A0A077Z0D4_TRITR Loading...

Ribonucleoside-diphosphate reductase

Provides the precursors necessary for DNA synthesis. Catalyzes the biosynthesis of deoxyribonucleotides from the corresponding ribonucleotides.

AlphaFold DB , UniProt , Accession A0A077Z0D4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 805 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
1M58.8Low65.3Low113 Ų11381 Ų8156%0.55744%0.437SS*.  0138.80-173.7176.5-86.600107.7V13 L49M1-V13 HydrophobicContact CB-CB 4.4Å; M1-V13 HydrophobicContact CB-CG2 3.87Å; M1-V13 HydrophobicContact CG-CG2 4.08Å; M1-V13 WeakPolarHBondContact O-CG2 3.12Å; M1-V13 PolarHBondContact O-N 2.92Å; M1-V13 HydrophobicContact SD-CG2 4.46Å; M1-L49 HydrophobicContact CE-CB 4.27Å; M1-L49 WeakPolarHBondContact CE-O 3.31Å; M1-L49 HydrophobicContact SD-CB 3.45Å; M1-L49 WeakPolarHBondContact SD-CB 3.18Å; M1-L49 HydrophobicContact SD-CD1 4.48Å
2L62.1Low65.7Low59 Ų5979.6 Ų79.631%0.30944%0.438SS..EExtended strand (participates in β ladder)trans-98.4130.2179.3-69.7168.5000109.7F4 E11L2-F4 HydrophobicContact CB-CE2 4.49Å; L2-E11 CarbonylContact C-O 3.57Å; L2-E11 WeakPolarHBondContact CA-O 3.4Å
3L59.7Low66.1Low12 Ų1275.8 Ų75.86%0.06342%0.418CS..EExtended strand (participates in β ladder)trans-87.1143.6165.9-72.3161.1000108.7S10 E11 V13 V53 L58L3-S10 CarbonylContact O-C 3.5Å; L3-S10 WeakPolarHBondContact O-CA 3.48Å; L3-E11 PolarHBondContact N-O 2.76Å; L3-E11 PolarHBondContact O-N 3.21Å; L3-V13 HydrophobicContact CD1-CB 4.36Å; L3-V13 HydrophobicContact CD1-CG2 3.85Å; L3-V13 HydrophobicContact CD2-CG2 4.07Å; L3-V13 HydrophobicContact CG-CG2 3.52Å; L3-V53 HydrophobicContact CD2-CG1 3.63Å; L3-L58 HydrophobicContact CD1-CD2 4.27Å; L3-L58 HydrophobicContact CD2-CD2 4.02Å
4F62.6Low66.8Low82 Ų8276.8 Ų76.836%0.3642%0.418SS..EExtended strand (participates in β ladder)trans-106.7129.8170.2-70.6-94.2000109.9L2 R9 V53 T54 T55L2-F4 HydrophobicContact CB-CE2 4.49Å; F4-R9 WeakPolarHBondContact CA-O 3.45Å; F4-V53 PolarHBondContact N-O 3.17Å; F4-T54 WeakPolarHBondContact O-CA 3Å; F4-T55 PolarHBondContact O-N 3.09Å
5F60.5Low67.4Low74 Ų7476.2 Ų76.233%0.32541%0.41SS..  trans-77.7159.1170.9-69.8-79.3000110.4D7 G8 R9 E11 T55F5-D7 WeakPolarHBondContact CB-OD1 3.49Å; F5-D7 PolarHBondContact O-N 3.01Å; F5-G8 PolarHBondContact O-N 3.28Å; F5-R9 HydrophobicContact CB-CB 4.43Å; F5-R9 HydrophobicContact CD2-CB 3.78Å; F5-R9 WeakPolarHBondContact CD2-O 3.41Å; F5-R9 PolarHBondContact N-O 2.99Å; F5-E11 HydrophobicContact CD2-CB 4.49Å; F5-E11 HydrophobicContact CE2-CB 3.52Å; F5-E11 HydrophobicContact CE2-CG 4.49Å; F5-E11 HydrophobicContact CZ-CB 4.06Å; F5-E11 VanDerWaalsContact CZ-OE2 3.22Å; F5-E11 WeakPolarHBondContact CZ-OE2 3.4Å; F5-T55 HydrophobicContact CD1-CG2 3.84Å; F5-T55 HydrophobicContact CE1-CG2 4.09Å
6S57.3Low68Low101 Ų10179.1 Ų79.171%0.70643%0.425SS*.THydrogen-bonded Turntrans-61.4-19.9173.648.10000113.4G8S6-G8 VanDerWaalsContact C-N 3.35Å
7D65.8Low68.7Low90 Ų9080.7 Ų80.748%0.48143%0.427SS..THydrogen-bonded Turntrans-90.16.6174.476.5-12.3000114.1F5 R9F5-D7 WeakPolarHBondContact CB-OD1 3.49Å; F5-D7 PolarHBondContact O-N 3.01Å; D7-R9 WeakPolarHBondContact OD1-CB 3.42Å; D7-R9 PolarHBondContact OD1-N 2.87Å; D7-R9 IonicContact OD1-NE 2.67Å; D7-R9 IonicContact OD2-CZ 2.83Å; D7-R9 IonicContact OD2-NE 2.62Å; D7-R9 PolarHBondContact OD2-NE 3.48Å; D7-R9 IonicContact OD2-NH2 3.01Å; D7-R9 PolarHBondContact OD2-NH2 3.3Å
8G67.6Low69.3Low58 Ų5877.1 Ų77.160%0.59841%0.408SS*.SBendtrans86.3-4.8176.200000115.4F5 S6F5-G8 PolarHBondContact O-N 3.28Å; S6-G8 VanDerWaalsContact C-N 3.35Å
9R77.7Confident70Confident174 Ų17474.1 Ų74.166%0.65739%0.393SS*.  trans-69.1151.7173.7-67.4-177-128.7-164.90.1111F4 F5 D7F4-R9 WeakPolarHBondContact CA-O 3.45Å; F5-R9 HydrophobicContact CB-CB 4.43Å; F5-R9 HydrophobicContact CD2-CB 3.78Å; F5-R9 WeakPolarHBondContact CD2-O 3.41Å; F5-R9 PolarHBondContact N-O 2.99Å; D7-R9 WeakPolarHBondContact OD1-CB 3.42Å; D7-R9 PolarHBondContact OD1-N 2.87Å; D7-R9 IonicContact OD1-NE 2.67Å; D7-R9 IonicContact OD2-CZ 2.83Å; D7-R9 IonicContact OD2-NE 2.62Å; D7-R9 PolarHBondContact OD2-NE 3.48Å; D7-R9 IonicContact OD2-NH2 3.01Å; D7-R9 PolarHBondContact OD2-NH2 3.3Å
10S72.7Confident70.6Confident65 Ų6573.3 Ų73.346%0.45539%0.394SS..EExtended strand (participates in β ladder)trans-111.8138.2172.267.50000111.8L3L3-S10 CarbonylContact O-C 3.5Å; L3-S10 WeakPolarHBondContact O-CA 3.48Å
11E73.9Confident71.2Confident63 Ų6372.5 Ų72.529%0.29439%0.385SS..EExtended strand (participates in β ladder)trans-132.8147.4174.6178.1175.7-13500111.1L2 L3 F5 V13 K17L2-E11 CarbonylContact C-O 3.57Å; L2-E11 WeakPolarHBondContact CA-O 3.4Å; L3-E11 PolarHBondContact N-O 2.76Å; L3-E11 PolarHBondContact O-N 3.21Å; F5-E11 HydrophobicContact CD2-CB 4.49Å; F5-E11 HydrophobicContact CE2-CB 3.52Å; F5-E11 HydrophobicContact CE2-CG 4.49Å; F5-E11 HydrophobicContact CZ-CB 4.06Å; F5-E11 VanDerWaalsContact CZ-OE2 3.22Å; F5-E11 WeakPolarHBondContact CZ-OE2 3.4Å; E11-V13 PolarHBondContact O-N 2.92Å; E11-K17 IonicContact OE1-NZ 3.18Å; E11-K17 PolarHBondContact OE1-NZ 3.03Å
12S70.3Confident72.4Confident64 Ų6467.5 Ų67.545%0.44836%0.361SS..EExtended strand (participates in β ladder)trans-64.5132.5174.4-68.80000111.2H14S12-H14 PolarHBondContact O-CD2 2.86Å; S12-H14 PolarHBondContact O-N 2.72Å; S12-H14 VanDerWaalsContact O-N 3.09Å
13V70.6Confident73.5Confident31 Ų3170.6 Ų70.619%0.18837%0.372CS..  trans-60.8113.4171.71780000108.7M1 L3 E11 I18 L49M1-V13 HydrophobicContact CB-CB 4.4Å; M1-V13 HydrophobicContact CB-CG2 3.87Å; M1-V13 HydrophobicContact CG-CG2 4.08Å; M1-V13 WeakPolarHBondContact O-CG2 3.12Å; M1-V13 PolarHBondContact O-N 2.92Å; M1-V13 HydrophobicContact SD-CG2 4.46Å; L3-V13 HydrophobicContact CD1-CB 4.36Å; L3-V13 HydrophobicContact CD1-CG2 3.85Å; L3-V13 HydrophobicContact CD2-CG2 4.07Å; L3-V13 HydrophobicContact CG-CG2 3.52Å; E11-V13 PolarHBondContact O-N 2.92Å; V13-I18 HydrophobicContact CG1-CD1 4.07Å; V13-L49 HydrophobicContact CG1-CD1 3.88Å; V13-L49 HydrophobicContact CG2-CD1 4.28Å
14H75.2Confident74.7Confident89 Ų8977.7 Ų77.741%0.41240%0.402SS..  trans-109.2119.1171.1-67.2-79.7000109.8S12 D16 K17 I18S12-H14 PolarHBondContact O-CD2 2.86Å; S12-H14 PolarHBondContact O-N 2.72Å; S12-H14 VanDerWaalsContact O-N 3.09Å; H14-D16 PolarHBondContact O-N 2.82Å; H14-K17 HydrophobicContact CB-CB 4.14Å; H14-K17 HydrophobicContact CB-CD 4.1Å; H14-K17 HydrophobicContact CB-CG 3.96Å; H14-K17 PolarHBondContact O-N 3.26Å; H14-K17 VanDerWaalsContact O-N 3.07Å; H14-I18 PolarHBondContact O-N 2.8Å
15F75.7Confident75.8Confident68 Ų6874.6 Ų74.630%0.29839%0.389SS..Hα-helixtrans-51.9-41.6176.3-177.4-91.9000112.1K17 I18 T19 V39 S42 Q43 V46F15-K17 VanDerWaalsContact C-N 3.34Å; F15-K17 PolarHBondContact O-N 2.56Å; F15-I18 PolarHBondContact O-N 3.07Å; F15-T19 WeakPolarHBondContact CE1-OG1 3.43Å; F15-T19 WeakPolarHBondContact O-CB 3.41Å; F15-T19 PolarHBondContact O-N 3.39Å; F15-T19 PolarHBondContact O-OG1 3.28Å; F15-V39 HydrophobicContact CZ-CG1 4.05Å; F15-S42 VanDerWaalsContact CE2-CB 3.46Å; F15-Q43 HydrophobicContact CE2-CG 3.92Å; F15-Q43 HydrophobicContact CZ-CG 4.13Å; F15-V46 HydrophobicContact CD2-CG2 4.04Å
16D78.3Confident77Confident122 Ų12271.4 Ų71.465%0.65238%0.376SS*.Hα-helixtrans-66.9-32.6-179-60.4-34.6000113.1H14 S20H14-D16 PolarHBondContact O-N 2.82Å; D16-S20 WeakPolarHBondContact O-CB 3.22Å; D16-S20 PolarHBondContact O-N 3.32Å
17K79.9Confident78.3Confident107 Ų10772.1 Ų72.147%0.46536%0.364SS..Hα-helixtrans-68.8-43.1176.8-75.4-175.8174.4169.80111.1E11 H14 F15 S20 R21E11-K17 IonicContact OE1-NZ 3.18Å; E11-K17 PolarHBondContact OE1-NZ 3.03Å; H14-K17 HydrophobicContact CB-CB 4.14Å; H14-K17 HydrophobicContact CB-CD 4.1Å; H14-K17 HydrophobicContact CB-CG 3.96Å; H14-K17 PolarHBondContact O-N 3.26Å; H14-K17 VanDerWaalsContact O-N 3.07Å; F15-K17 VanDerWaalsContact C-N 3.34Å; F15-K17 PolarHBondContact O-N 2.56Å; K17-S20 PolarHBondContact O-N 3.23Å; K17-R21 WeakPolarHBondContact O-CB 3.47Å; K17-R21 PolarHBondContact O-N 3.36Å
18I79.6Confident79Confident16 Ų1672 Ų728%0.08238%0.383CS..Hα-helixtrans-60.7-51175.4-62173.8000109.4V13 H14 F15 S20 R21 I22 V46 L58V13-I18 HydrophobicContact CG1-CD1 4.07Å; H14-I18 PolarHBondContact O-N 2.8Å; F15-I18 PolarHBondContact O-N 3.07Å; I18-S20 PolarHBondContact O-N 3.26Å; I18-R21 PolarHBondContact O-N 3.33Å; I18-I22 HydrophobicContact CG2-CD1 3.96Å; I18-I22 WeakPolarHBondContact O-CG1 3.41Å; I18-I22 PolarHBondContact O-N 3.41Å; I18-V46 HydrophobicContact CD1-CG2 4.07Å; I18-L58 HydrophobicContact CD1-CD1 4.06Å; I18-L58 HydrophobicContact CD1-CD2 4.17Å; I18-L58 HydrophobicContact CG1-CD2 4.17Å
19T81.5Confident79.6Confident20 Ų2069.9 Ų69.912%0.12336%0.359CS..Hα-helixtrans-60.7-44-179.5-53.50000111.7F15 R21 I22 K23 K38 S42F15-T19 WeakPolarHBondContact CE1-OG1 3.43Å; F15-T19 WeakPolarHBondContact O-CB 3.41Å; F15-T19 PolarHBondContact O-N 3.39Å; F15-T19 PolarHBondContact O-OG1 3.28Å; T19-R21 VanDerWaalsContact C-N 3.34Å; T19-R21 PolarHBondContact O-N 2.9Å; T19-I22 PolarHBondContact O-N 2.97Å; T19-K23 WeakPolarHBondContact O-CB 3.31Å; T19-K23 PolarHBondContact O-N 3.43Å; T19-K38 HydrophobicContact CG2-CG 4.35Å; T19-S42 WeakPolarHBondContact OG1-CB 3.37Å; T19-S42 PolarHBondContact OG1-OG 3.32Å; T19-S42 VanDerWaalsContact OG1-OG 3.12Å
20S83.3Confident79.5Confident58 Ų5864.5 Ų64.541%0.40634%0.343SS..Hα-helixtrans-61.9-40.7177.7179.70000112.1D16 K17 I18 K23 K24D16-S20 WeakPolarHBondContact O-CB 3.22Å; D16-S20 PolarHBondContact O-N 3.32Å; K17-S20 PolarHBondContact O-N 3.23Å; I18-S20 PolarHBondContact O-N 3.26Å; S20-K23 WeakPolarHBondContact O-CB 3.23Å; S20-K23 PolarHBondContact O-N 3.4Å; S20-K24 WeakPolarHBondContact O-CG 3.35Å; S20-K24 PolarHBondContact O-N 3.22Å; S20-K24 VanDerWaalsContact O-N 3.17Å
21R83Confident79.6Confident57 Ų5764.1 Ų64.122%0.21533%0.334CS..Hα-helixtrans-64.9-45.8176.2-174.6177177.5-172.7-10.5112.1K17 I18 T19 K23 K24 D59 K90K17-R21 WeakPolarHBondContact O-CB 3.47Å; K17-R21 PolarHBondContact O-N 3.36Å; I18-R21 PolarHBondContact O-N 3.33Å; T19-R21 VanDerWaalsContact C-N 3.34Å; T19-R21 PolarHBondContact O-N 2.9Å; R21-K23 VanDerWaalsContact C-N 3.31Å; R21-K23 PolarHBondContact O-N 3.03Å; R21-K24 PolarHBondContact O-N 3.32Å; R21-D59 VanDerWaalsContact CZ-CG 3.42Å; R21-D59 IonicContact CZ-OD1 2.72Å; R21-D59 IonicContact CZ-OD2 3.84Å; R21-D59 IonicContact NE-OD1 2.67Å; R21-D59 IonicContact NH1-OD1 2.56Å; R21-D59 PolarHBondContact NH1-OD1 3.35Å; R21-D59 IonicContact NH1-OD2 2.7Å; R21-D59 PolarHBondContact NH1-OD2 3.08Å; R21-D59 IonicContact NH2-OD1 3.77Å; R21-D59 PolarHBondContact NH2-OD1 2.86Å; R21-D59 IonicContact NH2-OD2 3.56Å; R21-D59 PolarHBondContact NH2-OD2 3.41Å; R21-K90 VanDerWaalsContact NH2-NZ 3.14Å
22I83.6Confident79.4Confident7 Ų767.5 Ų67.54%0.03636%0.355CS..Hα-helixtrans-61.5-42.9176.3-65.6169.7000109.8I18 T19 K24 L25 C26 I41 L79 I83I18-I22 HydrophobicContact CG2-CD1 3.96Å; I18-I22 WeakPolarHBondContact O-CG1 3.41Å; I18-I22 PolarHBondContact O-N 3.41Å; T19-I22 PolarHBondContact O-N 2.97Å; I22-K24 VanDerWaalsContact C-N 3.29Å; I22-K24 PolarHBondContact O-N 3.25Å; I22-L25 WeakPolarHBondContact O-CB 3.48Å; I22-L25 PolarHBondContact O-N 3.03Å; I22-C26 PolarHBondContact O-N 3.23Å; I22-C26 PolarHBondContact O-SG 2.88Å; I22-C26 VanDerWaalsContact O-SG 3.33Å; I22-I41 HydrophobicContact CD1-CG2 3.82Å; I22-L79 HydrophobicContact CG2-CD1 4.27Å; I22-L79 HydrophobicContact CG2-CD2 4.03Å; I22-I83 HydrophobicContact CG1-CD1 4.49Å
23K84Confident79.3Confident124 Ų12468.5 Ų68.554%0.53935%0.352SS..Hα-helixtrans-56.2-40.2178.4-173179.7-178.6-178.90112.8T19 S20 R21 L25 C26T19-K23 WeakPolarHBondContact O-CB 3.31Å; T19-K23 PolarHBondContact O-N 3.43Å; S20-K23 WeakPolarHBondContact O-CB 3.23Å; S20-K23 PolarHBondContact O-N 3.4Å; R21-K23 VanDerWaalsContact C-N 3.31Å; R21-K23 PolarHBondContact O-N 3.03Å; K23-L25 PolarHBondContact O-N 3.1Å; K23-C26 PolarHBondContact O-N 3.17Å; K23-C26 VanDerWaalsContact O-N 3.14Å
24K85.9Confident79Confident162 Ų16267.1 Ų67.170%0.70434%0.343SS*.Hα-helixtrans-62-23.7177.2-71.3179.1-177.8-1750113.3S20 R21 I22 Y27S20-K24 WeakPolarHBondContact O-CG 3.35Å; S20-K24 PolarHBondContact O-N 3.22Å; S20-K24 VanDerWaalsContact O-N 3.17Å; R21-K24 PolarHBondContact O-N 3.32Å; I22-K24 VanDerWaalsContact C-N 3.29Å; I22-K24 PolarHBondContact O-N 3.25Å; K24-Y27 WeakPolarHBondContact O-CD1 3.4Å
25L86.4Confident78.3Confident17 Ų1766.6 Ų66.69%0.08934%0.341CS..THydrogen-bonded Turntrans-93.1-3.2-179.8-59.7174.7000113I22 K23 Y27 L79 R82 I83I22-L25 WeakPolarHBondContact O-CB 3.48Å; I22-L25 PolarHBondContact O-N 3.03Å; K23-L25 PolarHBondContact O-N 3.1Å; L25-Y27 VanDerWaalsContact C-N 3.3Å; L25-Y27 PolarHBondContact O-N 3.49Å; L25-L79 HydrophobicContact CB-CD1 3.9Å; L25-R82 HydrophobicContact CB-CB 4.23Å; L25-R82 HydrophobicContact CD2-CB 4.47Å; L25-R82 WeakPolarHBondContact O-CD 3.39Å; L25-R82 PolarHBondContact O-NH1 3.38Å; L25-I83 HydrophobicContact CD1-CB 4.32Å; L25-I83 HydrophobicContact CD1-CG1 3.71Å
26C84.4Confident77.3Confident7 Ų767.6 Ų67.65%0.04736%0.355CS..  trans-86.212.6-179.7-62.30000114.5I22 K23 G28 L29 M31 V34I22-C26 PolarHBondContact O-N 3.23Å; I22-C26 PolarHBondContact O-SG 2.88Å; I22-C26 VanDerWaalsContact O-SG 3.33Å; K23-C26 PolarHBondContact O-N 3.17Å; K23-C26 VanDerWaalsContact O-N 3.14Å; C26-G28 PolarHBondContact O-N 3.32Å; C26-L29 HydrophobicContact CB-CD1 4.3Å; C26-L29 WeakPolarHBondContact O-CB 3.19Å; C26-L29 PolarHBondContact O-N 2.95Å; C26-L29 VanDerWaalsContact O-N 3.16Å; C26-M31 HydrophobicContact CB-SD 3.97Å; C26-V34 HydrophobicContact CB-CG1 4.49Å
27Y84.3Confident76.4Confident116 Ų11662.8 Ų62.846%0.45533%0.33SS..THydrogen-bonded Turntrans-59.2129-177.659.3-89.8000112.3K24 L25 L29 R82K24-Y27 WeakPolarHBondContact O-CD1 3.4Å; L25-Y27 VanDerWaalsContact C-N 3.3Å; L25-Y27 PolarHBondContact O-N 3.49Å; Y27-L29 PolarHBondContact O-N 2.92Å; Y27-R82 VanDerWaalsContact CE2-CZ 3.42Å; Y27-R82 VanDerWaalsContact CZ-CZ 3.42Å; Y27-R82 PolarHBondContact O-NH1 3.44Å; Y27-R82 PolarHBondContact O-NH2 3.44Å
28G80.6Confident75.5Confident86 Ų8659.8 Ų59.889%0.88732%0.316SS*.THydrogen-bonded Turntrans68.310.9-179.600000115.4C26C26-G28 PolarHBondContact O-N 3.32Å
29L81.4Confident74.6Confident15 Ų1561.6 Ų61.68%0.07933%0.328CS..SBendtrans-87.5154169.2-53.7-174.5000109.7C26 Y27 M31 V34 D75 V78 L79C26-L29 HydrophobicContact CB-CD1 4.3Å; C26-L29 WeakPolarHBondContact O-CB 3.19Å; C26-L29 PolarHBondContact O-N 2.95Å; C26-L29 VanDerWaalsContact O-N 3.16Å; Y27-L29 PolarHBondContact O-N 2.92Å; L29-M31 PolarHBondContact O-N 3.46Å; L29-V34 HydrophobicContact CB-CG2 4.22Å; L29-D75 HydrophobicContact CB-CB 4.12Å; L29-D75 HydrophobicContact CD1-CB 4.31Å; L29-D75 HydrophobicContact CD2-CB 3.99Å; L29-D75 HydrophobicContact CG-CB 4.35Å; L29-V78 HydrophobicContact CD2-CB 4.06Å; L29-V78 HydrophobicContact CD2-CG1 3.88Å; L29-L79 HydrophobicContact CD1-CB 3.92Å; L29-L79 HydrophobicContact CD1-CD1 4.4Å
30N74.4Confident73.8Confident61 Ų6163.1 Ų63.133%0.32634%0.336SS..  trans-68102.4174.8-172.9-21.9000109.8D32 H33 V34 D75N30-D32 VanDerWaalsContact C-N 3.26Å; N30-D32 PolarHBondContact O-N 3.45Å; N30-D32 WeakPolarHBondContact OD1-CB 3.29Å; N30-D32 PolarHBondContact OD1-N 2.82Å; N30-H33 PolarHBondContact O-N 3.21Å; N30-V34 WeakPolarHBondContact O-CG2 3.22Å; N30-V34 PolarHBondContact O-N 3.02Å; N30-V34 VanDerWaalsContact O-N 3.08Å; N30-D75 PolarHBondContact N-OD2 3.29Å
31M74.3Confident73.3Confident56 Ų5660.4 Ų60.428%0.27632%0.316SS..Hα-helixtrans-66.8-26.6-177-66.1-59.9-63.800112.2C26 L29 H33 V34 E35C26-M31 HydrophobicContact CB-SD 3.97Å; L29-M31 PolarHBondContact O-N 3.46Å; M31-H33 PolarHBondContact O-N 3.41Å; M31-H33 VanDerWaalsContact O-N 3.14Å; M31-V34 PolarHBondContact O-N 3.47Å; M31-E35 HydrophobicContact CE-CB 4.29Å; M31-E35 WeakPolarHBondContact CE-OE2 3.42Å; M31-E35 WeakPolarHBondContact O-CA 3.49Å; M31-E35 WeakPolarHBondContact O-CB 3.47Å; M31-E35 PolarHBondContact O-N 3.34Å
32D69.8Low73Confident135 Ų13557.7 Ų57.772%0.72231%0.306SS*.Hα-helixtrans-59.8-32.1178.9-60.9-28.4000112N30 P36N30-D32 VanDerWaalsContact C-N 3.26Å; N30-D32 PolarHBondContact O-N 3.45Å; N30-D32 WeakPolarHBondContact OD1-CB 3.29Å; N30-D32 PolarHBondContact OD1-N 2.82Å; D32-P36 WeakPolarHBondContact O-CD 3.43Å
33H68.6Low72.7Confident85 Ų8562.2 Ų62.239%0.39433%0.327SS..Hα-helixtrans-96.1-32.1176.8-65-60.3000113.6N30 M31 V37 H73N30-H33 PolarHBondContact O-N 3.21Å; M31-H33 PolarHBondContact O-N 3.41Å; M31-H33 VanDerWaalsContact O-N 3.14Å; H33-V37 VanDerWaalsContact O-CG2 3.31Å; H33-V37 WeakPolarHBondContact O-CG2 3.48Å; H33-H73 HydrophobicContact CB-CB 4.37Å; H33-H73 AromaticContact CD2-CD2 3.39Å; H33-H73 PolarHBondContact CD2-CD2 3.2Å; H33-H73 AromaticContact CD2-NE2 3.4Å; H33-H73 PolarHBondContact CD2-NE2 3.31Å; H33-H73 AromaticContact CG-CD2 3.59Å
34V64.9Low72.5Confident1 Ų161.3 Ų61.31%0.00632%0.323CS..Hα-helixtrans-83.6-30.9-176.6177.40000112.2C26 L29 N30 M31 V37 K38 D75 F76 L79C26-V34 HydrophobicContact CB-CG1 4.49Å; L29-V34 HydrophobicContact CB-CG2 4.22Å; N30-V34 WeakPolarHBondContact O-CG2 3.22Å; N30-V34 PolarHBondContact O-N 3.02Å; N30-V34 VanDerWaalsContact O-N 3.08Å; M31-V34 PolarHBondContact O-N 3.47Å; V34-V37 CarbonylContact O-C 3.54Å; V34-V37 PolarHBondContact O-N 3.03Å; V34-V37 VanDerWaalsContact O-N 3.09Å; V34-K38 PolarHBondContact O-N 3.12Å; V34-D75 HydrophobicContact CG2-CB 4.15Å; V34-F76 HydrophobicContact CG1-CE1 4.39Å; V34-F76 HydrophobicContact CG2-CE1 4.34Å; V34-F76 HydrophobicContact CG2-CZ 4.27Å; V34-L79 HydrophobicContact CG1-CD2 4.39Å
35E60.4Low72.1Confident78 Ų7853.6 Ų53.636%0.36429%0.289SS..Hα-helixtrans-66-41.7-174.5-168.6118.7-132.500114.3M31 V37 K38M31-E35 HydrophobicContact CE-CB 4.29Å; M31-E35 WeakPolarHBondContact CE-OE2 3.42Å; M31-E35 WeakPolarHBondContact O-CA 3.49Å; M31-E35 WeakPolarHBondContact O-CB 3.47Å; M31-E35 PolarHBondContact O-N 3.34Å; E35-V37 PolarHBondContact O-N 2.86Å; E35-K38 HydrophobicContact CG-CD 4.4Å; E35-K38 WeakPolarHBondContact O-CD 3.17Å; E35-K38 VanDerWaalsContact O-CE 3.32Å; E35-K38 WeakPolarHBondContact O-CE 3.35Å; E35-K38 VanDerWaalsContact O-CG 3.27Å; E35-K38 WeakPolarHBondContact O-CG 3.11Å; E35-K38 IonicContact OE1-NZ 2.98Å; E35-K38 PolarHBondContact OE1-NZ 2.83Å
36P54.9Low71.9Confident90 Ų9055.4 Ų55.458%0.58430%0.301SS*.Hα-helixtrans-64.8-26.3172.3-18.431.5000112D32D32-P36 WeakPolarHBondContact O-CD 3.43Å
37V58.5Low71.6Confident20 Ų2059.3 Ų59.312%0.12133%0.334CS..Hα-helixtrans-98-18.9-168.1-174.60000112.4H33 V34 E35 V39 L40 I41 M69 F76H33-V37 VanDerWaalsContact O-CG2 3.31Å; H33-V37 WeakPolarHBondContact O-CG2 3.48Å; V34-V37 CarbonylContact O-C 3.54Å; V34-V37 PolarHBondContact O-N 3.03Å; V34-V37 VanDerWaalsContact O-N 3.09Å; E35-V37 PolarHBondContact O-N 2.86Å; V37-V39 PolarHBondContact O-N 3.26Å; V37-L40 HydrophobicContact CG1-CB 4.16Å; V37-L40 HydrophobicContact CG1-CD2 4.23Å; V37-L40 CarbonylContact O-C 3.59Å; V37-L40 WeakPolarHBondContact O-CA 3.48Å; V37-L40 WeakPolarHBondContact O-CB 3.45Å; V37-L40 PolarHBondContact O-N 2.88Å; V37-I41 HydrophobicContact CG1-CD1 4.45Å; V37-I41 HydrophobicContact CG1-CG1 4.23Å; V37-I41 PolarHBondContact O-N 3.36Å; V37-M69 HydrophobicContact CG1-CE 4.37Å; V37-M69 HydrophobicContact CG1-SD 3.26Å; V37-M69 WeakPolarHBondContact CG1-SD 3.27Å; V37-F76 HydrophobicContact CB-CE1 3.7Å; V37-F76 HydrophobicContact CB-CE2 4.46Å; V37-F76 HydrophobicContact CB-CZ 3.38Å; V37-F76 HydrophobicContact CG1-CD1 4.37Å; V37-F76 HydrophobicContact CG1-CE1 3.36Å; V37-F76 HydrophobicContact CG1-CE2 4.25Å; V37-F76 HydrophobicContact CG1-CZ 3.32Å; V37-F76 HydrophobicContact CG2-CE1 4.47Å; V37-F76 HydrophobicContact CG2-CE2 4.38Å; V37-F76 HydrophobicContact CG2-CZ 3.66Å
38K62.2Low71.2Confident44 Ų4455.8 Ų55.819%0.19133%0.333CS..Hα-helixtrans-54.5-38.3172.577.9-166.5169.5177.70111.8T19 V34 E35 S42T19-K38 HydrophobicContact CG2-CG 4.35Å; V34-K38 PolarHBondContact O-N 3.12Å; E35-K38 HydrophobicContact CG-CD 4.4Å; E35-K38 WeakPolarHBondContact O-CD 3.17Å; E35-K38 VanDerWaalsContact O-CE 3.32Å; E35-K38 WeakPolarHBondContact O-CE 3.35Å; E35-K38 VanDerWaalsContact O-CG 3.27Å; E35-K38 WeakPolarHBondContact O-CG 3.11Å; E35-K38 IonicContact OE1-NZ 2.98Å; E35-K38 PolarHBondContact OE1-NZ 2.83Å; K38-S42 WeakPolarHBondContact O-CB 3.37Å; K38-S42 PolarHBondContact O-N 3.44Å; K38-S42 PolarHBondContact O-OG 3.17Å
39V59.9Low71.1Confident54 Ų5452.7 Ų52.733%0.32730%0.296SS..Hα-helixtrans-70.6-42.3176.2179.50000109.2F15 V37 S42 Q43F15-V39 HydrophobicContact CZ-CG1 4.05Å; V37-V39 PolarHBondContact O-N 3.26Å; V39-S42 PolarHBondContact O-N 2.77Å; V39-Q43 HydrophobicContact CG1-CG 4.19Å; V39-Q43 VanDerWaalsContact O-CB 3.29Å; V39-Q43 WeakPolarHBondContact O-CB 3.39Å; V39-Q43 WeakPolarHBondContact O-CG 3.29Å; V39-Q43 PolarHBondContact O-N 2.8Å
40L65.8Low71Confident53 Ų5357.9 Ų57.928%0.27732%0.315SS..Hα-helixtrans-63.8-41.8178-162.886.3000112.8V37 Q43 K44 M69V37-L40 HydrophobicContact CG1-CB 4.16Å; V37-L40 HydrophobicContact CG1-CD2 4.23Å; V37-L40 CarbonylContact O-C 3.59Å; V37-L40 WeakPolarHBondContact O-CA 3.48Å; V37-L40 WeakPolarHBondContact O-CB 3.45Å; V37-L40 PolarHBondContact O-N 2.88Å; L40-Q43 PolarHBondContact O-N 2.94Å; L40-K44 WeakPolarHBondContact O-CB 3.44Å; L40-K44 WeakPolarHBondContact O-CG 3.48Å; L40-K44 PolarHBondContact O-N 2.78Å; L40-M69 HydrophobicContact CD2-CE 3.54Å; L40-M69 HydrophobicContact CD2-SD 4.19Å; L40-M69 HydrophobicContact CG-CE 4.1Å
41I71.9Confident71Confident0 Ų064.6 Ų64.60%034%0.336CS..Hα-helixtrans-62-50.7174.9-65168.8000108.7I22 V37 Q43 K44 V45 V65 A66 M69 F76 L79I22-I41 HydrophobicContact CD1-CG2 3.82Å; V37-I41 HydrophobicContact CG1-CD1 4.45Å; V37-I41 HydrophobicContact CG1-CG1 4.23Å; V37-I41 PolarHBondContact O-N 3.36Å; I41-Q43 VanDerWaalsContact C-N 3.3Å; I41-Q43 PolarHBondContact O-N 3.2Å; I41-K44 PolarHBondContact O-N 3.15Å; I41-V45 HydrophobicContact CG2-CG2 4.12Å; I41-V45 WeakPolarHBondContact O-CB 3.23Å; I41-V45 WeakPolarHBondContact O-CG2 3.37Å; I41-V45 PolarHBondContact O-N 2.9Å; I41-V65 HydrophobicContact CB-CG1 4.47Å; I41-V65 HydrophobicContact CG1-CG1 4.41Å; I41-V65 HydrophobicContact CG2-CG1 4.17Å; I41-A66 HydrophobicContact CD1-CB 4.18Å; I41-M69 HydrophobicContact CD1-SD 4.26Å; I41-M69 HydrophobicContact CG1-CE 3.94Å; I41-M69 HydrophobicContact CG1-SD 3.59Å; I41-M69 VanDerWaalsContact CG1-SD 3.59Å; I41-F76 HydrophobicContact CD1-CD1 4.06Å; I41-F76 HydrophobicContact CD1-CE1 4.04Å; I41-L79 HydrophobicContact CD1-CD2 3.89Å
42S75.8Confident71.1Confident0 Ų063.3 Ų63.30%034%0.337CS..Hα-helixtrans-61.1-39.6179.9-54.70000111.8F15 T19 K38 V39 V46F15-S42 VanDerWaalsContact CE2-CB 3.46Å; T19-S42 WeakPolarHBondContact OG1-CB 3.37Å; T19-S42 PolarHBondContact OG1-OG 3.32Å; T19-S42 VanDerWaalsContact OG1-OG 3.12Å; K38-S42 WeakPolarHBondContact O-CB 3.37Å; K38-S42 PolarHBondContact O-N 3.44Å; K38-S42 PolarHBondContact O-OG 3.17Å; V39-S42 PolarHBondContact O-N 2.77Å; S42-V46 WeakPolarHBondContact O-CB 3.44Å; S42-V46 VanDerWaalsContact O-CG2 3.23Å; S42-V46 WeakPolarHBondContact O-CG2 3.43Å; S42-V46 PolarHBondContact O-N 3.16Å
43Q77.8Confident71.6Confident102 Ų10257.1 Ų57.148%0.47731%0.305SS..Hα-helixtrans-64.3-48.1175.4-78.7172.8-15.200111.9F15 V39 L40 I41 V45 V46 A47F15-Q43 HydrophobicContact CE2-CG 3.92Å; F15-Q43 HydrophobicContact CZ-CG 4.13Å; V39-Q43 HydrophobicContact CG1-CG 4.19Å; V39-Q43 VanDerWaalsContact O-CB 3.29Å; V39-Q43 WeakPolarHBondContact O-CB 3.39Å; V39-Q43 WeakPolarHBondContact O-CG 3.29Å; V39-Q43 PolarHBondContact O-N 2.8Å; L40-Q43 PolarHBondContact O-N 2.94Å; I41-Q43 VanDerWaalsContact C-N 3.3Å; I41-Q43 PolarHBondContact O-N 3.2Å; Q43-V45 VanDerWaalsContact C-N 3.35Å; Q43-V46 PolarHBondContact O-N 3.34Å; Q43-A47 WeakPolarHBondContact O-CB 3.48Å; Q43-A47 PolarHBondContact O-N 2.69Å
44K79.3Confident72.3Confident105 Ų10555.5 Ų55.546%0.45730%0.3SS..Hα-helixtrans-64.7-39.6178.3-77.8-168179.4-167.10112.2L40 I41 A47 G48 V65 M69L40-K44 WeakPolarHBondContact O-CB 3.44Å; L40-K44 WeakPolarHBondContact O-CG 3.48Å; L40-K44 PolarHBondContact O-N 2.78Å; I41-K44 PolarHBondContact O-N 3.15Å; K44-A47 PolarHBondContact O-N 3.47Å; K44-G48 PolarHBondContact O-N 2.8Å; K44-V65 HydrophobicContact CB-CG1 3.84Å; K44-V65 HydrophobicContact CB-CG2 4.42Å; K44-V65 HydrophobicContact CD-CG1 3.98Å; K44-M69 HydrophobicContact CD-CE 3.67Å
45V79.3Confident73.1Confident0 Ų056.5 Ų56.50%031%0.307CS..Hα-helixtrans-62-50.3174.5170.60000109.5I41 Q43 A47 G48 L49 L58 L61 A62 V65I41-V45 HydrophobicContact CG2-CG2 4.12Å; I41-V45 WeakPolarHBondContact O-CB 3.23Å; I41-V45 WeakPolarHBondContact O-CG2 3.37Å; I41-V45 PolarHBondContact O-N 2.9Å; Q43-V45 VanDerWaalsContact C-N 3.35Å; V45-A47 VanDerWaalsContact C-N 3.3Å; V45-A47 PolarHBondContact O-N 3.32Å; V45-G48 PolarHBondContact O-N 2.67Å; V45-L49 HydrophobicContact CG1-CD2 4.34Å; V45-L49 VanDerWaalsContact O-CG 3.31Å; V45-L49 WeakPolarHBondContact O-CG 3.47Å; V45-L49 PolarHBondContact O-N 3.39Å; V45-L58 HydrophobicContact CG1-CD1 3.37Å; V45-L58 HydrophobicContact CG1-CG 4.42Å; V45-L61 HydrophobicContact CG1-CD2 4.28Å; V45-L61 HydrophobicContact CG2-CG 4.46Å; V45-A62 HydrophobicContact CG2-CB 3.84Å; V45-V65 HydrophobicContact CG2-CB 4.42Å; V45-V65 HydrophobicContact CG2-CG2 4.3Å
46V80.6Confident74.3Confident56 Ų5654.5 Ų54.534%0.33930%0.3SS..Hα-helixtrans-60.3-37.7178.61690000112.4F15 I18 S42 Q43 G48 L49F15-V46 HydrophobicContact CD2-CG2 4.04Å; I18-V46 HydrophobicContact CD1-CG2 4.07Å; S42-V46 WeakPolarHBondContact O-CB 3.44Å; S42-V46 VanDerWaalsContact O-CG2 3.23Å; S42-V46 WeakPolarHBondContact O-CG2 3.43Å; S42-V46 PolarHBondContact O-N 3.16Å; Q43-V46 PolarHBondContact O-N 3.34Å; V46-G48 PolarHBondContact O-N 2.65Å; V46-L49 HydrophobicContact CB-CD1 4.46Å; V46-L49 HydrophobicContact CG2-CD1 4.18Å; V46-L49 PolarHBondContact O-N 2.96Å
47A79Confident75.7Confident88 Ų8854 Ų5473%0.72729%0.29SS*.Hα-helixtrans-65.2-26.3175.900000113.4Q43 K44 V45Q43-A47 WeakPolarHBondContact O-CB 3.48Å; Q43-A47 PolarHBondContact O-N 2.69Å; K44-A47 PolarHBondContact O-N 3.47Å; V45-A47 VanDerWaalsContact C-N 3.3Å; V45-A47 PolarHBondContact O-N 3.32Å
48G76Confident77Confident43 Ų4353.6 Ų53.644%0.44329%0.287SS..THydrogen-bonded Turntrans-90.2017700000114.9K44 V45 V46K44-G48 PolarHBondContact O-N 2.8Å; V45-G48 PolarHBondContact O-N 2.67Å; V46-G48 PolarHBondContact O-N 2.65Å
49L78.3Confident78.1Confident20 Ų2052 Ų5211%0.10528%0.28CS..  trans-79.4147.1-176.4-58.4178000112.6M1 V13 V45 V46 V53 L58 L61M1-L49 HydrophobicContact CE-CB 4.27Å; M1-L49 WeakPolarHBondContact CE-O 3.31Å; M1-L49 HydrophobicContact SD-CB 3.45Å; M1-L49 WeakPolarHBondContact SD-CB 3.18Å; M1-L49 HydrophobicContact SD-CD1 4.48Å; V13-L49 HydrophobicContact CG1-CD1 3.88Å; V13-L49 HydrophobicContact CG2-CD1 4.28Å; V45-L49 HydrophobicContact CG1-CD2 4.34Å; V45-L49 VanDerWaalsContact O-CG 3.31Å; V45-L49 WeakPolarHBondContact O-CG 3.47Å; V45-L49 PolarHBondContact O-N 3.39Å; V46-L49 HydrophobicContact CB-CD1 4.46Å; V46-L49 HydrophobicContact CG2-CD1 4.18Å; V46-L49 PolarHBondContact O-N 2.96Å; L49-V53 HydrophobicContact CB-CG1 4.45Å; L49-V53 HydrophobicContact CD2-CG1 3.96Å; L49-V53 HydrophobicContact CD2-CG2 4.35Å; L49-L58 HydrophobicContact CD1-CD1 4.11Å; L49-L58 HydrophobicContact CD2-CD1 3.36Å; L49-L58 HydrophobicContact CG-CD1 4.33Å; L49-L61 HydrophobicContact CD2-CD2 4.44Å
50Y78.8Confident79.3Confident124 Ų12451.8 Ų51.849%0.48628%0.277SS..  trans-126.6160.1170.359.8-88.7000110.1G52 V53 E57Y50-G52 PolarHBondContact O-N 3.32Å; Y50-V53 HydrophobicContact CE1-CB 4.36Å; Y50-V53 HydrophobicContact CE1-CG2 4.25Å; Y50-V53 HydrophobicContact CE2-CB 4.34Å; Y50-V53 WeakPolarHBondContact O-CB 3.5Å; Y50-V53 WeakPolarHBondContact O-CG1 3.49Å; Y50-V53 PolarHBondContact O-N 2.91Å; Y50-E57 PolarHBondContact OH-OE1 3.33Å
51R74.6Confident80.3Confident203 Ų20351.5 Ų51.577%0.76628%0.276SS*.THydrogen-bonded Turntrans-65.8125.5179.8-173.9-179.9-179.1176.8-0.1109.2
52G76.8Confident81Confident29 Ų2951.6 Ų51.630%0.29928%0.277SS..THydrogen-bonded Turntrans103.9-5.9-177.900000114.7Y50 T54Y50-G52 PolarHBondContact O-N 3.32Å; G52-T54 PolarHBondContact O-N 3.27Å
53V81Confident81.6Confident5 Ų551.6 Ų51.63%0.0328%0.277CS..  trans-57.7132.6179.469.40000111.5L3 F4 L49 Y50 E57L3-V53 HydrophobicContact CD2-CG1 3.63Å; F4-V53 PolarHBondContact N-O 3.17Å; L49-V53 HydrophobicContact CB-CG1 4.45Å; L49-V53 HydrophobicContact CD2-CG1 3.96Å; L49-V53 HydrophobicContact CD2-CG2 4.35Å; Y50-V53 HydrophobicContact CE1-CB 4.36Å; Y50-V53 HydrophobicContact CE1-CG2 4.25Å; Y50-V53 HydrophobicContact CE2-CB 4.34Å; Y50-V53 WeakPolarHBondContact O-CB 3.5Å; Y50-V53 WeakPolarHBondContact O-CG1 3.49Å; Y50-V53 PolarHBondContact O-N 2.91Å; V53-E57 HydrophobicContact CG2-CB 3.69Å
54T82.7Confident82Confident50 Ų5049.4 Ų49.431%0.30727%0.267SS..BIsolated β-bridgetrans-80.4159.4178.463.50000111F4 G52 V56 E57 L58F4-T54 WeakPolarHBondContact O-CA 3Å; G52-T54 PolarHBondContact O-N 3.27Å; T54-V56 PolarHBondContact O-N 3.38Å; T54-E57 WeakPolarHBondContact CB-OE2 3.37Å; T54-E57 PolarHBondContact N-OE2 3.41Å; T54-E57 PolarHBondContact O-N 2.75Å; T54-E57 WeakPolarHBondContact OG1-CB 3.33Å; T54-E57 VanDerWaalsContact OG1-CD 3.3Å; T54-E57 VanDerWaalsContact OG1-CG 3.22Å; T54-E57 WeakPolarHBondContact OG1-CG 3.25Å; T54-E57 PolarHBondContact OG1-N 2.94Å; T54-E57 PolarHBondContact OG1-OE2 3.5Å; T54-L58 WeakPolarHBondContact O-CB 3.33Å; T54-L58 PolarHBondContact O-N 3.35Å
55T82.1Confident82.3Confident22 Ų2245.2 Ų45.214%0.13525%0.25CC..Hα-helixtrans-60.8-29.1174.553.30000113.1F4 F5 D59F4-T55 PolarHBondContact O-N 3.09Å; F5-T55 HydrophobicContact CD1-CG2 3.84Å; F5-T55 HydrophobicContact CE1-CG2 4.09Å; T55-D59 VanDerWaalsContact O-CG 3.28Å; T55-D59 PolarHBondContact O-N 3.47Å; T55-D59 VanDerWaalsContact O-N 3.1Å
56V84.3Confident82.7Confident37 Ų3745.2 Ų45.222%0.22425%0.25CC..Hα-helixtrans-72.5-44.5179179.10000110.8T54 L58 D59 N60 E91T54-V56 PolarHBondContact O-N 3.38Å; V56-L58 VanDerWaalsContact C-N 3.31Å; V56-L58 PolarHBondContact O-N 2.99Å; V56-D59 PolarHBondContact O-N 3.33Å; V56-N60 WeakPolarHBondContact O-CB 3.47Å; V56-N60 VanDerWaalsContact O-CG 3.29Å; V56-N60 PolarHBondContact O-N 3.29Å; V56-N60 PolarHBondContact O-ND2 2.69Å; V56-E91 HydrophobicContact CG2-CG 4.09Å; V56-E91 WeakPolarHBondContact CG2-OE1 3.41Å
57E84.6Confident83Confident79 Ų7942.8 Ų42.837%0.36924%0.235SC..Hα-helixtrans-63.4-39.6175.3-71.8165.9137.300111.4Y50 V53 T54 N60 L61Y50-E57 PolarHBondContact OH-OE1 3.33Å; V53-E57 HydrophobicContact CG2-CB 3.69Å; T54-E57 WeakPolarHBondContact CB-OE2 3.37Å; T54-E57 PolarHBondContact N-OE2 3.41Å; T54-E57 PolarHBondContact O-N 2.75Å; T54-E57 WeakPolarHBondContact OG1-CB 3.33Å; T54-E57 VanDerWaalsContact OG1-CD 3.3Å; T54-E57 VanDerWaalsContact OG1-CG 3.22Å; T54-E57 WeakPolarHBondContact OG1-CG 3.25Å; T54-E57 PolarHBondContact OG1-N 2.94Å; T54-E57 PolarHBondContact OG1-OE2 3.5Å; E57-N60 PolarHBondContact O-N 3.33Å; E57-L61 WeakPolarHBondContact O-CB 3.42Å; E57-L61 PolarHBondContact O-N 3.23Å
58L85.5Confident83.1Confident12 Ų1241.9 Ų41.96%0.06322%0.221CC..Hα-helixtrans-59-47.1174.6179.471.4000111.9L3 I18 V45 L49 T54 V56 L61 A62L3-L58 HydrophobicContact CD1-CD2 4.27Å; L3-L58 HydrophobicContact CD2-CD2 4.02Å; I18-L58 HydrophobicContact CD1-CD1 4.06Å; I18-L58 HydrophobicContact CD1-CD2 4.17Å; I18-L58 HydrophobicContact CG1-CD2 4.17Å; V45-L58 HydrophobicContact CG1-CD1 3.37Å; V45-L58 HydrophobicContact CG1-CG 4.42Å; L49-L58 HydrophobicContact CD1-CD1 4.11Å; L49-L58 HydrophobicContact CD2-CD1 3.36Å; L49-L58 HydrophobicContact CG-CD1 4.33Å; T54-L58 WeakPolarHBondContact O-CB 3.33Å; T54-L58 PolarHBondContact O-N 3.35Å; V56-L58 VanDerWaalsContact C-N 3.31Å; V56-L58 PolarHBondContact O-N 2.99Å; L58-L61 PolarHBondContact O-N 2.89Å; L58-A62 WeakPolarHBondContact O-CB 3.48Å; L58-A62 PolarHBondContact O-N 2.88Å
59D85.8Confident83.5Confident9 Ų940.1 Ų40.15%0.04820%0.201CC..Hα-helixtrans-68.1-37.7179.5-72.2-27.9000112.2R21 T55 V56 A62 A63 I83 N87R21-D59 VanDerWaalsContact CZ-CG 3.42Å; R21-D59 IonicContact CZ-OD1 2.72Å; R21-D59 IonicContact CZ-OD2 3.84Å; R21-D59 IonicContact NE-OD1 2.67Å; R21-D59 IonicContact NH1-OD1 2.56Å; R21-D59 PolarHBondContact NH1-OD1 3.35Å; R21-D59 IonicContact NH1-OD2 2.7Å; R21-D59 PolarHBondContact NH1-OD2 3.08Å; R21-D59 IonicContact NH2-OD1 3.77Å; R21-D59 PolarHBondContact NH2-OD1 2.86Å; R21-D59 IonicContact NH2-OD2 3.56Å; R21-D59 PolarHBondContact NH2-OD2 3.41Å; T55-D59 VanDerWaalsContact O-CG 3.28Å; T55-D59 PolarHBondContact O-N 3.47Å; T55-D59 VanDerWaalsContact O-N 3.1Å; V56-D59 PolarHBondContact O-N 3.33Å; D59-A62 PolarHBondContact O-N 3.47Å; D59-A63 WeakPolarHBondContact O-CB 3.44Å; D59-A63 PolarHBondContact O-N 2.98Å; D59-I83 HydrophobicContact CB-CG2 4.47Å; D59-I83 VanDerWaalsContact O-CG2 3.31Å; D59-I83 WeakPolarHBondContact O-CG2 3.41Å; D59-N87 HydrophobicContact CB-CB 3.93Å; D59-N87 PolarHBondContact OD2-OD1 3.36Å
60N85.8Confident83.6Confident50 Ų5039.6 Ų39.627%0.26720%0.2SC..Hα-helixtrans-62.8-46.8174.8-74.5-22.3000111.1V56 E57 A62 A63 E64 N87V56-N60 WeakPolarHBondContact O-CB 3.47Å; V56-N60 VanDerWaalsContact O-CG 3.29Å; V56-N60 PolarHBondContact O-N 3.29Å; V56-N60 PolarHBondContact O-ND2 2.69Å; E57-N60 PolarHBondContact O-N 3.33Å; N60-A62 VanDerWaalsContact C-N 3.31Å; N60-A62 PolarHBondContact O-N 3.45Å; N60-A63 PolarHBondContact O-N 3.42Å; N60-E64 WeakPolarHBondContact O-CG 2.93Å; N60-E64 PolarHBondContact O-N 2.95Å; N60-N87 PolarHBondContact OD1-ND2 2.87Å; N60-N87 VanDerWaalsContact OD1-ND2 3.16Å
61L86.1Confident83.6Confident47 Ų4734.4 Ų34.425%0.24618%0.182CC..Hα-helixtrans-60.5-41.7175.3-178.262.1000111.4V45 L49 E57 L58 A63 E64 V65V45-L61 HydrophobicContact CG1-CD2 4.28Å; V45-L61 HydrophobicContact CG2-CG 4.46Å; L49-L61 HydrophobicContact CD2-CD2 4.44Å; E57-L61 WeakPolarHBondContact O-CB 3.42Å; E57-L61 PolarHBondContact O-N 3.23Å; L58-L61 PolarHBondContact O-N 2.89Å; L61-A63 PolarHBondContact O-N 2.64Å; L61-E64 PolarHBondContact O-N 3.21Å; L61-V65 HydrophobicContact CD1-CG2 4.18Å; L61-V65 HydrophobicContact CG-CG2 4.4Å; L61-V65 WeakPolarHBondContact O-CB 3.27Å; L61-V65 VanDerWaalsContact O-CG2 3.25Å; L61-V65 WeakPolarHBondContact O-CG2 3.32Å; L61-V65 PolarHBondContact O-N 2.84Å
62A87.7Confident83.8Confident3 Ų329.4 Ų29.43%0.02517%0.166CC..Hα-helixtrans-63-41.7176.800000112.6V45 L58 D59 N60 A66 I83V45-A62 HydrophobicContact CG2-CB 3.84Å; L58-A62 WeakPolarHBondContact O-CB 3.48Å; L58-A62 PolarHBondContact O-N 2.88Å; D59-A62 PolarHBondContact O-N 3.47Å; N60-A62 VanDerWaalsContact C-N 3.31Å; N60-A62 PolarHBondContact O-N 3.45Å; A62-A66 WeakPolarHBondContact O-CB 3.32Å; A62-A66 PolarHBondContact O-N 3.09Å; A62-I83 HydrophobicContact CB-CD1 4.44Å; A62-I83 HydrophobicContact CB-CG2 4.18Å
63A87.9Confident83.9Confident0 Ų028.5 Ų28.50%015%0.154CC..Hα-helixtrans-64.6-41.5175.600000111.9D59 N60 L61 A66 A67 A80 I83 A84 Y147D59-A63 WeakPolarHBondContact O-CB 3.44Å; D59-A63 PolarHBondContact O-N 2.98Å; N60-A63 PolarHBondContact O-N 3.42Å; L61-A63 PolarHBondContact O-N 2.64Å; A63-A66 PolarHBondContact O-N 3.28Å; A63-A67 WeakPolarHBondContact O-CB 3.45Å; A63-A67 PolarHBondContact O-N 2.78Å; A63-A80 VanDerWaalsContact O-CB 3.31Å; A63-A80 WeakPolarHBondContact O-CB 3.4Å; A63-I83 HydrophobicContact CB-CB 4.08Å; A63-I83 HydrophobicContact CB-CG2 3.89Å; A63-A84 HydrophobicContact CB-CB 4.19Å; A63-Y147 HydrophobicContact CB-CE2 3.95Å
64E85.7Confident83.7Confident56 Ų5629 Ų2926%0.26216%0.157SC..Hα-helixtrans-65.6-47.6177.6-73176.3173.800112.3N60 L61 A66 A67 T68 S637N60-E64 WeakPolarHBondContact O-CG 2.93Å; N60-E64 PolarHBondContact O-N 2.95Å; L61-E64 PolarHBondContact O-N 3.21Å; E64-A66 VanDerWaalsContact C-N 3.31Å; E64-A66 PolarHBondContact O-N 3.1Å; E64-A67 WeakPolarHBondContact O-CB 3.44Å; E64-A67 PolarHBondContact O-N 3.42Å; E64-A67 VanDerWaalsContact O-N 3.08Å; E64-T68 WeakPolarHBondContact O-CG2 3.48Å; E64-T68 PolarHBondContact O-N 2.86Å; E64-S637 WeakPolarHBondContact OE1-CB 3.42Å; E64-S637 PolarHBondContact OE1-OG 3.25Å
65V86.4Confident83.7Confident17 Ų1727.9 Ų27.910%0.10315%0.149CC..Hα-helixtrans-59-45176170.90000110.2I41 K44 V45 L61 A67 T68 M69I41-V65 HydrophobicContact CB-CG1 4.47Å; I41-V65 HydrophobicContact CG1-CG1 4.41Å; I41-V65 HydrophobicContact CG2-CG1 4.17Å; K44-V65 HydrophobicContact CB-CG1 3.84Å; K44-V65 HydrophobicContact CB-CG2 4.42Å; K44-V65 HydrophobicContact CD-CG1 3.98Å; V45-V65 HydrophobicContact CG2-CB 4.42Å; V45-V65 HydrophobicContact CG2-CG2 4.3Å; L61-V65 HydrophobicContact CD1-CG2 4.18Å; L61-V65 HydrophobicContact CG-CG2 4.4Å; L61-V65 WeakPolarHBondContact O-CB 3.27Å; L61-V65 VanDerWaalsContact O-CG2 3.25Å; L61-V65 WeakPolarHBondContact O-CG2 3.32Å; L61-V65 PolarHBondContact O-N 2.84Å; V65-A67 VanDerWaalsContact C-N 3.33Å; V65-A67 PolarHBondContact O-N 3.24Å; V65-T68 PolarHBondContact O-N 3.12Å; V65-T68 PolarHBondContact O-OG1 2.69Å; V65-M69 HydrophobicContact CG1-CE 3.69Å; V65-M69 WeakPolarHBondContact O-CG 3.44Å; V65-M69 PolarHBondContact O-N 2.74Å
66A87.2Confident83.8Confident0 Ų027 Ų270%014%0.143CC..Hα-helixtrans-60-42.6174.400000111.6I41 A62 A63 E64 T68 M69 A70 F76 A80 I83I41-A66 HydrophobicContact CD1-CB 4.18Å; A62-A66 WeakPolarHBondContact O-CB 3.32Å; A62-A66 PolarHBondContact O-N 3.09Å; A63-A66 PolarHBondContact O-N 3.28Å; E64-A66 VanDerWaalsContact C-N 3.31Å; E64-A66 PolarHBondContact O-N 3.1Å; A66-T68 VanDerWaalsContact C-N 3.33Å; A66-T68 PolarHBondContact O-N 2.83Å; A66-M69 WeakPolarHBondContact O-CA 3.26Å; A66-M69 WeakPolarHBondContact O-CB 3.31Å; A66-M69 PolarHBondContact O-N 2.94Å; A66-A70 PolarHBondContact O-N 3.15Å; A66-F76 WeakPolarHBondContact O-CB 3.44Å; A66-A80 HydrophobicContact CB-CB 3.77Å; A66-I83 HydrophobicContact CB-CD1 4.27Å
67A85.9Confident83.7Confident4 Ų425.8 Ų25.83%0.03314%0.137CC..Hα-helixtrans-62.3-36.9178.400000112.8A63 E64 V65 M69 A70 A80 Y147 F640A63-A67 WeakPolarHBondContact O-CB 3.45Å; A63-A67 PolarHBondContact O-N 2.78Å; E64-A67 WeakPolarHBondContact O-CB 3.44Å; E64-A67 PolarHBondContact O-N 3.42Å; E64-A67 VanDerWaalsContact O-N 3.08Å; V65-A67 VanDerWaalsContact C-N 3.33Å; V65-A67 PolarHBondContact O-N 3.24Å; A67-M69 PolarHBondContact O-N 2.81Å; A67-A70 WeakPolarHBondContact O-CB 3.34Å; A67-A70 PolarHBondContact O-N 3Å; A67-A70 VanDerWaalsContact O-N 3.13Å; A67-A80 HydrophobicContact CB-CB 3.94Å; A67-Y147 HydrophobicContact CB-CD1 3.67Å; A67-Y147 HydrophobicContact CB-CE1 3.67Å; A67-Y147 HydrophobicContact CB-CG 4.18Å; A67-F640 HydrophobicContact CB-CD1 4.03Å; A67-F640 HydrophobicContact CB-CE1 3.73Å
68T82.7Confident83.7Confident70 Ų7024.5 Ų24.543%0.42914%0.135SC..Hα-helixtrans-62.9-27.4174.367.10000112.9E64 V65 A66 A70 S71 F640E64-T68 WeakPolarHBondContact O-CG2 3.48Å; E64-T68 PolarHBondContact O-N 2.86Å; V65-T68 PolarHBondContact O-N 3.12Å; V65-T68 PolarHBondContact O-OG1 2.69Å; A66-T68 VanDerWaalsContact C-N 3.33Å; A66-T68 PolarHBondContact O-N 2.83Å; T68-A70 VanDerWaalsContact C-N 3.31Å; T68-S71 PolarHBondContact O-OG 3.33Å; T68-F640 HydrophobicContact CG2-CD1 4Å; T68-F640 HydrophobicContact CG2-CE1 3.49Å; T68-F640 VanDerWaalsContact CG2-CE1 3.49Å; T68-F640 HydrophobicContact CG2-CZ 4.39Å
69M83.3Confident83.9Confident5 Ų524 Ų243%0.02513%0.132CC..G310 helixtrans-84.3-4.5179.5-61.6-177.4-172.600113.1V37 L40 I41 K44 V65 A66 A67 S71 K72 H73 F76V37-M69 HydrophobicContact CG1-CE 4.37Å; V37-M69 HydrophobicContact CG1-SD 3.26Å; V37-M69 WeakPolarHBondContact CG1-SD 3.27Å; L40-M69 HydrophobicContact CD2-CE 3.54Å; L40-M69 HydrophobicContact CD2-SD 4.19Å; L40-M69 HydrophobicContact CG-CE 4.1Å; I41-M69 HydrophobicContact CD1-SD 4.26Å; I41-M69 HydrophobicContact CG1-CE 3.94Å; I41-M69 HydrophobicContact CG1-SD 3.59Å; I41-M69 VanDerWaalsContact CG1-SD 3.59Å; K44-M69 HydrophobicContact CD-CE 3.67Å; V65-M69 HydrophobicContact CG1-CE 3.69Å; V65-M69 WeakPolarHBondContact O-CG 3.44Å; V65-M69 PolarHBondContact O-N 2.74Å; A66-M69 WeakPolarHBondContact O-CA 3.26Å; A66-M69 WeakPolarHBondContact O-CB 3.31Å; A66-M69 PolarHBondContact O-N 2.94Å; A67-M69 PolarHBondContact O-N 2.81Å; M69-S71 PolarHBondContact O-N 2.68Å; M69-S71 VanDerWaalsContact O-N 3.12Å; M69-K72 WeakPolarHBondContact O-CB 3.29Å; M69-K72 PolarHBondContact O-N 3.08Å; M69-H73 PolarHBondContact O-N 2.93Å; M69-F76 HydrophobicContact CB-CB 4Å; M69-F76 HydrophobicContact CB-CD1 4.06Å; M69-F76 HydrophobicContact CB-CD2 3.91Å; M69-F76 HydrophobicContact CB-CE2 4.49Å; M69-F76 HydrophobicContact CB-CG 3.7Å; M69-F76 VanDerWaalsContact O-CD2 3.23Å; M69-F76 WeakPolarHBondContact O-CD2 3.41Å
70A81.5Confident84Confident10 Ų1023.5 Ų23.58%0.08313%0.13CC..G310 helixtrans-55.8-28.717300000112.7A66 A67 T68 K72 H73 A77 M648A66-A70 PolarHBondContact O-N 3.15Å; A67-A70 WeakPolarHBondContact O-CB 3.34Å; A67-A70 PolarHBondContact O-N 3Å; A67-A70 VanDerWaalsContact O-N 3.13Å; T68-A70 VanDerWaalsContact C-N 3.31Å; A70-K72 PolarHBondContact O-N 3.11Å; A70-H73 CarbonylContact O-C 3.55Å; A70-A77 HydrophobicContact CB-CB 3.88Å; A70-M648 WeakPolarHBondContact O-CE 3.32Å
71S77.8Confident84.2Confident15 Ų1521.1 Ų21.111%0.10512%0.117CC..G310 helixtrans-69.4-14174.569.40000114.2T68 M69 M648 W657 K662T68-S71 PolarHBondContact O-OG 3.33Å; M69-S71 PolarHBondContact O-N 2.68Å; M69-S71 VanDerWaalsContact O-N 3.12Å; S71-M648 VanDerWaalsContact O-CE 3.29Å; S71-M648 WeakPolarHBondContact O-CE 3.47Å; S71-W657 WeakPolarHBondContact O-CZ2 3.02Å; S71-K662 PolarHBondContact OG-NZ 3.47Å; S71-K662 VanDerWaalsContact OG-NZ 3.15Å
72K78.8Confident84.5Confident98 Ų9820.1 Ų20.143%0.42611%0.11SC..THydrogen-bonded Turntrans-90.9-44.4175-65.3-168.7170.9-166.90111.9M69 A70 W657M69-K72 WeakPolarHBondContact O-CB 3.29Å; M69-K72 PolarHBondContact O-N 3.08Å; A70-K72 PolarHBondContact O-N 3.11Å; K72-W657 PolarHBondContact O-NE1 3.35Å
73H79.5Confident84.6Confident10 Ų1020.2 Ų20.25%0.04611%0.11CC..  trans-151.6140.2178.3-167.7-88.3000109.8H33 M69 A70 D75 F76H33-H73 HydrophobicContact CB-CB 4.37Å; H33-H73 AromaticContact CD2-CD2 3.39Å; H33-H73 PolarHBondContact CD2-CD2 3.2Å; H33-H73 AromaticContact CD2-NE2 3.4Å; H33-H73 PolarHBondContact CD2-NE2 3.31Å; H33-H73 AromaticContact CG-CD2 3.59Å; M69-H73 PolarHBondContact O-N 2.93Å; A70-H73 CarbonylContact O-C 3.55Å; H73-D75 IonicContact CE1-OD1 2.85Å; H73-D75 IonicContact CE1-OD2 2.81Å; H73-D75 PolarHBondContact CE1-OD2 3.46Å; H73-D75 VanDerWaalsContact CE1-OD2 3.25Å; H73-D75 WeakPolarHBondContact ND1-CB 3.47Å; H73-D75 PolarHBondContact ND1-N 3.32Å; H73-D75 IonicContact ND1-OD1 2.92Å; H73-D75 IonicContact ND1-OD2 3.36Å; H73-D75 PolarHBondContact O-N 3.03Å; H73-F76 HydrophobicContact CB-CD2 3.77Å; H73-F76 HydrophobicContact CB-CE2 3.76Å; H73-F76 WeakPolarHBondContact O-CD2 3.11Å; H73-F76 PolarHBondContact O-N 2.88Å
74P77.3Confident84.9Confident14 Ų1420.4 Ų20.49%0.09111%0.111CC..THydrogen-bonded Turntrans-61.7-30.9-174.723.3-33.3000113.1F76 A77 M648 K649P74-F76 PolarHBondContact O-N 3.16Å; P74-F76 VanDerWaalsContact O-N 3.14Å; P74-A77 WeakPolarHBondContact O-CB 3.43Å; P74-A77 PolarHBondContact O-N 2.98Å; P74-M648 HydrophobicContact CB-SD 4Å; P74-M648 VanDerWaalsContact CD-SD 3.54Å; P74-M648 HydrophobicContact CG-CG 4.4Å; P74-M648 HydrophobicContact CG-SD 4.21Å; P74-K649 HydrophobicContact CG-CG 4.31Å
75D82.1Confident85.2Confident28 Ų2817.7 Ų17.715%0.1510%0.099CC..Hα-helixtrans-61.6-22.9-179.8-69.3-2.4000114.1L29 N30 V34 H73 A77 V78 L79L29-D75 HydrophobicContact CB-CB 4.12Å; L29-D75 HydrophobicContact CD1-CB 4.31Å; L29-D75 HydrophobicContact CD2-CB 3.99Å; L29-D75 HydrophobicContact CG-CB 4.35Å; N30-D75 PolarHBondContact N-OD2 3.29Å; V34-D75 HydrophobicContact CG2-CB 4.15Å; H73-D75 IonicContact CE1-OD1 2.85Å; H73-D75 IonicContact CE1-OD2 2.81Å; H73-D75 PolarHBondContact CE1-OD2 3.46Å; H73-D75 VanDerWaalsContact CE1-OD2 3.25Å; H73-D75 WeakPolarHBondContact ND1-CB 3.47Å; H73-D75 PolarHBondContact ND1-N 3.32Å; H73-D75 IonicContact ND1-OD1 2.92Å; H73-D75 IonicContact ND1-OD2 3.36Å; H73-D75 PolarHBondContact O-N 3.03Å; D75-A77 VanDerWaalsContact C-N 3.25Å; D75-A77 PolarHBondContact O-N 3.38Å; D75-V78 WeakPolarHBondContact O-CB 3.45Å; D75-V78 PolarHBondContact O-N 3.33Å; D75-V78 VanDerWaalsContact O-N 3.16Å; D75-L79 PolarHBondContact O-N 2.96Å
76F84.1Confident85.6Confident2 Ų218 Ų181%0.00910%0.101CC..Hα-helixtrans-66.5-30174-71-65.8000112.4V34 V37 I41 A66 M69 H73 P74 V78 L79 A80V34-F76 HydrophobicContact CG1-CE1 4.39Å; V34-F76 HydrophobicContact CG2-CE1 4.34Å; V34-F76 HydrophobicContact CG2-CZ 4.27Å; V37-F76 HydrophobicContact CB-CE1 3.7Å; V37-F76 HydrophobicContact CB-CE2 4.46Å; V37-F76 HydrophobicContact CB-CZ 3.38Å; V37-F76 HydrophobicContact CG1-CD1 4.37Å; V37-F76 HydrophobicContact CG1-CE1 3.36Å; V37-F76 HydrophobicContact CG1-CE2 4.25Å; V37-F76 HydrophobicContact CG1-CZ 3.32Å; V37-F76 HydrophobicContact CG2-CE1 4.47Å; V37-F76 HydrophobicContact CG2-CE2 4.38Å; V37-F76 HydrophobicContact CG2-CZ 3.66Å; I41-F76 HydrophobicContact CD1-CD1 4.06Å; I41-F76 HydrophobicContact CD1-CE1 4.04Å; A66-F76 WeakPolarHBondContact O-CB 3.44Å; M69-F76 HydrophobicContact CB-CB 4Å; M69-F76 HydrophobicContact CB-CD1 4.06Å; M69-F76 HydrophobicContact CB-CD2 3.91Å; M69-F76 HydrophobicContact CB-CE2 4.49Å; M69-F76 HydrophobicContact CB-CG 3.7Å; M69-F76 VanDerWaalsContact O-CD2 3.23Å; M69-F76 WeakPolarHBondContact O-CD2 3.41Å; H73-F76 HydrophobicContact CB-CD2 3.77Å; H73-F76 HydrophobicContact CB-CE2 3.76Å; H73-F76 WeakPolarHBondContact O-CD2 3.11Å; H73-F76 PolarHBondContact O-N 2.88Å; P74-F76 PolarHBondContact O-N 3.16Å; P74-F76 VanDerWaalsContact O-N 3.14Å; F76-V78 VanDerWaalsContact C-N 3.33Å; F76-L79 HydrophobicContact CD1-CD2 4.42Å; F76-L79 PolarHBondContact O-N 3.35Å; F76-A80 VanDerWaalsContact O-CB 3.26Å; F76-A80 WeakPolarHBondContact O-CB 3.47Å; F76-A80 PolarHBondContact O-N 2.74Å
77A82.5Confident85.8Confident13 Ų1318.3 Ų18.311%0.10710%0.103CC..Hα-helixtrans-67.2-37.417300000111.4A70 P74 D75 A81A70-A77 HydrophobicContact CB-CB 3.88Å; P74-A77 WeakPolarHBondContact O-CB 3.43Å; P74-A77 PolarHBondContact O-N 2.98Å; D75-A77 VanDerWaalsContact C-N 3.25Å; D75-A77 PolarHBondContact O-N 3.38Å; A77-A81 PolarHBondContact O-N 2.87Å; A77-A81 VanDerWaalsContact O-N 3.13Å
78V84.4Confident86.1Confident52 Ų5218.6 Ų18.632%0.31510%0.104SC..Hα-helixtrans-67.3-46.7174.8-177.80000109.9L29 D75 F76 A80 A81 R82L29-V78 HydrophobicContact CD2-CB 4.06Å; L29-V78 HydrophobicContact CD2-CG1 3.88Å; D75-V78 WeakPolarHBondContact O-CB 3.45Å; D75-V78 PolarHBondContact O-N 3.33Å; D75-V78 VanDerWaalsContact O-N 3.16Å; F76-V78 VanDerWaalsContact C-N 3.33Å; V78-A80 PolarHBondContact O-N 3.5Å; V78-A81 WeakPolarHBondContact O-CB 3.17Å; V78-A81 PolarHBondContact O-N 3.23Å; V78-R82 HydrophobicContact CG1-CG 4.49Å; V78-R82 WeakPolarHBondContact O-CG 3.48Å; V78-R82 PolarHBondContact O-N 3.09Å
79L88.8Confident86.7Confident0 Ų017 Ų170%09%0.091CC..Hα-helixtrans-59.5-45.3177-177.358.7000111.9I22 L25 L29 V34 I41 D75 F76 A81 R82 I83I22-L79 HydrophobicContact CG2-CD1 4.27Å; I22-L79 HydrophobicContact CG2-CD2 4.03Å; L25-L79 HydrophobicContact CB-CD1 3.9Å; L29-L79 HydrophobicContact CD1-CB 3.92Å; L29-L79 HydrophobicContact CD1-CD1 4.4Å; V34-L79 HydrophobicContact CG1-CD2 4.39Å; I41-L79 HydrophobicContact CD1-CD2 3.89Å; D75-L79 PolarHBondContact O-N 2.96Å; F76-L79 HydrophobicContact CD1-CD2 4.42Å; F76-L79 PolarHBondContact O-N 3.35Å; L79-A81 VanDerWaalsContact C-N 3.31Å; L79-A81 PolarHBondContact O-N 2.87Å; L79-R82 PolarHBondContact O-N 2.92Å; L79-R82 VanDerWaalsContact O-N 3.17Å; L79-I83 HydrophobicContact CD1-CD1 4.3Å; L79-I83 HydrophobicContact CD1-CG1 4.38Å; L79-I83 HydrophobicContact CG-CD1 4.02Å; L79-I83 VanDerWaalsContact O-CG1 3.31Å; L79-I83 WeakPolarHBondContact O-CG1 3.09Å; L79-I83 PolarHBondContact O-N 2.8Å
80A89.3Confident87.1Confident0 Ų022.7 Ų22.70%012%0.116CC..Hα-helixtrans-56.8-45.2175.900000112A63 A66 A67 F76 V78 I83 A84 Y147A63-A80 VanDerWaalsContact O-CB 3.31Å; A63-A80 WeakPolarHBondContact O-CB 3.4Å; A66-A80 HydrophobicContact CB-CB 3.77Å; A67-A80 HydrophobicContact CB-CB 3.94Å; F76-A80 VanDerWaalsContact O-CB 3.26Å; F76-A80 WeakPolarHBondContact O-CB 3.47Å; F76-A80 PolarHBondContact O-N 2.74Å; V78-A80 PolarHBondContact O-N 3.5Å; A80-I83 PolarHBondContact O-N 3.4Å; A80-A84 PolarHBondContact O-N 3.21Å; A80-A84 VanDerWaalsContact O-N 3.09Å; A80-Y147 HydrophobicContact CB-CD2 3.85Å; A80-Y147 HydrophobicContact CB-CG 4.01Å
81A89.7Confident87.6Confident0 Ų024.5 Ų24.50%012%0.123CC..Hα-helixtrans-61.5-45.3176.100000111.6A77 V78 L79 I83 A84 V85 F145A77-A81 PolarHBondContact O-N 2.87Å; A77-A81 VanDerWaalsContact O-N 3.13Å; V78-A81 WeakPolarHBondContact O-CB 3.17Å; V78-A81 PolarHBondContact O-N 3.23Å; L79-A81 VanDerWaalsContact C-N 3.31Å; L79-A81 PolarHBondContact O-N 2.87Å; A81-I83 PolarHBondContact O-N 2.95Å; A81-A84 PolarHBondContact O-N 3.14Å; A81-V85 WeakPolarHBondContact O-CB 3.31Å; A81-V85 VanDerWaalsContact O-CG2 3.28Å; A81-V85 WeakPolarHBondContact O-CG2 3.16Å; A81-V85 PolarHBondContact O-N 3.1Å; A81-F145 WeakPolarHBondContact CB-O 3.28Å
82R91.4Very high88.4Confident26 Ų2624.4 Ų24.410%0.09812%0.121CC..Hα-helixtrans-64.1-38.2179.8-68.2178.3-178.1-177.61.2113L25 Y27 V78 L79 S86 F143L25-R82 HydrophobicContact CB-CB 4.23Å; L25-R82 HydrophobicContact CD2-CB 4.47Å; L25-R82 WeakPolarHBondContact O-CD 3.39Å; L25-R82 PolarHBondContact O-NH1 3.38Å; Y27-R82 VanDerWaalsContact CE2-CZ 3.42Å; Y27-R82 VanDerWaalsContact CZ-CZ 3.42Å; Y27-R82 PolarHBondContact O-NH1 3.44Å; Y27-R82 PolarHBondContact O-NH2 3.44Å; V78-R82 HydrophobicContact CG1-CG 4.49Å; V78-R82 WeakPolarHBondContact O-CG 3.48Å; V78-R82 PolarHBondContact O-N 3.09Å; L79-R82 PolarHBondContact O-N 2.92Å; L79-R82 VanDerWaalsContact O-N 3.17Å; R82-S86 WeakPolarHBondContact O-CB 3.49Å; R82-S86 PolarHBondContact O-N 3.44Å; R82-F143 HydrophobicContact CB-CD1 4.03Å; R82-F143 HydrophobicContact CG-CB 4.3Å; R82-F143 HydrophobicContact CG-CD1 3.9Å
