsContact O-N 3.15Å; Y197-L199 VanDerWaalsContact C-N 3.32Å; Y197-L199 PolarHBondContact O-N 3.05Å; Y197-Y200 PolarHBondContact O-N 3.44Å; Y197-A201 WeakPolarHBondContact O-CB 3.46Å; Y197-A201 PolarHBondContact O-N 3.48Å
198T89.8Confident88.2Confident84 Ų8430.9 Ų30.952%0.51518%0.176SC..Hα-helixtrans-49-49.2-175.4-51.50000113F194 Y200 A201 A202F194-T198 PolarHBondContact O-N 2.86Å; T198-Y200 PolarHBondContact O-N 3.46Å; T198-A201 PolarHBondContact O-N 2.85Å; T198-A202 VanDerWaalsContact O-CB 3.25Å; T198-A202 WeakPolarHBondContact O-CB 3.15Å; T198-A202 PolarHBondContact O-N 3.29Å
199L92.6Very high88.7Confident29 Ų2938.2 Ų38.215%0.15220%0.204CC..Hα-helixtrans-64.7-40.9-178.9-178.460.9000112.4P135 T151 I152 V155 I156 Y197 S203P135-L199 HydrophobicContact CB-CD2 4.31Å; T151-L199 HydrophobicContact CG2-CD2 4.47Å; I152-L199 HydrophobicContact CG1-CD2 4.1Å; V155-L199 HydrophobicContact CB-CD2 3.91Å; V155-L199 HydrophobicContact CB-CG 4.11Å; V155-L199 HydrophobicContact CG1-CD1 4.48Å; V155-L199 HydrophobicContact CG1-CD2 4.24Å; V155-L199 HydrophobicContact CG1-CG 3.87Å; V155-L199 HydrophobicContact CG2-CD2 3.96Å; V155-L199 HydrophobicContact CG2-CG 4.41Å; I156-L199 HydrophobicContact CD1-CD1 4.43Å; Y197-L199 VanDerWaalsContact C-N 3.32Å; Y197-L199 PolarHBondContact O-N 3.05Å; L199-S203 WeakPolarHBondContact O-CB 3.44Å; L199-S203 PolarHBondContact O-N 2.86Å
200Y93.1Very high89.3Confident18 Ų1839.3 Ų39.37%0.07121%0.208CC..Hα-helixtrans-65.6-50.6175.2177.4-105.3000111.5V133 L134 I189 Y197 T198 A202 S203 K204V133-Y200 WeakPolarHBondContact O-CD2 3.32Å; L134-Y200 HydrophobicContact CD2-CD1 3.95Å; L134-Y200 HydrophobicContact CD2-CD2 3.7Å; L134-Y200 HydrophobicContact CD2-CE1 4.08Å; L134-Y200 HydrophobicContact CD2-CE2 3.84Å; L134-Y200 HydrophobicContact CD2-CG 3.75Å; I189-Y200 HydrophobicContact CD1-CE1 4.16Å; I189-Y200 HydrophobicContact CG2-CD1 4.47Å; Y197-Y200 PolarHBondContact O-N 3.44Å; T198-Y200 PolarHBondContact O-N 3.46Å; Y200-A202 VanDerWaalsContact C-N 3.34Å; Y200-A202 PolarHBondContact O-N 2.93Å; Y200-S203 PolarHBondContact O-N 3.36Å; Y200-S203 VanDerWaalsContact O-N 3.15Å; Y200-S203 PolarHBondContact O-OG 3.31Å; Y200-K204 HydrophobicContact CD2-CG 4.41Å; Y200-K204 HydrophobicContact CE1-CG 4.07Å; Y200-K204 HydrophobicContact CE2-CD 4.35Å; Y200-K204 HydrophobicContact CE2-CG 3.98Å; Y200-K204 WeakPolarHBondContact O-CG 3.29Å; Y200-K204 PolarHBondContact O-N 3.15Å
201A92.3Very high90.2Very high9 Ų938.6 Ų38.67%0.07420%0.202CC..Hα-helixtrans-56.8-48.2179.500000110.8I189 F194 Y197 T198 S203 K204 V205I189-A201 HydrophobicContact CG2-CB 3.9Å; F194-A201 HydrophobicContact CB-CB 4.42Å; Y197-A201 WeakPolarHBondContact O-CB 3.46Å; Y197-A201 PolarHBondContact O-N 3.48Å; T198-A201 PolarHBondContact O-N 2.85Å; A201-S203 PolarHBondContact O-N 3.14Å; A201-K204 PolarHBondContact O-N 2.86Å; A201-K204 VanDerWaalsContact O-N 3.09Å; A201-V205 WeakPolarHBondContact O-CG2 3.41Å; A201-V205 PolarHBondContact O-N 3.16Å
202A94.8Very high91.2Very high58 Ų5839.6 Ų39.648%0.47920%0.204SC..Hα-helixtrans-58.7-44.5176.100000112.2T198 Y200 K204 V205 F206T198-A202 VanDerWaalsContact O-CB 3.25Å; T198-A202 WeakPolarHBondContact O-CB 3.15Å; T198-A202 PolarHBondContact O-N 3.29Å; Y200-A202 VanDerWaalsContact C-N 3.34Å; Y200-A202 PolarHBondContact O-N 2.93Å; A202-K204 PolarHBondContact O-N 2.75Å; A202-V205 PolarHBondContact O-N 3.4Å; A202-F206 PolarHBondContact O-N 2.99Å
203S96.5Very high92.3Very high4 Ų439.1 Ų39.13%0.02821%0.211CC..Hα-helixtrans-60-35.6176780000112.4N159 L199 Y200 A201 F206 V207N159-S203 PolarHBondContact ND2-OG 3.26Å; L199-S203 WeakPolarHBondContact O-CB 3.44Å; L199-S203 PolarHBondContact O-N 2.86Å; Y200-S203 PolarHBondContact O-N 3.36Å; Y200-S203 VanDerWaalsContact O-N 3.15Å; Y200-S203 PolarHBondContact O-OG 3.31Å; A201-S203 PolarHBondContact O-N 3.14Å; S203-F206 WeakPolarHBondContact O-CB 3.46Å; S203-F206 PolarHBondContact O-N 3.13Å; S203-V207 WeakPolarHBondContact O-CG2 3.38Å; S203-V207 PolarHBondContact O-N 3.1Å; S203-V207 VanDerWaalsContact O-N 3.14Å
204K96.2Very high93.4Very high8 Ų837.1 Ų37.14%0.03520%0.197CC..Hα-helixtrans-80.2-26.6179.1-63.8-54.5-167.5173.50113V185 A190 Y200 A201 A202 V207 E208V185-K204 PolarHBondContact O-NZ 2.77Å; A190-K204 HydrophobicContact CB-CB 3.96Å; Y200-K204 HydrophobicContact CD2-CG 4.41Å; Y200-K204 HydrophobicContact CE1-CG 4.07Å; Y200-K204 HydrophobicContact CE2-CD 4.35Å; Y200-K204 HydrophobicContact CE2-CG 3.98Å; Y200-K204 WeakPolarHBondContact O-CG 3.29Å; Y200-K204 PolarHBondContact O-N 3.15Å; A201-K204 PolarHBondContact O-N 2.86Å; A201-K204 VanDerWaalsContact O-N 3.09Å; A202-K204 PolarHBondContact O-N 2.75Å; K204-V207 HydrophobicContact CD-CG2 4.37Å; K204-V207 PolarHBondContact O-N 2.71Å; K204-E208 PolarHBondContact O-N 3.02Å; K204-E208 VanDerWaalsContact O-N 3.07Å
205V96.1Very high94.4Very high59 Ų5936.6 Ų36.636%0.35820%0.195SC..Hα-helixtrans-63.7-43165.9176.50000110.2A190 A201 A202 V207 E208 R209A190-V205 HydrophobicContact CB-CG2 3.88Å; A190-V205 WeakPolarHBondContact O-CG2 3.43Å; A201-V205 WeakPolarHBondContact O-CG2 3.41Å; A201-V205 PolarHBondContact O-N 3.16Å; A202-V205 PolarHBondContact O-N 3.4Å; V205-V207 PolarHBondContact O-N 3.03Å; V205-E208 PolarHBondContact O-N 3.33Å; V205-R209 HydrophobicContact CG1-CG 4.19Å; V205-R209 WeakPolarHBondContact O-CG 3.34Å; V205-R209 PolarHBondContact O-N 2.94Å
206F97.8Very high95.1Very high82 Ų8239 Ų3936%0.3622%0.217SC..Hα-helixtrans-55.9-51173.9177.1-78.3000110.9V160 A202 S203 E208 R209 F210V160-F206 HydrophobicContact CB-CD1 4.26Å; V160-F206 HydrophobicContact CB-CE1 4.48Å; V160-F206 HydrophobicContact CG1-CD1 3.65Å; V160-F206 HydrophobicContact CG1-CD2 4.11Å; V160-F206 HydrophobicContact CG1-CE1 3.55Å; V160-F206 HydrophobicContact CG1-CE2 3.99Å; V160-F206 HydrophobicContact CG1-CG 3.95Å; V160-F206 HydrophobicContact CG1-CZ 3.72Å; V160-F206 HydrophobicContact CG2-CB 4.34Å; V160-F206 HydrophobicContact CG2-CD1 4.14Å; V160-F206 HydrophobicContact CG2-CG 4.22Å; A202-F206 PolarHBondContact O-N 2.99Å; S203-F206 WeakPolarHBondContact O-CB 3.46Å; S203-F206 PolarHBondContact O-N 3.13Å; F206-E208 VanDerWaalsContact C-N 3.27Å; F206-E208 PolarHBondContact O-N 3.4Å; F206-R209 PolarHBondContact O-N 3.44Å; F206-F210 HydrophobicContact CD1-CB 4.23Å; F206-F210 HydrophobicContact CE1-CB 3.85Å; F206-F210 HydrophobicContact CE1-CD2 4.07Å; F206-F210 HydrophobicContact CE1-CG 4.06Å; F206-F210 HydrophobicContact CZ-CB 4.31Å; F206-F210 AromaticContact CZ-CD2 3.97Å; F206-F210 HydrophobicContact CZ-CD2 3.97Å; F206-F210 HydrophobicContact CZ-CG 4.4Å; F206-F210 WeakPolarHBondContact O-CB 3.4Å; F206-F210 PolarHBondContact O-N 3.04Å
207V98.1Very high95.9Very high2 Ų244.6 Ų44.61%0.01224%0.242CC..Hα-helixtrans-54.5-45.8178.6171.80000111.2N159 L163 N184 A186 S203 K204 V205 S211N159-V207 WeakPolarHBondContact O-CG2 3.32Å; L163-V207 HydrophobicContact CD1-CB 4.28Å; L163-V207 HydrophobicContact CD1-CG1 3.63Å; L163-V207 HydrophobicContact CD1-CG2 4.01Å; N184-V207 HydrophobicContact CB-CG1 3.95Å; A186-V207 HydrophobicContact CB-CB 4.4Å; A186-V207 HydrophobicContact CB-CG1 3.98Å; S203-V207 WeakPolarHBondContact O-CG2 3.38Å; S203-V207 PolarHBondContact O-N 3.1Å; S203-V207 VanDerWaalsContact O-N 3.14Å; K204-V207 HydrophobicContact CD-CG2 4.37Å; K204-V207 PolarHBondContact O-N 2.71Å; V205-V207 PolarHBondContact O-N 3.03Å; V207-S211 WeakPolarHBondContact O-CB 3.32Å; V207-S211 PolarHBondContact O-N 2.91Å; V207-S211 VanDerWaalsContact O-N 3.07Å; V207-S211 PolarHBondContact O-OG 3.45Å
208E96.6Very high96.3Very high9 Ų945.6 Ų45.64%0.04225%0.246CC..Hα-helixtrans-61.1-55.3178-176.5176.6136.800111.6K204 V205 F206 F210 S211 Q212 A227 K266K204-E208 PolarHBondContact O-N 3.02Å; K204-E208 VanDerWaalsContact O-N 3.07Å; V205-E208 PolarHBondContact O-N 3.33Å; F206-E208 VanDerWaalsContact C-N 3.27Å; F206-E208 PolarHBondContact O-N 3.4Å; E208-F210 PolarHBondContact O-N 3.49Å; E208-S211 PolarHBondContact O-N 3.37Å; E208-Q212 WeakPolarHBondContact O-CG 3.19Å; E208-Q212 PolarHBondContact O-N 2.75Å; E208-A227 HydrophobicContact CG-CB 4.43Å; E208-K266 VanDerWaalsContact CD-CD 3.49Å; E208-K266 HydrophobicContact CG-CD 4.04Å; E208-K266 WeakPolarHBondContact OE1-CD 3.07Å; E208-K266 WeakPolarHBondContact OE1-CE 3.21Å; E208-K266 IonicContact OE1-NZ 2.93Å; E208-K266 PolarHBondContact OE1-NZ 2.63Å; E208-K266 WeakPolarHBondContact OE2-CE 3.35Å; E208-K266 IonicContact OE2-NZ 3.87Å; E208-K266 PolarHBondContact OE2-NZ 2.88Å
209R97.5Very high96.5Very high154 Ų15450.7 Ų50.758%0.58126%0.256SS*.Hα-helixtrans-64.8-41.1-176.3-65.1-54.6-175.6-159.83112.9V205 F206 S211 Q212 G213V205-R209 HydrophobicContact CG1-CG 4.19Å; V205-R209 WeakPolarHBondContact O-CG 3.34Å; V205-R209 PolarHBondContact O-N 2.94Å; F206-R209 PolarHBondContact O-N 3.44Å; R209-S211 VanDerWaalsContact C-N 3.31Å; R209-S211 PolarHBondContact O-N 3.46Å; R209-Q212 PolarHBondContact O-N 2.84Å; R209-G213 PolarHBondContact O-N 3.26Å