83I91.4Very high89.2Confident5 Ų524.1 Ų24.13%0.02612%0.12CC..Hα-helixtrans-62.5-48.2174.2-65.1164.7000109.8I22 L25 D59 A62 A63 A66 L79 A80 A81 V85 S86 N87I22-I83 HydrophobicContact CG1-CD1 4.49Å; L25-I83 HydrophobicContact CD1-CB 4.32Å; L25-I83 HydrophobicContact CD1-CG1 3.71Å; D59-I83 HydrophobicContact CB-CG2 4.47Å; D59-I83 VanDerWaalsContact O-CG2 3.31Å; D59-I83 WeakPolarHBondContact O-CG2 3.41Å; A62-I83 HydrophobicContact CB-CD1 4.44Å; A62-I83 HydrophobicContact CB-CG2 4.18Å; A63-I83 HydrophobicContact CB-CB 4.08Å; A63-I83 HydrophobicContact CB-CG2 3.89Å; A66-I83 HydrophobicContact CB-CD1 4.27Å; L79-I83 HydrophobicContact CD1-CD1 4.3Å; L79-I83 HydrophobicContact CD1-CG1 4.38Å; L79-I83 HydrophobicContact CG-CD1 4.02Å; L79-I83 VanDerWaalsContact O-CG1 3.31Å; L79-I83 WeakPolarHBondContact O-CG1 3.09Å; L79-I83 PolarHBondContact O-N 2.8Å; A80-I83 PolarHBondContact O-N 3.4Å; A81-I83 PolarHBondContact O-N 2.95Å; I83-V85 PolarHBondContact O-N 2.89Å; I83-S86 PolarHBondContact O-N 3.44Å; I83-N87 PolarHBondContact O-N 2.87Å
84A92.4Very high90Very high3 Ų330.4 Ų30.43%0.02515%0.148CC..Hα-helixtrans-62.8-43.718000000112.6A63 A80 A81 N87 L88 Y147 F150A63-A84 HydrophobicContact CB-CB 4.19Å; A80-A84 PolarHBondContact O-N 3.21Å; A80-A84 VanDerWaalsContact O-N 3.09Å; A81-A84 PolarHBondContact O-N 3.14Å; A84-N87 WeakPolarHBondContact O-CB 3.49Å; A84-N87 PolarHBondContact O-N 3.4Å; A84-L88 PolarHBondContact O-N 3.13Å; A84-Y147 HydrophobicContact CB-CD2 4.36Å; A84-Y147 HydrophobicContact CB-CE2 4.29Å; A84-F150 HydrophobicContact CB-CD1 3.75Å; A84-F150 HydrophobicContact CB-CE1 3.68Å
85V93.7Very high90.9Very high0 Ų031.1 Ų31.10%016%0.155CC..Hα-helixtrans-66.4-42.3176.61710000111.4A81 I83 N87 L88 H89 D142 F143 F150A81-V85 WeakPolarHBondContact O-CB 3.31Å; A81-V85 VanDerWaalsContact O-CG2 3.28Å; A81-V85 WeakPolarHBondContact O-CG2 3.16Å; A81-V85 PolarHBondContact O-N 3.1Å; I83-V85 PolarHBondContact O-N 2.89Å; V85-N87 VanDerWaalsContact C-N 3.27Å; V85-N87 PolarHBondContact O-N 2.94Å; V85-L88 WeakPolarHBondContact O-CB 3.16Å; V85-L88 PolarHBondContact O-N 3.26Å; V85-L88 VanDerWaalsContact O-N 3.16Å; V85-H89 PolarHBondContact O-CD2 3.25Å; V85-H89 PolarHBondContact O-N 3.41Å; V85-D142 HydrophobicContact CG1-CB 3.53Å; V85-D142 WeakPolarHBondContact CG2-O 3.37Å; V85-F143 HydrophobicContact CB-CD1 3.98Å; V85-F143 HydrophobicContact CB-CE1 3.95Å; V85-F143 HydrophobicContact CG1-CD1 3.71Å; V85-F143 HydrophobicContact CG1-CE1 3.57Å; V85-F143 HydrophobicContact CG1-CE2 4.45Å; V85-F143 HydrophobicContact CG1-CG 4.23Å; V85-F143 HydrophobicContact CG1-CZ 3.96Å; V85-F150 HydrophobicContact CG2-CD2 3.69Å; V85-F150 HydrophobicContact CG2-CE2 3.85Å; V85-F150 HydrophobicContact CG2-CG 4.1Å; V85-F150 HydrophobicContact CG2-CZ 4.4Å
86S93.1Very high91.7Very high22 Ų2229.8 Ų29.815%0.15415%0.148CC..Hα-helixtrans-60.4-39.1175.5177.70000111.6R82 I83 H89 K90R82-S86 WeakPolarHBondContact O-CB 3.49Å; R82-S86 PolarHBondContact O-N 3.44Å; I83-S86 PolarHBondContact O-N 3.44Å; S86-H89 PolarHBondContact O-N 3.01Å; S86-K90 PolarHBondContact O-N 3.33Å
87N91.7Very high92.3Very high8 Ų830.2 Ų30.24%0.04315%0.151CC..Hα-helixtrans-63.3-47.8173.5-167.229.5000111D59 N60 I83 A84 V85 H89 K90 E91D59-N87 HydrophobicContact CB-CB 3.93Å; D59-N87 PolarHBondContact OD2-OD1 3.36Å; N60-N87 PolarHBondContact OD1-ND2 2.87Å; N60-N87 VanDerWaalsContact OD1-ND2 3.16Å; I83-N87 PolarHBondContact O-N 2.87Å; A84-N87 WeakPolarHBondContact O-CB 3.49Å; A84-N87 PolarHBondContact O-N 3.4Å; V85-N87 VanDerWaalsContact C-N 3.27Å; V85-N87 PolarHBondContact O-N 2.94Å; N87-H89 VanDerWaalsContact C-N 3.29Å; N87-H89 PolarHBondContact O-N 3.14Å; N87-K90 WeakPolarHBondContact O-CB 3.31Å; N87-K90 PolarHBondContact O-N 3.36Å; N87-E91 PolarHBondContact O-N 2.69Å
88L93.7Very high93Very high10 Ų1033.3 Ų33.35%0.05217%0.165CC..Hα-helixtrans-57.3-41.7176.4-179.268.1000112.3A84 V85 K90 E91 T92 F150 L158 V165A84-L88 PolarHBondContact O-N 3.13Å; V85-L88 WeakPolarHBondContact O-CB 3.16Å; V85-L88 PolarHBondContact O-N 3.26Å; V85-L88 VanDerWaalsContact O-N 3.16Å; L88-K90 PolarHBondContact O-N 3.08Å; L88-E91 PolarHBondContact O-N 2.78Å; L88-E91 VanDerWaalsContact O-N 3.11Å; L88-T92 HydrophobicContact CD1-CG2 3.62Å; L88-T92 HydrophobicContact CG-CG2 4.1Å; L88-T92 WeakPolarHBondContact O-CB 3.18Å; L88-T92 WeakPolarHBondContact O-CG2 3.45Å; L88-T92 PolarHBondContact O-N 3.39Å; L88-T92 VanDerWaalsContact O-N 3.08Å; L88-T92 PolarHBondContact O-OG1 2.85Å; L88-F150 HydrophobicContact CB-CE2 4.47Å; L88-F150 HydrophobicContact CB-CZ 3.91Å; L88-F150 HydrophobicContact CD2-CE2 3.54Å; L88-F150 HydrophobicContact CD2-CZ 3.65Å; L88-F150 HydrophobicContact CG-CZ 4.31Å; L88-L158 HydrophobicContact CD2-CD1 4.15Å; L88-V165 HydrophobicContact CD1-CB 4.06Å; L88-V165 HydrophobicContact CD1-CG1 3.72Å
89H94.7Very high93.6Very high36 Ų3630.9 Ų30.917%0.16715%0.151CC..Hα-helixtrans-63.8-26.8178.1-76.6-166.2000113.4V85 S86 N87 D142 F143 R168V85-H89 PolarHBondContact O-CD2 3.25Å; V85-H89 PolarHBondContact O-N 3.41Å; S86-H89 PolarHBondContact O-N 3.01Å; N87-H89 VanDerWaalsContact C-N 3.29Å; N87-H89 PolarHBondContact O-N 3.14Å; H89-D142 IonicContact CD2-OD2 3.47Å; H89-D142 IonicContact CE1-OD2 2.8Å; H89-D142 IonicContact NE2-OD2 3.1Å; H89-D142 PolarHBondContact NE2-OD2 2.99Å; H89-F143 AromaticContact CE1-CE2 3.85Å; H89-F143 AromaticContact CE1-CZ 3.96Å; H89-F143 AromaticContact ND1-CZ 3.92Å; H89-R168 PolarHBondContact O-NH2 2.91Å
90K91.8Very high94Very high125 Ų12530.9 Ų30.954%0.54315%0.151SC..Hα-helixtrans-76.1-33.4173-70.1-177.8173.6-165.80112.4R21 S86 N87 L88R21-K90 VanDerWaalsContact NH2-NZ 3.14Å; S86-K90 PolarHBondContact O-N 3.33Å; N87-K90 WeakPolarHBondContact O-CB 3.31Å; N87-K90 PolarHBondContact O-N 3.36Å; L88-K90 PolarHBondContact O-N 3.08Å
91E91.8Very high94.4Very high47 Ų4733.6 Ų33.622%0.2217%0.165CC..Hα-helixtrans-89.6-5.1-174.3-65.8-57.2127.900114.1V56 N87 L88 K164V56-E91 HydrophobicContact CG2-CG 4.09Å; V56-E91 WeakPolarHBondContact CG2-OE1 3.41Å; N87-E91 PolarHBondContact O-N 2.69Å; L88-E91 PolarHBondContact O-N 2.78Å; L88-E91 VanDerWaalsContact O-N 3.11Å; E91-K164 WeakPolarHBondContact O-CE 3.26Å; E91-K164 VanDerWaalsContact OE2-CE 3.23Å; E91-K164 WeakPolarHBondContact OE2-CE 3.41Å; E91-K164 IonicContact OE2-NZ 2.92Å; E91-K164 PolarHBondContact OE2-NZ 3.2Å
92T95Very high94.8Very high13 Ų1336.2 Ų36.28%0.0818%0.179CC..SBendtrans-125146.2-176.354.70000112.2L88 R168L88-T92 HydrophobicContact CD1-CG2 3.62Å; L88-T92 HydrophobicContact CG-CG2 4.1Å; L88-T92 WeakPolarHBondContact O-CB 3.18Å; L88-T92 WeakPolarHBondContact O-CG2 3.45Å; L88-T92 PolarHBondContact O-N 3.39Å; L88-T92 VanDerWaalsContact O-N 3.08Å; L88-T92 PolarHBondContact O-OG1 2.85Å; T92-R168 PolarHBondContact O-NH2 2.79Å; T92-R168 WeakPolarHBondContact OG1-CG 3.5Å; T92-R168 PolarHBondContact OG1-NE 3.32Å
93K95.9Very high95Very high93 Ų9335 Ų3540%0.40417%0.174SC..  trans-59.4149.8171.5-68.2-175.6178.2176.70110.4D98 V99 D102 R168 H171K93-D98 HydrophobicContact CD-CB 3.95Å; K93-V99 HydrophobicContact CB-CG2 3.77Å; K93-D102 VanDerWaalsContact CD-OD2 3.29Å; K93-D102 WeakPolarHBondContact CD-OD2 3.38Å; K93-D102 WeakPolarHBondContact CE-OD2 3.35Å; K93-D102 IonicContact NZ-OD1 3.67Å; K93-D102 PolarHBondContact NZ-OD1 3.44Å; K93-D102 IonicContact NZ-OD2 2.69Å; K93-D102 PolarHBondContact NZ-OD2 3.5Å; K93-R168 PolarHBondContact O-NE 3.44Å; K93-H171 PolarHBondContact O-CE1 3.06Å
94K95.7Very high95.3Very high142 Ų14237.1 Ų37.162%0.61718%0.183SC*.SBendtrans-82.2-52.6-178.7-173.3-179.6177.5-175.80111.4Y139 H171K94-Y139 HydrophobicContact CG-CD2 4.39Å; K94-Y139 HydrophobicContact CG-CE2 4.07Å; K94-Y139 PolarHBondContact O-OH 3.12Å; K94-H171 PolarHBondContact O-NE2 3Å
95A96.6Very high95.5Very high29 Ų2940.6 Ų40.624%0.2420%0.201CC..  trans-67.4136.6-17600000111.4D98 V99A95-D98 HydrophobicContact CB-CB 4.24Å; A95-V99 WeakPolarHBondContact O-CG2 3.45Å; A95-V99 PolarHBondContact O-N 3.49Å
96F97.3Very high95.6Very high0 Ų042.7 Ų42.70%021%0.209CC..Hα-helixtrans-70.4-44.1-178.9164.8-110.7000111.6D98 V99 I100 I126 L133 N134 I137 H171 M174 R175F96-D98 VanDerWaalsContact C-N 3.27Å; F96-D98 PolarHBondContact O-N 2.98Å; F96-V99 PolarHBondContact O-N 3.38Å; F96-I100 HydrophobicContact CD2-CD1 4.42Å; F96-I100 HydrophobicContact CD2-CG1 3.86Å; F96-I100 HydrophobicContact CE1-CG1 4.15Å; F96-I100 HydrophobicContact CE2-CD1 3.65Å; F96-I100 HydrophobicContact CE2-CG1 3.43Å; F96-I100 VanDerWaalsContact CE2-CG1 3.43Å; F96-I100 HydrophobicContact CG-CG1 4.4Å; F96-I100 HydrophobicContact CZ-CD1 3.94Å; F96-I100 HydrophobicContact CZ-CG1 3.6Å; F96-I100 WeakPolarHBondContact O-CG1 3.44Å; F96-I100 PolarHBondContact O-N 2.88Å; F96-I126 HydrophobicContact CD1-CG2 4.12Å; F96-I126 HydrophobicContact CE1-CD1 4.05Å; F96-I126 HydrophobicContact CE1-CG1 4.11Å; F96-I126 HydrophobicContact CE1-CG2 3.6Å; F96-I126 HydrophobicContact CZ-CD1 3.81Å; F96-I126 HydrophobicContact CZ-CG1 4.36Å; F96-I126 HydrophobicContact CZ-CG2 4.34Å; F96-L133 HydrophobicContact CD1-CB 4.27Å; F96-L133 HydrophobicContact CE1-CB 4.42Å; F96-L133 HydrophobicContact CE1-CD1 4.35Å; F96-N134 WeakPolarHBondContact CA-OD1 3.4Å; F96-N134 WeakPolarHBondContact CB-OD1 3.34Å; F96-N134 PolarHBondContact N-OD1 2.98Å; F96-I137 HydrophobicContact CB-CD1 3.34Å; F96-I137 HydrophobicContact CD1-CD1 4.19Å; F96-I137 HydrophobicContact CD2-CD1 4.21Å; F96-I137 HydrophobicContact CG-CD1 3.67Å; F96-H171 HydrophobicContact CD2-CB 3.93Å; F96-H171 AromaticContact CD2-CD2 3.89Å; F96-H171 HydrophobicContact CE2-CB 4.45Å; F96-H171 WeakPolarHBondContact CE2-O 3.14Å; F96-M174 HydrophobicContact CD1-CG 4.04Å; F96-M174 HydrophobicContact CD2-CB 4.31Å; F96-M174 HydrophobicContact CE1-CB 4.33Å; F96-M174 HydrophobicContact CE1-CG 3.64Å; F96-M174 HydrophobicContact CE2-CB 3.96Å; F96-M174 HydrophobicContact CE2-CG 4.18Å; F96-M174 HydrophobicContact CG-CG 4.48Å; F96-M174 HydrophobicContact CZ-CB 3.97Å; F96-M174 HydrophobicContact CZ-CG 3.71Å; F96-R175 HydrophobicContact CE2-CB 4.23Å; F96-R175 HydrophobicContact CZ-CB 4.45Å
97S97.1Very high95.7Very high10 Ų1046.2 Ų46.27%0.0723%0.225CC..Hα-helixtrans-52.8-45.817553.30000111.7V99 I100 D101 M127 N134S97-V99 VanDerWaalsContact C-N 3.34Å; S97-V99 PolarHBondContact O-N 3.16Å; S97-I100 PolarHBondContact O-N 3.1Å; S97-D101 PolarHBondContact O-N 3.16Å; S97-M127 WeakPolarHBondContact O-CE 3.47Å; S97-N134 PolarHBondContact N-OD1 3.14Å; S97-N134 PolarHBondContact OG-ND2 3.15Å
98D97.4Very high95.7Very high78 Ų7847.7 Ų47.742%0.41723%0.233SC..Hα-helixtrans-65.4-37.3-177.4-58.70.8000112.3K93 A95 F96 D101 D102K93-D98 HydrophobicContact CD-CB 3.95Å; A95-D98 HydrophobicContact CB-CB 4.24Å; F96-D98 VanDerWaalsContact C-N 3.27Å; F96-D98 PolarHBondContact O-N 2.98Å; D98-D101 PolarHBondContact O-N 2.9Å; D98-D102 VanDerWaalsContact O-CG 3.28Å; D98-D102 PolarHBondContact O-N 3.3Å
99V97.6Very high95.7Very high2 Ų250 Ų501%0.01225%0.249CC..Hα-helixtrans-67.9-42.4175.8174.40000110.5K93 A95 F96 S97 D101 D102 L103 A166 E167K93-V99 HydrophobicContact CB-CG2 3.77Å; A95-V99 WeakPolarHBondContact O-CG2 3.45Å; A95-V99 PolarHBondContact O-N 3.49Å; F96-V99 PolarHBondContact O-N 3.38Å; S97-V99 VanDerWaalsContact C-N 3.34Å; S97-V99 PolarHBondContact O-N 3.16Å; V99-D101 VanDerWaalsContact C-N 3.31Å; V99-D101 PolarHBondContact O-N 3.08Å; V99-D102 PolarHBondContact O-N 3.3Å; V99-L103 HydrophobicContact CG1-CD1 3.95Å; V99-L103 HydrophobicContact CG1-CG 4.44Å; V99-L103 WeakPolarHBondContact O-CB 3.33Å; V99-L103 VanDerWaalsContact O-CG 3.22Å; V99-L103 WeakPolarHBondContact O-CG 3.23Å; V99-L103 PolarHBondContact O-N 2.98Å; V99-A166 HydrophobicContact CG1-CB 4.46Å; V99-E167 HydrophobicContact CG1-CG 4.1Å
100I97.5Very high95.6Very high0 Ų055.8 Ų55.80%028%0.28CS..Hα-helixtrans-64.8-37.7176.6-67.4-65.8000111.1F96 S97 L103 Y104 I118 I126 M127 R175F96-I100 HydrophobicContact CD2-CD1 4.42Å; F96-I100 HydrophobicContact CD2-CG1 3.86Å; F96-I100 HydrophobicContact CE1-CG1 4.15Å; F96-I100 HydrophobicContact CE2-CD1 3.65Å; F96-I100 HydrophobicContact CE2-CG1 3.43Å; F96-I100 VanDerWaalsContact CE2-CG1 3.43Å; F96-I100 HydrophobicContact CG-CG1 4.4Å; F96-I100 HydrophobicContact CZ-CD1 3.94Å; F96-I100 HydrophobicContact CZ-CG1 3.6Å; F96-I100 WeakPolarHBondContact O-CG1 3.44Å; F96-I100 PolarHBondContact O-N 2.88Å; S97-I100 PolarHBondContact O-N 3.1Å; I100-L103 HydrophobicContact CD1-CD1 4.42Å; I100-L103 PolarHBondContact O-N 3.44Å; I100-Y104 WeakPolarHBondContact O-CB 3.16Å; I100-Y104 PolarHBondContact O-N 3.18Å; I100-I118 HydrophobicContact CD1-CD1 4.07Å; I100-I118 HydrophobicContact CD1-CG1 4.23Å; I100-I118 HydrophobicContact CG2-CG1 4.41Å; I100-I118 HydrophobicContact CG2-CG2 4.2Å; I100-I126 HydrophobicContact CB-CG2 4.32Å; I100-I126 HydrophobicContact CD1-CD1 4.22Å; I100-I126 HydrophobicContact CG1-CD1 4.09Å; I100-I126 HydrophobicContact CG1-CG2 4.39Å; I100-I126 HydrophobicContact CG2-CB 4.36Å; I100-I126 HydrophobicContact CG2-CD1 3.83Å; I100-I126 HydrophobicContact CG2-CG2 4.1Å; I100-M127 HydrophobicContact CG2-CE 4.47Å; I100-R175 HydrophobicContact CD1-CB 4.34Å
101D97.4Very high95.7Very high57 Ų5753.5 Ų53.531%0.30528%0.276SS..Hα-helixtrans-63.4-45.6174.8-158.953.1000111.7S97 D98 V99 L103 Y104 N105 H123 M127S97-D101 PolarHBondContact O-N 3.16Å; D98-D101 PolarHBondContact O-N 2.9Å; V99-D101 VanDerWaalsContact C-N 3.31Å; V99-D101 PolarHBondContact O-N 3.08Å; D101-L103 VanDerWaalsContact C-N 3.31Å; D101-L103 PolarHBondContact O-N 3.4Å; D101-Y104 PolarHBondContact O-N 3.29Å; D101-N105 VanDerWaalsContact O-CB 3.31Å; D101-N105 WeakPolarHBondContact O-CB 3.45Å; D101-N105 PolarHBondContact O-N 2.95Å; D101-N105 PolarHBondContact O-ND2 3.07Å; D101-N105 PolarHBondContact OD1-ND2 2.99Å; D101-N105 PolarHBondContact OD2-ND2 2.72Å; D101-H123 IonicContact OD1-CD2 2.69Å; D101-H123 IonicContact OD1-CE1 2.64Å; D101-H123 IonicContact OD1-NE2 3.79Å; D101-H123 PolarHBondContact OD1-NE2 3.44Å; D101-M127 HydrophobicContact CB-CE 3.44Å; D101-M127 VanDerWaalsContact CB-CE 3.44Å; D101-M127 WeakPolarHBondContact OD1-CE 3.5Å
102D97.1Very high95.8Very high54 Ų5458.5 Ų58.529%0.28930%0.297SS..Hα-helixtrans-60.3-41.3176-71.2-15.8000112K93 D98 V99 W106 I161K93-D102 VanDerWaalsContact CD-OD2 3.29Å; K93-D102 WeakPolarHBondContact CD-OD2 3.38Å; K93-D102 WeakPolarHBondContact CE-OD2 3.35Å; K93-D102 IonicContact NZ-OD1 3.67Å; K93-D102 PolarHBondContact NZ-OD1 3.44Å; K93-D102 IonicContact NZ-OD2 2.69Å; K93-D102 PolarHBondContact NZ-OD2 3.5Å; D98-D102 VanDerWaalsContact O-CG 3.28Å; D98-D102 PolarHBondContact O-N 3.3Å; V99-D102 PolarHBondContact O-N 3.3Å; D102-W106 PolarHBondContact O-N 3.21Å; D102-W106 VanDerWaalsContact O-N 3.14Å; D102-I161 HydrophobicContact CB-CD1 3.76Å
103L97Very high95.8Very high0 Ų063.3 Ų63.30%032%0.322CS..Hα-helixtrans-70.4-33.8179.6-71.1169.4000112.3V99 I100 D101 M117 I118 L159 I161 A166 E167V99-L103 HydrophobicContact CG1-CD1 3.95Å; V99-L103 HydrophobicContact CG1-CG 4.44Å; V99-L103 WeakPolarHBondContact O-CB 3.33Å; V99-L103 VanDerWaalsContact O-CG 3.22Å; V99-L103 WeakPolarHBondContact O-CG 3.23Å; V99-L103 PolarHBondContact O-N 2.98Å; I100-L103 HydrophobicContact CD1-CD1 4.42Å; I100-L103 PolarHBondContact O-N 3.44Å; D101-L103 VanDerWaalsContact C-N 3.31Å; D101-L103 PolarHBondContact O-N 3.4Å; L103-M117 HydrophobicContact CB-CB 4.41Å; L103-M117 HydrophobicContact CD2-SD 3.71Å; L103-M117 PolarHBondContact O-N 3.3Å; L103-I118 HydrophobicContact CB-CD1 4.41Å; L103-I118 HydrophobicContact CB-CG1 3.72Å; L103-I118 HydrophobicContact CD1-CD1 4.32Å; L103-I118 HydrophobicContact CD1-CG1 4.42Å; L103-L159 HydrophobicContact CD1-CB 4.28Å; L103-L159 HydrophobicContact CD1-CD1 3.96Å; L103-L159 HydrophobicContact CD2-CB 3.87Å; L103-L159 HydrophobicContact CD2-CD1 4.4Å; L103-I161 HydrophobicContact CD2-CD1 4.03Å; L103-I161 HydrophobicContact CD2-CG1 3.88Å; L103-I161 HydrophobicContact CG-CD1 4.44Å; L103-A166 HydrophobicContact CD2-CB 4.19Å; L103-E167 HydrophobicContact CD1-CG 3.85Å
104Y97.3Very high95.8Very high51 Ų5163.4 Ų63.420%0.232%0.323CS..Hα-helixtrans-73.3-48.1174.2177.5-104.6000111.3I100 D101 W106 H114 P116 P120 H123I100-Y104 WeakPolarHBondContact O-CB 3.16Å; I100-Y104 PolarHBondContact O-N 3.18Å; D101-Y104 PolarHBondContact O-N 3.29Å; Y104-W106 PolarHBondContact O-N 3.14Å; Y104-H114 PolarHBondContact O-NE2 3.02Å; Y104-P116 HydrophobicContact CD2-CB 3.91Å; Y104-P116 HydrophobicContact CE2-CB 4.16Å; Y104-P116 WeakPolarHBondContact O-CA 3.39Å; Y104-P116 WeakPolarHBondContact O-CB 3.41Å; Y104-P120 HydrophobicContact CE2-CB 3.9Å; Y104-P120 HydrophobicContact CE2-CG 3.94Å; Y104-H123 WeakPolarHBondContact CB-CD2 3.37Å; Y104-H123 AromaticContact CD1-CD2 3.64Å; Y104-H123 AromaticContact CD1-CE1 3.69Å; Y104-H123 AromaticContact CD1-CG 3.83Å; Y104-H123 AromaticContact CD1-ND1 3.89Å; Y104-H123 AromaticContact CD1-NE2 3.53Å; Y104-H123 HydrophobicContact CD2-CB 3.88Å; Y104-H123 AromaticContact CD2-CG 3.96Å; Y104-H123 HydrophobicContact CE2-CB 4.37Å; Y104-H123 HydrophobicContact CG-CB 4.02Å; Y104-H123 AromaticContact CG-CD2 3.43Å; Y104-H123 VanDerWaalsContact CG-CD2 3.43Å; Y104-H123 AromaticContact CG-CG 3.61Å; Y104-H123 AromaticContact CG-NE2 3.83Å
105N96.8Very high95.7Very high75 Ų7558.5 Ų58.540%0.40131%0.307SS..SBendtrans-80.810.1-177.3-67.4-41.5000113.7D101 I107D101-N105 VanDerWaalsContact O-CB 3.31Å; D101-N105 WeakPolarHBondContact O-CB 3.45Å; D101-N105 PolarHBondContact O-N 2.95Å; D101-N105 PolarHBondContact O-ND2 3.07Å; D101-N105 PolarHBondContact OD1-ND2 2.99Å; D101-N105 PolarHBondContact OD2-ND2 2.72Å; N105-I107 PolarHBondContact O-N 2.98Å
106W95.8Very high95.7Very high44 Ų4459 Ų5917%0.16731%0.308CS..PPolyproline II helixtrans-63.7124.6-178.6-174.574.2000111.7D102 Y104 N108 P109 S115 M117 N162D102-W106 PolarHBondContact O-N 3.21Å; D102-W106 VanDerWaalsContact O-N 3.14Å; Y104-W106 PolarHBondContact O-N 3.14Å; W106-N108 HydrophobicContact CH2-CB 3.74Å; W106-N108 HydrophobicContact CZ2-CB 4.46Å; W106-N108 HydrophobicContact CZ3-CB 3.79Å; W106-P109 VanDerWaalsContact CZ2-CD 3.46Å; W106-S115 PolarHBondContact O-N 3.49Å; W106-M117 HydrophobicContact CB-CE 4.45Å; W106-M117 HydrophobicContact CD2-CE 3.63Å; W106-M117 HydrophobicContact CE3-CE 3.74Å; W106-M117 HydrophobicContact CG-CE 3.95Å; W106-M117 HydrophobicContact CZ2-CE 4.5Å; W106-M117 HydrophobicContact CZ3-CE 4.22Å; W106-N162 PolarHBondContact NE1-OD1 3.27Å; W106-N162 VanDerWaalsContact NE1-OD1 3.12Å
107I94.8Very high95.5Very high97 Ų9760.9 Ų60.950%0.49732%0.317SS..BIsolated β-bridgetrans-103.5125.8173.6-61.1175.3000107.7N105 P109 K112N105-I107 PolarHBondContact O-N 2.98Å; I107-P109 WeakPolarHBondContact O-CD 3.35Å; I107-K112 WeakPolarHBondContact CG2-O 3.22Å
108N91.9Very high95.5Very high39 Ų3960.4 Ų60.421%0.20931%0.314CS..PPolyproline II helixtrans-61.6121.8177.9-179-43.3000109.4W106 L110 T111 K112 L113W106-N108 HydrophobicContact CH2-CB 3.74Å; W106-N108 HydrophobicContact CZ2-CB 4.46Å; W106-N108 HydrophobicContact CZ3-CB 3.79Å; N108-L110 PolarHBondContact O-N 2.96Å; N108-L110 VanDerWaalsContact O-N 3.15Å; N108-L110 WeakPolarHBondContact OD1-CB 3.37Å; N108-L110 PolarHBondContact OD1-N 2.81Å; N108-T111 VanDerWaalsContact CB-OG1 3.32Å; N108-T111 WeakPolarHBondContact CB-OG1 3.31Å; N108-T111 PolarHBondContact OD1-N 3.27Å; N108-K112 VanDerWaalsContact O-CA 3.27Å; N108-K112 WeakPolarHBondContact O-CA 3.48Å; N108-K112 PolarHBondContact O-N 3.4Å; N108-L113 PolarHBondContact N-O 3Å
109P92.4Very high95.5Very high59 Ų5958.7 Ų58.738%0.38331%0.305SS..THydrogen-bonded Turntrans-64.6-23.8-17324.7-34.2000113.1W106 I107 K112W106-P109 VanDerWaalsContact CZ2-CD 3.46Å; I107-P109 WeakPolarHBondContact O-CD 3.35Å; P109-K112 VanDerWaalsContact O-CE 3.29Å; P109-K112 WeakPolarHBondContact O-CE 3.49Å; P109-K112 PolarHBondContact O-NZ 3.39Å
110L93.1Very high95.4Very high156 Ų15661.6 Ų61.682%0.81732%0.323SS*.THydrogen-bonded Turntrans-88.2-50.2-179-60.5175000112N108N108-L110 PolarHBondContact O-N 2.96Å; N108-L110 VanDerWaalsContact O-N 3.15Å; N108-L110 WeakPolarHBondContact OD1-CB 3.37Å; N108-L110 PolarHBondContact OD1-N 2.81Å
111T94.7Very high95.3Very high77 Ų7764.3 Ų64.347%0.47235%0.346SS..THydrogen-bonded Turntrans-87.4-14.5-176.164.20000113.5N108 L113N108-T111 VanDerWaalsContact CB-OG1 3.32Å; N108-T111 WeakPolarHBondContact CB-OG1 3.31Å; N108-T111 PolarHBondContact OD1-N 3.27Å; T111-L113 PolarHBondContact O-N 2.98Å; T111-L113 VanDerWaalsContact O-N 3.1Å; T111-L113 PolarHBondContact OG1-N 3.38Å
112K93.8Very high95.3Very high153 Ų15362.2 Ų62.267%0.66534%0.335SS*.  trans58.214.4-172.4-51.1-55.2-172.4-168.60114.2I107 N108 P109I107-K112 WeakPolarHBondContact CG2-O 3.22Å; N108-K112 VanDerWaalsContact O-CA 3.27Å; N108-K112 WeakPolarHBondContact O-CA 3.48Å; N108-K112 PolarHBondContact O-N 3.4Å; P109-K112 VanDerWaalsContact O-CE 3.29Å; P109-K112 WeakPolarHBondContact O-CE 3.49Å; P109-K112 PolarHBondContact O-NZ 3.39Å
113L95.4Very high95.3Very high113 Ų11360.9 Ų60.959%0.59233%0.327SS*.  trans-87.3137.9176.1-62177000110.3N108 T111 S115N108-L113 PolarHBondContact N-O 3Å; T111-L113 PolarHBondContact O-N 2.98Å; T111-L113 VanDerWaalsContact O-N 3.1Å; T111-L113 PolarHBondContact OG1-N 3.38Å; L113-S115 PolarHBondContact O-N 3.39Å; L113-S115 PolarHBondContact O-OG 3.35Å; L113-S115 VanDerWaalsContact O-OG 3.07Å
114H95.5Very high95.3Very high95 Ų9566.3 Ų66.344%0.4435%0.35SS..BIsolated β-bridgetrans-59.9117.5166.5179.5-135.2000108.9Y104Y104-H114 PolarHBondContact O-NE2 3.02Å
115S93.7Very high95.3Very high40 Ų4064.3 Ų64.328%0.2834%0.343SS..  trans-129.268.6-171.7-61.80000109W106 L113 M117W106-S115 PolarHBondContact O-N 3.49Å; L113-S115 PolarHBondContact O-N 3.39Å; L113-S115 PolarHBondContact O-OG 3.35Å; L113-S115 VanDerWaalsContact O-OG 3.07Å; S115-M117 PolarHBondContact O-N 3.19Å
116P95.1Very high95.3Very high38 Ų3860.8 Ų60.825%0.24732%0.324CS..  trans-58.7134-17224.5-34.5000111.5Y104 C213Y104-P116 HydrophobicContact CD2-CB 3.91Å; Y104-P116 HydrophobicContact CE2-CB 4.16Å; Y104-P116 WeakPolarHBondContact O-CA 3.39Å; Y104-P116 WeakPolarHBondContact O-CB 3.41Å; P116-C213 PolarHBondContact O-SG 3.42Å; P116-C213 VanDerWaalsContact O-SG 3.34Å
117M95Very high95.4Very high40 Ų4061.7 Ų61.720%0.19733%0.331CS..SBendtrans-86.2-27.4173.4-57.8-172.7-171.400111.6L103 W106 S115 K160 T212L103-M117 HydrophobicContact CB-CB 4.41Å; L103-M117 HydrophobicContact CD2-SD 3.71Å; L103-M117 PolarHBondContact O-N 3.3Å; W106-M117 HydrophobicContact CB-CE 4.45Å; W106-M117 HydrophobicContact CD2-CE 3.63Å; W106-M117 HydrophobicContact CE3-CE 3.74Å; W106-M117 HydrophobicContact CG-CE 3.95Å; W106-M117 HydrophobicContact CZ2-CE 4.5Å; W106-M117 HydrophobicContact CZ3-CE 4.22Å; S115-M117 PolarHBondContact O-N 3.19Å; M117-K160 WeakPolarHBondContact CE-O 3.35Å; M117-T212 VanDerWaalsContact O-CA 3.26Å; M117-T212 WeakPolarHBondContact O-CA 3.48Å; M117-T212 VanDerWaalsContact O-CB 3.24Å; M117-T212 WeakPolarHBondContact O-CB 3.21Å
118I97Very high95.6Very high0 Ų062.1 Ų62.10%033%0.331CS..BIsolated β-bridgetrans-99.8141179.8-57.1-56.9000109.7I100 L103 I122 H123 L159 R175 G211 C213I100-I118 HydrophobicContact CD1-CD1 4.07Å; I100-I118 HydrophobicContact CD1-CG1 4.23Å; I100-I118 HydrophobicContact CG2-CG1 4.41Å; I100-I118 HydrophobicContact CG2-CG2 4.2Å; L103-I118 HydrophobicContact CB-CD1 4.41Å; L103-I118 HydrophobicContact CB-CG1 3.72Å; L103-I118 HydrophobicContact CD1-CD1 4.32Å; L103-I118 HydrophobicContact CD1-CG1 4.42Å; I118-I122 HydrophobicContact CG2-CB 4.38Å; I118-I122 HydrophobicContact CG2-CG2 4.28Å; I118-H123 HydrophobicContact CG2-CB 4.09Å; I118-L159 HydrophobicContact CD1-CD1 4.04Å; I118-R175 HydrophobicContact CD1-CG 4.44Å; I118-G211 WeakPolarHBondContact CA-O 3.5Å; I118-G211 WeakPolarHBondContact CG2-O 3.49Å; I118-C213 PolarHBondContact O-SG 3.1Å
119D95.8Very high95.8Very high43 Ų4362.6 Ų62.623%0.2333%0.334CS..  trans-63.3134.6175.4-178-89.1000111.2A121 I122 H123 G211D119-A121 VanDerWaalsContact C-N 3.27Å; D119-A121 PolarHBondContact O-N 3.32Å; D119-A121 WeakPolarHBondContact OD1-CA 3.17Å; D119-A121 WeakPolarHBondContact OD1-CB 3.45Å; D119-A121 PolarHBondContact OD1-N 3.07Å; D119-I122 HydrophobicContact CB-CB 4.17Å; D119-I122 HydrophobicContact CB-CG1 3.94Å; D119-I122 PolarHBondContact O-N 3.37Å; D119-I122 VanDerWaalsContact O-N 3.08Å; D119-I122 PolarHBondContact OD1-N 2.99Å; D119-H123 PolarHBondContact O-N 3.47Å; D119-G211 PolarHBondContact N-O 3.47Å
120P96Very high96Very high62 Ų6260.7 Ų60.740%0.40332%0.323SS..Hα-helixtrans-55.8-35.5-179.6-22.528.8000114.7Y104 K124Y104-P120 HydrophobicContact CE2-CB 3.9Å; Y104-P120 HydrophobicContact CE2-CG 3.94Å; P120-K124 WeakPolarHBondContact O-CB 3.28Å; P120-K124 PolarHBondContact O-N 3.27Å
121A95.8Very high96.2Very high58 Ų5860 Ų6048%0.47932%0.32SS..Hα-helixtrans-71.3-37.4178.700000111.3D119 I125D119-A121 VanDerWaalsContact C-N 3.27Å; D119-A121 PolarHBondContact O-N 3.32Å; D119-A121 WeakPolarHBondContact OD1-CA 3.17Å; D119-A121 WeakPolarHBondContact OD1-CB 3.45Å; D119-A121 PolarHBondContact OD1-N 3.07Å; A121-I125 VanDerWaalsContact O-CG1 3.29Å; A121-I125 WeakPolarHBondContact O-CG1 3.46Å; A121-I125 PolarHBondContact O-N 2.72Å; A121-I125 VanDerWaalsContact O-N 3.09Å
122I96.7Very high96.3Very high13 Ų1361.5 Ų61.57%0.06732%0.317CS..Hα-helixtrans-70.1-43.1175.9-60.4-61.8000111.2I118 D119 K124 I125 I126 V178 Q182I118-I122 HydrophobicContact CG2-CB 4.38Å; I118-I122 HydrophobicContact CG2-CG2 4.28Å; D119-I122 HydrophobicContact CB-CB 4.17Å; D119-I122 HydrophobicContact CB-CG1 3.94Å; D119-I122 PolarHBondContact O-N 3.37Å; D119-I122 VanDerWaalsContact O-N 3.08Å; D119-I122 PolarHBondContact OD1-N 2.99Å; I122-K124 VanDerWaalsContact C-N 3.31Å; I122-K124 PolarHBondContact O-N 2.98Å; I122-I125 HydrophobicContact CD1-CD1 4.44Å; I122-I125 PolarHBondContact O-N 3.3Å; I122-I126 HydrophobicContact CG2-CD1 3.75Å; I122-I126 HydrophobicContact CG2-CG1 4.42Å; I122-I126 WeakPolarHBondContact O-CG1 3.32Å; I122-I126 PolarHBondContact O-N 2.95Å; I122-V178 HydrophobicContact CG2-CG1 4.29Å; I122-Q182 HydrophobicContact CD1-CG 4.24Å
123H97.6Very high96.5Very high25 Ų2554.2 Ų54.212%0.11629%0.285CS..Hα-helixtrans-55.1-48.5173.2171.9-88.9000110.8D101 Y104 I118 D119 I125 I126 M127D101-H123 IonicContact OD1-CD2 2.69Å; D101-H123 IonicContact OD1-CE1 2.64Å; D101-H123 IonicContact OD1-NE2 3.79Å; D101-H123 PolarHBondContact OD1-NE2 3.44Å; Y104-H123 WeakPolarHBondContact CB-CD2 3.37Å; Y104-H123 AromaticContact CD1-CD2 3.64Å; Y104-H123 AromaticContact CD1-CE1 3.69Å; Y104-H123 AromaticContact CD1-CG 3.83Å; Y104-H123 AromaticContact CD1-ND1 3.89Å; Y104-H123 AromaticContact CD1-NE2 3.53Å; Y104-H123 HydrophobicContact CD2-CB 3.88Å; Y104-H123 AromaticContact CD2-CG 3.96Å; Y104-H123 HydrophobicContact CE2-CB 4.37Å; Y104-H123 HydrophobicContact CG-CB 4.02Å; Y104-H123 AromaticContact CG-CD2 3.43Å; Y104-H123 VanDerWaalsContact CG-CD2 3.43Å; Y104-H123 AromaticContact CG-CG 3.61Å; Y104-H123 AromaticContact CG-NE2 3.83Å; I118-H123 HydrophobicContact CG2-CB 4.09Å; D119-H123 PolarHBondContact O-N 3.47Å; H123-I125 PolarHBondContact O-N 2.75Å; H123-I126 PolarHBondContact O-N 3.32Å; H123-I126 VanDerWaalsContact O-N 3.17Å; H123-M127 WeakPolarHBondContact NE2-CE 3.4Å; H123-M127 WeakPolarHBondContact O-CG 3.46Å; H123-M127 PolarHBondContact O-N 3.01Å
124K97.5Very high96.6Very high115 Ų11550.6 Ų50.650%0.527%0.266SS..Hα-helixtrans-57-47.9176.4-179.4172.8176.9172.90112.7P120 I122 I126 M127 E128P120-K124 WeakPolarHBondContact O-CB 3.28Å; P120-K124 PolarHBondContact O-N 3.27Å; I122-K124 VanDerWaalsContact C-N 3.31Å; I122-K124 PolarHBondContact O-N 2.98Å; K124-I126 VanDerWaalsContact C-N 3.3Å; K124-I126 PolarHBondContact O-N 3.46Å; K124-M127 PolarHBondContact O-N 2.86Å; K124-E128 WeakPolarHBondContact CE-OE1 3.43Å; K124-E128 HydrophobicContact CG-CG 4.4Å; K124-E128 WeakPolarHBondContact CG-OE1 3.34Å; K124-E128 IonicContact NZ-OE1 2.78Å; K124-E128 WeakPolarHBondContact O-CB 3.32Å; K124-E128 VanDerWaalsContact O-CG 3.31Å; K124-E128 WeakPolarHBondContact O-CG 3.36Å; K124-E128 PolarHBondContact O-N 3.09Å
125I97.3Very high96.6Very high9 Ų950.6 Ų50.65%0.04628%0.277CS..Hα-helixtrans-59.8-42.2178-70164.8000111.1A121 I122 H123 N129 V178 Q182 R183 I185A121-I125 VanDerWaalsContact O-CG1 3.29Å; A121-I125 WeakPolarHBondContact O-CG1 3.46Å; A121-I125 PolarHBondContact O-N 2.72Å; A121-I125 VanDerWaalsContact O-N 3.09Å; I122-I125 HydrophobicContact CD1-CD1 4.44Å; I122-I125 PolarHBondContact O-N 3.3Å; H123-I125 PolarHBondContact O-N 2.75Å; I125-N129 PolarHBondContact O-N 3.35Å; I125-N129 PolarHBondContact O-ND2 2.97Å; I125-V178 HydrophobicContact CG2-CG1 3.98Å; I125-Q182 HydrophobicContact CD1-CB 4.08Å; I125-R183 HydrophobicContact CD1-CG 3.92Å; I125-R183 HydrophobicContact CG1-CG 4.11Å; I125-I185 HydrophobicContact CG2-CD1 4.01Å
126I97.4Very high96.8Very high0 Ų049.7 Ų49.70%027%0.272CS..Hα-helixtrans-65.6-43.9179.5-69.4167.8000110.7F96 I100 I122 H123 K124 N129 A130 L133 V178F96-I126 HydrophobicContact CD1-CG2 4.12Å; F96-I126 HydrophobicContact CE1-CD1 4.05Å; F96-I126 HydrophobicContact CE1-CG1 4.11Å; F96-I126 HydrophobicContact CE1-CG2 3.6Å; F96-I126 HydrophobicContact CZ-CD1 3.81Å; F96-I126 HydrophobicContact CZ-CG1 4.36Å; F96-I126 HydrophobicContact CZ-CG2 4.34Å; I100-I126 HydrophobicContact CB-CG2 4.32Å; I100-I126 HydrophobicContact CD1-CD1 4.22Å; I100-I126 HydrophobicContact CG1-CD1 4.09Å; I100-I126 HydrophobicContact CG1-CG2 4.39Å; I100-I126 HydrophobicContact CG2-CB 4.36Å; I100-I126 HydrophobicContact CG2-CD1 3.83Å; I100-I126 HydrophobicContact CG2-CG2 4.1Å; I122-I126 HydrophobicContact CG2-CD1 3.75Å; I122-I126 HydrophobicContact CG2-CG1 4.42Å; I122-I126 WeakPolarHBondContact O-CG1 3.32Å; I122-I126 PolarHBondContact O-N 2.95Å; H123-I126 PolarHBondContact O-N 3.32Å; H123-I126 VanDerWaalsContact O-N 3.17Å; K124-I126 VanDerWaalsContact C-N 3.3Å; K124-I126 PolarHBondContact O-N 3.46Å; I126-N129 CarbonylContact O-C 3.54Å; I126-N129 PolarHBondContact O-N 2.95Å; I126-A130 VanDerWaalsContact O-CA 3.28Å; I126-A130 WeakPolarHBondContact O-CA 3.36Å; I126-A130 PolarHBondContact O-N 3.13Å; I126-L133 HydrophobicContact CB-CD1 4.35Å; I126-L133 HydrophobicContact CG1-CD1 4.2Å; I126-L133 HydrophobicContact CG2-CD1 4.3Å; I126-V178 HydrophobicContact CD1-CG1 4.28Å; I126-V178 HydrophobicContact CG1-CB 4.36Å; I126-V178 HydrophobicContact CG1-CG1 3.8Å; I126-V178 HydrophobicContact CG1-CG2 4.45Å
127M97.4Very high96.9Very high63 Ų6348.5 Ų48.531%0.3126%0.264SS..Hα-helixtrans-66.5-41.3179-66-51169.200112.6S97 I100 D101 H123 K124 N129 A130S97-M127 WeakPolarHBondContact O-CE 3.47Å; I100-M127 HydrophobicContact CG2-CE 4.47Å; D101-M127 HydrophobicContact CB-CE 3.44Å; D101-M127 VanDerWaalsContact CB-CE 3.44Å; D101-M127 WeakPolarHBondContact OD1-CE 3.5Å; H123-M127 WeakPolarHBondContact NE2-CE 3.4Å; H123-M127 WeakPolarHBondContact O-CG 3.46Å; H123-M127 PolarHBondContact O-N 3.01Å; K124-M127 PolarHBondContact O-N 2.86Å; M127-N129 PolarHBondContact O-N 3.48Å; M127-A130 PolarHBondContact O-N 2.92Å
128E97.6Very high97.1Very high106 Ų10649.4 Ų49.450%0.49527%0.271SS..Hα-helixtrans-62.3-23.9176.1-73.8173.8176.300112.7K124K124-E128 WeakPolarHBondContact CE-OE1 3.43Å; K124-E128 HydrophobicContact CG-CG 4.4Å; K124-E128 WeakPolarHBondContact CG-OE1 3.34Å; K124-E128 IonicContact NZ-OE1 2.78Å; K124-E128 WeakPolarHBondContact O-CB 3.32Å; K124-E128 VanDerWaalsContact O-CG 3.31Å; K124-E128 WeakPolarHBondContact O-CG 3.36Å; K124-E128 PolarHBondContact O-N 3.09Å
129N97.4Very high97Very high50 Ų5050.8 Ų50.827%0.26728%0.277SS..THydrogen-bonded Turntrans-120.322.1-176.9-62.7-86.5000112.8I125 I126 M127 D131 R132 L133 I185I125-N129 PolarHBondContact O-N 3.35Å; I125-N129 PolarHBondContact O-ND2 2.97Å; I126-N129 CarbonylContact O-C 3.54Å; I126-N129 PolarHBondContact O-N 2.95Å; M127-N129 PolarHBondContact O-N 3.48Å; N129-D131 PolarHBondContact O-N 3.17Å; N129-R132 PolarHBondContact O-N 2.72Å; N129-L133 HydrophobicContact CB-CD1 4.03Å; N129-L133 HydrophobicContact CB-CG 4.2Å; N129-L133 WeakPolarHBondContact O-CG 3.34Å; N129-L133 PolarHBondContact O-N 3.3Å; N129-I185 HydrophobicContact CB-CD1 4.25Å; N129-I185 HydrophobicContact CB-CG1 4.36Å
130A96.6Very high97Very high19 Ų1954.4 Ų54.416%0.15730%0.296CS..Hα-helixtrans-56.5-49-167.600000112.8I126 M127 R132 L133 N134I126-A130 VanDerWaalsContact O-CA 3.28Å; I126-A130 WeakPolarHBondContact O-CA 3.36Å; I126-A130 PolarHBondContact O-N 3.13Å; M127-A130 PolarHBondContact O-N 2.92Å; A130-R132 VanDerWaalsContact C-N 3.3Å; A130-R132 PolarHBondContact O-N 3.19Å; A130-L133 PolarHBondContact O-N 3.22Å; A130-N134 WeakPolarHBondContact O-CB 3.38Å; A130-N134 PolarHBondContact O-N 2.85Å; A130-N134 PolarHBondContact O-ND2 3.46Å; A130-N134 VanDerWaalsContact O-ND2 3.09Å
131D96.6Very high97Very high142 Ų14253 Ų5376%0.75928%0.282SS*.Hα-helixtrans-58.2-44.1-178.5-68.3-20.4000112N129 S135N129-D131 PolarHBondContact O-N 3.17Å; D131-S135 VanDerWaalsContact O-CB 3.32Å; D131-S135 WeakPolarHBondContact O-CB 3.29Å; D131-S135 PolarHBondContact O-N 3.2Å; D131-S135 PolarHBondContact O-OG 3.16Å
132R97.2Very high97Very high108 Ų10850.2 Ų50.241%0.40826%0.26SS..Hα-helixtrans-69.8-44.6-178.6-172.8173.1-177.1168.75.2112N129 A130 S135 A136 E186 I189N129-R132 PolarHBondContact O-N 2.72Å; A130-R132 VanDerWaalsContact C-N 3.3Å; A130-R132 PolarHBondContact O-N 3.19Å; R132-S135 PolarHBondContact O-OG 3.24Å; R132-S135 VanDerWaalsContact O-OG 3.07Å; R132-A136 WeakPolarHBondContact O-CB 3.23Å; R132-A136 PolarHBondContact O-N 3.16Å; R132-A136 VanDerWaalsContact O-N 3.1Å; R132-E186 IonicContact CZ-OE1 2.75Å; R132-E186 IonicContact CZ-OE2 3.71Å; R132-E186 IonicContact NH1-OE1 3.74Å; R132-E186 PolarHBondContact NH1-OE1 3.33Å; R132-E186 IonicContact NH2-OE1 2.86Å; R132-E186 PolarHBondContact NH2-OE1 2.65Å; R132-E186 IonicContact NH2-OE2 2.83Å; R132-E186 PolarHBondContact NH2-OE2 3.07Å; R132-I189 HydrophobicContact CG-CD1 4.1Å
133L97.5Very high96.8Very high0 Ų050.8 Ų50.80%026%0.262CS..Hα-helixtrans-69.9-40.4179.8-67.1173.1000111.6F96 I126 N129 A130 A136 I137 M174 V178 I185F96-L133 HydrophobicContact CD1-CB 4.27Å; F96-L133 HydrophobicContact CE1-CB 4.42Å; F96-L133 HydrophobicContact CE1-CD1 4.35Å; I126-L133 HydrophobicContact CB-CD1 4.35Å; I126-L133 HydrophobicContact CG1-CD1 4.2Å; I126-L133 HydrophobicContact CG2-CD1 4.3Å; N129-L133 HydrophobicContact CB-CD1 4.03Å; N129-L133 HydrophobicContact CB-CG 4.2Å; N129-L133 WeakPolarHBondContact O-CG 3.34Å; N129-L133 PolarHBondContact O-N 3.3Å; A130-L133 PolarHBondContact O-N 3.22Å; L133-A136 PolarHBondContact O-N 2.85Å; L133-I137 WeakPolarHBondContact O-CG1 3.39Å; L133-M174 HydrophobicContact CD2-SD 3.85Å; L133-V178 HydrophobicContact CD1-CG2 4.07Å; L133-V178 HydrophobicContact CD2-CG2 3.97Å; L133-I185 HydrophobicContact CD2-CG2 4.04Å
134N97.5Very high96.4Very high36 Ų3654.3 Ų54.319%0.19328%0.281CS..Hα-helixtrans-63.4-41.4177-77.5-35.1000112F96 S97 A130 I137F96-N134 WeakPolarHBondContact CA-OD1 3.4Å; F96-N134 WeakPolarHBondContact CB-OD1 3.34Å; F96-N134 PolarHBondContact N-OD1 2.98Å; S97-N134 PolarHBondContact N-OD1 3.14Å; S97-N134 PolarHBondContact OG-ND2 3.15Å; A130-N134 WeakPolarHBondContact O-CB 3.38Å; A130-N134 PolarHBondContact O-N 2.85Å; A130-N134 PolarHBondContact O-ND2 3.46Å; A130-N134 VanDerWaalsContact O-ND2 3.09Å; N134-I137 PolarHBondContact O-N 3.4Å
135S96.6Very high96.1Very high95 Ų9549.3 Ų49.366%0.66426%0.26SS*.Hα-helixtrans-75.7-26.5-179.5560000113.6D131 R132 I137D131-S135 VanDerWaalsContact O-CB 3.32Å; D131-S135 WeakPolarHBondContact O-CB 3.29Å; D131-S135 PolarHBondContact O-N 3.2Å; D131-S135 PolarHBondContact O-OG 3.16Å; R132-S135 PolarHBondContact O-OG 3.24Å; R132-S135 VanDerWaalsContact O-OG 3.07Å; S135-I137 VanDerWaalsContact C-N 3.26Å; S135-I137 PolarHBondContact O-N 3.21Å
136A97.6Very high95.6Very high22 Ų2250 Ų5018%0.18227%0.266CS..Hα-helixtrans-69.4-21.5174.400000113.4R132 L133 M174 I189 Y192R132-A136 WeakPolarHBondContact O-CB 3.23Å; R132-A136 PolarHBondContact O-N 3.16Å; R132-A136 VanDerWaalsContact O-N 3.1Å; L133-A136 PolarHBondContact O-N 2.85Å; A136-M174 HydrophobicContact CB-CE 4.1Å; A136-I189 HydrophobicContact CB-CD1 4.18Å; A136-I189 HydrophobicContact CB-CG1 4.11Å; A136-I189 HydrophobicContact CB-CG2 4.32Å; A136-Y192 VanDerWaalsContact O-CE1 3.32Å; A136-Y192 WeakPolarHBondContact O-CE1 3.38Å
137I97.7Very high95.2Very high12 Ų1250.1 Ų50.16%0.06227%0.266CS..  trans-77.8130.5-176.6-68167.3000111.7F96 L133 N134 S135 Y139 Q170 M174 Y192F96-I137 HydrophobicContact CB-CD1 3.34Å; F96-I137 HydrophobicContact CD1-CD1 4.19Å; F96-I137 HydrophobicContact CD2-CD1 4.21Å; F96-I137 HydrophobicContact CG-CD1 3.67Å; L133-I137 WeakPolarHBondContact O-CG1 3.39Å; N134-I137 PolarHBondContact O-N 3.4Å; S135-I137 VanDerWaalsContact C-N 3.26Å; S135-I137 PolarHBondContact O-N 3.21Å; I137-Y139 HydrophobicContact CB-CE2 4.33Å; I137-Y139 HydrophobicContact CG2-CD1 3.96Å; I137-Y139 HydrophobicContact CG2-CD2 4.12Å; I137-Y139 HydrophobicContact CG2-CE1 3.53Å; I137-Y139 HydrophobicContact CG2-CE2 3.71Å; I137-Y139 HydrophobicContact CG2-CG 4.21Å; I137-Q170 HydrophobicContact CG2-CB 3.6Å; I137-Q170 HydrophobicContact CG2-CG 4.1Å; I137-M174 HydrophobicContact CD1-CB 3.98Å; I137-M174 HydrophobicContact CD1-CE 4.36Å; I137-M174 HydrophobicContact CD1-CG 4.1Å; I137-M174 HydrophobicContact CG1-CB 4.3Å; I137-M174 HydrophobicContact CG1-CE 3.68Å; I137-M174 HydrophobicContact CG1-CG 4.41Å; I137-Y192 WeakPolarHBondContact CA-OH 3.46Å; I137-Y192 HydrophobicContact CG1-CE2 4.25Å
138V97.4Very high94.6Very high59 Ų5948 Ų4836%0.35826%0.255SS..  trans-112.792.8178.9-175.90000108.6D140 R141 Y192V138-D140 HydrophobicContact CG1-CB 4.37Å; V138-D140 PolarHBondContact O-N 2.81Å; V138-D140 VanDerWaalsContact O-N 3.16Å; V138-R141 HydrophobicContact CB-CG 4.16Å; V138-R141 HydrophobicContact CG1-CG 4.07Å; V138-R141 WeakPolarHBondContact O-CB 3.27Å; V138-R141 PolarHBondContact O-N 3.25Å; V138-R141 VanDerWaalsContact O-N 3.09Å; V138-Y192 PolarHBondContact N-OH 3.3Å
139Y96.5Very high94.3Very high30 Ų3043 Ų4312%0.11823%0.231CC..G310 helixtrans-62.9-21.4-175.9-68-71.2000114.2K94 I137 R141 D142 Q170 H171K94-Y139 HydrophobicContact CG-CD2 4.39Å; K94-Y139 HydrophobicContact CG-CE2 4.07Å; K94-Y139 PolarHBondContact O-OH 3.12Å; I137-Y139 HydrophobicContact CB-CE2 4.33Å; I137-Y139 HydrophobicContact CG2-CD1 3.96Å; I137-Y139 HydrophobicContact CG2-CD2 4.12Å; I137-Y139 HydrophobicContact CG2-CE1 3.53Å; I137-Y139 HydrophobicContact CG2-CE2 3.71Å; I137-Y139 HydrophobicContact CG2-CG 4.21Å; Y139-R141 PolarHBondContact O-N 3.25Å; Y139-D142 WeakPolarHBondContact O-CB 3.25Å; Y139-D142 PolarHBondContact O-N 2.76Å; Y139-Q170 HydrophobicContact CD1-CB 4.42Å; Y139-Q170 HydrophobicContact CD1-CG 4.44Å; Y139-Q170 HydrophobicContact CE1-CB 4.42Å; Y139-H171 AromaticContact CE1-CD2 3.86Å; Y139-H171 AromaticContact CE1-NE2 3.38Å; Y139-H171 WeakPolarHBondContact CE1-NE2 3.2Å; Y139-H171 AromaticContact CZ-NE2 3.66Å; Y139-H171 PolarHBondContact OH-NE2 3.2Å; Y139-H171 VanDerWaalsContact OH-NE2 3.12Å
140D94.9Very high94Very high118 Ų11840.6 Ų40.663%0.63122%0.219SC*.G310 helixtrans-63.6-23176.2-67.8-21.8000112.4V138 D142 F143V138-D140 HydrophobicContact CG1-CB 4.37Å; V138-D140 PolarHBondContact O-N 2.81Å; V138-D140 VanDerWaalsContact O-N 3.16Å; D140-D142 PolarHBondContact O-N 2.95Å; D140-F143 PolarHBondContact O-N 3.35Å; D140-F143 VanDerWaalsContact O-N 3.11Å
141R95.4Very high93.7Very high32 Ų3241.4 Ų41.412%0.12122%0.219CC..G310 helixtrans-66.4-18.5175.2-65.1-179.2177.4152.5-1.1112.8V138 Y139 F143 N144 N193 S196 E197V138-R141 HydrophobicContact CB-CG 4.16Å; V138-R141 HydrophobicContact CG1-CG 4.07Å; V138-R141 WeakPolarHBondContact O-CB 3.27Å; V138-R141 PolarHBondContact O-N 3.25Å; V138-R141 VanDerWaalsContact O-N 3.09Å; Y139-R141 PolarHBondContact O-N 3.25Å; R141-F143 PolarHBondContact O-N 3.37Å; R141-N144 WeakPolarHBondContact O-CB 3.33Å; R141-N144 PolarHBondContact O-N 2.82Å; R141-N193 PolarHBondContact NH1-OD1 3.4Å; R141-N193 PolarHBondContact NH2-OD1 2.73Å; R141-S196 WeakPolarHBondContact CD-OG 3.49Å; R141-S196 PolarHBondContact NH1-OG 2.94Å; R141-E197 IonicContact CZ-OE1 2.69Å; R141-E197 IonicContact NE-OE1 3.13Å; R141-E197 IonicContact NH2-OE1 3.77Å; R141-E197 PolarHBondContact NH2-OE1 3.39Å
142D95.9Very high93.4Very high0 Ų035.8 Ų35.80%019%0.189CC..G310 helixtrans-63.6-29.3172.3-71.9-24.7000112V85 H89 Y139 D140 N144 F145 P169 Q170V85-D142 HydrophobicContact CG1-CB 3.53Å; V85-D142 WeakPolarHBondContact CG2-O 3.37Å; H89-D142 IonicContact CD2-OD2 3.47Å; H89-D142 IonicContact CE1-OD2 2.8Å; H89-D142 IonicContact NE2-OD2 3.1Å; H89-D142 PolarHBondContact NE2-OD2 2.99Å; Y139-D142 WeakPolarHBondContact O-CB 3.25Å; Y139-D142 PolarHBondContact O-N 2.76Å; D140-D142 PolarHBondContact O-N 2.95Å; D142-N144 PolarHBondContact O-N 3.35Å; D142-F145 WeakPolarHBondContact O-CD2 3.45Å; D142-F145 PolarHBondContact O-N 2.95Å; D142-P169 WeakPolarHBondContact OD1-CB 3.22Å; D142-P169 WeakPolarHBondContact OD1-CD 3.38Å; D142-P169 WeakPolarHBondContact OD1-CG 3.46Å; D142-Q170 VanDerWaalsContact OD1-CG 3.25Å; D142-Q170 WeakPolarHBondContact OD1-CG 3.49Å; D142-Q170 PolarHBondContact OD1-N 3.02Å; D142-Q170 VanDerWaalsContact OD1-N 3.12Å; D142-Q170 PolarHBondContact OD1-NE2 3.4Å
143F93Very high93.2Very high26 Ų2630.6 Ų30.611%0.11417%0.17CC..G310 helixtrans-76.3-4.3179.3-62.6-74.1000113.6R82 V85 H89 D140 R141R82-F143 HydrophobicContact CB-CD1 4.03Å; R82-F143 HydrophobicContact CG-CB 4.3Å; R82-F143 HydrophobicContact CG-CD1 3.9Å; V85-F143 HydrophobicContact CB-CD1 3.98Å; V85-F143 HydrophobicContact CB-CE1 3.95Å; V85-F143 HydrophobicContact CG1-CD1 3.71Å; V85-F143 HydrophobicContact CG1-CE1 3.57Å; V85-F143 HydrophobicContact CG1-CE2 4.45Å; V85-F143 HydrophobicContact CG1-CG 4.23Å; V85-F143 HydrophobicContact CG1-CZ 3.96Å; H89-F143 AromaticContact CE1-CE2 3.85Å; H89-F143 AromaticContact CE1-CZ 3.96Å; H89-F143 AromaticContact ND1-CZ 3.92Å; D140-F143 PolarHBondContact O-N 3.35Å; D140-F143 VanDerWaalsContact O-N 3.11Å; R141-F143 PolarHBondContact O-N 3.37Å
144N90.3Very high92.9Very high98 Ų9833 Ų3352%0.52418%0.181SC..G310 helixtrans-84-12.2177.3-65.6-22.6000112.8R141 D142 K198R141-N144 WeakPolarHBondContact O-CB 3.33Å; R141-N144 PolarHBondContact O-N 2.82Å; D142-N144 PolarHBondContact O-N 3.35Å; N144-K198 WeakPolarHBondContact O-CE 3.18Å; N144-K198 PolarHBondContact O-NZ 2.9Å
145F90.2Very high92.4Very high11 Ų1139.7 Ų39.75%0.04820%0.204CC..SBendtrans-72.1146177.2-68.8-75.2000111.5A81 D142 F150 L153 P169 I616A81-F145 WeakPolarHBondContact CB-O 3.28Å; D142-F145 WeakPolarHBondContact O-CD2 3.45Å; D142-F145 PolarHBondContact O-N 2.95Å; F145-F150 HydrophobicContact CB-CB 4.23Å; F145-L153 HydrophobicContact CD1-CD1 4.03Å; F145-L153 HydrophobicContact CE1-CD1 3.85Å; F145-L153 HydrophobicContact CE2-CD1 4.36Å; F145-L153 HydrophobicContact CG-CD1 4.38Å; F145-L153 HydrophobicContact CZ-CD1 4.03Å; F145-P169 HydrophobicContact CD2-CB 4.21Å; F145-P169 HydrophobicContact CD2-CG 4.35Å; F145-P169 HydrophobicContact CE2-CB 3.56Å; F145-P169 HydrophobicContact CE2-CG 4.19Å; F145-P169 HydrophobicContact CZ-CB 4.15Å; F145-I616 HydrophobicContact CD1-CG2 4.29Å; F145-I616 WeakPolarHBondContact CD1-O 3.36Å; F145-I616 HydrophobicContact CE1-CG2 3.91Å
146S87.6Confident91.9Very high24 Ų2437.7 Ų37.717%0.16819%0.19CC..  trans-72.6159.1167.571.40000109.6F148 G149 F150S146-F148 VanDerWaalsContact C-N 3.28Å; S146-F148 PolarHBondContact O-N 3.49Å; S146-G149 PolarHBondContact O-N 3.28Å; S146-G149 PolarHBondContact OG-N 3.15Å; S146-F150 WeakPolarHBondContact O-CB 3.36Å; S146-F150 PolarHBondContact O-N 3.39Å
147Y87.8Confident91.6Very high2 Ų237 Ų371%0.00818%0.182CC..Hα-helixtrans-55.8-45.6179.2177-105.5000111.7A63 A67 A80 A84 F150 K151A63-Y147 HydrophobicContact CB-CE2 3.95Å; A67-Y147 HydrophobicContact CB-CD1 3.67Å; A67-Y147 HydrophobicContact CB-CE1 3.67Å; A67-Y147 HydrophobicContact CB-CG 4.18Å; A80-Y147 HydrophobicContact CB-CD2 3.85Å; A80-Y147 HydrophobicContact CB-CG 4.01Å; A84-Y147 HydrophobicContact CB-CD2 4.36Å; A84-Y147 HydrophobicContact CB-CE2 4.29Å; Y147-F150 PolarHBondContact O-N 2.99Å; Y147-K151 HydrophobicContact CD1-CG 4.49Å; Y147-K151 HydrophobicContact CE1-CG 4.11Å; Y147-K151 HydrophobicContact CE2-CD 4.49Å; Y147-K151 HydrophobicContact CE2-CG 4.1Å; Y147-K151 WeakPolarHBondContact O-CG 3.24Å; Y147-K151 PolarHBondContact O-N 3.22Å; Y147-K151 WeakPolarHBondContact OH-CE 3.26Å
148F86.4Confident91.5Very high18 Ų1836.6 Ų36.68%0.07918%0.181CC..Hα-helixtrans-70.6-36.2179.4-59.8-76.9000112.9S146 K151 T152 R633 V635 F640 I642S146-F148 VanDerWaalsContact C-N 3.28Å; S146-F148 PolarHBondContact O-N 3.49Å; F148-K151 PolarHBondContact O-N 3.28Å; F148-T152 PolarHBondContact O-N 3.27Å; F148-T152 PolarHBondContact O-OG1 3.3Å; F148-T152 VanDerWaalsContact O-OG1 3.1Å; F148-R633 HydrophobicContact CD1-CB 4.04Å; F148-R633 HydrophobicContact CD1-CG 4.43Å; F148-R633 HydrophobicContact CE1-CB 3.88Å; F148-V635 HydrophobicContact CD1-CG1 3.96Å; F148-V635 HydrophobicContact CE1-CG1 4.07Å; F148-F640 HydrophobicContact CE1-CB 4.06Å; F148-F640 HydrophobicContact CE1-CD2 4.25Å; F148-F640 HydrophobicContact CE1-CG 4.17Å; F148-F640 HydrophobicContact CZ-CB 3.77Å; F148-F640 HydrophobicContact CZ-CG 4.06Å; F148-I642 HydrophobicContact CD1-CD1 4.33Å; F148-I642 HydrophobicContact CD2-CD1 3.5Å; F148-I642 HydrophobicContact CE1-CD1 3.99Å; F148-I642 HydrophobicContact CE2-CD1 3.11Å; F148-I642 HydrophobicContact CE2-CG1 3.79Å; F148-I642 HydrophobicContact CG-CD1 4.12Å; F148-I642 HydrophobicContact CZ-CD1 3.39Å; F148-I642 HydrophobicContact CZ-CG1 3.94Å
149G89.9Confident91.4Very high0 Ų035.4 Ų35.40%017%0.172CC..Hα-helixtrans-64.3-43.6174.400000111.5S146 T152 L153 Q615S146-G149 PolarHBondContact O-N 3.28Å; S146-G149 PolarHBondContact OG-N 3.15Å; G149-T152 WeakPolarHBondContact O-CB 3.37Å; G149-T152 PolarHBondContact O-N 3.17Å; G149-L153 PolarHBondContact O-N 3.41Å; G149-L153 VanDerWaalsContact O-N 3.07Å; G149-Q615 VanDerWaalsContact CA-O 3.23Å; G149-Q615 WeakPolarHBondContact CA-O 3.43Å
150F92.4Very high91.2Very high0 Ų037.6 Ų37.60%018%0.182CC..Hα-helixtrans-62.3-46.3174.6177.4-101.5000112.2A84 V85 L88 F145 S146 Y147 T152 L153 E154 P169A84-F150 HydrophobicContact CB-CD1 3.75Å; A84-F150 HydrophobicContact CB-CE1 3.68Å; V85-F150 HydrophobicContact CG2-CD2 3.69Å; V85-F150 HydrophobicContact CG2-CE2 3.85Å; V85-F150 HydrophobicContact CG2-CG 4.1Å; V85-F150 HydrophobicContact CG2-CZ 4.4Å; L88-F150 HydrophobicContact CB-CE2 4.47Å; L88-F150 HydrophobicContact CB-CZ 3.91Å; L88-F150 HydrophobicContact CD2-CE2 3.54Å; L88-F150 HydrophobicContact CD2-CZ 3.65Å; L88-F150 HydrophobicContact CG-CZ 4.31Å; F145-F150 HydrophobicContact CB-CB 4.23Å; S146-F150 WeakPolarHBondContact O-CB 3.36Å; S146-F150 PolarHBondContact O-N 3.39Å; Y147-F150 PolarHBondContact O-N 2.99Å; F150-T152 VanDerWaalsContact C-N 3.28Å; F150-T152 PolarHBondContact O-N 2.94Å; F150-L153 WeakPolarHBondContact O-CB 3.32Å; F150-L153 PolarHBondContact O-N 3.18Å; F150-L153 VanDerWaalsContact O-N 3.09Å; F150-E154 HydrophobicContact CE1-CB 4.49Å; F150-E154 WeakPolarHBondContact O-CB 3.45Å; F150-E154 PolarHBondContact O-N 2.87Å; F150-P169 HydrophobicContact CD2-CG 4.31Å; F150-P169 HydrophobicContact CE2-CG 4.23Å
151K90Very high91.2Very high36 Ų3633.7 Ų33.716%0.15716%0.161CC..Hα-helixtrans-62.6-33.6176.8-72.6-60.8-179.3-177.10112.9Y147 F148 E154 R155Y147-K151 HydrophobicContact CD1-CG 4.49Å; Y147-K151 HydrophobicContact CE1-CG 4.11Å; Y147-K151 HydrophobicContact CE2-CD 4.49Å; Y147-K151 HydrophobicContact CE2-CG 4.1Å; Y147-K151 WeakPolarHBondContact O-CG 3.24Å; Y147-K151 PolarHBondContact O-N 3.22Å; Y147-K151 WeakPolarHBondContact OH-CE 3.26Å; F148-K151 PolarHBondContact O-N 3.28Å; K151-E154 WeakPolarHBondContact CD-OE2 3.29Å; K151-E154 WeakPolarHBondContact CE-OE2 3.38Å; K151-E154 IonicContact NZ-OE1 3.47Å; K151-E154 IonicContact NZ-OE2 3.34Å; K151-E154 PolarHBondContact NZ-OE2 3.33Å; K151-R155 WeakPolarHBondContact O-CB 3.37Å; K151-R155 PolarHBondContact O-N 2.93Å
152T89.6Confident91Very high24 Ų2437.3 Ų37.315%0.14718%0.182CC..Hα-helixtrans-64-45171.3-65.90000111.6F148 G149 F150 R155 S156 Y157 Q615 I616F148-T152 PolarHBondContact O-N 3.27Å; F148-T152 PolarHBondContact O-OG1 3.3Å; F148-T152 VanDerWaalsContact O-OG1 3.1Å; G149-T152 WeakPolarHBondContact O-CB 3.37Å; G149-T152 PolarHBondContact O-N 3.17Å; F150-T152 VanDerWaalsContact C-N 3.28Å; F150-T152 PolarHBondContact O-N 2.94Å; T152-R155 PolarHBondContact O-N 2.83Å; T152-S156 PolarHBondContact O-N 3.16Å; T152-Y157 HydrophobicContact CG2-CD2 4.36Å; T152-Y157 HydrophobicContact CG2-CE2 3.85Å; T152-Y157 WeakPolarHBondContact O-CD2 3.25Å; T152-Q615 PolarHBondContact OG1-NE2 3.22Å; T152-I616 HydrophobicContact CG2-CD1 4.13Å; T152-I616 HydrophobicContact CG2-CG1 3.8Å
153L92.6Very high90.7Very high0 Ų040.4 Ų40.40%021%0.214CC..Hα-helixtrans-60.1-50.9175.4-72.1174.8000111.7F145 G149 F150 R155 S156 Y157 L158 P169 M172 I616F145-L153 HydrophobicContact CD1-CD1 4.03Å; F145-L153 HydrophobicContact CE1-CD1 3.85Å; F145-L153 HydrophobicContact CE2-CD1 4.36Å; F145-L153 HydrophobicContact CG-CD1 4.38Å; F145-L153 HydrophobicContact CZ-CD1 4.03Å; G149-L153 PolarHBondContact O-N 3.41Å; G149-L153 VanDerWaalsContact O-N 3.07Å; F150-L153 WeakPolarHBondContact O-CB 3.32Å; F150-L153 PolarHBondContact O-N 3.18Å; F150-L153 VanDerWaalsContact O-N 3.09Å; L153-R155 VanDerWaalsContact C-N 3.28Å; L153-R155 PolarHBondContact O-N 3.28Å; L153-S156 PolarHBondContact O-N 3.35Å; L153-Y157 HydrophobicContact CD2-CD2 4.24Å; L153-Y157 HydrophobicContact CD2-CG 3.93Å; L153-Y157 PolarHBondContact O-N 3.36Å; L153-L158 HydrophobicContact CB-CD1 4.47Å; L153-L158 HydrophobicContact CB-CG 4.28Å; L153-L158 PolarHBondContact O-N 3.41Å; L153-L158 VanDerWaalsContact O-N 3.08Å; L153-P169 HydrophobicContact CD1-CB 4.09Å; L153-P169 HydrophobicContact CD1-CG 4.3Å; L153-M172 HydrophobicContact CD2-CE 3.87Å; L153-I616 HydrophobicContact CD1-CG2 3.97Å; L153-I616 HydrophobicContact CD2-CD1 3.74Å; L153-I616 HydrophobicContact CD2-CG1 4.05Å; L153-I616 HydrophobicContact CD2-CG2 3.89Å; L153-I616 HydrophobicContact CG-CD1 4.35Å; L153-I616 HydrophobicContact CG-CG1 4.12Å; L153-I616 HydrophobicContact CG-CG2 3.9Å
154E91.3Very high90.7Very high49 Ų4944.3 Ų44.323%0.22923%0.231CC..Hα-helixtrans-58-38.5-179.9-176-176.7-125.500112.6F150 K151 K160 V165F150-E154 HydrophobicContact CE1-CB 4.49Å; F150-E154 WeakPolarHBondContact O-CB 3.45Å; F150-E154 PolarHBondContact O-N 2.87Å; K151-E154 WeakPolarHBondContact CD-OE2 3.29Å; K151-E154 WeakPolarHBondContact CE-OE2 3.38Å; K151-E154 IonicContact NZ-OE1 3.47Å; K151-E154 IonicContact NZ-OE2 3.34Å; K151-E154 PolarHBondContact NZ-OE2 3.33Å; E154-K160 WeakPolarHBondContact O-CE 3.17Å; E154-K160 PolarHBondContact O-NZ 3.33Å; E154-V165 HydrophobicContact CG-CG2 4.12Å
155R87.2Confident90.9Very high177 Ų17740.7 Ų40.767%0.66821%0.213SC*.Hα-helixtrans-66.9-49.3-179-174.4177.3175.7179.1-1.8111.8K151 T152 L153 K160K151-R155 WeakPolarHBondContact O-CB 3.37Å; K151-R155 PolarHBondContact O-N 2.93Å; T152-R155 PolarHBondContact O-N 2.83Å; L153-R155 VanDerWaalsContact C-N 3.28Å; L153-R155 PolarHBondContact O-N 3.28Å; R155-K160 PolarHBondContact O-NZ 3.23Å
156S85.7Confident91.2Very high53 Ų5340.9 Ų40.937%0.37122%0.217SC..Hα-helixtrans-127.3-23.8-161.6-56.90000116T152 L153 F208T152-S156 PolarHBondContact O-N 3.16Å; L153-S156 PolarHBondContact O-N 3.35Å; S156-F208 WeakPolarHBondContact O-CD1 3.38Å; S156-F208 WeakPolarHBondContact O-CE1 3.37Å
157Y92Very high91.7Very high7 Ų739.8 Ų39.83%0.02721%0.209CC..THydrogen-bonded Turntrans-103.8-35.1-167.7-67.3-98.8000114T152 L153 S204 L207 F208 S612 I616T152-Y157 HydrophobicContact CG2-CD2 4.36Å; T152-Y157 HydrophobicContact CG2-CE2 3.85Å; T152-Y157 WeakPolarHBondContact O-CD2 3.25Å; L153-Y157 HydrophobicContact CD2-CD2 4.24Å; L153-Y157 HydrophobicContact CD2-CG 3.93Å; L153-Y157 PolarHBondContact O-N 3.36Å; Y157-S204 WeakPolarHBondContact OH-CB 3.37Å; Y157-S204 PolarHBondContact OH-OG 2.91Å; Y157-L207 HydrophobicContact CD1-CB 3.74Å; Y157-L207 HydrophobicContact CD1-CD1 4.05Å; Y157-L207 HydrophobicContact CE1-CB 4.01Å; Y157-L207 HydrophobicContact CE1-CD1 3.86Å; Y157-F208 AromaticContact CD1-CD1 3.65Å; Y157-F208 HydrophobicContact CD1-CD1 3.65Å; Y157-F208 AromaticContact CD1-CE1 3.27Å; Y157-F208 HydrophobicContact CD1-CE1 3.27Å; Y157-F208 HydrophobicContact CD1-CZ 4.01Å; Y157-F208 AromaticContact CD2-CE1 3.8Å; Y157-F208 HydrophobicContact CD2-CE1 3.8Å; Y157-F208 HydrophobicContact CD2-CZ 4.39Å; Y157-F208 HydrophobicContact CE1-CD1 4.01Å; Y157-F208 AromaticContact CE1-CE1 3.37Å; Y157-F208 HydrophobicContact CE1-CE1 3.37Å; Y157-F208 HydrophobicContact CE1-CE2 4.39Å; Y157-F208 AromaticContact CE1-CZ 3.59Å; Y157-F208 HydrophobicContact CE1-CZ 3.59Å; Y157-F208 AromaticContact CE2-CE1 3.87Å; Y157-F208 HydrophobicContact CE2-CE1 3.87Å; Y157-F208 HydrophobicContact CE2-CZ 4Å; Y157-F208 HydrophobicContact CG-CD1 4.08Å; Y157-F208 AromaticContact CG-CE1 3.5Å; Y157-F208 HydrophobicContact CG-CE1 3.5Å; Y157-F208 VanDerWaalsContact CG-CE1 3.5Å; Y157-F208 HydrophobicContact CG-CZ 4.39Å; Y157-F208 AromaticContact CZ-CE1 3.67Å; Y157-F208 AromaticContact CZ-CZ 3.59Å; Y157-S612 VanDerWaalsContact OH-CB 3.23Å; Y157-S612 WeakPolarHBondContact OH-CB 2.91Å; Y157-I616 HydrophobicContact CD1-CD1 4.41Å; Y157-I616 HydrophobicContact CD2-CD1 4.07Å; Y157-I616 HydrophobicContact CE1-CD1 4.07Å; Y157-I616 HydrophobicContact CE2-CD1 3.72Å; Y157-I616 HydrophobicContact CG-CD1 4.41Å
158L95.1Very high92.2Very high5 Ų540.3 Ų40.33%0.02621%0.211CC..SBendtrans-78127.1179.7-54.4179.5000109.7L88 L153 V165 E167 M172L88-L158 HydrophobicContact CD2-CD1 4.15Å; L153-L158 HydrophobicContact CB-CD1 4.47Å; L153-L158 HydrophobicContact CB-CG 4.28Å; L153-L158 PolarHBondContact O-N 3.41Å; L153-L158 VanDerWaalsContact O-N 3.08Å; L158-V165 HydrophobicContact CB-CG1 3.72Å; L158-V165 HydrophobicContact CD1-CG1 3.85Å; L158-V165 HydrophobicContact CG-CG1 4.43Å; L158-E167 HydrophobicContact CB-CB 4.33Å; L158-E167 WeakPolarHBondContact CD1-O 3.41Å; L158-E167 HydrophobicContact CD2-CB 4.4Å; L158-M172 HydrophobicContact CD2-CB 3.92Å
159L94.8Very high92.7Very high33 Ų3339.5 Ų39.517%0.17321%0.207CC..  trans-64.5143.4178.4-65.6173.8000111.1L103 I118 A166 E167L103-L159 HydrophobicContact CD1-CB 4.28Å; L103-L159 HydrophobicContact CD1-CD1 3.96Å; L103-L159 HydrophobicContact CD2-CB 3.87Å; L103-L159 HydrophobicContact CD2-CD1 4.4Å; I118-L159 HydrophobicContact CD1-CD1 4.04Å; L159-A166 PolarHBondContact O-N 2.99Å; L159-E167 HydrophobicContact CB-CG 4.01Å; L159-E167 WeakPolarHBondContact CB-OE2 3.37Å; L159-E167 VanDerWaalsContact CG-OE2 3.29Å; L159-E167 WeakPolarHBondContact CG-OE2 3.38Å; L159-E167 PolarHBondContact N-OE2 3.5Å; L159-E167 PolarHBondContact O-N 3.14Å
160K94.2Very high93.1Very high76 Ų7639.5 Ų39.533%0.3321%0.207SC..EExtended strand (participates in β ladder)trans-121.7134.1-172.4-66.2173.9-178.8173.20110.7M117 E154 R155 K164 V165M117-K160 WeakPolarHBondContact CE-O 3.35Å; E154-K160 WeakPolarHBondContact O-CE 3.17Å; E154-K160 PolarHBondContact O-NZ 3.33Å; R155-K160 PolarHBondContact O-NZ 3.23Å; K160-K164 CarbonylContact C-O 3.55Å; K160-K164 WeakPolarHBondContact CA-O 3.47Å; K160-K164 WeakPolarHBondContact CB-O 3.45Å; K160-V165 HydrophobicContact CD-CG2 4.48Å; K160-V165 HydrophobicContact CG-CG2 4.13Å
161I94.2Very high93.3Very high36 Ų3639.5 Ų39.519%0.18521%0.207CC..EExtended strand (participates in β ladder)trans-103.1120.4170.2-69.6174.5000107.6D102 L103 G163 K164 A166D102-I161 HydrophobicContact CB-CD1 3.76Å; L103-I161 HydrophobicContact CD2-CD1 4.03Å; L103-I161 HydrophobicContact CD2-CG1 3.88Å; L103-I161 HydrophobicContact CG-CD1 4.44Å; I161-G163 PolarHBondContact O-N 2.87Å; I161-G163 VanDerWaalsContact O-N 3.15Å; I161-K164 PolarHBondContact N-O 2.86Å; I161-K164 PolarHBondContact O-N 3.34Å; I161-A166 HydrophobicContact CB-CB 4.45Å; I161-A166 HydrophobicContact CD1-CB 3.88Å; I161-A166 HydrophobicContact CG1-CB 3.96Å
162N91.2Very high93.7Very high108 Ų10838 Ų3858%0.57820%0.2SC*.THydrogen-bonded Turntrans51.737.5-179.2-56.4-27.2000113.4W106 K164W106-N162 PolarHBondContact NE1-OD1 3.27Å; W106-N162 VanDerWaalsContact NE1-OD1 3.12Å; N162-K164 VanDerWaalsContact C-N 3.26Å; N162-K164 PolarHBondContact O-N 2.91Å
163G89.3Confident94.1Very high65 Ų6537.1 Ų37.167%0.6720%0.195SC*.THydrogen-bonded Turntrans82-12.4-17800000115.4I161I161-G163 PolarHBondContact O-N 2.87Å; I161-G163 VanDerWaalsContact O-N 3.15Å
164K92.8Very high94.4Very high109 Ų10937.1 Ų37.147%0.47420%0.195SC..EExtended strand (participates in β ladder)trans-88.9136.7175-170178.7-176.5179.70110.6E91 K160 I161 N162 A166E91-K164 WeakPolarHBondContact O-CE 3.26Å; E91-K164 VanDerWaalsContact OE2-CE 3.23Å; E91-K164 WeakPolarHBondContact OE2-CE 3.41Å; E91-K164 IonicContact OE2-NZ 2.92Å; E91-K164 PolarHBondContact OE2-NZ 3.2Å; K160-K164 CarbonylContact C-O 3.55Å; K160-K164 WeakPolarHBondContact CA-O 3.47Å; K160-K164 WeakPolarHBondContact CB-O 3.45Å; I161-K164 PolarHBondContact N-O 2.86Å; I161-K164 PolarHBondContact O-N 3.34Å; N162-K164 VanDerWaalsContact C-N 3.26Å; N162-K164 PolarHBondContact O-N 2.91Å; K164-A166 PolarHBondContact O-N 2.82Å
165V95.3Very high94.7Very high21 Ų2134.8 Ų34.813%0.12718%0.184CC..EExtended strand (participates in β ladder)trans-63.4125.5176.3-179.70000109.9L88 E154 L158 K160 E167L88-V165 HydrophobicContact CD1-CB 4.06Å; L88-V165 HydrophobicContact CD1-CG1 3.72Å; E154-V165 HydrophobicContact CG-CG2 4.12Å; L158-V165 HydrophobicContact CB-CG1 3.72Å; L158-V165 HydrophobicContact CD1-CG1 3.85Å; L158-V165 HydrophobicContact CG-CG1 4.43Å; K160-V165 HydrophobicContact CD-CG2 4.48Å; K160-V165 HydrophobicContact CG-CG2 4.13Å; V165-E167 WeakPolarHBondContact CG1-O 3.37Å
166A96.6Very high95.2Very high16 Ų1626.4 Ų26.413%0.13215%0.152CC..  trans-99.6-39.7177.300000111.5V99 L103 L159 I161 K164V99-A166 HydrophobicContact CG1-CB 4.46Å; L103-A166 HydrophobicContact CD2-CB 4.19Å; L159-A166 PolarHBondContact O-N 2.99Å; I161-A166 HydrophobicContact CB-CB 4.45Å; I161-A166 HydrophobicContact CD1-CB 3.88Å; I161-A166 HydrophobicContact CG1-CB 3.96Å; K164-A166 PolarHBondContact O-N 2.82Å
167E97.4Very high95.8Very high0 Ų023.9 Ų23.90%014%0.135CC..  trans-84.5140.2-178.2-65.6-172.1125.600113.2V99 L103 L158 L159 V165 H171 R175V99-E167 HydrophobicContact CG1-CG 4.1Å; L103-E167 HydrophobicContact CD1-CG 3.85Å; L158-E167 HydrophobicContact CB-CB 4.33Å; L158-E167 WeakPolarHBondContact CD1-O 3.41Å; L158-E167 HydrophobicContact CD2-CB 4.4Å; L159-E167 HydrophobicContact CB-CG 4.01Å; L159-E167 WeakPolarHBondContact CB-OE2 3.37Å; L159-E167 VanDerWaalsContact CG-OE2 3.29Å; L159-E167 WeakPolarHBondContact CG-OE2 3.38Å; L159-E167 PolarHBondContact N-OE2 3.5Å; L159-E167 PolarHBondContact O-N 3.14Å; V165-E167 WeakPolarHBondContact CG1-O 3.37Å; E167-H171 HydrophobicContact CB-CB 4.17Å; E167-H171 HydrophobicContact CG-CB 4.4Å; E167-R175 IonicContact OE1-CZ 3.17Å; E167-R175 IonicContact OE1-NE 2.85Å; E167-R175 PolarHBondContact OE1-NE 3.04Å; E167-R175 IonicContact OE1-NH2 2.76Å; E167-R175 PolarHBondContact OE1-NH2 2.89Å; E167-R175 IonicContact OE2-CZ 3.76Å; E167-R175 IonicContact OE2-NE 2.74Å; E167-R175 IonicContact OE2-NH2 3.3Å; E167-R175 PolarHBondContact OE2-NH2 2.7Å
168R97.5Very high96.1Very high14 Ų1423.5 Ų23.55%0.05313%0.134CC..  trans-81.1160.1158.2-61.2179.4-174.3-159.11.1110.3H89 T92 K93 Q170 H171 M172H89-R168 PolarHBondContact O-NH2 2.91Å; T92-R168 PolarHBondContact O-NH2 2.79Å; T92-R168 WeakPolarHBondContact OG1-CG 3.5Å; T92-R168 PolarHBondContact OG1-NE 3.32Å; K93-R168 PolarHBondContact O-NE 3.44Å; R168-Q170 VanDerWaalsContact C-N 3.26Å; R168-Q170 PolarHBondContact O-N 3.37Å; R168-H171 WeakPolarHBondContact CB-ND1 3.47Å; R168-H171 PolarHBondContact N-ND1 3.16Å; R168-H171 WeakPolarHBondContact O-CB 3.49Å; R168-H171 PolarHBondContact O-N 3.12Å; R168-M172 PolarHBondContact O-N 3.09Å
169P97.3Very high96.2Very high0 Ų023.6 Ų23.60%014%0.135CC..Hα-helixtrans-53.5-41.8173.7-22.129.2000113D142 F145 F150 L153 H171 M172 L173D142-P169 WeakPolarHBondContact OD1-CB 3.22Å; D142-P169 WeakPolarHBondContact OD1-CD 3.38Å; D142-P169 WeakPolarHBondContact OD1-CG 3.46Å; F145-P169 HydrophobicContact CD2-CB 4.21Å; F145-P169 HydrophobicContact CD2-CG 4.35Å; F145-P169 HydrophobicContact CE2-CB 3.56Å; F145-P169 HydrophobicContact CE2-CG 4.19Å; F145-P169 HydrophobicContact CZ-CB 4.15Å; F150-P169 HydrophobicContact CD2-CG 4.31Å; F150-P169 HydrophobicContact CE2-CG 4.23Å; L153-P169 HydrophobicContact CD1-CB 4.09Å; L153-P169 HydrophobicContact CD1-CG 4.3Å; P169-H171 VanDerWaalsContact C-N 3.32Å; P169-H171 PolarHBondContact O-N 3.31Å; P169-M172 PolarHBondContact O-N 3.17Å; P169-L173 WeakPolarHBondContact O-CG 3.35Å; P169-L173 PolarHBondContact O-N 3.07Å
170Q98.1Very high96.4Very high0 Ų022.1 Ų22.10%013%0.128CC..Hα-helixtrans-62.9-34.5174.6-59.4-37.2-64.800113.9I137 Y139 D142 R168 L173 M174 Y192I137-Q170 HydrophobicContact CG2-CB 3.6Å; I137-Q170 HydrophobicContact CG2-CG 4.1Å; Y139-Q170 HydrophobicContact CD1-CB 4.42Å; Y139-Q170 HydrophobicContact CD1-CG 4.44Å; Y139-Q170 HydrophobicContact CE1-CB 4.42Å; D142-Q170 VanDerWaalsContact OD1-CG 3.25Å; D142-Q170 WeakPolarHBondContact OD1-CG 3.49Å; D142-Q170 PolarHBondContact OD1-N 3.02Å; D142-Q170 VanDerWaalsContact OD1-N 3.12Å; D142-Q170 PolarHBondContact OD1-NE2 3.4Å; R168-Q170 VanDerWaalsContact C-N 3.26Å; R168-Q170 PolarHBondContact O-N 3.37Å; Q170-L173 PolarHBondContact O-N 3.23Å; Q170-M174 PolarHBondContact O-N 3.05Å; Q170-Y192 HydrophobicContact CB-CE2 4.37Å; Q170-Y192 PolarHBondContact OE1-OH 2.96Å
171H98.3Very high96.5Very high0 Ų019 Ų190%011%0.114CC..Hα-helixtrans-65.3-44.9176.2-59.7151.4000111K93 K94 F96 Y139 E167 R168 P169 L173 M174 R175K93-H171 PolarHBondContact O-CE1 3.06Å; K94-H171 PolarHBondContact O-NE2 3Å; F96-H171 HydrophobicContact CD2-CB 3.93Å; F96-H171 AromaticContact CD2-CD2 3.89Å; F96-H171 HydrophobicContact CE2-CB 4.45Å; F96-H171 WeakPolarHBondContact CE2-O 3.14Å; Y139-H171 AromaticContact CE1-CD2 3.86Å; Y139-H171 AromaticContact CE1-NE2 3.38Å; Y139-H171 WeakPolarHBondContact CE1-NE2 3.2Å; Y139-H171 AromaticContact CZ-NE2 3.66Å; Y139-H171 PolarHBondContact OH-NE2 3.2Å; Y139-H171 VanDerWaalsContact OH-NE2 3.12Å; E167-H171 HydrophobicContact CB-CB 4.17Å; E167-H171 HydrophobicContact CG-CB 4.4Å; R168-H171 WeakPolarHBondContact CB-ND1 3.47Å; R168-H171 PolarHBondContact N-ND1 3.16Å; R168-H171 WeakPolarHBondContact O-CB 3.49Å; R168-H171 PolarHBondContact O-N 3.12Å; P169-H171 VanDerWaalsContact C-N 3.32Å; P169-H171 PolarHBondContact O-N 3.31Å; H171-L173 VanDerWaalsContact C-N 3.34Å; H171-L173 PolarHBondContact O-N 3.26Å; H171-M174 PolarHBondContact O-N 3.12Å; H171-R175 WeakPolarHBondContact O-CB 3.23Å; H171-R175 PolarHBondContact O-N 3.17Å
172M97.9Very high96.6Very high4 Ų421.5 Ų21.52%0.0213%0.125CC..Hα-helixtrans-58.8-46.4175.1177.1-81.8-65.400111L153 L158 R168 P169 M174 R175 V176 L207L153-M172 HydrophobicContact CD2-CE 3.87Å; L158-M172 HydrophobicContact CD2-CB 3.92Å; R168-M172 PolarHBondContact O-N 3.09Å; P169-M172 PolarHBondContact O-N 3.17Å; M172-M174 PolarHBondContact O-N 3.22Å; M172-R175 PolarHBondContact O-N 2.88Å; M172-V176 VanDerWaalsContact O-CG2 3.24Å; M172-V176 WeakPolarHBondContact O-CG2 3.43Å; M172-V176 PolarHBondContact O-N 3.37Å; M172-V176 HydrophobicContact SD-CG2 3.86Å; M172-L207 HydrophobicContact SD-CB 4.35Å; M172-L207 HydrophobicContact SD-CD2 4.06Å
173L98.2Very high96.9Very high7 Ų725 Ų254%0.03713%0.13CC..Hα-helixtrans-63.4-42.3179.5-67.5177.9000112.4P169 Q170 H171 V176 S177 Y192 M195P169-L173 WeakPolarHBondContact O-CG 3.35Å; P169-L173 PolarHBondContact O-N 3.07Å; Q170-L173 PolarHBondContact O-N 3.23Å; H171-L173 VanDerWaalsContact C-N 3.34Å; H171-L173 PolarHBondContact O-N 3.26Å; L173-V176 PolarHBondContact O-N 3.08Å; L173-S177 PolarHBondContact O-N 3.48Å; L173-S177 PolarHBondContact O-OG 3.2Å; L173-S177 VanDerWaalsContact O-OG 3.11Å; L173-Y192 HydrophobicContact CB-CD2 4.08Å; L173-Y192 HydrophobicContact CB-CE2 4.33Å; L173-M195 HydrophobicContact CD2-CB 4.06Å; L173-M195 HydrophobicContact CD2-CE 4.33Å; L173-M195 HydrophobicContact CD2-SD 4.4Å
174M98.4Very high97.2Very high0 Ų025.1 Ų25.10%012%0.115CC..Hα-helixtrans-67.5-41176.8-172.459.877.900111.7F96 L133 A136 I137 Q170 H171 M172 V176 S177 V178 Y192F96-M174 HydrophobicContact CD1-CG 4.04Å; F96-M174 HydrophobicContact CD2-CB 4.31Å; F96-M174 HydrophobicContact CE1-CB 4.33Å; F96-M174 HydrophobicContact CE1-CG 3.64Å; F96-M174 HydrophobicContact CE2-CB 3.96Å; F96-M174 HydrophobicContact CE2-CG 4.18Å; F96-M174 HydrophobicContact CG-CG 4.48Å; F96-M174 HydrophobicContact CZ-CB 3.97Å; F96-M174 HydrophobicContact CZ-CG 3.71Å; L133-M174 HydrophobicContact CD2-SD 3.85Å; A136-M174 HydrophobicContact CB-CE 4.1Å; I137-M174 HydrophobicContact CD1-CB 3.98Å; I137-M174 HydrophobicContact CD1-CE 4.36Å; I137-M174 HydrophobicContact CD1-CG 4.1Å; I137-M174 HydrophobicContact CG1-CB 4.3Å; I137-M174 HydrophobicContact CG1-CE 3.68Å; I137-M174 HydrophobicContact CG1-CG 4.41Å; Q170-M174 PolarHBondContact O-N 3.05Å; H171-M174 PolarHBondContact O-N 3.12Å; M172-M174 PolarHBondContact O-N 3.22Å; M174-V176 VanDerWaalsContact C-N 3.3Å; M174-V176 PolarHBondContact O-N 2.87Å; M174-S177 PolarHBondContact O-N 3.26Å; M174-V178 HydrophobicContact CG-CG2 4.38Å; M174-V178 WeakPolarHBondContact O-CG2 3.46Å; M174-V178 PolarHBondContact O-N 2.93Å; M174-V178 HydrophobicContact SD-CG2 4.25Å; M174-Y192 HydrophobicContact CB-CD2 4.03Å; M174-Y192 HydrophobicContact CB-CE2 4.43Å; M174-Y192 HydrophobicContact CE-CD1 3.54Å; M174-Y192 HydrophobicContact CE-CD2 3.68Å; M174-Y192 HydrophobicContact CE-CE1 4.03Å; M174-Y192 HydrophobicContact CE-CE2 4.15Å; M174-Y192 HydrophobicContact CE-CG 3.37Å; M174-Y192 HydrophobicContact SD-CD2 4.28Å; M174-Y192 HydrophobicContact SD-CG 4.08Å
175R98.2Very high97.4Very high0 Ų020.5 Ų20.50%010%0.096CC..Hα-helixtrans-57-45.2172.2172.2174.754.277-5.3111.2F96 I100 I118 E167 H171 M172 V178 G179 L207 S210F96-R175 HydrophobicContact CE2-CB 4.23Å; F96-R175 HydrophobicContact CZ-CB 4.45Å; I100-R175 HydrophobicContact CD1-CB 4.34Å; I118-R175 HydrophobicContact CD1-CG 4.44Å; E167-R175 IonicContact OE1-CZ 3.17Å; E167-R175 IonicContact OE1-NE 2.85Å; E167-R175 PolarHBondContact OE1-NE 3.04Å; E167-R175 IonicContact OE1-NH2 2.76Å; E167-R175 PolarHBondContact OE1-NH2 2.89Å; E167-R175 IonicContact OE2-CZ 3.76Å; E167-R175 IonicContact OE2-NE 2.74Å; E167-R175 IonicContact OE2-NH2 3.3Å; E167-R175 PolarHBondContact OE2-NH2 2.7Å; H171-R175 WeakPolarHBondContact O-CB 3.23Å; H171-R175 PolarHBondContact O-N 3.17Å; M172-R175 PolarHBondContact O-N 2.88Å; R175-V178 PolarHBondContact O-N 3.38Å; R175-G179 PolarHBondContact O-N 3.32Å; R175-L207 PolarHBondContact NH1-O 3.32Å; R175-S210 WeakPolarHBondContact CG-O 3.2Å; R175-S210 PolarHBondContact NH1-O 3.11Å
176V97.8Very high97.6Very high0 Ų024.9 Ų24.90%012%0.115CC..Hα-helixtrans-61.7-46.4178.1170.80000110.9M172 L173 M174 G179 I180 M195 T206 L207 S210M172-V176 VanDerWaalsContact O-CG2 3.24Å; M172-V176 WeakPolarHBondContact O-CG2 3.43Å; M172-V176 PolarHBondContact O-N 3.37Å; M172-V176 HydrophobicContact SD-CG2 3.86Å; L173-V176 PolarHBondContact O-N 3.08Å; M174-V176 VanDerWaalsContact C-N 3.3Å; M174-V176 PolarHBondContact O-N 2.87Å; V176-G179 PolarHBondContact O-N 3.43Å; V176-I180 HydrophobicContact CG1-CD1 3.92Å; V176-I180 WeakPolarHBondContact O-CG1 3.49Å; V176-I180 PolarHBondContact O-N 2.75Å; V176-I180 VanDerWaalsContact O-N 3.08Å; V176-M195 HydrophobicContact CB-CE 4.37Å; V176-M195 HydrophobicContact CG1-CE 4.11Å; V176-M195 HydrophobicContact CG1-SD 4.34Å; V176-T206 HydrophobicContact CG1-CG2 4.34Å; V176-L207 HydrophobicContact CG1-CD2 4.38Å; V176-L207 HydrophobicContact CG2-CD2 4.18Å; V176-S210 PolarHBondContact O-OG 3.3Å
177S98.3Very high97.6Very high0 Ų024.8 Ų24.80%011%0.114CC..Hα-helixtrans-60-50.1177.2-64.10000112.6L173 M174 G179 I180 H181 A188 Y192 M195L173-S177 PolarHBondContact O-N 3.48Å; L173-S177 PolarHBondContact O-OG 3.2Å; L173-S177 VanDerWaalsContact O-OG 3.11Å; M174-S177 PolarHBondContact O-N 3.26Å; S177-G179 VanDerWaalsContact C-N 3.3Å; S177-G179 PolarHBondContact O-N 2.86Å; S177-I180 PolarHBondContact O-N 3.34Å; S177-H181 WeakPolarHBondContact O-CB 3.37Å; S177-H181 PolarHBondContact O-CD2 3.25Å; S177-H181 PolarHBondContact O-N 3.11Å; S177-A188 WeakPolarHBondContact CB-O 3.45Å; S177-A188 PolarHBondContact OG-O 2.86Å; S177-Y192 VanDerWaalsContact OG-CA 3.24Å; S177-Y192 WeakPolarHBondContact OG-CA 3.28Å; S177-Y192 WeakPolarHBondContact OG-CB 3.4Å; S177-Y192 PolarHBondContact OG-N 3.23Å; S177-Y192 VanDerWaalsContact OG-N 3.08Å; S177-M195 WeakPolarHBondContact OG-CE 3.36Å
178V97.9Very high97.6Very high0 Ų024.8 Ų24.80%011%0.114CC..Hα-helixtrans-66.1-35.3178.8179.60000110.9I122 I125 I126 L133 M174 R175 I180 Q182 A188I122-V178 HydrophobicContact CG2-CG1 4.29Å; I125-V178 HydrophobicContact CG2-CG1 3.98Å; I126-V178 HydrophobicContact CD1-CG1 4.28Å; I126-V178 HydrophobicContact CG1-CB 4.36Å; I126-V178 HydrophobicContact CG1-CG1 3.8Å; I126-V178 HydrophobicContact CG1-CG2 4.45Å; L133-V178 HydrophobicContact CD1-CG2 4.07Å; L133-V178 HydrophobicContact CD2-CG2 3.97Å; M174-V178 HydrophobicContact CG-CG2 4.38Å; M174-V178 WeakPolarHBondContact O-CG2 3.46Å; M174-V178 PolarHBondContact O-N 2.93Å; M174-V178 HydrophobicContact SD-CG2 4.25Å; R175-V178 PolarHBondContact O-N 3.38Å; V178-I180 VanDerWaalsContact C-N 3.32Å; V178-I180 PolarHBondContact O-N 3.07Å; V178-Q182 WeakPolarHBondContact O-CA 3.24Å; V178-Q182 PolarHBondContact O-N 3.01Å; V178-A188 HydrophobicContact CG2-CB 4.33Å
179G97.3Very high97.7Very high6 Ų625.2 Ų25.26%0.06212%0.117CC..Hα-helixtrans-63.1-34.5175.500000113.8R175 V176 S177 S210R175-G179 PolarHBondContact O-N 3.32Å; V176-G179 PolarHBondContact O-N 3.43Å; S177-G179 VanDerWaalsContact C-N 3.3Å; S177-G179 PolarHBondContact O-N 2.86Å; G179-S210 WeakPolarHBondContact CA-OG 3.43Å
180I97.6Very high97.7Very high3 Ų329.8 Ų29.82%0.01514%0.139CC..Hα-helixtrans-79.8-45.6177.5-66.3168.2000111.5V176 S177 V178 H202 T206 N482 K485 V486V176-I180 HydrophobicContact CG1-CD1 3.92Å; V176-I180 WeakPolarHBondContact O-CG1 3.49Å; V176-I180 PolarHBondContact O-N 2.75Å; V176-I180 VanDerWaalsContact O-N 3.08Å; S177-I180 PolarHBondContact O-N 3.34Å; V178-I180 VanDerWaalsContact C-N 3.32Å; V178-I180 PolarHBondContact O-N 3.07Å; I180-H202 WeakPolarHBondContact CD1-NE2 3.48Å; I180-T206 HydrophobicContact CD1-CG2 4Å; I180-T206 HydrophobicContact CG1-CG2 4.45Å; I180-N482 HydrophobicContact CG2-CB 4.24Å; I180-K485 HydrophobicContact CG2-CB 4.06Å; I180-V486 HydrophobicContact CD1-CG2 4.19Å; I180-V486 HydrophobicContact CG1-CG2 3.96Å; I180-V486 HydrophobicContact CG2-CG2 4.26Å
181H97.8Very high97.8Very high9 Ų929.8 Ų29.84%0.04214%0.139CC..Hα-helixtrans-93.8-14.7-170.4-67-95.4000113.7S177 R183 D184 A187 A188 T191 N482 K485S177-H181 WeakPolarHBondContact O-CB 3.37Å; S177-H181 PolarHBondContact O-CD2 3.25Å; S177-H181 PolarHBondContact O-N 3.11Å; H181-R183 PolarHBondContact O-N 2.83Å; H181-D184 HydrophobicContact CB-CB 4.37Å; H181-D184 WeakPolarHBondContact CB-O 3.37Å; H181-D184 WeakPolarHBondContact O-CB 3.37Å; H181-D184 PolarHBondContact O-N 2.91Å; H181-A187 WeakPolarHBondContact ND1-CB 3.47Å; H181-A188 HydrophobicContact CB-CB 3.89Å; H181-T191 PolarHBondContact CE1-OG1 2.93Å; H181-T191 WeakPolarHBondContact NE2-CB 3.39Å; H181-T191 PolarHBondContact NE2-OG1 3.03Å; H181-N482 PolarHBondContact CE1-OD1 3.1Å; H181-N482 PolarHBondContact NE2-OD1 3.18Å; H181-K485 PolarHBondContact ND1-NZ 2.69Å
182Q95.9Very high97.8Very high90 Ų9029.8 Ų29.842%0.42114%0.139SC..THydrogen-bonded Turntrans50.5-116.2-179.4-56.5-178.914.400111.6I122 I125 V178 D184I122-Q182 HydrophobicContact CD1-CG 4.24Å; I125-Q182 HydrophobicContact CD1-CB 4.08Å; V178-Q182 WeakPolarHBondContact O-CA 3.24Å; V178-Q182 PolarHBondContact O-N 3.01Å; Q182-D184 VanDerWaalsContact C-N 3.25Å; Q182-D184 PolarHBondContact O-N 3.3Å
183R96.7Very high97.8Very high181 Ų18131.9 Ų31.968%0.68315%0.15SC*.THydrogen-bonded Turntrans-73.3-11.5-178-69-177.6172.1-117-9.1114.2I125 H181 I185I125-R183 HydrophobicContact CD1-CG 3.92Å; I125-R183 HydrophobicContact CG1-CG 4.11Å; H181-R183 PolarHBondContact O-N 2.83Å; R183-I185 VanDerWaalsContact C-N 3.32Å; R183-I185 PolarHBondContact O-N 2.75Å
184D96.7Very high97.8Very high67 Ų6732.2 Ų32.236%0.35815%0.152SC..  trans-82.777.5177.4-176.1-1.3000110.4H181 Q182 E186 A187 A188 K485H181-D184 HydrophobicContact CB-CB 4.37Å; H181-D184 WeakPolarHBondContact CB-O 3.37Å; H181-D184 WeakPolarHBondContact O-CB 3.37Å; H181-D184 PolarHBondContact O-N 2.91Å; Q182-D184 VanDerWaalsContact C-N 3.25Å; Q182-D184 PolarHBondContact O-N 3.3Å; D184-E186 VanDerWaalsContact C-N 3.32Å; D184-E186 PolarHBondContact O-N 3.39Å; D184-A187 HydrophobicContact CB-CB 4.47Å; D184-A187 VanDerWaalsContact CG-CB 3.46Å; D184-A187 PolarHBondContact O-N 3.24Å; D184-A187 WeakPolarHBondContact OD1-CB 3.48Å; D184-A187 PolarHBondContact OD1-N 2.81Å; D184-A187 VanDerWaalsContact OD2-CB 3.28Å; D184-A187 WeakPolarHBondContact OD2-CB 3.43Å; D184-A188 PolarHBondContact O-N 2.9Å; D184-K485 IonicContact OD2-NZ 3.59Å; D184-K485 PolarHBondContact OD2-NZ 3.1Å
185I97.5Very high97.8Very high13 Ų1332.4 Ų32.47%0.06715%0.153CC..Hα-helixtrans-66.6-31.7-173.3-57-57.4000112.4I125 N129 L133 R183 A188 I189I125-I185 HydrophobicContact CG2-CD1 4.01Å; N129-I185 HydrophobicContact CB-CD1 4.25Å; N129-I185 HydrophobicContact CB-CG1 4.36Å; L133-I185 HydrophobicContact CD2-CG2 4.04Å; R183-I185 VanDerWaalsContact C-N 3.32Å; R183-I185 PolarHBondContact O-N 2.75Å; I185-A188 WeakPolarHBondContact O-CB 3.32Å; I185-A188 PolarHBondContact O-N 3.27Å; I185-I189 HydrophobicContact CG2-CD1 3.86Å; I185-I189 HydrophobicContact CG2-CG1 4.35Å; I185-I189 VanDerWaalsContact O-CG1 3.31Å; I185-I189 WeakPolarHBondContact O-CG1 3.28Å; I185-I189 PolarHBondContact O-N 3.06Å
186E97.5Very high97.8Very high112 Ų11232.5 Ų32.552%0.52315%0.153SC..Hα-helixtrans-61.7-51.6176-61.5-58.1155.500110.8R132 D184 A188 I189 E190R132-E186 IonicContact CZ-OE1 2.75Å; R132-E186 IonicContact CZ-OE2 3.71Å; R132-E186 IonicContact NH1-OE1 3.74Å; R132-E186 PolarHBondContact NH1-OE1 3.33Å; R132-E186 IonicContact NH2-OE1 2.86Å; R132-E186 PolarHBondContact NH2-OE1 2.65Å; R132-E186 IonicContact NH2-OE2 2.83Å; R132-E186 PolarHBondContact NH2-OE2 3.07Å; D184-E186 VanDerWaalsContact C-N 3.32Å; D184-E186 PolarHBondContact O-N 3.39Å; E186-A188 VanDerWaalsContact C-N 3.29Å; E186-A188 PolarHBondContact O-N 2.91Å; E186-I189 PolarHBondContact O-N 2.92Å; E186-E190 PolarHBondContact O-N 3.45Å
187A97.6Very high97.7Very high14 Ų1435.9 Ų35.912%0.11617%0.169CC..Hα-helixtrans-68.7-30.5179.400000111.8H181 D184 E190 T191H181-A187 WeakPolarHBondContact ND1-CB 3.47Å; D184-A187 HydrophobicContact CB-CB 4.47Å; D184-A187 VanDerWaalsContact CG-CB 3.46Å; D184-A187 PolarHBondContact O-N 3.24Å; D184-A187 WeakPolarHBondContact OD1-CB 3.48Å; D184-A187 PolarHBondContact OD1-N 2.81Å; D184-A187 VanDerWaalsContact OD2-CB 3.28Å; D184-A187 WeakPolarHBondContact OD2-CB 3.43Å; A187-E190 PolarHBondContact O-N 3.35Å; A187-T191 WeakPolarHBondContact O-CB 3.44Å; A187-T191 PolarHBondContact O-N 2.95Å; A187-T191 PolarHBondContact O-OG1 3.36Å
188A98.2Very high97.7Very high0 Ų037.1 Ų37.10%017%0.174CC..Hα-helixtrans-61.1-44.8171.100000111.7S177 V178 H181 D184 I185 E186 Y192S177-A188 WeakPolarHBondContact CB-O 3.45Å; S177-A188 PolarHBondContact OG-O 2.86Å; V178-A188 HydrophobicContact CG2-CB 4.33Å; H181-A188 HydrophobicContact CB-CB 3.89Å; D184-A188 PolarHBondContact O-N 2.9Å; I185-A188 WeakPolarHBondContact O-CB 3.32Å; I185-A188 PolarHBondContact O-N 3.27Å; E186-A188 VanDerWaalsContact C-N 3.29Å; E186-A188 PolarHBondContact O-N 2.91Å; A188-Y192 VanDerWaalsContact O-CB 3.27Å; A188-Y192 WeakPolarHBondContact O-CB 3.15Å; A188-Y192 PolarHBondContact O-N 3.4Å
189I98.4Very high97.7Very high24 Ų2439 Ų3912%0.12318%0.181CC..Hα-helixtrans-68.2-40.3178.6-69.3168.6000111R132 A136 I185 E186 Y192 N193R132-I189 HydrophobicContact CG-CD1 4.1Å; A136-I189 HydrophobicContact CB-CD1 4.18Å; A136-I189 HydrophobicContact CB-CG1 4.11Å; A136-I189 HydrophobicContact CB-CG2 4.32Å; I185-I189 HydrophobicContact CG2-CD1 3.86Å; I185-I189 HydrophobicContact CG2-CG1 4.35Å; I185-I189 VanDerWaalsContact O-CG1 3.31Å; I185-I189 WeakPolarHBondContact O-CG1 3.28Å; I185-I189 PolarHBondContact O-N 3.06Å; E186-I189 PolarHBondContact O-N 2.92Å; I189-Y192 PolarHBondContact O-N 3.22Å; I189-N193 WeakPolarHBondContact O-CB 3.33Å; I189-N193 PolarHBondContact O-N 3.48Å; I189-N193 PolarHBondContact O-ND2 3.39Å; I189-N193 VanDerWaalsContact O-ND2 3.1Å
190E98.5Very high97.7Very high96 Ų9638.7 Ų38.745%0.44918%0.179SC..Hα-helixtrans-57.6-53.1173.7-179.1180-134.500111.1E186 A187 Y192 N193 L194 V478E186-E190 PolarHBondContact O-N 3.45Å; A187-E190 PolarHBondContact O-N 3.35Å; E190-Y192 VanDerWaalsContact C-N 3.33Å; E190-Y192 PolarHBondContact O-N 3.17Å; E190-N193 PolarHBondContact O-N 3.32Å; E190-L194 HydrophobicContact CG-CD1 4.26Å; E190-L194 WeakPolarHBondContact O-CG 3.47Å; E190-L194 PolarHBondContact O-N 2.58Å; E190-V478 HydrophobicContact CG-CG2 4.42Å
191T98.5Very high97.8Very high0 Ų038.9 Ų38.90%018%0.18CC..Hα-helixtrans-60.7-41.4177.7-72.90000112H181 A187 L194 M195 F200 N482H181-T191 PolarHBondContact CE1-OG1 2.93Å; H181-T191 WeakPolarHBondContact NE2-CB 3.39Å; H181-T191 PolarHBondContact NE2-OG1 3.03Å; A187-T191 WeakPolarHBondContact O-CB 3.44Å; A187-T191 PolarHBondContact O-N 2.95Å; A187-T191 PolarHBondContact O-OG1 3.36Å; T191-L194 PolarHBondContact O-N 3.37Å; T191-M195 HydrophobicContact CG2-CE 3.68Å; T191-M195 HydrophobicContact CG2-CG 4.47Å; T191-M195 HydrophobicContact CG2-SD 4.24Å; T191-M195 WeakPolarHBondContact O-CB 3.42Å; T191-M195 WeakPolarHBondContact O-CG 3.45Å; T191-M195 PolarHBondContact O-N 3.1Å; T191-F200 HydrophobicContact CG2-CZ 4.22Å; T191-N482 VanDerWaalsContact CG2-ND2 3.27Å; T191-N482 WeakPolarHBondContact CG2-ND2 3.17Å; T191-N482 PolarHBondContact OG1-ND2 3.34Å; T191-N482 PolarHBondContact OG1-OD1 2.98Å
192Y98.5Very high97.8Very high0 Ų038.5 Ų38.50%018%0.178CC..Hα-helixtrans-60-47.3175.3161-96.3000111.4A136 I137 V138 Q170 L173 M174 S177 A188 I189 E190 L194 M195 S196A136-Y192 VanDerWaalsContact O-CE1 3.32Å; A136-Y192 WeakPolarHBondContact O-CE1 3.38Å; I137-Y192 WeakPolarHBondContact CA-OH 3.46Å; I137-Y192 HydrophobicContact CG1-CE2 4.25Å; V138-Y192 PolarHBondContact N-OH 3.3Å; Q170-Y192 HydrophobicContact CB-CE2 4.37Å; Q170-Y192 PolarHBondContact OE1-OH 2.96Å; L173-Y192 HydrophobicContact CB-CD2 4.08Å; L173-Y192 HydrophobicContact CB-CE2 4.33Å; M174-Y192 HydrophobicContact CB-CD2 4.03Å; M174-Y192 HydrophobicContact CB-CE2 4.43Å; M174-Y192 HydrophobicContact CE-CD1 3.54Å; M174-Y192 HydrophobicContact CE-CD2 3.68Å; M174-Y192 HydrophobicContact CE-CE1 4.03Å; M174-Y192 HydrophobicContact CE-CE2 4.15Å; M174-Y192 HydrophobicContact CE-CG 3.37Å; M174-Y192 HydrophobicContact SD-CD2 4.28Å; M174-Y192 HydrophobicContact SD-CG 4.08Å; S177-Y192 VanDerWaalsContact OG-CA 3.24Å; S177-Y192 WeakPolarHBondContact OG-CA 3.28Å; S177-Y192 WeakPolarHBondContact OG-CB 3.4Å; S177-Y192 PolarHBondContact OG-N 3.23Å; S177-Y192 VanDerWaalsContact OG-N 3.08Å; A188-Y192 VanDerWaalsContact O-CB 3.27Å; A188-Y192 WeakPolarHBondContact O-CB 3.15Å; A188-Y192 PolarHBondContact O-N 3.4Å; I189-Y192 PolarHBondContact O-N 3.22Å; E190-Y192 VanDerWaalsContact C-N 3.33Å; E190-Y192 PolarHBondContact O-N 3.17Å; Y192-L194 PolarHBondContact O-N 2.84Å; Y192-M195 PolarHBondContact O-N 3.32Å; Y192-S196 VanDerWaalsContact O-CB 3.24Å; Y192-S196 WeakPolarHBondContact O-CB 3.4Å; Y192-S196 PolarHBondContact O-N 3.08Å; Y192-S196 PolarHBondContact O-OG 3.38Å
193N98.5Very high97.6Very high47 Ų4734.9 Ų34.925%0.25116%0.163SC..Hα-helixtrans-61.5-47179.5-79.7-44.2000110.9R141 I189 E190 M195 S196 E197R141-N193 PolarHBondContact NH1-OD1 3.4Å; R141-N193 PolarHBondContact NH2-OD1 2.73Å; I189-N193 WeakPolarHBondContact O-CB 3.33Å; I189-N193 PolarHBondContact O-N 3.48Å; I189-N193 PolarHBondContact O-ND2 3.39Å; I189-N193 VanDerWaalsContact O-ND2 3.1Å; E190-N193 PolarHBondContact O-N 3.32Å; N193-M195 PolarHBondContact O-N 3.01Å; N193-S196 PolarHBondContact O-N 3.38Å; N193-S196 PolarHBondContact O-OG 3.21Å; N193-E197 VanDerWaalsContact O-CB 3.31Å; N193-E197 WeakPolarHBondContact O-CB 3.5Å; N193-E197 VanDerWaalsContact O-CG 3.3Å; N193-E197 WeakPolarHBondContact O-CG 3.37Å; N193-E197 PolarHBondContact O-N 3.42Å
194L98.3Very high97.4Very high14 Ų1426.7 Ų26.77%0.07313%0.134CC..Hα-helixtrans-64.1-41.2-179.4-68.3177.5000112.9E190 T191 Y192 K198 W199 F200 V475 V478E190-L194 HydrophobicContact CG-CD1 4.26Å; E190-L194 WeakPolarHBondContact O-CG 3.47Å; E190-L194 PolarHBondContact O-N 2.58Å; T191-L194 PolarHBondContact O-N 3.37Å; Y192-L194 PolarHBondContact O-N 2.84Å; L194-K198 PolarHBondContact O-N 2.86Å; L194-W199 HydrophobicContact CD2-CB 4.45Å; L194-W199 HydrophobicContact CD2-CG 4.14Å; L194-W199 WeakPolarHBondContact O-CB 3.32Å; L194-W199 PolarHBondContact O-N 2.83Å; L194-F200 HydrophobicContact CB-CD1 3.96Å; L194-F200 HydrophobicContact CB-CE1 3.47Å; L194-F200 VanDerWaalsContact CB-CE1 3.47Å; L194-F200 HydrophobicContact CD1-CE1 4.02Å; L194-F200 HydrophobicContact CG-CE1 4.42Å; L194-V475 HydrophobicContact CD2-CG2 4.17Å; L194-V478 HydrophobicContact CD1-CB 3.95Å; L194-V478 HydrophobicContact CD1-CG1 3.89Å; L194-V478 HydrophobicContact CD1-CG2 3.88Å
195M98.2Very high97.1Very high5 Ų523.7 Ų23.73%0.02512%0.118CC..Hα-helixtrans-70.4-42.7176.4-70.2-170.1-59.300112.6L173 V176 S177 T191 Y192 N193 E197 K198 F200L173-M195 HydrophobicContact CD2-CB 4.06Å; L173-M195 HydrophobicContact CD2-CE 4.33Å; L173-M195 HydrophobicContact CD2-SD 4.4Å; V176-M195 HydrophobicContact CB-CE 4.37Å; V176-M195 HydrophobicContact CG1-CE 4.11Å; V176-M195 HydrophobicContact CG1-SD 4.34Å; S177-M195 WeakPolarHBondContact OG-CE 3.36Å; T191-M195 HydrophobicContact CG2-CE 3.68Å; T191-M195 HydrophobicContact CG2-CG 4.47Å; T191-M195 HydrophobicContact CG2-SD 4.24Å; T191-M195 WeakPolarHBondContact O-CB 3.42Å; T191-M195 WeakPolarHBondContact O-CG 3.45Å; T191-M195 PolarHBondContact O-N 3.1Å; Y192-M195 PolarHBondContact O-N 3.32Å; N193-M195 PolarHBondContact O-N 3.01Å; M195-E197 VanDerWaalsContact C-N 3.3Å; M195-E197 PolarHBondContact O-N 3.09Å; M195-K198 WeakPolarHBondContact O-CA 3.45Å; M195-K198 PolarHBondContact O-N 3.24Å; M195-F200 HydrophobicContact CG-CD2 4.3Å; M195-F200 HydrophobicContact CG-CE1 4.22Å; M195-F200 HydrophobicContact CG-CE2 3.75Å; M195-F200 HydrophobicContact CG-CZ 3.71Å; M195-F200 HydrophobicContact SD-CE2 4.28Å
196S97.6Very high96.9Very high1 Ų123 Ų231%0.00712%0.115CC..Hα-helixtrans-70.1-26.2-178.9590000113.1R141 Y192 N193 K198R141-S196 WeakPolarHBondContact CD-OG 3.49Å; R141-S196 PolarHBondContact NH1-OG 2.94Å; Y192-S196 VanDerWaalsContact O-CB 3.24Å; Y192-S196 WeakPolarHBondContact O-CB 3.4Å; Y192-S196 PolarHBondContact O-N 3.08Å; Y192-S196 PolarHBondContact O-OG 3.38Å; N193-S196 PolarHBondContact O-N 3.38Å; N193-S196 PolarHBondContact O-OG 3.21Å; S196-K198 VanDerWaalsContact C-N 3.26Å
197E97.1Very high96.8Very high71 Ų7117.8 Ų17.833%0.3329%0.09SC..THydrogen-bonded Turntrans-84.50.8168.9-68.2176.4-179.300113.6R141 N193 M195 W199 K458R141-E197 IonicContact CZ-OE1 2.69Å; R141-E197 IonicContact NE-OE1 3.13Å; R141-E197 IonicContact NH2-OE1 3.77Å; R141-E197 PolarHBondContact NH2-OE1 3.39Å; N193-E197 VanDerWaalsContact O-CB 3.31Å; N193-E197 WeakPolarHBondContact O-CB 3.5Å; N193-E197 VanDerWaalsContact O-CG 3.3Å; N193-E197 WeakPolarHBondContact O-CG 3.37Å; N193-E197 PolarHBondContact O-N 3.42Å; M195-E197 VanDerWaalsContact C-N 3.3Å; M195-E197 PolarHBondContact O-N 3.09Å; E197-W199 PolarHBondContact OE2-NE1 3.06Å; E197-K458 WeakPolarHBondContact O-CE 3.31Å; E197-K458 PolarHBondContact O-NZ 3.15Å
198K97Very high96.4Very high27 Ų2718.5 Ų18.512%0.1179%0.091CC..THydrogen-bonded Turntrans66.226.9176.1-50.2-175.6179-176.70115.4N144 L194 M195 S196 F200 S455 L617N144-K198 WeakPolarHBondContact O-CE 3.18Å; N144-K198 PolarHBondContact O-NZ 2.9Å; L194-K198 PolarHBondContact O-N 2.86Å; M195-K198 WeakPolarHBondContact O-CA 3.45Å; M195-K198 PolarHBondContact O-N 3.24Å; S196-K198 VanDerWaalsContact C-N 3.26Å; K198-F200 VanDerWaalsContact C-N 3.31Å; K198-S455 WeakPolarHBondContact O-CB 3.37Å; K198-L617 HydrophobicContact CB-CD2 4.08Å; K198-L617 HydrophobicContact CD-CD2 4.2Å; K198-L617 HydrophobicContact CG-CD2 4Å; K198-L617 PolarHBondContact NZ-O 2.96Å
199W98.2Very high96.1Very high39 Ų3920.2 Ų20.215%0.14810%0.1CC..SBendtrans-65.4-36.9175.4-65.799.9000112L194 E197 S455 K458 F459 K471 V475L194-W199 HydrophobicContact CD2-CB 4.45Å; L194-W199 HydrophobicContact CD2-CG 4.14Å; L194-W199 WeakPolarHBondContact O-CB 3.32Å; L194-W199 PolarHBondContact O-N 2.83Å; E197-W199 PolarHBondContact OE2-NE1 3.06Å; W199-S455 PolarHBondContact O-N 3.13Å; W199-K458 HydrophobicContact CE3-CB 3.81Å; W199-K458 HydrophobicContact CZ3-CB 3.96Å; W199-K458 VanDerWaalsContact CZ3-O 3.29Å; W199-K458 WeakPolarHBondContact CZ3-O 3.36Å; W199-F459 HydrophobicContact CE3-CD1 4.11Å; W199-F459 AromaticContact CE3-CE1 3.66Å; W199-F459 HydrophobicContact CE3-CE1 3.66Å; W199-F459 HydrophobicContact CE3-CE2 4.35Å; W199-F459 AromaticContact CE3-CZ 3.8Å; W199-F459 HydrophobicContact CE3-CZ 3.8Å; W199-F459 AromaticContact CZ3-CD1 3.91Å; W199-F459 HydrophobicContact CZ3-CD1 3.91Å; W199-F459 AromaticContact CZ3-CE1 3.91Å; W199-F459 HydrophobicContact CZ3-CE1 3.91Å; W199-F459 HydrophobicContact CZ3-CG 4.43Å; W199-F459 HydrophobicContact CZ3-CZ 4.43Å; W199-K471 HydrophobicContact CE3-CG 4.4Å; W199-K471 HydrophobicContact CH2-CG 4.14Å; W199-K471 HydrophobicContact CZ3-CG 3.91Å; W199-V475 HydrophobicContact CB-CG1 4.21Å; W199-V475 HydrophobicContact CB-CG2 4.25Å; W199-V475 HydrophobicContact CG-CG2 4.48Å
200F98.5Very high96Very high0 Ų019.1 Ų19.10%010%0.095CC..EExtended strand (participates in β ladder)trans-152.1173.6173.975.7-88000110.6T191 L194 M195 K198 H202 S453 V475 I479T191-F200 HydrophobicContact CG2-CZ 4.22Å; L194-F200 HydrophobicContact CB-CD1 3.96Å; L194-F200 HydrophobicContact CB-CE1 3.47Å; L194-F200 VanDerWaalsContact CB-CE1 3.47Å; L194-F200 HydrophobicContact CD1-CE1 4.02Å; L194-F200 HydrophobicContact CG-CE1 4.42Å; M195-F200 HydrophobicContact CG-CD2 4.3Å; M195-F200 HydrophobicContact CG-CE1 4.22Å; M195-F200 HydrophobicContact CG-CE2 3.75Å; M195-F200 HydrophobicContact CG-CZ 3.71Å; M195-F200 HydrophobicContact SD-CE2 4.28Å; K198-F200 VanDerWaalsContact C-N 3.31Å; F200-H202 AromaticContact CE2-CD2 3.86Å; F200-H202 AromaticContact CE2-NE2 3.65Å; F200-S453 WeakPolarHBondContact CA-O 3.47Å; F200-S453 WeakPolarHBondContact CB-O 3.4Å; F200-V475 HydrophobicContact CB-CG1 4.41Å; F200-V475 HydrophobicContact CD1-CG1 3.84Å; F200-I479 HydrophobicContact CB-CD1 3.58Å; F200-I479 HydrophobicContact CB-CG1 4.21Å; F200-I479 HydrophobicContact CD1-CD1 4.13Å; F200-I479 HydrophobicContact CD1-CG1 3.93Å; F200-I479 HydrophobicContact CD2-CD1 3.99Å; F200-I479 HydrophobicContact CD2-CG1 3.7Å; F200-I479 HydrophobicContact CE1-CG1 4.16Å; F200-I479 HydrophobicContact CE2-CG1 3.98Å; F200-I479 HydrophobicContact CG-CD1 3.65Å; F200-I479 HydrophobicContact CG-CG1 3.68Å; F200-I479 HydrophobicContact CZ-CG1 4.19Å
201T98.2Very high95.8Very high7 Ų714.7 Ų14.74%0.0438%0.075CC..EExtended strand (participates in β ladder)trans-146.8146.7169-171.50000111A452 S453 T613 L617T201-A452 WeakPolarHBondContact O-CA 3.39Å; T201-S453 PolarHBondContact N-O 3.08Å; T201-S453 PolarHBondContact O-N 3.22Å; T201-T613 HydrophobicContact CG2-CG2 4.07Å; T201-L617 HydrophobicContact CG2-CD1 3.9Å; T201-L617 HydrophobicContact CG2-CG 4.29Å
202H97.5Very high95.6Very high0 Ų015.5 Ų15.50%08%0.08CC..EExtended strand (participates in β ladder)trans-73.6161.6170.9-75.4-75.6000111.4I180 F200 T206 L207I180-H202 WeakPolarHBondContact CD1-NE2 3.48Å; F200-H202 AromaticContact CE2-CD2 3.86Å; F200-H202 AromaticContact CE2-NE2 3.65Å; H202-T206 HydrophobicContact CB-CG2 3.78Å; H202-L207 HydrophobicContact CB-CD2 4.38Å
203A93.6Very high95.3Very high14 Ų1417.9 Ų17.912%0.11610%0.096CC..  trans-64.1161.8176.800000112.4T206 L207 S219 L451A203-T206 WeakPolarHBondContact O-CB 3.4Å; A203-T206 PolarHBondContact O-N 3.4Å; A203-T206 VanDerWaalsContact O-N 3.1Å; A203-L207 PolarHBondContact O-N 2.96Å; A203-L207 VanDerWaalsContact O-N 3.13Å; A203-S219 VanDerWaalsContact CB-OG 3.28Å; A203-S219 WeakPolarHBondContact CB-OG 3.32Å; A203-L451 HydrophobicContact CB-CB 3.61Å; A203-L451 WeakPolarHBondContact CB-O 3.32Å; A203-L451 PolarHBondContact N-O 3.3Å
204S90.7Very high94.9Very high10 Ų1021.7 Ų21.77%0.0711%0.11CC..Hα-helixtrans-56.4-42.1-173.2-53.20000114.6Y157 T206 L207 F208 R295Y157-S204 WeakPolarHBondContact OH-CB 3.37Å; Y157-S204 PolarHBondContact OH-OG 2.91Å; S204-T206 VanDerWaalsContact C-N 3.31Å; S204-T206 PolarHBondContact O-N 3.17Å; S204-L207 PolarHBondContact O-N 2.99Å; S204-L207 VanDerWaalsContact O-N 3.14Å; S204-F208 WeakPolarHBondContact O-CD2 3.39Å; S204-F208 WeakPolarHBondContact O-CG 3.24Å; S204-F208 PolarHBondContact O-N 3.2Å; S204-R295 PolarHBondContact OG-NH2 3.26Å
205P90.3Very high94.5Very high3 Ų322.4 Ų22.42%0.01912%0.115CC..Hα-helixtrans-60-39.4177.4-26.939.5000112.9F208 N209 S219P205-F208 PolarHBondContact O-N 3.33Å; P205-N209 WeakPolarHBondContact O-CB 3.47Å; P205-N209 PolarHBondContact O-N 3.26Å; P205-N209 PolarHBondContact O-ND2 2.83Å; P205-S219 WeakPolarHBondContact CD-OG 3.39Å
206T94.1Very high94.1Very high0 Ų022.3 Ų22.30%012%0.115CC..Hα-helixtrans-62.7-44.6173.8-430000111.4V176 I180 H202 A203 S204 F208 S210 L217V176-T206 HydrophobicContact CG1-CG2 4.34Å; I180-T206 HydrophobicContact CD1-CG2 4Å; I180-T206 HydrophobicContact CG1-CG2 4.45Å; H202-T206 HydrophobicContact CB-CG2 3.78Å; A203-T206 WeakPolarHBondContact O-CB 3.4Å; A203-T206 PolarHBondContact O-N 3.4Å; A203-T206 VanDerWaalsContact O-N 3.1Å; S204-T206 VanDerWaalsContact C-N 3.31Å; S204-T206 PolarHBondContact O-N 3.17Å; T206-F208 VanDerWaalsContact C-N 3.34Å; T206-F208 PolarHBondContact O-N 3.25Å; T206-S210 WeakPolarHBondContact O-CB 3.09Å; T206-S210 PolarHBondContact O-N 3.09Å; T206-L217 HydrophobicContact CG2-CD2 4.4Å; T206-L217 PolarHBondContact N-O 3.42Å; T206-L217 PolarHBondContact OG1-O 3.42Å
207L94.5Very high93.9Very high2 Ų222.3 Ų22.31%0.0112%0.115CC..Hα-helixtrans-64.3-37.3177.8-60.1178000112.5Y157 M172 R175 V176 H202 A203 S204 T613Y157-L207 HydrophobicContact CD1-CB 3.74Å; Y157-L207 HydrophobicContact CD1-CD1 4.05Å; Y157-L207 HydrophobicContact CE1-CB 4.01Å; Y157-L207 HydrophobicContact CE1-CD1 3.86Å; M172-L207 HydrophobicContact SD-CB 4.35Å; M172-L207 HydrophobicContact SD-CD2 4.06Å; R175-L207 PolarHBondContact NH1-O 3.32Å; V176-L207 HydrophobicContact CG1-CD2 4.38Å; V176-L207 HydrophobicContact CG2-CD2 4.18Å; H202-L207 HydrophobicContact CB-CD2 4.38Å; A203-L207 PolarHBondContact O-N 2.96Å; A203-L207 VanDerWaalsContact O-N 3.13Å; S204-L207 PolarHBondContact O-N 2.99Å; S204-L207 VanDerWaalsContact O-N 3.14Å; L207-T613 HydrophobicContact CD1-CG2 4.36Å
208F89.8Confident93.5Very high28 Ų2818.9 Ų18.912%0.12310%0.099CC..Hα-helixtrans-69.6-47.3177.9-64.7-39.9000112.5S156 Y157 S204 P205 T206S156-F208 WeakPolarHBondContact O-CD1 3.38Å; S156-F208 WeakPolarHBondContact O-CE1 3.37Å; Y157-F208 AromaticContact CD1-CD1 3.65Å; Y157-F208 HydrophobicContact CD1-CD1 3.65Å; Y157-F208 AromaticContact CD1-CE1 3.27Å; Y157-F208 HydrophobicContact CD1-CE1 3.27Å; Y157-F208 HydrophobicContact CD1-CZ 4.01Å; Y157-F208 AromaticContact CD2-CE1 3.8Å; Y157-F208 HydrophobicContact CD2-CE1 3.8Å; Y157-F208 HydrophobicContact CD2-CZ 4.39Å; Y157-F208 HydrophobicContact CE1-CD1 4.01Å; Y157-F208 AromaticContact CE1-CE1 3.37Å; Y157-F208 HydrophobicContact CE1-CE1 3.37Å; Y157-F208 HydrophobicContact CE1-CE2 4.39Å; Y157-F208 AromaticContact CE1-CZ 3.59Å; Y157-F208 HydrophobicContact CE1-CZ 3.59Å; Y157-F208 AromaticContact CE2-CE1 3.87Å; Y157-F208 HydrophobicContact CE2-CE1 3.87Å; Y157-F208 HydrophobicContact CE2-CZ 4Å; Y157-F208 HydrophobicContact CG-CD1 4.08Å; Y157-F208 AromaticContact CG-CE1 3.5Å; Y157-F208 HydrophobicContact CG-CE1 3.5Å; Y157-F208 VanDerWaalsContact CG-CE1 3.5Å; Y157-F208 HydrophobicContact CG-CZ 4.39Å; Y157-F208 AromaticContact CZ-CE1 3.67Å; Y157-F208 AromaticContact CZ-CZ 3.59Å; S204-F208 WeakPolarHBondContact O-CD2 3.39Å; S204-F208 WeakPolarHBondContact O-CG 3.24Å; S204-F208 PolarHBondContact O-N 3.2Å; P205-F208 PolarHBondContact O-N 3.33Å; T206-F208 VanDerWaalsContact C-N 3.34Å; T206-F208 PolarHBondContact O-N 3.25Å
209N92.8Very high92.6Very high37 Ų3718.4 Ų18.420%0.19810%0.099CC..Hα-helixtrans-112.5-12.7-159.5-58.9-34.6000114.1P205 G211 T212 P215 Q216 L217P205-N209 WeakPolarHBondContact O-CB 3.47Å; P205-N209 PolarHBondContact O-N 3.26Å; P205-N209 PolarHBondContact O-ND2 2.83Å; N209-G211 PolarHBondContact O-N 3.33Å; N209-T212 WeakPolarHBondContact O-CB 3.44Å; N209-T212 WeakPolarHBondContact O-CG2 3.33Å; N209-T212 PolarHBondContact O-N 2.95Å; N209-T212 PolarHBondContact O-OG1 3.45Å; N209-P215 WeakPolarHBondContact O-CA 3.18Å; N209-P215 WeakPolarHBondContact O-CB 3.42Å; N209-Q216 WeakPolarHBondContact CB-O 3.41Å; N209-Q216 PolarHBondContact ND2-O 3.34Å; N209-L217 HydrophobicContact CB-CD2 4.26Å
210S95.5Very high92.1Very high1 Ų117 Ų171%0.00710%0.095CC..THydrogen-bonded Turntrans-60.8131.3177.4-173.30000110.7R175 V176 G179 T206 T212R175-S210 WeakPolarHBondContact CG-O 3.2Å; R175-S210 PolarHBondContact NH1-O 3.11Å; V176-S210 PolarHBondContact O-OG 3.3Å; G179-S210 WeakPolarHBondContact CA-OG 3.43Å; T206-S210 WeakPolarHBondContact O-CB 3.09Å; T206-S210 PolarHBondContact O-N 3.09Å; S210-T212 VanDerWaalsContact C-N 3.28Å; S210-T212 PolarHBondContact O-N 3.06Å
211G94.6Very high91.9Very high3 Ų317 Ų173%0.03110%0.095CC..THydrogen-bonded Turntrans79.4-3.1-174.400000115.7I118 D119 N209I118-G211 WeakPolarHBondContact CA-O 3.5Å; I118-G211 WeakPolarHBondContact CG2-O 3.49Å; D119-G211 PolarHBondContact N-O 3.47Å; N209-G211 PolarHBondContact O-N 3.33Å
212T95Very high91.7Very high17 Ų1716.7 Ų16.710%0.1049%0.093CC..BIsolated β-bridgetrans-89165.2178.572.40000112.2M117 N209 S210 K214 P215M117-T212 VanDerWaalsContact O-CA 3.26Å; M117-T212 WeakPolarHBondContact O-CA 3.48Å; M117-T212 VanDerWaalsContact O-CB 3.24Å; M117-T212 WeakPolarHBondContact O-CB 3.21Å; N209-T212 WeakPolarHBondContact O-CB 3.44Å; N209-T212 WeakPolarHBondContact O-CG2 3.33Å; N209-T212 PolarHBondContact O-N 2.95Å; N209-T212 PolarHBondContact O-OG1 3.45Å; S210-T212 VanDerWaalsContact C-N 3.28Å; S210-T212 PolarHBondContact O-N 3.06Å; T212-K214 PolarHBondContact O-N 3.07Å; T212-K214 VanDerWaalsContact O-N 3.11Å; T212-P215 WeakPolarHBondContact O-CD 3.23Å
213C92.6Very high91.6Very high49 Ų4916.7 Ų16.733%0.3319%0.093SC..SBendtrans-58.3-24.5-176-72.60000115.6P116 I118P116-C213 PolarHBondContact O-SG 3.42Å; P116-C213 VanDerWaalsContact O-SG 3.34Å; I118-C213 PolarHBondContact O-SG 3.1Å
214K88.5Confident91.7Very high127 Ų12716 Ų1655%0.5529%0.088SC*.SBendtrans-134.178.2176.2-68.9-168.2179-170.60108.8T212 Q216 Y491T212-K214 PolarHBondContact O-N 3.07Å; T212-K214 VanDerWaalsContact O-N 3.11Å; K214-Q216 VanDerWaalsContact C-N 3.3Å; K214-Q216 PolarHBondContact O-N 3.43Å; K214-Y491 HydrophobicContact CB-CG 4.48Å
215P90.6Very high91.9Very high29 Ų2915.6 Ų15.619%0.1888%0.084CC..  trans-74.880.3-170.331.2-34.8000110.6N209 T212 L217 N490 Y491N209-P215 WeakPolarHBondContact O-CA 3.18Å; N209-P215 WeakPolarHBondContact O-CB 3.42Å; T212-P215 WeakPolarHBondContact O-CD 3.23Å; P215-L217 HydrophobicContact CB-CD2 3.88Å; P215-L217 HydrophobicContact CB-CG 4.2Å; P215-L217 WeakPolarHBondContact O-CG 3.48Å; P215-L217 PolarHBondContact O-N 2.74Å; P215-N490 PolarHBondContact O-OD1 2.66Å; P215-Y491 PolarHBondContact O-N 3Å
216Q90.4Very high92Very high3 Ų316.8 Ų16.81%0.0149%0.089CC..  trans-80.4101.2168.6-161.3-71.1-34.400107.8N209 K214 S218 F221 N246N209-Q216 WeakPolarHBondContact CB-O 3.41Å; N209-Q216 PolarHBondContact ND2-O 3.34Å; K214-Q216 VanDerWaalsContact C-N 3.3Å; K214-Q216 PolarHBondContact O-N 3.43Å; Q216-S218 PolarHBondContact NE2-O 3.32Å; Q216-S218 PolarHBondContact OE1-O 2.85Å; Q216-S218 VanDerWaalsContact OE1-O 3.12Å; Q216-F221 VanDerWaalsContact NE2-CZ 3.29Å; Q216-N246 HydrophobicContact CB-CB 4.39Å; Q216-N246 HydrophobicContact CG-CB 4.02Å; Q216-N246 PolarHBondContact OE1-O 2.9Å
217L92.6Very high91.9Very high1 Ų118.8 Ų18.81%0.00511%0.106CC..  trans-101.2-23.3-169.6-52.7-176.9000113T206 N209 P215 V486 C489 N490T206-L217 HydrophobicContact CG2-CD2 4.4Å; T206-L217 PolarHBondContact N-O 3.42Å; T206-L217 PolarHBondContact OG1-O 3.42Å; N209-L217 HydrophobicContact CB-CD2 4.26Å; P215-L217 HydrophobicContact CB-CD2 3.88Å; P215-L217 HydrophobicContact CB-CG 4.2Å; P215-L217 WeakPolarHBondContact O-CG 3.48Å; P215-L217 PolarHBondContact O-N 2.74Å; L217-V486 HydrophobicContact CB-CG1 3.74Å; L217-V486 HydrophobicContact CD1-CB 4.49Å; L217-V486 HydrophobicContact CD1-CG1 3.99Å; L217-V486 HydrophobicContact CD1-CG2 4.29Å; L217-C489 VanDerWaalsContact CD1-SG 3.57Å; L217-N490 HydrophobicContact CB-CB 4.5Å; L217-N490 PolarHBondContact N-OD1 3.42Å
218S88.4Confident91.9Very high0 Ų020.4 Ų20.40%012%0.115CC..  trans-77.5147-177.7-480000112Q216 V448 C449 N450 N490Q216-S218 PolarHBondContact NE2-O 3.32Å; Q216-S218 PolarHBondContact OE1-O 2.85Å; Q216-S218 VanDerWaalsContact OE1-O 3.12Å; S218-V448 VanDerWaalsContact OG-CG1 3.23Å; S218-V448 WeakPolarHBondContact OG-CG1 3.3Å; S218-C449 WeakPolarHBondContact CB-O 3.45Å; S218-N450 PolarHBondContact OG-OD1 3.34Å; S218-N490 PolarHBondContact N-OD1 3.38Å; S218-N490 PolarHBondContact OG-OD1 2.81Å
219S78.8Confident92Very high17 Ų1721 Ų2112%0.11912%0.122CC..  trans-97.5-36.6-171.7-60.30000115.3A203 P205 G249 C449A203-S219 VanDerWaalsContact CB-OG 3.28Å; A203-S219 WeakPolarHBondContact CB-OG 3.32Å; P205-S219 WeakPolarHBondContact CD-OG 3.39Å; S219-G249 PolarHBondContact O-N 2.87Å; S219-G249 VanDerWaalsContact O-N 3.07Å; S219-C449 PolarHBondContact N-O 2.89Å
220C87.7Confident92.1Very high9 Ų924.5 Ų24.56%0.06114%0.139CC..EExtended strand (participates in β ladder)trans-131.7143.9-169.2-61.60000109.5G249 N429 C449C220-G249 CarbonylContact C-O 3.5Å; C220-G249 WeakPolarHBondContact CA-O 3.48Å; C220-N429 HydrophobicContact CB-CB 4.05Å; C220-N429 PolarHBondContact SG-ND2 3.5Å; C220-N429 VanDerWaalsContact SG-ND2 3.36Å; C220-C449 HydrophobicContact CB-CB 4.14Å; C220-C449 PolarHBondContact O-N 3.34Å