210F98.5Very high96.5Very high59 Ų5956.7 Ų56.726%0.25929%0.288SS..Hα-helixtrans-58.6-45.1174.3-179.7-86.9000111L163 C167 F206 E208 G213 L214L163-F210 HydrophobicContact CD2-CD1 3.28Å; L163-F210 HydrophobicContact CD2-CE1 3.44Å; L163-F210 VanDerWaalsContact CD2-CE1 3.44Å; L163-F210 HydrophobicContact CD2-CG 4.01Å; L163-F210 HydrophobicContact CD2-CZ 4.3Å; C167-F210 HydrophobicContact CB-CE1 4.49Å; F206-F210 HydrophobicContact CD1-CB 4.23Å; F206-F210 HydrophobicContact CE1-CB 3.85Å; F206-F210 HydrophobicContact CE1-CD2 4.07Å; F206-F210 HydrophobicContact CE1-CG 4.06Å; F206-F210 HydrophobicContact CZ-CB 4.31Å; F206-F210 AromaticContact CZ-CD2 3.97Å; F206-F210 HydrophobicContact CZ-CD2 3.97Å; F206-F210 HydrophobicContact CZ-CG 4.4Å; F206-F210 WeakPolarHBondContact O-CB 3.4Å; F206-F210 PolarHBondContact O-N 3.04Å; E208-F210 PolarHBondContact O-N 3.49Å; F210-G213 PolarHBondContact O-N 3.18Å; F210-L214 HydrophobicContact CE1-CD2 3.78Å; F210-L214 HydrophobicContact CZ-CD2 4.27Å; F210-L214 VanDerWaalsContact O-CB 3.27Å; F210-L214 WeakPolarHBondContact O-CB 3.49Å; F210-L214 PolarHBondContact O-N 3.24Å
211S98.4Very high96.6Very high0 Ų056.9 Ų56.90%029%0.292CS..Hα-helixtrans-65.1-42.2-179.5-55.20000112.7N184 V207 E208 R209 L214 Q215N184-S211 WeakPolarHBondContact CB-OG 3.48Å; N184-S211 PolarHBondContact ND2-OG 3.46Å; V207-S211 WeakPolarHBondContact O-CB 3.32Å; V207-S211 PolarHBondContact O-N 2.91Å; V207-S211 VanDerWaalsContact O-N 3.07Å; V207-S211 PolarHBondContact O-OG 3.45Å; E208-S211 PolarHBondContact O-N 3.37Å; R209-S211 VanDerWaalsContact C-N 3.31Å; R209-S211 PolarHBondContact O-N 3.46Å; S211-L214 PolarHBondContact O-N 3.07Å; S211-Q215 WeakPolarHBondContact O-CB 3.47Å; S211-Q215 PolarHBondContact O-N 3.3Å
212Q97.9Very high96.8Very high43 Ų4358.5 Ų58.520%0.20131%0.31CS..Hα-helixtrans-68.2-41.4179.3-64.3-172.9-70.200111.9E208 R209 Q215 A216 D265E208-Q212 WeakPolarHBondContact O-CG 3.19Å; E208-Q212 PolarHBondContact O-N 2.75Å; R209-Q212 PolarHBondContact O-N 2.84Å; Q212-Q215 PolarHBondContact O-N 2.68Å; Q212-A216 PolarHBondContact O-N 2.83Å; Q212-D265 HydrophobicContact CG-CB 4.47Å; Q212-D265 VanDerWaalsContact CG-OD2 3.32Å; Q212-D265 WeakPolarHBondContact CG-OD2 3.48Å; Q212-D265 PolarHBondContact NE2-OD2 2.92Å
213G98.3Very high96.9Very high31 Ų3155.9 Ų55.932%0.3229%0.287SS..Hα-helixtrans-59.4-50.3173.200000111.2R209 F210 Q215 A216 E217R209-G213 PolarHBondContact O-N 3.26Å; F210-G213 PolarHBondContact O-N 3.18Å; G213-Q215 VanDerWaalsContact C-N 3.34Å; G213-Q215 PolarHBondContact O-N 3.45Å; G213-A216 WeakPolarHBondContact O-CB 3.42Å; G213-A216 PolarHBondContact O-N 3.47Å; G213-E217 WeakPolarHBondContact O-CG 3.29Å; G213-E217 PolarHBondContact O-N 2.92Å
214L97.7Very high97Very high14 Ų1457.1 Ų57.17%0.07329%0.294CS..Hα-helixtrans-62.9-38.6179-160.269.9000112C167 L171 F210 S211 A216 E217 Y218 I225C167-L214 HydrophobicContact CB-CD2 4.45Å; L171-L214 HydrophobicContact CD2-CD1 4.04Å; L171-L214 HydrophobicContact CD2-CD2 4.13Å; L171-L214 HydrophobicContact CD2-CG 4.31Å; F210-L214 HydrophobicContact CE1-CD2 3.78Å; F210-L214 HydrophobicContact CZ-CD2 4.27Å; F210-L214 VanDerWaalsContact O-CB 3.27Å; F210-L214 WeakPolarHBondContact O-CB 3.49Å; F210-L214 PolarHBondContact O-N 3.24Å; S211-L214 PolarHBondContact O-N 3.07Å; L214-A216 VanDerWaalsContact C-N 3.3Å; L214-A216 PolarHBondContact O-N 3.25Å; L214-E217 PolarHBondContact O-N 3.43Å; L214-Y218 HydrophobicContact CD1-CD2 3.74Å; L214-Y218 HydrophobicContact CD1-CE2 3.46Å; L214-Y218 VanDerWaalsContact CD1-CE2 3.46Å; L214-Y218 HydrophobicContact CG-CD2 3.93Å; L214-Y218 HydrophobicContact CG-CE2 4.15Å; L214-Y218 VanDerWaalsContact O-CD2 3.31Å; L214-Y218 WeakPolarHBondContact O-CD2 3.44Å; L214-Y218 PolarHBondContact O-N 3.18Å; L214-I225 HydrophobicContact CB-CD1 4.13Å; L214-I225 HydrophobicContact CB-CG2 4.38Å; L214-I225 HydrophobicContact CD2-CD1 3.73Å; L214-I225 HydrophobicContact CD2-CG2 4.3Å; L214-I225 HydrophobicContact CG-CD1 3.57Å
215Q98.1Very high97.1Very high32 Ų3256.8 Ų56.815%0.1529%0.292CS..Hα-helixtrans-62-38173.2179.458.291.400112.1S211 Q212 G213 R219 I223 I225 D265S211-Q215 WeakPolarHBondContact O-CB 3.47Å; S211-Q215 PolarHBondContact O-N 3.3Å; Q212-Q215 PolarHBondContact O-N 2.68Å; G213-Q215 VanDerWaalsContact C-N 3.34Å; G213-Q215 PolarHBondContact O-N 3.45Å; Q215-R219 WeakPolarHBondContact O-CA 3.13Å; Q215-R219 WeakPolarHBondContact O-CB 3.44Å; Q215-R219 PolarHBondContact O-N 3.32Å; Q215-I223 PolarHBondContact NE2-O 3.43Å; Q215-I225 HydrophobicContact CB-CB 4.02Å; Q215-I225 WeakPolarHBondContact CB-O 3.46Å; Q215-I225 PolarHBondContact OE1-O 3.07Å; Q215-I225 VanDerWaalsContact OE1-O 3.11Å; Q215-D265 HydrophobicContact CB-CB 4.18Å; Q215-D265 HydrophobicContact CG-CB 3.9Å
216A97.8Very high97.2Very high75 Ų7554 Ų5462%0.6228%0.275SS*.Hα-helixtrans-67.6-39.9177.100000111.7Q212 G213 L214Q212-A216 PolarHBondContact O-N 2.83Å; G213-A216 WeakPolarHBondContact O-CB 3.42Å; G213-A216 PolarHBondContact O-N 3.47Å; L214-A216 VanDerWaalsContact C-N 3.3Å; L214-A216 PolarHBondContact O-N 3.25Å
217E97.9Very high97.2Very high141 Ų14150.1 Ų50.166%0.65926%0.258SS*.Hα-helixtrans-64-40.2177-69.4165.9-16400112.5G213 L214G213-E217 WeakPolarHBondContact O-CG 3.29Å; G213-E217 PolarHBondContact O-N 2.92Å; L214-E217 PolarHBondContact O-N 3.43Å
218Y96.9Very high97.2Very high47 Ų4750 Ų5018%0.18426%0.257CS..THydrogen-bonded Turntrans-106.317-173.8-69.2-88.2000114.1L171 E175 L214 D220 S221 I223 I225L171-Y218 HydrophobicContact CD1-CD1 4.33Å; L171-Y218 HydrophobicContact CD1-CE1 4.39Å; L171-Y218 HydrophobicContact CD2-CD2 4.07Å; L171-Y218 HydrophobicContact CD2-CE1 4.01Å; L171-Y218 HydrophobicContact CD2-CE2 3.56Å; L171-Y218 VanDerWaalsContact CD2-CZ 3.5Å; L171-Y218 HydrophobicContact CG-CE1 4.16Å; E175-Y218 HydrophobicContact CG-CE1 4.34Å; L214-Y218 HydrophobicContact CD1-CD2 3.74Å; L214-Y218 HydrophobicContact CD1-CE2 3.46Å; L214-Y218 VanDerWaalsContact CD1-CE2 3.46Å; L214-Y218 HydrophobicContact CG-CD2 3.93Å; L214-Y218 HydrophobicContact CG-CE2 4.15Å; L214-Y218 VanDerWaalsContact O-CD2 3.31Å; L214-Y218 WeakPolarHBondContact O-CD2 3.44Å; L214-Y218 PolarHBondContact O-N 3.18Å; Y218-D220 PolarHBondContact O-N 3.18Å; Y218-S221 PolarHBondContact O-N 2.89Å; Y218-S221 VanDerWaalsContact O-N 3.15Å; Y218-I223 HydrophobicContact CD1-CD1 4.3Å; Y218-I225 HydrophobicContact CD2-CD1 4.42Å
219R92.4Very high97.2Very high191 Ų19149.6 Ų49.672%0.72126%0.255SS*.THydrogen-bonded Turntrans-56.7-38.2-174.1-176.4178.5177.9171.3-1.6113.2Q215Q215-R219 WeakPolarHBondContact O-CA 3.13Å; Q215-R219 WeakPolarHBondContact O-CB 3.44Å; Q215-R219 PolarHBondContact O-N 3.32Å
220D94.1Very high97.1Very high155 Ų15542.7 Ų42.783%0.82923%0.231SC*.THydrogen-bonded Turntrans-91.9-2.9-174.3-59.6-34.5000112.9Y218 G222Y218-D220 PolarHBondContact O-N 3.18Å; D220-G222 VanDerWaalsContact C-N 3.3Å; D220-G222 PolarHBondContact O-N 2.95Å
221S95.3Very high96.8Very high21 Ų2141.5 Ų41.515%0.14723%0.225CC..THydrogen-bonded Turntrans-87.39.2-179.2-45.50000113.4N178 Y218 I223N178-S221 CarbonylContact C-O 3.51Å; N178-S221 WeakPolarHBondContact CA-O 3.28Å; N178-S221 VanDerWaalsContact O-O 3.12Å; Y218-S221 PolarHBondContact O-N 2.89Å; Y218-S221 VanDerWaalsContact O-N 3.15Å; S221-I223 PolarHBondContact O-N 3.38Å
222G95.1Very high96.4Very high43 Ų4342.2 Ų42.244%0.44323%0.233SC..THydrogen-bonded Turntrans66.414.4-176.200000114.6D220D220-G222 VanDerWaalsContact C-N 3.3Å; D220-G222 PolarHBondContact O-N 2.95Å
223I98.3Very high96.2Very high3 Ų340.4 Ų40.42%0.01523%0.225CC..EExtended strand (participates in β ladder)trans-99.6130.7-179.5-56.2170.8000109.5L171 M174 E175 G180 Q215 Y218 S221 I225L171-I223 HydrophobicContact CD1-CD1 3.71Å; L171-I223 HydrophobicContact CD1-CG2 4.32Å; M174-I223 HydrophobicContact CB-CD1 3.82Å; M174-I223 HydrophobicContact CB-CG1 4.21Å; E175-I223 HydrophobicContact CB-CD1 4.23Å; G180-I223 WeakPolarHBondContact O-CA 3.22Å; Q215-I223 PolarHBondContact NE2-O 3.43Å; Y218-I223 HydrophobicContact CD1-CD1 4.3Å; S221-I223 PolarHBondContact O-N 3.38Å; I223-I225 HydrophobicContact CG2-CD1 4.14Å; I223-I225 HydrophobicContact CG2-CG1 3.75Å
224I98.3Very high95.8Very high31 Ų3139.9 Ų39.916%0.15922%0.216CC..EExtended strand (participates in β ladder)trans-97.6122.4173.4-64.5163.1000108.2F42 G180 V181 I182 V261 R262F42-I224 HydrophobicContact CE2-CD1 4.4Å; F42-I224 HydrophobicContact CZ-CD1 3.71Å; G180-I224 PolarHBondContact O-N 3.25Å; V181-I224 CarbonylContact C-O 3.55Å; V181-I224 VanDerWaalsContact CA-O 3.26Å; V181-I224 WeakPolarHBondContact CA-O 3.3Å; V181-I224 HydrophobicContact CG1-CG2 4.49Å; V181-I224 HydrophobicContact CG2-CB 4.36Å; V181-I224 HydrophobicContact CG2-CD1 4.48Å; I182-I224 PolarHBondContact N-O 3Å; I224-V261 HydrophobicContact CG2-CG2 4.34Å; I224-V261 VanDerWaalsContact CG2-O 3.31Å; I224-V261 WeakPolarHBondContact CG2-O 3.42Å; I224-R262 HydrophobicContact CD1-CG 4.1Å
225I98.6Very high95.4Very high0 Ų040.1 Ų40.10%022%0.218CC..EExtended strand (participates in β ladder)trans-124113.9177.2-51.9-176.7000107.1L171 I182 L214 Q215 Y218 I223L171-I225 HydrophobicContact CD1-CD1 4.44Å; I182-I225 HydrophobicContact CB-CB 4.47Å; I182-I225 HydrophobicContact CB-CG1 4.21Å; I182-I225 HydrophobicContact CB-CG2 4.2Å; I182-I225 HydrophobicContact CD1-CD1 4.31Å; I182-I225 HydrophobicContact CD1-CG1 4.37Å; I182-I225 HydrophobicContact CG1-CG1 4.48Å; I182-I225 HydrophobicContact CG2-CG2 4.34Å; I182-I225 CarbonylContact O-C 3.59Å; I182-I225 WeakPolarHBondContact O-CA 3.36Å; L214-I225 HydrophobicContact CB-CD1 4.13Å; L214-I225 HydrophobicContact CB-CG2 4.38Å; L214-I225 HydrophobicContact CD2-CD1 3.73Å; L214-I225 HydrophobicContact CD2-CG2 4.3Å; L214-I225 HydrophobicContact CG-CD1 3.57Å; Q215-I225 HydrophobicContact CB-CB 4.02Å; Q215-I225 WeakPolarHBondContact CB-O 3.46Å; Q215-I225 PolarHBondContact OE1-O 3.07Å; Q215-I225 VanDerWaalsContact OE1-O 3.11Å; Y218-I225 HydrophobicContact CD2-CD1 4.42Å; I223-I225 HydrophobicContact CG2-CD1 4.14Å; I223-I225 HydrophobicContact CG2-CG1 3.75Å