221F93.6Very high92Very high0 Ų030.9 Ų30.90%017%0.169CC..EExtended strand (participates in β ladder)trans-125.5141.2174.7-62.9-97.3000108.8Q216 L223 I243 G249 I250 G251 T446 A447 V448 P493 A497Q216-F221 VanDerWaalsContact NE2-CZ 3.29Å; F221-L223 HydrophobicContact CB-CD1 4.03Å; F221-I243 HydrophobicContact CB-CD1 4.09Å; F221-I243 HydrophobicContact CB-CG2 4.02Å; F221-I243 HydrophobicContact CD1-CD1 4.1Å; F221-I243 HydrophobicContact CD1-CG1 4.35Å; F221-I243 HydrophobicContact CD1-CG2 4.35Å; F221-I243 HydrophobicContact CD2-CG2 3.27Å; F221-I243 HydrophobicContact CE2-CG2 3.73Å; F221-I243 HydrophobicContact CG-CD1 4.09Å; F221-I243 HydrophobicContact CG-CG1 4.37Å; F221-I243 HydrophobicContact CG-CG2 3.63Å; F221-I243 HydrophobicContact CZ-CG2 4.41Å; F221-G249 PolarHBondContact N-O 3.34Å; F221-I250 CarbonylContact O-C 3.54Å; F221-I250 WeakPolarHBondContact O-CA 3.29Å; F221-G251 PolarHBondContact O-N 2.88Å; F221-T446 HydrophobicContact CB-CG2 4.02Å; F221-T446 HydrophobicContact CD1-CG2 3.71Å; F221-T446 HydrophobicContact CG-CG2 4.35Å; F221-A447 VanDerWaalsContact CA-O 3.29Å; F221-A447 WeakPolarHBondContact CA-O 3.4Å; F221-V448 HydrophobicContact CD1-CG1 4.45Å; F221-V448 HydrophobicContact CD1-CG2 3.86Å; F221-V448 HydrophobicContact CE1-CG1 4.08Å; F221-V448 HydrophobicContact CE1-CG2 3.86Å; F221-P493 HydrophobicContact CE1-CG 3.92Å; F221-P493 HydrophobicContact CZ-CG 3.75Å; F221-A497 HydrophobicContact CD1-CB 4.16Å; F221-A497 HydrophobicContact CE1-CB 3.91Å
222L95.2Very high92Very high0 Ų031 Ų310%017%0.171CC..EExtended strand (participates in β ladder)trans-116.5134.1174.6-61.182.1000107.3G251 S428 N429 I434 C438 T446 A447L222-G251 CarbonylContact C-O 3.58Å; L222-G251 VanDerWaalsContact CA-O 3.3Å; L222-G251 WeakPolarHBondContact CA-O 3.42Å; L222-S428 VanDerWaalsContact CD2-C 3.42Å; L222-N429 HydrophobicContact CD1-CB 3.99Å; L222-N429 HydrophobicContact CD2-CB 4.42Å; L222-N429 HydrophobicContact CG-CB 4.02Å; L222-I434 HydrophobicContact CD1-CB 4.27Å; L222-I434 HydrophobicContact CD1-CG2 3.54Å; L222-I434 HydrophobicContact CD2-CG2 4.26Å; L222-C438 VanDerWaalsContact CB-SG 3.51Å; L222-C438 PolarHBondContact O-SG 3.45Å; L222-T446 CarbonylContact O-C 3.41Å; L222-T446 VanDerWaalsContact O-CA 3.22Å; L222-T446 WeakPolarHBondContact O-CA 3.41Å; L222-A447 HydrophobicContact CB-CB 4.23Å; L222-A447 HydrophobicContact CD1-CB 4.28Å; L222-A447 PolarHBondContact N-O 2.84Å; L222-A447 PolarHBondContact O-N 3.3Å
223L95.1Very high92Very high0 Ų031.2 Ų31.20%017%0.171CC..EExtended strand (participates in β ladder)trans-129.8146.5-177.1-7290.3000110.6F221 E239 I243 I250 G251 L252 N253 T446F221-L223 HydrophobicContact CB-CD1 4.03Å; L223-E239 HydrophobicContact CD2-CB 3.93Å; L223-I243 HydrophobicContact CD1-CD1 3.83Å; L223-I243 HydrophobicContact CD2-CD1 4.15Å; L223-I250 HydrophobicContact CD1-CG2 3.68Å; L223-G251 PolarHBondContact N-O 3.43Å; L223-L252 HydrophobicContact CB-CD1 3.93Å; L223-L252 WeakPolarHBondContact O-CA 3.35Å; L223-N253 PolarHBondContact O-N 3.44Å; L223-N253 VanDerWaalsContact O-N 3.11Å; L223-N253 PolarHBondContact O-ND2 3.42Å; L223-T446 HydrophobicContact CD1-CG2 4.04Å; L223-T446 HydrophobicContact CG-CG2 4.06Å
224T94.3Very high92.2Very high1 Ų134.9 Ų34.91%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-107.2131.1169-67.10000108.8K226 N253 C438 P440 N445T224-K226 PolarHBondContact O-N 2.8Å; T224-N253 VanDerWaalsContact CA-ND2 3.27Å; T224-N253 WeakPolarHBondContact CA-ND2 3.43Å; T224-N253 PolarHBondContact OG1-ND2 3.12Å; T224-C438 WeakPolarHBondContact OG1-CB 3.48Å; T224-C438 PolarHBondContact OG1-O 2.67Å; T224-P440 HydrophobicContact CG2-CB 4.26Å; T224-N445 PolarHBondContact N-OD1 3.05Å; T224-N445 PolarHBondContact O-ND2 3.01Å; T224-N445 PolarHBondContact O-OD1 3.16Å; T224-N445 VanDerWaalsContact O-OD1 3.05Å
225M94.8Very high92.5Very high1 Ų131.7 Ų31.71%0.00517%0.168CC..  trans-53.4119.3173.5-176.959.16900110.2A227 I233 T236 L252 N253 V254 I257 M277 F281M225-A227 PolarHBondContact O-N 3.49Å; M225-I233 HydrophobicContact CE-CG1 4.39Å; M225-I233 HydrophobicContact SD-CB 4.3Å; M225-I233 HydrophobicContact SD-CG1 3.86Å; M225-T236 HydrophobicContact CE-CG2 4.26Å; M225-T236 HydrophobicContact SD-CG2 4.11Å; M225-T236 PolarHBondContact SD-OG1 3.41Å; M225-L252 HydrophobicContact CE-CD2 4.39Å; M225-N253 WeakPolarHBondContact CB-O 3.06Å; M225-N253 PolarHBondContact N-O 3.21Å; M225-V254 HydrophobicContact CE-CG1 4.15Å; M225-I257 HydrophobicContact CE-CG1 4.4Å; M225-I257 HydrophobicContact CG-CD1 3.43Å; M225-I257 VanDerWaalsContact CG-CD1 3.43Å; M225-I257 HydrophobicContact CG-CG1 3.77Å; M225-I257 HydrophobicContact SD-CD1 4.19Å; M225-M277 HydrophobicContact CE-CE 4.1Å; M225-M277 HydrophobicContact CE-SD 3.99Å; M225-F281 HydrophobicContact CE-CE2 4.17Å; M225-F281 HydrophobicContact CE-CZ 3.92Å
226K92.7Very high92.7Very high28 Ų2830.3 Ų30.312%0.12216%0.159CC..  trans-57.6-45.2-170.1-77.1-177.2179.3-167.10113.4T224 D235 T236 E239 P440 N445T224-K226 PolarHBondContact O-N 2.8Å; K226-D235 HydrophobicContact CD-CB 3.79Å; K226-T236 PolarHBondContact N-OG1 3.08Å; K226-E239 WeakPolarHBondContact CE-OE1 2.81Å; K226-E239 IonicContact NZ-OE1 3.59Å; K226-E239 PolarHBondContact NZ-OE1 3.35Å; K226-P440 VanDerWaalsContact O-CB 3.3Å; K226-P440 WeakPolarHBondContact O-CB 3.48Å; K226-N445 WeakPolarHBondContact CG-ND2 3.33Å
227A92.3Very high92.9Very high42 Ų4231.1 Ų31.135%0.34716%0.163SC..  trans-160.6154.4-179.400000110.9M225 S229M225-A227 PolarHBondContact O-N 3.49Å; A227-S229 WeakPolarHBondContact CB-OG 3.49Å; A227-S229 PolarHBondContact O-N 3.35Å
228D93.9Very high93Very high36 Ų3637.2 Ų37.219%0.19319%0.19CC..SBendtrans-76.863.5168.6-179.244000111.2S256 I257 R258D228-S256 WeakPolarHBondContact CB-O 3.49Å; D228-I257 HydrophobicContact CB-CD1 4.29Å; D228-I257 WeakPolarHBondContact OD1-CA 3.46Å; D228-R258 PolarHBondContact O-NH2 3.39Å; D228-R258 PolarHBondContact OD1-N 2.93Å; D228-R258 IonicContact OD1-NE 2.73Å; D228-R258 PolarHBondContact OD1-NE 2.89Å; D228-R258 IonicContact OD2-CZ 3.27Å; D228-R258 IonicContact OD2-NE 2.75Å; D228-R258 PolarHBondContact OD2-NE 3.47Å; D228-R258 IonicContact OD2-NH2 2.83Å; D228-R258 PolarHBondContact OD2-NH2 2.92Å
229S93.6Very high93.2Very high39 Ų3937.8 Ų37.827%0.27319%0.192SC..SBendtrans-149.6160.6-179.460.60000110.2A227 E231 G232 I233A227-S229 WeakPolarHBondContact CB-OG 3.49Å; A227-S229 PolarHBondContact O-N 3.35Å; S229-E231 VanDerWaalsContact C-N 3.3Å; S229-E231 PolarHBondContact O-N 2.96Å; S229-G232 PolarHBondContact O-N 2.82Å; S229-G232 PolarHBondContact OG-N 3.17Å; S229-G232 VanDerWaalsContact OG-N 3.08Å; S229-I233 WeakPolarHBondContact O-CB 3.24Å; S229-I233 WeakPolarHBondContact O-CD1 3.39Å; S229-I233 WeakPolarHBondContact O-CG1 3.3Å; S229-I233 PolarHBondContact O-N 2.89Å
230I94Very high93.9Very high111 Ų11137 Ų3757%0.56919%0.186SC*.Hα-helixtrans-63.3-41.4177.3-65.1-61.8000110.3I233 Y234I230-I233 PolarHBondContact O-N 3.45Å; I230-Y234 HydrophobicContact CG2-CD2 3.79Å; I230-Y234 HydrophobicContact CG2-CE2 3.96Å; I230-Y234 WeakPolarHBondContact O-CB 3.49Å; I230-Y234 VanDerWaalsContact O-CD2 3.29Å; I230-Y234 WeakPolarHBondContact O-CD2 3.24Å; I230-Y234 PolarHBondContact O-N 3.48Å
231E94.1Very high94.2Very high135 Ų13537.7 Ų37.763%0.63119%0.193SC*.Hα-helixtrans-58.5-52.3176.8-62.877.3-171.700110.8S229 I233 Y234 D235S229-E231 VanDerWaalsContact C-N 3.3Å; S229-E231 PolarHBondContact O-N 2.96Å; E231-I233 VanDerWaalsContact C-N 3.34Å; E231-I233 PolarHBondContact O-N 3.41Å; E231-Y234 PolarHBondContact O-N 3.17Å; E231-D235 WeakPolarHBondContact O-CB 3.19Å; E231-D235 PolarHBondContact O-N 2.95Å
232G93.8Very high94.1Very high6 Ų640.5 Ų40.56%0.06221%0.208CC..Hα-helixtrans-61.5-39.4178.800000113.5S229 T236S229-G232 PolarHBondContact O-N 2.82Å; S229-G232 PolarHBondContact OG-N 3.17Å; S229-G232 VanDerWaalsContact OG-N 3.08Å; G232-T236 WeakPolarHBondContact O-CB 3.44Å; G232-T236 PolarHBondContact O-N 3.39Å; G232-T236 VanDerWaalsContact O-N 3.07Å; G232-T236 PolarHBondContact O-OG1 2.71Å
233I95.8Very high93.8Very high21 Ų2140.5 Ų40.511%0.10821%0.208CC..Hα-helixtrans-64.8-48.8177.1-70.2164.7000111.2M225 S229 I230 E231 T236 L237 I257 M277 F281M225-I233 HydrophobicContact CE-CG1 4.39Å; M225-I233 HydrophobicContact SD-CB 4.3Å; M225-I233 HydrophobicContact SD-CG1 3.86Å; S229-I233 WeakPolarHBondContact O-CB 3.24Å; S229-I233 WeakPolarHBondContact O-CD1 3.39Å; S229-I233 WeakPolarHBondContact O-CG1 3.3Å; S229-I233 PolarHBondContact O-N 2.89Å; I230-I233 PolarHBondContact O-N 3.45Å; E231-I233 VanDerWaalsContact C-N 3.34Å; E231-I233 PolarHBondContact O-N 3.41Å; I233-T236 PolarHBondContact O-N 2.98Å; I233-L237 WeakPolarHBondContact O-CB 3.32Å; I233-L237 PolarHBondContact O-N 2.81Å; I233-I257 HydrophobicContact CD1-CD1 3.94Å; I233-I257 HydrophobicContact CG1-CD1 3.8Å; I233-M277 HydrophobicContact CD1-SD 3.86Å; I233-M277 HydrophobicContact CG1-SD 3.9Å; I233-M277 HydrophobicContact CG2-CG 3.87Å; I233-M277 HydrophobicContact CG2-SD 3.95Å; I233-F281 HydrophobicContact CG2-CE2 4.21Å
234Y96.2Very high93.5Very high126 Ų12640.5 Ų40.549%0.49421%0.208SC..Hα-helixtrans-74.3-29.9-176.9-84.5-102.1000112.9I230 E231 L237 K238I230-Y234 HydrophobicContact CG2-CD2 3.79Å; I230-Y234 HydrophobicContact CG2-CE2 3.96Å; I230-Y234 WeakPolarHBondContact O-CB 3.49Å; I230-Y234 VanDerWaalsContact O-CD2 3.29Å; I230-Y234 WeakPolarHBondContact O-CD2 3.24Å; I230-Y234 PolarHBondContact O-N 3.48Å; E231-Y234 PolarHBondContact O-N 3.17Å; Y234-L237 HydrophobicContact CD1-CD2 4.27Å; Y234-L237 HydrophobicContact CE1-CD2 4.46Å; Y234-L237 WeakPolarHBondContact O-CB 3.4Å; Y234-L237 PolarHBondContact O-N 3.05Å; Y234-K238 WeakPolarHBondContact O-CB 3.17Å; Y234-K238 PolarHBondContact O-N 3.16Å
235D94.2Very high93.1Very high61 Ų6147.4 Ų47.433%0.32624%0.237SC..Hα-helixtrans-66.1-42.7170.1-81.8-23.6000111.6K226 E231 L237 K238 E239K226-D235 HydrophobicContact CD-CB 3.79Å; E231-D235 WeakPolarHBondContact O-CB 3.19Å; E231-D235 PolarHBondContact O-N 2.95Å; D235-L237 VanDerWaalsContact C-N 3.32Å; D235-L237 PolarHBondContact O-N 3.34Å; D235-K238 WeakPolarHBondContact O-CB 3.3Å; D235-K238 PolarHBondContact O-N 2.99Å; D235-E239 PolarHBondContact O-N 2.99Å
236T94.9Very high92.5Very high0 Ų049.2 Ų49.20%025%0.247CC..Hα-helixtrans-62.5-42.2173.8-53.10000110.6M225 K226 G232 I233 K238 E239 C240 L252 F281M225-T236 HydrophobicContact CE-CG2 4.26Å; M225-T236 HydrophobicContact SD-CG2 4.11Å; M225-T236 PolarHBondContact SD-OG1 3.41Å; K226-T236 PolarHBondContact N-OG1 3.08Å; G232-T236 WeakPolarHBondContact O-CB 3.44Å; G232-T236 PolarHBondContact O-N 3.39Å; G232-T236 VanDerWaalsContact O-N 3.07Å; G232-T236 PolarHBondContact O-OG1 2.71Å; I233-T236 PolarHBondContact O-N 2.98Å; T236-K238 PolarHBondContact O-N 3.21Å; T236-E239 PolarHBondContact O-N 3.42Å; T236-C240 PolarHBondContact O-N 2.98Å; T236-C240 PolarHBondContact O-SG 2.81Å; T236-L252 HydrophobicContact CG2-CD1 3.69Å; T236-L252 HydrophobicContact CG2-CD2 4.46Å; T236-F281 HydrophobicContact CG2-CZ 4.49Å
237L95.4Very high91.9Very high20 Ų2048.9 Ų48.911%0.10525%0.25CC..Hα-helixtrans-60.6-43.6175.9-173.571.4000112.3I233 Y234 D235 C240 A241 V280 F281 T284I233-L237 WeakPolarHBondContact O-CB 3.32Å; I233-L237 PolarHBondContact O-N 2.81Å; Y234-L237 HydrophobicContact CD1-CD2 4.27Å; Y234-L237 HydrophobicContact CE1-CD2 4.46Å; Y234-L237 WeakPolarHBondContact O-CB 3.4Å; Y234-L237 PolarHBondContact O-N 3.05Å; D235-L237 VanDerWaalsContact C-N 3.32Å; D235-L237 PolarHBondContact O-N 3.34Å; L237-C240 PolarHBondContact O-N 2.88Å; L237-A241 WeakPolarHBondContact O-CB 3.31Å; L237-A241 PolarHBondContact O-N 3.07Å; L237-V280 HydrophobicContact CD1-CG1 4.37Å; L237-V280 HydrophobicContact CD2-CG1 3.57Å; L237-F281 HydrophobicContact CB-CE1 4.19Å; L237-F281 HydrophobicContact CB-CZ 4.01Å; L237-F281 HydrophobicContact CD1-CB 4.43Å; L237-F281 HydrophobicContact CD1-CD1 3.54Å; L237-F281 HydrophobicContact CD1-CD2 4.03Å; L237-F281 HydrophobicContact CD1-CE1 3.63Å; L237-F281 HydrophobicContact CD1-CE2 4.11Å; L237-F281 HydrophobicContact CD1-CG 3.75Å; L237-F281 HydrophobicContact CD1-CZ 3.92Å; L237-T284 HydrophobicContact CD1-CG2 4.08Å; L237-T284 WeakPolarHBondContact CD1-OG1 3.2Å
238K94.4Very high91.4Very high129 Ų12946.9 Ų46.956%0.56123%0.233SC*.Hα-helixtrans-59.9-46.3175.2174.5-175.1172.5-172.30111Y234 D235 T236 A241 I242Y234-K238 WeakPolarHBondContact O-CB 3.17Å; Y234-K238 PolarHBondContact O-N 3.16Å; D235-K238 WeakPolarHBondContact O-CB 3.3Å; D235-K238 PolarHBondContact O-N 2.99Å; T236-K238 PolarHBondContact O-N 3.21Å; K238-A241 PolarHBondContact O-N 3.25Å; K238-I242 HydrophobicContact CG-CD1 3.92Å; K238-I242 VanDerWaalsContact O-CG1 3.3Å; K238-I242 WeakPolarHBondContact O-CG1 3.44Å; K238-I242 PolarHBondContact O-N 3.38Å
239E93.1Very high91.2Very high11 Ų1145.5 Ų45.55%0.05123%0.227CC..Hα-helixtrans-60-45.7175.8-73.7-179.4-169.900111.3L223 K226 D235 T236 A241 I242 I243 V494 Q496L223-E239 HydrophobicContact CD2-CB 3.93Å; K226-E239 WeakPolarHBondContact CE-OE1 2.81Å; K226-E239 IonicContact NZ-OE1 3.59Å; K226-E239 PolarHBondContact NZ-OE1 3.35Å; D235-E239 PolarHBondContact O-N 2.99Å; T236-E239 PolarHBondContact O-N 3.42Å; E239-A241 VanDerWaalsContact C-N 3.34Å; E239-A241 PolarHBondContact O-N 2.96Å; E239-I242 PolarHBondContact O-N 3.01Å; E239-I243 WeakPolarHBondContact O-CB 3.5Å; E239-I243 VanDerWaalsContact O-CG1 3.29Å; E239-I243 WeakPolarHBondContact O-CG1 3.45Å; E239-I243 PolarHBondContact O-N 3.5Å; E239-V494 HydrophobicContact CB-CG1 4.5Å; E239-V494 HydrophobicContact CG-CG1 4.28Å; E239-Q496 PolarHBondContact OE1-NE2 2.85Å
240C93.3Very high91.3Very high0 Ų043.6 Ų43.60%021%0.214CC..Hα-helixtrans-58.8-43.1175.1-67.80000112.6T236 L237 I243 S244 I250 F281 F299T236-C240 PolarHBondContact O-N 2.98Å; T236-C240 PolarHBondContact O-SG 2.81Å; L237-C240 PolarHBondContact O-N 2.88Å; C240-I243 PolarHBondContact O-N 3.25Å; C240-S244 VanDerWaalsContact O-CB 3.26Å; C240-S244 WeakPolarHBondContact O-CB 3.21Å; C240-S244 PolarHBondContact O-N 3.24Å; C240-I250 VanDerWaalsContact CA-CD1 3.47Å; C240-I250 HydrophobicContact CB-CD1 3.61Å; C240-I250 WeakPolarHBondContact O-CD1 3.45Å; C240-F281 HydrophobicContact CB-CE1 4.5Å; C240-F299 HydrophobicContact CB-CE2 4.47Å; C240-F299 HydrophobicContact CB-CZ 4.34Å
241A92.6Very high91.4Very high25 Ų2538.3 Ų38.321%0.20719%0.187CC..Hα-helixtrans-63.5-43.617800000112L237 K238 E239 S244 K245 T284 V288L237-A241 WeakPolarHBondContact O-CB 3.31Å; L237-A241 PolarHBondContact O-N 3.07Å; K238-A241 PolarHBondContact O-N 3.25Å; E239-A241 VanDerWaalsContact C-N 3.34Å; E239-A241 PolarHBondContact O-N 2.96Å; A241-S244 PolarHBondContact O-N 3.09Å; A241-K245 WeakPolarHBondContact O-CB 3.42Å; A241-K245 PolarHBondContact O-N 3.42Å; A241-T284 HydrophobicContact CB-CG2 3.96Å; A241-V288 HydrophobicContact CB-CG2 4.29Å
242I91.5Very high91.5Very high59 Ų5932 Ų3230%0.30316%0.157SC..Hα-helixtrans-66.8-40.5179-63.8167.9000110.8K238 E239 N246 P493 V494K238-I242 HydrophobicContact CG-CD1 3.92Å; K238-I242 VanDerWaalsContact O-CG1 3.3Å; K238-I242 WeakPolarHBondContact O-CG1 3.44Å; K238-I242 PolarHBondContact O-N 3.38Å; E239-I242 PolarHBondContact O-N 3.01Å; I242-N246 PolarHBondContact O-ND2 3.33Å; I242-P493 HydrophobicContact CG2-CB 4.05Å; I242-P493 WeakPolarHBondContact CG2-O 3.48Å; I242-V494 HydrophobicContact CB-CG1 4.32Å; I242-V494 HydrophobicContact CG2-CG1 4.13Å
243I90.5Very high91.6Very high0 Ų031.7 Ų31.70%015%0.154CC..Hα-helixtrans-64.5-50175.7-70.7167000110.9F221 L223 E239 C240 K245 N246 G248 I250 T446 P493 V494F221-I243 HydrophobicContact CB-CD1 4.09Å; F221-I243 HydrophobicContact CB-CG2 4.02Å; F221-I243 HydrophobicContact CD1-CD1 4.1Å; F221-I243 HydrophobicContact CD1-CG1 4.35Å; F221-I243 HydrophobicContact CD1-CG2 4.35Å; F221-I243 HydrophobicContact CD2-CG2 3.27Å; F221-I243 HydrophobicContact CE2-CG2 3.73Å; F221-I243 HydrophobicContact CG-CD1 4.09Å; F221-I243 HydrophobicContact CG-CG1 4.37Å; F221-I243 HydrophobicContact CG-CG2 3.63Å; F221-I243 HydrophobicContact CZ-CG2 4.41Å; L223-I243 HydrophobicContact CD1-CD1 3.83Å; L223-I243 HydrophobicContact CD2-CD1 4.15Å; E239-I243 WeakPolarHBondContact O-CB 3.5Å; E239-I243 VanDerWaalsContact O-CG1 3.29Å; E239-I243 WeakPolarHBondContact O-CG1 3.45Å; E239-I243 PolarHBondContact O-N 3.5Å; C240-I243 PolarHBondContact O-N 3.25Å; I243-K245 VanDerWaalsContact C-N 3.29Å; I243-K245 PolarHBondContact O-N 3.38Å; I243-N246 CarbonylContact O-C 3.02Å; I243-N246 PolarHBondContact O-N 3.39Å; I243-G248 PolarHBondContact O-N 3.4Å; I243-I250 HydrophobicContact CB-CD1 4.06Å; I243-I250 HydrophobicContact CG2-CD1 3.89Å; I243-I250 HydrophobicContact CG2-CG1 3.86Å; I243-T446 HydrophobicContact CD1-CG2 4.02Å; I243-P493 HydrophobicContact CG1-CG 3.96Å; I243-V494 HydrophobicContact CD1-CG2 4.23Å; I243-V494 HydrophobicContact CG1-CG1 4.37Å; I243-V494 HydrophobicContact CG1-CG2 4.39Å
244S88.5Confident91.7Very high0 Ų030.7 Ų30.70%015%0.149CC..Hα-helixtrans-60.8-37.9-179.4-165.90000111.9C240 A241 N246 A247 V288 Q290C240-S244 VanDerWaalsContact O-CB 3.26Å; C240-S244 WeakPolarHBondContact O-CB 3.21Å; C240-S244 PolarHBondContact O-N 3.24Å; A241-S244 PolarHBondContact O-N 3.09Å; S244-N246 PolarHBondContact O-N 3.32Å; S244-N246 VanDerWaalsContact O-N 3.16Å; S244-A247 PolarHBondContact O-N 3.32Å; S244-V288 PolarHBondContact OG-O 2.95Å; S244-V288 VanDerWaalsContact OG-O 3.05Å; S244-Q290 WeakPolarHBondContact O-CA 3.07Å; S244-Q290 WeakPolarHBondContact O-CG 3.17Å
245K85.7Confident91.7Very high145 Ų14524.7 Ų24.763%0.6313%0.126SC*.Hα-helixtrans-54.5-35.1174.4174.5-179174.9176.90112.3A241 I243 A247 V288A241-K245 WeakPolarHBondContact O-CB 3.42Å; A241-K245 PolarHBondContact O-N 3.42Å; I243-K245 VanDerWaalsContact C-N 3.29Å; I243-K245 PolarHBondContact O-N 3.38Å; K245-A247 VanDerWaalsContact C-N 3.34Å; K245-V288 HydrophobicContact CB-CG1 3.78Å; K245-V288 VanDerWaalsContact N-CG1 3.33Å
246N82.6Confident91.7Very high40 Ų4023 Ų2321%0.21412%0.119CC..THydrogen-bonded Turntrans-97.826-179.4-60.6-79.1000112.5Q216 I242 I243 S244 G248Q216-N246 HydrophobicContact CB-CB 4.39Å; Q216-N246 HydrophobicContact CG-CB 4.02Å; Q216-N246 PolarHBondContact OE1-O 2.9Å; I242-N246 PolarHBondContact O-ND2 3.33Å; I243-N246 CarbonylContact O-C 3.02Å; I243-N246 PolarHBondContact O-N 3.39Å; S244-N246 PolarHBondContact O-N 3.32Å; S244-N246 VanDerWaalsContact O-N 3.16Å; N246-G248 VanDerWaalsContact C-N 3.3Å; N246-G248 PolarHBondContact O-N 3.28Å
247A78.8Confident91.8Very high21 Ų2123.2 Ų23.217%0.17412%0.12CC..THydrogen-bonded Turntrans63.823.1175.700000116.6S244 K245 Q290S244-A247 PolarHBondContact O-N 3.32Å; K245-A247 VanDerWaalsContact C-N 3.34Å; A247-Q290 HydrophobicContact CB-CB 3.94Å; A247-Q290 HydrophobicContact CB-CG 4.49Å
248G83.4Confident91.9Very high0 Ų024 Ų240%012%0.122CC..  trans-79.2130.1170.800000112.3I243 N246 Q290I243-G248 PolarHBondContact O-N 3.4Å; N246-G248 VanDerWaalsContact C-N 3.3Å; N246-G248 PolarHBondContact O-N 3.28Å; G248-Q290 PolarHBondContact O-NE2 2.96Å
249G89.5Confident92Very high6 Ų617.9 Ų17.96%0.06210%0.095CC..EExtended strand (participates in β ladder)trans-78.3146.1165.500000110.9S219 C220 F221S219-G249 PolarHBondContact O-N 2.87Å; S219-G249 VanDerWaalsContact O-N 3.07Å; C220-G249 CarbonylContact C-O 3.5Å; C220-G249 WeakPolarHBondContact CA-O 3.48Å; F221-G249 PolarHBondContact N-O 3.34Å
250I93.8Very high92.2Very high0 Ų020.6 Ų20.60%011%0.112CC..EExtended strand (participates in β ladder)trans-121133.1-171.8-57.5-176.2000111.5F221 L223 C240 I243 L252 A298 F299 A300F221-I250 CarbonylContact O-C 3.54Å; F221-I250 WeakPolarHBondContact O-CA 3.29Å; L223-I250 HydrophobicContact CD1-CG2 3.68Å; C240-I250 VanDerWaalsContact CA-CD1 3.47Å; C240-I250 HydrophobicContact CB-CD1 3.61Å; C240-I250 WeakPolarHBondContact O-CD1 3.45Å; I243-I250 HydrophobicContact CB-CD1 4.06Å; I243-I250 HydrophobicContact CG2-CD1 3.89Å; I243-I250 HydrophobicContact CG2-CG1 3.86Å; I250-L252 HydrophobicContact CG2-CB 4.24Å; I250-A298 PolarHBondContact N-O 2.93Å; I250-A298 VanDerWaalsContact N-O 3.16Å; I250-F299 HydrophobicContact CB-CB 4.45Å; I250-F299 HydrophobicContact CB-CD1 3.73Å; I250-F299 HydrophobicContact CB-CE1 4.42Å; I250-F299 HydrophobicContact CB-CG 4.34Å; I250-F299 HydrophobicContact CD1-CD1 3.76Å; I250-F299 HydrophobicContact CD1-CE1 3.56Å; I250-F299 HydrophobicContact CD1-CZ 4.27Å; I250-F299 HydrophobicContact CG1-CD1 3.89Å; I250-F299 HydrophobicContact CG1-CE1 4.09Å; I250-F299 CarbonylContact O-C 3.5Å; I250-F299 WeakPolarHBondContact O-CA 3.4Å; I250-A300 PolarHBondContact O-N 3.04Å
251G96.7Very high92.2Very high0 Ų022 Ų220%013%0.127CC..EExtended strand (participates in β ladder)trans-103.5126.6155.300000109.5F221 L222 L223 A300F221-G251 PolarHBondContact O-N 2.88Å; L222-G251 CarbonylContact C-O 3.58Å; L222-G251 VanDerWaalsContact CA-O 3.3Å; L222-G251 WeakPolarHBondContact CA-O 3.42Å; L223-G251 PolarHBondContact N-O 3.43Å; G251-A300 CarbonylContact C-O 3.34Å; G251-A300 WeakPolarHBondContact CA-O 3.19Å
252L96.9Very high92.3Very high1 Ų120.9 Ų20.91%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-126.9121-178.6172.563.1000109.6L223 M225 T236 I250 V254 F281 A300 I301 Y302L223-L252 HydrophobicContact CB-CD1 3.93Å; L223-L252 WeakPolarHBondContact O-CA 3.35Å; M225-L252 HydrophobicContact CE-CD2 4.39Å; T236-L252 HydrophobicContact CG2-CD1 3.69Å; T236-L252 HydrophobicContact CG2-CD2 4.46Å; I250-L252 HydrophobicContact CG2-CB 4.24Å; L252-V254 HydrophobicContact CD2-CG1 4.1Å; L252-V254 HydrophobicContact CG-CG1 3.97Å; L252-F281 HydrophobicContact CD2-CD1 3.85Å; L252-F281 HydrophobicContact CD2-CE1 3.46Å; L252-F281 VanDerWaalsContact CD2-CE1 3.46Å; L252-F281 HydrophobicContact CD2-CZ 3.92Å; L252-A300 PolarHBondContact N-O 2.81Å; L252-I301 HydrophobicContact CB-CD1 4.21Å; L252-I301 HydrophobicContact CD2-CD1 4.15Å; L252-I301 CarbonylContact O-C 3.48Å; L252-I301 WeakPolarHBondContact O-CA 3Å; L252-Y302 PolarHBondContact O-N 3.27Å
253N96.3Very high92.4Very high0 Ų023.3 Ų23.30%012%0.124CC..EExtended strand (participates in β ladder)trans-84.5138.8167.564.591.1000111.5L223 T224 M225 R426 C427L223-N253 PolarHBondContact O-N 3.44Å; L223-N253 VanDerWaalsContact O-N 3.11Å; L223-N253 PolarHBondContact O-ND2 3.42Å; T224-N253 VanDerWaalsContact CA-ND2 3.27Å; T224-N253 WeakPolarHBondContact CA-ND2 3.43Å; T224-N253 PolarHBondContact OG1-ND2 3.12Å; M225-N253 WeakPolarHBondContact CB-O 3.06Å; M225-N253 PolarHBondContact N-O 3.21Å; N253-R426 HydrophobicContact CB-CB 4.24Å; N253-C427 HydrophobicContact CB-CB 3.95Å; N253-C427 PolarHBondContact ND2-SG 3.02Å; N253-C427 VanDerWaalsContact ND2-SG 3.41Å
254V97Very high92.4Very high0 Ų025.7 Ų25.70%014%0.136CC..  trans-125.120.1179.2-590000112.2M225 L252 S256 I257 L274 M277 L278 I301 Y302 L303M225-V254 HydrophobicContact CE-CG1 4.15Å; L252-V254 HydrophobicContact CD2-CG1 4.1Å; L252-V254 HydrophobicContact CG-CG1 3.97Å; V254-S256 PolarHBondContact O-N 3.06Å; V254-I257 PolarHBondContact O-N 3.13Å; V254-L274 HydrophobicContact CB-CD2 4.15Å; V254-L274 HydrophobicContact CG2-CD1 4.3Å; V254-L274 HydrophobicContact CG2-CD2 3.98Å; V254-M277 HydrophobicContact CB-CE 4.06Å; V254-M277 HydrophobicContact CG1-CE 3.79Å; V254-L278 HydrophobicContact CG1-CD2 4.47Å; V254-I301 HydrophobicContact CB-CG2 4.38Å; V254-I301 HydrophobicContact CG1-CG2 3.9Å; V254-I301 HydrophobicContact CG2-CG2 3.52Å; V254-Y302 PolarHBondContact N-O 3.49Å; V254-Y302 VanDerWaalsContact N-O 3.13Å; V254-L303 HydrophobicContact CG2-CD1 4.1Å
255H96.4Very high92.4Very high0 Ų029.4 Ų29.40%017%0.167CC..THydrogen-bonded Turntrans-57-32.6-176.8-48.2-39.4000113.6Y302 L303 E304 W306 W335 P355 D362 R426H255-Y302 VanDerWaalsContact CE1-C 3.49Å; H255-Y302 PolarHBondContact CE1-O 3.2Å; H255-Y302 VanDerWaalsContact CE1-O 3.29Å; H255-Y302 PolarHBondContact ND1-O 2.97Å; H255-L303 VanDerWaalsContact CE1-CA 3.46Å; H255-L303 WeakPolarHBondContact CE1-CA 3.35Å; H255-L303 VanDerWaalsContact ND1-CA 3.31Å; H255-L303 WeakPolarHBondContact ND1-CA 3.17Å; H255-E304 IonicContact CD2-OE1 2.58Å; H255-E304 PolarHBondContact CE1-N 3.2Å; H255-E304 VanDerWaalsContact CE1-N 3.35Å; H255-E304 PolarHBondContact ND1-N 3.35Å; H255-W306 HydrophobicContact CB-CH2 4.4Å; H255-W306 HydrophobicContact CB-CZ2 4.39Å; H255-W335 AromaticContact NE2-CD1 3.78Å; H255-P355 WeakPolarHBondContact O-CB 3.48Å; H255-P355 VanDerWaalsContact O-CG 3.31Å; H255-P355 WeakPolarHBondContact O-CG 3.23Å; H255-D362 HydrophobicContact CB-CB 3.78Å; H255-R426 PolarHBondContact NE2-O 2.97Å
256S94.7Very high92.4Very high26 Ų2626.3 Ų26.318%0.18218%0.176CC..THydrogen-bonded Turntrans-83.5-11.3-17356.10000114.3D228 V254 P355D228-S256 WeakPolarHBondContact CB-O 3.49Å; V254-S256 PolarHBondContact O-N 3.06Å; S256-P355 WeakPolarHBondContact O-CG 3.27Å
257I96.8Very high92.7Very high5 Ų529.4 Ų29.43%0.02620%0.196CC..SBendtrans-78132.7-177.1-64.2-55.6000110.9M225 D228 I233 V254 L274 M277 H307 P355M225-I257 HydrophobicContact CE-CG1 4.4Å; M225-I257 HydrophobicContact CG-CD1 3.43Å; M225-I257 VanDerWaalsContact CG-CD1 3.43Å; M225-I257 HydrophobicContact CG-CG1 3.77Å; M225-I257 HydrophobicContact SD-CD1 4.19Å; D228-I257 HydrophobicContact CB-CD1 4.29Å; D228-I257 WeakPolarHBondContact OD1-CA 3.46Å; I233-I257 HydrophobicContact CD1-CD1 3.94Å; I233-I257 HydrophobicContact CG1-CD1 3.8Å; V254-I257 PolarHBondContact O-N 3.13Å; I257-L274 HydrophobicContact CB-CD2 3.68Å; I257-L274 HydrophobicContact CG1-CD2 4.48Å; I257-L274 HydrophobicContact CG2-CD2 3.71Å; I257-M277 HydrophobicContact CD1-SD 4.43Å; I257-M277 HydrophobicContact CG1-CE 4.15Å; I257-M277 HydrophobicContact CG1-SD 3.95Å; I257-M277 HydrophobicContact CG2-SD 4.13Å; I257-H307 PolarHBondContact O-NE2 2.93Å; I257-P355 WeakPolarHBondContact O-CG 3.45Å
258R96.9Very high93.2Very high37 Ų3734.1 Ų34.114%0.1422%0.219CC..PPolyproline II helixtrans-60.8142.2-178.572-171.768.2-1745.5112.6D228 Y263 S271 H356D228-R258 PolarHBondContact O-NH2 3.39Å; D228-R258 PolarHBondContact OD1-N 2.93Å; D228-R258 IonicContact OD1-NE 2.73Å; D228-R258 PolarHBondContact OD1-NE 2.89Å; D228-R258 IonicContact OD2-CZ 3.27Å; D228-R258 IonicContact OD2-NE 2.75Å; D228-R258 PolarHBondContact OD2-NE 3.47Å; D228-R258 IonicContact OD2-NH2 2.83Å; D228-R258 PolarHBondContact OD2-NH2 2.92Å; R258-Y263 PolarHBondContact NH1-O 3.37Å; R258-Y263 VanDerWaalsContact NH1-O 3.08Å; R258-S271 WeakPolarHBondContact CG-OG 3.47Å; R258-H356 HydrophobicContact CB-CB 4.09Å
259A97.2Very high93.6Very high0 Ų035.2 Ų35.20%023%0.23CC..PPolyproline II helixtrans-76.3167.3-178.600000112.8G261 S262 A308 D309 C354A259-G261 PolarHBondContact O-N 3.07Å; A259-S262 VanDerWaalsContact O-CB 3.23Å; A259-S262 WeakPolarHBondContact O-CB 3.3Å; A259-S262 PolarHBondContact O-N 3.13Å; A259-S262 PolarHBondContact O-OG 3.47Å; A259-A308 HydrophobicContact CB-CB 3.68Å; A259-D309 WeakPolarHBondContact CA-OD2 3.47Å; A259-C354 HydrophobicContact CB-CB 4.1Å; A259-C354 PolarHBondContact N-SG 2.55Å; A259-C354 VanDerWaalsContact N-SG 3.37Å
260T96Very high93.8Very high68 Ų6841.6 Ų41.642%0.41726%0.256SS..THydrogen-bonded Turntrans-53.1136.2176.1-48.80000111.6S262 G273 D309T260-S262 VanDerWaalsContact C-N 3.29Å; T260-S262 PolarHBondContact O-N 3.1Å; T260-G273 WeakPolarHBondContact OG1-CA 3.37Å; T260-D309 WeakPolarHBondContact CB-OD1 3.46Å; T260-D309 PolarHBondContact N-OD1 3.49Å; T260-D309 PolarHBondContact N-OD2 2.96Å; T260-D309 PolarHBondContact OG1-OD1 3.41Å; T260-D309 PolarHBondContact OG1-OD2 3.42Å
261G94.5Very high93.8Very high30 Ų3042.4 Ų42.431%0.30926%0.262SS..THydrogen-bonded Turntrans80.52.6-179.900000114.9A259 F270 S271A259-G261 PolarHBondContact O-N 3.07Å; G261-F270 WeakPolarHBondContact O-CD1 3.24Å; G261-S271 PolarHBondContact N-O 3.07Å
262S95.2Very high93.7Very high1 Ų148.3 Ų48.31%0.00729%0.293CS..  trans-75.7136.8176.9-56.20000111.9A259 T260 F270 S271 C354 R383A259-S262 VanDerWaalsContact O-CB 3.23Å; A259-S262 WeakPolarHBondContact O-CB 3.3Å; A259-S262 PolarHBondContact O-N 3.13Å; A259-S262 PolarHBondContact O-OG 3.47Å; T260-S262 VanDerWaalsContact C-N 3.29Å; T260-S262 PolarHBondContact O-N 3.1Å; S262-F270 CarbonylContact O-C 3.36Å; S262-F270 WeakPolarHBondContact O-CA 3.4Å; S262-S271 WeakPolarHBondContact O-CB 3.24Å; S262-S271 PolarHBondContact O-N 2.9Å; S262-C354 PolarHBondContact OG-SG 2.68Å; S262-R383 PolarHBondContact OG-NH2 3.49Å
263Y92.2Very high93.6Very high110 Ų11048.6 Ų48.643%0.43130%0.297SS..EExtended strand (participates in β ladder)trans-63.7143.4-176.2-176.2-112.3000112.7R258 A265 N268 F270R258-Y263 PolarHBondContact NH1-O 3.37Å; R258-Y263 VanDerWaalsContact NH1-O 3.08Å; Y263-A265 HydrophobicContact CD1-CB 4.48Å; Y263-A265 HydrophobicContact CE1-CB 3.95Å; Y263-N268 PolarHBondContact OH-OD1 3.16Å; Y263-N268 VanDerWaalsContact OH-OD1 3.08Å; Y263-F270 HydrophobicContact CD2-CE1 4.41Å
264I92.1Very high93.6Very high49 Ų4948.7 Ų48.725%0.25130%0.297SS..EExtended strand (participates in β ladder)trans-120.6101.3175-53.6176.5000108.3G266 T267 N268 G269I264-G266 VanDerWaalsContact C-N 3.29Å; I264-G266 PolarHBondContact O-N 3.41Å; I264-T267 VanDerWaalsContact CG2-OG1 3.31Å; I264-T267 WeakPolarHBondContact CG2-OG1 3.42Å; I264-T267 PolarHBondContact O-N 3.06Å; I264-N268 WeakPolarHBondContact O-CA 3.2Å; I264-N268 PolarHBondContact O-N 3.26Å; I264-G269 PolarHBondContact N-O 3.42Å
265A88Confident93.6Very high79 Ų7949.4 Ų49.465%0.65330%0.301SS*.THydrogen-bonded Turntrans-57.3-37.9-174.500000114Y263Y263-A265 HydrophobicContact CD1-CB 4.48Å; Y263-A265 HydrophobicContact CE1-CB 3.95Å
266G86.1Confident93.5Very high80 Ų8052.1 Ų52.183%0.82532%0.319SS*.THydrogen-bonded Turntrans-71.5-32.9-176.600000114.7I264I264-G266 VanDerWaalsContact C-N 3.29Å; I264-G266 PolarHBondContact O-N 3.41Å
267T88.2Confident93.6Very high105 Ų10551.8 Ų51.864%0.64431%0.314SS*.THydrogen-bonded Turntrans-105.6-3.5-178.356.60000113.2I264 G269I264-T267 VanDerWaalsContact CG2-OG1 3.31Å; I264-T267 WeakPolarHBondContact CG2-OG1 3.42Å; I264-T267 PolarHBondContact O-N 3.06Å; T267-G269 PolarHBondContact O-N 2.73Å; T267-G269 VanDerWaalsContact O-N 3.16Å
268N89.5Confident93.6Very high120 Ų12051.6 Ų51.664%0.64231%0.313SS*.THydrogen-bonded Turntrans51.132.4-171.6-165.933000112.7Y263 I264Y263-N268 PolarHBondContact OH-OD1 3.16Å; Y263-N268 VanDerWaalsContact OH-OD1 3.08Å; I264-N268 WeakPolarHBondContact O-CA 3.2Å; I264-N268 PolarHBondContact O-N 3.26Å
269G92.7Very high93.6Very high22 Ų2254.2 Ų54.223%0.22732%0.323CS..EExtended strand (participates in β ladder)trans-114.9-173.1-179.300000112.3I264 T267I264-G269 PolarHBondContact N-O 3.42Å; T267-G269 PolarHBondContact O-N 2.73Å; T267-G269 VanDerWaalsContact O-N 3.16Å
270F93.2Very high93.6Very high140 Ų14056.8 Ų56.861%0.61434%0.339SS*.EExtended strand (participates in β ladder)trans-116.8144.7175.3-60.4-80.5000110.3G261 S262 Y263G261-F270 WeakPolarHBondContact O-CD1 3.24Å; S262-F270 CarbonylContact O-C 3.36Å; S262-F270 WeakPolarHBondContact O-CA 3.4Å; Y263-F270 HydrophobicContact CD2-CE1 4.41Å
271S94.4Very high93.6Very high17 Ų1753.6 Ų53.612%0.11932%0.319CS..  trans-66141176.2-177.30000111.2R258 G261 S262 G273R258-S271 WeakPolarHBondContact CG-OG 3.47Å; G261-S271 PolarHBondContact N-O 3.07Å; S262-S271 WeakPolarHBondContact O-CB 3.24Å; S262-S271 PolarHBondContact O-N 2.9Å; S271-G273 PolarHBondContact O-N 3.32Å; S271-G273 PolarHBondContact OG-N 2.82Å
272N93.9Very high93.6Very high124 Ų12452.6 Ų52.666%0.66331%0.307SS*.  trans-84.43.2170.5-56.7-46.4000112.7P276N272-P276 HydrophobicContact CB-CB 4.49Å; N272-P276 HydrophobicContact CB-CG 3.82Å; N272-P276 VanDerWaalsContact O-CD 3.24Å; N272-P276 WeakPolarHBondContact O-CD 3.48Å
273G95.3Very high93.5Very high8 Ų856.8 Ų56.88%0.08233%0.329CS..  trans74.9-164.6175.900000115.2T260 S271 D309T260-G273 WeakPolarHBondContact OG1-CA 3.37Å; S271-G273 PolarHBondContact O-N 3.32Å; S271-G273 PolarHBondContact OG-N 2.82Å; G273-D309 VanDerWaalsContact CA-OD2 3.23Å; G273-D309 WeakPolarHBondContact CA-OD2 3.33Å
274L96.5Very high93.6Very high2 Ų252.6 Ų52.61%0.0132%0.315CS..Hα-helixtrans-68-41.5-174.4-72.7180000113.3V254 I257 M277 L278 L303 H307 D309V254-L274 HydrophobicContact CB-CD2 4.15Å; V254-L274 HydrophobicContact CG2-CD1 4.3Å; V254-L274 HydrophobicContact CG2-CD2 3.98Å; I257-L274 HydrophobicContact CB-CD2 3.68Å; I257-L274 HydrophobicContact CG1-CD2 4.48Å; I257-L274 HydrophobicContact CG2-CD2 3.71Å; L274-M277 HydrophobicContact CD2-CE 3.93Å; L274-M277 WeakPolarHBondContact O-CB 3.49Å; L274-M277 PolarHBondContact O-N 2.99Å; L274-M277 VanDerWaalsContact O-N 3.09Å; L274-L278 HydrophobicContact CB-CD1 4.44Å; L274-L278 WeakPolarHBondContact O-CG 3.45Å; L274-L278 PolarHBondContact O-N 3.39Å; L274-L303 HydrophobicContact CD1-CD1 3.7Å; L274-L303 HydrophobicContact CD1-CD2 3.64Å; L274-L303 HydrophobicContact CD1-CG 4.34Å; L274-H307 WeakPolarHBondContact CD1-CE1 3.25Å; L274-D309 HydrophobicContact CB-CB 4.23Å; L274-D309 HydrophobicContact CD1-CB 4.1Å; L274-D309 HydrophobicContact CG-CB 4.24Å; L274-D309 PolarHBondContact N-OD2 2.98Å
275L95Very high93.5Very high14 Ų1450.4 Ų50.47%0.07330%0.304CS..Hα-helixtrans-61.1-45.5-165.3-174.762.3000113.7M277 L278 R279 D312 A316 N325L275-M277 PolarHBondContact O-N 2.92Å; L275-L278 PolarHBondContact O-N 3.23Å; L275-R279 WeakPolarHBondContact O-CG 3.35Å; L275-R279 PolarHBondContact O-N 3.19Å; L275-R279 VanDerWaalsContact O-N 3.08Å; L275-D312 HydrophobicContact CD2-CB 4.33Å; L275-A316 HydrophobicContact CD1-CB 3.83Å; L275-N325 VanDerWaalsContact CD2-CA 3.44Å; L275-N325 HydrophobicContact CD2-CB 3.68Å
276P95.5Very high93.5Very high58 Ų5854.4 Ų54.438%0.37730%0.302SS..Hα-helixtrans-63.1-38174.2-25.338.2000113.3N272 R279 V280N272-P276 HydrophobicContact CB-CB 4.49Å; N272-P276 HydrophobicContact CB-CG 3.82Å; N272-P276 VanDerWaalsContact O-CD 3.24Å; N272-P276 WeakPolarHBondContact O-CD 3.48Å; P276-R279 PolarHBondContact O-N 3.31Å; P276-V280 PolarHBondContact O-N 2.69Å
277M96.8Very high93.7Very high18 Ų1860 Ų609%0.08930%0.3CS..Hα-helixtrans-61.3-47.8174.3-177.5-16775.800110.5M225 I233 V254 I257 L274 L275 R279 V280 F281M225-M277 HydrophobicContact CE-CE 4.1Å; M225-M277 HydrophobicContact CE-SD 3.99Å; I233-M277 HydrophobicContact CD1-SD 3.86Å; I233-M277 HydrophobicContact CG1-SD 3.9Å; I233-M277 HydrophobicContact CG2-CG 3.87Å; I233-M277 HydrophobicContact CG2-SD 3.95Å; V254-M277 HydrophobicContact CB-CE 4.06Å; V254-M277 HydrophobicContact CG1-CE 3.79Å; I257-M277 HydrophobicContact CD1-SD 4.43Å; I257-M277 HydrophobicContact CG1-CE 4.15Å; I257-M277 HydrophobicContact CG1-SD 3.95Å; I257-M277 HydrophobicContact CG2-SD 4.13Å; L274-M277 HydrophobicContact CD2-CE 3.93Å; L274-M277 WeakPolarHBondContact O-CB 3.49Å; L274-M277 PolarHBondContact O-N 2.99Å; L274-M277 VanDerWaalsContact O-N 3.09Å; L275-M277 PolarHBondContact O-N 2.92Å; M277-R279 PolarHBondContact O-N 3.3Å; M277-V280 WeakPolarHBondContact O-CB 3.3Å; M277-V280 PolarHBondContact O-N 3.49Å; M277-F281 HydrophobicContact CG-CD2 4.19Å; M277-F281 HydrophobicContact CG-CE2 3.97Å; M277-F281 WeakPolarHBondContact O-CD2 3.46Å; M277-F281 PolarHBondContact O-N 3.22Å; M277-F281 HydrophobicContact SD-CE2 4.35Å
278L97.2Very high93.5Very high1 Ų156.1 Ų56.11%0.00528%0.276CS..Hα-helixtrans-61.7-29.9179.3-65.5-177.6000112.5V254 L274 L275 V280 F281 N282 I301 F313 L330 Y332V254-L278 HydrophobicContact CG1-CD2 4.47Å; L274-L278 HydrophobicContact CB-CD1 4.44Å; L274-L278 WeakPolarHBondContact O-CG 3.45Å; L274-L278 PolarHBondContact O-N 3.39Å; L275-L278 PolarHBondContact O-N 3.23Å; L278-V280 VanDerWaalsContact C-N 3.31Å; L278-V280 PolarHBondContact O-N 3.04Å; L278-F281 PolarHBondContact O-N 3.42Å; L278-N282 WeakPolarHBondContact O-CB 3.33Å; L278-N282 PolarHBondContact O-N 2.5Å; L278-I301 HydrophobicContact CD2-CD1 4.31Å; L278-I301 HydrophobicContact CD2-CG1 4.08Å; L278-I301 HydrophobicContact CD2-CG2 3.78Å; L278-F313 HydrophobicContact CD1-CD2 4.01Å; L278-F313 HydrophobicContact CD1-CE2 4.44Å; L278-L330 HydrophobicContact CB-CD1 4.16Å; L278-L330 WeakPolarHBondContact O-CD1 3.26Å; L278-Y332 HydrophobicContact CD1-CE1 4.18Å
279R96Very high92.7Very high93 Ų9352.6 Ų52.635%0.35126%0.257SS..Hα-helixtrans-64.6-33.5172.3-72.4-178.864.7-154.8-3.1113.2L275 P276 M277 N282 N283 E324 R326 A327L275-R279 WeakPolarHBondContact O-CG 3.35Å; L275-R279 PolarHBondContact O-N 3.19Å; L275-R279 VanDerWaalsContact O-N 3.08Å; P276-R279 PolarHBondContact O-N 3.31Å; M277-R279 PolarHBondContact O-N 3.3Å; R279-N282 WeakPolarHBondContact O-CB 3.36Å; R279-N282 PolarHBondContact O-N 3.3Å; R279-N283 WeakPolarHBondContact O-CB 3.5Å; R279-N283 VanDerWaalsContact O-CG 3.27Å; R279-N283 PolarHBondContact O-N 2.77Å; R279-N283 PolarHBondContact O-ND2 2.82Å; R279-E324 WeakPolarHBondContact CD-O 3.13Å; R279-E324 PolarHBondContact NH1-O 2.92Å; R279-E324 VanDerWaalsContact NH1-O 3.12Å; R279-R326 WeakPolarHBondContact CG-O 3.46Å; R279-A327 HydrophobicContact CG-CB 4.4Å
280V96.8Very high91.4Very high53 Ų5352.1 Ų52.132%0.32125%0.249SC..Hα-helixtrans-65.8-44.2173.6-177.60000110.5L237 P276 M277 L278 N283 T284L237-V280 HydrophobicContact CD1-CG1 4.37Å; L237-V280 HydrophobicContact CD2-CG1 3.57Å; P276-V280 PolarHBondContact O-N 2.69Å; M277-V280 WeakPolarHBondContact O-CB 3.3Å; M277-V280 PolarHBondContact O-N 3.49Å; L278-V280 VanDerWaalsContact C-N 3.31Å; L278-V280 PolarHBondContact O-N 3.04Å; V280-N283 PolarHBondContact O-N 3.4Å; V280-T284 WeakPolarHBondContact O-CB 3.31Å; V280-T284 PolarHBondContact O-N 2.81Å; V280-T284 PolarHBondContact O-OG1 3.21Å
281F96.2Very high89.8Confident1 Ų148 Ų480%0.00425%0.246CC..Hα-helixtrans-63-40.9173.8-78.9-93.1000112M225 I233 T236 L237 C240 L252 M277 L278 T284 A285 L330M225-F281 HydrophobicContact CE-CE2 4.17Å; M225-F281 HydrophobicContact CE-CZ 3.92Å; I233-F281 HydrophobicContact CG2-CE2 4.21Å; T236-F281 HydrophobicContact CG2-CZ 4.49Å; L237-F281 HydrophobicContact CB-CE1 4.19Å; L237-F281 HydrophobicContact CB-CZ 4.01Å; L237-F281 HydrophobicContact CD1-CB 4.43Å; L237-F281 HydrophobicContact CD1-CD1 3.54Å; L237-F281 HydrophobicContact CD1-CD2 4.03Å; L237-F281 HydrophobicContact CD1-CE1 3.63Å; L237-F281 HydrophobicContact CD1-CE2 4.11Å; L237-F281 HydrophobicContact CD1-CG 3.75Å; L237-F281 HydrophobicContact CD1-CZ 3.92Å; C240-F281 HydrophobicContact CB-CE1 4.5Å; L252-F281 HydrophobicContact CD2-CD1 3.85Å; L252-F281 HydrophobicContact CD2-CE1 3.46Å; L252-F281 VanDerWaalsContact CD2-CE1 3.46Å; L252-F281 HydrophobicContact CD2-CZ 3.92Å; M277-F281 HydrophobicContact CG-CD2 4.19Å; M277-F281 HydrophobicContact CG-CE2 3.97Å; M277-F281 WeakPolarHBondContact O-CD2 3.46Å; M277-F281 PolarHBondContact O-N 3.22Å; M277-F281 HydrophobicContact SD-CE2 4.35Å; L278-F281 PolarHBondContact O-N 3.42Å; F281-T284 PolarHBondContact O-N 3.46Å; F281-A285 PolarHBondContact O-N 2.97Å; F281-L330 HydrophobicContact CB-CD1 4.3Å; F281-L330 HydrophobicContact CB-CD2 4.5Å
282N94.7Very high88.2Confident9 Ų949.9 Ų49.95%0.04827%0.268CS..Hα-helixtrans-58.5-50.3175.9-17392.9000111.4L278 R279 T284 A285 R286 A327 R328 D329 L330L278-N282 WeakPolarHBondContact O-CB 3.33Å; L278-N282 PolarHBondContact O-N 2.5Å; R279-N282 WeakPolarHBondContact O-CB 3.36Å; R279-N282 PolarHBondContact O-N 3.3Å; N282-T284 VanDerWaalsContact C-N 3.27Å; N282-T284 PolarHBondContact O-N 3.28Å; N282-A285 WeakPolarHBondContact O-CB 3.49Å; N282-A285 PolarHBondContact O-N 2.96Å; N282-R286 WeakPolarHBondContact O-CG 3.33Å; N282-R286 PolarHBondContact O-N 3.42Å; N282-R286 VanDerWaalsContact O-N 3.08Å; N282-A327 HydrophobicContact CB-CB 3.77Å; N282-A327 VanDerWaalsContact OD1-CA 3.3Å; N282-A327 WeakPolarHBondContact OD1-CA 3.44Å; N282-A327 PolarHBondContact OD1-O 2.8Å; N282-R328 PolarHBondContact OD1-N 3.41Å; N282-D329 PolarHBondContact ND2-OD2 3.49Å; N282-D329 WeakPolarHBondContact OD1-CA 3.17Å; N282-D329 VanDerWaalsContact OD1-CB 3.32Å; N282-D329 WeakPolarHBondContact OD1-CB 3.32Å; N282-D329 PolarHBondContact OD1-N 3.09Å; N282-D329 PolarHBondContact OD1-OD2 3.31Å; N282-L330 HydrophobicContact CB-CD1 4.06Å; N282-L330 HydrophobicContact CB-CD2 4.44Å; N282-L330 HydrophobicContact CB-CG 3.91Å; N282-L330 PolarHBondContact OD1-N 2.88Å
283N93.8Very high86.6Confident89 Ų8950 Ų5048%0.47627%0.269SS..Hα-helixtrans-65.2-33.5179.5-69.1-18.8000111.8R279 V280 R286 Y287R279-N283 WeakPolarHBondContact O-CB 3.5Å; R279-N283 VanDerWaalsContact O-CG 3.27Å; R279-N283 PolarHBondContact O-N 2.77Å; R279-N283 PolarHBondContact O-ND2 2.82Å; V280-N283 PolarHBondContact O-N 3.4Å; N283-R286 PolarHBondContact O-N 3.33Å; N283-Y287 WeakPolarHBondContact O-CB 3.34Å; N283-Y287 PolarHBondContact O-N 3.49Å
284T93.4Very high84.9Confident23 Ų2356.5 Ų56.514%0.14130%0.295CS..Hα-helixtrans-67.3-41.6173.8-59.80000111.9L237 A241 V280 F281 N282 R286 Y287 V288L237-T284 HydrophobicContact CD1-CG2 4.08Å; L237-T284 WeakPolarHBondContact CD1-OG1 3.2Å; A241-T284 HydrophobicContact CB-CG2 3.96Å; V280-T284 WeakPolarHBondContact O-CB 3.31Å; V280-T284 PolarHBondContact O-N 2.81Å; V280-T284 PolarHBondContact O-OG1 3.21Å; F281-T284 PolarHBondContact O-N 3.46Å; N282-T284 VanDerWaalsContact C-N 3.27Å; N282-T284 PolarHBondContact O-N 3.28Å; T284-R286 VanDerWaalsContact C-N 3.28Å; T284-R286 PolarHBondContact O-N 2.85Å; T284-Y287 PolarHBondContact O-N 2.89Å; T284-V288 HydrophobicContact CG2-CG2 4.41Å; T284-V288 PolarHBondContact O-N 3.21Å
285A90.9Very high83.2Confident2 Ų260.1 Ų60.12%0.01731%0.308CS..Hα-helixtrans-59.9-39.3175.100000111.8F281 N282 F299 L330F281-A285 PolarHBondContact O-N 2.97Å; N282-A285 WeakPolarHBondContact O-CB 3.49Å; N282-A285 PolarHBondContact O-N 2.96Å; A285-F299 HydrophobicContact CB-CD2 3.77Å; A285-F299 HydrophobicContact CB-CE1 4.49Å; A285-F299 HydrophobicContact CB-CE2 3.54Å; A285-F299 HydrophobicContact CB-CG 4.36Å; A285-F299 HydrophobicContact CB-CZ 3.94Å; A285-L330 HydrophobicContact CB-CD2 4.31Å
286R88.1Confident81.8Confident164 Ų16464.3 Ų64.362%0.61934%0.337SS*.Hα-helixtrans-69.9-38.7174.9-66.8179.773170.1-2.7113.3N282 N283 T284 D329N282-R286 WeakPolarHBondContact O-CG 3.33Å; N282-R286 PolarHBondContact O-N 3.42Å; N282-R286 VanDerWaalsContact O-N 3.08Å; N283-R286 PolarHBondContact O-N 3.33Å; T284-R286 VanDerWaalsContact C-N 3.28Å; T284-R286 PolarHBondContact O-N 2.85Å; R286-D329 WeakPolarHBondContact CD-OD2 3.18Å; R286-D329 HydrophobicContact CG-CB 4.04Å; R286-D329 IonicContact NE-OD2 2.74Å
287Y89.3Confident80.8Confident197 Ų19761.9 Ų61.977%0.77332%0.322SS*.Hα-helixtrans-72.4-38.2-178178.2-110.8000112.2N283 T284N283-Y287 WeakPolarHBondContact O-CB 3.34Å; N283-Y287 PolarHBondContact O-N 3.49Å; T284-Y287 PolarHBondContact O-N 2.89Å
288V85Confident80.3Confident24 Ų2461.8 Ų61.815%0.14532%0.324CS..SBendtrans-102.579.3-177.8-168.50000110.7A241 S244 K245 T284 Q290A241-V288 HydrophobicContact CB-CG2 4.29Å; S244-V288 PolarHBondContact OG-O 2.95Å; S244-V288 VanDerWaalsContact OG-O 3.05Å; K245-V288 HydrophobicContact CB-CG1 3.78Å; K245-V288 VanDerWaalsContact N-CG1 3.33Å; T284-V288 HydrophobicContact CG2-CG2 4.41Å; T284-V288 PolarHBondContact O-N 3.21Å; V288-Q290 PolarHBondContact O-N 3.25Å; V288-Q290 VanDerWaalsContact O-N 3.16Å
289D71.3Confident80.2Confident45 Ų4561.8 Ų61.824%0.24132%0.324CS..  trans-8761.9-174.170.1-17.8000114G291 G292 N293 R295D289-G291 VanDerWaalsContact C-N 3.28Å; D289-G291 PolarHBondContact O-N 2.87Å; D289-G292 PolarHBondContact O-N 3.32Å; D289-G292 VanDerWaalsContact O-N 3.17Å; D289-N293 PolarHBondContact O-N 2.9Å; D289-N293 PolarHBondContact OD2-N 3.26Å; D289-N293 PolarHBondContact OD2-ND2 2.97Å; D289-N293 PolarHBondContact OD2-OD1 3.08Å; D289-R295 CarbonylContact C-O 3.58Å
290Q66.1Low80.3Confident12 Ų1257.4 Ų57.46%0.05631%0.307CS..THydrogen-bonded Turntrans30.252.3172.3-47.2-164.8-19.700116.4S244 A247 G248 V288 R295S244-Q290 WeakPolarHBondContact O-CA 3.07Å; S244-Q290 WeakPolarHBondContact O-CG 3.17Å; A247-Q290 HydrophobicContact CB-CB 3.94Å; A247-Q290 HydrophobicContact CB-CG 4.49Å; G248-Q290 PolarHBondContact O-NE2 2.96Å; V288-Q290 PolarHBondContact O-N 3.25Å; V288-Q290 VanDerWaalsContact O-N 3.16Å; Q290-R295 HydrophobicContact CB-CB 4.08Å; Q290-R295 WeakPolarHBondContact CB-O 3.16Å; Q290-R295 HydrophobicContact CG-CB 4.3Å; Q290-R295 WeakPolarHBondContact CG-O 3.5Å
291G58.6Low80.4Confident54 Ų5454.9 Ų54.956%0.55729%0.292SS*.THydrogen-bonded Turntrans85.138.8172.600000115.9D289D289-G291 VanDerWaalsContact C-N 3.28Å; D289-G291 PolarHBondContact O-N 2.87Å
292G61Low80.5Confident57 Ų5754.8 Ų54.859%0.58829%0.292SS*.THydrogen-bonded Turntrans89.153.8171.300000112.7D289 K294D289-G292 PolarHBondContact O-N 3.32Å; D289-G292 VanDerWaalsContact O-N 3.17Å; G292-K294 PolarHBondContact O-N 3.1Å
293N61.5Low80.7Confident126 Ų12654.4 Ų54.467%0.67429%0.29SS*.THydrogen-bonded Turntrans6220.1-177.1-76-56.2000115.7D289 R295D289-N293 PolarHBondContact O-N 2.9Å; D289-N293 PolarHBondContact OD2-N 3.26Å; D289-N293 PolarHBondContact OD2-ND2 2.97Å; D289-N293 PolarHBondContact OD2-OD1 3.08Å; N293-R295 PolarHBondContact O-N 3.37Å
294K58.9Low80.9Confident144 Ų14450.1 Ų50.163%0.62627%0.267SS*.SBendtrans-60-37.9167.7-72-172.7-180-177.30110.2G292G292-K294 PolarHBondContact O-N 3.1Å
295R61.5Low81.1Confident79 Ų7949 Ų4930%0.29826%0.26SS..SBendtrans-154.2142.5173-72.9-174.8178.5176.8-4.4110.1S204 D289 Q290 N293S204-R295 PolarHBondContact OG-NH2 3.26Å; D289-R295 CarbonylContact C-O 3.58Å; Q290-R295 HydrophobicContact CB-CB 4.08Å; Q290-R295 WeakPolarHBondContact CB-O 3.16Å; Q290-R295 HydrophobicContact CG-CB 4.3Å; Q290-R295 WeakPolarHBondContact CG-O 3.5Å; N293-R295 PolarHBondContact O-N 3.37Å
296P65.9Low81.5Confident102 Ų10249 Ų4966%0.66226%0.259SS*.  trans-62.1143.8170.1-2132.8000111.2A298P296-A298 PolarHBondContact O-N 2.98Å
297G73.1Confident82Confident7 Ų741.1 Ų41.17%0.07223%0.23CC..  trans-60.9126.9169.300000109.9
298A88.2Confident82.4Confident16 Ų1632.9 Ų32.913%0.13220%0.202CC..  trans-131.3112.8-171.700000111.2I250 P296 F331 L430I250-A298 PolarHBondContact N-O 2.93Å; I250-A298 VanDerWaalsContact N-O 3.16Å; P296-A298 PolarHBondContact O-N 2.98Å; A298-F331 HydrophobicContact CB-CD2 4.41Å; A298-F331 HydrophobicContact CB-CE2 3.91Å; A298-L430 HydrophobicContact CB-CD1 3.99Å; A298-L430 HydrophobicContact CB-CD2 3.6Å; A298-L430 HydrophobicContact CB-CG 4.47Å
299F94.9Very high83Confident1 Ų132.1 Ų32.10%0.00420%0.198CC..EExtended strand (participates in β ladder)trans-117.3127.6179.3-47.5-25000109.5C240 I250 A285 I301 L330 F331C240-F299 HydrophobicContact CB-CE2 4.47Å; C240-F299 HydrophobicContact CB-CZ 4.34Å; I250-F299 HydrophobicContact CB-CB 4.45Å; I250-F299 HydrophobicContact CB-CD1 3.73Å; I250-F299 HydrophobicContact CB-CE1 4.42Å; I250-F299 HydrophobicContact CB-CG 4.34Å; I250-F299 HydrophobicContact CD1-CD1 3.76Å; I250-F299 HydrophobicContact CD1-CE1 3.56Å; I250-F299 HydrophobicContact CD1-CZ 4.27Å; I250-F299 HydrophobicContact CG1-CD1 3.89Å; I250-F299 HydrophobicContact CG1-CE1 4.09Å; I250-F299 CarbonylContact O-C 3.5Å; I250-F299 WeakPolarHBondContact O-CA 3.4Å; A285-F299 HydrophobicContact CB-CD2 3.77Å; A285-F299 HydrophobicContact CB-CE1 4.49Å; A285-F299 HydrophobicContact CB-CE2 3.54Å; A285-F299 HydrophobicContact CB-CG 4.36Å; A285-F299 HydrophobicContact CB-CZ 3.94Å; F299-I301 HydrophobicContact CB-CD1 4.36Å; F299-L330 HydrophobicContact CB-CD2 3.91Å; F299-L330 HydrophobicContact CD2-CD2 3.84Å; F299-L330 HydrophobicContact CG-CD2 4.28Å; F299-F331 PolarHBondContact O-N 3.44Å
300A97.3Very high84.3Confident0 Ų030 Ų300%019%0.186CC..EExtended strand (participates in β ladder)trans-96.6119166.900000109.7I250 G251 L252 Y302 F331 F406 L430I250-A300 PolarHBondContact O-N 3.04Å; G251-A300 CarbonylContact C-O 3.34Å; G251-A300 WeakPolarHBondContact CA-O 3.19Å; L252-A300 PolarHBondContact N-O 2.81Å; A300-Y302 HydrophobicContact CB-CE2 3.92Å; A300-F331 CarbonylContact C-O 3.55Å; A300-F331 WeakPolarHBondContact CA-O 3.47Å; A300-F331 HydrophobicContact CB-CB 4.12Å; A300-F406 HydrophobicContact CB-CE2 4.25Å; A300-L430 HydrophobicContact CB-CD1 4.04Å
301I98.2Very high85.7Confident0 Ų031 Ų310%019%0.19CC..EExtended strand (participates in β ladder)trans-92127.4177.4-48.3-57.2000108.5L252 V254 L278 F299 F313 L330 F331 A333L252-I301 HydrophobicContact CB-CD1 4.21Å; L252-I301 HydrophobicContact CD2-CD1 4.15Å; L252-I301 CarbonylContact O-C 3.48Å; L252-I301 WeakPolarHBondContact O-CA 3Å; V254-I301 HydrophobicContact CB-CG2 4.38Å; V254-I301 HydrophobicContact CG1-CG2 3.9Å; V254-I301 HydrophobicContact CG2-CG2 3.52Å; L278-I301 HydrophobicContact CD2-CD1 4.31Å; L278-I301 HydrophobicContact CD2-CG1 4.08Å; L278-I301 HydrophobicContact CD2-CG2 3.78Å; F299-I301 HydrophobicContact CB-CD1 4.36Å; I301-F313 HydrophobicContact CB-CE2 4.07Å; I301-F313 HydrophobicContact CG2-CE2 3.74Å; I301-F313 HydrophobicContact CG2-CZ 4.5Å; I301-F313 WeakPolarHBondContact O-CZ 3.36Å; I301-L330 HydrophobicContact CD1-CD1 4.36Å; I301-L330 HydrophobicContact CG1-CB 4.37Å; I301-L330 HydrophobicContact CG1-CD1 3.97Å; I301-F331 PolarHBondContact N-O 2.8Å; I301-A333 PolarHBondContact O-N 2.86Å
302Y98.5Very high87.5Confident0 Ų031.6 Ų31.60%018%0.181CC..EExtended strand (participates in β ladder)trans-103.2130.5178-76.6-101.2000110.3L252 V254 H255 A300 A333 W335 V408 C427 S428 N429 T432L252-Y302 PolarHBondContact O-N 3.27Å; V254-Y302 PolarHBondContact N-O 3.49Å; V254-Y302 VanDerWaalsContact N-O 3.13Å; H255-Y302 VanDerWaalsContact CE1-C 3.49Å; H255-Y302 PolarHBondContact CE1-O 3.2Å; H255-Y302 VanDerWaalsContact CE1-O 3.29Å; H255-Y302 PolarHBondContact ND1-O 2.97Å; A300-Y302 HydrophobicContact CB-CE2 3.92Å; Y302-A333 WeakPolarHBondContact CA-O 3.24Å; Y302-A333 HydrophobicContact CD1-CB 3.57Å; Y302-A333 HydrophobicContact CD2-CB 4.06Å; Y302-A333 HydrophobicContact CE1-CB 3.39Å; Y302-A333 HydrophobicContact CE2-CB 3.89Å; Y302-A333 HydrophobicContact CG-CB 3.89Å; Y302-W335 HydrophobicContact CD1-CB 4.42Å; Y302-W335 HydrophobicContact CD1-CE3 4.09Å; Y302-W335 HydrophobicContact CE1-CE3 4.28Å; Y302-V408 HydrophobicContact CE1-CB 4.45Å; Y302-V408 HydrophobicContact CE1-CG2 3.99Å; Y302-C427 HydrophobicContact CD1-CB 3.85Å; Y302-C427 HydrophobicContact CD2-CB 3.7Å; Y302-C427 HydrophobicContact CE1-CB 4.47Å; Y302-C427 HydrophobicContact CE2-CB 4.36Å; Y302-C427 HydrophobicContact CG-CB 3.43Å; Y302-C427 VanDerWaalsContact CG-CB 3.43Å; Y302-S428 WeakPolarHBondContact CE2-O 3.41Å; Y302-S428 WeakPolarHBondContact OH-CB 3.41Å; Y302-N429 PolarHBondContact OH-O 3.48Å; Y302-T432 WeakPolarHBondContact OH-CG2 3.48Å
303L98.6Very high89.2Confident0 Ų029.1 Ų29.10%015%0.154CC..EExtended strand (participates in β ladder)trans-134.5136.9175.3-167.462.2000111.4V254 H255 L274 H307 I310 F313 A333 L334 W335V254-L303 HydrophobicContact CG2-CD1 4.1Å; H255-L303 VanDerWaalsContact CE1-CA 3.46Å; H255-L303 WeakPolarHBondContact CE1-CA 3.35Å; H255-L303 VanDerWaalsContact ND1-CA 3.31Å; H255-L303 WeakPolarHBondContact ND1-CA 3.17Å; L274-L303 HydrophobicContact CD1-CD1 3.7Å; L274-L303 HydrophobicContact CD1-CD2 3.64Å; L274-L303 HydrophobicContact CD1-CG 4.34Å; L303-H307 HydrophobicContact CD1-CB 3.69Å; L303-H307 HydrophobicContact CD2-CB 4.05Å; L303-H307 HydrophobicContact CG-CB 3.88Å; L303-I310 HydrophobicContact CD2-CD1 3.9Å; L303-I310 HydrophobicContact CG-CD1 4.36Å; L303-F313 HydrophobicContact CB-CD1 4.23Å; L303-F313 HydrophobicContact CB-CD2 4.02Å; L303-F313 HydrophobicContact CB-CE1 3.93Å; L303-F313 HydrophobicContact CB-CE2 3.69Å; L303-F313 HydrophobicContact CB-CG 4.26Å; L303-F313 HydrophobicContact CB-CZ 3.63Å; L303-F313 HydrophobicContact CD2-CB 3.69Å; L303-F313 HydrophobicContact CD2-CD1 4.06Å; L303-F313 HydrophobicContact CD2-CD2 3.66Å; L303-F313 HydrophobicContact CD2-CE2 4.22Å; L303-F313 HydrophobicContact CD2-CG 3.55Å; L303-F313 HydrophobicContact CG-CD2 4.47Å; L303-A333 PolarHBondContact N-O 3.32Å; L303-L334 WeakPolarHBondContact O-CA 3.5Å; L303-W335 PolarHBondContact O-N 2.71Å
304E98.6Very high90.9Very high0 Ų023.2 Ų23.20%012%0.122CC..  trans-78.9141170.7-60.7-161.8-154.100111.2H255 W306 H307 W335 K410H255-E304 IonicContact CD2-OE1 2.58Å; H255-E304 PolarHBondContact CE1-N 3.2Å; H255-E304 VanDerWaalsContact CE1-N 3.35Å; H255-E304 PolarHBondContact ND1-N 3.35Å; E304-W306 HydrophobicContact CB-CD2 4.26Å; E304-W306 HydrophobicContact CB-CG 4.31Å; E304-W306 HydrophobicContact CB-CZ2 3.95Å; E304-W306 VanDerWaalsContact CD-NE1 3.33Å; E304-W306 HydrophobicContact CG-CZ2 4.27Å; E304-W306 PolarHBondContact O-N 3.12Å; E304-W306 PolarHBondContact OE2-NE1 3.13Å; E304-H307 WeakPolarHBondContact O-CB 3.48Å; E304-H307 PolarHBondContact O-N 3.14Å; E304-W335 WeakPolarHBondContact CA-O 3.46Å; E304-W335 HydrophobicContact CG-CB 4.08Å; E304-W335 HydrophobicContact CG-CG 4.39Å; E304-W335 WeakPolarHBondContact CG-O 3.02Å; E304-K410 IonicContact OE1-NZ 3.88Å; E304-K410 PolarHBondContact OE1-NZ 2.72Å; E304-K410 IonicContact OE2-NZ 3.17Å; E304-K410 PolarHBondContact OE2-NZ 3.49Å
305P98.3Very high92.7Very high0 Ų018.8 Ų18.80%010%0.104CC..THydrogen-bonded Turntrans-70.7-5.8-170.428.5-35.9000114.9H307 W335 P337 F340 W350 L391P305-H307 VanDerWaalsContact C-N 3.33Å; P305-W335 VanDerWaalsContact CD-O 3.26Å; P305-W335 WeakPolarHBondContact CD-O 3.31Å; P305-P337 HydrophobicContact CG-CG 4.49Å; P305-F340 HydrophobicContact CB-CD1 4.12Å; P305-F340 HydrophobicContact CB-CD2 4.46Å; P305-F340 HydrophobicContact CB-CE1 4.12Å; P305-F340 HydrophobicContact CB-CE2 4.49Å; P305-F340 HydrophobicContact CB-CG 4.27Å; P305-F340 HydrophobicContact CB-CZ 4.3Å; P305-F340 HydrophobicContact CG-CB 4.12Å; P305-F340 HydrophobicContact CG-CD1 3.82Å; P305-F340 HydrophobicContact CG-CD2 4.44Å; P305-F340 HydrophobicContact CG-CE1 4.31Å; P305-F340 HydrophobicContact CG-CG 3.87Å; P305-W350 HydrophobicContact CG-CZ2 4.31Å; P305-W350 PolarHBondContact O-NE1 3.38Å; P305-L391 HydrophobicContact CB-CD2 4.07Å; P305-L391 VanDerWaalsContact O-CD2 3.28Å; P305-L391 WeakPolarHBondContact O-CD2 3.48Å
306W98.3Very high94.3Very high0 Ų015 Ų150%09%0.09CC..THydrogen-bonded Turntrans-81-12.7171.452-100.8000112.9H255 E304 A308 W350 L352 M353 P355 L361 D362 F369 Y373H255-W306 HydrophobicContact CB-CH2 4.4Å; H255-W306 HydrophobicContact CB-CZ2 4.39Å; E304-W306 HydrophobicContact CB-CD2 4.26Å; E304-W306 HydrophobicContact CB-CG 4.31Å; E304-W306 HydrophobicContact CB-CZ2 3.95Å; E304-W306 VanDerWaalsContact CD-NE1 3.33Å; E304-W306 HydrophobicContact CG-CZ2 4.27Å; E304-W306 PolarHBondContact O-N 3.12Å; E304-W306 PolarHBondContact OE2-NE1 3.13Å; W306-A308 PolarHBondContact O-N 3.08Å; W306-W350 HydrophobicContact CB-CZ2 3.69Å; W306-L352 CarbonylContact O-C 3.33Å; W306-L352 VanDerWaalsContact O-CA 3.28Å; W306-L352 WeakPolarHBondContact O-CA 3.23Å; W306-M353 HydrophobicContact CE3-CB 4.36Å; W306-M353 PolarHBondContact O-N 3.1Å; W306-P355 HydrophobicContact CH2-CB 4.27Å; W306-P355 HydrophobicContact CZ3-CB 4.27Å; W306-L361 HydrophobicContact CD2-CB 4.47Å; W306-L361 HydrophobicContact CD2-CD1 3.92Å; W306-L361 HydrophobicContact CE3-CD1 3.97Å; W306-L361 HydrophobicContact CG-CD1 4.42Å; W306-L361 HydrophobicContact CH2-CB 4.11Å; W306-L361 HydrophobicContact CZ2-CB 3.66Å; W306-L361 HydrophobicContact CZ2-CD1 4.47Å; W306-L361 HydrophobicContact CZ3-CD1 4.29Å; W306-D362 HydrophobicContact CZ2-CB 4.48Å; W306-F369 AromaticContact CD1-CE2 3.83Å; W306-F369 AromaticContact CD1-CZ 3.59Å; W306-F369 AromaticContact NE1-CE2 3.58Å; W306-F369 AromaticContact NE1-CZ 3.85Å; W306-Y373 HydrophobicContact CB-CD2 4.42Å; W306-Y373 HydrophobicContact CB-CE2 3.82Å
307H98.5Very high95.7Very high0 Ų011.7 Ų11.70%06%0.064CC..BIsolated β-bridgetrans-65.3136-176.3-170.8-84.1000111.9I257 L274 L303 E304 P305 D309 I310I257-H307 PolarHBondContact O-NE2 2.93Å; L274-H307 WeakPolarHBondContact CD1-CE1 3.25Å; L303-H307 HydrophobicContact CD1-CB 3.69Å; L303-H307 HydrophobicContact CD2-CB 4.05Å; L303-H307 HydrophobicContact CG-CB 3.88Å; E304-H307 WeakPolarHBondContact O-CB 3.48Å; E304-H307 PolarHBondContact O-N 3.14Å; P305-H307 VanDerWaalsContact C-N 3.33Å; H307-D309 VanDerWaalsContact C-N 3.29Å; H307-D309 IonicContact CE1-OD2 2.68Å; H307-D309 PolarHBondContact ND1-N 3.11Å; H307-D309 VanDerWaalsContact ND1-N 3.11Å; H307-D309 PolarHBondContact O-N 3.45Å; H307-I310 WeakPolarHBondContact O-CB 3.45Å; H307-I310 VanDerWaalsContact O-CG2 3.28Å; H307-I310 WeakPolarHBondContact O-CG2 3.24Å; H307-I310 PolarHBondContact O-N 3.32Å
308A98Very high96.6Very high23 Ų2313.1 Ų13.119%0.197%0.068CC..THydrogen-bonded Turntrans-64.7-26.7-172.800000115.7A259 W306 I310 L352 M353 R383A259-A308 HydrophobicContact CB-CB 3.68Å; W306-A308 PolarHBondContact O-N 3.08Å; A308-I310 VanDerWaalsContact C-N 3.28Å; A308-I310 PolarHBondContact O-N 2.86Å; A308-L352 HydrophobicContact CB-CB 4.31Å; A308-M353 PolarHBondContact N-O 2.93Å; A308-R383 HydrophobicContact CB-CB 4.14Å; A308-R383 HydrophobicContact CB-CG 4.14Å
309D97.8Very high96.6Very high9 Ų918.4 Ų18.45%0.0489%0.094CC..THydrogen-bonded Turntrans-85.414.7174.1-62.7-23.8000114A259 T260 G273 L274 H307 F311 D312 F313A259-D309 WeakPolarHBondContact CA-OD2 3.47Å; T260-D309 WeakPolarHBondContact CB-OD1 3.46Å; T260-D309 PolarHBondContact N-OD1 3.49Å; T260-D309 PolarHBondContact N-OD2 2.96Å; T260-D309 PolarHBondContact OG1-OD1 3.41Å; T260-D309 PolarHBondContact OG1-OD2 3.42Å; G273-D309 VanDerWaalsContact CA-OD2 3.23Å; G273-D309 WeakPolarHBondContact CA-OD2 3.33Å; L274-D309 HydrophobicContact CB-CB 4.23Å; L274-D309 HydrophobicContact CD1-CB 4.1Å; L274-D309 HydrophobicContact CG-CB 4.24Å; L274-D309 PolarHBondContact N-OD2 2.98Å; H307-D309 VanDerWaalsContact C-N 3.29Å; H307-D309 IonicContact CE1-OD2 2.68Å; H307-D309 PolarHBondContact ND1-N 3.11Å; H307-D309 VanDerWaalsContact ND1-N 3.11Å; H307-D309 PolarHBondContact O-N 3.45Å; D309-F311 VanDerWaalsContact C-N 3.32Å; D309-F311 PolarHBondContact O-N 3.21Å; D309-D312 PolarHBondContact O-N 2.86Å; D309-F313 PolarHBondContact O-N 3.23Å
310I98Very high96.4Very high0 Ų022.8 Ų22.80%012%0.121CC..Hα-helixtrans-58.7-36.9-173.5-172.961.1000113.7L303 H307 A308 F313 L314 L334 L352 L391L303-I310 HydrophobicContact CD2-CD1 3.9Å; L303-I310 HydrophobicContact CG-CD1 4.36Å; H307-I310 WeakPolarHBondContact O-CB 3.45Å; H307-I310 VanDerWaalsContact O-CG2 3.28Å; H307-I310 WeakPolarHBondContact O-CG2 3.24Å; H307-I310 PolarHBondContact O-N 3.32Å; A308-I310 VanDerWaalsContact C-N 3.28Å; A308-I310 PolarHBondContact O-N 2.86Å; I310-F313 HydrophobicContact CD1-CD1 4.15Å; I310-F313 WeakPolarHBondContact O-CB 3.48Å; I310-F313 PolarHBondContact O-N 3.01Å; I310-L314 HydrophobicContact CG1-CD1 4.39Å; I310-L314 VanDerWaalsContact O-CG 3.28Å; I310-L314 WeakPolarHBondContact O-CG 3.41Å; I310-L314 PolarHBondContact O-N 2.96Å; I310-L334 HydrophobicContact CD1-CD2 3.71Å; I310-L352 HydrophobicContact CG2-CD1 4.07Å; I310-L352 HydrophobicContact CG2-CD2 3.71Å; I310-L391 HydrophobicContact CG1-CD1 3.86Å; I310-L391 HydrophobicContact CG1-CD2 4.29Å; I310-L391 HydrophobicContact CG2-CD1 3.82Å; I310-L391 HydrophobicContact CG2-CD2 4.13Å
311F97.2Very high95.9Very high33 Ų3325.2 Ų25.215%0.14515%0.146CC..Hα-helixtrans-66.9-41.1179.1-75.5-81000112.3D309 F313 L314 H315 L352 L386 L391 A394D309-F311 VanDerWaalsContact C-N 3.32Å; D309-F311 PolarHBondContact O-N 3.21Å; F311-F313 VanDerWaalsContact C-N 3.33Å; F311-L314 PolarHBondContact O-N 2.75Å; F311-H315 VanDerWaalsContact O-CG 3.25Å; F311-H315 PolarHBondContact O-N 2.89Å; F311-H315 VanDerWaalsContact O-N 3.11Å; F311-H315 PolarHBondContact O-ND1 3.3Å; F311-L352 HydrophobicContact CD2-CD1 4.18Å; F311-L352 HydrophobicContact CE2-CD1 3.99Å; F311-L386 HydrophobicContact CE2-CD2 3.58Å; F311-L386 HydrophobicContact CZ-CD2 3.98Å; F311-L391 HydrophobicContact CE1-CD1 4.12Å; F311-L391 HydrophobicContact CE2-CD1 4.31Å; F311-L391 HydrophobicContact CZ-CB 4.35Å; F311-L391 HydrophobicContact CZ-CD1 4.01Å; F311-A394 HydrophobicContact CD1-CB 3.97Å; F311-A394 HydrophobicContact CE1-CB 3.73Å
312D95.6Very high95.5Very high67 Ų6732.8 Ų32.836%0.35818%0.179SC..Hα-helixtrans-67.9-37.1176.7-71.3-34.4000111.3L275 D309 H315 A316L275-D312 HydrophobicContact CD2-CB 4.33Å; D309-D312 PolarHBondContact O-N 2.86Å; D312-H315 PolarHBondContact O-N 3.36Å; D312-A316 PolarHBondContact O-N 3.43Å
313F97.2Very high95Very high5 Ų537.8 Ų37.82%0.02221%0.206CC..Hα-helixtrans-58.5-46.3172.1179-90.2000112.1L278 I301 L303 D309 I310 F311 H315 A316 Y332 L334L278-F313 HydrophobicContact CD1-CD2 4.01Å; L278-F313 HydrophobicContact CD1-CE2 4.44Å; I301-F313 HydrophobicContact CB-CE2 4.07Å; I301-F313 HydrophobicContact CG2-CE2 3.74Å; I301-F313 HydrophobicContact CG2-CZ 4.5Å; I301-F313 WeakPolarHBondContact O-CZ 3.36Å; L303-F313 HydrophobicContact CB-CD1 4.23Å; L303-F313 HydrophobicContact CB-CD2 4.02Å; L303-F313 HydrophobicContact CB-CE1 3.93Å; L303-F313 HydrophobicContact CB-CE2 3.69Å; L303-F313 HydrophobicContact CB-CG 4.26Å; L303-F313 HydrophobicContact CB-CZ 3.63Å; L303-F313 HydrophobicContact CD2-CB 3.69Å; L303-F313 HydrophobicContact CD2-CD1 4.06Å; L303-F313 HydrophobicContact CD2-CD2 3.66Å; L303-F313 HydrophobicContact CD2-CE2 4.22Å; L303-F313 HydrophobicContact CD2-CG 3.55Å; L303-F313 HydrophobicContact CG-CD2 4.47Å; D309-F313 PolarHBondContact O-N 3.23Å; I310-F313 HydrophobicContact CD1-CD1 4.15Å; I310-F313 WeakPolarHBondContact O-CB 3.48Å; I310-F313 PolarHBondContact O-N 3.01Å; F311-F313 VanDerWaalsContact C-N 3.33Å; F313-H315 VanDerWaalsContact C-N 3.28Å; F313-H315 PolarHBondContact O-N 3.4Å; F313-A316 WeakPolarHBondContact O-CB 3.47Å; F313-A316 PolarHBondContact O-N 3.45Å; F313-Y332 HydrophobicContact CD1-CD1 4.16Å; F313-Y332 AromaticContact CD2-CD1 3.78Å; F313-Y332 HydrophobicContact CD2-CD1 3.78Å; F313-Y332 HydrophobicContact CD2-CE1 4.07Å; F313-Y332 AromaticContact CE1-CD1 3.88Å; F313-Y332 HydrophobicContact CE1-CD1 3.88Å; F313-Y332 HydrophobicContact CE1-CG 4.44Å; F313-Y332 AromaticContact CE2-CD1 3.49Å; F313-Y332 HydrophobicContact CE2-CD1 3.49Å; F313-Y332 VanDerWaalsContact CE2-CD1 3.49Å; F313-Y332 HydrophobicContact CE2-CE1 4.05Å; F313-Y332 HydrophobicContact CG-CD1 4.13Å; F313-Y332 AromaticContact CZ-CD1 3.55Å; F313-Y332 HydrophobicContact CZ-CD1 3.55Å; F313-Y332 HydrophobicContact CZ-CG 4.28Å; F313-L334 HydrophobicContact CD1-CD2 4.41Å; F313-L334 HydrophobicContact CE1-CD2 4.02Å
314L97.1Very high94.6Very high2 Ų244.2 Ų44.21%0.0124%0.236CC..Hα-helixtrans-63.3-33.2176.7-68.1172.7000112.4I310 F311 L334 L391 A394 I395 S398 P405I310-L314 HydrophobicContact CG1-CD1 4.39Å; I310-L314 VanDerWaalsContact O-CG 3.28Å; I310-L314 WeakPolarHBondContact O-CG 3.41Å; I310-L314 PolarHBondContact O-N 2.96Å; F311-L314 PolarHBondContact O-N 2.75Å; L314-L334 HydrophobicContact CD2-CD2 4.41Å; L314-L391 HydrophobicContact CD1-CD1 3.82Å; L314-A394 HydrophobicContact CD1-CB 3.99Å; L314-I395 HydrophobicContact CD1-CG1 3.78Å; L314-I395 HydrophobicContact CD2-CG1 4.03Å; L314-S398 PolarHBondContact O-OG 3.31Å; L314-P405 HydrophobicContact CD2-CG 3.59Å
315H95.5Very high94.2Very high51 Ų5147.3 Ų47.324%0.23625%0.252CS..Hα-helixtrans-83.2-13.9-179.5-64.4158000114.4F311 D312 F313 K317 R318 R326F311-H315 VanDerWaalsContact O-CG 3.25Å; F311-H315 PolarHBondContact O-N 2.89Å; F311-H315 VanDerWaalsContact O-N 3.11Å; F311-H315 PolarHBondContact O-ND1 3.3Å; D312-H315 PolarHBondContact O-N 3.36Å; F313-H315 VanDerWaalsContact C-N 3.28Å; F313-H315 PolarHBondContact O-N 3.4Å; H315-K317 VanDerWaalsContact C-N 3.25Å; H315-K317 PolarHBondContact O-N 2.94Å; H315-R318 WeakPolarHBondContact O-CB 3.15Å; H315-R318 PolarHBondContact O-N 2.9Å; H315-R318 VanDerWaalsContact O-N 3.1Å; H315-R326 WeakPolarHBondContact O-CD 3.38Å; H315-R326 PolarHBondContact O-NE 3.44Å; H315-R326 PolarHBondContact O-NH1 2.97Å
316A95.6Very high94Very high0 Ų048.9 Ų48.90%026%0.258CS..THydrogen-bonded Turntrans-64.6-25.1-168.700000114.3L275 D312 F313 R326 A327 Y332L275-A316 HydrophobicContact CD1-CB 3.83Å; D312-A316 PolarHBondContact O-N 3.43Å; F313-A316 WeakPolarHBondContact O-CB 3.47Å; F313-A316 PolarHBondContact O-N 3.45Å; A316-R326 WeakPolarHBondContact O-CA 3.24Å; A316-R326 WeakPolarHBondContact O-CD 3.46Å; A316-A327 PolarHBondContact O-N 3.24Å; A316-Y332 HydrophobicContact CB-CE1 3.71Å; A316-Y332 HydrophobicContact CB-CE2 4.26Å; A316-Y332 VanDerWaalsContact CB-CZ 3.47Å; A316-Y332 WeakPolarHBondContact CB-OH 3.48Å
317K94.6Very high93.8Very high31 Ų3148.9 Ų48.914%0.13526%0.258CS..THydrogen-bonded Turntrans-93-9.6176.9-148.7-172.7176.273.60114.4H315 R328 L330 Y332 T402 T404H315-K317 VanDerWaalsContact C-N 3.25Å; H315-K317 PolarHBondContact O-N 2.94Å; K317-R328 PolarHBondContact NZ-O 3.08Å; K317-L330 PolarHBondContact NZ-O 2.86Å; K317-Y332 HydrophobicContact CB-CD2 3.74Å; K317-Y332 HydrophobicContact CB-CE2 3.72Å; K317-Y332 HydrophobicContact CD-CD2 4.12Å; K317-Y332 HydrophobicContact CG-CD2 4.09Å; K317-Y332 HydrophobicContact CG-CE2 4.06Å; K317-T402 HydrophobicContact CB-CG2 4.38Å; K317-T404 HydrophobicContact CD-CG2 4.4Å; K317-T404 VanDerWaalsContact CD-OG1 3.25Å; K317-T404 WeakPolarHBondContact CD-OG1 3.47Å
318R93Very high93.6Very high38 Ų3852.6 Ų52.614%0.14327%0.272CS..  trans-59.7141.9-176.1-67.9177.777.4163.610.3110.7H315 R326 R328 E397 E401 T402H315-R318 WeakPolarHBondContact O-CB 3.15Å; H315-R318 PolarHBondContact O-N 2.9Å; H315-R318 VanDerWaalsContact O-N 3.1Å; R318-R326 VanDerWaalsContact O-CD 3.3Å; R318-R326 WeakPolarHBondContact O-CD 3.47Å; R318-R326 PolarHBondContact O-NE 3.3Å; R318-R328 PolarHBondContact O-NE 2.81Å; R318-R328 VanDerWaalsContact O-NE 3.13Å; R318-E397 IonicContact CZ-OE1 3.63Å; R318-E397 IonicContact NH1-OE1 3.25Å; R318-E397 PolarHBondContact NH1-OE1 2.96Å; R318-E397 VanDerWaalsContact NH1-OE1 3.16Å; R318-E397 IonicContact NH2-OE1 3.05Å; R318-E397 PolarHBondContact NH2-OE1 2.87Å; R318-E401 IonicContact CZ-OE1 3.77Å; R318-E401 IonicContact CZ-OE2 2.78Å; R318-E401 VanDerWaalsContact CZ-OE2 3.26Å; R318-E401 IonicContact NE-OE1 3.63Å; R318-E401 IonicContact NE-OE2 2.79Å; R318-E401 PolarHBondContact NE-OE2 3.41Å; R318-E401 VanDerWaalsContact NH2-CD 3.25Å; R318-E401 IonicContact NH2-OE1 3.68Å; R318-E401 PolarHBondContact NH2-OE1 2.81Å; R318-E401 IonicContact NH2-OE2 2.95Å; R318-E401 PolarHBondContact NH2-OE2 3.28Å; R318-E401 VanDerWaalsContact NH2-OE2 3.15Å; R318-T402 HydrophobicContact CG-CG2 4.37Å
319N88.8Confident93.3Very high127 Ų12754.8 Ų54.868%0.67928%0.281SS*.SBendtrans-69.3-37.7178.9-71.1-32.5000111.5R328N319-R328 PolarHBondContact O-NH2 3.29Å
320T89.4Confident93.2Very high92 Ų9254.4 Ų54.456%0.56428%0.279SS*.SBendtrans-89162.6-179.957.10000112.4R326T320-R326 VanDerWaalsContact O-CZ 3.22Å; T320-R326 PolarHBondContact O-NE 3.44Å; T320-R326 PolarHBondContact O-NH2 3.27Å
321G88.1Confident93.1Very high52 Ų5256.6 Ų56.654%0.53629%0.288SS..SBendtrans96179.1179.300000114.1D323G321-D323 PolarHBondContact O-N 3.28Å
322K88.1Confident93.1Very high158 Ų15855.2 Ų55.269%0.68728%0.282SS*.  trans-64.9126.5-172.6-62.8-176.9-179.9-177.10111.3E324 N325 R326K322-E324 PolarHBondContact O-N 2.98Å; K322-N325 WeakPolarHBondContact O-CA 3.42Å; K322-N325 WeakPolarHBondContact O-CB 3.32Å; K322-N325 PolarHBondContact O-N 3.32Å; K322-R326 WeakPolarHBondContact O-CG 3.43Å
323D88.8Confident93.3Very high105 Ų10552 Ų5256%0.56127%0.265SS*.G310 helixtrans-59.9-29.9-179.1-82.5-21.5000113.9G321 N325 R326 R328G321-D323 PolarHBondContact O-N 3.28Å; D323-N325 PolarHBondContact O-N 2.89Å; D323-N325 VanDerWaalsContact O-N 3.13Å; D323-R326 PolarHBondContact O-N 3.16Å; D323-R328 IonicContact OD1-CZ 3.83Å; D323-R328 VanDerWaalsContact OD1-CZ 3.27Å; D323-R328 IonicContact OD1-NH1 2.89Å; D323-R328 PolarHBondContact OD1-NH1 3.34Å; D323-R328 IonicContact OD1-NH2 3.39Å; D323-R328 PolarHBondContact OD1-NH2 2.85Å
324E89.7Confident93.4Very high136 Ų13651.8 Ų51.864%0.63626%0.264SS*.G310 helixtrans-61.1-20.6174.3-68.2173.4-171.300113.3R279 K322R279-E324 WeakPolarHBondContact CD-O 3.13Å; R279-E324 PolarHBondContact NH1-O 2.92Å; R279-E324 VanDerWaalsContact NH1-O 3.12Å; K322-E324 PolarHBondContact O-N 2.98Å
325N90.3Very high93.4Very high65 Ų6551.7 Ų51.735%0.34826%0.263SS..G310 helixtrans-104.323.9178.6-65.7-6000112L275 K322 D323L275-N325 VanDerWaalsContact CD2-CA 3.44Å; L275-N325 HydrophobicContact CD2-CB 3.68Å; K322-N325 WeakPolarHBondContact O-CA 3.42Å; K322-N325 WeakPolarHBondContact O-CB 3.32Å; K322-N325 PolarHBondContact O-N 3.32Å; D323-N325 PolarHBondContact O-N 2.89Å; D323-N325 VanDerWaalsContact O-N 3.13Å
326R94Very high93.6Very high32 Ų3249.2 Ų49.212%0.12125%0.252CS..  trans-131.1147.8-174.9-58.5-67.7178.7-98.68.4112.3R279 H315 A316 R318 T320 K322 D323 R328R279-R326 WeakPolarHBondContact CG-O 3.46Å; H315-R326 WeakPolarHBondContact O-CD 3.38Å; H315-R326 PolarHBondContact O-NE 3.44Å; H315-R326 PolarHBondContact O-NH1 2.97Å; A316-R326 WeakPolarHBondContact O-CA 3.24Å; A316-R326 WeakPolarHBondContact O-CD 3.46Å; R318-R326 VanDerWaalsContact O-CD 3.3Å; R318-R326 WeakPolarHBondContact O-CD 3.47Å; R318-R326 PolarHBondContact O-NE 3.3Å; T320-R326 VanDerWaalsContact O-CZ 3.22Å; T320-R326 PolarHBondContact O-NE 3.44Å; T320-R326 PolarHBondContact O-NH2 3.27Å; K322-R326 WeakPolarHBondContact O-CG 3.43Å; D323-R326 PolarHBondContact O-N 3.16Å; R326-R328 HydrophobicContact CB-CG 4.28Å
327A94.6Very high93.7Very high0 Ų049.2 Ų49.20%025%0.252CS..  trans-148.167.9175.200000109.3R279 N282 A316 D329 L330 Y332R279-A327 HydrophobicContact CG-CB 4.4Å; N282-A327 HydrophobicContact CB-CB 3.77Å; N282-A327 VanDerWaalsContact OD1-CA 3.3Å; N282-A327 WeakPolarHBondContact OD1-CA 3.44Å; N282-A327 PolarHBondContact OD1-O 2.8Å; A316-A327 PolarHBondContact O-N 3.24Å; A327-D329 VanDerWaalsContact C-N 3.34Å; A327-D329 PolarHBondContact O-N 3.46Å; A327-L330 HydrophobicContact CB-CD1 4.11Å; A327-L330 HydrophobicContact CB-CG 4.47Å; A327-L330 PolarHBondContact O-N 2.82Å; A327-Y332 WeakPolarHBondContact CB-OH 3.37Å; A327-Y332 PolarHBondContact O-OH 2.92Å
328R93.6Very high93.9Very high79 Ų7948.5 Ų48.530%0.29825%0.25SC..THydrogen-bonded Turntrans-70.5-24.6-165.7-59.4-179.3-177.296.1-13.6114.4N282 K317 R318 N319 D323 R326 L330N282-R328 PolarHBondContact OD1-N 3.41Å; K317-R328 PolarHBondContact NZ-O 3.08Å; R318-R328 PolarHBondContact O-NE 2.81Å; R318-R328 VanDerWaalsContact O-NE 3.13Å; N319-R328 PolarHBondContact O-NH2 3.29Å; D323-R328 IonicContact OD1-CZ 3.83Å; D323-R328 VanDerWaalsContact OD1-CZ 3.27Å; D323-R328 IonicContact OD1-NH1 2.89Å; D323-R328 PolarHBondContact OD1-NH1 3.34Å; D323-R328 IonicContact OD1-NH2 3.39Å; D323-R328 PolarHBondContact OD1-NH2 2.85Å; R326-R328 HydrophobicContact CB-CG 4.28Å; R328-L330 VanDerWaalsContact C-N 3.26Å; R328-L330 PolarHBondContact O-N 2.76Å
329D92.3Very high94.2Very high69 Ų6947 Ų4737%0.36924%0.244SC..THydrogen-bonded Turntrans-77-16.2-179.6-51.3-83.5000112.2N282 R286 A327N282-D329 PolarHBondContact ND2-OD2 3.49Å; N282-D329 WeakPolarHBondContact OD1-CA 3.17Å; N282-D329 VanDerWaalsContact OD1-CB 3.32Å; N282-D329 WeakPolarHBondContact OD1-CB 3.32Å; N282-D329 PolarHBondContact OD1-N 3.09Å; N282-D329 PolarHBondContact OD1-OD2 3.31Å; R286-D329 WeakPolarHBondContact CD-OD2 3.18Å; R286-D329 HydrophobicContact CG-CB 4.04Å; R286-D329 IonicContact NE-OD2 2.74Å; A327-D329 VanDerWaalsContact C-N 3.34Å; A327-D329 PolarHBondContact O-N 3.46Å
330L95.2Very high94.6Very high0 Ų041 Ų410%021%0.212CC..SBendtrans-80.9153.6170.6-57.9-178.3000111.5L278 F281 N282 A285 F299 I301 K317 A327 R328 Y332L278-L330 HydrophobicContact CB-CD1 4.16Å; L278-L330 WeakPolarHBondContact O-CD1 3.26Å; F281-L330 HydrophobicContact CB-CD1 4.3Å; F281-L330 HydrophobicContact CB-CD2 4.5Å; N282-L330 HydrophobicContact CB-CD1 4.06Å; N282-L330 HydrophobicContact CB-CD2 4.44Å; N282-L330 HydrophobicContact CB-CG 3.91Å; N282-L330 PolarHBondContact OD1-N 2.88Å; A285-L330 HydrophobicContact CB-CD2 4.31Å; F299-L330 HydrophobicContact CB-CD2 3.91Å; F299-L330 HydrophobicContact CD2-CD2 3.84Å; F299-L330 HydrophobicContact CG-CD2 4.28Å; I301-L330 HydrophobicContact CD1-CD1 4.36Å; I301-L330 HydrophobicContact CG1-CB 4.37Å; I301-L330 HydrophobicContact CG1-CD1 3.97Å; K317-L330 PolarHBondContact NZ-O 2.86Å; A327-L330 HydrophobicContact CB-CD1 4.11Å; A327-L330 HydrophobicContact CB-CG 4.47Å; A327-L330 PolarHBondContact O-N 2.82Å; R328-L330 VanDerWaalsContact C-N 3.26Å; R328-L330 PolarHBondContact O-N 2.76Å; L330-Y332 HydrophobicContact CB-CE2 4.05Å; L330-Y332 WeakPolarHBondContact O-CE2 3.43Å
331F96.6Very high95.1Very high46 Ų4636.6 Ų36.620%0.20219%0.185CC..EExtended strand (participates in β ladder)trans-100.7151.6166.6-60.8-86.7000109.4A298 F299 A300 I301 F406 L430 Y744A298-F331 HydrophobicContact CB-CD2 4.41Å; A298-F331 HydrophobicContact CB-CE2 3.91Å; F299-F331 PolarHBondContact O-N 3.44Å; A300-F331 CarbonylContact C-O 3.55Å; A300-F331 WeakPolarHBondContact CA-O 3.47Å; A300-F331 HydrophobicContact CB-CB 4.12Å; I301-F331 PolarHBondContact N-O 2.8Å; F331-F406 HydrophobicContact CB-CE2 4.11Å; F331-F406 HydrophobicContact CB-CZ 3.99Å; F331-F406 HydrophobicContact CD1-CZ 4.08Å; F331-F406 HydrophobicContact CG-CZ 4.34Å; F331-L430 HydrophobicContact CD2-CD1 3.7Å; F331-L430 HydrophobicContact CE2-CD1 4.25Å; F331-L430 HydrophobicContact CG-CD1 4.26Å; F331-Y744 HydrophobicContact CD1-CE1 4.41Å; F331-Y744 VanDerWaalsContact CD1-OH 3.24Å; F331-Y744 WeakPolarHBondContact CD1-OH 3.25Å; F331-Y744 HydrophobicContact CE1-CE1 4.43Å; F331-Y744 WeakPolarHBondContact CE1-OH 3.39Å
332Y98.1Very high95.5Very high4 Ų438.5 Ų38.52%0.01618%0.176CC..EExtended strand (participates in β ladder)trans-124.8135-173.4-65.1-91.6000109.2L278 F313 A316 K317 A327 L330 P405 F406L278-Y332 HydrophobicContact CD1-CE1 4.18Å; F313-Y332 HydrophobicContact CD1-CD1 4.16Å; F313-Y332 AromaticContact CD2-CD1 3.78Å; F313-Y332 HydrophobicContact CD2-CD1 3.78Å; F313-Y332 HydrophobicContact CD2-CE1 4.07Å; F313-Y332 AromaticContact CE1-CD1 3.88Å; F313-Y332 HydrophobicContact CE1-CD1 3.88Å; F313-Y332 HydrophobicContact CE1-CG 4.44Å; F313-Y332 AromaticContact CE2-CD1 3.49Å; F313-Y332 HydrophobicContact CE2-CD1 3.49Å; F313-Y332 VanDerWaalsContact CE2-CD1 3.49Å; F313-Y332 HydrophobicContact CE2-CE1 4.05Å; F313-Y332 HydrophobicContact CG-CD1 4.13Å; F313-Y332 AromaticContact CZ-CD1 3.55Å; F313-Y332 HydrophobicContact CZ-CD1 3.55Å; F313-Y332 HydrophobicContact CZ-CG 4.28Å; A316-Y332 HydrophobicContact CB-CE1 3.71Å; A316-Y332 HydrophobicContact CB-CE2 4.26Å; A316-Y332 VanDerWaalsContact CB-CZ 3.47Å; A316-Y332 WeakPolarHBondContact CB-OH 3.48Å; K317-Y332 HydrophobicContact CB-CD2 3.74Å; K317-Y332 HydrophobicContact CB-CE2 3.72Å; K317-Y332 HydrophobicContact CD-CD2 4.12Å; K317-Y332 HydrophobicContact CG-CD2 4.09Å; K317-Y332 HydrophobicContact CG-CE2 4.06Å; A327-Y332 WeakPolarHBondContact CB-OH 3.37Å; A327-Y332 PolarHBondContact O-OH 2.92Å; L330-Y332 HydrophobicContact CB-CE2 4.05Å; L330-Y332 WeakPolarHBondContact O-CE2 3.43Å; Y332-P405 CarbonylContact O-C 3.4Å; Y332-P405 WeakPolarHBondContact O-CA 3.49Å; Y332-P405 WeakPolarHBondContact O-CB 3.27Å; Y332-F406 PolarHBondContact O-N 3.45Å
333A98.6Very high96Very high0 Ų032.9 Ų32.90%015%0.151CC..EExtended strand (participates in β ladder)trans-137.7140.8-178.900000110.2I301 Y302 L303 F406I301-A333 PolarHBondContact O-N 2.86Å; Y302-A333 WeakPolarHBondContact CA-O 3.24Å; Y302-A333 HydrophobicContact CD1-CB 3.57Å; Y302-A333 HydrophobicContact CD2-CB 4.06Å; Y302-A333 HydrophobicContact CE1-CB 3.39Å; Y302-A333 HydrophobicContact CE2-CB 3.89Å; Y302-A333 HydrophobicContact CG-CB 3.89Å; L303-A333 PolarHBondContact N-O 3.32Å; A333-F406 HydrophobicContact CB-CB 3.83Å; A333-F406 HydrophobicContact CB-CD2 3.82Å; A333-F406 HydrophobicContact CB-CG 4.17Å
334L98.7Very high96.4Very high0 Ų028.1 Ų28.10%013%0.125CC..EExtended strand (participates in β ladder)trans-95.9134.4171.5-61.7-178.7000110L303 I310 F313 L314 I336 I395 P405 F406 M407 V408L303-L334 WeakPolarHBondContact O-CA 3.5Å; I310-L334 HydrophobicContact CD1-CD2 3.71Å; F313-L334 HydrophobicContact CD1-CD2 4.41Å; F313-L334 HydrophobicContact CE1-CD2 4.02Å; L314-L334 HydrophobicContact CD2-CD2 4.41Å; L334-I336 HydrophobicContact CB-CD1 3.84Å; L334-I336 HydrophobicContact CB-CG1 3.61Å; L334-I336 HydrophobicContact CD1-CD1 4.35Å; L334-I395 HydrophobicContact CD1-CB 4.46Å; L334-I395 HydrophobicContact CD1-CD1 3.55Å; L334-I395 HydrophobicContact CD1-CG1 3.76Å; L334-I395 HydrophobicContact CD1-CG2 3.84Å; L334-P405 HydrophobicContact CD1-CB 4.5Å; L334-P405 HydrophobicContact CD1-CG 3.74Å; L334-P405 HydrophobicContact CD2-CB 4.46Å; L334-P405 HydrophobicContact CD2-CG 4.32Å; L334-P405 HydrophobicContact CG-CB 3.88Å; L334-P405 HydrophobicContact CG-CG 3.66Å; L334-F406 PolarHBondContact N-O 2.94Å; L334-M407 HydrophobicContact CB-SD 4.49Å; L334-M407 HydrophobicContact CD1-SD 3.96Å; L334-V408 PolarHBondContact O-N 2.88Å; L334-V408 VanDerWaalsContact O-N 3.08Å
335W98.6Very high96.7Very high0 Ų026.8 Ų26.80%012%0.119CC..EExtended strand (participates in β ladder)trans-105.396171.5-167.4-116.4000108.3H255 Y302 L303 E304 P305 V408 K410 C413 I425 R426H255-W335 AromaticContact NE2-CD1 3.78Å; Y302-W335 HydrophobicContact CD1-CB 4.42Å; Y302-W335 HydrophobicContact CD1-CE3 4.09Å; Y302-W335 HydrophobicContact CE1-CE3 4.28Å; L303-W335 PolarHBondContact O-N 2.71Å; E304-W335 WeakPolarHBondContact CA-O 3.46Å; E304-W335 HydrophobicContact CG-CB 4.08Å; E304-W335 HydrophobicContact CG-CG 4.39Å; E304-W335 WeakPolarHBondContact CG-O 3.02Å; P305-W335 VanDerWaalsContact CD-O 3.26Å; P305-W335 WeakPolarHBondContact CD-O 3.31Å; W335-V408 HydrophobicContact CE3-CB 3.84Å; W335-V408 HydrophobicContact CE3-CG1 3.78Å; W335-V408 HydrophobicContact CH2-CG1 4.28Å; W335-V408 HydrophobicContact CZ3-CB 3.93Å; W335-V408 HydrophobicContact CZ3-CG1 3.32Å; W335-K410 HydrophobicContact CD2-CB 4.12Å; W335-K410 HydrophobicContact CG-CB 4.09Å; W335-K410 HydrophobicContact CZ2-CB 4.29Å; W335-K410 HydrophobicContact CZ2-CG 4.42Å; W335-K410 VanDerWaalsContact NE1-CG 3.25Å; W335-C413 HydrophobicContact CH2-CB 3.43Å; W335-C413 VanDerWaalsContact CH2-CB 3.43Å; W335-C413 VanDerWaalsContact CH2-SG 3.55Å; W335-C413 HydrophobicContact CZ2-CB 3.87Å; W335-C413 HydrophobicContact CZ3-CB 4.36Å; W335-I425 HydrophobicContact CH2-CG2 4.29Å; W335-I425 HydrophobicContact CZ2-CG2 4.24Å; W335-I425 VanDerWaalsContact CZ2-O 3.24Å; W335-I425 WeakPolarHBondContact CZ2-O 3.23Å; W335-I425 PolarHBondContact NE1-O 3.08Å; W335-R426 PolarHBondContact NE1-O 3.42Å
336I98.7Very high97.1Very high0 Ų027.5 Ų27.50%013%0.134CC..EExtended strand (participates in β ladder)trans-101.6119.5-158.4-59.8169.8000111L334 F340 M341 M407 V408 Y409 K410L334-I336 HydrophobicContact CB-CD1 3.84Å; L334-I336 HydrophobicContact CB-CG1 3.61Å; L334-I336 HydrophobicContact CD1-CD1 4.35Å; I336-F340 HydrophobicContact CG2-CB 4.3Å; I336-F340 HydrophobicContact CG2-CD1 3.85Å; I336-M341 HydrophobicContact CG2-CG 3.89Å; I336-M341 HydrophobicContact CG2-SD 4.02Å; I336-M407 HydrophobicContact CD1-CB 4.43Å; I336-M407 HydrophobicContact CD1-CE 3.2Å; I336-M407 HydrophobicContact CD1-SD 3.66Å; I336-V408 PolarHBondContact N-O 2.91Å; I336-Y409 HydrophobicContact CB-CD1 4.19Å; I336-Y409 HydrophobicContact CD1-CE1 4.42Å; I336-Y409 HydrophobicContact CG2-CD1 4.34Å; I336-Y409 CarbonylContact O-C 3.52Å; I336-Y409 WeakPolarHBondContact O-CA 3.16Å; I336-K410 WeakPolarHBondContact O-CB 3.48Å; I336-K410 PolarHBondContact O-N 3.49Å
337P98.6Very high97.2Very high0 Ų029.6 Ų29.60%015%0.148CC..  trans-72.6148.2168.630.7-33.6000111.2P305 L339 F340 W350 F369P305-P337 HydrophobicContact CG-CG 4.49Å; P337-L339 PolarHBondContact O-N 3.39Å; P337-F340 HydrophobicContact CG-CB 4.18Å; P337-F340 PolarHBondContact O-N 2.74Å; P337-F340 VanDerWaalsContact O-N 3.1Å; P337-W350 HydrophobicContact CG-CH2 4.29Å; P337-F369 HydrophobicContact CB-CD1 3.81Å; P337-F369 HydrophobicContact CB-CE1 3.48Å; P337-F369 VanDerWaalsContact CB-CE1 3.48Å; P337-F369 HydrophobicContact CB-CZ 3.91Å; P337-F369 HydrophobicContact CG-CD1 4.47Å; P337-F369 HydrophobicContact CG-CE1 3.65Å; P337-F369 HydrophobicContact CG-CZ 3.73Å
338D98.5Very high97.3Very high16 Ų1630.3 Ų30.39%0.08616%0.155CC..Hα-helixtrans-58-32.3177.8-71.3-23.7000110.8F340 M341 R342 D411 R415 W734D338-F340 VanDerWaalsContact C-N 3.31Å; D338-F340 PolarHBondContact O-N 2.72Å; D338-M341 PolarHBondContact O-N 3.41Å; D338-R342 WeakPolarHBondContact O-CG 3.37Å; D338-R342 PolarHBondContact O-N 3.32Å; D338-D411 HydrophobicContact CB-CB 4.37Å; D338-D411 WeakPolarHBondContact CB-OD2 3.42Å; D338-D411 VanDerWaalsContact CG-OD2 3.24Å; D338-D411 PolarHBondContact N-OD2 3.43Å; D338-D411 WeakPolarHBondContact OD2-CB 3.42Å; D338-R415 IonicContact OD2-CZ 3.54Å; D338-R415 IonicContact OD2-NH1 3.16Å; D338-R415 PolarHBondContact OD2-NH1 3.03Å; D338-R415 VanDerWaalsContact OD2-NH1 3.17Å; D338-R415 IonicContact OD2-NH2 3.39Å; D338-R415 PolarHBondContact OD2-NH2 3.22Å; D338-W734 HydrophobicContact CB-CZ2 4.28Å; D338-W734 PolarHBondContact OD1-NE1 2.88Å
339L98.4Very high97.5Very high6 Ų628.9 Ų28.93%0.03115%0.154CC..Hα-helixtrans-56-42.3175.9-172.763.4000112.9P337 M341 R342 R343 W350 F369 D370 Y373P337-L339 PolarHBondContact O-N 3.39Å; L339-M341 VanDerWaalsContact C-N 3.34Å; L339-M341 PolarHBondContact O-N 3.47Å; L339-R342 PolarHBondContact O-N 3.06Å; L339-R343 HydrophobicContact CD1-CG 4.34Å; L339-R343 HydrophobicContact CG-CG 4.27Å; L339-R343 WeakPolarHBondContact O-CB 3.22Å; L339-R343 VanDerWaalsContact O-CG 3.23Å; L339-R343 WeakPolarHBondContact O-CG 3.42Å; L339-R343 PolarHBondContact O-N 2.92Å; L339-W350 HydrophobicContact CD2-CZ3 4.12Å; L339-W350 HydrophobicContact CG-CZ3 4.07Å; L339-F369 HydrophobicContact CB-CE1 4.25Å; L339-F369 HydrophobicContact CD2-CE1 4.13Å; L339-D370 WeakPolarHBondContact CB-OD1 3.29Å; L339-Y373 HydrophobicContact CD2-CD1 3.42Å; L339-Y373 VanDerWaalsContact CD2-CD1 3.42Å; L339-Y373 HydrophobicContact CD2-CE1 3.96Å; L339-Y373 HydrophobicContact CD2-CG 3.95Å
340F98.5Very high97.8Very high0 Ų025.6 Ų25.60%014%0.136CC..Hα-helixtrans-62.3-45.3179.6177.8-119.6000110.8P305 I336 P337 D338 R342 R343 I344 W350 A388 L391 W392 I395P305-F340 HydrophobicContact CB-CD1 4.12Å; P305-F340 HydrophobicContact CB-CD2 4.46Å; P305-F340 HydrophobicContact CB-CE1 4.12Å; P305-F340 HydrophobicContact CB-CE2 4.49Å; P305-F340 HydrophobicContact CB-CG 4.27Å; P305-F340 HydrophobicContact CB-CZ 4.3Å; P305-F340 HydrophobicContact CG-CB 4.12Å; P305-F340 HydrophobicContact CG-CD1 3.82Å; P305-F340 HydrophobicContact CG-CD2 4.44Å; P305-F340 HydrophobicContact CG-CE1 4.31Å; P305-F340 HydrophobicContact CG-CG 3.87Å; I336-F340 HydrophobicContact CG2-CB 4.3Å; I336-F340 HydrophobicContact CG2-CD1 3.85Å; P337-F340 HydrophobicContact CG-CB 4.18Å; P337-F340 PolarHBondContact O-N 2.74Å; P337-F340 VanDerWaalsContact O-N 3.1Å; D338-F340 VanDerWaalsContact C-N 3.31Å; D338-F340 PolarHBondContact O-N 2.72Å; F340-R342 PolarHBondContact O-N 3.4Å; F340-R343 PolarHBondContact O-N 2.56Å; F340-I344 HydrophobicContact CD1-CD1 3.75Å; F340-I344 HydrophobicContact CD2-CD1 4.25Å; F340-I344 HydrophobicContact CD2-CG1 4.45Å; F340-I344 HydrophobicContact CE1-CD1 3.41Å; F340-I344 VanDerWaalsContact CE1-CD1 3.41Å; F340-I344 HydrophobicContact CE1-CG1 4.46Å; F340-I344 HydrophobicContact CE2-CD1 3.92Å; F340-I344 HydrophobicContact CE2-CG1 4.12Å; F340-I344 HydrophobicContact CG-CD1 4.18Å; F340-I344 HydrophobicContact CZ-CD1 3.5Å; F340-I344 HydrophobicContact CZ-CG1 4.14Å; F340-I344 WeakPolarHBondContact O-CG1 3.47Å; F340-I344 PolarHBondContact O-N 3.27Å; F340-W350 HydrophobicContact CB-CH2 3.75Å; F340-W350 HydrophobicContact CB-CZ2 3.95Å; F340-W350 HydrophobicContact CB-CZ3 4.1Å; F340-W350 AromaticContact CD2-CD2 3.65Å; F340-W350 HydrophobicContact CD2-CD2 3.65Å; F340-W350 AromaticContact CD2-CE2 3.55Å; F340-W350 HydrophobicContact CD2-CE3 4.02Å; F340-W350 HydrophobicContact CD2-CG 4.08Å; F340-W350 HydrophobicContact CD2-CH2 4.25Å; F340-W350 AromaticContact CD2-CZ2 3.86Å; F340-W350 HydrophobicContact CD2-CZ2 3.86Å; F340-W350 HydrophobicContact CD2-CZ3 4.32Å; F340-W350 AromaticContact CD2-NE1 3.89Å; F340-W350 HydrophobicContact CE2-CD2 4.24Å; F340-W350 HydrophobicContact CE2-CG 4.2Å; F340-W350 HydrophobicContact CG-CH2 4.44Å; F340-W350 HydrophobicContact CG-CZ2 4.22Å; F340-A388 HydrophobicContact CE2-CB 4.49Å; F340-L391 HydrophobicContact CE2-CB 4.33Å; F340-L391 HydrophobicContact CE2-CD2 3.76Å; F340-L391 HydrophobicContact CE2-CG 4.23Å; F340-L391 HydrophobicContact CZ-CB 4.24Å; F340-L391 HydrophobicContact CZ-CD2 3.79Å; F340-L391 HydrophobicContact CZ-CG 3.9Å; F340-W392 HydrophobicContact CE1-CE3 4.16Å; F340-I395 HydrophobicContact CE1-CD1 3.78Å; F340-I395 HydrophobicContact CZ-CD1 3.91Å
341M98.4Very high97.9Very high0 Ų025.6 Ų25.60%014%0.136CC..Hα-helixtrans-61.9-43177.7-61.9-59.3-66.200111.5I336 D338 L339 I344 E345 W392 Y409 F731 W734I336-M341 HydrophobicContact CG2-CG 3.89Å; I336-M341 HydrophobicContact CG2-SD 4.02Å; D338-M341 PolarHBondContact O-N 3.41Å; L339-M341 VanDerWaalsContact C-N 3.34Å; L339-M341 PolarHBondContact O-N 3.47Å; M341-I344 PolarHBondContact O-N 3.1Å; M341-I344 HydrophobicContact SD-CD1 4.43Å; M341-E345 PolarHBondContact O-N 3.18Å; M341-E345 VanDerWaalsContact O-N 3.13Å; M341-W392 HydrophobicContact CE-CH2 4.04Å; M341-W392 HydrophobicContact CE-CZ3 4.3Å; M341-W392 HydrophobicContact SD-CH2 4.34Å; M341-W392 HydrophobicContact SD-CZ3 4Å; M341-Y409 HydrophobicContact CE-CE1 4.34Å; M341-Y409 HydrophobicContact CG-CE1 4.35Å; M341-Y409 HydrophobicContact SD-CE1 4.21Å; M341-F731 HydrophobicContact CE-CD1 4.11Å; M341-F731 HydrophobicContact CE-CD2 4.16Å; M341-F731 HydrophobicContact CE-CE1 4Å; M341-F731 HydrophobicContact CE-CE2 4.09Å; M341-F731 HydrophobicContact CE-CG 4.19Å; M341-F731 HydrophobicContact CE-CZ 4.01Å; M341-F731 WeakPolarHBondContact O-CE1 3.34Å; M341-W734 HydrophobicContact CB-CD2 3.66Å; M341-W734 HydrophobicContact CB-CE3 3.86Å; M341-W734 HydrophobicContact CB-CG 4.31Å; M341-W734 HydrophobicContact CB-CH2 3.83Å; M341-W734 HydrophobicContact CB-CZ2 3.62Å; M341-W734 HydrophobicContact CB-CZ3 3.93Å; M341-W734 HydrophobicContact CE-CB 4.06Å; M341-W734 HydrophobicContact CE-CD2 4.23Å; M341-W734 HydrophobicContact CE-CE3 4.24Å; M341-W734 HydrophobicContact CE-CG 4.14Å; M341-W734 HydrophobicContact CG-CD2 3.93Å; M341-W734 HydrophobicContact CG-CE3 4.48Å; M341-W734 HydrophobicContact CG-CG 4.05Å; M341-W734 HydrophobicContact CG-CZ2 4.49Å
342R98.2Very high98Very high93 Ų9323.6 Ų23.635%0.35113%0.127SC..Hα-helixtrans-63.2-41.8174.8-68.8-170.4-54.1-100.70.8112.5D338 L339 F340 I344 E345 A346 D370 W734D338-R342 WeakPolarHBondContact O-CG 3.37Å; D338-R342 PolarHBondContact O-N 3.32Å; L339-R342 PolarHBondContact O-N 3.06Å; F340-R342 PolarHBondContact O-N 3.4Å; R342-I344 VanDerWaalsContact C-N 3.33Å; R342-I344 PolarHBondContact O-N 3.46Å; R342-E345 PolarHBondContact O-N 2.81Å; R342-A346 WeakPolarHBondContact O-CB 3.11Å; R342-A346 PolarHBondContact O-N 3.15Å; R342-D370 IonicContact CZ-OD2 3.78Å; R342-D370 IonicContact NH1-OD2 3.57Å; R342-D370 VanDerWaalsContact NH2-CG 3.26Å; R342-D370 IonicContact NH2-OD1 2.86Å; R342-D370 PolarHBondContact NH2-OD1 2.94Å; R342-D370 IonicContact NH2-OD2 3.97Å; R342-D370 PolarHBondContact NH2-OD2 3.14Å; R342-W734 HydrophobicContact CG-CH2 3.75Å; R342-W734 HydrophobicContact CG-CZ2 4.05Å
343R98Very high98Very high39 Ų3923.4 Ų23.415%0.14713%0.127CC..Hα-helixtrans-64.7-35.3177.8-69-75.9-173.4116.7-5.6111.7L339 F340 D347 G348 D349 W350 E374 E377 A388L339-R343 HydrophobicContact CD1-CG 4.34Å; L339-R343 HydrophobicContact CG-CG 4.27Å; L339-R343 WeakPolarHBondContact O-CB 3.22Å; L339-R343 VanDerWaalsContact O-CG 3.23Å; L339-R343 WeakPolarHBondContact O-CG 3.42Å; L339-R343 PolarHBondContact O-N 2.92Å; F340-R343 PolarHBondContact O-N 2.56Å; R343-D347 PolarHBondContact O-N 2.94Å; R343-G348 WeakPolarHBondContact O-CA 3.13Å; R343-G348 PolarHBondContact O-N 2.78Å; R343-D349 WeakPolarHBondContact CD-O 3.36Å; R343-D349 PolarHBondContact NH1-O 2.88Å; R343-W350 HydrophobicContact CB-CE3 4.33Å; R343-W350 HydrophobicContact CG-CE3 4.09Å; R343-W350 HydrophobicContact CG-CZ3 4.28Å; R343-E374 IonicContact NH2-OE1 3.58Å; R343-E374 PolarHBondContact NH2-OE1 3.21Å; R343-E377 IonicContact CZ-OE1 2.65Å; R343-E377 IonicContact NH1-OE1 3.6Å; R343-E377 PolarHBondContact NH1-OE1 3.32Å; R343-E377 IonicContact NH1-OE2 2.86Å; R343-E377 PolarHBondContact NH1-OE2 3.05Å; R343-E377 IonicContact NH2-OE1 2.7Å; R343-E377 PolarHBondContact NH2-OE1 3.23Å; R343-A388 HydrophobicContact CB-CB 3.88Å
344I97.5Very high98Very high5 Ų523.4 Ų23.43%0.02613%0.127CC..Hα-helixtrans-66-48.3173.9-65.3158.8000111.1F340 M341 R342 A346 D347 A388 Q389 W392 F731F340-I344 HydrophobicContact CD1-CD1 3.75Å; F340-I344 HydrophobicContact CD2-CD1 4.25Å; F340-I344 HydrophobicContact CD2-CG1 4.45Å; F340-I344 HydrophobicContact CE1-CD1 3.41Å; F340-I344 VanDerWaalsContact CE1-CD1 3.41Å; F340-I344 HydrophobicContact CE1-CG1 4.46Å; F340-I344 HydrophobicContact CE2-CD1 3.92Å; F340-I344 HydrophobicContact CE2-CG1 4.12Å; F340-I344 HydrophobicContact CG-CD1 4.18Å; F340-I344 HydrophobicContact CZ-CD1 3.5Å; F340-I344 HydrophobicContact CZ-CG1 4.14Å; F340-I344 WeakPolarHBondContact O-CG1 3.47Å; F340-I344 PolarHBondContact O-N 3.27Å; M341-I344 PolarHBondContact O-N 3.1Å; M341-I344 HydrophobicContact SD-CD1 4.43Å; R342-I344 VanDerWaalsContact C-N 3.33Å; R342-I344 PolarHBondContact O-N 3.46Å; I344-A346 VanDerWaalsContact C-N 3.29Å; I344-A346 PolarHBondContact O-N 2.63Å; I344-D347 PolarHBondContact O-N 3.17Å; I344-A388 HydrophobicContact CB-CB 4.5Å; I344-A388 HydrophobicContact CG1-CB 3.82Å; I344-Q389 HydrophobicContact CG2-CG 4.2Å; I344-Q389 PolarHBondContact O-NE2 3.38Å; I344-W392 HydrophobicContact CD1-CB 3.96Å; I344-W392 HydrophobicContact CD1-CD2 3.74Å; I344-W392 HydrophobicContact CD1-CE3 3.34Å; I344-W392 HydrophobicContact CD1-CG 4.03Å; I344-W392 HydrophobicContact CD1-CZ3 4.03Å; I344-W392 HydrophobicContact CG1-CB 4.12Å; I344-W392 HydrophobicContact CG1-CG 4.46Å; I344-W392 HydrophobicContact CG2-CB 4.19Å; I344-W392 HydrophobicContact CG2-CD2 4.31Å; I344-W392 HydrophobicContact CG2-CG 3.95Å; I344-F731 HydrophobicContact CB-CZ 3.85Å; I344-F731 HydrophobicContact CG2-CE2 3.83Å; I344-F731 HydrophobicContact CG2-CZ 3.59Å
345E96.2Very high97.9Very high108 Ų10823.9 Ų23.951%0.50513%0.13SC..Hα-helixtrans-61.8-36.6-179.4-177.3164.3-147.100112.4M341 R342 D347 F731 K735M341-E345 PolarHBondContact O-N 3.18Å; M341-E345 VanDerWaalsContact O-N 3.13Å; R342-E345 PolarHBondContact O-N 2.81Å; E345-D347 VanDerWaalsContact C-N 3.35Å; E345-F731 HydrophobicContact CB-CE1 3.8Å; E345-F731 HydrophobicContact CB-CZ 4.26Å; E345-K735 IonicContact OE1-NZ 2.62Å; E345-K735 PolarHBondContact OE1-NZ 2.69Å; E345-K735 IonicContact OE2-NZ 2.92Å
346A97.3Very high97.7Very high81 Ų8128.7 Ų28.767%0.66915%0.152SC*.THydrogen-bonded Turntrans-86.94.9179.600000114.7R342 I344 G348R342-A346 WeakPolarHBondContact O-CB 3.11Å; R342-A346 PolarHBondContact O-N 3.15Å; I344-A346 VanDerWaalsContact C-N 3.29Å; I344-A346 PolarHBondContact O-N 2.63Å; A346-G348 PolarHBondContact O-N 3.16Å; A346-G348 VanDerWaalsContact O-N 3.17Å
347D96Very high97.5Very high75 Ų7531.6 Ų31.640%0.40117%0.166SC..THydrogen-bonded Turntrans50.235.4-170.6-167.535000113.8R343 I344 E345 K387R343-D347 PolarHBondContact O-N 2.94Å; I344-D347 PolarHBondContact O-N 3.17Å; E345-D347 VanDerWaalsContact C-N 3.35Å; D347-K387 PolarHBondContact O-NZ 2.75Å
348G97.2Very high97.4Very high16 Ų1631.6 Ų31.617%0.16517%0.166CC..  trans-76.416718000000113R343 A346 A388R343-G348 WeakPolarHBondContact O-CA 3.13Å; R343-G348 PolarHBondContact O-N 2.78Å; A346-G348 PolarHBondContact O-N 3.16Å; A346-G348 VanDerWaalsContact O-N 3.17Å; G348-A388 WeakPolarHBondContact O-CB 3.4Å; G348-A388 PolarHBondContact O-N 2.97Å
349D97.8Very high97.3Very high49 Ų4933.7 Ų33.726%0.26218%0.18SC..EExtended strand (participates in β ladder)trans-81.1154.3172.9-56.8-23000110.7R343 K385 L386 K387R343-D349 WeakPolarHBondContact CD-O 3.36Å; R343-D349 PolarHBondContact NH1-O 2.88Å; D349-K385 HydrophobicContact CB-CD 4.41Å; D349-K385 HydrophobicContact CB-CG 4.2Å; D349-K385 VanDerWaalsContact CG-CE 3.46Å; D349-K385 WeakPolarHBondContact OD2-CE 3.37Å; D349-K385 IonicContact OD2-NZ 2.68Å; D349-K385 PolarHBondContact OD2-NZ 3.45Å; D349-L386 CarbonylContact C-O 3.33Å; D349-L386 WeakPolarHBondContact CA-O 3.37Å; D349-K387 WeakPolarHBondContact OD1-CD 3.5Å; D349-K387 WeakPolarHBondContact OD1-CE 3.41Å; D349-K387 IonicContact OD1-NZ 3.15Å; D349-K387 PolarHBondContact OD1-NZ 3.38Å
350W98.3Very high97.1Very high0 Ų034.3 Ų34.30%019%0.188CC..EExtended strand (participates in β ladder)trans-131.5131.5176-168.4-114.9000109.5P305 W306 P337 L339 F340 R343 Y373 L386 A388P305-W350 HydrophobicContact CG-CZ2 4.31Å; P305-W350 PolarHBondContact O-NE1 3.38Å; W306-W350 HydrophobicContact CB-CZ2 3.69Å; P337-W350 HydrophobicContact CG-CH2 4.29Å; L339-W350 HydrophobicContact CD2-CZ3 4.12Å; L339-W350 HydrophobicContact CG-CZ3 4.07Å; F340-W350 HydrophobicContact CB-CH2 3.75Å; F340-W350 HydrophobicContact CB-CZ2 3.95Å; F340-W350 HydrophobicContact CB-CZ3 4.1Å; F340-W350 AromaticContact CD2-CD2 3.65Å; F340-W350 HydrophobicContact CD2-CD2 3.65Å; F340-W350 AromaticContact CD2-CE2 3.55Å; F340-W350 HydrophobicContact CD2-CE3 4.02Å; F340-W350 HydrophobicContact CD2-CG 4.08Å; F340-W350 HydrophobicContact CD2-CH2 4.25Å; F340-W350 AromaticContact CD2-CZ2 3.86Å; F340-W350 HydrophobicContact CD2-CZ2 3.86Å; F340-W350 HydrophobicContact CD2-CZ3 4.32Å; F340-W350 AromaticContact CD2-NE1 3.89Å; F340-W350 HydrophobicContact CE2-CD2 4.24Å; F340-W350 HydrophobicContact CE2-CG 4.2Å; F340-W350 HydrophobicContact CG-CH2 4.44Å; F340-W350 HydrophobicContact CG-CZ2 4.22Å; R343-W350 HydrophobicContact CB-CE3 4.33Å; R343-W350 HydrophobicContact CG-CE3 4.09Å; R343-W350 HydrophobicContact CG-CZ3 4.28Å; W350-Y373 HydrophobicContact CE3-CE1 4.26Å; W350-Y373 AromaticContact CE3-CZ 3.86Å; W350-Y373 VanDerWaalsContact CE3-OH 3.28Å; W350-Y373 HydrophobicContact CH2-CE1 4.46Å; W350-Y373 AromaticContact CH2-CE2 3.98Å; W350-Y373 HydrophobicContact CH2-CE2 3.98Å; W350-Y373 AromaticContact CH2-CZ 3.91Å; W350-Y373 HydrophobicContact CZ2-CE2 4.22Å; W350-Y373 AromaticContact CZ3-CE1 3.93Å; W350-Y373 HydrophobicContact CZ3-CE1 3.93Å; W350-Y373 HydrophobicContact CZ3-CE2 4.22Å; W350-Y373 AromaticContact CZ3-CZ 3.67Å; W350-L386 HydrophobicContact CB-CD1 4.22Å; W350-L386 PolarHBondContact N-O 3.07Å; W350-L386 PolarHBondContact O-N 3.49Å; W350-A388 HydrophobicContact CB-CB 3.97Å
351C98.2Very high97.1Very high0 Ų034.3 Ų34.30%019%0.188CC..EExtended strand (participates in β ladder)trans-105.4119.9-176.8-71.20000109.4M353 Y373 E377 Y382C351-M353 HydrophobicContact CB-CE 3.98Å; C351-Y373 WeakPolarHBondContact CA-OH 3.41Å; C351-Y373 WeakPolarHBondContact CB-OH 3.28Å; C351-Y373 PolarHBondContact N-OH 3.43Å; C351-Y373 PolarHBondContact O-OH 2.96Å; C351-Y373 VanDerWaalsContact O-OH 3.09Å; C351-E377 PolarHBondContact SG-OE2 2.83Å; C351-Y382 HydrophobicContact CB-CD1 4.24Å; C351-Y382 HydrophobicContact CB-CG 3.99Å
352L98.4Very high96.9Very high3 Ų334.9 Ų34.92%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-84120.7174.2-66.2-167.8000109.8W306 A308 I310 F311 Y382 R383 R384 L386 L391W306-L352 CarbonylContact O-C 3.33Å; W306-L352 VanDerWaalsContact O-CA 3.28Å; W306-L352 WeakPolarHBondContact O-CA 3.23Å; A308-L352 HydrophobicContact CB-CB 4.31Å; I310-L352 HydrophobicContact CG2-CD1 4.07Å; I310-L352 HydrophobicContact CG2-CD2 3.71Å; F311-L352 HydrophobicContact CD2-CD1 4.18Å; F311-L352 HydrophobicContact CE2-CD1 3.99Å; L352-Y382 WeakPolarHBondContact O-CB 3.34Å; L352-R383 PolarHBondContact O-N 3Å; L352-R384 HydrophobicContact CB-CB 4.25Å; L352-R384 WeakPolarHBondContact CB-O 3.29Å; L352-R384 HydrophobicContact CD1-CB 4.41Å; L352-R384 PolarHBondContact N-O 2.87Å; L352-R384 PolarHBondContact O-N 2.8Å; L352-L386 HydrophobicContact CD1-CD2 3.66Å; L352-L386 HydrophobicContact CG-CD2 3.88Å; L352-L391 HydrophobicContact CD2-CD2 4.5Å
353M98.2Very high96.8Very high0 Ų035.4 Ų35.40%020%0.197CC..BIsolated β-bridgetrans-118.2150.9-173-59-174.7-177.700111.4W306 A308 C351 L361 Y373 Y376 E377 R381W306-M353 HydrophobicContact CE3-CB 4.36Å; W306-M353 PolarHBondContact O-N 3.1Å; A308-M353 PolarHBondContact N-O 2.93Å; C351-M353 HydrophobicContact CB-CE 3.98Å; M353-L361 HydrophobicContact SD-CD1 3.79Å; M353-Y373 HydrophobicContact CE-CD2 3.97Å; M353-Y373 HydrophobicContact CE-CE2 3.79Å; M353-Y373 HydrophobicContact CE-CG 4.45Å; M353-Y373 HydrophobicContact SD-CD2 4.2Å; M353-Y373 HydrophobicContact SD-CE2 4.2Å; M353-Y376 HydrophobicContact SD-CD2 4.29Å; M353-E377 HydrophobicContact CE-CB 4.3Å; M353-R381 WeakPolarHBondContact CG-O 3.45Å
354C97.3Very high96.7Very high0 Ų034.9 Ų34.90%020%0.198CC..  trans-92.1132.8165.7174.50000108.9A259 S262 H356 E357 S358 R383A259-C354 HydrophobicContact CB-CB 4.1Å; A259-C354 PolarHBondContact N-SG 2.55Å; A259-C354 VanDerWaalsContact N-SG 3.37Å; S262-C354 PolarHBondContact OG-SG 2.68Å; C354-H356 PolarHBondContact O-N 2.87Å; C354-H356 VanDerWaalsContact O-N 3.16Å; C354-H356 PolarHBondContact SG-N 2.66Å; C354-H356 VanDerWaalsContact SG-N 3.44Å; C354-E357 HydrophobicContact CB-CB 4.32Å; C354-E357 HydrophobicContact CB-CG 4.27Å; C354-E357 CarbonylContact O-C 3.56Å; C354-E357 PolarHBondContact O-N 3.4Å; C354-S358 PolarHBondContact O-N 3.47Å; C354-R383 HydrophobicContact CB-CG 4.49Å
355P96.8Very high96.8Very high10 Ų1037.3 Ų37.37%0.06521%0.207CC..THydrogen-bonded Turntrans-61.5-24.617925.5-36.6000113.4H255 S256 I257 W306 E357 S358 P359H255-P355 WeakPolarHBondContact O-CB 3.48Å; H255-P355 VanDerWaalsContact O-CG 3.31Å; H255-P355 WeakPolarHBondContact O-CG 3.23Å; S256-P355 WeakPolarHBondContact O-CG 3.27Å; I257-P355 WeakPolarHBondContact O-CG 3.45Å; W306-P355 HydrophobicContact CH2-CB 4.27Å; W306-P355 HydrophobicContact CZ3-CB 4.27Å; P355-E357 VanDerWaalsContact C-N 3.33Å; P355-S358 CarbonylContact O-C 3.53Å; P355-P359 WeakPolarHBondContact O-CA 3.31Å
356H94.8Very high96.8Very high102 Ų10232.2 Ų32.247%0.47218%0.184SC..THydrogen-bonded Turntrans-67.8-34.4172.9-171.471.6000112.5R258 C354R258-H356 HydrophobicContact CB-CB 4.09Å; C354-H356 PolarHBondContact O-N 2.87Å; C354-H356 VanDerWaalsContact O-N 3.16Å; C354-H356 PolarHBondContact SG-N 2.66Å; C354-H356 VanDerWaalsContact SG-N 3.44Å
357E95.4Very high96.8Very high60 Ų6033.9 Ų33.928%0.2818%0.182SC..THydrogen-bonded Turntrans-90.6-25.3-180-66.7175.2159.100112.5C354 P355 R381 R383C354-E357 HydrophobicContact CB-CB 4.32Å; C354-E357 HydrophobicContact CB-CG 4.27Å; C354-E357 CarbonylContact O-C 3.56Å; C354-E357 PolarHBondContact O-N 3.4Å; P355-E357 VanDerWaalsContact C-N 3.33Å; E357-R381 PolarHBondContact O-NE 3.47Å; E357-R381 PolarHBondContact O-NH2 2.89Å; E357-R383 VanDerWaalsContact CD-CZ 3.48Å; E357-R383 VanDerWaalsContact CD-NE 3.29Å; E357-R383 VanDerWaalsContact CD-NH2 3.28Å; E357-R383 IonicContact OE1-CZ 3.63Å; E357-R383 IonicContact OE1-NE 2.99Å; E357-R383 PolarHBondContact OE1-NE 3.27Å; E357-R383 VanDerWaalsContact OE1-NE 3.17Å; E357-R383 IonicContact OE1-NH1 3.25Å; E357-R383 IonicContact OE1-NH2 3.99Å; E357-R383 PolarHBondContact OE1-NH2 3.39Å; E357-R383 WeakPolarHBondContact OE2-CD 3.36Å; E357-R383 IonicContact OE2-CZ 3.64Å; E357-R383 IonicContact OE2-NE 2.69Å; E357-R383 PolarHBondContact OE2-NE 3.32Å; E357-R383 IonicContact OE2-NH2 3.56Å