226Q98.2Very high94.7Very high1 Ų145.5 Ų45.51%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-128.8127.4-171.2-178.3175.380.100111.5I182 N184 V228 Y260 V261 G264 D265 I267I182-Q226 PolarHBondContact O-N 2.92Å; N184-Q226 PolarHBondContact N-O 3.23Å; Q226-V228 HydrophobicContact CG-CG2 4.21Å; Q226-Y260 PolarHBondContact NE2-O 3.41Å; Q226-V261 PolarHBondContact NE2-O 2.84Å; Q226-G264 PolarHBondContact NE2-O 3.44Å; Q226-D265 CarbonylContact C-O 3.56Å; Q226-D265 WeakPolarHBondContact CA-O 3.29Å; Q226-I267 HydrophobicContact CG-CG1 4.15Å
227A98.3Very high93.9Very high0 Ų045.3 Ų45.30%023%0.225CC..EExtended strand (participates in β ladder)trans-80.2123.9163.300000110.3N184 E208 D265 K266 I267N184-A227 CarbonylContact O-C 3.38Å; N184-A227 WeakPolarHBondContact O-CA 3.19Å; E208-A227 HydrophobicContact CG-CB 4.43Å; A227-D265 PolarHBondContact N-O 3.01Å; A227-K266 WeakPolarHBondContact O-CA 3.46Å; A227-I267 PolarHBondContact O-N 3.09Å
228V98.1Very high92.9Very high0 Ų040.1 Ų40.10%021%0.206CC..EExtended strand (participates in β ladder)trans-108.1116.7173.1-178.50000108.8I183 N184 V185 A186 Q226 P230 F253 I267I183-V228 HydrophobicContact CG2-CB 4.42Å; I183-V228 HydrophobicContact CG2-CG2 3.64Å; N184-V228 PolarHBondContact O-N 3.19Å; V185-V228 CarbonylContact C-O 3.51Å; A186-V228 WeakPolarHBondContact CA-O 3.45Å; A186-V228 PolarHBondContact N-O 3.43Å; Q226-V228 HydrophobicContact CG-CG2 4.21Å; V228-P230 VanDerWaalsContact C-CD 3.46Å; V228-P230 WeakPolarHBondContact O-CD 3.2Å; V228-F253 HydrophobicContact CG1-CE1 4.23Å; V228-F253 HydrophobicContact CG1-CZ 3.73Å; V228-I267 CarbonylContact C-O 3.53Å; V228-I267 WeakPolarHBondContact CA-O 3.28Å; V228-I267 HydrophobicContact CB-CG1 4.44Å; V228-I267 HydrophobicContact CG1-CG1 4.4Å; V228-I267 HydrophobicContact CG2-CD1 4.1Å; V228-I267 HydrophobicContact CG2-CG1 3.89Å
229A96.4Very high91.8Very high0 Ų039 Ų390%021%0.209CC..  trans-109.679-175.200000111.6A186 I267 N268A186-A229 HydrophobicContact CB-CB 4.3Å; A229-I267 PolarHBondContact N-O 3.41Å; A229-N268 WeakPolarHBondContact O-CA 3.34Å; A229-N268 PolarHBondContact O-ND2 2.93Å
230P95.3Very high91.3Very high9 Ų936.1 Ų36.16%0.05820%0.201CC..  trans-67.3145.217926.7-34000112.4I59 V185 G188 V228 V233 F253I59-P230 HydrophobicContact CD1-CB 4.36Å; I59-P230 HydrophobicContact CD1-CG 4.08Å; V185-P230 HydrophobicContact CG1-CG 4.13Å; G188-P230 PolarHBondContact N-O 3.14Å; V228-P230 VanDerWaalsContact C-CD 3.46Å; V228-P230 WeakPolarHBondContact O-CD 3.2Å; P230-V233 HydrophobicContact CB-CG2 4.02Å; P230-F253 HydrophobicContact CB-CE1 4.12Å; P230-F253 HydrophobicContact CB-CE2 3.87Å; P230-F253 HydrophobicContact CB-CZ 3.58Å; P230-F253 HydrophobicContact CG-CZ 4.37Å
231F92.5Very high90.4Very high34 Ų3431.4 Ų31.415%0.14917%0.174CC..  trans-90.1-132.2158.9-67.4-87.4000109.9F192 V233 N268 H273 L276 A277 L280F192-F231 HydrophobicContact CE1-CE1 4.32Å; F231-V233 PolarHBondContact O-N 3.24Å; F231-V233 VanDerWaalsContact O-N 3.12Å; F231-N268 WeakPolarHBondContact CE2-ND2 3.43Å; F231-H273 HydrophobicContact CD2-CB 3.8Å; F231-H273 AromaticContact CD2-CG 3.99Å; F231-H273 WeakPolarHBondContact CD2-O 3.34Å; F231-H273 WeakPolarHBondContact CE2-O 3.38Å; F231-H273 PolarHBondContact N-CE1 3.3Å; F231-H273 VanDerWaalsContact N-CE1 3.3Å; F231-H273 PolarHBondContact N-ND1 3.16Å; F231-L276 HydrophobicContact CB-CD2 3.93Å; F231-L276 HydrophobicContact CD1-CD2 3.82Å; F231-L276 HydrophobicContact CD1-CG 4.31Å; F231-L276 HydrophobicContact CD2-CB 4.45Å; F231-L276 HydrophobicContact CD2-CD2 4.17Å; F231-L276 HydrophobicContact CD2-CG 4.48Å; F231-L276 HydrophobicContact CE1-CD2 4.38Å; F231-L276 HydrophobicContact CE1-CG 4.4Å; F231-L276 HydrophobicContact CE2-CB 4.49Å; F231-L276 HydrophobicContact CG-CD2 3.7Å; F231-L276 HydrophobicContact CG-CG 4.36Å; F231-A277 HydrophobicContact CE2-CB 3.73Å; F231-A277 HydrophobicContact CZ-CB 3.83Å; F231-L280 HydrophobicContact CD1-CD1 4.37Å; F231-L280 HydrophobicContact CE1-CD1 3.69Å; F231-L280 HydrophobicContact CZ-CD1 4.31Å
232G89.8Confident89.7Confident15 Ų1539.3 Ų39.316%0.15521%0.206CC..  trans-60.1114.6-174.300000112.3T247 L248 H273G232-T247 CarbonylContact O-C 3.52Å; G232-T247 VanDerWaalsContact O-CA 3.32Å; G232-T247 WeakPolarHBondContact O-CA 3.25Å; G232-L248 PolarHBondContact O-N 3.42Å; G232-H273 PolarHBondContact O-NE2 3.25Å
233V92.2Very high89.3Confident6 Ų640.7 Ų40.74%0.03621%0.206CC..BIsolated β-bridgetrans-131.2125.9168.1-173.90000108.2I59 P230 F231 T235 A238 L248 P250 F253I59-V233 HydrophobicContact CD1-CB 4.1Å; I59-V233 HydrophobicContact CD1-CG1 4.17Å; I59-V233 HydrophobicContact CD1-CG2 4.02Å; I59-V233 HydrophobicContact CG1-CB 4.35Å; I59-V233 HydrophobicContact CG1-CG1 3.87Å; P230-V233 HydrophobicContact CB-CG2 4.02Å; F231-V233 PolarHBondContact O-N 3.24Å; F231-V233 VanDerWaalsContact O-N 3.12Å; V233-T235 VanDerWaalsContact C-N 3.35Å; V233-T235 HydrophobicContact CB-CG2 4.32Å; V233-T235 HydrophobicContact CG1-CG2 3.94Å; V233-T235 PolarHBondContact O-N 3.28Å; V233-T235 PolarHBondContact O-OG1 3.44Å; V233-A238 WeakPolarHBondContact O-CB 3.18Å; V233-L248 CarbonylContact C-O 3.58Å; V233-L248 WeakPolarHBondContact CA-O 3.44Å; V233-P250 HydrophobicContact CG1-CB 4.12Å; V233-P250 HydrophobicContact CG1-CG 3.88Å; V233-F253 HydrophobicContact CG2-CB 4.33Å; V233-F253 HydrophobicContact CG2-CD1 4.33Å; V233-F253 HydrophobicContact CG2-CD2 4.13Å; V233-F253 HydrophobicContact CG2-CG 3.98Å
234S91.1Very high88.9Confident20 Ų2044.9 Ų44.914%0.1423%0.229CC..  trans-68.390.5-177.9179.50000110.7Q241 L248 P250S234-Q241 WeakPolarHBondContact CB-O 3.33Å; S234-Q241 PolarHBondContact OG-O 3.38Å; S234-Q241 VanDerWaalsContact OG-O 3.14Å; S234-L248 PolarHBondContact N-O 3.18Å; S234-P250 WeakPolarHBondContact O-CD 3.36Å; S234-P250 WeakPolarHBondContact O-CG 3.06Å
235T88.5Confident88.2Confident19 Ų1951.6 Ų51.612%0.11726%0.261CS..SBendtrans-127.1167.3179.562.80000110.2I59 V233 M237 A238 G239 F240 P250I59-T235 HydrophobicContact CG1-CG2 4.25Å; V233-T235 VanDerWaalsContact C-N 3.35Å; V233-T235 HydrophobicContact CB-CG2 4.32Å; V233-T235 HydrophobicContact CG1-CG2 3.94Å; V233-T235 PolarHBondContact O-N 3.28Å; V233-T235 PolarHBondContact O-OG1 3.44Å; T235-M237 VanDerWaalsContact C-N 3.26Å; T235-M237 PolarHBondContact O-N 3.49Å; T235-A238 CarbonylContact O-C 3.57Å; T235-A238 PolarHBondContact O-N 3.34Å; T235-A238 VanDerWaalsContact O-N 3.17Å; T235-A238 PolarHBondContact OG1-N 3.37Å; T235-G239 PolarHBondContact O-N 3.3Å; T235-G239 VanDerWaalsContact O-N 3.15Å; T235-F240 PolarHBondContact O-N 2.99Å; T235-P250 HydrophobicContact CG2-CG 4.15Å
236R83.8Confident87.6Confident144 Ų14454.1 Ų54.154%0.54328%0.277SS..THydrogen-bonded Turntrans-57.3-40.3171.9-172.6-174.7-56.6178.69.6112.3E57 A238 G239 F240E57-R236 VanDerWaalsContact CD-NH2 3.32Å; E57-R236 WeakPolarHBondContact OE1-CB 3.18Å; E57-R236 WeakPolarHBondContact OE1-CD 3.36Å; E57-R236 IonicContact OE1-CZ 2.84Å; E57-R236 IonicContact OE1-NE 2.71Å; E57-R236 PolarHBondContact OE1-NE 3.12Å; E57-R236 IonicContact OE1-NH1 2.76Å; E57-R236 IonicContact OE1-NH2 2.68Å; E57-R236 VanDerWaalsContact OE2-CB 3.29Å; E57-R236 WeakPolarHBondContact OE2-CB 3.42Å; E57-R236 IonicContact OE2-CZ 2.73Å; E57-R236 IonicContact OE2-NE 3.65Å; E57-R236 PolarHBondContact OE2-NE 3.22Å; E57-R236 IonicContact OE2-NH2 2.85Å; E57-R236 PolarHBondContact OE2-NH2 3.29Å; R236-A238 VanDerWaalsContact C-N 3.28Å; R236-A238 PolarHBondContact O-N 3.36Å; R236-G239 WeakPolarHBondContact O-CA 3.3Å; R236-G239 PolarHBondContact O-N 3.48Å; R236-F240 HydrophobicContact CB-CE1 4.48Å; R236-F240 HydrophobicContact CB-CE2 3.86Å; R236-F240 HydrophobicContact CB-CZ 3.72Å; R236-F240 HydrophobicContact CG-CE2 4Å; R236-F240 HydrophobicContact CG-CZ 4.28Å
237M81.1Confident87.2Confident72 Ų7254.7 Ų54.736%0.35528%0.28SS..THydrogen-bonded Turntrans-58.8-41177.4-176.1-176.2-69.200111.7G132 L134 T235 G239G132-M237 WeakPolarHBondContact O-CE 3.41Å; L134-M237 HydrophobicContact CD1-CG 3.59Å; L134-M237 HydrophobicContact CD1-SD 4.49Å; L134-M237 HydrophobicContact CD2-CG 4.49Å; L134-M237 HydrophobicContact CD2-SD 4.38Å; L134-M237 HydrophobicContact CG-CG 3.71Å; L134-M237 HydrophobicContact CG-SD 4.03Å; T235-M237 VanDerWaalsContact C-N 3.26Å; T235-M237 PolarHBondContact O-N 3.49Å; M237-G239 PolarHBondContact O-N 2.78Å
238A76Confident87Confident32 Ų3255.4 Ų55.426%0.26428%0.284SS..THydrogen-bonded Turntrans-80.51.817500000113.5V233 T235 R236 Q241V233-A238 WeakPolarHBondContact O-CB 3.18Å; T235-A238 CarbonylContact O-C 3.57Å; T235-A238 PolarHBondContact O-N 3.34Å; T235-A238 VanDerWaalsContact O-N 3.17Å; T235-A238 PolarHBondContact OG1-N 3.37Å; R236-A238 VanDerWaalsContact C-N 3.28Å; R236-A238 PolarHBondContact O-N 3.36Å; A238-Q241 WeakPolarHBondContact O-CG 3.49Å
239G75.6Confident86.9Confident24 Ų2459.8 Ų59.825%0.24731%0.307CS..THydrogen-bonded Turntrans67.736.4-17700000113.7T235 R236 M237 Q241T235-G239 PolarHBondContact O-N 3.3Å; T235-G239 VanDerWaalsContact O-N 3.15Å; R236-G239 WeakPolarHBondContact O-CA 3.3Å; R236-G239 PolarHBondContact O-N 3.48Å; M237-G239 PolarHBondContact O-N 2.78Å; G239-Q241 VanDerWaalsContact C-N 3.3Å; G239-Q241 PolarHBondContact O-N 3.08Å
240F80.3Confident86.9Confident129 Ų12960.1 Ų60.157%0.56631%0.309SS*.  trans48.948.6178.2-61.4-74.5000112.9T235 R236 K242T235-F240 PolarHBondContact O-N 2.99Å; R236-F240 HydrophobicContact CB-CE1 4.48Å; R236-F240 HydrophobicContact CB-CE2 3.86Å; R236-F240 HydrophobicContact CB-CZ 3.72Å; R236-F240 HydrophobicContact CG-CE2 4Å; R236-F240 HydrophobicContact CG-CZ 4.28Å; F240-K242 PolarHBondContact O-N 3.38Å
241Q76.2Confident87Confident56 Ų5663.4 Ų63.426%0.26232%0.324SS..PPolyproline II helixtrans-53133.8175.1-80.7174.7-36.100110.9S234 A238 G239 T243 T247 Y300S234-Q241 WeakPolarHBondContact CB-O 3.33Å; S234-Q241 PolarHBondContact OG-O 3.38Å; S234-Q241 VanDerWaalsContact OG-O 3.14Å; A238-Q241 WeakPolarHBondContact O-CG 3.49Å; G239-Q241 VanDerWaalsContact C-N 3.3Å; G239-Q241 PolarHBondContact O-N 3.08Å; Q241-T243 PolarHBondContact O-N 3.37Å; Q241-T247 HydrophobicContact CB-CG2 3.97Å; Q241-Y300 PolarHBondContact NE2-OH 3.17Å; Q241-Y300 VanDerWaalsContact NE2-OH 3.08Å
242K80.8Confident87.2Confident188 Ų18867.2 Ų67.282%0.81734%0.338SS*.PPolyproline II helixtrans-57.1133.7178.1-158.8175-175-179.50109.9F240 N244F240-K242 PolarHBondContact O-N 3.38Å; K242-N244 PolarHBondContact O-ND2 2.91Å
243T87.3Confident87.6Confident72 Ų7266.5 Ų66.544%0.44233%0.33SS..PPolyproline II helixtrans-66.4145.9-177.5510000111.2Q241 T247 L249Q241-T243 PolarHBondContact O-N 3.37Å; T243-T247 CarbonylContact C-O 3.48Å; T243-T247 WeakPolarHBondContact CA-O 3.42Å; T243-T247 WeakPolarHBondContact CB-O 3.49Å; T243-L249 HydrophobicContact CG2-CD2 3.65Å; T243-L249 HydrophobicContact CG2-CG 3.87Å
244N89.3Confident87.9Confident91 Ų9166.2 Ų66.249%0.48733%0.329SS..  trans-156.9-166.5178.462.659.9000109.4K242 V246 T247K242-N244 PolarHBondContact O-ND2 2.91Å; N244-V246 PolarHBondContact O-N 3Å; N244-V246 WeakPolarHBondContact OD1-CA 3.49Å; N244-V246 PolarHBondContact OD1-N 3.41Å; N244-T247 PolarHBondContact N-O 3.4Å; N244-T247 PolarHBondContact ND2-OG1 3.43Å; N244-T247 VanDerWaalsContact O-O 3.1Å; N244-T247 PolarHBondContact OD1-N 3.49Å
245M84.2Confident88.1Confident172 Ų17269.8 Ų69.885%0.84734%0.343SS*.SBendtrans-60.6-25.5-178.9-63.9-170.7-66.800114.3
246V84.5Confident88.4Confident53 Ų5372 Ų7232%0.32135%0.351SS..SBendtrans-107.9-38.9-179.9177.10000111.2N244 L248 H273 L276N244-V246 PolarHBondContact O-N 3Å; N244-V246 WeakPolarHBondContact OD1-CA 3.49Å; N244-V246 PolarHBondContact OD1-N 3.41Å; V246-L248 PolarHBondContact O-N 3.46Å; V246-H273 PolarHBondContact O-NE2 3.04Å; V246-L276 HydrophobicContact CG1-CD2 3.48Å; V246-L276 VanDerWaalsContact CG1-CD2 3.48Å
247T90.5Very high89.1Confident12 Ų1265.2 Ų65.27%0.07433%0.326CS..SBendtrans-87.1105.8178.5-55.60000110.6G232 Q241 T243 N244G232-T247 CarbonylContact O-C 3.52Å; G232-T247 VanDerWaalsContact O-CA 3.32Å; G232-T247 WeakPolarHBondContact O-CA 3.25Å; Q241-T247 HydrophobicContact CB-CG2 3.97Å; T243-T247 CarbonylContact C-O 3.48Å; T243-T247 WeakPolarHBondContact CA-O 3.42Å; T243-T247 WeakPolarHBondContact CB-O 3.49Å; N244-T247 PolarHBondContact N-O 3.4Å; N244-T247 PolarHBondContact ND2-OG1 3.43Å; N244-T247 VanDerWaalsContact O-O 3.1Å; N244-T247 PolarHBondContact OD1-N 3.49Å
248L94.1Very high89.8Confident16 Ų1661.9 Ų61.98%0.08431%0.309CS..BIsolated β-bridgetrans-96.3159.2-173.6-56.2-179.6000112.9G232 V233 S234 V246 Y252 F253 T270G232-L248 PolarHBondContact O-N 3.42Å; V233-L248 CarbonylContact C-O 3.58Å; V233-L248 WeakPolarHBondContact CA-O 3.44Å; S234-L248 PolarHBondContact N-O 3.18Å; V246-L248 PolarHBondContact O-N 3.46Å; L248-Y252 HydrophobicContact CB-CD1 4.47Å; L248-Y252 HydrophobicContact CD1-CD1 4.15Å; L248-Y252 HydrophobicContact CD1-CE1 4.33Å; L248-Y252 HydrophobicContact CD2-CD1 4.22Å; L248-Y252 HydrophobicContact CD2-CE1 4.3Å; L248-F253 HydrophobicContact CB-CB 4.33Å; L248-F253 HydrophobicContact CD1-CB 4.48Å; L248-F253 HydrophobicContact CD1-CD2 4.31Å; L248-T270 HydrophobicContact CD1-CG2 3.6Å
249L95.9Very high90.8Very high91 Ų9163 Ų6348%0.47631%0.309SS..  trans-69.2143.3163.8-70.4174.1000110.1T243 E251 Y252 F253T243-L249 HydrophobicContact CG2-CD2 3.65Å; T243-L249 HydrophobicContact CG2-CG 3.87Å; L249-E251 VanDerWaalsContact C-N 3.3Å; L249-E251 PolarHBondContact O-N 3.18Å; L249-Y252 PolarHBondContact O-N 3.48Å; L249-F253 WeakPolarHBondContact O-CB 3.07Å; L249-F253 PolarHBondContact O-N 3.3Å
250P96.9Very high91.8Very high7 Ų762.4 Ų62.45%0.04530%0.3CS..Hα-helixtrans-54.1-43.8177.9-2533.1000113.6A62 V233 S234 T235 F253 V254A62-P250 HydrophobicContact CB-CB 3.9Å; V233-P250 HydrophobicContact CG1-CB 4.12Å; V233-P250 HydrophobicContact CG1-CG 3.88Å; S234-P250 WeakPolarHBondContact O-CD 3.36Å; S234-P250 WeakPolarHBondContact O-CG 3.06Å; T235-P250 HydrophobicContact CG2-CG 4.15Å; P250-F253 PolarHBondContact O-N 3.09Å; P250-V254 WeakPolarHBondContact O-CB 3.45Å; P250-V254 WeakPolarHBondContact O-CG2 3.43Å; P250-V254 PolarHBondContact O-N 3.02Å
251E96.7Very high92.5Very high79 Ų7956.3 Ų56.337%0.36927%0.273SS..Hα-helixtrans-63.6-47.4-177.3-61.271.1-153.800110.6A62 L249 V254 Q255A62-E251 HydrophobicContact CB-CG 4.49Å; L249-E251 VanDerWaalsContact C-N 3.3Å; L249-E251 PolarHBondContact O-N 3.18Å; E251-V254 PolarHBondContact O-N 3.43Å; E251-Q255 WeakPolarHBondContact O-CB 3.26Å; E251-Q255 VanDerWaalsContact O-CG 3.27Å; E251-Q255 WeakPolarHBondContact O-CG 3.45Å; E251-Q255 PolarHBondContact O-N 3.03Å
252Y96.6Very high93.4Very high114 Ų11460.1 Ų60.145%0.44729%0.285SS..Hα-helixtrans-63.2-45.1176.9-178-97.6000111.6L248 L249 V254 Q255 K256L248-Y252 HydrophobicContact CB-CD1 4.47Å; L248-Y252 HydrophobicContact CD1-CD1 4.15Å; L248-Y252 HydrophobicContact CD1-CE1 4.33Å; L248-Y252 HydrophobicContact CD2-CD1 4.22Å; L248-Y252 HydrophobicContact CD2-CE1 4.3Å; L249-Y252 PolarHBondContact O-N 3.48Å; Y252-V254 PolarHBondContact O-N 3.21Å; Y252-Q255 PolarHBondContact O-N 2.92Å; Y252-K256 HydrophobicContact CD1-CG 4.45Å; Y252-K256 HydrophobicContact CE1-CG 4.07Å; Y252-K256 HydrophobicContact CE2-CG 4.3Å; Y252-K256 WeakPolarHBondContact O-CG 3.39Å; Y252-K256 PolarHBondContact O-N 3.15Å; Y252-K256 VanDerWaalsContact O-N 3.14Å; Y252-K256 WeakPolarHBondContact OH-CE 3.36Å
253F97.8Very high93.9Very high0 Ų052.8 Ų52.80%026%0.259CS..Hα-helixtrans-57.3-51.2177.6171.8-97.1000111.4I59 V228 P230 V233 L248 L249 P250 K256 S257 N268 T270 H273I59-F253 HydrophobicContact CD1-CD1 4.48Å; I59-F253 HydrophobicContact CD1-CE1 4.44Å; I59-F253 HydrophobicContact CG1-CD1 4.44Å; I59-F253 HydrophobicContact CG2-CE1 4.49Å; V228-F253 HydrophobicContact CG1-CE1 4.23Å; V228-F253 HydrophobicContact CG1-CZ 3.73Å; P230-F253 HydrophobicContact CB-CE1 4.12Å; P230-F253 HydrophobicContact CB-CE2 3.87Å; P230-F253 HydrophobicContact CB-CZ 3.58Å; P230-F253 HydrophobicContact CG-CZ 4.37Å; V233-F253 HydrophobicContact CG2-CB 4.33Å; V233-F253 HydrophobicContact CG2-CD1 4.33Å; V233-F253 HydrophobicContact CG2-CD2 4.13Å; V233-F253 HydrophobicContact CG2-CG 3.98Å; L248-F253 HydrophobicContact CB-CB 4.33Å; L248-F253 HydrophobicContact CD1-CB 4.48Å; L248-F253 HydrophobicContact CD1-CD2 4.31Å; L249-F253 WeakPolarHBondContact O-CB 3.07Å; L249-F253 PolarHBondContact O-N 3.3Å; P250-F253 PolarHBondContact O-N 3.09Å; F253-K256 PolarHBondContact O-N 2.91Å; F253-S257 VanDerWaalsContact O-CB 3.31Å; F253-S257 WeakPolarHBondContact O-CB 3.43Å; F253-S257 PolarHBondContact O-N 2.84Å; F253-N268 WeakPolarHBondContact CE2-O 3.34Å; F253-T270 HydrophobicContact CD2-CG2 3.82Å; F253-T270 HydrophobicContact CE2-CG2 4.26Å; F253-H273 AromaticContact CD2-CE1 3.87Å; F253-H273 AromaticContact CD2-ND1 3.89Å; F253-H273 AromaticContact CE2-CE1 3.94Å; F253-H273 AromaticContact CE2-ND1 3.58Å
254V98.1Very high94.1Very high0 Ų050.9 Ų50.90%025%0.254CS..Hα-helixtrans-65.3-44.9-178.4167.50000111.7I59 A62 Y63 A66 P250 E251 Y252 K256 S257 L258I59-V254 HydrophobicContact CG2-CG2 4.09Å; A62-V254 HydrophobicContact CB-CB 4.05Å; A62-V254 HydrophobicContact CB-CG2 3.65Å; Y63-V254 HydrophobicContact CD1-CG1 3.59Å; Y63-V254 HydrophobicContact CD1-CG2 4.43Å; Y63-V254 HydrophobicContact CD2-CG1 4.3Å; Y63-V254 HydrophobicContact CD2-CG2 3.64Å; Y63-V254 HydrophobicContact CE1-CG1 3.84Å; Y63-V254 HydrophobicContact CE1-CG2 4.49Å; Y63-V254 HydrophobicContact CE2-CG2 3.73Å; Y63-V254 HydrophobicContact CG-CG1 3.83Å; Y63-V254 HydrophobicContact CG-CG2 4Å; A66-V254 HydrophobicContact CB-CG1 3.64Å; P250-V254 WeakPolarHBondContact O-CB 3.45Å; P250-V254 WeakPolarHBondContact O-CG2 3.43Å; P250-V254 PolarHBondContact O-N 3.02Å; E251-V254 PolarHBondContact O-N 3.43Å; Y252-V254 PolarHBondContact O-N 3.21Å; V254-K256 PolarHBondContact O-N 3.03Å; V254-S257 PolarHBondContact O-N 2.67Å; V254-S257 VanDerWaalsContact O-N 3.16Å; V254-L258 HydrophobicContact CG1-CD1 3.99Å; V254-L258 HydrophobicContact CG1-CG 4.29Å; V254-L258 WeakPolarHBondContact O-CG 3.47Å; V254-L258 PolarHBondContact O-N 3.5Å
255Q96.2Very high94.3Very high94 Ų9449.5 Ų49.544%0.43925%0.246SC..Hα-helixtrans-56.7-39.1178.4-78.9-178700112E251 Y252E251-Q255 WeakPolarHBondContact O-CB 3.26Å; E251-Q255 VanDerWaalsContact O-CG 3.27Å; E251-Q255 WeakPolarHBondContact O-CG 3.45Å; E251-Q255 PolarHBondContact O-N 3.03Å; Y252-Q255 PolarHBondContact O-N 2.92Å
256K95.8Very high94.8Very high67 Ų6743.7 Ų43.729%0.29122%0.216SC..Hα-helixtrans-74.7-45175-65.3-60.4-178.11790111.8Y252 F253 V254 L258 Q259 Y260 G269 T270Y252-K256 HydrophobicContact CD1-CG 4.45Å; Y252-K256 HydrophobicContact CE1-CG 4.07Å; Y252-K256 HydrophobicContact CE2-CG 4.3Å; Y252-K256 WeakPolarHBondContact O-CG 3.39Å; Y252-K256 PolarHBondContact O-N 3.15Å; Y252-K256 VanDerWaalsContact O-N 3.14Å; Y252-K256 WeakPolarHBondContact OH-CE 3.36Å; F253-K256 PolarHBondContact O-N 2.91Å; V254-K256 PolarHBondContact O-N 3.03Å; K256-L258 VanDerWaalsContact C-N 3.3Å; K256-L258 PolarHBondContact O-N 3.42Å; K256-Q259 VanDerWaalsContact O-CB 3.29Å; K256-Q259 WeakPolarHBondContact O-CB 3.43Å; K256-Q259 PolarHBondContact O-N 3.03Å; K256-Y260 WeakPolarHBondContact O-CD2 3.46Å; K256-Y260 WeakPolarHBondContact O-CE2 3.26Å; K256-G269 CarbonylContact C-O 3.22Å; K256-T270 HydrophobicContact CB-CG2 3.9Å