358S96.5Very high96.9Very high0 Ų036.2 Ų36.20%019%0.19CC..SBendtrans-13267.1-178.5-63.50000109.6C354 P355 Y376 R381C354-S358 PolarHBondContact O-N 3.47Å; P355-S358 CarbonylContact O-C 3.53Å; S358-Y376 VanDerWaalsContact CB-CD2 3.47Å; S358-R381 PolarHBondContact OG-O 2.9Å
359P95.9Very high97Very high61 Ų6135.5 Ų35.540%0.39618%0.182SC..THydrogen-bonded Turntrans-72157.2-171.930.9-36.3000112.3P355 L361 Y376P355-P359 WeakPolarHBondContact O-CA 3.31Å; P359-L361 VanDerWaalsContact C-N 3.35Å; P359-L361 PolarHBondContact O-N 3.03Å; P359-Y376 WeakPolarHBondContact O-CE2 3.42Å; P359-Y376 PolarHBondContact O-OH 3.33Å
360G95.3Very high97Very high18 Ų1834 Ų3419%0.18618%0.175CC..THydrogen-bonded Turntrans87-6172.800000115.2D362 E363 V364G360-D362 VanDerWaalsContact C-N 3.26Å; G360-D362 PolarHBondContact O-N 2.74Å; G360-E363 WeakPolarHBondContact O-CB 3.27Å; G360-E363 PolarHBondContact O-N 3.22Å; G360-V364 PolarHBondContact O-N 3.44Å
361L97Very high97Very high0 Ų040.5 Ų40.50%021%0.205CC..G310 helixtrans-60.9-33.6179.1-74.3176.1000113.1W306 M353 P359 E363 F369 L372 Y373 Y376 K410W306-L361 HydrophobicContact CD2-CB 4.47Å; W306-L361 HydrophobicContact CD2-CD1 3.92Å; W306-L361 HydrophobicContact CE3-CD1 3.97Å; W306-L361 HydrophobicContact CG-CD1 4.42Å; W306-L361 HydrophobicContact CH2-CB 4.11Å; W306-L361 HydrophobicContact CZ2-CB 3.66Å; W306-L361 HydrophobicContact CZ2-CD1 4.47Å; W306-L361 HydrophobicContact CZ3-CD1 4.29Å; M353-L361 HydrophobicContact SD-CD1 3.79Å; P359-L361 VanDerWaalsContact C-N 3.35Å; P359-L361 PolarHBondContact O-N 3.03Å; L361-E363 VanDerWaalsContact C-N 3.27Å; L361-E363 PolarHBondContact O-N 3.34Å; L361-F369 HydrophobicContact CB-CE2 4.12Å; L361-F369 HydrophobicContact CD2-CD2 4.22Å; L361-F369 HydrophobicContact CD2-CE2 3.94Å; L361-F369 WeakPolarHBondContact O-CD2 3.43Å; L361-L372 HydrophobicContact CD2-CB 4.35Å; L361-L372 HydrophobicContact CD2-CD2 4.13Å; L361-L372 HydrophobicContact CD2-CG 4.02Å; L361-Y373 HydrophobicContact CD1-CD2 4.35Å; L361-Y373 HydrophobicContact CD2-CD2 4.37Å; L361-Y376 HydrophobicContact CD1-CD2 4.28Å; L361-Y376 HydrophobicContact CD2-CD2 4.12Å; L361-Y376 HydrophobicContact CD2-CE2 4.26Å; L361-Y376 HydrophobicContact CG-CD2 4.16Å; L361-Y376 HydrophobicContact CG-CE2 4.09Å; L361-K410 PolarHBondContact O-NZ 2.81Å
362D94.8Very high97Very high12 Ų1242.2 Ų42.26%0.06421%0.214CC..G310 helixtrans-77.3-12.7175.767.2-59.8000113.1H255 W306 G360 R426H255-D362 HydrophobicContact CB-CB 3.78Å; W306-D362 HydrophobicContact CZ2-CB 4.48Å; G360-D362 VanDerWaalsContact C-N 3.26Å; G360-D362 PolarHBondContact O-N 2.74Å; D362-R426 IonicContact OD2-CZ 2.75Å; D362-R426 IonicContact OD2-NE 3.87Å; D362-R426 PolarHBondContact OD2-NE 3.45Å; D362-R426 IonicContact OD2-NH2 3.4Å
363E95.1Very high97Very high105 Ų10542 Ų4249%0.49121%0.213SC..G310 helixtrans-95.4-8.4-177.4-48-160141.300113.5G360 L361 T424 R426G360-E363 WeakPolarHBondContact O-CB 3.27Å; G360-E363 PolarHBondContact O-N 3.22Å; L361-E363 VanDerWaalsContact C-N 3.27Å; L361-E363 PolarHBondContact O-N 3.34Å; E363-T424 VanDerWaalsContact C-OG1 3.27Å; E363-T424 VanDerWaalsContact O-CB 3.28Å; E363-T424 WeakPolarHBondContact O-CB 3.12Å; E363-T424 PolarHBondContact O-OG1 2.66Å; E363-R426 IonicContact OE1-NH2 2.72Å; E363-R426 PolarHBondContact OE1-NH2 3.29Å
364V97.3Very high97Very high27 Ų2746.3 Ų46.316%0.16423%0.233CC..  trans-124.5157.5179.5-64.50000111G360 Q368 F369 L372 K410G360-V364 PolarHBondContact O-N 3.44Å; V364-Q368 HydrophobicContact CB-CB 4.06Å; V364-Q368 HydrophobicContact CG1-CB 4.34Å; V364-F369 HydrophobicContact CG2-CB 3.95Å; V364-F369 HydrophobicContact CG2-CD2 4.25Å; V364-L372 HydrophobicContact CG2-CB 4.49Å; V364-L372 HydrophobicContact CG2-CD2 3.87Å; V364-K410 WeakPolarHBondContact O-CE 3.38Å; V364-K410 PolarHBondContact O-NZ 3.47Å
365W98.1Very high97Very high56 Ų5651.7 Ų51.721%0.21226%0.256CS..  trans-145.2166.2178.564.6-87.2000110.5K410 D411 N414 R415 T424W365-K410 HydrophobicContact CB-CG 4.32Å; W365-D411 WeakPolarHBondContact CB-OD1 3.43Å; W365-N414 HydrophobicContact CB-CB 4.14Å; W365-N414 HydrophobicContact CD2-CB 3.4Å; W365-N414 HydrophobicContact CE3-CB 3.91Å; W365-N414 HydrophobicContact CG-CB 3.48Å; W365-N414 VanDerWaalsContact CG-CB 3.48Å; W365-N414 HydrophobicContact CZ2-CB 4.28Å; W365-R415 HydrophobicContact CE3-CB 4.37Å; W365-R415 VanDerWaalsContact CH2-CA 3.46Å; W365-R415 HydrophobicContact CH2-CB 3.81Å; W365-R415 HydrophobicContact CH2-CG 4.13Å; W365-R415 HydrophobicContact CZ3-CB 3.49Å; W365-R415 VanDerWaalsContact CZ3-CB 3.49Å; W365-R415 HydrophobicContact CZ3-CG 3.96Å; W365-T424 HydrophobicContact CB-CG2 4.39Å
366G97.8Very high97.1Very high2 Ų252 Ų522%0.02126%0.256CS..THydrogen-bonded Turntrans57.2-140.4-178.500000112.8Q368 F369 D370 D411G366-Q368 PolarHBondContact O-N 3.07Å; G366-Q368 VanDerWaalsContact O-N 3.13Å; G366-F369 WeakPolarHBondContact O-CA 3.49Å; G366-F369 WeakPolarHBondContact O-CB 3.44Å; G366-F369 PolarHBondContact O-N 2.89Å; G366-D370 PolarHBondContact O-N 3.2Å; G366-D411 PolarHBondContact N-OD1 3.27Å
367D97.6Very high97.2Very high116 Ų11648.9 Ų48.962%0.6224%0.242SC*.Hα-helixtrans-59.1-31-174.6-56.2-7.4000113.3D370 Q371D367-D370 PolarHBondContact O-N 3.34Å; D367-Q371 WeakPolarHBondContact O-CB 3.29Å; D367-Q371 VanDerWaalsContact O-CG 3.24Å; D367-Q371 WeakPolarHBondContact O-CG 3.48Å; D367-Q371 PolarHBondContact O-N 2.87Å
368Q97.9Very high97.2Very high124 Ų12450.4 Ų50.458%0.57926%0.264SS*.Hα-helixtrans-67.5-38.5175.8-67.2-178.5-1100111.9V364 G366 L372V364-Q368 HydrophobicContact CB-CB 4.06Å; V364-Q368 HydrophobicContact CG1-CB 4.34Å; G366-Q368 PolarHBondContact O-N 3.07Å; G366-Q368 VanDerWaalsContact O-N 3.13Å; Q368-L372 WeakPolarHBondContact O-CB 3.42Å; Q368-L372 PolarHBondContact O-N 3.18Å; Q368-L372 VanDerWaalsContact O-N 3.15Å
369F98.4Very high97.3Very high0 Ų054.9 Ų54.90%029%0.286CS..Hα-helixtrans-64.7-46.3173.2173.3-88.5000110.8W306 P337 L339 L361 V364 G366 Q371 L372 Y373W306-F369 AromaticContact CD1-CE2 3.83Å; W306-F369 AromaticContact CD1-CZ 3.59Å; W306-F369 AromaticContact NE1-CE2 3.58Å; W306-F369 AromaticContact NE1-CZ 3.85Å; P337-F369 HydrophobicContact CB-CD1 3.81Å; P337-F369 HydrophobicContact CB-CE1 3.48Å; P337-F369 VanDerWaalsContact CB-CE1 3.48Å; P337-F369 HydrophobicContact CB-CZ 3.91Å; P337-F369 HydrophobicContact CG-CD1 4.47Å; P337-F369 HydrophobicContact CG-CE1 3.65Å; P337-F369 HydrophobicContact CG-CZ 3.73Å; L339-F369 HydrophobicContact CB-CE1 4.25Å; L339-F369 HydrophobicContact CD2-CE1 4.13Å; L361-F369 HydrophobicContact CB-CE2 4.12Å; L361-F369 HydrophobicContact CD2-CD2 4.22Å; L361-F369 HydrophobicContact CD2-CE2 3.94Å; L361-F369 WeakPolarHBondContact O-CD2 3.43Å; V364-F369 HydrophobicContact CG2-CB 3.95Å; V364-F369 HydrophobicContact CG2-CD2 4.25Å; G366-F369 WeakPolarHBondContact O-CA 3.49Å; G366-F369 WeakPolarHBondContact O-CB 3.44Å; G366-F369 PolarHBondContact O-N 2.89Å; F369-Q371 PolarHBondContact O-N 3.35Å; F369-L372 PolarHBondContact O-N 3.12Å; F369-Y373 HydrophobicContact CE1-CD2 4.48Å; F369-Y373 HydrophobicContact CE1-CG 4.38Å; F369-Y373 HydrophobicContact CZ-CD2 4.09Å; F369-Y373 HydrophobicContact CZ-CG 4.4Å; F369-Y373 VanDerWaalsContact O-CB 3.24Å; F369-Y373 WeakPolarHBondContact O-CB 3.39Å; F369-Y373 PolarHBondContact O-N 3.04Å
370D98.2Very high97.3Very high19 Ų1954 Ų5410%0.10229%0.288CS..Hα-helixtrans-58-49.7-178.9-62.5-11.3000111.1L339 R342 G366 D367 L372 Y373 E374L339-D370 WeakPolarHBondContact CB-OD1 3.29Å; R342-D370 IonicContact CZ-OD2 3.78Å; R342-D370 IonicContact NH1-OD2 3.57Å; R342-D370 VanDerWaalsContact NH2-CG 3.26Å; R342-D370 IonicContact NH2-OD1 2.86Å; R342-D370 PolarHBondContact NH2-OD1 2.94Å; R342-D370 IonicContact NH2-OD2 3.97Å; R342-D370 PolarHBondContact NH2-OD2 3.14Å; G366-D370 PolarHBondContact O-N 3.2Å; D367-D370 PolarHBondContact O-N 3.34Å; D370-L372 PolarHBondContact O-N 3.05Å; D370-Y373 PolarHBondContact O-N 3.35Å; D370-E374 WeakPolarHBondContact O-CB 3.36Å; D370-E374 VanDerWaalsContact O-CG 3.28Å; D370-E374 WeakPolarHBondContact O-CG 3.48Å; D370-E374 PolarHBondContact O-N 3.37Å
371Q98Very high97.3Very high136 Ų13657.2 Ų57.264%0.63629%0.294SS*.Hα-helixtrans-60.6-43.8178.1-70.9170.318.400112.6D367 F369 K375D367-Q371 WeakPolarHBondContact O-CB 3.29Å; D367-Q371 VanDerWaalsContact O-CG 3.24Å; D367-Q371 WeakPolarHBondContact O-CG 3.48Å; D367-Q371 PolarHBondContact O-N 2.87Å; F369-Q371 PolarHBondContact O-N 3.35Å; Q371-K375 VanDerWaalsContact O-CB 3.25Å; Q371-K375 WeakPolarHBondContact O-CB 3.41Å; Q371-K375 PolarHBondContact O-N 3.13Å
372L98.1Very high97.2Very high35 Ų3561.3 Ų61.318%0.18331%0.31CS..Hα-helixtrans-69-43-179.1-175.760.2000111.8L361 V364 Q368 F369 D370 K375 Y376L361-L372 HydrophobicContact CD2-CB 4.35Å; L361-L372 HydrophobicContact CD2-CD2 4.13Å; L361-L372 HydrophobicContact CD2-CG 4.02Å; V364-L372 HydrophobicContact CG2-CB 4.49Å; V364-L372 HydrophobicContact CG2-CD2 3.87Å; Q368-L372 WeakPolarHBondContact O-CB 3.42Å; Q368-L372 PolarHBondContact O-N 3.18Å; Q368-L372 VanDerWaalsContact O-N 3.15Å; F369-L372 PolarHBondContact O-N 3.12Å; D370-L372 PolarHBondContact O-N 3.05Å; L372-K375 WeakPolarHBondContact O-CB 3.45Å; L372-K375 PolarHBondContact O-N 2.69Å; L372-Y376 HydrophobicContact CD1-CD2 4.38Å; L372-Y376 HydrophobicContact CD1-CE1 4.08Å; L372-Y376 HydrophobicContact CD1-CE2 3.72Å; L372-Y376 HydrophobicContact CD2-CE2 4.15Å; L372-Y376 HydrophobicContact CG-CD2 4.18Å; L372-Y376 HydrophobicContact CG-CE2 3.66Å; L372-Y376 WeakPolarHBondContact O-CD2 3.39Å; L372-Y376 PolarHBondContact O-N 3Å; L372-Y376 VanDerWaalsContact O-N 3.07Å
373Y98.4Very high97.2Very high0 Ų066 Ų660%033%0.327CS..Hα-helixtrans-64.3-46.6178178.7-85.2000111.3W306 L339 W350 C351 M353 L361 F369 D370 K375 Y376 E377W306-Y373 HydrophobicContact CB-CD2 4.42Å; W306-Y373 HydrophobicContact CB-CE2 3.82Å; L339-Y373 HydrophobicContact CD2-CD1 3.42Å; L339-Y373 VanDerWaalsContact CD2-CD1 3.42Å; L339-Y373 HydrophobicContact CD2-CE1 3.96Å; L339-Y373 HydrophobicContact CD2-CG 3.95Å; W350-Y373 HydrophobicContact CE3-CE1 4.26Å; W350-Y373 AromaticContact CE3-CZ 3.86Å; W350-Y373 VanDerWaalsContact CE3-OH 3.28Å; W350-Y373 HydrophobicContact CH2-CE1 4.46Å; W350-Y373 AromaticContact CH2-CE2 3.98Å; W350-Y373 HydrophobicContact CH2-CE2 3.98Å; W350-Y373 AromaticContact CH2-CZ 3.91Å; W350-Y373 HydrophobicContact CZ2-CE2 4.22Å; W350-Y373 AromaticContact CZ3-CE1 3.93Å; W350-Y373 HydrophobicContact CZ3-CE1 3.93Å; W350-Y373 HydrophobicContact CZ3-CE2 4.22Å; W350-Y373 AromaticContact CZ3-CZ 3.67Å; C351-Y373 WeakPolarHBondContact CA-OH 3.41Å; C351-Y373 WeakPolarHBondContact CB-OH 3.28Å; C351-Y373 PolarHBondContact N-OH 3.43Å; C351-Y373 PolarHBondContact O-OH 2.96Å; C351-Y373 VanDerWaalsContact O-OH 3.09Å; M353-Y373 HydrophobicContact CE-CD2 3.97Å; M353-Y373 HydrophobicContact CE-CE2 3.79Å; M353-Y373 HydrophobicContact CE-CG 4.45Å; M353-Y373 HydrophobicContact SD-CD2 4.2Å; M353-Y373 HydrophobicContact SD-CE2 4.2Å; L361-Y373 HydrophobicContact CD1-CD2 4.35Å; L361-Y373 HydrophobicContact CD2-CD2 4.37Å; F369-Y373 HydrophobicContact CE1-CD2 4.48Å; F369-Y373 HydrophobicContact CE1-CG 4.38Å; F369-Y373 HydrophobicContact CZ-CD2 4.09Å; F369-Y373 HydrophobicContact CZ-CG 4.4Å; F369-Y373 VanDerWaalsContact O-CB 3.24Å; F369-Y373 WeakPolarHBondContact O-CB 3.39Å; F369-Y373 PolarHBondContact O-N 3.04Å; D370-Y373 PolarHBondContact O-N 3.35Å; Y373-K375 VanDerWaalsContact C-N 3.32Å; Y373-K375 PolarHBondContact O-N 3.03Å; Y373-Y376 PolarHBondContact O-N 3.41Å; Y373-E377 WeakPolarHBondContact O-CB 3.35Å; Y373-E377 PolarHBondContact O-N 3.45Å
374E97.8Very high97.2Very high90 Ų9066.4 Ų66.442%0.42132%0.324SS..Hα-helixtrans-66.9-34178.6-70.7-178.3161.600112.2R343 D370 E377 A378R343-E374 IonicContact NH2-OE1 3.58Å; R343-E374 PolarHBondContact NH2-OE1 3.21Å; D370-E374 WeakPolarHBondContact O-CB 3.36Å; D370-E374 VanDerWaalsContact O-CG 3.28Å; D370-E374 WeakPolarHBondContact O-CG 3.48Å; D370-E374 PolarHBondContact O-N 3.37Å; E374-E377 PolarHBondContact O-N 2.97Å; E374-A378 WeakPolarHBondContact O-CB 3.32Å; E374-A378 PolarHBondContact O-N 2.81Å
375K98Very high97.2Very high112 Ų11269.9 Ų69.949%0.48734%0.337SS..Hα-helixtrans-59-49.7169.7175.7-177.1172.6-177.90111.5Q371 L372 Y373 E377 A378 E379Q371-K375 VanDerWaalsContact O-CB 3.25Å; Q371-K375 WeakPolarHBondContact O-CB 3.41Å; Q371-K375 PolarHBondContact O-N 3.13Å; L372-K375 WeakPolarHBondContact O-CB 3.45Å; L372-K375 PolarHBondContact O-N 2.69Å; Y373-K375 VanDerWaalsContact C-N 3.32Å; Y373-K375 PolarHBondContact O-N 3.03Å; K375-E377 VanDerWaalsContact C-N 3.33Å; K375-E377 PolarHBondContact O-N 3.44Å; K375-A378 PolarHBondContact O-N 3.03Å; K375-E379 WeakPolarHBondContact CE-OE1 3.39Å; K375-E379 WeakPolarHBondContact CG-OE1 3.38Å; K375-E379 IonicContact NZ-OE1 3.82Å; K375-E379 WeakPolarHBondContact O-CB 3.44Å; K375-E379 WeakPolarHBondContact O-CG 3.34Å; K375-E379 PolarHBondContact O-N 3.41Å
376Y98Very high97.2Very high17 Ų1767.8 Ų67.87%0.06733%0.33CS..Hα-helixtrans-66.1-34.8178.3-66.9-30.7000112.9M353 S358 P359 L361 L372 Y373 E379 G380 R381M353-Y376 HydrophobicContact SD-CD2 4.29Å; S358-Y376 VanDerWaalsContact CB-CD2 3.47Å; P359-Y376 WeakPolarHBondContact O-CE2 3.42Å; P359-Y376 PolarHBondContact O-OH 3.33Å; L361-Y376 HydrophobicContact CD1-CD2 4.28Å; L361-Y376 HydrophobicContact CD2-CD2 4.12Å; L361-Y376 HydrophobicContact CD2-CE2 4.26Å; L361-Y376 HydrophobicContact CG-CD2 4.16Å; L361-Y376 HydrophobicContact CG-CE2 4.09Å; L372-Y376 HydrophobicContact CD1-CD2 4.38Å; L372-Y376 HydrophobicContact CD1-CE1 4.08Å; L372-Y376 HydrophobicContact CD1-CE2 3.72Å; L372-Y376 HydrophobicContact CD2-CE2 4.15Å; L372-Y376 HydrophobicContact CG-CD2 4.18Å; L372-Y376 HydrophobicContact CG-CE2 3.66Å; L372-Y376 WeakPolarHBondContact O-CD2 3.39Å; L372-Y376 PolarHBondContact O-N 3Å; L372-Y376 VanDerWaalsContact O-N 3.07Å; Y373-Y376 PolarHBondContact O-N 3.41Å; Y376-E379 PolarHBondContact O-N 2.83Å; Y376-G380 PolarHBondContact O-N 2.62Å; Y376-R381 VanDerWaalsContact CE1-CZ 3.42Å; Y376-R381 PolarHBondContact O-N 3.26Å
377E96.9Very high97.2Very high37 Ų3772 Ų7217%0.17335%0.347CS..Hα-helixtrans-61-44.5172.1-178.6167.494.500111.2R343 C351 M353 Y373 E374 K375 G380R343-E377 IonicContact CZ-OE1 2.65Å; R343-E377 IonicContact NH1-OE1 3.6Å; R343-E377 PolarHBondContact NH1-OE1 3.32Å; R343-E377 IonicContact NH1-OE2 2.86Å; R343-E377 PolarHBondContact NH1-OE2 3.05Å; R343-E377 IonicContact NH2-OE1 2.7Å; R343-E377 PolarHBondContact NH2-OE1 3.23Å; C351-E377 PolarHBondContact SG-OE2 2.83Å; M353-E377 HydrophobicContact CE-CB 4.3Å; Y373-E377 WeakPolarHBondContact O-CB 3.35Å; Y373-E377 PolarHBondContact O-N 3.45Å; E374-E377 PolarHBondContact O-N 2.97Å; K375-E377 VanDerWaalsContact C-N 3.33Å; K375-E377 PolarHBondContact O-N 3.44Å; E377-G380 PolarHBondContact O-N 3.32Å
378A97Very high97.2Very high91 Ų9166.4 Ų66.475%0.75232%0.318SS*.Hα-helixtrans-69.2-35177.100000113.4E374 K375 G380E374-A378 WeakPolarHBondContact O-CB 3.32Å; E374-A378 PolarHBondContact O-N 2.81Å; K375-A378 PolarHBondContact O-N 3.03Å; A378-G380 PolarHBondContact O-N 3.18Å
379E97.1Very high97.2Very high95 Ų9563.3 Ų63.344%0.44430%0.303SS..THydrogen-bonded Turntrans-72.6-7.6174.1-72174.9-175.700113.1K375 Y376 R381K375-E379 WeakPolarHBondContact CE-OE1 3.39Å; K375-E379 WeakPolarHBondContact CG-OE1 3.38Å; K375-E379 IonicContact NZ-OE1 3.82Å; K375-E379 WeakPolarHBondContact O-CB 3.44Å; K375-E379 WeakPolarHBondContact O-CG 3.34Å; K375-E379 PolarHBondContact O-N 3.41Å; Y376-E379 PolarHBondContact O-N 2.83Å; E379-R381 VanDerWaalsContact C-N 3.31Å; E379-R381 HydrophobicContact CB-CG 3.99Å; E379-R381 PolarHBondContact O-N 2.96Å; E379-R381 WeakPolarHBondContact OE2-CD 3.29Å; E379-R381 IonicContact OE2-CZ 2.69Å; E379-R381 IonicContact OE2-NE 3.15Å; E379-R381 IonicContact OE2-NH1 2.69Å; E379-R381 PolarHBondContact OE2-NH1 2.94Å
380G95.6Very high97.1Very high43 Ų4367.6 Ų67.644%0.44332%0.323SS..THydrogen-bonded Turntrans7419-177.100000114.1Y376 E377 A378 Y382Y376-G380 PolarHBondContact O-N 2.62Å; E377-G380 PolarHBondContact O-N 3.32Å; A378-G380 PolarHBondContact O-N 3.18Å; G380-Y382 PolarHBondContact O-N 3.41Å
381R95.5Very high97.1Very high84 Ų8466.7 Ų66.732%0.31732%0.318SS..  trans-84.961.8-177.9-66.7168.568.7170.83.2111.4M353 E357 S358 Y376 E379M353-R381 WeakPolarHBondContact CG-O 3.45Å; E357-R381 PolarHBondContact O-NE 3.47Å; E357-R381 PolarHBondContact O-NH2 2.89Å; S358-R381 PolarHBondContact OG-O 2.9Å; Y376-R381 VanDerWaalsContact CE1-CZ 3.42Å; Y376-R381 PolarHBondContact O-N 3.26Å; E379-R381 VanDerWaalsContact C-N 3.31Å; E379-R381 HydrophobicContact CB-CG 3.99Å; E379-R381 PolarHBondContact O-N 2.96Å; E379-R381 WeakPolarHBondContact OE2-CD 3.29Å; E379-R381 IonicContact OE2-CZ 2.69Å; E379-R381 IonicContact OE2-NE 3.15Å; E379-R381 IonicContact OE2-NH1 2.69Å; E379-R381 PolarHBondContact OE2-NH1 2.94Å
382Y95.9Very high97.1Very high87 Ų8760.4 Ų60.434%0.34129%0.289SS..  trans-141.3153.6176.361.3-97000110.9C351 L352 G380 K385C351-Y382 HydrophobicContact CB-CD1 4.24Å; C351-Y382 HydrophobicContact CB-CG 3.99Å; L352-Y382 WeakPolarHBondContact O-CB 3.34Å; G380-Y382 PolarHBondContact O-N 3.41Å; Y382-K385 HydrophobicContact CD2-CB 4.11Å; Y382-K385 HydrophobicContact CE2-CB 3.64Å
383R94.7Very high97.1Very high109 Ų10964 Ų6441%0.41130%0.301SS..SBendtrans-86.3-36.1177.9-66.6-64.8-173.8160.18112.5S262 A308 L352 C354 E357S262-R383 PolarHBondContact OG-NH2 3.49Å; A308-R383 HydrophobicContact CB-CB 4.14Å; A308-R383 HydrophobicContact CB-CG 4.14Å; L352-R383 PolarHBondContact O-N 3Å; C354-R383 HydrophobicContact CB-CG 4.49Å; E357-R383 VanDerWaalsContact CD-CZ 3.48Å; E357-R383 VanDerWaalsContact CD-NE 3.29Å; E357-R383 VanDerWaalsContact CD-NH2 3.28Å; E357-R383 IonicContact OE1-CZ 3.63Å; E357-R383 IonicContact OE1-NE 2.99Å; E357-R383 PolarHBondContact OE1-NE 3.27Å; E357-R383 VanDerWaalsContact OE1-NE 3.17Å; E357-R383 IonicContact OE1-NH1 3.25Å; E357-R383 IonicContact OE1-NH2 3.99Å; E357-R383 PolarHBondContact OE1-NH2 3.39Å; E357-R383 WeakPolarHBondContact OE2-CD 3.36Å; E357-R383 IonicContact OE2-CZ 3.64Å; E357-R383 IonicContact OE2-NE 2.69Å; E357-R383 PolarHBondContact OE2-NE 3.32Å; E357-R383 IonicContact OE2-NH2 3.56Å
384R95.7Very high97Very high115 Ų11564.6 Ų64.643%0.43431%0.305SS..EExtended strand (participates in β ladder)trans-151.4132-177.5-179.7176.2173.5-169-3.9110.4L352 L386L352-R384 HydrophobicContact CB-CB 4.25Å; L352-R384 WeakPolarHBondContact CB-O 3.29Å; L352-R384 HydrophobicContact CD1-CB 4.41Å; L352-R384 PolarHBondContact N-O 2.87Å; L352-R384 PolarHBondContact O-N 2.8Å; R384-L386 HydrophobicContact CG-CD2 4.41Å
385K96.7Very high97Very high100 Ų10060.3 Ų60.344%0.43529%0.285SS..EExtended strand (participates in β ladder)trans-104.6132.5170.8-173172.6-178.1-165.10109.3D349 Y382D349-K385 HydrophobicContact CB-CD 4.41Å; D349-K385 HydrophobicContact CB-CG 4.2Å; D349-K385 VanDerWaalsContact CG-CE 3.46Å; D349-K385 WeakPolarHBondContact OD2-CE 3.37Å; D349-K385 IonicContact OD2-NZ 2.68Å; D349-K385 PolarHBondContact OD2-NZ 3.45Å; Y382-K385 HydrophobicContact CD2-CB 4.11Å; Y382-K385 HydrophobicContact CE2-CB 3.64Å
386L97.2Very high97Very high11 Ų1155 Ų556%0.05826%0.262CS..EExtended strand (participates in β ladder)trans-146.6168.4-17758.288.1000110.8F311 D349 W350 L352 R384 Q390 L391F311-L386 HydrophobicContact CE2-CD2 3.58Å; F311-L386 HydrophobicContact CZ-CD2 3.98Å; D349-L386 CarbonylContact C-O 3.33Å; D349-L386 WeakPolarHBondContact CA-O 3.37Å; W350-L386 HydrophobicContact CB-CD1 4.22Å; W350-L386 PolarHBondContact N-O 3.07Å; W350-L386 PolarHBondContact O-N 3.49Å; L352-L386 HydrophobicContact CD1-CD2 3.66Å; L352-L386 HydrophobicContact CG-CD2 3.88Å; R384-L386 HydrophobicContact CG-CD2 4.41Å; L386-Q390 HydrophobicContact CD1-CB 4.4Å; L386-L391 HydrophobicContact CD1-CB 4.05Å
387K97.9Very high96.9Very high90 Ų9057.1 Ų57.139%0.39127%0.273SS..EExtended strand (participates in β ladder)trans-71.8131.9172.1-74.8-65.7-174.6-169.80110.7D347 D349 Q389 Q390D347-K387 PolarHBondContact O-NZ 2.75Å; D349-K387 WeakPolarHBondContact OD1-CD 3.5Å; D349-K387 WeakPolarHBondContact OD1-CE 3.41Å; D349-K387 IonicContact OD1-NZ 3.15Å; D349-K387 PolarHBondContact OD1-NZ 3.38Å; K387-Q389 PolarHBondContact O-N 3.35Å; K387-Q389 VanDerWaalsContact O-N 3.11Å; K387-Q390 HydrophobicContact CB-CB 4.49Å; K387-Q390 VanDerWaalsContact O-CB 3.24Å; K387-Q390 WeakPolarHBondContact O-CB 2.96Å; K387-Q390 PolarHBondContact O-N 2.8Å
388A97.9Very high96.8Very high0 Ų055.5 Ų55.50%027%0.266CS..Hα-helixtrans-55.2-35.7-17900000112.1F340 R343 I344 G348 W350 Q390 L391 W392F340-A388 HydrophobicContact CE2-CB 4.49Å; R343-A388 HydrophobicContact CB-CB 3.88Å; I344-A388 HydrophobicContact CB-CB 4.5Å; I344-A388 HydrophobicContact CG1-CB 3.82Å; G348-A388 WeakPolarHBondContact O-CB 3.4Å; G348-A388 PolarHBondContact O-N 2.97Å; W350-A388 HydrophobicContact CB-CB 3.97Å; A388-Q390 VanDerWaalsContact C-N 3.29Å; A388-Q390 PolarHBondContact O-N 2.87Å; A388-L391 PolarHBondContact O-N 3.19Å; A388-W392 PolarHBondContact O-N 3.39Å
389Q97.2Very high96.8Very high58 Ų5851.2 Ų51.227%0.27123%0.23SC..Hα-helixtrans-62-31174.5-63.5-170.11.200113.8I344 K387 L391 W392 Y393I344-Q389 HydrophobicContact CG2-CG 4.2Å; I344-Q389 PolarHBondContact O-NE2 3.38Å; K387-Q389 PolarHBondContact O-N 3.35Å; K387-Q389 VanDerWaalsContact O-N 3.11Å; Q389-L391 PolarHBondContact O-N 3.37Å; Q389-W392 WeakPolarHBondContact O-CB 3.49Å; Q389-W392 PolarHBondContact O-N 2.9Å; Q389-Y393 HydrophobicContact CB-CE2 4.24Å; Q389-Y393 WeakPolarHBondContact O-CD2 3.32Å; Q389-Y393 VanDerWaalsContact O-CG 3.32Å; Q389-Y393 PolarHBondContact O-N 3.3Å
390Q97.6Very high96.7Very high90 Ų9049.2 Ų49.242%0.42122%0.222SC..Hα-helixtrans-63.2-43.1176.1-176.3179.59.100111.3L386 K387 A388 A394L386-Q390 HydrophobicContact CD1-CB 4.4Å; K387-Q390 HydrophobicContact CB-CB 4.49Å; K387-Q390 VanDerWaalsContact O-CB 3.24Å; K387-Q390 WeakPolarHBondContact O-CB 2.96Å; K387-Q390 PolarHBondContact O-N 2.8Å; A388-Q390 VanDerWaalsContact C-N 3.29Å; A388-Q390 PolarHBondContact O-N 2.87Å; Q390-A394 PolarHBondContact O-N 2.91Å
391L97.9Very high96.5Very high0 Ų051.2 Ų51.20%022%0.22CC..Hα-helixtrans-68.4-40.3174.317956.6000110.9P305 I310 F311 L314 F340 L352 L386 A388 Q389 Y393 A394 I395P305-L391 HydrophobicContact CB-CD2 4.07Å; P305-L391 VanDerWaalsContact O-CD2 3.28Å; P305-L391 WeakPolarHBondContact O-CD2 3.48Å; I310-L391 HydrophobicContact CG1-CD1 3.86Å; I310-L391 HydrophobicContact CG1-CD2 4.29Å; I310-L391 HydrophobicContact CG2-CD1 3.82Å; I310-L391 HydrophobicContact CG2-CD2 4.13Å; F311-L391 HydrophobicContact CE1-CD1 4.12Å; F311-L391 HydrophobicContact CE2-CD1 4.31Å; F311-L391 HydrophobicContact CZ-CB 4.35Å; F311-L391 HydrophobicContact CZ-CD1 4.01Å; L314-L391 HydrophobicContact CD1-CD1 3.82Å; F340-L391 HydrophobicContact CE2-CB 4.33Å; F340-L391 HydrophobicContact CE2-CD2 3.76Å; F340-L391 HydrophobicContact CE2-CG 4.23Å; F340-L391 HydrophobicContact CZ-CB 4.24Å; F340-L391 HydrophobicContact CZ-CD2 3.79Å; F340-L391 HydrophobicContact CZ-CG 3.9Å; L352-L391 HydrophobicContact CD2-CD2 4.5Å; L386-L391 HydrophobicContact CD1-CB 4.05Å; A388-L391 PolarHBondContact O-N 3.19Å; Q389-L391 PolarHBondContact O-N 3.37Å; L391-Y393 VanDerWaalsContact C-N 3.31Å; L391-Y393 PolarHBondContact O-N 2.94Å; L391-A394 PolarHBondContact O-N 2.89Å; L391-A394 VanDerWaalsContact O-N 3.14Å; L391-I395 HydrophobicContact CG-CD1 4.18Å; L391-I395 WeakPolarHBondContact O-CG1 3.37Å; L391-I395 PolarHBondContact O-N 2.97Å
392W98Very high96.4Very high4 Ų448.8 Ų48.82%0.01521%0.214CC..Hα-helixtrans-56.6-43.4175.8-174-112.7000113.2F340 M341 I344 A388 Q389 A394 I395 I396 M407 T727 H730 F731F340-W392 HydrophobicContact CE1-CE3 4.16Å; M341-W392 HydrophobicContact CE-CH2 4.04Å; M341-W392 HydrophobicContact CE-CZ3 4.3Å; M341-W392 HydrophobicContact SD-CH2 4.34Å; M341-W392 HydrophobicContact SD-CZ3 4Å; I344-W392 HydrophobicContact CD1-CB 3.96Å; I344-W392 HydrophobicContact CD1-CD2 3.74Å; I344-W392 HydrophobicContact CD1-CE3 3.34Å; I344-W392 HydrophobicContact CD1-CG 4.03Å; I344-W392 HydrophobicContact CD1-CZ3 4.03Å; I344-W392 HydrophobicContact CG1-CB 4.12Å; I344-W392 HydrophobicContact CG1-CG 4.46Å; I344-W392 HydrophobicContact CG2-CB 4.19Å; I344-W392 HydrophobicContact CG2-CD2 4.31Å; I344-W392 HydrophobicContact CG2-CG 3.95Å; A388-W392 PolarHBondContact O-N 3.39Å; Q389-W392 WeakPolarHBondContact O-CB 3.49Å; Q389-W392 PolarHBondContact O-N 2.9Å; W392-A394 VanDerWaalsContact C-N 3.33Å; W392-A394 PolarHBondContact O-N 3.46Å; W392-I395 HydrophobicContact CE3-CD1 4.24Å; W392-I395 WeakPolarHBondContact O-CB 3.2Å; W392-I395 PolarHBondContact O-N 3.07Å; W392-I396 HydrophobicContact CD2-CD1 4.46Å; W392-I396 HydrophobicContact CZ2-CD1 4.19Å; W392-I396 PolarHBondContact O-N 3.01Å; W392-M407 HydrophobicContact CH2-CE 3.88Å; W392-M407 HydrophobicContact CZ3-CE 3.66Å; W392-T727 HydrophobicContact CZ2-CG2 4.48Å; W392-T727 PolarHBondContact NE1-OG1 3.37Å; W392-H730 HydrophobicContact CH2-CB 3.59Å; W392-H730 AromaticContact CH2-CD2 3.85Å; W392-H730 AromaticContact CH2-CG 3.94Å; W392-H730 HydrophobicContact CZ2-CB 3.83Å; W392-H730 AromaticContact CZ2-CD2 3.91Å; W392-F731 HydrophobicContact CH2-CE2 4.45Å; W392-F731 HydrophobicContact CZ2-CD2 4.12Å; W392-F731 AromaticContact CZ2-CE2 3.94Å; W392-F731 HydrophobicContact CZ2-CE2 3.94Å
393Y97.3Very high96.4Very high112 Ų11245.1 Ų45.144%0.43920%0.203SC..Hα-helixtrans-62-39.8176.3-70.8-45.5000112.5Q389 L391 I396 E397 Y723Q389-Y393 HydrophobicContact CB-CE2 4.24Å; Q389-Y393 WeakPolarHBondContact O-CD2 3.32Å; Q389-Y393 VanDerWaalsContact O-CG 3.32Å; Q389-Y393 PolarHBondContact O-N 3.3Å; L391-Y393 VanDerWaalsContact C-N 3.31Å; L391-Y393 PolarHBondContact O-N 2.94Å; Y393-I396 PolarHBondContact O-N 3.25Å; Y393-E397 WeakPolarHBondContact O-CB 3.48Å; Y393-E397 PolarHBondContact O-N 2.89Å; Y393-Y723 AromaticContact CD1-CD1 3.42Å; Y393-Y723 HydrophobicContact CD1-CD1 3.42Å; Y393-Y723 VanDerWaalsContact CD1-CD1 3.42Å; Y393-Y723 AromaticContact CD1-CE1 3.67Å; Y393-Y723 HydrophobicContact CD1-CE1 3.67Å; Y393-Y723 HydrophobicContact CD1-CG 4.46Å; Y393-Y723 AromaticContact CE1-CD1 3.96Å; Y393-Y723 HydrophobicContact CE1-CD1 3.96Å; Y393-Y723 HydrophobicContact CG-CD1 4.43Å; Y393-Y723 HydrophobicContact CG-CE1 4.27Å
394A97.3Very high96.5Very high11 Ų1139.9 Ų39.99%0.09118%0.183CC..Hα-helixtrans-66.5-36.5175.300000112.7F311 L314 Q390 L391 W392 E397 S398F311-A394 HydrophobicContact CD1-CB 3.97Å; F311-A394 HydrophobicContact CE1-CB 3.73Å; L314-A394 HydrophobicContact CD1-CB 3.99Å; Q390-A394 PolarHBondContact O-N 2.91Å; L391-A394 PolarHBondContact O-N 2.89Å; L391-A394 VanDerWaalsContact O-N 3.14Å; W392-A394 VanDerWaalsContact C-N 3.33Å; W392-A394 PolarHBondContact O-N 3.46Å; A394-E397 PolarHBondContact O-N 3.07Å; A394-S398 PolarHBondContact O-N 2.84Å
395I98Very high96.6Very high0 Ų034.5 Ų34.50%016%0.163CC..Hα-helixtrans-61.7-49.5174.9-66167.4000110.1L314 L334 F340 L391 W392 S398 Q399 P405 M407L314-I395 HydrophobicContact CD1-CG1 3.78Å; L314-I395 HydrophobicContact CD2-CG1 4.03Å; L334-I395 HydrophobicContact CD1-CB 4.46Å; L334-I395 HydrophobicContact CD1-CD1 3.55Å; L334-I395 HydrophobicContact CD1-CG1 3.76Å; L334-I395 HydrophobicContact CD1-CG2 3.84Å; F340-I395 HydrophobicContact CE1-CD1 3.78Å; F340-I395 HydrophobicContact CZ-CD1 3.91Å; L391-I395 HydrophobicContact CG-CD1 4.18Å; L391-I395 WeakPolarHBondContact O-CG1 3.37Å; L391-I395 PolarHBondContact O-N 2.97Å; W392-I395 HydrophobicContact CE3-CD1 4.24Å; W392-I395 WeakPolarHBondContact O-CB 3.2Å; W392-I395 PolarHBondContact O-N 3.07Å; I395-S398 PolarHBondContact O-N 2.79Å; I395-Q399 VanDerWaalsContact O-CG 3.32Å; I395-Q399 WeakPolarHBondContact O-CG 3.5Å; I395-Q399 PolarHBondContact O-N 2.83Å; I395-P405 HydrophobicContact CG2-CG 4.31Å; I395-M407 HydrophobicContact CG2-CE 4.35Å; I395-M407 HydrophobicContact CG2-SD 4.02Å
396I97Very high96.6Very high0 Ų029.7 Ų29.70%014%0.142CC..Hα-helixtrans-63.7-43.1179.7-71.6-178.9000111.3W392 Y393 S398 Q399 I400 Y723 L726 T727W392-I396 HydrophobicContact CD2-CD1 4.46Å; W392-I396 HydrophobicContact CZ2-CD1 4.19Å; W392-I396 PolarHBondContact O-N 3.01Å; Y393-I396 PolarHBondContact O-N 3.25Å; I396-S398 PolarHBondContact O-N 3.36Å; I396-Q399 PolarHBondContact O-N 3.35Å; I396-Q399 VanDerWaalsContact O-N 3.16Å; I396-I400 HydrophobicContact CG2-CD1 3.84Å; I396-I400 HydrophobicContact CG2-CG1 4.35Å; I396-I400 WeakPolarHBondContact O-CG1 3.33Å; I396-I400 PolarHBondContact O-N 2.84Å; I396-Y723 HydrophobicContact CB-CD1 4.15Å; I396-Y723 HydrophobicContact CB-CE1 4.24Å; I396-Y723 HydrophobicContact CG2-CD1 3.68Å; I396-Y723 HydrophobicContact CG2-CE1 3.96Å; I396-Y723 HydrophobicContact CG2-CG 4.18Å; I396-L726 HydrophobicContact CD1-CB 4.23Å; I396-L726 HydrophobicContact CG1-CB 4.44Å; I396-L726 HydrophobicContact CG2-CB 4.24Å; I396-L726 HydrophobicContact CG2-CD1 3.73Å; I396-T727 WeakPolarHBondContact CD1-OG1 3.33Å
397E95.6Very high96.7Very high62 Ų6229.2 Ų29.229%0.2914%0.139SC..Hα-helixtrans-56.7-49.4176.5-173.1-173.8158.700110.8R318 Y393 A394 Q399 I400 E401R318-E397 IonicContact CZ-OE1 3.63Å; R318-E397 IonicContact NH1-OE1 3.25Å; R318-E397 PolarHBondContact NH1-OE1 2.96Å; R318-E397 VanDerWaalsContact NH1-OE1 3.16Å; R318-E397 IonicContact NH2-OE1 3.05Å; R318-E397 PolarHBondContact NH2-OE1 2.87Å; Y393-E397 WeakPolarHBondContact O-CB 3.48Å; Y393-E397 PolarHBondContact O-N 2.89Å; A394-E397 PolarHBondContact O-N 3.07Å; E397-Q399 VanDerWaalsContact C-N 3.29Å; E397-Q399 PolarHBondContact O-N 2.94Å; E397-I400 PolarHBondContact O-N 3Å; E397-E401 PolarHBondContact O-N 2.97Å
398S95.9Very high96.7Very high4 Ų424.9 Ų24.93%0.02812%0.121CC..Hα-helixtrans-57.7-41.7176177.90000112.3L314 A394 I395 I396 E401 T402 T404L314-S398 PolarHBondContact O-OG 3.31Å; A394-S398 PolarHBondContact O-N 2.84Å; I395-S398 PolarHBondContact O-N 2.79Å; I396-S398 PolarHBondContact O-N 3.36Å; S398-E401 PolarHBondContact O-N 3.09Å; S398-T402 WeakPolarHBondContact O-CB 3.48Å; S398-T402 PolarHBondContact O-N 2.63Å; S398-T402 PolarHBondContact O-OG1 3.01Å; S398-T404 CarbonylContact C-O 3.53Å; S398-T404 PolarHBondContact OG-O 3.36Å
399Q96.7Very high96.8Very high0 Ų024.9 Ų24.90%012%0.121CC..Hα-helixtrans-66.2-41.3179.6-72.8172.1-13.200112.2I395 I396 E397 E401 G403 T404 P405 M407 H730 M742 L745I395-Q399 VanDerWaalsContact O-CG 3.32Å; I395-Q399 WeakPolarHBondContact O-CG 3.5Å; I395-Q399 PolarHBondContact O-N 2.83Å; I396-Q399 PolarHBondContact O-N 3.35Å; I396-Q399 VanDerWaalsContact O-N 3.16Å; E397-Q399 VanDerWaalsContact C-N 3.29Å; E397-Q399 PolarHBondContact O-N 2.94Å; Q399-E401 VanDerWaalsContact C-N 3.32Å; Q399-E401 PolarHBondContact O-N 2.86Å; Q399-G403 WeakPolarHBondContact O-CA 3.38Å; Q399-G403 PolarHBondContact O-N 3.3Å; Q399-T404 VanDerWaalsContact CA-O 3.25Å; Q399-T404 WeakPolarHBondContact CA-O 3.42Å; Q399-T404 PolarHBondContact N-O 3.23Å; Q399-T404 VanDerWaalsContact N-O 3.12Å; Q399-P405 PolarHBondContact NE2-O 3.07Å; Q399-P405 VanDerWaalsContact NE2-O 3.16Å; Q399-M407 VanDerWaalsContact NE2-CG 3.3Å; Q399-M407 PolarHBondContact NE2-SD 2.76Å; Q399-H730 PolarHBondContact OE1-NE2 2.91Å; Q399-M742 HydrophobicContact CG-CE 3.86Å; Q399-M742 VanDerWaalsContact NE2-CE 3.3Å; Q399-L745 HydrophobicContact CB-CD2 4.08Å
400I94.3Very high96.8Very high54 Ų5422.1 Ų22.128%0.27711%0.108SC..Hα-helixtrans-62.4-42.5176.6-68.9171.7000110.4I396 E397 P721 L726I396-I400 HydrophobicContact CG2-CD1 3.84Å; I396-I400 HydrophobicContact CG2-CG1 4.35Å; I396-I400 WeakPolarHBondContact O-CG1 3.33Å; I396-I400 PolarHBondContact O-N 2.84Å; E397-I400 PolarHBondContact O-N 3Å; I400-P721 HydrophobicContact CG1-CB 4.11Å; I400-P721 HydrophobicContact CG1-CG 4.23Å; I400-P721 HydrophobicContact CG2-CG 4.27Å; I400-L726 HydrophobicContact CD1-CD1 3.92Å; I400-L726 HydrophobicContact CG1-CD1 3.53Å
401E92.7Very high96.9Very high85 Ų8517.9 Ų17.940%0.3979%0.088SC..Hα-helixtrans-77.2-37-176.6-70.7-169.9179.400114.2R318 E397 S398 Q399R318-E401 IonicContact CZ-OE1 3.77Å; R318-E401 IonicContact CZ-OE2 2.78Å; R318-E401 VanDerWaalsContact CZ-OE2 3.26Å; R318-E401 IonicContact NE-OE1 3.63Å; R318-E401 IonicContact NE-OE2 2.79Å; R318-E401 PolarHBondContact NE-OE2 3.41Å; R318-E401 VanDerWaalsContact NH2-CD 3.25Å; R318-E401 IonicContact NH2-OE1 3.68Å; R318-E401 PolarHBondContact NH2-OE1 2.81Å; R318-E401 IonicContact NH2-OE2 2.95Å; R318-E401 PolarHBondContact NH2-OE2 3.28Å; R318-E401 VanDerWaalsContact NH2-OE2 3.15Å; E397-E401 PolarHBondContact O-N 2.97Å; S398-E401 PolarHBondContact O-N 3.09Å; Q399-E401 VanDerWaalsContact C-N 3.32Å; Q399-E401 PolarHBondContact O-N 2.86Å
402T93.6Very high96.9Very high32 Ų3218 Ų1820%0.1969%0.089CC..Hα-helixtrans-121.6-11-167.873.50000114.3K317 R318 S398 T404K317-T402 HydrophobicContact CB-CG2 4.38Å; R318-T402 HydrophobicContact CG-CG2 4.37Å; S398-T402 WeakPolarHBondContact O-CB 3.48Å; S398-T402 PolarHBondContact O-N 2.63Å; S398-T402 PolarHBondContact O-OG1 3.01Å; T402-T404 PolarHBondContact O-N 3.03Å; T402-T404 PolarHBondContact OG1-N 2.99Å; T402-T404 PolarHBondContact OG1-O 2.84Å; T402-T404 PolarHBondContact OG1-OG1 3.08Å
403G94.8Very high96.9Very high10 Ų1017.9 Ų17.910%0.1039%0.089CC..SBendtrans77.51.7-170.200000114.5Q399 L745Q399-G403 WeakPolarHBondContact O-CA 3.38Å; Q399-G403 PolarHBondContact O-N 3.3Å; G403-L745 WeakPolarHBondContact CA-O 3.24Å; G403-L745 PolarHBondContact O-N 3.22Å; G403-L745 VanDerWaalsContact O-N 3.1Å
404T96.2Very high97Very high0 Ų012.5 Ų12.50%07%0.068CC..  trans-140160.6-173.269.80000110.4K317 S398 Q399 T402 F406 Y744K317-T404 HydrophobicContact CD-CG2 4.4Å; K317-T404 VanDerWaalsContact CD-OG1 3.25Å; K317-T404 WeakPolarHBondContact CD-OG1 3.47Å; S398-T404 CarbonylContact C-O 3.53Å; S398-T404 PolarHBondContact OG-O 3.36Å; Q399-T404 VanDerWaalsContact CA-O 3.25Å; Q399-T404 WeakPolarHBondContact CA-O 3.42Å; Q399-T404 PolarHBondContact N-O 3.23Å; Q399-T404 VanDerWaalsContact N-O 3.12Å; T402-T404 PolarHBondContact O-N 3.03Å; T402-T404 PolarHBondContact OG1-N 2.99Å; T402-T404 PolarHBondContact OG1-O 2.84Å; T402-T404 PolarHBondContact OG1-OG1 3.08Å; T404-F406 HydrophobicContact CG2-CD1 4.05Å; T404-F406 HydrophobicContact CG2-CE1 3.62Å; T404-Y744 HydrophobicContact CG2-CD1 4.04Å; T404-Y744 HydrophobicContact CG2-CE1 3.9Å
405P97.9Very high97Very high1 Ų116.5 Ų16.51%0.0068%0.08CC..SBendcis-76.31581333.2-40.3000114.1L314 Y332 L334 I395 Q399 M742L314-P405 HydrophobicContact CD2-CG 3.59Å; Y332-P405 CarbonylContact O-C 3.4Å; Y332-P405 WeakPolarHBondContact O-CA 3.49Å; Y332-P405 WeakPolarHBondContact O-CB 3.27Å; L334-P405 HydrophobicContact CD1-CB 4.5Å; L334-P405 HydrophobicContact CD1-CG 3.74Å; L334-P405 HydrophobicContact CD2-CB 4.46Å; L334-P405 HydrophobicContact CD2-CG 4.32Å; L334-P405 HydrophobicContact CG-CB 3.88Å; L334-P405 HydrophobicContact CG-CG 3.66Å; I395-P405 HydrophobicContact CG2-CG 4.31Å; Q399-P405 PolarHBondContact NE2-O 3.07Å; Q399-P405 VanDerWaalsContact NE2-O 3.16Å; P405-M742 WeakPolarHBondContact O-CE 3.4Å
406F98.5Very high97Very high0 Ų017.4 Ų17.40%08%0.084CC..EExtended strand (participates in β ladder)trans-64.5153.4168-47.6-26.5000110.3A300 F331 Y332 A333 L334 T404 L430 T432 Y743 Y744A300-F406 HydrophobicContact CB-CE2 4.25Å; F331-F406 HydrophobicContact CB-CE2 4.11Å; F331-F406 HydrophobicContact CB-CZ 3.99Å; F331-F406 HydrophobicContact CD1-CZ 4.08Å; F331-F406 HydrophobicContact CG-CZ 4.34Å; Y332-F406 PolarHBondContact O-N 3.45Å; A333-F406 HydrophobicContact CB-CB 3.83Å; A333-F406 HydrophobicContact CB-CD2 3.82Å; A333-F406 HydrophobicContact CB-CG 4.17Å; L334-F406 PolarHBondContact N-O 2.94Å; T404-F406 HydrophobicContact CG2-CD1 4.05Å; T404-F406 HydrophobicContact CG2-CE1 3.62Å; F406-L430 WeakPolarHBondContact CE2-O 3.38Å; F406-T432 HydrophobicContact CB-CG2 3.79Å; F406-T432 HydrophobicContact CD2-CG2 3.45Å; F406-T432 VanDerWaalsContact CD2-CG2 3.45Å; F406-T432 HydrophobicContact CE2-CG2 4.27Å; F406-T432 HydrophobicContact CG-CG2 3.84Å; F406-Y743 HydrophobicContact CD1-CD2 4.04Å; F406-Y743 HydrophobicContact CD1-CE2 4.45Å; F406-Y743 WeakPolarHBondContact CD1-O 3.16Å; F406-Y743 HydrophobicContact CD2-CD2 4.13Å; F406-Y743 HydrophobicContact CD2-CE2 4.22Å; F406-Y743 AromaticContact CE1-CD2 3.89Å; F406-Y743 HydrophobicContact CE1-CD2 3.89Å; F406-Y743 AromaticContact CE1-CE2 3.89Å; F406-Y743 HydrophobicContact CE1-CE2 3.89Å; F406-Y743 HydrophobicContact CE2-CD2 4.02Å; F406-Y743 AromaticContact CE2-CE2 3.66Å; F406-Y743 HydrophobicContact CE2-CE2 3.66Å; F406-Y743 HydrophobicContact CG-CD2 4.15Å; F406-Y743 AromaticContact CZ-CD2 3.89Å; F406-Y743 HydrophobicContact CZ-CD2 3.89Å; F406-Y743 AromaticContact CZ-CE2 3.46Å; F406-Y743 HydrophobicContact CZ-CE2 3.46Å; F406-Y743 VanDerWaalsContact CZ-CE2 3.46Å; F406-Y744 AromaticContact CE1-CD1 3.9Å; F406-Y744 HydrophobicContact CE1-CD1 3.9Å; F406-Y744 AromaticContact CE1-CE1 3.6Å; F406-Y744 HydrophobicContact CE1-CE1 3.6Å; F406-Y744 HydrophobicContact CE1-CE2 4.35Å; F406-Y744 HydrophobicContact CE1-CG 4.37Å; F406-Y744 AromaticContact CE1-CZ 3.82Å; F406-Y744 HydrophobicContact CZ-CE1 4.05Å; F406-Y744 HydrophobicContact CZ-CE2 4.42Å; F406-Y744 AromaticContact CZ-CZ 3.86Å
407M98.5Very high97.1Very high0 Ų017.4 Ų17.40%08%0.084CC..EExtended strand (participates in β ladder)trans-117.2106.3-178.1-58.9-65.8-79.200109.9L334 I336 W392 I395 Q399 G741 M742L334-M407 HydrophobicContact CB-SD 4.49Å; L334-M407 HydrophobicContact CD1-SD 3.96Å; I336-M407 HydrophobicContact CD1-CB 4.43Å; I336-M407 HydrophobicContact CD1-CE 3.2Å; I336-M407 HydrophobicContact CD1-SD 3.66Å; W392-M407 HydrophobicContact CH2-CE 3.88Å; W392-M407 HydrophobicContact CZ3-CE 3.66Å; I395-M407 HydrophobicContact CG2-CE 4.35Å; I395-M407 HydrophobicContact CG2-SD 4.02Å; Q399-M407 VanDerWaalsContact NE2-CG 3.3Å; Q399-M407 PolarHBondContact NE2-SD 2.76Å; M407-G741 PolarHBondContact O-N 3.36Å; M407-M742 HydrophobicContact CB-CB 4.06Å; M407-M742 HydrophobicContact CG-CB 4.14Å; M407-M742 HydrophobicContact CG-CE 4.24Å; M407-M742 PolarHBondContact N-O 2.89Å; M407-M742 PolarHBondContact O-N 3.49Å
408V98.7Very high97.2Very high0 Ų014.9 Ų14.90%07%0.073CC..EExtended strand (participates in β ladder)trans-124.9127.5177.7-164.50000109.6Y302 L334 W335 I336 K410 T432 K739 T740Y302-V408 HydrophobicContact CE1-CB 4.45Å; Y302-V408 HydrophobicContact CE1-CG2 3.99Å; L334-V408 PolarHBondContact O-N 2.88Å; L334-V408 VanDerWaalsContact O-N 3.08Å; W335-V408 HydrophobicContact CE3-CB 3.84Å; W335-V408 HydrophobicContact CE3-CG1 3.78Å; W335-V408 HydrophobicContact CH2-CG1 4.28Å; W335-V408 HydrophobicContact CZ3-CB 3.93Å; W335-V408 HydrophobicContact CZ3-CG1 3.32Å; I336-V408 PolarHBondContact N-O 2.91Å; V408-K410 PolarHBondContact O-N 2.83Å; V408-T432 HydrophobicContact CG2-CG2 4Å; V408-K739 WeakPolarHBondContact CG1-O 2.96Å; V408-T740 HydrophobicContact CG2-CG2 4.49Å
409Y98.7Very high97.3Very high0 Ų014.9 Ų14.90%07%0.073CC..EExtended strand (participates in β ladder)trans-91.5107-172.9-58.3-66.6000110.1I336 M341 D411 A412 C413 H730 W734 L738 K739 G741I336-Y409 HydrophobicContact CB-CD1 4.19Å; I336-Y409 HydrophobicContact CD1-CE1 4.42Å; I336-Y409 HydrophobicContact CG2-CD1 4.34Å; I336-Y409 CarbonylContact O-C 3.52Å; I336-Y409 WeakPolarHBondContact O-CA 3.16Å; M341-Y409 HydrophobicContact CE-CE1 4.34Å; M341-Y409 HydrophobicContact CG-CE1 4.35Å; M341-Y409 HydrophobicContact SD-CE1 4.21Å; Y409-D411 VanDerWaalsContact C-N 3.31Å; Y409-D411 PolarHBondContact O-N 3.26Å; Y409-A412 PolarHBondContact O-N 2.9Å; Y409-C413 WeakPolarHBondContact O-CB 3.38Å; Y409-C413 PolarHBondContact O-N 3.3Å; Y409-C413 PolarHBondContact O-SG 2.97Å; Y409-H730 PolarHBondContact OH-O 3.33Å; Y409-H730 VanDerWaalsContact OH-O 3.05Å; Y409-W734 HydrophobicContact CD1-CB 4.44Å; Y409-W734 AromaticContact CD1-CD1 3.72Å; Y409-W734 HydrophobicContact CD1-CG 4.36Å; Y409-W734 HydrophobicContact CE1-CB 3.81Å; Y409-W734 AromaticContact CE1-CD1 3.9Å; Y409-W734 HydrophobicContact CE1-CG 4.09Å; Y409-W734 HydrophobicContact CE2-CB 4.07Å; Y409-L738 WeakPolarHBondContact CD2-O 3.49Å; Y409-K739 PolarHBondContact N-O 2.91Å; Y409-G741 VanDerWaalsContact CE2-CA 3.49Å
410K98.5Very high97.1Very high0 Ų018.1 Ų18.10%09%0.088CC..Hα-helixtrans-51.5-48.5-176.2168.5173.8178.6174.80112E304 W335 I336 L361 V364 W365 V408 C413 N414E304-K410 IonicContact OE1-NZ 3.88Å; E304-K410 PolarHBondContact OE1-NZ 2.72Å; E304-K410 IonicContact OE2-NZ 3.17Å; E304-K410 PolarHBondContact OE2-NZ 3.49Å; W335-K410 HydrophobicContact CD2-CB 4.12Å; W335-K410 HydrophobicContact CG-CB 4.09Å; W335-K410 HydrophobicContact CZ2-CB 4.29Å; W335-K410 HydrophobicContact CZ2-CG 4.42Å; W335-K410 VanDerWaalsContact NE1-CG 3.25Å; I336-K410 WeakPolarHBondContact O-CB 3.48Å; I336-K410 PolarHBondContact O-N 3.49Å; L361-K410 PolarHBondContact O-NZ 2.81Å; V364-K410 WeakPolarHBondContact O-CE 3.38Å; V364-K410 PolarHBondContact O-NZ 3.47Å; W365-K410 HydrophobicContact CB-CG 4.32Å; V408-K410 PolarHBondContact O-N 2.83Å; K410-C413 WeakPolarHBondContact O-CB 3.34Å; K410-C413 PolarHBondContact O-N 2.98Å; K410-N414 PolarHBondContact O-N 3.37Å; K410-N414 PolarHBondContact O-ND2 2.92Å
411D98.4Very high97.2Very high0 Ų018.4 Ų18.40%09%0.089CC..Hα-helixtrans-74.3-39.4-173.2-63.8-27.7000111.5D338 W365 G366 Y409 C413 N414 R415D338-D411 HydrophobicContact CB-CB 4.37Å; D338-D411 WeakPolarHBondContact CB-OD2 3.42Å; D338-D411 VanDerWaalsContact CG-OD2 3.24Å; D338-D411 PolarHBondContact N-OD2 3.43Å; D338-D411 WeakPolarHBondContact OD2-CB 3.42Å; W365-D411 WeakPolarHBondContact CB-OD1 3.43Å; G366-D411 PolarHBondContact N-OD1 3.27Å; Y409-D411 VanDerWaalsContact C-N 3.31Å; Y409-D411 PolarHBondContact O-N 3.26Å; D411-C413 VanDerWaalsContact C-N 3.29Å; D411-C413 PolarHBondContact O-N 3.27Å; D411-N414 PolarHBondContact O-N 3.14Å; D411-R415 WeakPolarHBondContact O-CB 3.23Å; D411-R415 PolarHBondContact O-N 3.38Å
412A98.4Very high97.2Very high4 Ų415.9 Ų15.93%0.0338%0.079CC..Hα-helixtrans-62.9-37.3172.900000112Y409 K416 L738 K739Y409-A412 PolarHBondContact O-N 2.9Å; A412-K416 WeakPolarHBondContact O-CB 3.46Å; A412-K416 WeakPolarHBondContact O-CG 3.44Å; A412-K416 PolarHBondContact O-N 3.22Å; A412-L738 WeakPolarHBondContact CB-O 3.25Å; A412-K739 HydrophobicContact CB-CG 4.31Å
413C98.6Very high97.2Very high0 Ų015.8 Ų15.80%08%0.084CC..Hα-helixtrans-64.3-51.5175.7-72.30000111.8W335 Y409 K410 D411 S417 V435W335-C413 HydrophobicContact CH2-CB 3.43Å; W335-C413 VanDerWaalsContact CH2-CB 3.43Å; W335-C413 VanDerWaalsContact CH2-SG 3.55Å; W335-C413 HydrophobicContact CZ2-CB 3.87Å; W335-C413 HydrophobicContact CZ3-CB 4.36Å; Y409-C413 WeakPolarHBondContact O-CB 3.38Å; Y409-C413 PolarHBondContact O-N 3.3Å; Y409-C413 PolarHBondContact O-SG 2.97Å; K410-C413 WeakPolarHBondContact O-CB 3.34Å; K410-C413 PolarHBondContact O-N 2.98Å; D411-C413 VanDerWaalsContact C-N 3.29Å; D411-C413 PolarHBondContact O-N 3.27Å; C413-S417 VanDerWaalsContact O-CB 3.26Å; C413-S417 WeakPolarHBondContact O-CB 3.44Å; C413-S417 PolarHBondContact O-N 2.84Å; C413-V435 HydrophobicContact CB-CG1 3.67Å
414N98.4Very high97.3Very high0 Ų016 Ų160%08%0.083CC..Hα-helixtrans-70.7-45.5-177.3-79.5-80.3000112.7W365 K410 D411 K416 S417 T424 I425W365-N414 HydrophobicContact CB-CB 4.14Å; W365-N414 HydrophobicContact CD2-CB 3.4Å; W365-N414 HydrophobicContact CE3-CB 3.91Å; W365-N414 HydrophobicContact CG-CB 3.48Å; W365-N414 VanDerWaalsContact CG-CB 3.48Å; W365-N414 HydrophobicContact CZ2-CB 4.28Å; K410-N414 PolarHBondContact O-N 3.37Å; K410-N414 PolarHBondContact O-ND2 2.92Å; D411-N414 PolarHBondContact O-N 3.14Å; N414-K416 PolarHBondContact O-N 3.27Å; N414-S417 PolarHBondContact O-N 3.38Å; N414-T424 WeakPolarHBondContact OD1-CA 3.36Å; N414-I425 PolarHBondContact ND2-O 2.98Å; N414-I425 PolarHBondContact OD1-N 2.97Å
415R98.2Very high97.3Very high94 Ų9416 Ų1636%0.3558%0.083SC..Hα-helixtrans-60.9-29.3-179.3-168178.1-66.4116.4-7113.5D338 W365 D411D338-R415 IonicContact OD2-CZ 3.54Å; D338-R415 IonicContact OD2-NH1 3.16Å; D338-R415 PolarHBondContact OD2-NH1 3.03Å; D338-R415 VanDerWaalsContact OD2-NH1 3.17Å; D338-R415 IonicContact OD2-NH2 3.39Å; D338-R415 PolarHBondContact OD2-NH2 3.22Å; W365-R415 HydrophobicContact CE3-CB 4.37Å; W365-R415 VanDerWaalsContact CH2-CA 3.46Å; W365-R415 HydrophobicContact CH2-CB 3.81Å; W365-R415 HydrophobicContact CH2-CG 4.13Å; W365-R415 HydrophobicContact CZ3-CB 3.49Å; W365-R415 VanDerWaalsContact CZ3-CB 3.49Å; W365-R415 HydrophobicContact CZ3-CG 3.96Å; D411-R415 WeakPolarHBondContact O-CB 3.23Å; D411-R415 PolarHBondContact O-N 3.38Å
416K98.3Very high97.3Very high19 Ų1916.7 Ų16.78%0.0839%0.086CC..THydrogen-bonded Turntrans-118.430.6-173.3-46.6179.6-165.6-179.20112.1A412 N414 Q573 M576 W577 G737 K739A412-K416 WeakPolarHBondContact O-CB 3.46Å; A412-K416 WeakPolarHBondContact O-CG 3.44Å; A412-K416 PolarHBondContact O-N 3.22Å; N414-K416 PolarHBondContact O-N 3.27Å; K416-Q573 PolarHBondContact O-NE2 3.21Å; K416-Q573 PolarHBondContact O-OE1 3.11Å; K416-Q573 VanDerWaalsContact O-OE1 3.1Å; K416-M576 VanDerWaalsContact C-SD 3.52Å; K416-M576 VanDerWaalsContact CA-SD 3.52Å; K416-M576 HydrophobicContact CB-CB 4.14Å; K416-M576 HydrophobicContact CB-SD 4.25Å; K416-M576 HydrophobicContact CG-CB 4.19Å; K416-W577 HydrophobicContact CD-CD2 3.98Å; K416-W577 HydrophobicContact CD-CG 4.18Å; K416-W577 HydrophobicContact CD-CZ2 3.97Å; K416-G737 PolarHBondContact NZ-O 3.33Å; K416-K739 VanDerWaalsContact O-CE 3.26Å; K416-K739 WeakPolarHBondContact O-CE 3.39Å; K416-K739 PolarHBondContact O-NZ 2.97Å
417S98.2Very high97.2Very high0 Ų016.8 Ų16.80%09%0.086CC..  trans-108.4135.3175.6179.50000110.5C413 N414 Q419 Q420 I425C413-S417 VanDerWaalsContact O-CB 3.26Å; C413-S417 WeakPolarHBondContact O-CB 3.44Å; C413-S417 PolarHBondContact O-N 2.84Å; N414-S417 PolarHBondContact O-N 3.38Å; S417-Q419 PolarHBondContact O-N 2.98Å; S417-Q419 PolarHBondContact OG-N 3.2Å; S417-Q420 WeakPolarHBondContact O-CB 3.43Å; S417-Q420 WeakPolarHBondContact O-CG 3.32Å; S417-Q420 PolarHBondContact O-N 2.79Å; S417-I425 WeakPolarHBondContact OG-CD1 2.9Å
418N98.2Very high97.1Very high10 Ų1016.8 Ų16.85%0.0539%0.086CC..THydrogen-bonded Turntrans-68-14.8170.5-166.244.1000112.7Q420 N421 Y559 S565 P566 I567 S602 L603N418-Q420 VanDerWaalsContact C-N 3.35Å; N418-N421 PolarHBondContact O-OD1 3.1Å; N418-Y559 PolarHBondContact ND2-OH 2.93Å; N418-S565 WeakPolarHBondContact O-CB 3.27Å; N418-P566 WeakPolarHBondContact O-CD 3.26Å; N418-P566 VanDerWaalsContact OD1-CD 3.31Å; N418-P566 WeakPolarHBondContact OD1-CD 3.44Å; N418-I567 VanDerWaalsContact ND2-CG2 3.29Å; N418-I567 WeakPolarHBondContact ND2-CG2 3.07Å; N418-I567 WeakPolarHBondContact OD1-CB 3.24Å; N418-I567 VanDerWaalsContact OD1-CG2 3.3Å; N418-I567 WeakPolarHBondContact OD1-CG2 3.39Å; N418-I567 PolarHBondContact OD1-N 2.99Å; N418-S602 WeakPolarHBondContact CB-O 3.35Å; N418-S602 PolarHBondContact ND2-O 3.43Å; N418-L603 HydrophobicContact CB-CD2 3.96Å
419Q96.8Very high97Very high4 Ų416.8 Ų16.82%0.0199%0.086CC..THydrogen-bonded Turntrans-91.510.5176.5-71.2-173.50.500113.5S417 N421 L422 S602 L603S417-Q419 PolarHBondContact O-N 2.98Å; S417-Q419 PolarHBondContact OG-N 3.2Å; Q419-N421 PolarHBondContact O-N 3.16Å; Q419-L422 HydrophobicContact CB-CD1 3.92Å; Q419-L422 HydrophobicContact CB-CG 4.38Å; Q419-L422 HydrophobicContact CG-CD1 4Å; Q419-L422 WeakPolarHBondContact O-CB 3.41Å; Q419-L422 WeakPolarHBondContact O-CG 3.41Å; Q419-L422 PolarHBondContact O-N 2.93Å; Q419-S602 PolarHBondContact NE2-OG 3.12Å; Q419-L603 HydrophobicContact CG-CD1 4.04Å; Q419-L603 HydrophobicContact CG-CG 4.22Å
420Q94.2Very high96.8Very high68 Ų6817.9 Ų17.932%0.3189%0.092SC..G310 helixtrans-60.2-19.8-178.967.4173.6-0.300114.3S417 N418 L422 P566S417-Q420 WeakPolarHBondContact O-CB 3.43Å; S417-Q420 WeakPolarHBondContact O-CG 3.32Å; S417-Q420 PolarHBondContact O-N 2.79Å; N418-Q420 VanDerWaalsContact C-N 3.35Å; Q420-L422 VanDerWaalsContact C-N 3.25Å; Q420-L422 PolarHBondContact O-N 2.91Å; Q420-P566 HydrophobicContact CG-CG 3.72Å; Q420-P566 VanDerWaalsContact NE2-CG 3.28Å
421N94.9Very high96.7Very high59 Ų5918.9 Ų18.932%0.31610%0.099SC..G310 helixtrans-73.4-13.8175.864.1-48.2000113.7N418 Q419 T561 E563N418-N421 PolarHBondContact O-OD1 3.1Å; Q419-N421 PolarHBondContact O-N 3.16Å; N421-T561 PolarHBondContact ND2-O 2.98Å; N421-T561 VanDerWaalsContact ND2-O 3.07Å; N421-E563 PolarHBondContact ND2-O 2.74Å
422L94Very high96.7Very high32 Ų3218.9 Ų18.917%0.16810%0.099CC..G310 helixtrans-84.9-20.6-179.3-55.5-178.1000112.8Q419 Q420 Y437 H504 T561Q419-L422 HydrophobicContact CB-CD1 3.92Å; Q419-L422 HydrophobicContact CB-CG 4.38Å; Q419-L422 HydrophobicContact CG-CD1 4Å; Q419-L422 WeakPolarHBondContact O-CB 3.41Å; Q419-L422 WeakPolarHBondContact O-CG 3.41Å; Q419-L422 PolarHBondContact O-N 2.93Å; Q420-L422 VanDerWaalsContact C-N 3.25Å; Q420-L422 PolarHBondContact O-N 2.91Å; L422-Y437 HydrophobicContact CB-CD1 3.71Å; L422-Y437 HydrophobicContact CB-CD2 3.98Å; L422-Y437 HydrophobicContact CB-CE1 4.12Å; L422-Y437 HydrophobicContact CB-CE2 4.37Å; L422-Y437 HydrophobicContact CB-CG 3.62Å; L422-Y437 HydrophobicContact CD1-CD1 4.1Å; L422-Y437 HydrophobicContact CD1-CG 4.16Å; L422-Y437 WeakPolarHBondContact O-CE2 3.27Å; L422-Y437 PolarHBondContact O-OH 3.26Å; L422-H504 WeakPolarHBondContact CD1-CE1 3.15Å; L422-H504 WeakPolarHBondContact CD1-ND1 3.15Å; L422-T561 HydrophobicContact CD2-CG2 3.85Å