257S97.2Very high95.3Very high1 Ų141.6 Ų41.61%0.00720%0.204CC..Hα-helixtrans-56.3-43.5-179.3-169.30000112.2Y63 F253 V254 Q259 Y260 G269Y63-S257 PolarHBondContact OH-OG 2.99Å; F253-S257 VanDerWaalsContact O-CB 3.31Å; F253-S257 WeakPolarHBondContact O-CB 3.43Å; F253-S257 PolarHBondContact O-N 2.84Å; V254-S257 PolarHBondContact O-N 2.67Å; V254-S257 VanDerWaalsContact O-N 3.16Å; S257-Q259 PolarHBondContact O-N 2.86Å; S257-Q259 VanDerWaalsContact O-N 3.14Å; S257-Y260 PolarHBondContact O-N 2.96Å; S257-G269 WeakPolarHBondContact CA-O 3.41Å; S257-G269 PolarHBondContact N-O 3.44Å; S257-G269 VanDerWaalsContact N-O 3.16Å; S257-G269 WeakPolarHBondContact OG-CA 3.43Å
258L97.1Very high95.5Very high1 Ų141.7 Ų41.71%0.00520%0.203CC..G310 helixtrans-62.2-21.5178.4-72.9174.3000113.7L38 F43 Y63 A66 L67 I183 V254 K256 Y260L38-L258 WeakPolarHBondContact CD1-O 3.45Å; F43-L258 HydrophobicContact CE1-CD2 3.97Å; F43-L258 HydrophobicContact CZ-CB 4.26Å; F43-L258 HydrophobicContact CZ-CD2 3.72Å; F43-L258 HydrophobicContact CZ-CG 4.46Å; Y63-L258 HydrophobicContact CD1-CD1 4.48Å; Y63-L258 HydrophobicContact CD1-CD2 4.1Å; Y63-L258 HydrophobicContact CD1-CG 4.35Å; Y63-L258 HydrophobicContact CE1-CD2 3.63Å; Y63-L258 HydrophobicContact CE1-CG 3.91Å; A66-L258 HydrophobicContact CB-CD1 3.76Å; L67-L258 HydrophobicContact CD2-CD2 4.37Å; I183-L258 HydrophobicContact CD1-CD2 3.9Å; V254-L258 HydrophobicContact CG1-CD1 3.99Å; V254-L258 HydrophobicContact CG1-CG 4.29Å; V254-L258 WeakPolarHBondContact O-CG 3.47Å; V254-L258 PolarHBondContact O-N 3.5Å; K256-L258 VanDerWaalsContact C-N 3.3Å; K256-L258 PolarHBondContact O-N 3.42Å; L258-Y260 PolarHBondContact O-N 2.82Å
259Q95.6Very high95.5Very high57 Ų5740.9 Ų40.927%0.26620%0.199SC..G310 helixtrans-71.6-20.5174.6-59.4178.6-2.400112.4P32 K256 S257P32-Q259 HydrophobicContact CB-CB 4.32Å; K256-Q259 VanDerWaalsContact O-CB 3.29Å; K256-Q259 WeakPolarHBondContact O-CB 3.43Å; K256-Q259 PolarHBondContact O-N 3.03Å; S257-Q259 PolarHBondContact O-N 2.86Å; S257-Q259 VanDerWaalsContact O-N 3.14Å
260Y96.1Very high95.4Very high11 Ų1136.9 Ų36.94%0.04318%0.178CC..G310 helixtrans-104.514.3-178.2-58.5-75.9000112.7M29 P32 F36 Q226 K256 S257 L258 R262 A263M29-Y260 HydrophobicContact CB-CE1 4.18Å; M29-Y260 HydrophobicContact CE-CD1 4.4Å; M29-Y260 HydrophobicContact CE-CE1 4.35Å; M29-Y260 PolarHBondContact O-OH 2.99Å; P32-Y260 HydrophobicContact CB-CD1 4.15Å; P32-Y260 HydrophobicContact CB-CE1 3.59Å; P32-Y260 HydrophobicContact CG-CE1 4.1Å; F36-Y260 HydrophobicContact CD2-CD1 4.01Å; F36-Y260 HydrophobicContact CD2-CE1 4.48Å; F36-Y260 HydrophobicContact CE2-CD1 4.15Å; Q226-Y260 PolarHBondContact NE2-O 3.41Å; K256-Y260 WeakPolarHBondContact O-CD2 3.46Å; K256-Y260 WeakPolarHBondContact O-CE2 3.26Å; S257-Y260 PolarHBondContact O-N 2.96Å; L258-Y260 PolarHBondContact O-N 2.82Å; Y260-R262 PolarHBondContact O-N 3.49Å; Y260-A263 HydrophobicContact CD1-CB 4.23Å; Y260-A263 VanDerWaalsContact O-CB 3.22Å; Y260-A263 WeakPolarHBondContact O-CB 3.31Å; Y260-A263 PolarHBondContact O-N 3.44Å
261V95.9Very high95.2Very high1 Ų138.2 Ų38.21%0.00619%0.187CC..THydrogen-bonded Turntrans-59-24.3-179.175.10000112.6L38 F42 F43 V181 I183 I224 Q226L38-V261 HydrophobicContact CD1-CG1 3.87Å; L38-V261 HydrophobicContact CD2-CG1 3.74Å; L38-V261 HydrophobicContact CG-CG1 4.45Å; F42-V261 HydrophobicContact CD1-CG1 4.5Å; F42-V261 HydrophobicContact CE1-CG1 3.71Å; F42-V261 HydrophobicContact CZ-CG1 4.13Å; F43-V261 HydrophobicContact CZ-CG1 4.29Å; V181-V261 HydrophobicContact CG1-CG2 3.68Å; I183-V261 HydrophobicContact CD1-CG2 4.5Å; I224-V261 HydrophobicContact CG2-CG2 4.34Å; I224-V261 VanDerWaalsContact CG2-O 3.31Å; I224-V261 WeakPolarHBondContact CG2-O 3.42Å; Q226-V261 PolarHBondContact NE2-O 2.84Å
262R94.2Very high95Very high136 Ų13636.5 Ų36.551%0.51318%0.183SC..THydrogen-bonded Turntrans-100.46.3175.2-63.1-178.671.3-169.25.1114.3F36 P37 L38 F42 I224 Y260F36-R262 HydrophobicContact CB-CB 4.43Å; P37-R262 PolarHBondContact O-NH1 3.4Å; P37-R262 VanDerWaalsContact O-NH1 3.08Å; L38-R262 HydrophobicContact CD2-CG 3.87Å; F42-R262 HydrophobicContact CE2-CG 4.43Å; F42-R262 HydrophobicContact CZ-CG 4.22Å; I224-R262 HydrophobicContact CD1-CG 4.1Å; Y260-R262 PolarHBondContact O-N 3.49Å
263A92.8Very high94.9Very high33 Ų3331 Ų3127%0.27316%0.161SC..SBendtrans-79.5-18.9-173.300000114.1F36 Y260 I267F36-A263 HydrophobicContact CD1-CB 3.97Å; F36-A263 HydrophobicContact CD2-CB 3.93Å; F36-A263 VanDerWaalsContact CE1-CA 3.45Å; F36-A263 HydrophobicContact CE1-CB 3.76Å; F36-A263 HydrophobicContact CE2-CB 3.72Å; F36-A263 HydrophobicContact CG-CB 4.06Å; F36-A263 HydrophobicContact CZ-CB 3.62Å; Y260-A263 HydrophobicContact CD1-CB 4.23Å; Y260-A263 VanDerWaalsContact O-CB 3.22Å; Y260-A263 WeakPolarHBondContact O-CB 3.31Å; Y260-A263 PolarHBondContact O-N 3.44Å; A263-I267 HydrophobicContact CB-CG2 4.18Å
264G90.5Very high94.6Very high33 Ų3331.4 Ų31.434%0.3416%0.163SC..  trans159.1179.7-179.700000112.1Q226 K266Q226-G264 PolarHBondContact NE2-O 3.44Å; G264-K266 VanDerWaalsContact C-N 3.35Å
265D93.6Very high94.2Very high61 Ų6135.4 Ų35.433%0.32619%0.185SC..SBendtrans-75.1-21.1177.665.3-24.5000113.2Q212 Q215 Q226 A227Q212-D265 HydrophobicContact CG-CB 4.47Å; Q212-D265 VanDerWaalsContact CG-OD2 3.32Å; Q212-D265 WeakPolarHBondContact CG-OD2 3.48Å; Q212-D265 PolarHBondContact NE2-OD2 2.92Å; Q215-D265 HydrophobicContact CB-CB 4.18Å; Q215-D265 HydrophobicContact CG-CB 3.9Å; Q226-D265 CarbonylContact C-O 3.56Å; Q226-D265 WeakPolarHBondContact CA-O 3.29Å; A227-D265 PolarHBondContact N-O 3.01Å
266K95Very high94Very high50 Ų5032.7 Ų32.722%0.21717%0.173CC..EExtended strand (participates in β ladder)trans-135.8130.5173.7179.1-173.6174.7172.60111.4E208 A227 G264E208-K266 VanDerWaalsContact CD-CD 3.49Å; E208-K266 HydrophobicContact CG-CD 4.04Å; E208-K266 WeakPolarHBondContact OE1-CD 3.07Å; E208-K266 WeakPolarHBondContact OE1-CE 3.21Å; E208-K266 IonicContact OE1-NZ 2.93Å; E208-K266 PolarHBondContact OE1-NZ 2.63Å; E208-K266 WeakPolarHBondContact OE2-CE 3.35Å; E208-K266 IonicContact OE2-NZ 3.87Å; E208-K266 PolarHBondContact OE2-NZ 2.88Å; A227-K266 WeakPolarHBondContact O-CA 3.46Å; G264-K266 VanDerWaalsContact C-N 3.35Å
267I95.1Very high93.7Very high10 Ų1029.6 Ų29.65%0.05116%0.159CC..EExtended strand (participates in β ladder)trans-136.9164.1171.465.5167.2000111.5Q226 A227 V228 A229 A263Q226-I267 HydrophobicContact CG-CG1 4.15Å; A227-I267 PolarHBondContact O-N 3.09Å; V228-I267 CarbonylContact C-O 3.53Å; V228-I267 WeakPolarHBondContact CA-O 3.28Å; V228-I267 HydrophobicContact CB-CG1 4.44Å; V228-I267 HydrophobicContact CG1-CG1 4.4Å; V228-I267 HydrophobicContact CG2-CD1 4.1Å; V228-I267 HydrophobicContact CG2-CG1 3.89Å; A229-I267 PolarHBondContact N-O 3.41Å; A263-I267 HydrophobicContact CB-CG2 4.18Å
268N94.7Very high93.2Very high13 Ų1333.6 Ų33.67%0.0718%0.175CC..  trans-99.48.3171.5-63.296.7000113.6A229 F231 F253 T270 H273A229-N268 WeakPolarHBondContact O-CA 3.34Å; A229-N268 PolarHBondContact O-ND2 2.93Å; F231-N268 WeakPolarHBondContact CE2-ND2 3.43Å; F253-N268 WeakPolarHBondContact CE2-O 3.34Å; N268-T270 PolarHBondContact O-N 2.93Å; N268-T270 VanDerWaalsContact O-N 3.11Å; N268-H273 HydrophobicContact CB-CB 3.77Å; N268-H273 VanDerWaalsContact O-CB 3.3Å; N268-H273 WeakPolarHBondContact O-CB 3.44Å; N268-H273 PolarHBondContact O-ND1 3.37Å
269G93.1Very high92.8Very high0 Ų038.9 Ų38.90%020%0.202CC..SBendtrans79-28.7177.600000115.5K256 S257K256-G269 CarbonylContact C-O 3.22Å; S257-G269 WeakPolarHBondContact CA-O 3.41Å; S257-G269 PolarHBondContact N-O 3.44Å; S257-G269 VanDerWaalsContact N-O 3.16Å; S257-G269 WeakPolarHBondContact OG-CA 3.43Å
270T94.2Very high92.3Very high6 Ų638.1 Ų38.14%0.03720%0.2CC..SBendtrans-141.8161.9177.466.80000112.2L248 F253 K256 N268 C272 H273 T274L248-T270 HydrophobicContact CD1-CG2 3.6Å; F253-T270 HydrophobicContact CD2-CG2 3.82Å; F253-T270 HydrophobicContact CE2-CG2 4.26Å; K256-T270 HydrophobicContact CB-CG2 3.9Å; N268-T270 PolarHBondContact O-N 2.93Å; N268-T270 VanDerWaalsContact O-N 3.11Å; T270-C272 PolarHBondContact OG1-SG 3.37Å; T270-H273 PolarHBondContact O-N 3.31Å; T270-H273 VanDerWaalsContact OG1-CB 3.3Å; T270-H273 WeakPolarHBondContact OG1-CB 3.24Å; T270-H273 VanDerWaalsContact OG1-CG 3.3Å; T270-H273 PolarHBondContact OG1-N 2.84Å; T270-T274 WeakPolarHBondContact O-CB 3.45Å; T270-T274 PolarHBondContact O-N 3.49Å; T270-T274 PolarHBondContact O-OG1 3.03Å
271V92.8Very high91.7Very high36 Ų3642.3 Ų42.322%0.21822%0.22CC..Hα-helixtrans-61.3-44.3175.2176.10000111.1F26 M29 L30 H273 T274 L275F26-V271 HydrophobicContact CE2-CG1 4.25Å; F26-V271 HydrophobicContact CZ-CG1 3.69Å; M29-V271 HydrophobicContact CB-CG2 4.27Å; M29-V271 WeakPolarHBondContact O-CG2 3.11Å; L30-V271 HydrophobicContact CD2-CG1 3.91Å; L30-V271 HydrophobicContact CD2-CG2 4.44Å; V271-H273 PolarHBondContact O-N 3.31Å; V271-T274 WeakPolarHBondContact O-CB 3.24Å; V271-T274 PolarHBondContact O-N 3.4Å; V271-T274 VanDerWaalsContact O-N 3.14Å; V271-L275 HydrophobicContact CG1-CD1 4.3Å; V271-L275 WeakPolarHBondContact O-CG 3.44Å; V271-L275 PolarHBondContact O-N 3.28Å
272C92.8Very high91.1Very high42 Ų4246.4 Ų46.428%0.28425%0.248SC..Hα-helixtrans-63.6-41.7-179.864.30000112.2T270 T274 L275 L276T270-C272 PolarHBondContact OG1-SG 3.37Å; C272-T274 VanDerWaalsContact C-N 3.31Å; C272-T274 PolarHBondContact O-N 3.17Å; C272-L275 PolarHBondContact O-N 3.39Å; C272-L276 WeakPolarHBondContact O-CB 3.49Å; C272-L276 PolarHBondContact O-N 3.05Å
273H94.1Very high90.6Very high0 Ų043.2 Ų43.20%024%0.241CC..Hα-helixtrans-66.5-33.6174.8-77.5-172.1000112.4F231 G232 V246 F253 N268 T270 V271 L276 A277F231-H273 HydrophobicContact CD2-CB 3.8Å; F231-H273 AromaticContact CD2-CG 3.99Å; F231-H273 WeakPolarHBondContact CD2-O 3.34Å; F231-H273 WeakPolarHBondContact CE2-O 3.38Å; F231-H273 PolarHBondContact N-CE1 3.3Å; F231-H273 VanDerWaalsContact N-CE1 3.3Å; F231-H273 PolarHBondContact N-ND1 3.16Å; G232-H273 PolarHBondContact O-NE2 3.25Å; V246-H273 PolarHBondContact O-NE2 3.04Å; F253-H273 AromaticContact CD2-CE1 3.87Å; F253-H273 AromaticContact CD2-ND1 3.89Å; F253-H273 AromaticContact CE2-CE1 3.94Å; F253-H273 AromaticContact CE2-ND1 3.58Å; N268-H273 HydrophobicContact CB-CB 3.77Å; N268-H273 VanDerWaalsContact O-CB 3.3Å; N268-H273 WeakPolarHBondContact O-CB 3.44Å; N268-H273 PolarHBondContact O-ND1 3.37Å; T270-H273 PolarHBondContact O-N 3.31Å; T270-H273 VanDerWaalsContact OG1-CB 3.3Å; T270-H273 WeakPolarHBondContact OG1-CB 3.24Å; T270-H273 VanDerWaalsContact OG1-CG 3.3Å; T270-H273 PolarHBondContact OG1-N 2.84Å; V271-H273 PolarHBondContact O-N 3.31Å; H273-L276 PolarHBondContact O-N 2.88Å; H273-A277 PolarHBondContact O-N 3.02Å
274T91.7Very high90.2Very high7 Ų745.4 Ų45.44%0.04325%0.252CS..Hα-helixtrans-68-45176.5-54.40000111.4F26 M29 T270 V271 C272 L276 A277 W278F26-T274 HydrophobicContact CD2-CG2 4.27Å; F26-T274 HydrophobicContact CE2-CG2 4.14Å; M29-T274 HydrophobicContact CE-CG2 4.13Å; M29-T274 VanDerWaalsContact CE-OG1 3.25Å; M29-T274 WeakPolarHBondContact CE-OG1 3.25Å; M29-T274 HydrophobicContact SD-CG2 3.73Å; T270-T274 WeakPolarHBondContact O-CB 3.45Å; T270-T274 PolarHBondContact O-N 3.49Å; T270-T274 PolarHBondContact O-OG1 3.03Å; V271-T274 WeakPolarHBondContact O-CB 3.24Å; V271-T274 PolarHBondContact O-N 3.4Å; V271-T274 VanDerWaalsContact O-N 3.14Å; C272-T274 VanDerWaalsContact C-N 3.31Å; C272-T274 PolarHBondContact O-N 3.17Å; T274-L276 VanDerWaalsContact C-N 3.28Å; T274-L276 PolarHBondContact O-N 2.79Å; T274-A277 WeakPolarHBondContact O-CB 3.18Å; T274-A277 PolarHBondContact O-N 2.97Å; T274-W278 PolarHBondContact O-N 3.26Å; T274-W278 VanDerWaalsContact O-N 3.09Å
275L90.6Very high89.8Confident85 Ų8547.5 Ų47.545%0.44526%0.255SS..Hα-helixtrans-59.4-41.5173.9-71.8173.7000111.5F26 V271 C272 W278 L279F26-L275 HydrophobicContact CE1-CD2 4Å; F26-L275 HydrophobicContact CE2-CD2 3.75Å; F26-L275 HydrophobicContact CE2-CG 3.97Å; F26-L275 HydrophobicContact CZ-CD1 4.13Å; F26-L275 HydrophobicContact CZ-CD2 3.35Å; F26-L275 HydrophobicContact CZ-CG 3.62Å; V271-L275 HydrophobicContact CG1-CD1 4.3Å; V271-L275 WeakPolarHBondContact O-CG 3.44Å; V271-L275 PolarHBondContact O-N 3.28Å; C272-L275 PolarHBondContact O-N 3.39Å; L275-W278 PolarHBondContact O-N 3Å; L275-L279 PolarHBondContact O-N 3.22Å
276L90.1Very high89.2Confident37 Ų3753.3 Ų53.319%0.19428%0.277CS..Hα-helixtrans-64.1-42176.3-177.360.4000112.2F231 V246 C272 H273 T274 W278 L279 L280F231-L276 HydrophobicContact CB-CD2 3.93Å; F231-L276 HydrophobicContact CD1-CD2 3.82Å; F231-L276 HydrophobicContact CD1-CG 4.31Å; F231-L276 HydrophobicContact CD2-CB 4.45Å; F231-L276 HydrophobicContact CD2-CD2 4.17Å; F231-L276 HydrophobicContact CD2-CG 4.48Å; F231-L276 HydrophobicContact CE1-CD2 4.38Å; F231-L276 HydrophobicContact CE1-CG 4.4Å; F231-L276 HydrophobicContact CE2-CB 4.49Å; F231-L276 HydrophobicContact CG-CD2 3.7Å; F231-L276 HydrophobicContact CG-CG 4.36Å; V246-L276 HydrophobicContact CG1-CD2 3.48Å; V246-L276 VanDerWaalsContact CG1-CD2 3.48Å; C272-L276 WeakPolarHBondContact O-CB 3.49Å; C272-L276 PolarHBondContact O-N 3.05Å; H273-L276 PolarHBondContact O-N 2.88Å; T274-L276 VanDerWaalsContact C-N 3.28Å; T274-L276 PolarHBondContact O-N 2.79Å; L276-W278 VanDerWaalsContact C-N 3.3Å; L276-W278 PolarHBondContact O-N 2.88Å; L276-L279 PolarHBondContact O-N 3.42Å; L276-L280 HydrophobicContact CD1-CD1 3.88Å; L276-L280 HydrophobicContact CD1-CG 3.95Å; L276-L280 HydrophobicContact CD2-CD1 4.48Å; L276-L280 HydrophobicContact CG-CD1 3.83Å; L276-L280 HydrophobicContact CG-CG 4.3Å; L276-L280 WeakPolarHBondContact O-CB 3.37Å; L276-L280 WeakPolarHBondContact O-CG 3.42Å; L276-L280 PolarHBondContact O-N 3.02Å
277A89.7Confident88.6Confident1 Ų155.7 Ų55.71%0.00829%0.292CS..Hα-helixtrans-56.6-46.4174.200000111.5F231 H273 T274 L280 Q281F231-A277 HydrophobicContact CE2-CB 3.73Å; F231-A277 HydrophobicContact CZ-CB 3.83Å; H273-A277 PolarHBondContact O-N 3.02Å; T274-A277 WeakPolarHBondContact O-CB 3.18Å; T274-A277 PolarHBondContact O-N 2.97Å; A277-L280 PolarHBondContact O-N 3.3Å; A277-Q281 VanDerWaalsContact O-CB 3.29Å; A277-Q281 WeakPolarHBondContact O-CB 3.32Å; A277-Q281 WeakPolarHBondContact O-CG 3.32Å; A277-Q281 PolarHBondContact O-N 2.9Å
278W87.9Confident87.7Confident86 Ų8656.2 Ų56.233%0.32630%0.296SS..Hα-helixtrans-64.1-42.7-179.8-70.22.1000112.7K22 F26 T274 L275 L276 S282K22-W278 HydrophobicContact CB-CH2 4.34Å; F26-W278 HydrophobicContact CB-CH2 3.34Å; F26-W278 HydrophobicContact CB-CZ2 4.12Å; F26-W278 HydrophobicContact CB-CZ3 3.85Å; F26-W278 HydrophobicContact CD2-CE3 4.4Å; F26-W278 AromaticContact CD2-CH2 3.76Å; F26-W278 HydrophobicContact CD2-CH2 3.76Å; F26-W278 HydrophobicContact CD2-CZ2 4.1Å; F26-W278 AromaticContact CD2-CZ3 3.85Å; F26-W278 HydrophobicContact CD2-CZ3 3.85Å; F26-W278 AromaticContact CG-CH2 3.76Å; F26-W278 HydrophobicContact CG-CH2 3.76Å; F26-W278 HydrophobicContact CG-CZ2 4.49Å; F26-W278 AromaticContact CG-CZ3 3.84Å; F26-W278 HydrophobicContact CG-CZ3 3.84Å; T274-W278 PolarHBondContact O-N 3.26Å; T274-W278 VanDerWaalsContact O-N 3.09Å; L275-W278 PolarHBondContact O-N 3Å; L276-W278 VanDerWaalsContact C-N 3.3Å; L276-W278 PolarHBondContact O-N 2.88Å; W278-S282 PolarHBondContact O-N 3.25Å; W278-S282 PolarHBondContact O-OG 3.09Å
279L87.8Confident86.9Confident112 Ų11260.8 Ų60.859%0.58631%0.313SS*.Hα-helixtrans-59.6-50.7175.7-179.665000110.7L275 L276 S282L275-L279 PolarHBondContact O-N 3.22Å; L276-L279 PolarHBondContact O-N 3.42Å; L279-S282 WeakPolarHBondContact O-CB 3.5Å; L279-S282 PolarHBondContact O-N 3.09Å
280L85Confident86.3Confident41 Ų4162.3 Ų62.322%0.21533%0.325CS..Hα-helixtrans-68.1-37.5-176.6-67.7175.5000112.7F192 F231 L276 A277 S282 I283F192-L280 HydrophobicContact CD1-CB 4.28Å; F192-L280 HydrophobicContact CD1-CD1 4.42Å; F192-L280 HydrophobicContact CE1-CB 4.3Å; F192-L280 HydrophobicContact CE1-CD1 3.65Å; F192-L280 HydrophobicContact CZ-CD1 4.06Å; F231-L280 HydrophobicContact CD1-CD1 4.37Å; F231-L280 HydrophobicContact CE1-CD1 3.69Å; F231-L280 HydrophobicContact CZ-CD1 4.31Å; L276-L280 HydrophobicContact CD1-CD1 3.88Å; L276-L280 HydrophobicContact CD1-CG 3.95Å; L276-L280 HydrophobicContact CD2-CD1 4.48Å; L276-L280 HydrophobicContact CG-CD1 3.83Å; L276-L280 HydrophobicContact CG-CG 4.3Å; L276-L280 WeakPolarHBondContact O-CB 3.37Å; L276-L280 WeakPolarHBondContact O-CG 3.42Å; L276-L280 PolarHBondContact O-N 3.02Å; A277-L280 PolarHBondContact O-N 3.3Å; L280-S282 PolarHBondContact O-N 3.14Å; L280-I283 HydrophobicContact CD2-CD1 3.89Å; L280-I283 WeakPolarHBondContact O-CB 3.48Å; L280-I283 PolarHBondContact O-N 2.89Å
281Q84.6Confident85.4Confident98 Ų9869.1 Ų69.146%0.45836%0.357SS..Hα-helixtrans-68.4-19.5175.6-74.3173.6-400113.2A277 I283A277-Q281 VanDerWaalsContact O-CB 3.29Å; A277-Q281 WeakPolarHBondContact O-CB 3.32Å; A277-Q281 WeakPolarHBondContact O-CG 3.32Å; A277-Q281 PolarHBondContact O-N 2.9Å; Q281-I283 VanDerWaalsContact C-N 3.3Å
282S83.5Confident84.6Confident87 Ų8773.8 Ų73.861%0.60838%0.379SS*.THydrogen-bonded Turntrans-81.3-12.6176-570000112.5W278 L279 L280 P284W278-S282 PolarHBondContact O-N 3.25Å; W278-S282 PolarHBondContact O-OG 3.09Å; L279-S282 WeakPolarHBondContact O-CB 3.5Å; L279-S282 PolarHBondContact O-N 3.09Å; L280-S282 PolarHBondContact O-N 3.14Å; S282-P284 WeakPolarHBondContact O-CD 3.41Å
283I83.6Confident83.8Confident69 Ų6974.8 Ų74.835%0.35438%0.384SS..SBendtrans-77.7122180-57.9176.4000109.1L280 Q281 L285 L287 V288L280-I283 HydrophobicContact CD2-CD1 3.89Å; L280-I283 WeakPolarHBondContact O-CB 3.48Å; L280-I283 PolarHBondContact O-N 2.89Å; Q281-I283 VanDerWaalsContact C-N 3.3Å; I283-L285 PolarHBondContact O-N 3.41Å; I283-L287 HydrophobicContact CG2-CB 4.04Å; I283-L287 HydrophobicContact CG2-CD1 4.41Å; I283-V288 HydrophobicContact CG2-CG2 3.94Å
284P84.8Confident82.8Confident79 Ų7977.1 Ų77.151%0.51340%0.396SS..  trans-56.9135173.8-25.533.8000111.8S282 K286 L287S282-P284 WeakPolarHBondContact O-CD 3.41Å; P284-K286 PolarHBondContact O-N 3.39Å; P284-K286 VanDerWaalsContact O-N 3.09Å; P284-L287 HydrophobicContact CB-CG 4.49Å; P284-L287 HydrophobicContact CG-CD1 4.39Å; P284-L287 WeakPolarHBondContact O-CB 3.34Å; P284-L287 PolarHBondContact O-N 3.04Å
285L81Confident81.9Confident77 Ų7781.6 Ų81.640%0.40342%0.416SS..Hα-helixtrans-58.1-32.6-174.3-169.663.3000113.5P193 I283 L287 V288 Y289P193-L285 HydrophobicContact CB-CD1 4.1Å; P193-L285 HydrophobicContact CG-CD1 3.58Å; P193-L285 HydrophobicContact CG-CD2 4.35Å; I283-L285 PolarHBondContact O-N 3.41Å; L285-L287 PolarHBondContact O-N 3.19Å; L285-V288 HydrophobicContact CD1-CB 4.44Å; L285-V288 WeakPolarHBondContact O-CB 3.47Å; L285-V288 PolarHBondContact O-N 2.76Å; L285-V288 VanDerWaalsContact O-N 3.09Å; L285-Y289 HydrophobicContact CD1-CE1 3.92Å; L285-Y289 HydrophobicContact CD1-CE2 3.97Å; L285-Y289 HydrophobicContact CD2-CE2 3.58Å; L285-Y289 HydrophobicContact CG-CD2 4.01Å; L285-Y289 HydrophobicContact CG-CE1 4.27Å; L285-Y289 HydrophobicContact CG-CE2 3.41Å; L285-Y289 VanDerWaalsContact CG-CE2 3.41Å; L285-Y289 PolarHBondContact O-N 3.17Å; L285-Y289 VanDerWaalsContact O-N 3.14Å