423G93.7Very high96.7Very high30 Ų3018.8 Ų18.831%0.30910%0.098SC..  trans124.5-171.6-173.700000111.8I425G423-I425 PolarHBondContact O-N 3.4Å
424T96.1Very high96.7Very high15 Ų1518.8 Ų18.89%0.09210%0.098CC..  trans-73.5124.5-176.7-590000111.8E363 W365 N414E363-T424 VanDerWaalsContact C-OG1 3.27Å; E363-T424 VanDerWaalsContact O-CB 3.28Å; E363-T424 WeakPolarHBondContact O-CB 3.12Å; E363-T424 PolarHBondContact O-OG1 2.66Å; W365-T424 HydrophobicContact CB-CG2 4.39Å; N414-T424 WeakPolarHBondContact OD1-CA 3.36Å
425I96.9Very high96.6Very high0 Ų018.8 Ų18.80%010%0.098CC..  trans-74.6125.1169.1-57.2177000108W335 N414 S417 G423 C427 V435W335-I425 HydrophobicContact CH2-CG2 4.29Å; W335-I425 HydrophobicContact CZ2-CG2 4.24Å; W335-I425 VanDerWaalsContact CZ2-O 3.24Å; W335-I425 WeakPolarHBondContact CZ2-O 3.23Å; W335-I425 PolarHBondContact NE1-O 3.08Å; N414-I425 PolarHBondContact ND2-O 2.98Å; N414-I425 PolarHBondContact OD1-N 2.97Å; S417-I425 WeakPolarHBondContact OG-CD1 2.9Å; G423-I425 PolarHBondContact O-N 3.4Å; I425-C427 WeakPolarHBondContact CG2-O 3.45Å; I425-V435 HydrophobicContact CD1-CG1 3.87Å; I425-V435 HydrophobicContact CG2-CG1 3.95Å
426R96.1Very high96.6Very high15 Ų1514.4 Ų14.46%0.0578%0.081CC..  trans-101.2-16.8-171.7-66.7-177.7175.699.9-9.8114.4N253 H255 W335 D362 E363 C438 P440N253-R426 HydrophobicContact CB-CB 4.24Å; H255-R426 PolarHBondContact NE2-O 2.97Å; W335-R426 PolarHBondContact NE1-O 3.42Å; D362-R426 IonicContact OD2-CZ 2.75Å; D362-R426 IonicContact OD2-NE 3.87Å; D362-R426 PolarHBondContact OD2-NE 3.45Å; D362-R426 IonicContact OD2-NH2 3.4Å; E363-R426 IonicContact OE1-NH2 2.72Å; E363-R426 PolarHBondContact OE1-NH2 3.29Å; R426-C438 PolarHBondContact NH1-O 2.7Å; R426-P440 VanDerWaalsContact NH1-CD 3.26Å
427C96.9Very high96.4Very high2 Ų215.1 Ų15.11%0.0148%0.084CC..  trans-159175.8177.656.40000112.7N253 Y302 I425N253-C427 HydrophobicContact CB-CB 3.95Å; N253-C427 PolarHBondContact ND2-SG 3.02Å; N253-C427 VanDerWaalsContact ND2-SG 3.41Å; Y302-C427 HydrophobicContact CD1-CB 3.85Å; Y302-C427 HydrophobicContact CD2-CB 3.7Å; Y302-C427 HydrophobicContact CE1-CB 4.47Å; Y302-C427 HydrophobicContact CE2-CB 4.36Å; Y302-C427 HydrophobicContact CG-CB 3.43Å; Y302-C427 VanDerWaalsContact CG-CB 3.43Å; I425-C427 WeakPolarHBondContact CG2-O 3.45Å
428S97.7Very high96Very high0 Ų015.2 Ų15.20%09%0.085CC..  trans-108.1-172.7163.9-178.60000109.9L222 Y302 T432 I434L222-S428 VanDerWaalsContact CD2-C 3.42Å; Y302-S428 WeakPolarHBondContact CE2-O 3.41Å; Y302-S428 WeakPolarHBondContact OH-CB 3.41Å; S428-T432 VanDerWaalsContact OG-CA 3.26Å; S428-T432 WeakPolarHBondContact OG-CA 3.37Å; S428-I434 WeakPolarHBondContact CA-O 3.28Å; S428-I434 WeakPolarHBondContact CB-O 3.38Å; S428-I434 PolarHBondContact OG-O 3.49Å
429N96.5Very high95.3Very high0 Ų014.8 Ų14.80%08%0.082CC..  trans-92-175.6-179.770.3-46.9000112.6C220 L222 Y302 C431 T432 E433 I434C220-N429 HydrophobicContact CB-CB 4.05Å; C220-N429 PolarHBondContact SG-ND2 3.5Å; C220-N429 VanDerWaalsContact SG-ND2 3.36Å; L222-N429 HydrophobicContact CD1-CB 3.99Å; L222-N429 HydrophobicContact CD2-CB 4.42Å; L222-N429 HydrophobicContact CG-CB 4.02Å; Y302-N429 PolarHBondContact OH-O 3.48Å; N429-C431 PolarHBondContact ND2-N 3.05Å; N429-C431 PolarHBondContact O-N 3.16Å; N429-T432 PolarHBondContact O-N 2.86Å; N429-T432 PolarHBondContact OD1-N 2.93Å; N429-T432 VanDerWaalsContact OD1-N 3.12Å; N429-E433 VanDerWaalsContact CG-OE2 3.32Å; N429-E433 PolarHBondContact ND2-OE1 3.04Å; N429-E433 PolarHBondContact ND2-OE2 3.33Å; N429-E433 PolarHBondContact OD1-N 3.35Å; N429-E433 VanDerWaalsContact OD1-N 3.15Å; N429-E433 PolarHBondContact OD1-OE2 3.17Å; N429-I434 HydrophobicContact CB-CB 3.95Å; N429-I434 HydrophobicContact CB-CG1 4.36Å; N429-I434 PolarHBondContact OD1-N 3.16Å
430L95Very high94.3Very high23 Ų2316.4 Ų16.412%0.129%0.093CC..THydrogen-bonded Turntrans-48.4-34.4175.5179.962.9000114.9A298 A300 F331 F406A298-L430 HydrophobicContact CB-CD1 3.99Å; A298-L430 HydrophobicContact CB-CD2 3.6Å; A298-L430 HydrophobicContact CB-CG 4.47Å; A300-L430 HydrophobicContact CB-CD1 4.04Å; F331-L430 HydrophobicContact CD2-CD1 3.7Å; F331-L430 HydrophobicContact CE2-CD1 4.25Å; F331-L430 HydrophobicContact CG-CD1 4.26Å; F406-L430 WeakPolarHBondContact CE2-O 3.38Å
431C96.2Very high93.3Very high22 Ų2218.1 Ų18.115%0.14911%0.105CC..THydrogen-bonded Turntrans-109.86.3-171.9-65.70000113.9N429 E433 P609 S713 Y743N429-C431 PolarHBondContact ND2-N 3.05Å; N429-C431 PolarHBondContact O-N 3.16Å; C431-E433 VanDerWaalsContact C-N 3.27Å; C431-E433 WeakPolarHBondContact CA-OE2 3.32Å; C431-E433 WeakPolarHBondContact CB-OE2 3.46Å; C431-E433 PolarHBondContact O-N 3.37Å; C431-P609 HydrophobicContact CB-CG 3.82Å; C431-S713 VanDerWaalsContact O-CB 3.32Å; C431-S713 WeakPolarHBondContact O-CB 3.45Å; C431-S713 PolarHBondContact O-OG 3.47Å; C431-Y743 PolarHBondContact SG-OH 3.24Å; C431-Y743 VanDerWaalsContact SG-OH 3.41Å
432T97.7Very high91.6Very high0 Ų021.5 Ų21.50%012%0.118CC..SBendtrans64.713.9174.770.20000116.7Y302 F406 V408 S428 N429 T740 Y743Y302-T432 WeakPolarHBondContact OH-CG2 3.48Å; F406-T432 HydrophobicContact CB-CG2 3.79Å; F406-T432 HydrophobicContact CD2-CG2 3.45Å; F406-T432 VanDerWaalsContact CD2-CG2 3.45Å; F406-T432 HydrophobicContact CE2-CG2 4.27Å; F406-T432 HydrophobicContact CG-CG2 3.84Å; V408-T432 HydrophobicContact CG2-CG2 4Å; S428-T432 VanDerWaalsContact OG-CA 3.26Å; S428-T432 WeakPolarHBondContact OG-CA 3.37Å; N429-T432 PolarHBondContact O-N 2.86Å; N429-T432 PolarHBondContact OD1-N 2.93Å; N429-T432 VanDerWaalsContact OD1-N 3.12Å; T432-T740 PolarHBondContact O-OG1 3.44Å; T432-T740 VanDerWaalsContact OG1-CG2 3.31Å; T432-T740 WeakPolarHBondContact OG1-CG2 3.22Å; T432-Y743 HydrophobicContact CG2-CD2 3.77Å; T432-Y743 HydrophobicContact CG2-CE2 4.36Å; T432-Y743 WeakPolarHBondContact OG1-CB 2.86Å
433E98Very high90Very high1 Ų123.5 Ų23.51%0.00513%0.132CC..  trans-97.9-22.2177.680.4-68.8-176.200113.6N429 C431 A606 M608 Q710 S711N429-E433 VanDerWaalsContact CG-OE2 3.32Å; N429-E433 PolarHBondContact ND2-OE1 3.04Å; N429-E433 PolarHBondContact ND2-OE2 3.33Å; N429-E433 PolarHBondContact OD1-N 3.35Å; N429-E433 VanDerWaalsContact OD1-N 3.15Å; N429-E433 PolarHBondContact OD1-OE2 3.17Å; C431-E433 VanDerWaalsContact C-N 3.27Å; C431-E433 WeakPolarHBondContact CA-OE2 3.32Å; C431-E433 WeakPolarHBondContact CB-OE2 3.46Å; C431-E433 PolarHBondContact O-N 3.37Å; E433-A606 HydrophobicContact CG-CB 4.11Å; E433-M608 HydrophobicContact CG-CB 3.92Å; E433-Q710 WeakPolarHBondContact O-CB 3.5Å; E433-S711 CarbonylContact O-C 3.38Å; E433-S711 WeakPolarHBondContact O-CA 3.35Å; E433-S711 WeakPolarHBondContact O-CB 3.37Å; E433-S711 PolarHBondContact O-N 2.88Å
434I97.9Very high88.5Confident0 Ų024 Ų240%013%0.126CC..  trans-99.3131-175.1-56.6-53.2000111.2L222 S428 N429 E436 C449 L451 A606 Q710L222-I434 HydrophobicContact CD1-CB 4.27Å; L222-I434 HydrophobicContact CD1-CG2 3.54Å; L222-I434 HydrophobicContact CD2-CG2 4.26Å; S428-I434 WeakPolarHBondContact CA-O 3.28Å; S428-I434 WeakPolarHBondContact CB-O 3.38Å; S428-I434 PolarHBondContact OG-O 3.49Å; N429-I434 HydrophobicContact CB-CB 3.95Å; N429-I434 HydrophobicContact CB-CG1 4.36Å; N429-I434 PolarHBondContact OD1-N 3.16Å; I434-E436 HydrophobicContact CG2-CB 4.18Å; I434-E436 HydrophobicContact CG2-CG 3.67Å; I434-E436 WeakPolarHBondContact CG2-OE1 2.83Å; I434-C449 HydrophobicContact CD1-CB 4.07Å; I434-C449 WeakPolarHBondContact CD1-SG 3.41Å; I434-C449 HydrophobicContact CG1-CB 3.83Å; I434-C449 VanDerWaalsContact CG1-SG 3.59Å; I434-C449 HydrophobicContact CG2-CB 4.14Å; I434-L451 HydrophobicContact CD1-CD2 4.25Å; I434-A606 HydrophobicContact CD1-CB 3.43Å; I434-A606 VanDerWaalsContact CD1-CB 3.43Å; I434-Q710 VanDerWaalsContact CA-OE1 3.26Å; I434-Q710 VanDerWaalsContact CG2-OE1 3.26Å
435V97.9Very high87.5Confident0 Ų023.3 Ų23.30%012%0.121CC..  trans-133.881.5-177.1-176.40000107.8C413 I425 L603 Q710C413-V435 HydrophobicContact CB-CG1 3.67Å; I425-V435 HydrophobicContact CD1-CG1 3.87Å; I425-V435 HydrophobicContact CG2-CG1 3.95Å; V435-L603 WeakPolarHBondContact O-CD1 3Å; V435-Q710 VanDerWaalsContact N-OE1 3.08Å
436E97.1Very high87Confident2 Ų223.3 Ų23.31%0.00912%0.121CC..  trans-122.3144.4-173.4-72.8170.2-165.100110.7I434 A447 V448 P506 L603 Q710I434-E436 HydrophobicContact CG2-CB 4.18Å; I434-E436 HydrophobicContact CG2-CG 3.67Å; I434-E436 WeakPolarHBondContact CG2-OE1 2.83Å; E436-A447 HydrophobicContact CB-CB 3.62Å; E436-A447 WeakPolarHBondContact OE2-CB 3.35Å; E436-V448 PolarHBondContact OE2-N 3.09Å; E436-P506 HydrophobicContact CG-CB 4.21Å; E436-P506 HydrophobicContact CG-CG 4.34Å; E436-P506 WeakPolarHBondContact OE1-CB 3.38Å; E436-L603 HydrophobicContact CG-CD1 3.78Å; E436-Q710 PolarHBondContact OE1-NE2 2.93Å
437Y94.8Very high86.9Confident35 Ų3522.6 Ų22.614%0.13712%0.119CC..  trans-68.7133.9-178.9175.5-97.7000112.5L422 S439L422-Y437 HydrophobicContact CB-CD1 3.71Å; L422-Y437 HydrophobicContact CB-CD2 3.98Å; L422-Y437 HydrophobicContact CB-CE1 4.12Å; L422-Y437 HydrophobicContact CB-CE2 4.37Å; L422-Y437 HydrophobicContact CB-CG 3.62Å; L422-Y437 HydrophobicContact CD1-CD1 4.1Å; L422-Y437 HydrophobicContact CD1-CG 4.16Å; L422-Y437 WeakPolarHBondContact O-CE2 3.27Å; L422-Y437 PolarHBondContact O-OH 3.26Å; Y437-S439 VanDerWaalsContact OH-CB 3.26Å; Y437-S439 WeakPolarHBondContact OH-CB 3.03Å
438C89.7Confident86.7Confident2 Ų222.5 Ų22.51%0.01412%0.118CC..  trans-136.6138.1173.8-61.20000109.2L222 T224 R426 N445 A447L222-C438 VanDerWaalsContact CB-SG 3.51Å; L222-C438 PolarHBondContact O-SG 3.45Å; T224-C438 WeakPolarHBondContact OG1-CB 3.48Å; T224-C438 PolarHBondContact OG1-O 2.67Å; R426-C438 PolarHBondContact NH1-O 2.7Å; C438-N445 WeakPolarHBondContact CB-O 3.48Å; C438-A447 WeakPolarHBondContact SG-CB 3.16Å; C438-A447 PolarHBondContact SG-N 2.85Å; C438-A447 VanDerWaalsContact SG-N 3.41Å
439S84.2Confident86.2Confident1 Ų122.5 Ų22.51%0.00712%0.118CC..  trans-121.3151.5-177.988.40000112.1Y437 N441 F444 N445Y437-S439 VanDerWaalsContact OH-CB 3.26Å; Y437-S439 WeakPolarHBondContact OH-CB 3.03Å; S439-N441 PolarHBondContact O-N 3.28Å; S439-N441 WeakPolarHBondContact OG-CB 3.43Å; S439-N441 PolarHBondContact OG-N 3.48Å; S439-F444 PolarHBondContact N-O 3.47Å; S439-F444 WeakPolarHBondContact OG-CB 3.47Å; S439-N445 WeakPolarHBondContact O-CA 3.28Å
440P74.6Confident86.1Confident38 Ų3822.5 Ų22.525%0.24712%0.118CC..SBendtrans-62.7-22.9172.627.9-36.6000112.8T224 K226 R426 E442T224-P440 HydrophobicContact CG2-CB 4.26Å; K226-P440 VanDerWaalsContact O-CB 3.3Å; K226-P440 WeakPolarHBondContact O-CB 3.48Å; R426-P440 VanDerWaalsContact NH1-CD 3.26Å; P440-E442 PolarHBondContact O-N 3.16Å
441N73.3Confident86.2Confident104 Ų10421.7 Ų21.756%0.55611%0.114SC*.SBendtrans-55.1130.1176.2-68-30.1000109.9S439 V443 F444 N445S439-N441 PolarHBondContact O-N 3.28Å; S439-N441 WeakPolarHBondContact OG-CB 3.43Å; S439-N441 PolarHBondContact OG-N 3.48Å; N441-V443 PolarHBondContact O-N 3.46Å; N441-F444 HydrophobicContact CB-CD2 4.45Å; N441-F444 PolarHBondContact O-N 2.8Å; N441-N445 PolarHBondContact O-N 3.37Å
442E58.8Low86.3Confident129 Ų12920.7 Ų20.760%0.60311%0.107SC*.THydrogen-bonded Turntrans-55.7-16.3-176.4-65.7-169.5155.800113.7P440 Q496P440-E442 PolarHBondContact O-N 3.16Å; E442-Q496 WeakPolarHBondContact O-CG 3.28Å; E442-Q496 PolarHBondContact O-NE2 2.83Å
443V61.5Low86.3Confident75 Ų7520.9 Ų20.946%0.45511%0.108SC..THydrogen-bonded Turntrans-85.8-31.3180-173.70000112.7N441 T499N441-V443 PolarHBondContact O-N 3.46Å; V443-T499 HydrophobicContact CG1-CG2 3.7Å
444F62.5Low86.3Confident40 Ų4020.8 Ų20.818%0.17511%0.108CC..SBendtrans-12427.9-173.5-42.6-73.5000113S439 N441 T446 T499S439-F444 PolarHBondContact N-O 3.47Å; S439-F444 WeakPolarHBondContact OG-CB 3.47Å; N441-F444 HydrophobicContact CB-CD2 4.45Å; N441-F444 PolarHBondContact O-N 2.8Å; F444-T446 VanDerWaalsContact C-N 3.33Å; F444-T446 PolarHBondContact O-N 2.89Å; F444-T499 HydrophobicContact CD1-CG2 4.24Å; F444-T499 HydrophobicContact CE1-CG2 3.94Å
445N74.8Confident86.3Confident0 Ų020.9 Ų20.90%011%0.109CC..  trans-65.6-36.5-176.1-163-62.6000113.5T224 K226 C438 S439 N441 Q496T224-N445 PolarHBondContact N-OD1 3.05Å; T224-N445 PolarHBondContact O-ND2 3.01Å; T224-N445 PolarHBondContact O-OD1 3.16Å; T224-N445 VanDerWaalsContact O-OD1 3.05Å; K226-N445 WeakPolarHBondContact CG-ND2 3.33Å; C438-N445 WeakPolarHBondContact CB-O 3.48Å; S439-N445 WeakPolarHBondContact O-CA 3.28Å; N441-N445 PolarHBondContact O-N 3.37Å; N445-Q496 HydrophobicContact CB-CB 4.4Å; N445-Q496 HydrophobicContact CB-CG 4.31Å
446T86.7Confident86.4Confident0 Ų020.9 Ų20.90%011%0.109CC..EExtended strand (participates in β ladder)trans-117113.4-167.2-45.30000112.4F221 L222 L223 I243 F444 V494 A497 S500F221-T446 HydrophobicContact CB-CG2 4.02Å; F221-T446 HydrophobicContact CD1-CG2 3.71Å; F221-T446 HydrophobicContact CG-CG2 4.35Å; L222-T446 CarbonylContact O-C 3.41Å; L222-T446 VanDerWaalsContact O-CA 3.22Å; L222-T446 WeakPolarHBondContact O-CA 3.41Å; L223-T446 HydrophobicContact CD1-CG2 4.04Å; L223-T446 HydrophobicContact CG-CG2 4.06Å; I243-T446 HydrophobicContact CD1-CG2 4.02Å; F444-T446 VanDerWaalsContact C-N 3.33Å; F444-T446 PolarHBondContact O-N 2.89Å; T446-V494 HydrophobicContact CG2-CG2 4.5Å; T446-A497 HydrophobicContact CG2-CB 3.96Å; T446-S500 WeakPolarHBondContact O-CB 3.49Å; T446-S500 PolarHBondContact O-OG 3.43Å
447A92.7Very high86.3Confident1 Ų121.4 Ų21.41%0.00811%0.114CC..EExtended strand (participates in β ladder)trans-84.7158.616600000111.4F221 L222 E436 C438F221-A447 VanDerWaalsContact CA-O 3.29Å; F221-A447 WeakPolarHBondContact CA-O 3.4Å; L222-A447 HydrophobicContact CB-CB 4.23Å; L222-A447 HydrophobicContact CD1-CB 4.28Å; L222-A447 PolarHBondContact N-O 2.84Å; L222-A447 PolarHBondContact O-N 3.3Å; E436-A447 HydrophobicContact CB-CB 3.62Å; E436-A447 WeakPolarHBondContact OE2-CB 3.35Å; C438-A447 WeakPolarHBondContact SG-CB 3.16Å; C438-A447 PolarHBondContact SG-N 2.85Å; C438-A447 VanDerWaalsContact SG-N 3.41Å
448V92.8Very high86.4Confident0 Ų024 Ų240%013%0.126CC..EExtended strand (participates in β ladder)trans-142.1128.8-167.6-175.30000110S218 F221 E436 Y492 A497 N501S218-V448 VanDerWaalsContact OG-CG1 3.23Å; S218-V448 WeakPolarHBondContact OG-CG1 3.3Å; F221-V448 HydrophobicContact CD1-CG1 4.45Å; F221-V448 HydrophobicContact CD1-CG2 3.86Å; F221-V448 HydrophobicContact CE1-CG1 4.08Å; F221-V448 HydrophobicContact CE1-CG2 3.86Å; E436-V448 PolarHBondContact OE2-N 3.09Å; V448-Y492 HydrophobicContact CG1-CE1 4.34Å; V448-Y492 HydrophobicContact CG2-CD1 4.49Å; V448-Y492 HydrophobicContact CG2-CE1 4.28Å; V448-A497 HydrophobicContact CG2-CB 3.48Å; V448-A497 VanDerWaalsContact CG2-CB 3.48Å; V448-A497 WeakPolarHBondContact CG2-O 3.28Å; V448-N501 HydrophobicContact CB-CB 4.14Å; V448-N501 WeakPolarHBondContact CG1-ND2 3.47Å; V448-N501 HydrophobicContact CG2-CB 4.31Å
449C87.9Confident86.8Confident0 Ų024.1 Ų24.10%013%0.127CC..EExtended strand (participates in β ladder)trans-108.9126.8180-170.80000114S218 S219 C220 I434 L451S218-C449 WeakPolarHBondContact CB-O 3.45Å; S219-C449 PolarHBondContact N-O 2.89Å; C220-C449 HydrophobicContact CB-CB 4.14Å; C220-C449 PolarHBondContact O-N 3.34Å; I434-C449 HydrophobicContact CD1-CB 4.07Å; I434-C449 WeakPolarHBondContact CD1-SG 3.41Å; I434-C449 HydrophobicContact CG1-CB 3.83Å; I434-C449 VanDerWaalsContact CG1-SG 3.59Å; I434-C449 HydrophobicContact CG2-CB 4.14Å; C449-L451 WeakPolarHBondContact SG-CD2 3.22Å; C449-L451 VanDerWaalsContact SG-CG 3.55Å
450N94.5Very high87.4Confident0 Ų024.8 Ų24.80%013%0.131CC..  trans-104.2119.4174.8-47.6-68.3000109.7S218 L483 V486 I487 N501 P506 G508S218-N450 PolarHBondContact OG-OD1 3.34Å; N450-L483 HydrophobicContact CB-CD2 4.26Å; N450-V486 HydrophobicContact CB-CG1 4.16Å; N450-I487 VanDerWaalsContact ND2-CG1 3.28Å; N450-I487 WeakPolarHBondContact ND2-CG1 3.23Å; N450-N501 PolarHBondContact ND2-ND2 2.83Å; N450-N501 PolarHBondContact ND2-OD1 3.03Å; N450-P506 PolarHBondContact ND2-O 3.3Å; N450-P506 VanDerWaalsContact ND2-O 3.12Å; N450-G508 PolarHBondContact O-N 3.22Å
451L96.5Very high88.4Confident6 Ų625.5 Ų25.53%0.03113%0.133CC..EExtended strand (participates in β ladder)trans-120.8139.8-162-71.1-172.3000113.5A203 I434 C449 G508 M608A203-L451 HydrophobicContact CB-CB 3.61Å; A203-L451 WeakPolarHBondContact CB-O 3.32Å; A203-L451 PolarHBondContact N-O 3.3Å; I434-L451 HydrophobicContact CD1-CD2 4.25Å; C449-L451 WeakPolarHBondContact SG-CD2 3.22Å; C449-L451 VanDerWaalsContact SG-CG 3.55Å; L451-G508 WeakPolarHBondContact CA-O 3.15Å; L451-G508 WeakPolarHBondContact CD2-O 3.37Å; L451-M608 HydrophobicContact CB-CE 3.93Å; L451-M608 HydrophobicContact CD1-CB 4.19Å; L451-M608 HydrophobicContact CD1-CE 4.23Å; L451-M608 HydrophobicContact CD1-CG 4.23Å; L451-M608 HydrophobicContact CD2-CE 3.59Å; L451-M608 HydrophobicContact CG-CE 4.12Å
452A97.8Very high89.3Confident1 Ų124.4 Ų24.41%0.00813%0.129CC..EExtended strand (participates in β ladder)trans-146.9157.9166.300000110.5T201 I479 L483 G508 G510 M608T201-A452 WeakPolarHBondContact O-CA 3.39Å; A452-I479 HydrophobicContact CB-CG2 3.72Å; A452-L483 HydrophobicContact CB-CD1 4.04Å; A452-L483 HydrophobicContact CB-CD2 4.07Å; A452-L483 HydrophobicContact CB-CG 4.28Å; A452-G508 PolarHBondContact N-O 3.33Å; A452-G510 PolarHBondContact O-N 3.49Å; A452-M608 VanDerWaalsContact O-CE 3.32Å; A452-M608 WeakPolarHBondContact O-CE 3.32Å
453S98.4Very high90.8Very high3 Ų326.9 Ų26.92%0.02114%0.14CC..EExtended strand (participates in β ladder)trans-131.6135.1-178.757.90000112.3F200 T201 G510 Q512F200-S453 WeakPolarHBondContact CA-O 3.47Å; F200-S453 WeakPolarHBondContact CB-O 3.4Å; T201-S453 PolarHBondContact N-O 3.08Å; T201-S453 PolarHBondContact O-N 3.22Å; S453-G510 WeakPolarHBondContact CA-O 3.47Å; S453-Q512 PolarHBondContact OG-NE2 2.8Å
454I98.7Very high92.2Very high0 Ų029 Ų290%015%0.15CC..EExtended strand (participates in β ladder)trans-87.3135.6178.7-62.5167.4000110.2L456 F459 L472 T476 I479 I509 G510 V511 Q512 I541I454-L456 HydrophobicContact CG2-CD2 4.13Å; I454-L456 PolarHBondContact O-N 2.86Å; I454-F459 HydrophobicContact CG2-CD2 4.35Å; I454-F459 HydrophobicContact CG2-CE2 3.34Å; I454-F459 HydrophobicContact CG2-CZ 3.8Å; I454-L472 HydrophobicContact CD1-CD1 4.12Å; I454-L472 HydrophobicContact CG2-CD1 3.74Å; I454-T476 HydrophobicContact CD1-CG2 4.47Å; I454-T476 WeakPolarHBondContact CD1-OG1 3.43Å; I454-I479 HydrophobicContact CD1-CD1 3.99Å; I454-I479 HydrophobicContact CG1-CD1 3.39Å; I454-I509 HydrophobicContact CD1-CG2 3.83Å; I454-I509 HydrophobicContact CG1-CG2 4.31Å; I454-G510 PolarHBondContact N-O 3.27Å; I454-V511 CarbonylContact O-C 3.57Å; I454-V511 WeakPolarHBondContact O-CA 3.32Å; I454-Q512 WeakPolarHBondContact O-CG 3.37Å; I454-Q512 PolarHBondContact O-N 3.41Å; I454-I541 HydrophobicContact CD1-CD1 3.97Å; I454-I541 HydrophobicContact CD1-CG1 3.9Å; I454-I541 HydrophobicContact CD1-CG2 4.41Å
455S98.1Very high93.6Very high2 Ų233.6 Ų33.61%0.01417%0.166CC..EExtended strand (participates in β ladder)trans-86.590.1177.3-179.30000111.1K198 W199 G457 K458 F459 N619K198-S455 WeakPolarHBondContact O-CB 3.37Å; W199-S455 PolarHBondContact O-N 3.13Å; S455-G457 VanDerWaalsContact C-N 3.31Å; S455-G457 PolarHBondContact O-N 2.69Å; S455-K458 WeakPolarHBondContact O-CB 3.31Å; S455-K458 PolarHBondContact O-N 3.02Å; S455-K458 VanDerWaalsContact O-N 3.07Å; S455-F459 WeakPolarHBondContact O-CD2 3.46Å; S455-F459 WeakPolarHBondContact O-CE2 3.46Å; S455-N619 PolarHBondContact OG-ND2 3.31Å
456L98.4Very high94.6Very high0 Ų036.1 Ų36.10%018%0.184CC..G310 helixtrans-60.8-34.7-168.7-63.4179.4000114.1I454 K458 F459 Y467 V511 Q512 L514 A517 I537I454-L456 HydrophobicContact CG2-CD2 4.13Å; I454-L456 PolarHBondContact O-N 2.86Å; L456-K458 PolarHBondContact O-N 3.04Å; L456-K458 VanDerWaalsContact O-N 3.08Å; L456-F459 PolarHBondContact O-N 3.38Å; L456-Y467 WeakPolarHBondContact CD2-OH 3.37Å; L456-Y467 PolarHBondContact O-OH 3.33Å; L456-V511 HydrophobicContact CD1-CB 3.69Å; L456-V511 HydrophobicContact CD1-CG1 4.05Å; L456-V511 HydrophobicContact CD1-CG2 3.97Å; L456-V511 HydrophobicContact CD2-CB 4.2Å; L456-V511 HydrophobicContact CD2-CG1 3.9Å; L456-V511 HydrophobicContact CG-CB 3.89Å; L456-V511 HydrophobicContact CG-CG1 4.16Å; L456-Q512 PolarHBondContact N-O 3.03Å; L456-L514 HydrophobicContact CD1-CB 4Å; L456-L514 HydrophobicContact CD1-CD1 3.62Å; L456-L514 HydrophobicContact CD1-CG 4.44Å; L456-A517 HydrophobicContact CB-CB 4.01Å; L456-I537 HydrophobicContact CD1-CD1 4.37Å; L456-I537 HydrophobicContact CD1-CG2 4.17Å; L456-I537 HydrophobicContact CD2-CG2 3.62Å
457G96.2Very high95.2Very high12 Ų1237 Ų3712%0.12419%0.187CC..G310 helixtrans-61-19177.900000114.5S455 F459S455-G457 VanDerWaalsContact C-N 3.31Å; S455-G457 PolarHBondContact O-N 2.69Å; G457-F459 VanDerWaalsContact C-N 3.34Å
458K96.3Very high95.4Very high90 Ų9040.7 Ų40.739%0.39121%0.207SC..G310 helixtrans-75.8-19.5-179.8-74.7-70.5-60.2-174.70114.2E197 W199 S455 L456 V460E197-K458 WeakPolarHBondContact O-CE 3.31Å; E197-K458 PolarHBondContact O-NZ 3.15Å; W199-K458 HydrophobicContact CE3-CB 3.81Å; W199-K458 HydrophobicContact CZ3-CB 3.96Å; W199-K458 VanDerWaalsContact CZ3-O 3.29Å; W199-K458 WeakPolarHBondContact CZ3-O 3.36Å; S455-K458 WeakPolarHBondContact O-CB 3.31Å; S455-K458 PolarHBondContact O-N 3.02Å; S455-K458 VanDerWaalsContact O-N 3.07Å; L456-K458 PolarHBondContact O-N 3.04Å; L456-K458 VanDerWaalsContact O-N 3.08Å; K458-V460 VanDerWaalsContact C-N 3.33Å
459F98Very high95.7Very high4 Ų442.3 Ų42.32%0.01821%0.214CC..G310 helixtrans-91.90.5-179.3-56.1-87.1000112.3W199 I454 S455 L456 G457 Y467 D468 K471 L472 V475W199-F459 HydrophobicContact CE3-CD1 4.11Å; W199-F459 AromaticContact CE3-CE1 3.66Å; W199-F459 HydrophobicContact CE3-CE1 3.66Å; W199-F459 HydrophobicContact CE3-CE2 4.35Å; W199-F459 AromaticContact CE3-CZ 3.8Å; W199-F459 HydrophobicContact CE3-CZ 3.8Å; W199-F459 AromaticContact CZ3-CD1 3.91Å; W199-F459 HydrophobicContact CZ3-CD1 3.91Å; W199-F459 AromaticContact CZ3-CE1 3.91Å; W199-F459 HydrophobicContact CZ3-CE1 3.91Å; W199-F459 HydrophobicContact CZ3-CG 4.43Å; W199-F459 HydrophobicContact CZ3-CZ 4.43Å; I454-F459 HydrophobicContact CG2-CD2 4.35Å; I454-F459 HydrophobicContact CG2-CE2 3.34Å; I454-F459 HydrophobicContact CG2-CZ 3.8Å; S455-F459 WeakPolarHBondContact O-CD2 3.46Å; S455-F459 WeakPolarHBondContact O-CE2 3.46Å; L456-F459 PolarHBondContact O-N 3.38Å; G457-F459 VanDerWaalsContact C-N 3.34Å; F459-Y467 HydrophobicContact CB-CD1 4.3Å; F459-Y467 HydrophobicContact CB-CE1 3.69Å; F459-Y467 HydrophobicContact CB-CE2 4.12Å; F459-Y467 HydrophobicContact CG-CE1 4.45Å; F459-D468 PolarHBondContact O-N 3.45Å; F459-K471 HydrophobicContact CD1-CB 4.08Å; F459-K471 HydrophobicContact CD1-CG 4.03Å; F459-K471 HydrophobicContact CE1-CB 4.33Å; F459-K471 HydrophobicContact CE1-CG 3.95Å; F459-L472 HydrophobicContact CD1-CB 3.85Å; F459-L472 HydrophobicContact CD2-CD1 4.29Å; F459-L472 HydrophobicContact CE1-CB 4.04Å; F459-L472 HydrophobicContact CE1-CD1 4.32Å; F459-L472 HydrophobicContact CE2-CD1 4.03Å; F459-L472 HydrophobicContact CG-CB 4.24Å; F459-L472 HydrophobicContact CZ-CD1 4.02Å; F459-V475 HydrophobicContact CE1-CB 4.22Å; F459-V475 HydrophobicContact CE1-CG2 3.99Å; F459-V475 HydrophobicContact CZ-CB 4.11Å; F459-V475 HydrophobicContact CZ-CG1 4.21Å; F459-V475 HydrophobicContact CZ-CG2 4.17Å
460V97.7Very high96.2Very high15 Ų1549.3 Ų49.39%0.09124%0.244CC..EExtended strand (participates in β ladder)trans-85.7119.4175.2178.40000109.4K458 V462 Y467 A517 L520 M521K458-V460 VanDerWaalsContact C-N 3.33Å; V460-V462 HydrophobicContact CG1-CG2 4.28Å; V460-V462 PolarHBondContact O-N 3.34Å; V460-Y467 HydrophobicContact CG2-CD2 3.74Å; V460-Y467 HydrophobicContact CG2-CE2 3.91Å; V460-A517 HydrophobicContact CG2-CB 4.2Å; V460-L520 HydrophobicContact CB-CB 4.2Å; V460-L520 HydrophobicContact CB-CD1 4.42Å; V460-L520 HydrophobicContact CG1-CB 3.76Å; V460-L520 HydrophobicContact CG2-CB 4.31Å; V460-M521 HydrophobicContact CB-SD 4.43Å; V460-M521 HydrophobicContact CG1-CG 3.97Å; V460-M521 HydrophobicContact CG1-SD 3.57Å; V460-M521 VanDerWaalsContact CG1-SD 3.57Å; V460-M521 HydrophobicContact CG2-CG 3.93Å; V460-M521 HydrophobicContact CG2-SD 4.21Å
461D95.8Very high96.3Very high54 Ų5452.4 Ų52.429%0.28926%0.257SS..EExtended strand (participates in β ladder)trans-80.8103.6161.4-178.1-17000108.4H463 N464 R465 S466D461-H463 VanDerWaalsContact C-N 3.26Å; D461-H463 PolarHBondContact O-N 3.37Å; D461-H463 WeakPolarHBondContact OD1-CB 3.3Å; D461-H463 IonicContact OD1-CD2 2.75Å; D461-H463 PolarHBondContact OD1-N 3.46Å; D461-N464 HydrophobicContact CB-CB 4.47Å; D461-N464 PolarHBondContact OD1-N 2.84Å; D461-N464 VanDerWaalsContact OD1-N 3.14Å; D461-N464 PolarHBondContact OD2-ND2 3.48Å; D461-R465 VanDerWaalsContact O-CA 3.23Å; D461-R465 WeakPolarHBondContact O-CA 3.46Å; D461-R465 PolarHBondContact O-N 3.4Å; D461-S466 PolarHBondContact N-O 3.12Å; D461-S466 PolarHBondContact O-N 2.89Å
462V91.3Very high96.4Very high81 Ų8152.1 Ų52.149%0.49126%0.256SS..THydrogen-bonded Turntrans-66.1-28.9-177.3-176.50000112V460 L520V460-V462 HydrophobicContact CG1-CG2 4.28Å; V460-V462 PolarHBondContact O-N 3.34Å; V462-L520 HydrophobicContact CG2-CD2 4.09Å
463H90Very high96.5Very high180 Ų18052.4 Ų52.483%0.83326%0.257SS*.THydrogen-bonded Turntrans-74.3-47.7-178.7-60.8-68.7000111D461D461-H463 VanDerWaalsContact C-N 3.26Å; D461-H463 PolarHBondContact O-N 3.37Å; D461-H463 WeakPolarHBondContact OD1-CB 3.3Å; D461-H463 IonicContact OD1-CD2 2.75Å; D461-H463 PolarHBondContact OD1-N 3.46Å
464N91.4Very high96.5Very high121 Ų12155.7 Ų55.765%0.64728%0.275SS*.THydrogen-bonded Turntrans-88.4-7.6-178.9-66.5-38.6000113.4D461 S466D461-N464 HydrophobicContact CB-CB 4.47Å; D461-N464 PolarHBondContact OD1-N 2.84Å; D461-N464 VanDerWaalsContact OD1-N 3.14Å; D461-N464 PolarHBondContact OD2-ND2 3.48Å; N464-S466 PolarHBondContact O-N 3Å
465R91.9Very high96.5Very high135 Ų13555.8 Ų55.851%0.50928%0.275SS..THydrogen-bonded Turntrans48.447.6-171.5-60.3-172.4-179.3171.65.1111.7D461 M521D461-R465 VanDerWaalsContact O-CA 3.23Å; D461-R465 WeakPolarHBondContact O-CA 3.46Å; D461-R465 PolarHBondContact O-N 3.4Å; R465-M521 WeakPolarHBondContact O-CE 3.33Å
466S96.1Very high96.5Very high54 Ų5455.7 Ų55.738%0.37827%0.274SS..EExtended strand (participates in β ladder)trans-121.7156.8179.172.90000110.1D461 N464D461-S466 PolarHBondContact N-O 3.12Å; D461-S466 PolarHBondContact O-N 2.89Å; N464-S466 PolarHBondContact O-N 3Å
467Y98Very high96.5Very high18 Ų1857 Ų577%0.07128%0.28CS..EExtended strand (participates in β ladder)trans-113.1122.6179.9-162.9-78.7000109.5L456 F459 V460 F469 L472 A517 L533 I537L456-Y467 WeakPolarHBondContact CD2-OH 3.37Å; L456-Y467 PolarHBondContact O-OH 3.33Å; F459-Y467 HydrophobicContact CB-CD1 4.3Å; F459-Y467 HydrophobicContact CB-CE1 3.69Å; F459-Y467 HydrophobicContact CB-CE2 4.12Å; F459-Y467 HydrophobicContact CG-CE1 4.45Å; V460-Y467 HydrophobicContact CG2-CD2 3.74Å; V460-Y467 HydrophobicContact CG2-CE2 3.91Å; Y467-F469 AromaticContact CD1-CD1 3.75Å; Y467-F469 HydrophobicContact CD1-CD1 3.75Å; Y467-F469 HydrophobicContact CD1-CD2 4.37Å; Y467-F469 AromaticContact CD1-CE1 3.62Å; Y467-F469 HydrophobicContact CD1-CE1 3.62Å; Y467-F469 HydrophobicContact CD1-CE2 4.28Å; Y467-F469 HydrophobicContact CD1-CG 4.13Å; Y467-F469 AromaticContact CD1-CZ 3.91Å; Y467-F469 HydrophobicContact CD1-CZ 3.91Å; Y467-F469 HydrophobicContact CE1-CD1 4.15Å; Y467-F469 HydrophobicContact CE1-CE1 4.13Å; Y467-F469 HydrophobicContact CG-CE1 4.35Å; Y467-F469 HydrophobicContact CG-CZ 4.25Å; Y467-F469 VanDerWaalsContact O-CD2 3.3Å; Y467-F469 WeakPolarHBondContact O-CD2 3.1Å; Y467-F469 PolarHBondContact O-N 2.93Å; Y467-L472 HydrophobicContact CE1-CB 4.46Å; Y467-L472 HydrophobicContact CE1-CD2 3.91Å; Y467-A517 HydrophobicContact CE2-CB 4.33Å; Y467-L533 HydrophobicContact CD1-CD1 4.35Å; Y467-L533 HydrophobicContact CD2-CD1 3.86Å; Y467-L533 HydrophobicContact CD2-CD2 4.27Å; Y467-L533 HydrophobicContact CE2-CD1 4.43Å; Y467-L533 HydrophobicContact CG-CD1 3.81Å; Y467-I537 HydrophobicContact CE1-CD1 4.41Å; Y467-I537 HydrophobicContact CE1-CG1 3.94Å; Y467-I537 HydrophobicContact CE2-CD1 3.86Å; Y467-I537 HydrophobicContact CE2-CG1 4.29Å
468D98Very high96.6Very high79 Ų7956.9 Ų56.942%0.42228%0.277SS..  trans-82.483.5-177.3-169.6-13.5000111.4F459 K470 K471 L472F459-D468 PolarHBondContact O-N 3.45Å; D468-K470 VanDerWaalsContact C-N 3.26Å; D468-K470 PolarHBondContact O-N 3.42Å; D468-K470 PolarHBondContact OD1-N 3.26Å; D468-K471 HydrophobicContact CB-CB 4.12Å; D468-K471 PolarHBondContact O-N 3.16Å; D468-K471 PolarHBondContact OD1-N 3.3Å; D468-K471 VanDerWaalsContact OD2-CB 3.24Å; D468-K471 WeakPolarHBondContact OD2-CB 3.32Å; D468-L472 PolarHBondContact O-N 3.24Å; D468-L472 VanDerWaalsContact O-N 3.08Å
469F98.2Very high96.7Very high34 Ų3452.6 Ų52.615%0.14926%0.258CS..Hα-helixtrans-64.8-29176.9-64.6-73.3000113Y467 L472 H473 L533 Q536 I537 T540 L584 W585Y467-F469 AromaticContact CD1-CD1 3.75Å; Y467-F469 HydrophobicContact CD1-CD1 3.75Å; Y467-F469 HydrophobicContact CD1-CD2 4.37Å; Y467-F469 AromaticContact CD1-CE1 3.62Å; Y467-F469 HydrophobicContact CD1-CE1 3.62Å; Y467-F469 HydrophobicContact CD1-CE2 4.28Å; Y467-F469 HydrophobicContact CD1-CG 4.13Å; Y467-F469 AromaticContact CD1-CZ 3.91Å; Y467-F469 HydrophobicContact CD1-CZ 3.91Å; Y467-F469 HydrophobicContact CE1-CD1 4.15Å; Y467-F469 HydrophobicContact CE1-CE1 4.13Å; Y467-F469 HydrophobicContact CG-CE1 4.35Å; Y467-F469 HydrophobicContact CG-CZ 4.25Å; Y467-F469 VanDerWaalsContact O-CD2 3.3Å; Y467-F469 WeakPolarHBondContact O-CD2 3.1Å; Y467-F469 PolarHBondContact O-N 2.93Å; F469-L472 PolarHBondContact O-N 3.33Å; F469-H473 WeakPolarHBondContact O-CB 3.47Å; F469-H473 PolarHBondContact O-N 3.08Å; F469-L533 HydrophobicContact CE1-CD1 4.09Å; F469-L533 HydrophobicContact CZ-CD1 3.69Å; F469-Q536 HydrophobicContact CD1-CB 4.44Å; F469-Q536 HydrophobicContact CE1-CB 3.52Å; F469-Q536 HydrophobicContact CZ-CB 3.63Å; F469-Q536 HydrophobicContact CZ-CG 4.46Å; F469-I537 HydrophobicContact CE1-CG1 4.28Å; F469-T540 HydrophobicContact CB-CG2 4.5Å; F469-T540 WeakPolarHBondContact CD1-OG1 3.41Å; F469-T540 WeakPolarHBondContact O-CG2 3.38Å; F469-L584 HydrophobicContact CB-CD2 4.42Å; F469-L584 HydrophobicContact CD1-CD2 4.04Å; F469-L584 HydrophobicContact CD2-CD1 4.49Å; F469-L584 HydrophobicContact CD2-CD2 4.39Å; F469-L584 HydrophobicContact CE1-CD2 4.41Å; F469-L584 HydrophobicContact CG-CD2 4.03Å; F469-W585 HydrophobicContact CB-CZ2 4.42Å
470K97.9Very high96.8Very high146 Ų14652.4 Ų52.464%0.63526%0.258SS*.Hα-helixtrans-68.4-47.2178.2-176.1-179177.3-174.10110.3D468 L472 H473 D474D468-K470 VanDerWaalsContact C-N 3.26Å; D468-K470 PolarHBondContact O-N 3.42Å; D468-K470 PolarHBondContact OD1-N 3.26Å; K470-L472 VanDerWaalsContact C-N 3.31Å; K470-L472 PolarHBondContact O-N 3.39Å; K470-H473 WeakPolarHBondContact O-CB 3.41Å; K470-H473 PolarHBondContact O-N 3.42Å; K470-D474 PolarHBondContact O-N 2.98Å
471K98.2Very high96.8Very high65 Ų6555.4 Ų55.428%0.28327%0.267SS..Hα-helixtrans-64.5-36.7176-172.761.4175.4179.90111.9W199 F459 D468 H473 D474 V475W199-K471 HydrophobicContact CE3-CG 4.4Å; W199-K471 HydrophobicContact CH2-CG 4.14Å; W199-K471 HydrophobicContact CZ3-CG 3.91Å; F459-K471 HydrophobicContact CD1-CB 4.08Å; F459-K471 HydrophobicContact CD1-CG 4.03Å; F459-K471 HydrophobicContact CE1-CB 4.33Å; F459-K471 HydrophobicContact CE1-CG 3.95Å; D468-K471 HydrophobicContact CB-CB 4.12Å; D468-K471 PolarHBondContact O-N 3.16Å; D468-K471 PolarHBondContact OD1-N 3.3Å; D468-K471 VanDerWaalsContact OD2-CB 3.24Å; D468-K471 WeakPolarHBondContact OD2-CB 3.32Å; K471-H473 VanDerWaalsContact C-N 3.33Å; K471-D474 PolarHBondContact O-N 2.92Å; K471-V475 HydrophobicContact CD-CG2 4.35Å; K471-V475 HydrophobicContact CG-CG2 4.46Å; K471-V475 WeakPolarHBondContact O-CB 3.24Å; K471-V475 VanDerWaalsContact O-CG2 3.31Å; K471-V475 WeakPolarHBondContact O-CG2 3.46Å; K471-V475 PolarHBondContact O-N 3.23Å
472L98.7Very high96.9Very high0 Ų052.9 Ų52.90%025%0.254CS..Hα-helixtrans-59.2-45.6172.7175.262.1000111.3I454 F459 Y467 D468 F469 K470 T476 I537 T540 I541I454-L472 HydrophobicContact CD1-CD1 4.12Å; I454-L472 HydrophobicContact CG2-CD1 3.74Å; F459-L472 HydrophobicContact CD1-CB 3.85Å; F459-L472 HydrophobicContact CD2-CD1 4.29Å; F459-L472 HydrophobicContact CE1-CB 4.04Å; F459-L472 HydrophobicContact CE1-CD1 4.32Å; F459-L472 HydrophobicContact CE2-CD1 4.03Å; F459-L472 HydrophobicContact CG-CB 4.24Å; F459-L472 HydrophobicContact CZ-CD1 4.02Å; Y467-L472 HydrophobicContact CE1-CB 4.46Å; Y467-L472 HydrophobicContact CE1-CD2 3.91Å; D468-L472 PolarHBondContact O-N 3.24Å; D468-L472 VanDerWaalsContact O-N 3.08Å; F469-L472 PolarHBondContact O-N 3.33Å; K470-L472 VanDerWaalsContact C-N 3.31Å; K470-L472 PolarHBondContact O-N 3.39Å; L472-T476 WeakPolarHBondContact O-CB 3.17Å; L472-T476 PolarHBondContact O-N 2.8Å; L472-T476 PolarHBondContact O-OG1 3.07Å; L472-I537 HydrophobicContact CD2-CB 4.48Å; L472-I537 HydrophobicContact CD2-CG1 4.5Å; L472-I537 HydrophobicContact CD2-CG2 4.18Å; L472-T540 HydrophobicContact CB-CG2 4.22Å; L472-T540 HydrophobicContact CD2-CG2 3.88Å; L472-T540 HydrophobicContact CG-CG2 3.94Å; L472-I541 HydrophobicContact CD1-CD1 4.42Å; L472-I541 HydrophobicContact CD1-CG1 4.04Å; L472-I541 HydrophobicContact CD2-CG1 4.18Å; L472-I541 HydrophobicContact CG-CG1 4.25Å
473H98.6Very high97.2Very high8 Ų849 Ų494%0.03723%0.23CC..Hα-helixtrans-58.9-55.3175.8-173.9-63.6000110.5F469 K470 K471 V475 T476 K477 T540 H543 A544 E547 W585F469-H473 WeakPolarHBondContact O-CB 3.47Å; F469-H473 PolarHBondContact O-N 3.08Å; K470-H473 WeakPolarHBondContact O-CB 3.41Å; K470-H473 PolarHBondContact O-N 3.42Å; K471-H473 VanDerWaalsContact C-N 3.33Å; H473-V475 PolarHBondContact O-N 3.46Å; H473-T476 WeakPolarHBondContact O-CA 3.48Å; H473-T476 WeakPolarHBondContact O-CB 3.45Å; H473-T476 PolarHBondContact O-N 3.05Å; H473-K477 WeakPolarHBondContact O-CG 3.5Å; H473-K477 PolarHBondContact O-N 2.97Å; H473-T540 HydrophobicContact CB-CG2 3.89Å; H473-H543 AromaticContact CD2-ND1 3.75Å; H473-H543 AromaticContact NE2-CE1 3.91Å; H473-H543 AromaticContact NE2-ND1 3.3Å; H473-H543 PolarHBondContact NE2-ND1 3.46Å; H473-A544 HydrophobicContact CB-CB 4.15Å; H473-E547 IonicContact CE1-OE1 3.64Å; H473-E547 IonicContact CE1-OE2 3.28Å; H473-E547 PolarHBondContact CE1-OE2 2.88Å; H473-E547 IonicContact NE2-OE2 3.74Å; H473-E547 PolarHBondContact NE2-OE2 3.41Å; H473-W585 HydrophobicContact CB-CH2 3.71Å; H473-W585 HydrophobicContact CB-CZ2 3.79Å; H473-W585 AromaticContact CD2-CE2 3.95Å; H473-W585 AromaticContact CD2-CE3 3.9Å; H473-W585 AromaticContact CD2-CH2 3.38Å; H473-W585 WeakPolarHBondContact CD2-CH2 3.34Å; H473-W585 AromaticContact CD2-CZ2 3.62Å; H473-W585 AromaticContact CD2-CZ3 3.53Å; H473-W585 AromaticContact CG-CH2 3.72Å
474D98.5Very high97.6Very high72 Ų7240.8 Ų40.839%0.38519%0.192SC..Hα-helixtrans-55-46.7-179.4-68-25.9000112.9K470 K471 T476 K477 V478K470-D474 PolarHBondContact O-N 2.98Å; K471-D474 PolarHBondContact O-N 2.92Å; D474-T476 VanDerWaalsContact C-N 3.33Å; D474-T476 PolarHBondContact O-N 3.28Å; D474-K477 WeakPolarHBondContact O-CB 3.38Å; D474-K477 PolarHBondContact O-N 2.71Å; D474-V478 PolarHBondContact O-N 2.85Å
475V98.6Very high97.9Very high2 Ų237.6 Ų37.61%0.01217%0.173CC..Hα-helixtrans-64.5-39.51781710000111.1L194 W199 F200 F459 K471 H473 K477 V478 I479L194-V475 HydrophobicContact CD2-CG2 4.17Å; W199-V475 HydrophobicContact CB-CG1 4.21Å; W199-V475 HydrophobicContact CB-CG2 4.25Å; W199-V475 HydrophobicContact CG-CG2 4.48Å; F200-V475 HydrophobicContact CB-CG1 4.41Å; F200-V475 HydrophobicContact CD1-CG1 3.84Å; F459-V475 HydrophobicContact CE1-CB 4.22Å; F459-V475 HydrophobicContact CE1-CG2 3.99Å; F459-V475 HydrophobicContact CZ-CB 4.11Å; F459-V475 HydrophobicContact CZ-CG1 4.21Å; F459-V475 HydrophobicContact CZ-CG2 4.17Å; K471-V475 HydrophobicContact CD-CG2 4.35Å; K471-V475 HydrophobicContact CG-CG2 4.46Å; K471-V475 WeakPolarHBondContact O-CB 3.24Å; K471-V475 VanDerWaalsContact O-CG2 3.31Å; K471-V475 WeakPolarHBondContact O-CG2 3.46Å; K471-V475 PolarHBondContact O-N 3.23Å; H473-V475 PolarHBondContact O-N 3.46Å; V475-K477 VanDerWaalsContact C-N 3.3Å; V475-K477 PolarHBondContact O-N 3.07Å; V475-V478 PolarHBondContact O-N 3.05Å; V475-I479 HydrophobicContact CG1-CD1 4.07Å; V475-I479 WeakPolarHBondContact O-CG1 3.34Å; V475-I479 PolarHBondContact O-N 3.01Å; V475-I479 VanDerWaalsContact O-N 3.11Å
476T98.7Very high98.1Very high0 Ų031.2 Ų31.20%015%0.149CC..Hα-helixtrans-62.4-39.1176.8-56.50000111.1I454 L472 H473 D474 V478 I479 V480 I509 I541 A544 A545I454-T476 HydrophobicContact CD1-CG2 4.47Å; I454-T476 WeakPolarHBondContact CD1-OG1 3.43Å; L472-T476 WeakPolarHBondContact O-CB 3.17Å; L472-T476 PolarHBondContact O-N 2.8Å; L472-T476 PolarHBondContact O-OG1 3.07Å; H473-T476 WeakPolarHBondContact O-CA 3.48Å; H473-T476 WeakPolarHBondContact O-CB 3.45Å; H473-T476 PolarHBondContact O-N 3.05Å; D474-T476 VanDerWaalsContact C-N 3.33Å; D474-T476 PolarHBondContact O-N 3.28Å; T476-V478 VanDerWaalsContact C-N 3.33Å; T476-V478 PolarHBondContact O-N 3.19Å; T476-I479 PolarHBondContact O-N 3.02Å; T476-V480 HydrophobicContact CG2-CG2 4.49Å; T476-V480 WeakPolarHBondContact O-CG2 3.18Å; T476-V480 PolarHBondContact O-N 3.44Å; T476-I509 HydrophobicContact CG2-CD1 4.1Å; T476-I541 HydrophobicContact CG2-CG2 4.07Å; T476-A544 HydrophobicContact CG2-CB 3.85Å; T476-A545 HydrophobicContact CG2-CB 4.32Å
477K98.7Very high98.2Very high28 Ų2828.6 Ų28.612%0.12213%0.131CC..Hα-helixtrans-56.5-46.8174.7-53.4-17076.3161.40111.4H473 D474 V475 I479 V480 R481 A544 E547 T548 E551H473-K477 WeakPolarHBondContact O-CG 3.5Å; H473-K477 PolarHBondContact O-N 2.97Å; D474-K477 WeakPolarHBondContact O-CB 3.38Å; D474-K477 PolarHBondContact O-N 2.71Å; V475-K477 VanDerWaalsContact C-N 3.3Å; V475-K477 PolarHBondContact O-N 3.07Å; K477-I479 VanDerWaalsContact C-N 3.35Å; K477-I479 PolarHBondContact O-N 3.41Å; K477-V480 PolarHBondContact O-N 3.24Å; K477-R481 PolarHBondContact O-N 3.3Å; K477-A544 HydrophobicContact CG-CB 4.39Å; K477-E547 IonicContact NZ-OE1 3.93Å; K477-E547 PolarHBondContact NZ-OE1 3.29Å; K477-T548 VanDerWaalsContact CA-OG1 3.24Å; K477-T548 WeakPolarHBondContact CA-OG1 3.32Å; K477-T548 HydrophobicContact CB-CG2 4.27Å; K477-T548 WeakPolarHBondContact CB-OG1 3.3Å; K477-T548 VanDerWaalsContact CE-OG1 3.27Å; K477-T548 WeakPolarHBondContact CE-OG1 3.37Å; K477-T548 WeakPolarHBondContact CG-OG1 3.4Å; K477-T548 WeakPolarHBondContact O-CG2 3.5Å; K477-E551 WeakPolarHBondContact CE-OE1 3.39Å; K477-E551 IonicContact NZ-OE1 3.81Å; K477-E551 PolarHBondContact NZ-OE1 3.44Å; K477-E551 IonicContact NZ-OE2 3.79Å
478V98.6Very high98Very high9 Ų931.7 Ų31.76%0.05515%0.148CC..Hα-helixtrans-61.2-44.2178.2179.60000111E190 L194 D474 V475 T476 V480 R481 N482E190-V478 HydrophobicContact CG-CG2 4.42Å; L194-V478 HydrophobicContact CD1-CB 3.95Å; L194-V478 HydrophobicContact CD1-CG1 3.89Å; L194-V478 HydrophobicContact CD1-CG2 3.88Å; D474-V478 PolarHBondContact O-N 2.85Å; V475-V478 PolarHBondContact O-N 3.05Å; T476-V478 VanDerWaalsContact C-N 3.33Å; T476-V478 PolarHBondContact O-N 3.19Å; V478-V480 VanDerWaalsContact C-N 3.29Å; V478-V480 PolarHBondContact O-N 3.11Å; V478-R481 PolarHBondContact O-N 3.47Å; V478-R481 VanDerWaalsContact O-N 3.16Å; V478-N482 PolarHBondContact O-N 2.96Å; V478-N482 PolarHBondContact O-OD1 3.11Å
479I98.5Very high97.8Very high0 Ų029 Ų290%014%0.135CC..Hα-helixtrans-58.6-41178.4-65167.9000111.7F200 A452 I454 V475 T476 K477 N482 L483 I509F200-I479 HydrophobicContact CB-CD1 3.58Å; F200-I479 HydrophobicContact CB-CG1 4.21Å; F200-I479 HydrophobicContact CD1-CD1 4.13Å; F200-I479 HydrophobicContact CD1-CG1 3.93Å; F200-I479 HydrophobicContact CD2-CD1 3.99Å; F200-I479 HydrophobicContact CD2-CG1 3.7Å; F200-I479 HydrophobicContact CE1-CG1 4.16Å; F200-I479 HydrophobicContact CE2-CG1 3.98Å; F200-I479 HydrophobicContact CG-CD1 3.65Å; F200-I479 HydrophobicContact CG-CG1 3.68Å; F200-I479 HydrophobicContact CZ-CG1 4.19Å; A452-I479 HydrophobicContact CB-CG2 3.72Å; I454-I479 HydrophobicContact CD1-CD1 3.99Å; I454-I479 HydrophobicContact CG1-CD1 3.39Å; V475-I479 HydrophobicContact CG1-CD1 4.07Å; V475-I479 WeakPolarHBondContact O-CG1 3.34Å; V475-I479 PolarHBondContact O-N 3.01Å; V475-I479 VanDerWaalsContact O-N 3.11Å; T476-I479 PolarHBondContact O-N 3.02Å; K477-I479 VanDerWaalsContact C-N 3.35Å; K477-I479 PolarHBondContact O-N 3.41Å; I479-N482 PolarHBondContact O-N 3.16Å; I479-L483 HydrophobicContact CG2-CD1 3.84Å; I479-L483 HydrophobicContact CG2-CG 4.13Å; I479-L483 WeakPolarHBondContact O-CB 3.5Å; I479-L483 WeakPolarHBondContact O-CG 3.12Å; I479-L483 PolarHBondContact O-N 2.84Å; I479-I509 HydrophobicContact CG2-CD1 4.15Å; I479-I509 HydrophobicContact CG2-CG1 3.93Å
480V98.6Very high97.6Very high0 Ų027.8 Ų27.80%013%0.13CC..Hα-helixtrans-62-46.3177.9178.10000110.6T476 K477 V478 N482 L483 N484 I507 I509 A545 T548 L552T476-V480 HydrophobicContact CG2-CG2 4.49Å; T476-V480 WeakPolarHBondContact O-CG2 3.18Å; T476-V480 PolarHBondContact O-N 3.44Å; K477-V480 PolarHBondContact O-N 3.24Å; V478-V480 VanDerWaalsContact C-N 3.29Å; V478-V480 PolarHBondContact O-N 3.11Å; V480-N482 VanDerWaalsContact C-N 3.3Å; V480-N482 PolarHBondContact O-N 3.33Å; V480-L483 PolarHBondContact O-N 2.8Å; V480-N484 VanDerWaalsContact O-CB 3.27Å; V480-N484 WeakPolarHBondContact O-CB 3.26Å; V480-N484 PolarHBondContact O-N 2.99Å; V480-I507 HydrophobicContact CB-CD1 4.4Å; V480-I507 HydrophobicContact CG1-CD1 4.05Å; V480-I507 HydrophobicContact CG2-CD1 4.46Å; V480-I509 HydrophobicContact CG2-CD1 3.59Å; V480-A545 HydrophobicContact CG2-CB 3.91Å; V480-T548 HydrophobicContact CB-CG2 3.92Å; V480-T548 HydrophobicContact CG1-CG2 3.95Å; V480-L552 HydrophobicContact CG1-CD1 4.16Å
481R98.4Very high97.4Very high77 Ų7725.3 Ų25.329%0.29112%0.118SC..Hα-helixtrans-60.3-42.6176.1-60.5-175.4-144.3-78.4-4.8110.9K477 V478 N484 K485 T548 E551 L552K477-R481 PolarHBondContact O-N 3.3Å; V478-R481 PolarHBondContact O-N 3.47Å; V478-R481 VanDerWaalsContact O-N 3.16Å; R481-N484 PolarHBondContact O-N 2.89Å; R481-K485 WeakPolarHBondContact O-CG 3.25Å; R481-K485 PolarHBondContact O-N 3.45Å; R481-T548 HydrophobicContact CG-CG2 3.77Å; R481-E551 IonicContact CZ-OE2 3.37Å; R481-E551 IonicContact NH1-OE2 3.99Å; R481-E551 PolarHBondContact NH1-OE2 2.97Å; R481-E551 IonicContact NH2-OE2 2.79Å; R481-E551 PolarHBondContact NH2-OE2 3.26Å; R481-L552 HydrophobicContact CG-CD2 4.48Å
482N98.4Very high97.1Very high1 Ų123.3 Ų23.31%0.00511%0.108CC..Hα-helixtrans-64-52.2179.4-64.15.3000111.5I180 H181 T191 V478 I479 V480 N484 K485 V486I180-N482 HydrophobicContact CG2-CB 4.24Å; H181-N482 PolarHBondContact CE1-OD1 3.1Å; H181-N482 PolarHBondContact NE2-OD1 3.18Å; T191-N482 VanDerWaalsContact CG2-ND2 3.27Å; T191-N482 WeakPolarHBondContact CG2-ND2 3.17Å; T191-N482 PolarHBondContact OG1-ND2 3.34Å; T191-N482 PolarHBondContact OG1-OD1 2.98Å; V478-N482 PolarHBondContact O-N 2.96Å; V478-N482 PolarHBondContact O-OD1 3.11Å; I479-N482 PolarHBondContact O-N 3.16Å; V480-N482 VanDerWaalsContact C-N 3.3Å; V480-N482 PolarHBondContact O-N 3.33Å; N482-N484 VanDerWaalsContact C-N 3.29Å; N482-N484 PolarHBondContact O-N 2.83Å; N482-K485 PolarHBondContact O-N 3.08Å; N482-K485 VanDerWaalsContact O-N 3.13Å; N482-V486 WeakPolarHBondContact O-CG2 3.35Å; N482-V486 PolarHBondContact O-N 3.46Å
483L98.2Very high96.6Very high0 Ų024 Ų240%011%0.113CC..Hα-helixtrans-64.8-34.1-179.9-68.4179.6000112N450 A452 I479 V480 V486 I487 I507 I509N450-L483 HydrophobicContact CB-CD2 4.26Å; A452-L483 HydrophobicContact CB-CD1 4.04Å; A452-L483 HydrophobicContact CB-CD2 4.07Å; A452-L483 HydrophobicContact CB-CG 4.28Å; I479-L483 HydrophobicContact CG2-CD1 3.84Å; I479-L483 HydrophobicContact CG2-CG 4.13Å; I479-L483 WeakPolarHBondContact O-CB 3.5Å; I479-L483 WeakPolarHBondContact O-CG 3.12Å; I479-L483 PolarHBondContact O-N 2.84Å; V480-L483 PolarHBondContact O-N 2.8Å; L483-V486 WeakPolarHBondContact O-CB 3.47Å; L483-V486 PolarHBondContact O-N 2.86Å; L483-I487 PolarHBondContact O-N 3.05Å; L483-I507 HydrophobicContact CB-CB 3.95Å; L483-I507 HydrophobicContact CB-CD1 4.13Å; L483-I507 HydrophobicContact CB-CG2 3.71Å; L483-I507 HydrophobicContact CD1-CB 4.04Å; L483-I507 HydrophobicContact CD1-CD1 4.31Å; L483-I507 HydrophobicContact CD1-CG1 4.5Å; L483-I509 HydrophobicContact CD1-CG1 3.86Å
484N97.9Very high96.2Very high7 Ų724.3 Ų24.34%0.03712%0.116CC..Hα-helixtrans-66.1-37.5173.2-177.467000112.2V480 R481 N482 I487 R505 L552 N601V480-N484 VanDerWaalsContact O-CB 3.27Å; V480-N484 WeakPolarHBondContact O-CB 3.26Å; V480-N484 PolarHBondContact O-N 2.99Å; R481-N484 PolarHBondContact O-N 2.89Å; N482-N484 VanDerWaalsContact C-N 3.29Å; N482-N484 PolarHBondContact O-N 2.83Å; N484-I487 WeakPolarHBondContact O-CB 3.33Å; N484-I487 PolarHBondContact O-N 2.78Å; N484-R505 PolarHBondContact O-NH2 2.71Å; N484-R505 PolarHBondContact OD1-NE 3.24Å; N484-R505 VanDerWaalsContact OD1-NE 3.09Å; N484-R505 PolarHBondContact OD1-NH2 2.76Å; N484-L552 HydrophobicContact CB-CD1 3.97Å; N484-N601 PolarHBondContact OD1-ND2 3.43Å
485K97.4Very high95.9Very high55 Ų5526.1 Ų26.124%0.23912%0.122CC..Hα-helixtrans-69.7-32.8171.8-73.6-178.5176.1-1780112.4I180 H181 D184 R481 N482 I487 D488 C489I180-K485 HydrophobicContact CG2-CB 4.06Å; H181-K485 PolarHBondContact ND1-NZ 2.69Å; D184-K485 IonicContact OD2-NZ 3.59Å; D184-K485 PolarHBondContact OD2-NZ 3.1Å; R481-K485 WeakPolarHBondContact O-CG 3.25Å; R481-K485 PolarHBondContact O-N 3.45Å; N482-K485 PolarHBondContact O-N 3.08Å; N482-K485 VanDerWaalsContact O-N 3.13Å; K485-I487 PolarHBondContact O-N 3.49Å; K485-D488 PolarHBondContact O-N 3.29Å; K485-C489 PolarHBondContact O-N 3.19Å; K485-C489 VanDerWaalsContact O-N 3.09Å; K485-C489 PolarHBondContact O-SG 3.13Å
486V96.9Very high95.5Very high0 Ų027.5 Ų27.50%013%0.128CC..Hα-helixtrans-57.3-38.2174.7166.30000111.4I180 L217 N450 N482 L483 D488 C489 N490I180-V486 HydrophobicContact CD1-CG2 4.19Å; I180-V486 HydrophobicContact CG1-CG2 3.96Å; I180-V486 HydrophobicContact CG2-CG2 4.26Å; L217-V486 HydrophobicContact CB-CG1 3.74Å; L217-V486 HydrophobicContact CD1-CB 4.49Å; L217-V486 HydrophobicContact CD1-CG1 3.99Å; L217-V486 HydrophobicContact CD1-CG2 4.29Å; N450-V486 HydrophobicContact CB-CG1 4.16Å; N482-V486 WeakPolarHBondContact O-CG2 3.35Å; N482-V486 PolarHBondContact O-N 3.46Å; L483-V486 WeakPolarHBondContact O-CB 3.47Å; L483-V486 PolarHBondContact O-N 2.86Å; V486-D488 VanDerWaalsContact C-N 3.25Å; V486-D488 PolarHBondContact O-N 3.19Å; V486-C489 VanDerWaalsContact CA-SG 3.6Å; V486-C489 PolarHBondContact O-N 2.89Å; V486-N490 WeakPolarHBondContact O-CB 3.34Å; V486-N490 PolarHBondContact O-N 3.29Å
487I96.4Very high95.2Very high0 Ų027.5 Ų27.50%013%0.128CC..Hα-helixtrans-55.5-43.8174.6-63.6166.2000110.8N450 L483 N484 K485 Y492 M502 R505 I507N450-I487 VanDerWaalsContact ND2-CG1 3.28Å; N450-I487 WeakPolarHBondContact ND2-CG1 3.23Å; L483-I487 PolarHBondContact O-N 3.05Å; N484-I487 WeakPolarHBondContact O-CB 3.33Å; N484-I487 PolarHBondContact O-N 2.78Å; K485-I487 PolarHBondContact O-N 3.49Å; I487-Y492 PolarHBondContact O-OH 3.22Å; I487-M502 HydrophobicContact CG2-CE 4.43Å; I487-M502 HydrophobicContact CG2-SD 4.21Å; I487-R505 HydrophobicContact CD1-CB 3.74Å; I487-R505 HydrophobicContact CD1-CG 4.38Å; I487-I507 HydrophobicContact CD1-CG2 4.01Å
488D94.9Very high95Very high83 Ų8331.6 Ų31.644%0.44414%0.143SC..Hα-helixtrans-79.9-31.8-173.2-57.1-41.2000113K485 V486 R505K485-D488 PolarHBondContact O-N 3.29Å; V486-D488 VanDerWaalsContact C-N 3.25Å; V486-D488 PolarHBondContact O-N 3.19Å; D488-R505 IonicContact OD1-CZ 2.86Å; D488-R505 IonicContact OD1-NH1 2.7Å; D488-R505 PolarHBondContact OD1-NH1 2.85Å; D488-R505 IonicContact OD1-NH2 3.97Å; D488-R505 PolarHBondContact OD1-NH2 3.24Å; D488-R505 IonicContact OD2-CZ 3.65Å; D488-R505 IonicContact OD2-NH2 3.47Å; D488-R505 PolarHBondContact OD2-NH2 3.03Å
489C92.9Very high94.7Very high21 Ų2133 Ų3314%0.14215%0.151CC..Hα-helixtrans-93.7-6.1-179.665.40000114.8L217 K485 V486L217-C489 VanDerWaalsContact CD1-SG 3.57Å; K485-C489 PolarHBondContact O-N 3.19Å; K485-C489 VanDerWaalsContact O-N 3.09Å; K485-C489 PolarHBondContact O-SG 3.13Å; V486-C489 VanDerWaalsContact CA-SG 3.6Å; V486-C489 PolarHBondContact O-N 2.89Å
490N94.3Very high94.4Very high10 Ų1033.1 Ų33.15%0.05315%0.152CC..  trans-68.7133.8-180178.771.1000112.1P215 L217 S218 V486 Y492P215-N490 PolarHBondContact O-OD1 2.66Å; L217-N490 HydrophobicContact CB-CB 4.5Å; L217-N490 PolarHBondContact N-OD1 3.42Å; S218-N490 PolarHBondContact N-OD1 3.38Å; S218-N490 PolarHBondContact OG-OD1 2.81Å; V486-N490 WeakPolarHBondContact O-CB 3.34Å; V486-N490 PolarHBondContact O-N 3.29Å; N490-Y492 HydrophobicContact CB-CE2 4.1Å; N490-Y492 VanDerWaalsContact ND2-CD1 3.32Å; N490-Y492 WeakPolarHBondContact ND2-CD1 3.42Å; N490-Y492 VanDerWaalsContact ND2-CE1 3.31Å; N490-Y492 WeakPolarHBondContact ND2-CE1 3.41Å; N490-Y492 WeakPolarHBondContact O-CD2 3.44Å; N490-Y492 WeakPolarHBondContact O-CE2 3.39Å; N490-Y492 PolarHBondContact O-N 2.77Å
491Y93.2Very high94.2Very high94 Ų9433.1 Ų33.137%0.36915%0.152SC..  trans-77.5115.8164.5177.5-91.7000109.6K214 P215K214-Y491 HydrophobicContact CB-CG 4.48Å; P215-Y491 PolarHBondContact O-N 3Å