286K82.1Confident81.2Confident183 Ų18379.4 Ų79.480%0.79641%0.414SS*.Hα-helixtrans-57.4-33.1175-66.4-175.5179.7-178.70112.9P284 A290P284-K286 PolarHBondContact O-N 3.39Å; P284-K286 VanDerWaalsContact O-N 3.09Å; K286-A290 PolarHBondContact O-N 3.49Å
287L81.5Confident80.3Confident101 Ų10179.7 Ų79.753%0.52942%0.415SS..Hα-helixtrans-74.8-35.6177-63.5-177.5000111.8I283 P284 L285 Y289 A290 V293I283-L287 HydrophobicContact CG2-CB 4.04Å; I283-L287 HydrophobicContact CG2-CD1 4.41Å; P284-L287 HydrophobicContact CB-CG 4.49Å; P284-L287 HydrophobicContact CG-CD1 4.39Å; P284-L287 WeakPolarHBondContact O-CB 3.34Å; P284-L287 PolarHBondContact O-N 3.04Å; L285-L287 PolarHBondContact O-N 3.19Å; L287-Y289 PolarHBondContact O-N 3.2Å; L287-A290 VanDerWaalsContact O-CB 3.24Å; L287-A290 WeakPolarHBondContact O-CB 3.12Å; L287-A290 PolarHBondContact O-N 3.48Å; L287-A290 VanDerWaalsContact O-N 3.17Å; L287-V293 WeakPolarHBondContact O-CG2 3.25Å
288V75.9Confident79.3Confident20 Ų2082.9 Ų82.912%0.12143%0.43CS..Hα-helixtrans-64.1-33.6175.8-179.20000111.1I283 L285 A290I283-V288 HydrophobicContact CG2-CG2 3.94Å; L285-V288 HydrophobicContact CD1-CB 4.44Å; L285-V288 WeakPolarHBondContact O-CB 3.47Å; L285-V288 PolarHBondContact O-N 2.76Å; L285-V288 VanDerWaalsContact O-N 3.09Å; V288-A290 VanDerWaalsContact C-N 3.34Å
289Y78.6Confident78.5Confident109 Ų10983.2 Ų83.243%0.42744%0.438SS..THydrogen-bonded Turntrans-88.42177.5-58.2-24.3000114.2P193 P195 L285 L287 E291 L294P193-Y289 HydrophobicContact CB-CE1 3.94Å; P193-Y289 WeakPolarHBondContact CB-OH 3.3Å; P193-Y289 WeakPolarHBondContact CG-OH 3.5Å; P195-Y289 HydrophobicContact CG-CD1 4.19Å; P195-Y289 HydrophobicContact CG-CE1 4.21Å; L285-Y289 HydrophobicContact CD1-CE1 3.92Å; L285-Y289 HydrophobicContact CD1-CE2 3.97Å; L285-Y289 HydrophobicContact CD2-CE2 3.58Å; L285-Y289 HydrophobicContact CG-CD2 4.01Å; L285-Y289 HydrophobicContact CG-CE1 4.27Å; L285-Y289 HydrophobicContact CG-CE2 3.41Å; L285-Y289 VanDerWaalsContact CG-CE2 3.41Å; L285-Y289 PolarHBondContact O-N 3.17Å; L285-Y289 VanDerWaalsContact O-N 3.14Å; L287-Y289 PolarHBondContact O-N 3.2Å; Y289-E291 PolarHBondContact O-N 2.95Å; Y289-L294 WeakPolarHBondContact O-CD1 3.4Å
290A80.2Confident77.6Confident32 Ų3283.4 Ų83.426%0.26443%0.432SS..SBendtrans-60.6137.4176.100000109.9K286 L287 V288 I292 V293 L294K286-A290 PolarHBondContact O-N 3.49Å; L287-A290 VanDerWaalsContact O-CB 3.24Å; L287-A290 WeakPolarHBondContact O-CB 3.12Å; L287-A290 PolarHBondContact O-N 3.48Å; L287-A290 VanDerWaalsContact O-N 3.17Å; V288-A290 VanDerWaalsContact C-N 3.34Å; A290-I292 HydrophobicContact CB-CG2 4.22Å; A290-I292 PolarHBondContact O-N 3.34Å; A290-I292 VanDerWaalsContact O-N 3.11Å; A290-V293 HydrophobicContact CB-CG2 4.36Å; A290-V293 PolarHBondContact O-N 3.46Å; A290-L294 PolarHBondContact O-N 3.43Å; A290-L294 VanDerWaalsContact O-N 3.1Å
291E76Confident76.7Confident150 Ų15082.1 Ų82.170%0.70143%0.426SS*.Hα-helixtrans-53.7-37.7-176.2-70.5-175.2168.700112.4Y289 V293 L294 Q295Y289-E291 PolarHBondContact O-N 2.95Å; E291-V293 VanDerWaalsContact C-N 3.32Å; E291-V293 PolarHBondContact O-N 2.97Å; E291-L294 PolarHBondContact O-N 3.27Å; E291-Q295 VanDerWaalsContact O-CB 3.3Å; E291-Q295 WeakPolarHBondContact O-CB 3.24Å; E291-Q295 VanDerWaalsContact O-CG 3.28Å; E291-Q295 WeakPolarHBondContact O-CG 3.43Å; E291-Q295 PolarHBondContact O-N 2.95Å
292I75.8Confident75.9Confident134 Ų13484.1 Ų84.169%0.68743%0.433SS*.Hα-helixtrans-62.4-36.3177.8-163.7165.9000113.1A290 G296A290-I292 HydrophobicContact CB-CG2 4.22Å; A290-I292 PolarHBondContact O-N 3.34Å; A290-I292 VanDerWaalsContact O-N 3.11Å; I292-G296 PolarHBondContact O-N 2.88Å
293V76.1Confident75.3Confident62 Ų6286.8 Ų86.838%0.37643%0.434SS..Hα-helixtrans-74-41.4177.9177.60000109.9L287 A290 E291 G296 L297L287-V293 WeakPolarHBondContact O-CG2 3.25Å; A290-V293 HydrophobicContact CB-CG2 4.36Å; A290-V293 PolarHBondContact O-N 3.46Å; E291-V293 VanDerWaalsContact C-N 3.32Å; E291-V293 PolarHBondContact O-N 2.97Å; V293-G296 PolarHBondContact O-N 3.38Å; V293-L297 HydrophobicContact CG1-CD1 4.48Å; V293-L297 WeakPolarHBondContact O-CG 3.3Å; V293-L297 PolarHBondContact O-N 2.92Å
294L71.7Confident74.3Confident49 Ų4987 Ų8726%0.25743%0.432SS..Hα-helixtrans-64.8-44.4176.3-63.7177.5000112.1P195 Y289 A290 E291 L297 Q298P195-L294 HydrophobicContact CB-CD2 3.53Å; P195-L294 HydrophobicContact CG-CD2 3.49Å; P195-L294 VanDerWaalsContact CG-CD2 3.49Å; Y289-L294 WeakPolarHBondContact O-CD1 3.4Å; A290-L294 PolarHBondContact O-N 3.43Å; A290-L294 VanDerWaalsContact O-N 3.1Å; E291-L294 PolarHBondContact O-N 3.27Å; L294-L297 WeakPolarHBondContact O-CB 3.32Å; L294-L297 PolarHBondContact O-N 2.93Å; L294-Q298 WeakPolarHBondContact O-CG 3.3Å; L294-Q298 PolarHBondContact O-N 2.94Å
295Q72.5Confident73Confident102 Ų10285 Ų8548%0.47742%0.419SS..Hα-helixtrans-63.4-45.2174.5-75.3174.70.900110.6E291 L297 Q298 D299E291-Q295 VanDerWaalsContact O-CB 3.3Å; E291-Q295 WeakPolarHBondContact O-CB 3.24Å; E291-Q295 VanDerWaalsContact O-CG 3.28Å; E291-Q295 WeakPolarHBondContact O-CG 3.43Å; E291-Q295 PolarHBondContact O-N 2.95Å; Q295-L297 VanDerWaalsContact C-N 3.3Å; Q295-L297 PolarHBondContact O-N 3.15Å; Q295-Q298 CarbonylContact O-C 3.57Å; Q295-Q298 PolarHBondContact O-N 3.46Å; Q295-D299 WeakPolarHBondContact O-CB 3.49Å; Q295-D299 VanDerWaalsContact O-CG 3.32Å; Q295-D299 PolarHBondContact O-N 3.33Å
296G76.8Confident72Confident38 Ų3883 Ų8339%0.39242%0.417SS..Hα-helixtrans-58.8-39.1175.300000113.2I292 V293 Y300I292-G296 PolarHBondContact O-N 2.88Å; V293-G296 PolarHBondContact O-N 3.38Å; G296-Y300 VanDerWaalsContact O-CB 3.28Å; G296-Y300 WeakPolarHBondContact O-CB 3.28Å; G296-Y300 PolarHBondContact O-N 3.42Å
297L71.5Confident70.7Confident43 Ų4379.3 Ų79.323%0.22540%0.402CS..Hα-helixtrans-63.3-47.9171.9-77.1167.7000111.2F194 L196 V293 L294 Q295 D299 Y300 V301F194-L297 HydrophobicContact CE1-CD2 4.38Å; F194-L297 HydrophobicContact CZ-CD2 3.91Å; L196-L297 HydrophobicContact CD1-CB 4.48Å; V293-L297 HydrophobicContact CG1-CD1 4.48Å; V293-L297 WeakPolarHBondContact O-CG 3.3Å; V293-L297 PolarHBondContact O-N 2.92Å; L294-L297 WeakPolarHBondContact O-CB 3.32Å; L294-L297 PolarHBondContact O-N 2.93Å; Q295-L297 VanDerWaalsContact C-N 3.3Å; Q295-L297 PolarHBondContact O-N 3.15Å; L297-D299 PolarHBondContact O-N 2.97Å; L297-Y300 PolarHBondContact O-N 3.44Å; L297-V301 WeakPolarHBondContact O-CB 3.11Å; L297-V301 WeakPolarHBondContact O-CG2 3.4Å; L297-V301 PolarHBondContact O-N 2.79Å
298Q67.7Low69.3Low69 Ų6981 Ų8132%0.32240%0.401SS..Hα-helixtrans-62.7-39.8178.5-71.9179-23.300112.9L196 L294 Q295 V301 K302L196-Q298 HydrophobicContact CD1-CG 3.68Å; L294-Q298 WeakPolarHBondContact O-CG 3.3Å; L294-Q298 PolarHBondContact O-N 2.94Å; Q295-Q298 CarbonylContact O-C 3.57Å; Q295-Q298 PolarHBondContact O-N 3.46Å; Q298-V301 WeakPolarHBondContact O-CB 3.41Å; Q298-V301 PolarHBondContact O-N 2.72Å; Q298-K302 WeakPolarHBondContact O-CG 3.32Å; Q298-K302 PolarHBondContact O-N 3.37Å
299D72.4Confident68.1Low92 Ų9285.4 Ų85.449%0.49242%0.421SS..Hα-helixtrans-72.1-40.9-179.8-71.1-19.5000111.8Q295 L297 V301 K302 K303Q295-D299 WeakPolarHBondContact O-CB 3.49Å; Q295-D299 VanDerWaalsContact O-CG 3.32Å; Q295-D299 PolarHBondContact O-N 3.33Å; L297-D299 PolarHBondContact O-N 2.97Å; D299-V301 PolarHBondContact O-N 3.07Å; D299-K302 PolarHBondContact O-N 3.02Å; D299-K303 VanDerWaalsContact O-CB 3.3Å; D299-K303 WeakPolarHBondContact O-CB 3.19Å; D299-K303 PolarHBondContact O-N 3.48Å
300Y69.5Low66.7Low117 Ų11783.1 Ų83.146%0.45942%0.421SS..Hα-helixtrans-56.1-43.4170.3171.2-97.5000110.8Q241 G296 L297 K304Q241-Y300 PolarHBondContact NE2-OH 3.17Å; Q241-Y300 VanDerWaalsContact NE2-OH 3.08Å; G296-Y300 VanDerWaalsContact O-CB 3.28Å; G296-Y300 WeakPolarHBondContact O-CB 3.28Å; G296-Y300 PolarHBondContact O-N 3.42Å; L297-Y300 PolarHBondContact O-N 3.44Å; Y300-K304 HydrophobicContact CE1-CG 4.41Å; Y300-K304 HydrophobicContact CE2-CG 4.38Å; Y300-K304 WeakPolarHBondContact O-CB 3.3Å; Y300-K304 PolarHBondContact O-N 3.46Å
301V65.5Low65.1Low14 Ų1486.6 Ų86.69%0.08543%0.434CS..Hα-helixtrans-63.8-54.1177.8170.10000111V138 P139 L297 Q298 D299 K303 K304 T305V138-V301 HydrophobicContact CB-CG1 4.32Å; V138-V301 HydrophobicContact CG1-CG1 3.18Å; P139-V301 HydrophobicContact CB-CG2 3.96Å; P139-V301 HydrophobicContact CG-CG1 4.38Å; P139-V301 HydrophobicContact CG-CG2 3.41Å; P139-V301 VanDerWaalsContact CG-CG2 3.41Å; L297-V301 WeakPolarHBondContact O-CB 3.11Å; L297-V301 WeakPolarHBondContact O-CG2 3.4Å; L297-V301 PolarHBondContact O-N 2.79Å; Q298-V301 WeakPolarHBondContact O-CB 3.41Å; Q298-V301 PolarHBondContact O-N 2.72Å; D299-V301 PolarHBondContact O-N 3.07Å; V301-K303 VanDerWaalsContact C-N 3.31Å; V301-K303 PolarHBondContact O-N 3.06Å; V301-K304 WeakPolarHBondContact O-CB 3.5Å; V301-K304 PolarHBondContact O-N 3.3Å; V301-K304 VanDerWaalsContact O-N 3.08Å; V301-T305 PolarHBondContact O-N 3.36Å; V301-T305 PolarHBondContact O-OG1 2.9Å
302K66.9Low63.8Low140 Ų14082.5 Ų82.561%0.60942%0.422SS*.Hα-helixtrans-54.4-44.6177.4-76.1175.6-179.61740112.3Q298 D299 K304 T305 G306Q298-K302 WeakPolarHBondContact O-CG 3.32Å; Q298-K302 PolarHBondContact O-N 3.37Å; D299-K302 PolarHBondContact O-N 3.02Å; K302-K304 VanDerWaalsContact C-N 3.35Å; K302-K304 PolarHBondContact O-N 2.84Å; K302-T305 PolarHBondContact O-N 3.36Å; K302-G306 PolarHBondContact O-N 3.08Å
303K70.6Confident62.5Low143 Ų14382 Ų8262%0.62242%0.417SS*.Hα-helixtrans-62.6-41178.2-174173.1178.5173.30111.9D299 V301 Q307D299-K303 VanDerWaalsContact O-CB 3.3Å; D299-K303 WeakPolarHBondContact O-CB 3.19Å; D299-K303 PolarHBondContact O-N 3.48Å; V301-K303 VanDerWaalsContact C-N 3.31Å; V301-K303 PolarHBondContact O-N 3.06Å; K303-Q307 WeakPolarHBondContact O-CB 3.32Å; K303-Q307 VanDerWaalsContact O-CG 3.24Å; K303-Q307 WeakPolarHBondContact O-CG 3.46Å; K303-Q307 PolarHBondContact O-N 2.86Å; K303-Q307 VanDerWaalsContact O-N 3.08Å
304K63.3Low61.1Low73 Ų7381.5 Ų81.532%0.31742%0.416SS..Hα-helixtrans-68.2-33.7175.8-98.1-110.6178.4176.20112.8Y300 V301 K302 R308Y300-K304 HydrophobicContact CE1-CG 4.41Å; Y300-K304 HydrophobicContact CE2-CG 4.38Å; Y300-K304 WeakPolarHBondContact O-CB 3.3Å; Y300-K304 PolarHBondContact O-N 3.46Å; V301-K304 WeakPolarHBondContact O-CB 3.5Å; V301-K304 PolarHBondContact O-N 3.3Å; V301-K304 VanDerWaalsContact O-N 3.08Å; K302-K304 VanDerWaalsContact C-N 3.35Å; K302-K304 PolarHBondContact O-N 2.84Å; K304-R308 PolarHBondContact O-N 3.08Å
305T57.3Low60.1Low38 Ų3886.4 Ų86.423%0.23344%0.435CS..Hα-helixtrans-72.6-49.3176.7-37.50000111.4V138 V301 K302 Q307 R308 E309V138-T305 WeakPolarHBondContact CG1-OG1 3.36Å; V138-T305 HydrophobicContact CG2-CG2 3.81Å; V301-T305 PolarHBondContact O-N 3.36Å; V301-T305 PolarHBondContact O-OG1 2.9Å; K302-T305 PolarHBondContact O-N 3.36Å; T305-Q307 VanDerWaalsContact C-N 3.35Å; T305-Q307 PolarHBondContact O-N 3.31Å; T305-R308 WeakPolarHBondContact O-CA 3.47Å; T305-R308 WeakPolarHBondContact O-CB 3.27Å; T305-R308 PolarHBondContact O-N 3.39Å; T305-E309 PolarHBondContact O-N 2.94Å
306G59.6Low58.9Low35 Ų3588 Ų8836%0.36145%0.445SS..Hα-helixtrans-65.4-33.117900000113.8K302 R308 S310K302-G306 PolarHBondContact O-N 3.08Å; G306-R308 PolarHBondContact O-N 2.91Å; G306-S310 PolarHBondContact O-N 2.77Å; G306-S310 PolarHBondContact O-OG 3.28Å
307Q55.4Low57.8Low104 Ų10493 Ų9349%0.48646%0.458SS..Hα-helixtrans-66.5-24.2170.4-78.1-179.1-9.700113.1K303 T305 S310 L311K303-Q307 WeakPolarHBondContact O-CB 3.32Å; K303-Q307 VanDerWaalsContact O-CG 3.24Å; K303-Q307 WeakPolarHBondContact O-CG 3.46Å; K303-Q307 PolarHBondContact O-N 2.86Å; K303-Q307 VanDerWaalsContact O-N 3.08Å; T305-Q307 VanDerWaalsContact C-N 3.35Å; T305-Q307 PolarHBondContact O-N 3.31Å; Q307-S310 PolarHBondContact O-OG 3.44Å; Q307-S310 VanDerWaalsContact O-OG 3.05Å; Q307-L311 WeakPolarHBondContact O-CB 3.17Å; Q307-L311 VanDerWaalsContact O-CD1 3.24Å; Q307-L311 WeakPolarHBondContact O-CD1 3.45Å; Q307-L311 WeakPolarHBondContact O-CG 3.5Å; Q307-L311 PolarHBondContact O-N 2.92Å
308R52.4Low56.9Low136 Ų13694.6 Ų94.651%0.51347%0.472SS..Hα-helixtrans-85.8-38.3-179.9-171.4176.4177.5176.6-2.4111.7F137 K304 T305 G306 S310 L311 S312F137-R308 VanDerWaalsContact CD1-NH1 3.25Å; K304-R308 PolarHBondContact O-N 3.08Å; T305-R308 WeakPolarHBondContact O-CA 3.47Å; T305-R308 WeakPolarHBondContact O-CB 3.27Å; T305-R308 PolarHBondContact O-N 3.39Å; G306-R308 PolarHBondContact O-N 2.91Å; R308-S310 VanDerWaalsContact C-N 3.3Å; R308-S310 PolarHBondContact O-N 3.23Å; R308-L311 CarbonylContact O-C 3.5Å; R308-L311 PolarHBondContact O-N 3.03Å; R308-S312 PolarHBondContact O-N 2.77Å; R308-S312 PolarHBondContact O-OG 3.04Å; R308-S312 VanDerWaalsContact O-OG 3.04Å
309E51.4Low56.1Low113 Ų11399 Ų9953%0.52849%0.491SS..Hα-helixtrans-56.5-47172.7-73.7169.5176.100110.3T305 L311 S312 E313T305-E309 PolarHBondContact O-N 2.94Å; E309-L311 PolarHBondContact O-N 3.4Å; E309-S312 WeakPolarHBondContact CA-OG 3.49Å; E309-S312 PolarHBondContact O-N 3.27Å; E309-S312 VanDerWaalsContact O-N 3.16Å; E309-S312 PolarHBondContact O-OG 3.34Å; E309-E313 WeakPolarHBondContact O-CB 3.28Å; E309-E313 WeakPolarHBondContact O-CG 3.3Å; E309-E313 PolarHBondContact O-N 3.31Å
310S47.3Very low55.2Low61 Ų61100.1 Ų100.143%0.42750%0.496SS..Hα-helixtrans-66.3-32.4175.365.50000114.1G306 Q307 R308 S314G306-S310 PolarHBondContact O-N 2.77Å; G306-S310 PolarHBondContact O-OG 3.28Å; Q307-S310 PolarHBondContact O-OG 3.44Å; Q307-S310 VanDerWaalsContact O-OG 3.05Å; R308-S310 VanDerWaalsContact C-N 3.3Å; R308-S310 PolarHBondContact O-N 3.23Å; S310-S314 WeakPolarHBondContact O-CB 3.44Å; S310-S314 PolarHBondContact O-N 2.87Å; S310-S314 PolarHBondContact O-OG 3.21Å
311L47.8Very low54.2Low106 Ų10697.1 Ų97.156%0.55550%0.502SS*.Hα-helixtrans-74.1-27.5173.2-77.5166.9000113.1Q307 R308 E309 S314 K315Q307-L311 WeakPolarHBondContact O-CB 3.17Å; Q307-L311 VanDerWaalsContact O-CD1 3.24Å; Q307-L311 WeakPolarHBondContact O-CD1 3.45Å; Q307-L311 WeakPolarHBondContact O-CG 3.5Å; Q307-L311 PolarHBondContact O-N 2.92Å; R308-L311 CarbonylContact O-C 3.5Å; R308-L311 PolarHBondContact O-N 3.03Å; E309-L311 PolarHBondContact O-N 3.4Å; L311-S314 WeakPolarHBondContact CA-OG 3.38Å; L311-S314 PolarHBondContact O-OG 2.78Å; L311-K315 WeakPolarHBondContact O-CB 3.43Å; L311-K315 VanDerWaalsContact O-CG 3.32Å; L311-K315 WeakPolarHBondContact O-CG 3.47Å; L311-K315 PolarHBondContact O-N 3.11Å
312S48.8Very low53.5Low63 Ų63104.7 Ų104.744%0.44154%0.538SS..Hα-helixtrans-79.4-38.8173470000112.4R308 E309 K315 M316R308-S312 PolarHBondContact O-N 2.77Å; R308-S312 PolarHBondContact O-OG 3.04Å; R308-S312 VanDerWaalsContact O-OG 3.04Å; E309-S312 WeakPolarHBondContact CA-OG 3.49Å; E309-S312 PolarHBondContact O-N 3.27Å; E309-S312 VanDerWaalsContact O-N 3.16Å; E309-S312 PolarHBondContact O-OG 3.34Å; S312-K315 PolarHBondContact O-N 3.32Å; S312-M316 PolarHBondContact O-N 3.1Å
313E48.8Very low52.5Low123 Ų123106.8 Ų106.858%0.57555%0.547SS*.Hα-helixtrans-63-49.7174.4-74.6171.5168.800110.8E309 K315 M316 E317E309-E313 WeakPolarHBondContact O-CB 3.28Å; E309-E313 WeakPolarHBondContact O-CG 3.3Å; E309-E313 PolarHBondContact O-N 3.31Å; E313-K315 VanDerWaalsContact C-N 3.29Å; E313-K315 PolarHBondContact O-N 3.45Å; E313-M316 WeakPolarHBondContact O-CB 3.43Å; E313-M316 PolarHBondContact O-N 2.97Å; E313-E317 WeakPolarHBondContact O-CG 3.39Å; E313-E317 PolarHBondContact O-N 2.92Å
314S46.4Very low51.1Low53 Ų53112.4 Ų112.437%0.37157%0.571SS.*Hα-helixtrans-62.4-32176.856.10000113.6S310 L311 S318S310-S314 WeakPolarHBondContact O-CB 3.44Å; S310-S314 PolarHBondContact O-N 2.87Å; S310-S314 PolarHBondContact O-OG 3.21Å; L311-S314 WeakPolarHBondContact CA-OG 3.38Å; L311-S314 PolarHBondContact O-OG 2.78Å; S314-S318 VanDerWaalsContact O-CB 3.26Å; S314-S318 WeakPolarHBondContact O-CB 3.24Å; S314-S318 PolarHBondContact O-N 3.12Å
315K50.5Low50.5Low151 Ų151114.4 Ų114.466%0.65758%0.584SS**Hα-helixtrans-73.5-30.5172.4-82-179.4177.4-179.70113.4L311 S312 E313 K319L311-K315 WeakPolarHBondContact O-CB 3.43Å; L311-K315 VanDerWaalsContact O-CG 3.32Å; L311-K315 WeakPolarHBondContact O-CG 3.47Å; L311-K315 PolarHBondContact O-N 3.11Å; S312-K315 PolarHBondContact O-N 3.32Å; E313-K315 VanDerWaalsContact C-N 3.29Å; E313-K315 PolarHBondContact O-N 3.45Å; K315-K319 PolarHBondContact O-N 3.15Å
316M47.4Very low50.1Low136 Ų136118.4 Ų118.467%0.6760%0.603SS**Hα-helixtrans-71.9-42.9172.1-88.8-172-178.100111.3S312 E313 K319 N320S312-M316 PolarHBondContact O-N 3.1Å; E313-M316 WeakPolarHBondContact O-CB 3.43Å; E313-M316 PolarHBondContact O-N 2.97Å; M316-K319 PolarHBondContact O-N 2.69Å; M316-N320 PolarHBondContact O-N 3.47Å
317E52.8Low49.6Very low143 Ų143123 Ų12367%0.66862%0.616SS**Hα-helixtrans-63.6-43176.2-71.7-178.8158.100111.9E313 K319 N320 G321E313-E317 WeakPolarHBondContact O-CG 3.39Å; E313-E317 PolarHBondContact O-N 2.92Å; E317-K319 PolarHBondContact O-N 3.42Å; E317-N320 PolarHBondContact O-N 2.95Å; E317-G321 PolarHBondContact O-N 2.95Å
318S52.4Low49.3Very low76 Ų76124.1 Ų124.153%0.53162%0.624SS.*Hα-helixtrans-59.3-40.8173.9160.20000113.1S314 M322S314-S318 VanDerWaalsContact O-CB 3.26Å; S314-S318 WeakPolarHBondContact O-CB 3.24Å; S314-S318 PolarHBondContact O-N 3.12Å; S318-M322 PolarHBondContact O-N 3.45Å
319K51.1Low49.1Very low162 Ų162123.4 Ų123.470%0.70463%0.631SS**Hα-helixtrans-71.4-30.8177-84.7-175173.7-174.90113.2K315 M316 E317K315-K319 PolarHBondContact O-N 3.15Å; M316-K319 PolarHBondContact O-N 2.69Å; E317-K319 PolarHBondContact O-N 3.42Å
320N53Low48.9Very low115 Ų115124.1 Ų124.162%0.61564%0.637SS**Hα-helixtrans-81.1-26.5177.1-73.3-15.5000112.5M316 E317 K323M316-N320 PolarHBondContact O-N 3.47Å; E317-N320 PolarHBondContact O-N 2.95Å; N320-K323 PolarHBondContact O-N 3.21Å
321G49.9Very low49Very low55 Ų55128.6 Ų128.657%0.56765%0.653SS**Hα-helixtrans-74.5-22.4174.600000115E317 K323E317-G321 PolarHBondContact O-N 2.95Å; G321-K323 VanDerWaalsContact C-N 3.29Å
322M49.4Very low49.1Very low172 Ų172130.3 Ų130.385%0.84766%0.66SS**THydrogen-bonded Turntrans-82.7-1173.8-94.7177.2131.400114S318S318-M322 PolarHBondContact O-N 3.45Å
323K47.7Very low49.1Very low185 Ų185135.9 Ų135.980%0.80468%0.678SS**THydrogen-bonded Turntrans-105.112.2178.5-85.3-172.8170.3-175.10113.8N320 G321N320-K323 PolarHBondContact O-N 3.21Å; G321-K323 VanDerWaalsContact C-N 3.29Å
324K40.2Very low49.2Very low260 Ų260137.1 Ų137.1100%1.1369%0.688SS**  trans-113.30171.6-86.5-173.2174.9-1780110.8

Retrieved 324 of 324 residues in 169 ms (Link to these results)

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