492Y92.6Very high94Very high22 Ų2232 Ų329%0.08615%0.151CC..  trans-87.9123.3179-67.7-85.8000110.8V448 I487 N490 V494 A497 R498 N501 M502V448-Y492 HydrophobicContact CG1-CE1 4.34Å; V448-Y492 HydrophobicContact CG2-CD1 4.49Å; V448-Y492 HydrophobicContact CG2-CE1 4.28Å; I487-Y492 PolarHBondContact O-OH 3.22Å; N490-Y492 HydrophobicContact CB-CE2 4.1Å; N490-Y492 VanDerWaalsContact ND2-CD1 3.32Å; N490-Y492 WeakPolarHBondContact ND2-CD1 3.42Å; N490-Y492 VanDerWaalsContact ND2-CE1 3.31Å; N490-Y492 WeakPolarHBondContact ND2-CE1 3.41Å; N490-Y492 WeakPolarHBondContact O-CD2 3.44Å; N490-Y492 WeakPolarHBondContact O-CE2 3.39Å; N490-Y492 PolarHBondContact O-N 2.77Å; Y492-V494 PolarHBondContact O-N 2.97Å; Y492-A497 VanDerWaalsContact CD1-C 3.49Å; Y492-A497 HydrophobicContact CD1-CB 3.93Å; Y492-A497 WeakPolarHBondContact CE1-O 3.2Å; Y492-R498 HydrophobicContact CD1-CB 4.1Å; Y492-R498 HydrophobicContact CD2-CB 3.69Å; Y492-R498 HydrophobicContact CD2-CG 3.65Å; Y492-R498 HydrophobicContact CE2-CB 4.3Å; Y492-R498 HydrophobicContact CE2-CG 4.01Å; Y492-R498 HydrophobicContact CG-CB 3.56Å; Y492-R498 HydrophobicContact CG-CG 4.09Å; Y492-N501 HydrophobicContact CE1-CB 3.69Å; Y492-N501 WeakPolarHBondContact CE1-ND2 3.48Å; Y492-N501 WeakPolarHBondContact OH-CB 3.31Å; Y492-N501 VanDerWaalsContact OH-CG 3.27Å; Y492-N501 PolarHBondContact OH-ND2 2.97Å; Y492-M502 HydrophobicContact CE2-CE 4.19Å
493P88.4Confident93.8Very high16 Ų1636.7 Ų36.710%0.10417%0.169CC..SBendtrans-67.8-24.2-179.325.7-33.5000113.3F221 I242 I243F221-P493 HydrophobicContact CE1-CG 3.92Å; F221-P493 HydrophobicContact CZ-CG 3.75Å; I242-P493 HydrophobicContact CG2-CB 4.05Å; I242-P493 WeakPolarHBondContact CG2-O 3.48Å; I243-P493 HydrophobicContact CG1-CG 3.96Å
494V90.8Very high93.6Very high14 Ų1436.9 Ų36.99%0.08517%0.169CC..SBendtrans-139.7147.3179.9-59.90000109.4E239 I242 I243 T446 Y492 Q496 A497 R498E239-V494 HydrophobicContact CB-CG1 4.5Å; E239-V494 HydrophobicContact CG-CG1 4.28Å; I242-V494 HydrophobicContact CB-CG1 4.32Å; I242-V494 HydrophobicContact CG2-CG1 4.13Å; I243-V494 HydrophobicContact CD1-CG2 4.23Å; I243-V494 HydrophobicContact CG1-CG1 4.37Å; I243-V494 HydrophobicContact CG1-CG2 4.39Å; T446-V494 HydrophobicContact CG2-CG2 4.5Å; Y492-V494 PolarHBondContact O-N 2.97Å; V494-Q496 VanDerWaalsContact C-N 3.29Å; V494-Q496 PolarHBondContact O-N 3.04Å; V494-A497 HydrophobicContact CG2-CB 3.61Å; V494-A497 WeakPolarHBondContact O-CB 3.27Å; V494-A497 PolarHBondContact O-N 3.15Å; V494-R498 PolarHBondContact O-N 3.44Å
495E91.7Very high93.6Very high109 Ų10936.9 Ų36.951%0.50917%0.169SC..Hα-helixtrans-69.4-27.9-173.2-173.656.2-150.800112.7A497 R498 T499E495-A497 VanDerWaalsContact C-N 3.31Å; E495-A497 PolarHBondContact O-N 2.62Å; E495-R498 WeakPolarHBondContact O-CB 3.3Å; E495-R498 PolarHBondContact O-N 2.76Å; E495-R498 VanDerWaalsContact O-N 3.16Å; E495-R498 IonicContact OE1-NH1 3.95Å; E495-T499 PolarHBondContact O-N 3.12Å; E495-T499 PolarHBondContact O-OG1 2.58Å; E495-T499 VanDerWaalsContact O-OG1 3.05Å
496Q90.5Very high93.6Very high31 Ų3134.3 Ų34.315%0.14516%0.158CC..Hα-helixtrans-61.5-42176.1-61.192.3-19.600111.7E239 E442 N445 V494 R498 T499 S500E239-Q496 PolarHBondContact OE1-NE2 2.85Å; E442-Q496 WeakPolarHBondContact O-CG 3.28Å; E442-Q496 PolarHBondContact O-NE2 2.83Å; N445-Q496 HydrophobicContact CB-CB 4.4Å; N445-Q496 HydrophobicContact CB-CG 4.31Å; V494-Q496 VanDerWaalsContact C-N 3.29Å; V494-Q496 PolarHBondContact O-N 3.04Å; Q496-R498 VanDerWaalsContact C-N 3.31Å; Q496-R498 PolarHBondContact O-N 3.17Å; Q496-T499 PolarHBondContact O-N 3.44Å; Q496-S500 WeakPolarHBondContact O-CB 3.16Å; Q496-S500 PolarHBondContact O-N 2.74Å
497A92.4Very high93.7Very high0 Ų034.3 Ų34.30%016%0.158CC..Hα-helixtrans-62.4-40.717600000111F221 T446 V448 Y492 V494 E495 N501F221-A497 HydrophobicContact CD1-CB 4.16Å; F221-A497 HydrophobicContact CE1-CB 3.91Å; T446-A497 HydrophobicContact CG2-CB 3.96Å; V448-A497 HydrophobicContact CG2-CB 3.48Å; V448-A497 VanDerWaalsContact CG2-CB 3.48Å; V448-A497 WeakPolarHBondContact CG2-O 3.28Å; Y492-A497 VanDerWaalsContact CD1-C 3.49Å; Y492-A497 HydrophobicContact CD1-CB 3.93Å; Y492-A497 WeakPolarHBondContact CE1-O 3.2Å; V494-A497 HydrophobicContact CG2-CB 3.61Å; V494-A497 WeakPolarHBondContact O-CB 3.27Å; V494-A497 PolarHBondContact O-N 3.15Å; E495-A497 VanDerWaalsContact C-N 3.31Å; E495-A497 PolarHBondContact O-N 2.62Å; A497-N501 VanDerWaalsContact O-CB 3.27Å; A497-N501 WeakPolarHBondContact O-CB 3.49Å; A497-N501 PolarHBondContact O-N 3.48Å; A497-N501 VanDerWaalsContact O-N 3.15Å
498R93.4Very high93.7Very high114 Ų11434.3 Ų34.343%0.4316%0.158SC..Hα-helixtrans-63.3-48.7174.9-173.6173.4-177.4-84.7-5.8111.1Y492 V494 E495 Q496 N501 M502Y492-R498 HydrophobicContact CD1-CB 4.1Å; Y492-R498 HydrophobicContact CD2-CB 3.69Å; Y492-R498 HydrophobicContact CD2-CG 3.65Å; Y492-R498 HydrophobicContact CE2-CB 4.3Å; Y492-R498 HydrophobicContact CE2-CG 4.01Å; Y492-R498 HydrophobicContact CG-CB 3.56Å; Y492-R498 HydrophobicContact CG-CG 4.09Å; V494-R498 PolarHBondContact O-N 3.44Å; E495-R498 WeakPolarHBondContact O-CB 3.3Å; E495-R498 PolarHBondContact O-N 2.76Å; E495-R498 VanDerWaalsContact O-N 3.16Å; E495-R498 IonicContact OE1-NH1 3.95Å; Q496-R498 VanDerWaalsContact C-N 3.31Å; Q496-R498 PolarHBondContact O-N 3.17Å; R498-N501 PolarHBondContact O-N 2.85Å; R498-M502 HydrophobicContact CG-CG 4.25Å; R498-M502 WeakPolarHBondContact O-CB 3.47Å; R498-M502 WeakPolarHBondContact O-CG 3.46Å; R498-M502 PolarHBondContact O-N 3.01Å
499T92.4Very high93.9Very high39 Ų3930.4 Ų30.424%0.23914%0.137CC..Hα-helixtrans-62.4-48.1-176.7-60.40000111.8V443 F444 E495 Q496 R503V443-T499 HydrophobicContact CG1-CG2 3.7Å; F444-T499 HydrophobicContact CD1-CG2 4.24Å; F444-T499 HydrophobicContact CE1-CG2 3.94Å; E495-T499 PolarHBondContact O-N 3.12Å; E495-T499 PolarHBondContact O-OG1 2.58Å; E495-T499 VanDerWaalsContact O-OG1 3.05Å; Q496-T499 PolarHBondContact O-N 3.44Å; T499-R503 VanDerWaalsContact O-CB 3.24Å; T499-R503 WeakPolarHBondContact O-CB 3.4Å; T499-R503 PolarHBondContact O-N 3.2Å
500S93Very high94.2Very high2 Ų229.5 Ų29.51%0.01413%0.131CC..Hα-helixtrans-59.7-49.8177.5-179.10000111.8T446 Q496 M502 R503 H504T446-S500 WeakPolarHBondContact O-CB 3.49Å; T446-S500 PolarHBondContact O-OG 3.43Å; Q496-S500 WeakPolarHBondContact O-CB 3.16Å; Q496-S500 PolarHBondContact O-N 2.74Å; S500-M502 PolarHBondContact O-N 3.31Å; S500-R503 PolarHBondContact O-N 2.85Å; S500-H504 PolarHBondContact O-CD2 3.06Å; S500-H504 VanDerWaalsContact O-CD2 3.23Å; S500-H504 PolarHBondContact O-N 2.98Å
501N93.8Very high94.4Very high0 Ų029 Ų290%013%0.128CC..Hα-helixtrans-68.1-36.4-176.1-154.1-2.5000112V448 N450 Y492 A497 R498 R505V448-N501 HydrophobicContact CB-CB 4.14Å; V448-N501 WeakPolarHBondContact CG1-ND2 3.47Å; V448-N501 HydrophobicContact CG2-CB 4.31Å; N450-N501 PolarHBondContact ND2-ND2 2.83Å; N450-N501 PolarHBondContact ND2-OD1 3.03Å; Y492-N501 HydrophobicContact CE1-CB 3.69Å; Y492-N501 WeakPolarHBondContact CE1-ND2 3.48Å; Y492-N501 WeakPolarHBondContact OH-CB 3.31Å; Y492-N501 VanDerWaalsContact OH-CG 3.27Å; Y492-N501 PolarHBondContact OH-ND2 2.97Å; A497-N501 VanDerWaalsContact O-CB 3.27Å; A497-N501 WeakPolarHBondContact O-CB 3.49Å; A497-N501 PolarHBondContact O-N 3.48Å; A497-N501 VanDerWaalsContact O-N 3.15Å; R498-N501 PolarHBondContact O-N 2.85Å; N501-R505 WeakPolarHBondContact O-CA 3.36Å; N501-R505 WeakPolarHBondContact O-CG 3.48Å; N501-R505 PolarHBondContact O-N 3.04Å
502M94.4Very high94.6Very high55 Ų5524.6 Ų24.627%0.27111%0.111SC..Hα-helixtrans-68.7-34.9174.8-70.5-67.5173.600112.8I487 Y492 R498 S500 R505I487-M502 HydrophobicContact CG2-CE 4.43Å; I487-M502 HydrophobicContact CG2-SD 4.21Å; Y492-M502 HydrophobicContact CE2-CE 4.19Å; R498-M502 HydrophobicContact CG-CG 4.25Å; R498-M502 WeakPolarHBondContact O-CB 3.47Å; R498-M502 WeakPolarHBondContact O-CG 3.46Å; R498-M502 PolarHBondContact O-N 3.01Å; S500-M502 PolarHBondContact O-N 3.31Å; M502-R505 WeakPolarHBondContact O-CG 3.37Å
503R93.9Very high94.8Very high99 Ų9923.5 Ų23.537%0.37411%0.107SC..Hα-helixtrans-76.6-43.3-176.7-170.6174.6-175.1-175.7-0112.8T499 S500 A560 T561T499-R503 VanDerWaalsContact O-CB 3.24Å; T499-R503 WeakPolarHBondContact O-CB 3.4Å; T499-R503 PolarHBondContact O-N 3.2Å; S500-R503 PolarHBondContact O-N 2.85Å; R503-A560 HydrophobicContact CG-CB 4.1Å; R503-A560 PolarHBondContact O-N 3.31Å; R503-A560 VanDerWaalsContact O-N 3.17Å; R503-T561 HydrophobicContact CG-CG2 3.68Å
504H95.2Very high95.3Very high3 Ų322.8 Ų22.81%0.01410%0.102CC..Hα-helixtrans-106.5-23-172.3-48.6-51.8000113.1L422 S500 P506 T561 S602L422-H504 WeakPolarHBondContact CD1-CE1 3.15Å; L422-H504 WeakPolarHBondContact CD1-ND1 3.15Å; S500-H504 PolarHBondContact O-CD2 3.06Å; S500-H504 VanDerWaalsContact O-CD2 3.23Å; S500-H504 PolarHBondContact O-N 2.98Å; H504-P506 VanDerWaalsContact C-CD 3.44Å; H504-T561 PolarHBondContact ND1-OG1 3.26Å; H504-S602 WeakPolarHBondContact O-CB 3.31Å; H504-S602 PolarHBondContact O-N 3.32Å; H504-S602 PolarHBondContact O-OG 3.39Å
505R97.1Very high95.6Very high8 Ų822.3 Ų22.33%0.0310%0.099CC..  trans48.745.8178.2-54.1-168.87188.2-3.2115.3N484 I487 D488 N501 M502 R600 N601N484-R505 PolarHBondContact O-NH2 2.71Å; N484-R505 PolarHBondContact OD1-NE 3.24Å; N484-R505 VanDerWaalsContact OD1-NE 3.09Å; N484-R505 PolarHBondContact OD1-NH2 2.76Å; I487-R505 HydrophobicContact CD1-CB 3.74Å; I487-R505 HydrophobicContact CD1-CG 4.38Å; D488-R505 IonicContact OD1-CZ 2.86Å; D488-R505 IonicContact OD1-NH1 2.7Å; D488-R505 PolarHBondContact OD1-NH1 2.85Å; D488-R505 IonicContact OD1-NH2 3.97Å; D488-R505 PolarHBondContact OD1-NH2 3.24Å; D488-R505 IonicContact OD2-CZ 3.65Å; D488-R505 IonicContact OD2-NH2 3.47Å; D488-R505 PolarHBondContact OD2-NH2 3.03Å; N501-R505 WeakPolarHBondContact O-CA 3.36Å; N501-R505 WeakPolarHBondContact O-CG 3.48Å; N501-R505 PolarHBondContact O-N 3.04Å; M502-R505 WeakPolarHBondContact O-CG 3.37Å; R505-R600 WeakPolarHBondContact CB-O 3.34Å; R505-N601 WeakPolarHBondContact O-CA 3.29Å; R505-N601 VanDerWaalsContact O-CB 3.23Å; R505-N601 WeakPolarHBondContact O-CB 3.42Å; R505-N601 PolarHBondContact O-ND2 3.22Å
506P97.6Very high95.8Very high1 Ų117.2 Ų17.21%0.0068%0.076CC..  trans-70.8147.1178.833.5-36.3000111.6E436 N450 H504 L603E436-P506 HydrophobicContact CG-CB 4.21Å; E436-P506 HydrophobicContact CG-CG 4.34Å; E436-P506 WeakPolarHBondContact OE1-CB 3.38Å; N450-P506 PolarHBondContact ND2-O 3.3Å; N450-P506 VanDerWaalsContact ND2-O 3.12Å; H504-P506 VanDerWaalsContact C-CD 3.44Å; P506-L603 HydrophobicContact CB-CB 4.16Å
507I98.1Very high96.2Very high0 Ų015.8 Ų15.80%07%0.069CC..  trans-132.6160.5170.368.7176.6000109.3V480 L483 I487 I509 L603 L604 Q710V480-I507 HydrophobicContact CB-CD1 4.4Å; V480-I507 HydrophobicContact CG1-CD1 4.05Å; V480-I507 HydrophobicContact CG2-CD1 4.46Å; L483-I507 HydrophobicContact CB-CB 3.95Å; L483-I507 HydrophobicContact CB-CD1 4.13Å; L483-I507 HydrophobicContact CB-CG2 3.71Å; L483-I507 HydrophobicContact CD1-CB 4.04Å; L483-I507 HydrophobicContact CD1-CD1 4.31Å; L483-I507 HydrophobicContact CD1-CG1 4.5Å; I487-I507 HydrophobicContact CD1-CG2 4.01Å; I507-I509 HydrophobicContact CD1-CD1 4.28Å; I507-I509 HydrophobicContact CD1-CG1 4.48Å; I507-L603 WeakPolarHBondContact CG1-O 3.46Å; I507-L603 PolarHBondContact N-O 2.91Å; I507-L603 CarbonylContact O-C 3.45Å; I507-L604 HydrophobicContact CD1-CD2 3.76Å; I507-L604 HydrophobicContact CG1-CD2 3.93Å; I507-L604 CarbonylContact O-C 3.52Å; I507-L604 WeakPolarHBondContact O-CA 3.42Å; I507-L604 PolarHBondContact O-N 3Å; I507-Q710 PolarHBondContact O-NE2 3.01Å
508G98Very high96.5Very high0 Ų015.9 Ų15.90%07%0.069CC..EExtended strand (participates in β ladder)trans-131.898.8178.900000111.8N450 L451 A452N450-G508 PolarHBondContact O-N 3.22Å; L451-G508 WeakPolarHBondContact CA-O 3.15Å; L451-G508 WeakPolarHBondContact CD2-O 3.37Å; A452-G508 PolarHBondContact N-O 3.33Å
509I98.6Very high96.6Very high1 Ų111 Ų111%0.0055%0.052CC..EExtended strand (participates in β ladder)trans-88120.1172.7-57.9171.7000108.2I454 T476 I479 V480 L483 I507 I541 A545 L604 V605 A606I454-I509 HydrophobicContact CD1-CG2 3.83Å; I454-I509 HydrophobicContact CG1-CG2 4.31Å; T476-I509 HydrophobicContact CG2-CD1 4.1Å; I479-I509 HydrophobicContact CG2-CD1 4.15Å; I479-I509 HydrophobicContact CG2-CG1 3.93Å; V480-I509 HydrophobicContact CG2-CD1 3.59Å; L483-I509 HydrophobicContact CD1-CG1 3.86Å; I507-I509 HydrophobicContact CD1-CD1 4.28Å; I507-I509 HydrophobicContact CD1-CG1 4.48Å; I509-I541 HydrophobicContact CG2-CG2 3.96Å; I509-A545 HydrophobicContact CD1-CB 4.1Å; I509-L604 WeakPolarHBondContact CB-O 3.47Å; I509-L604 WeakPolarHBondContact CG1-O 3.33Å; I509-L604 PolarHBondContact N-O 3.14Å; I509-V605 WeakPolarHBondContact O-CA 3.24Å; I509-V605 WeakPolarHBondContact O-CG1 3.18Å; I509-A606 PolarHBondContact O-N 3.37Å
510G98.1Very high96.8Very high1 Ų111.1 Ų11.11%0.015%0.051CC..EExtended strand (participates in β ladder)trans-113.4-171.8174.400000112.1A452 S453 I454A452-G510 PolarHBondContact O-N 3.49Å; S453-G510 WeakPolarHBondContact CA-O 3.47Å; I454-G510 PolarHBondContact N-O 3.27Å
511V98.6Very high97Very high1 Ų111.4 Ų11.41%0.0065%0.052CC..EExtended strand (participates in β ladder)trans-132.4164.8178.8-60.10000110I454 L456 F538 I541 A622 I623I454-V511 CarbonylContact O-C 3.57Å; I454-V511 WeakPolarHBondContact O-CA 3.32Å; L456-V511 HydrophobicContact CD1-CB 3.69Å; L456-V511 HydrophobicContact CD1-CG1 4.05Å; L456-V511 HydrophobicContact CD1-CG2 3.97Å; L456-V511 HydrophobicContact CD2-CB 4.2Å; L456-V511 HydrophobicContact CD2-CG1 3.9Å; L456-V511 HydrophobicContact CG-CB 3.89Å; L456-V511 HydrophobicContact CG-CG1 4.16Å; V511-F538 HydrophobicContact CG1-CE1 4.14Å; V511-F538 HydrophobicContact CG1-CZ 4.11Å; V511-F538 HydrophobicContact CG2-CE1 4.31Å; V511-F538 HydrophobicContact CG2-CZ 3.66Å; V511-I541 HydrophobicContact CG1-CD1 3.53Å; V511-A622 WeakPolarHBondContact O-CA 3.46Å; V511-I623 HydrophobicContact CG2-CG2 3.59Å
512Q98.2Very high97.1Very high0 Ų014.6 Ų14.60%06%0.064CC..EExtended strand (participates in β ladder)trans-146.9155.6167.853.8173.2-76.300109.3S453 I454 L456 T610 A614 N619S453-Q512 PolarHBondContact OG-NE2 2.8Å; I454-Q512 WeakPolarHBondContact O-CG 3.37Å; I454-Q512 PolarHBondContact O-N 3.41Å; L456-Q512 PolarHBondContact N-O 3.03Å; Q512-T610 HydrophobicContact CB-CG2 4.19Å; Q512-A614 HydrophobicContact CB-CB 4.34Å; Q512-A614 VanDerWaalsContact OE1-CA 3.26Å; Q512-N619 PolarHBondContact OE1-ND2 3.24Å
513G97.3Very high97.3Very high0 Ų014.9 Ų14.90%06%0.063CC..  trans68.136-179.300000114.8D516 A517 N620 A622G513-D516 WeakPolarHBondContact CA-OD2 3.47Å; G513-D516 WeakPolarHBondContact O-CB 3.33Å; G513-D516 PolarHBondContact O-N 3.05Å; G513-A517 PolarHBondContact O-N 3.05Å; G513-N620 WeakPolarHBondContact CA-O 3.28Å; G513-N620 PolarHBondContact N-O 2.79Å; G513-A622 PolarHBondContact N-O 2.98Å
514L98.2Very high97.4Very high0 Ų011.7 Ų11.70%05%0.054CC..Hα-helixtrans-60.6-45.7172.4-176.166.2000111.3L456 D516 A517 F518 F525 I537 A622 I623L456-L514 HydrophobicContact CD1-CB 4Å; L456-L514 HydrophobicContact CD1-CD1 3.62Å; L456-L514 HydrophobicContact CD1-CG 4.44Å; L514-D516 VanDerWaalsContact C-N 3.29Å; L514-D516 PolarHBondContact O-N 3.42Å; L514-A517 PolarHBondContact O-N 3.32Å; L514-F518 HydrophobicContact CD1-CE1 3.8Å; L514-F518 HydrophobicContact CD1-CE2 4.15Å; L514-F518 HydrophobicContact CD1-CZ 3.54Å; L514-F518 HydrophobicContact CD2-CE2 4.07Å; L514-F518 HydrophobicContact CD2-CZ 4.05Å; L514-F518 HydrophobicContact CG-CD2 4.42Å; L514-F518 HydrophobicContact CG-CE1 4.29Å; L514-F518 HydrophobicContact CG-CE2 3.75Å; L514-F518 HydrophobicContact CG-CZ 3.68Å; L514-F518 WeakPolarHBondContact O-CG 3.08Å; L514-F518 PolarHBondContact O-N 2.67Å; L514-F518 VanDerWaalsContact O-N 3.08Å; L514-F525 HydrophobicContact CD2-CZ 4.42Å; L514-I537 HydrophobicContact CD1-CD1 4.32Å; L514-A622 PolarHBondContact N-O 3.32Å; L514-I623 HydrophobicContact CD2-CB 3.95Å; L514-I623 HydrophobicContact CD2-CG2 4.12Å
515A97.4Very high97.5Very high4 Ų412.4 Ų12.43%0.0336%0.058CC..Hα-helixtrans-61.8-37.517500000112.3F518 I519 F525 N620 E624 Y626A515-F518 PolarHBondContact O-N 3.47Å; A515-I519 WeakPolarHBondContact O-CB 3.43Å; A515-I519 WeakPolarHBondContact O-CD1 3.37Å; A515-I519 VanDerWaalsContact O-CG1 3.24Å; A515-I519 WeakPolarHBondContact O-CG1 3.12Å; A515-I519 PolarHBondContact O-N 3.44Å; A515-F525 HydrophobicContact CB-CE2 4.27Å; A515-N620 HydrophobicContact CB-CB 4.35Å; A515-E624 WeakPolarHBondContact CB-O 3.16Å; A515-Y626 HydrophobicContact CB-CD2 3.75Å; A515-Y626 HydrophobicContact CB-CE2 3.96Å
516D96.8Very high97.5Very high3 Ų315.5 Ų15.52%0.0167%0.072CC..Hα-helixtrans-62.9-45.1175.8-55.6-68.6000111.2G513 L514 F518 I519 L520 N620 Y626 H646G513-D516 WeakPolarHBondContact CA-OD2 3.47Å; G513-D516 WeakPolarHBondContact O-CB 3.33Å; G513-D516 PolarHBondContact O-N 3.05Å; L514-D516 VanDerWaalsContact C-N 3.29Å; L514-D516 PolarHBondContact O-N 3.42Å; D516-F518 VanDerWaalsContact C-N 3.34Å; D516-F518 PolarHBondContact O-N 3.23Å; D516-I519 PolarHBondContact O-N 3.46Å; D516-L520 WeakPolarHBondContact O-CB 3.23Å; D516-L520 VanDerWaalsContact O-CG 3.23Å; D516-L520 WeakPolarHBondContact O-CG 3.44Å; D516-L520 PolarHBondContact O-N 3.03Å; D516-N620 WeakPolarHBondContact OD2-CB 3.41Å; D516-N620 PolarHBondContact OD2-N 2.92Å; D516-Y626 PolarHBondContact OD1-OH 3.28Å; D516-H646 IonicContact OD1-CD2 3.76Å; D516-H646 PolarHBondContact OD1-CD2 2.93Å; D516-H646 IonicContact OD1-CE1 2.69Å; D516-H646 IonicContact OD1-NE2 2.98Å; D516-H646 PolarHBondContact OD1-NE2 3.22Å
517A97.8Very high97.4Very high0 Ų016.3 Ų16.30%08%0.078CC..Hα-helixtrans-59.6-43.5177.300000112L456 V460 Y467 G513 L514 L520 M521L456-A517 HydrophobicContact CB-CB 4.01Å; V460-A517 HydrophobicContact CG2-CB 4.2Å; Y467-A517 HydrophobicContact CE2-CB 4.33Å; G513-A517 PolarHBondContact O-N 3.05Å; L514-A517 PolarHBondContact O-N 3.32Å; A517-L520 PolarHBondContact O-N 2.87Å; A517-M521 WeakPolarHBondContact O-CB 3.27Å; A517-M521 VanDerWaalsContact O-CG 3.26Å; A517-M521 WeakPolarHBondContact O-CG 3.48Å; A517-M521 PolarHBondContact O-N 2.96Å
518F97.9Very high97.4Very high2 Ų220 Ų201%0.00911%0.108CC..Hα-helixtrans-63.4-44.3175.8-64.9-18.5000112.4L514 A515 D516 L520 M521 R522 Y523 F525 A530 L533 N534 M700L514-F518 HydrophobicContact CD1-CE1 3.8Å; L514-F518 HydrophobicContact CD1-CE2 4.15Å; L514-F518 HydrophobicContact CD1-CZ 3.54Å; L514-F518 HydrophobicContact CD2-CE2 4.07Å; L514-F518 HydrophobicContact CD2-CZ 4.05Å; L514-F518 HydrophobicContact CG-CD2 4.42Å; L514-F518 HydrophobicContact CG-CE1 4.29Å; L514-F518 HydrophobicContact CG-CE2 3.75Å; L514-F518 HydrophobicContact CG-CZ 3.68Å; L514-F518 WeakPolarHBondContact O-CG 3.08Å; L514-F518 PolarHBondContact O-N 2.67Å; L514-F518 VanDerWaalsContact O-N 3.08Å; A515-F518 PolarHBondContact O-N 3.47Å; D516-F518 VanDerWaalsContact C-N 3.34Å; D516-F518 PolarHBondContact O-N 3.23Å; F518-L520 PolarHBondContact O-N 3.45Å; F518-M521 CarbonylContact O-C 3.56Å; F518-M521 PolarHBondContact O-N 3.29Å; F518-R522 PolarHBondContact O-N 2.99Å; F518-Y523 PolarHBondContact O-N 3.38Å; F518-F525 AromaticContact CD2-CD2 3.6Å; F518-F525 HydrophobicContact CD2-CD2 3.6Å; F518-F525 AromaticContact CD2-CE2 3.79Å; F518-F525 HydrophobicContact CD2-CE2 3.79Å; F518-F525 HydrophobicContact CD2-CG 4.11Å; F518-F525 HydrophobicContact CD2-CZ 4.45Å; F518-F525 HydrophobicContact CE2-CD1 4.48Å; F518-F525 AromaticContact CE2-CD2 3.96Å; F518-F525 HydrophobicContact CE2-CD2 3.96Å; F518-F525 HydrophobicContact CE2-CE1 4.34Å; F518-F525 AromaticContact CE2-CE2 3.8Å; F518-F525 HydrophobicContact CE2-CE2 3.8Å; F518-F525 HydrophobicContact CE2-CG 4.3Å; F518-F525 HydrophobicContact CE2-CZ 4Å; F518-A530 HydrophobicContact CD1-CB 4.27Å; F518-A530 HydrophobicContact CD2-CB 4.19Å; F518-A530 HydrophobicContact CE1-CB 4.23Å; F518-A530 HydrophobicContact CE2-CB 4.16Å; F518-A530 HydrophobicContact CG-CB 4.26Å; F518-A530 HydrophobicContact CZ-CB 4.18Å; F518-L533 HydrophobicContact CD1-CD2 3.96Å; F518-L533 HydrophobicContact CE1-CB 4.32Å; F518-L533 HydrophobicContact CE1-CD2 4.1Å; F518-L533 HydrophobicContact CE1-CG 4.22Å; F518-N534 HydrophobicContact CZ-CB 4.15Å; F518-M700 HydrophobicContact CE2-CE 3.56Å; F518-M700 HydrophobicContact CZ-CE 3.56Å
519I97.1Very high97.4Very high11 Ų1124.7 Ų24.76%0.05613%0.131CC..Hα-helixtrans-63.2-44.2178.7-70.1162.7000111.3A515 D516 M521 R522 Y626 H646 L685 Y686A515-I519 WeakPolarHBondContact O-CB 3.43Å; A515-I519 WeakPolarHBondContact O-CD1 3.37Å; A515-I519 VanDerWaalsContact O-CG1 3.24Å; A515-I519 WeakPolarHBondContact O-CG1 3.12Å; A515-I519 PolarHBondContact O-N 3.44Å; D516-I519 PolarHBondContact O-N 3.46Å; I519-M521 VanDerWaalsContact C-N 3.32Å; I519-M521 PolarHBondContact O-N 3.02Å; I519-R522 WeakPolarHBondContact O-CA 3.3Å; I519-R522 VanDerWaalsContact O-CD 3.27Å; I519-R522 WeakPolarHBondContact O-CD 3.38Å; I519-R522 PolarHBondContact O-N 3.36Å; I519-Y626 HydrophobicContact CD1-CD2 3.75Å; I519-Y626 HydrophobicContact CD1-CE2 3.65Å; I519-H646 HydrophobicContact CG2-CB 3.54Å; I519-L685 HydrophobicContact CG2-CD2 4.41Å; I519-Y686 HydrophobicContact CD1-CD1 4.16Å; I519-Y686 HydrophobicContact CD1-CE1 3.9Å; I519-Y686 HydrophobicContact CG1-CE1 4.14Å; I519-Y686 HydrophobicContact CG2-CE1 3.68Å; I519-Y686 WeakPolarHBondContact CG2-OH 3.34Å
520L96.4Very high97.3Very high42 Ų4224.7 Ų24.722%0.2213%0.13CC..Hα-helixtrans-63.4-37.2177.6-69.4171.3000111.9V460 V462 D516 A517 F518 R522V460-L520 HydrophobicContact CB-CB 4.2Å; V460-L520 HydrophobicContact CB-CD1 4.42Å; V460-L520 HydrophobicContact CG1-CB 3.76Å; V460-L520 HydrophobicContact CG2-CB 4.31Å; V462-L520 HydrophobicContact CG2-CD2 4.09Å; D516-L520 WeakPolarHBondContact O-CB 3.23Å; D516-L520 VanDerWaalsContact O-CG 3.23Å; D516-L520 WeakPolarHBondContact O-CG 3.44Å; D516-L520 PolarHBondContact O-N 3.03Å; A517-L520 PolarHBondContact O-N 2.87Å; F518-L520 PolarHBondContact O-N 3.45Å; L520-R522 PolarHBondContact O-N 2.8Å
521M96.9Very high97.3Very high9 Ų926.6 Ų26.64%0.04414%0.139CC..Hα-helixtrans-75.5-9.6172.7-67.8-67.1-68.300113.6V460 R465 A517 F518 I519 Y523 L533V460-M521 HydrophobicContact CB-SD 4.43Å; V460-M521 HydrophobicContact CG1-CG 3.97Å; V460-M521 HydrophobicContact CG1-SD 3.57Å; V460-M521 VanDerWaalsContact CG1-SD 3.57Å; V460-M521 HydrophobicContact CG2-CG 3.93Å; V460-M521 HydrophobicContact CG2-SD 4.21Å; R465-M521 WeakPolarHBondContact O-CE 3.33Å; A517-M521 WeakPolarHBondContact O-CB 3.27Å; A517-M521 VanDerWaalsContact O-CG 3.26Å; A517-M521 WeakPolarHBondContact O-CG 3.48Å; A517-M521 PolarHBondContact O-N 2.96Å; F518-M521 CarbonylContact O-C 3.56Å; F518-M521 PolarHBondContact O-N 3.29Å; I519-M521 VanDerWaalsContact C-N 3.32Å; I519-M521 PolarHBondContact O-N 3.02Å; M521-Y523 HydrophobicContact CB-CD1 4.44Å; M521-Y523 HydrophobicContact CB-CD2 3.62Å; M521-Y523 HydrophobicContact CB-CE1 4.43Å; M521-Y523 HydrophobicContact CB-CE2 3.63Å; M521-Y523 HydrophobicContact CB-CG 4.04Å; M521-Y523 HydrophobicContact CE-CE2 3.75Å; M521-Y523 WeakPolarHBondContact CE-OH 3.43Å; M521-Y523 HydrophobicContact CG-CD2 4.48Å; M521-Y523 HydrophobicContact CG-CE2 4.24Å; M521-Y523 WeakPolarHBondContact O-CE1 3.38Å; M521-L533 HydrophobicContact CG-CD2 4.03Å
522R96.5Very high97.2Very high66 Ų6632.8 Ų32.825%0.24917%0.165CC..THydrogen-bonded Turntrans65.933.9-175.1-44.8-59.5-117.5168.2-5.2114.1F518 I519 L520 D650F518-R522 PolarHBondContact O-N 2.99Å; I519-R522 WeakPolarHBondContact O-CA 3.3Å; I519-R522 VanDerWaalsContact O-CD 3.27Å; I519-R522 WeakPolarHBondContact O-CD 3.38Å; I519-R522 PolarHBondContact O-N 3.36Å; L520-R522 PolarHBondContact O-N 2.8Å; R522-D650 IonicContact CZ-OD1 3.59Å; R522-D650 VanDerWaalsContact CZ-OD1 3.25Å; R522-D650 IonicContact CZ-OD2 3.39Å; R522-D650 IonicContact NH1-OD1 3.17Å; R522-D650 PolarHBondContact NH1-OD1 3.2Å; R522-D650 IonicContact NH1-OD2 3.83Å; R522-D650 PolarHBondContact NH1-OD2 3.43Å; R522-D650 IonicContact NH2-OD1 2.74Å; R522-D650 PolarHBondContact NH2-OD1 2.98Å; R522-D650 IonicContact NH2-OD2 3.59Å
523Y97.2Very high97.2Very high62 Ų6233.1 Ų33.124%0.24317%0.167CC..  trans-100.9117.3175.7-56.8-25.2000110F518 M521 E529 L533 L685F518-Y523 PolarHBondContact O-N 3.38Å; M521-Y523 HydrophobicContact CB-CD1 4.44Å; M521-Y523 HydrophobicContact CB-CD2 3.62Å; M521-Y523 HydrophobicContact CB-CE1 4.43Å; M521-Y523 HydrophobicContact CB-CE2 3.63Å; M521-Y523 HydrophobicContact CB-CG 4.04Å; M521-Y523 HydrophobicContact CE-CE2 3.75Å; M521-Y523 WeakPolarHBondContact CE-OH 3.43Å; M521-Y523 HydrophobicContact CG-CD2 4.48Å; M521-Y523 HydrophobicContact CG-CE2 4.24Å; M521-Y523 WeakPolarHBondContact O-CE1 3.38Å; Y523-E529 HydrophobicContact CD1-CB 3.72Å; Y523-E529 HydrophobicContact CD1-CG 4.23Å; Y523-E529 HydrophobicContact CD2-CB 3.79Å; Y523-E529 HydrophobicContact CE1-CB 3.81Å; Y523-E529 HydrophobicContact CE1-CG 4.08Å; Y523-E529 HydrophobicContact CE2-CB 3.85Å; Y523-E529 HydrophobicContact CG-CB 3.73Å; Y523-L533 HydrophobicContact CD2-CD2 4.08Å; Y523-L533 HydrophobicContact CE2-CD2 4.11Å; Y523-L685 VanDerWaalsContact C-CD1 3.47Å; Y523-L685 WeakPolarHBondContact O-CD1 3.47Å
524P97.2Very high97.3Very high31 Ų3133.1 Ų33.120%0.20117%0.167CC..  trans-54.1144165.1-24.234.3000110.1E526 S527 A530 E684P524-E526 PolarHBondContact O-N 3.08Å; P524-S527 VanDerWaalsContact O-CB 3.31Å; P524-S527 WeakPolarHBondContact O-CB 3.22Å; P524-S527 PolarHBondContact O-N 3.18Å; P524-S527 PolarHBondContact O-OG 2.93Å; P524-A530 WeakPolarHBondContact O-CB 3.12Å; P524-E684 HydrophobicContact CG-CB 4.45Å
525F96.8Very high97.3Very high18 Ų1837.1 Ų37.18%0.07918%0.182CC..THydrogen-bonded Turntrans-57.7-29.9-173.8-153.8-78.1000113.2L514 A515 F518 A625 I692 I697 M700L514-F525 HydrophobicContact CD2-CZ 4.42Å; A515-F525 HydrophobicContact CB-CE2 4.27Å; F518-F525 AromaticContact CD2-CD2 3.6Å; F518-F525 HydrophobicContact CD2-CD2 3.6Å; F518-F525 AromaticContact CD2-CE2 3.79Å; F518-F525 HydrophobicContact CD2-CE2 3.79Å; F518-F525 HydrophobicContact CD2-CG 4.11Å; F518-F525 HydrophobicContact CD2-CZ 4.45Å; F518-F525 HydrophobicContact CE2-CD1 4.48Å; F518-F525 AromaticContact CE2-CD2 3.96Å; F518-F525 HydrophobicContact CE2-CD2 3.96Å; F518-F525 HydrophobicContact CE2-CE1 4.34Å; F518-F525 AromaticContact CE2-CE2 3.8Å; F518-F525 HydrophobicContact CE2-CE2 3.8Å; F518-F525 HydrophobicContact CE2-CG 4.3Å; F518-F525 HydrophobicContact CE2-CZ 4Å; F525-A625 HydrophobicContact CD2-CB 3.8Å; F525-A625 HydrophobicContact CE2-CB 3.76Å; F525-A625 HydrophobicContact CG-CB 4.27Å; F525-A625 HydrophobicContact CZ-CB 4.18Å; F525-I692 HydrophobicContact CB-CD1 3.72Å; F525-I692 HydrophobicContact CD1-CD1 4.33Å; F525-I692 HydrophobicContact CG-CD1 4.01Å; F525-I697 HydrophobicContact CD1-CD1 4.03Å; F525-I697 HydrophobicContact CE1-CD1 3.59Å; F525-I697 HydrophobicContact CZ-CD1 4.37Å; F525-M700 HydrophobicContact CD1-CE 4.43Å; F525-M700 HydrophobicContact CD1-SD 3.69Å; F525-M700 HydrophobicContact CE1-CE 4.15Å; F525-M700 HydrophobicContact CE1-SD 3.47Å; F525-M700 WeakPolarHBondContact CE1-SD 3.42Å; F525-M700 HydrophobicContact CZ-SD 4.49Å
526E96.3Very high97.3Very high73 Ų7338.4 Ų38.434%0.34119%0.188SC..THydrogen-bonded Turntrans-89.30.2179.270.1-166.792.800114.6P524 K687 V696P524-E526 PolarHBondContact O-N 3.08Å; E526-K687 VanDerWaalsContact OE1-CD 3.23Å; E526-K687 WeakPolarHBondContact OE1-CD 3.46Å; E526-K687 WeakPolarHBondContact OE1-CE 3.2Å; E526-K687 IonicContact OE1-NZ 3.65Å; E526-K687 PolarHBondContact OE1-NZ 3.47Å; E526-K687 IonicContact OE2-NZ 2.65Å; E526-K687 PolarHBondContact OE2-NZ 3.4Å; E526-V696 HydrophobicContact CB-CG1 4.11Å; E526-V696 HydrophobicContact CB-CG2 4.43Å
527S97Very high97.4Very high18 Ų1838.3 Ų38.313%0.12619%0.187CC..SBendtrans-76.8151.9-174.594.70000112.2P524 E529 A530 F531P524-S527 VanDerWaalsContact O-CB 3.31Å; P524-S527 WeakPolarHBondContact O-CB 3.22Å; P524-S527 PolarHBondContact O-N 3.18Å; P524-S527 PolarHBondContact O-OG 2.93Å; S527-E529 WeakPolarHBondContact CB-OE2 3.15Å; S527-E529 PolarHBondContact O-N 3.31Å; S527-E529 PolarHBondContact OG-N 2.83Å; S527-E529 PolarHBondContact OG-OE2 3.32Å; S527-A530 WeakPolarHBondContact O-CB 3.24Å; S527-A530 PolarHBondContact O-N 3.04Å; S527-A530 PolarHBondContact OG-N 3.3Å; S527-F531 WeakPolarHBondContact O-CD2 3.37Å; S527-F531 PolarHBondContact O-N 3.23Å; S527-F531 VanDerWaalsContact O-N 3.09Å
528A97.4Very high97.4Very high77 Ų7738.3 Ų38.364%0.63619%0.187SC*.Hα-helixtrans-59.2-32.3178.700000112.2F531 K532A528-F531 PolarHBondContact O-N 2.92Å; A528-K532 PolarHBondContact O-N 3.44Å
529E97.1Very high97.5Very high100 Ų10038.2 Ų38.247%0.46719%0.187SC..Hα-helixtrans-65.4-41.6174.6-55.980-177.300111.8Y523 S527 K532 L533Y523-E529 HydrophobicContact CD1-CB 3.72Å; Y523-E529 HydrophobicContact CD1-CG 4.23Å; Y523-E529 HydrophobicContact CD2-CB 3.79Å; Y523-E529 HydrophobicContact CE1-CB 3.81Å; Y523-E529 HydrophobicContact CE1-CG 4.08Å; Y523-E529 HydrophobicContact CE2-CB 3.85Å; Y523-E529 HydrophobicContact CG-CB 3.73Å; S527-E529 WeakPolarHBondContact CB-OE2 3.15Å; S527-E529 PolarHBondContact O-N 3.31Å; S527-E529 PolarHBondContact OG-N 2.83Å; S527-E529 PolarHBondContact OG-OE2 3.32Å; E529-K532 PolarHBondContact O-N 3.44Å; E529-L533 VanDerWaalsContact O-CB 3.31Å; E529-L533 WeakPolarHBondContact O-CB 3.36Å; E529-L533 PolarHBondContact O-N 2.93Å
530A97.8Very high97.5Very high0 Ų037.7 Ų37.70%018%0.184CC..Hα-helixtrans-65-39.417500000111.8F518 P524 S527 L533 N534 M700F518-A530 HydrophobicContact CD1-CB 4.27Å; F518-A530 HydrophobicContact CD2-CB 4.19Å; F518-A530 HydrophobicContact CE1-CB 4.23Å; F518-A530 HydrophobicContact CE2-CB 4.16Å; F518-A530 HydrophobicContact CG-CB 4.26Å; F518-A530 HydrophobicContact CZ-CB 4.18Å; P524-A530 WeakPolarHBondContact O-CB 3.12Å; S527-A530 WeakPolarHBondContact O-CB 3.24Å; S527-A530 PolarHBondContact O-N 3.04Å; S527-A530 PolarHBondContact OG-N 3.3Å; A530-L533 PolarHBondContact O-N 2.88Å; A530-N534 WeakPolarHBondContact O-CB 3.49Å; A530-N534 PolarHBondContact O-N 3.07Å; A530-M700 HydrophobicContact CB-CE 4.44Å
531F97.8Very high97.7Very high42 Ų4235.8 Ų35.818%0.18417%0.174CC..Hα-helixtrans-60.4-47.7172.5-89-97.1000112.2S527 A528 N534 R535 V696 D699 M700S527-F531 WeakPolarHBondContact O-CD2 3.37Å; S527-F531 PolarHBondContact O-N 3.23Å; S527-F531 VanDerWaalsContact O-N 3.09Å; A528-F531 PolarHBondContact O-N 2.92Å; F531-N534 WeakPolarHBondContact O-CB 3.46Å; F531-N534 PolarHBondContact O-N 2.81Å; F531-R535 PolarHBondContact O-N 3.28Å; F531-R535 VanDerWaalsContact O-N 3.11Å; F531-V696 HydrophobicContact CE2-CG1 3.79Å; F531-V696 HydrophobicContact CZ-CG1 3.83Å; F531-D699 HydrophobicContact CE1-CB 3.76Å; F531-D699 HydrophobicContact CZ-CB 4.13Å; F531-M700 HydrophobicContact CD1-CG 3.79Å; F531-M700 HydrophobicContact CD2-CG 4.21Å; F531-M700 HydrophobicContact CE1-CB 4.46Å; F531-M700 HydrophobicContact CE1-CG 3.48Å; F531-M700 VanDerWaalsContact CE1-CG 3.48Å; F531-M700 HydrophobicContact CE2-CG 3.94Å; F531-M700 HydrophobicContact CE2-SD 4.31Å; F531-M700 HydrophobicContact CG-CG 4.15Å; F531-M700 HydrophobicContact CZ-CG 3.57Å; F531-M700 HydrophobicContact CZ-SD 4.45Å
532K97.3Very high97.7Very high131 Ų13135.7 Ų35.757%0.5717%0.173SC*.Hα-helixtrans-61.6-48177.5-175.9179.5177.8179.50111.3A528 E529 N534 R535 Q536A528-K532 PolarHBondContact O-N 3.44Å; E529-K532 PolarHBondContact O-N 3.44Å; K532-N534 PolarHBondContact O-N 3.09Å; K532-R535 WeakPolarHBondContact O-CB 3.42Å; K532-R535 PolarHBondContact O-N 2.84Å; K532-Q536 HydrophobicContact CG-CG 4.49Å; K532-Q536 WeakPolarHBondContact O-CG 3.27Å; K532-Q536 PolarHBondContact O-N 3.28Å
533L97.9Very high97.8Very high6 Ų633 Ų333%0.03116%0.163CC..Hα-helixtrans-63.7-41179.8-179.158.1000111.7Y467 F469 F518 M521 Y523 E529 A530 R535 Q536 I537Y467-L533 HydrophobicContact CD1-CD1 4.35Å; Y467-L533 HydrophobicContact CD2-CD1 3.86Å; Y467-L533 HydrophobicContact CD2-CD2 4.27Å; Y467-L533 HydrophobicContact CE2-CD1 4.43Å; Y467-L533 HydrophobicContact CG-CD1 3.81Å; F469-L533 HydrophobicContact CE1-CD1 4.09Å; F469-L533 HydrophobicContact CZ-CD1 3.69Å; F518-L533 HydrophobicContact CD1-CD2 3.96Å; F518-L533 HydrophobicContact CE1-CB 4.32Å; F518-L533 HydrophobicContact CE1-CD2 4.1Å; F518-L533 HydrophobicContact CE1-CG 4.22Å; M521-L533 HydrophobicContact CG-CD2 4.03Å; Y523-L533 HydrophobicContact CD2-CD2 4.08Å; Y523-L533 HydrophobicContact CE2-CD2 4.11Å; E529-L533 VanDerWaalsContact O-CB 3.31Å; E529-L533 WeakPolarHBondContact O-CB 3.36Å; E529-L533 PolarHBondContact O-N 2.93Å; A530-L533 PolarHBondContact O-N 2.88Å; L533-R535 VanDerWaalsContact C-N 3.33Å; L533-R535 PolarHBondContact O-N 3.26Å; L533-Q536 PolarHBondContact O-N 2.96Å; L533-I537 HydrophobicContact CD1-CD1 3.9Å; L533-I537 HydrophobicContact CD1-CG1 3.94Å; L533-I537 HydrophobicContact CD2-CD1 4.49Å; L533-I537 HydrophobicContact CG-CD1 3.79Å; L533-I537 HydrophobicContact CG-CG1 4.29Å; L533-I537 WeakPolarHBondContact O-CB 3.5Å; L533-I537 VanDerWaalsContact O-CG1 3.27Å; L533-I537 WeakPolarHBondContact O-CG1 3.38Å; L533-I537 PolarHBondContact O-N 2.95Å
534N98.4Very high97.9Very high0 Ų030.1 Ų30.10%015%0.152CC..Hα-helixtrans-53.4-50.3172.417578.2000110.9F518 A530 F531 K532 F538 M700 R704F518-N534 HydrophobicContact CZ-CB 4.15Å; A530-N534 WeakPolarHBondContact O-CB 3.49Å; A530-N534 PolarHBondContact O-N 3.07Å; F531-N534 WeakPolarHBondContact O-CB 3.46Å; F531-N534 PolarHBondContact O-N 2.81Å; K532-N534 PolarHBondContact O-N 3.09Å; N534-F538 VanDerWaalsContact O-CD2 3.32Å; N534-F538 WeakPolarHBondContact O-CD2 3.36Å; N534-F538 PolarHBondContact O-N 3.23Å; N534-M700 HydrophobicContact CB-CE 3.68Å; N534-M700 PolarHBondContact ND2-O 3.44Å; N534-R704 PolarHBondContact OD1-NE 2.71Å; N534-R704 PolarHBondContact OD1-NH2 3.1Å
535R97.6Very high98Very high85 Ų8528.6 Ų28.632%0.32114%0.142SC..Hα-helixtrans-60.4-50.6178.4-167.8179.6-60.1-178.30.6111.9F531 K532 L533 I537 F538 E539 D703 F707F531-R535 PolarHBondContact O-N 3.28Å; F531-R535 VanDerWaalsContact O-N 3.11Å; K532-R535 WeakPolarHBondContact O-CB 3.42Å; K532-R535 PolarHBondContact O-N 2.84Å; L533-R535 VanDerWaalsContact C-N 3.33Å; L533-R535 PolarHBondContact O-N 3.26Å; R535-I537 PolarHBondContact O-N 2.86Å; R535-F538 PolarHBondContact O-N 2.85Å; R535-E539 VanDerWaalsContact O-CB 3.23Å; R535-E539 WeakPolarHBondContact O-CB 3.37Å; R535-E539 PolarHBondContact O-N 3.26Å; R535-D703 IonicContact CZ-OD2 2.97Å; R535-D703 IonicContact NE-OD2 2.88Å; R535-D703 IonicContact NH2-OD1 3.45Å; R535-D703 IonicContact NH2-OD2 3.42Å; R535-D703 PolarHBondContact NH2-OD2 3.17Å; R535-F707 HydrophobicContact CG-CE2 3.76Å; R535-F707 HydrophobicContact CG-CZ 4.46Å
536Q98.2Very high98.1Very high31 Ų3127.9 Ų27.915%0.14514%0.139CC..Hα-helixtrans-64.2-35.9-176.2-69.5178.4-49.100113.3F469 K532 L533 T540 L584F469-Q536 HydrophobicContact CD1-CB 4.44Å; F469-Q536 HydrophobicContact CE1-CB 3.52Å; F469-Q536 HydrophobicContact CZ-CB 3.63Å; F469-Q536 HydrophobicContact CZ-CG 4.46Å; K532-Q536 HydrophobicContact CG-CG 4.49Å; K532-Q536 WeakPolarHBondContact O-CG 3.27Å; K532-Q536 PolarHBondContact O-N 3.28Å; L533-Q536 PolarHBondContact O-N 2.96Å; Q536-T540 WeakPolarHBondContact O-CB 3.39Å; Q536-T540 PolarHBondContact O-N 3.45Å; Q536-T540 PolarHBondContact O-OG1 3.31Å; Q536-L584 HydrophobicContact CB-CD2 4.07Å; Q536-L584 HydrophobicContact CG-CD2 4.29Å
537I98.7Very high98.2Very high0 Ų026.3 Ų26.30%013%0.132CC..Hα-helixtrans-61.5-52.8175.6-74.2170.5000110.3L456 Y467 F469 L472 L514 L533 R535 T540 I541L456-I537 HydrophobicContact CD1-CD1 4.37Å; L456-I537 HydrophobicContact CD1-CG2 4.17Å; L456-I537 HydrophobicContact CD2-CG2 3.62Å; Y467-I537 HydrophobicContact CE1-CD1 4.41Å; Y467-I537 HydrophobicContact CE1-CG1 3.94Å; Y467-I537 HydrophobicContact CE2-CD1 3.86Å; Y467-I537 HydrophobicContact CE2-CG1 4.29Å; F469-I537 HydrophobicContact CE1-CG1 4.28Å; L472-I537 HydrophobicContact CD2-CB 4.48Å; L472-I537 HydrophobicContact CD2-CG1 4.5Å; L472-I537 HydrophobicContact CD2-CG2 4.18Å; L514-I537 HydrophobicContact CD1-CD1 4.32Å; L533-I537 HydrophobicContact CD1-CD1 3.9Å; L533-I537 HydrophobicContact CD1-CG1 3.94Å; L533-I537 HydrophobicContact CD2-CD1 4.49Å; L533-I537 HydrophobicContact CG-CD1 3.79Å; L533-I537 HydrophobicContact CG-CG1 4.29Å; L533-I537 WeakPolarHBondContact O-CB 3.5Å; L533-I537 VanDerWaalsContact O-CG1 3.27Å; L533-I537 WeakPolarHBondContact O-CG1 3.38Å; L533-I537 PolarHBondContact O-N 2.95Å; R535-I537 PolarHBondContact O-N 2.86Å; I537-T540 PolarHBondContact O-N 2.99Å; I537-I541 HydrophobicContact CG2-CD1 3.83Å; I537-I541 WeakPolarHBondContact O-CG1 3.23Å; I537-I541 PolarHBondContact O-N 3.04Å
538F98.7Very high98.3Very high1 Ų125.4 Ų25.40%0.00413%0.126CC..Hα-helixtrans-71.5-34.3-177-78.4-82.2000112.5V511 N534 R535 T540 I541 Y542 P607 I623 R704 F707 I708V511-F538 HydrophobicContact CG1-CE1 4.14Å; V511-F538 HydrophobicContact CG1-CZ 4.11Å; V511-F538 HydrophobicContact CG2-CE1 4.31Å; V511-F538 HydrophobicContact CG2-CZ 3.66Å; N534-F538 VanDerWaalsContact O-CD2 3.32Å; N534-F538 WeakPolarHBondContact O-CD2 3.36Å; N534-F538 PolarHBondContact O-N 3.23Å; R535-F538 PolarHBondContact O-N 2.85Å; F538-T540 VanDerWaalsContact C-N 3.34Å; F538-T540 PolarHBondContact O-N 3.27Å; F538-I541 PolarHBondContact O-N 3.19Å; F538-Y542 WeakPolarHBondContact O-CB 3.13Å; F538-Y542 PolarHBondContact O-N 3.4Å; F538-P607 HydrophobicContact CE1-CG 3.61Å; F538-P607 HydrophobicContact CZ-CG 4.19Å; F538-I623 HydrophobicContact CE2-CG2 4.31Å; F538-I623 HydrophobicContact CZ-CG2 3.76Å; F538-R704 HydrophobicContact CB-CB 3.99Å; F538-R704 HydrophobicContact CD1-CB 4.25Å; F538-R704 HydrophobicContact CD2-CB 3.46Å; F538-R704 VanDerWaalsContact CD2-CB 3.46Å; F538-R704 HydrophobicContact CD2-CG 4.31Å; F538-R704 HydrophobicContact CE2-CB 3.98Å; F538-R704 VanDerWaalsContact CE2-CD 3.5Å; F538-R704 HydrophobicContact CE2-CG 4.36Å; F538-R704 HydrophobicContact CG-CB 3.63Å; F538-F707 HydrophobicContact CB-CB 4.16Å; F538-I708 HydrophobicContact CD1-CD1 4.09Å; F538-I708 HydrophobicContact CD1-CG1 4.09Å; F538-I708 HydrophobicContact CE1-CD1 4.1Å; F538-I708 HydrophobicContact CE1-CG1 4.45Å
539E98.4Very high98.3Very high0 Ų021.8 Ų21.80%010%0.095CC..Hα-helixtrans-57.7-46.8170.5-172.7176.1170.100111.4R535 Y542 H543 P581 T582 W587 F707R535-E539 VanDerWaalsContact O-CB 3.23Å; R535-E539 WeakPolarHBondContact O-CB 3.37Å; R535-E539 PolarHBondContact O-N 3.26Å; E539-Y542 PolarHBondContact O-N 2.85Å; E539-H543 WeakPolarHBondContact O-CB 3.41Å; E539-H543 PolarHBondContact O-N 3.44Å; E539-P581 WeakPolarHBondContact OE1-CB 3.37Å; E539-T582 PolarHBondContact OE1-N 3.44Å; E539-T582 PolarHBondContact OE1-OG1 2.85Å; E539-T582 WeakPolarHBondContact OE2-CB 3.42Å; E539-T582 WeakPolarHBondContact OE2-CG2 3.33Å; E539-T582 PolarHBondContact OE2-N 2.92Å; E539-T582 PolarHBondContact OE2-OG1 3.24Å; E539-W587 HydrophobicContact CG-CZ2 3.61Å; E539-W587 PolarHBondContact OE1-NE1 3.35Å; E539-F707 HydrophobicContact CB-CD1 4.08Å; E539-F707 HydrophobicContact CB-CD2 4.36Å; E539-F707 HydrophobicContact CB-CE1 3.95Å; E539-F707 HydrophobicContact CB-CE2 4.25Å; E539-F707 HydrophobicContact CB-CG 4.28Å; E539-F707 HydrophobicContact CB-CZ 4.04Å; E539-F707 HydrophobicContact CG-CD1 4.09Å; E539-F707 HydrophobicContact CG-CE1 3.65Å; E539-F707 HydrophobicContact CG-CZ 3.97Å
540T98.8Very high98.4Very high0 Ų017.3 Ų17.30%08%0.075CC..Hα-helixtrans-63.8-45.6177.8-59.40000112.4F469 L472 H473 Q536 I537 F538 Y542 H543 A544 W585F469-T540 HydrophobicContact CB-CG2 4.5Å; F469-T540 WeakPolarHBondContact CD1-OG1 3.41Å; F469-T540 WeakPolarHBondContact O-CG2 3.38Å; L472-T540 HydrophobicContact CB-CG2 4.22Å; L472-T540 HydrophobicContact CD2-CG2 3.88Å; L472-T540 HydrophobicContact CG-CG2 3.94Å; H473-T540 HydrophobicContact CB-CG2 3.89Å; Q536-T540 WeakPolarHBondContact O-CB 3.39Å; Q536-T540 PolarHBondContact O-N 3.45Å; Q536-T540 PolarHBondContact O-OG1 3.31Å; I537-T540 PolarHBondContact O-N 2.99Å; F538-T540 VanDerWaalsContact C-N 3.34Å; F538-T540 PolarHBondContact O-N 3.27Å; T540-Y542 PolarHBondContact O-N 3Å; T540-H543 PolarHBondContact O-N 3.34Å; T540-A544 WeakPolarHBondContact O-CB 3.46Å; T540-A544 PolarHBondContact O-N 2.89Å; T540-W585 HydrophobicContact CG2-CZ2 3.73Å; T540-W585 PolarHBondContact OG1-NE1 2.92Å
541I98.8Very high98.4Very high1 Ų120.1 Ų20.11%0.0059%0.088CC..Hα-helixtrans-61-47.1179-69.1166.4000110.1I454 L472 T476 I509 V511 I537 F538 A545 V605I454-I541 HydrophobicContact CD1-CD1 3.97Å; I454-I541 HydrophobicContact CD1-CG1 3.9Å; I454-I541 HydrophobicContact CD1-CG2 4.41Å; L472-I541 HydrophobicContact CD1-CD1 4.42Å; L472-I541 HydrophobicContact CD1-CG1 4.04Å; L472-I541 HydrophobicContact CD2-CG1 4.18Å; L472-I541 HydrophobicContact CG-CG1 4.25Å; T476-I541 HydrophobicContact CG2-CG2 4.07Å; I509-I541 HydrophobicContact CG2-CG2 3.96Å; V511-I541 HydrophobicContact CG1-CD1 3.53Å; I537-I541 HydrophobicContact CG2-CD1 3.83Å; I537-I541 WeakPolarHBondContact O-CG1 3.23Å; I537-I541 PolarHBondContact O-N 3.04Å; F538-I541 PolarHBondContact O-N 3.19Å; I541-A545 WeakPolarHBondContact O-CB 3.31Å; I541-A545 PolarHBondContact O-N 3.08Å; I541-V605 HydrophobicContact CG2-CG1 4.44Å; I541-V605 HydrophobicContact CG2-CG2 4.11Å
542Y98.8Very high98.4Very high7 Ų718.7 Ų18.73%0.0278%0.083CC..Hα-helixtrans-65.9-42.4-179.2-173-128000112.1F538 E539 T540 A545 L546 L572 Q573 Y574 W587 L604 V605 F707 D709F538-Y542 WeakPolarHBondContact O-CB 3.13Å; F538-Y542 PolarHBondContact O-N 3.4Å; E539-Y542 PolarHBondContact O-N 2.85Å; T540-Y542 PolarHBondContact O-N 3Å; Y542-A545 PolarHBondContact O-N 2.85Å; Y542-L546 HydrophobicContact CD1-CD1 3.99Å; Y542-L546 HydrophobicContact CD2-CD1 4.26Å; Y542-L546 HydrophobicContact CD2-CG 4.32Å; Y542-L546 HydrophobicContact CE1-CD1 3.53Å; Y542-L546 HydrophobicContact CE2-CD1 3.85Å; Y542-L546 HydrophobicContact CE2-CD2 4.39Å; Y542-L546 HydrophobicContact CE2-CG 3.96Å; Y542-L546 HydrophobicContact CG-CD1 4.31Å; Y542-L546 VanDerWaalsContact CZ-CD1 3.45Å; Y542-L546 WeakPolarHBondContact O-CB 3.47Å; Y542-L546 WeakPolarHBondContact O-CG 3.29Å; Y542-L546 PolarHBondContact O-N 3.08Å; Y542-L572 HydrophobicContact CE1-CB 4.38Å; Y542-Q573 HydrophobicContact CE1-CB 3.84Å; Y542-Q573 HydrophobicContact CE2-CB 4.43Å; Y542-Q573 PolarHBondContact OH-N 2.93Å; Y542-Y574 HydrophobicContact CE1-CD1 4.24Å; Y542-Y574 HydrophobicContact CE1-CE1 4.44Å; Y542-W587 AromaticContact CD1-CH2 3.62Å; Y542-W587 HydrophobicContact CD1-CH2 3.62Å; Y542-W587 HydrophobicContact CD1-CZ3 4.02Å; Y542-W587 HydrophobicContact CE1-CH2 4.3Å; Y542-W587 HydrophobicContact CE1-CZ3 4.27Å; Y542-W587 HydrophobicContact CG-CH2 4.4Å; Y542-L604 HydrophobicContact CE2-CD1 4.48Å; Y542-V605 HydrophobicContact CD2-CG2 3.96Å; Y542-F707 WeakPolarHBondContact CB-O 3.31Å; Y542-F707 HydrophobicContact CD1-CB 4.33Å; Y542-F707 HydrophobicContact CD1-CD1 4.2Å; Y542-F707 HydrophobicContact CG-CB 4.35Å; Y542-D709 HydrophobicContact CE2-CB 4.29Å
543H98.7Very high98.5Very high11 Ų1112.6 Ų12.65%0.0516%0.057CC..Hα-helixtrans-59.9-52.2176-175.6-77.6000111.6H473 E539 T540 A545 L546 E547 W585 W587H473-H543 AromaticContact CD2-ND1 3.75Å; H473-H543 AromaticContact NE2-CE1 3.91Å; H473-H543 AromaticContact NE2-ND1 3.3Å; H473-H543 PolarHBondContact NE2-ND1 3.46Å; E539-H543 WeakPolarHBondContact O-CB 3.41Å; E539-H543 PolarHBondContact O-N 3.44Å; T540-H543 PolarHBondContact O-N 3.34Å; H543-A545 VanDerWaalsContact C-N 3.28Å; H543-A545 PolarHBondContact O-N 3Å; H543-L546 PolarHBondContact O-N 2.76Å; H543-E547 IonicContact CE1-OE2 3.17Å; H543-E547 PolarHBondContact CE1-OE2 2.91Å; H543-E547 IonicContact ND1-OE2 3.42Å; H543-E547 WeakPolarHBondContact O-CB 3.33Å; H543-E547 PolarHBondContact O-N 3.3Å; H543-W585 HydrophobicContact CB-CB 4.36Å; H543-W585 HydrophobicContact CB-CG 4.22Å; H543-W585 VanDerWaalsContact CD2-CB 3.42Å; H543-W585 WeakPolarHBondContact CD2-CB 3.44Å; H543-W585 AromaticContact CG-CG 3.88Å; H543-W587 HydrophobicContact CB-CH2 3.67Å; H543-W587 HydrophobicContact CB-CZ2 3.84Å; H543-W587 HydrophobicContact CB-CZ3 4.29Å
544A98.7Very high98.5Very high0 Ų018.4 Ų18.40%08%0.082CC..Hα-helixtrans-60.8-37.5179.100000112.7H473 T476 K477 T540 T548H473-A544 HydrophobicContact CB-CB 4.15Å; T476-A544 HydrophobicContact CG2-CB 3.85Å; K477-A544 HydrophobicContact CG-CB 4.39Å; T540-A544 WeakPolarHBondContact O-CB 3.46Å; T540-A544 PolarHBondContact O-N 2.89Å; A544-T548 WeakPolarHBondContact O-CB 3.35Å; A544-T548 PolarHBondContact O-N 2.82Å; A544-T548 PolarHBondContact O-OG1 3.32Å
545A98.7Very high98.4Very high0 Ų023.6 Ų23.60%011%0.11CC..Hα-helixtrans-66.3-46.5178.200000112.2T476 V480 I509 I541 Y542 H543 S549 L604T476-A545 HydrophobicContact CG2-CB 4.32Å; V480-A545 HydrophobicContact CG2-CB 3.91Å; I509-A545 HydrophobicContact CD1-CB 4.1Å; I541-A545 WeakPolarHBondContact O-CB 3.31Å; I541-A545 PolarHBondContact O-N 3.08Å; Y542-A545 PolarHBondContact O-N 2.85Å; H543-A545 VanDerWaalsContact C-N 3.28Å; H543-A545 PolarHBondContact O-N 3Å; A545-S549 WeakPolarHBondContact O-CB 3.42Å; A545-S549 PolarHBondContact O-N 2.75Å; A545-L604 HydrophobicContact CB-CB 4.02Å; A545-L604 HydrophobicContact CB-CD1 3.91Å; A545-L604 HydrophobicContact CB-CD2 4.26Å; A545-L604 HydrophobicContact CB-CG 4.3Å
546L98.6Very high98.4Very high3 Ų326 Ų262%0.01612%0.122CC..Hα-helixtrans-64.6-45175.9-79.8171.8000112.4Y542 H543 T548 S549 C550 I567 L572 W587 L590 I594 V599 L604Y542-L546 HydrophobicContact CD1-CD1 3.99Å; Y542-L546 HydrophobicContact CD2-CD1 4.26Å; Y542-L546 HydrophobicContact CD2-CG 4.32Å; Y542-L546 HydrophobicContact CE1-CD1 3.53Å; Y542-L546 HydrophobicContact CE2-CD1 3.85Å; Y542-L546 HydrophobicContact CE2-CD2 4.39Å; Y542-L546 HydrophobicContact CE2-CG 3.96Å; Y542-L546 HydrophobicContact CG-CD1 4.31Å; Y542-L546 VanDerWaalsContact CZ-CD1 3.45Å; Y542-L546 WeakPolarHBondContact O-CB 3.47Å; Y542-L546 WeakPolarHBondContact O-CG 3.29Å; Y542-L546 PolarHBondContact O-N 3.08Å; H543-L546 PolarHBondContact O-N 2.76Å; L546-T548 VanDerWaalsContact C-N 3.34Å; L546-T548 PolarHBondContact O-N 3.13Å; L546-S549 PolarHBondContact O-N 2.96Å; L546-C550 WeakPolarHBondContact O-CB 3.39Å; L546-C550 PolarHBondContact O-N 3.46Å; L546-I567 HydrophobicContact CD2-CD1 3.37Å; L546-L572 HydrophobicContact CD1-CD1 3.97Å; L546-L572 HydrophobicContact CD1-CD2 4.05Å; L546-L572 HydrophobicContact CD2-CD2 4.42Å; L546-W587 HydrophobicContact CD1-CZ3 3.95Å; L546-L590 HydrophobicContact CB-CD1 4.43Å; L546-L590 HydrophobicContact CB-CD2 3.85Å; L546-L590 HydrophobicContact CD1-CD2 4.19Å; L546-I594 HydrophobicContact CB-CD1 4.35Å; L546-I594 HydrophobicContact CD2-CD1 4.22Å; L546-V599 HydrophobicContact CD2-CG1 4.49Å; L546-L604 HydrophobicContact CB-CD1 4.36Å; L546-L604 HydrophobicContact CD2-CD1 3.6Å; L546-L604 HydrophobicContact CG-CD1 3.74Å
547E98.6Very high98.3Very high39 Ų3925.8 Ų25.818%0.18213%0.128CC..Hα-helixtrans-57.6-48.7178.5-174.5-174.3146.900110.8H473 K477 H543 C550 E551 L590H473-E547 IonicContact CE1-OE1 3.64Å; H473-E547 IonicContact CE1-OE2 3.28Å; H473-E547 PolarHBondContact CE1-OE2 2.88Å; H473-E547 IonicContact NE2-OE2 3.74Å; H473-E547 PolarHBondContact NE2-OE2 3.41Å; K477-E547 IonicContact NZ-OE1 3.93Å; K477-E547 PolarHBondContact NZ-OE1 3.29Å; H543-E547 IonicContact CE1-OE2 3.17Å; H543-E547 PolarHBondContact CE1-OE2 2.91Å; H543-E547 IonicContact ND1-OE2 3.42Å; H543-E547 WeakPolarHBondContact O-CB 3.33Å; H543-E547 PolarHBondContact O-N 3.3Å; E547-C550 WeakPolarHBondContact O-CB 3.32Å; E547-C550 PolarHBondContact O-N 3.5Å; E547-E551 WeakPolarHBondContact O-CG 2.85Å; E547-E551 PolarHBondContact O-N 3.18Å; E547-L590 HydrophobicContact CB-CD1 4.03Å
548T98.6Very high98.3Very high0 Ų028.3 Ų28.30%015%0.145CC..Hα-helixtrans-70.6-36.4179.7-51.50000112.4K477 V480 R481 A544 L546 C550 E551 L552K477-T548 VanDerWaalsContact CA-OG1 3.24Å; K477-T548 WeakPolarHBondContact CA-OG1 3.32Å; K477-T548 HydrophobicContact CB-CG2 4.27Å; K477-T548 WeakPolarHBondContact CB-OG1 3.3Å; K477-T548 VanDerWaalsContact CE-OG1 3.27Å; K477-T548 WeakPolarHBondContact CE-OG1 3.37Å; K477-T548 WeakPolarHBondContact CG-OG1 3.4Å; K477-T548 WeakPolarHBondContact O-CG2 3.5Å; V480-T548 HydrophobicContact CB-CG2 3.92Å; V480-T548 HydrophobicContact CG1-CG2 3.95Å; R481-T548 HydrophobicContact CG-CG2 3.77Å; A544-T548 WeakPolarHBondContact O-CB 3.35Å; A544-T548 PolarHBondContact O-N 2.82Å; A544-T548 PolarHBondContact O-OG1 3.32Å; L546-T548 VanDerWaalsContact C-N 3.34Å; L546-T548 PolarHBondContact O-N 3.13Å; T548-C550 PolarHBondContact O-N 2.95Å; T548-E551 WeakPolarHBondContact O-CB 3.33Å; T548-E551 PolarHBondContact O-N 2.94Å; T548-L552 HydrophobicContact CG2-CD1 4.44Å; T548-L552 VanDerWaalsContact O-CG 3.32Å; T548-L552 WeakPolarHBondContact O-CG 3.33Å; T548-L552 PolarHBondContact O-N 3.11Å
549S98.7Very high98.2Very high0 Ų028.6 Ų28.60%015%0.146CC..Hα-helixtrans-62.9-33.9173.3-168.30000111.4A545 L546 A553 R600 N601A545-S549 WeakPolarHBondContact O-CB 3.42Å; A545-S549 PolarHBondContact O-N 2.75Å; L546-S549 PolarHBondContact O-N 2.96Å; S549-A553 WeakPolarHBondContact O-CB 3.4Å; S549-A553 PolarHBondContact O-N 3.08Å; S549-R600 WeakPolarHBondContact O-CB 3.34Å; S549-R600 PolarHBondContact O-N 2.75Å; S549-R600 PolarHBondContact OG-N 3.41Å; S549-N601 PolarHBondContact OG-N 3Å; S549-N601 PolarHBondContact OG-OD1 3.39Å
550C98.6Very high98.1Very high6 Ų632.5 Ų32.54%0.04118%0.179CC..Hα-helixtrans-71.1-42.3172.8-173.10000112.3L546 E547 T548 L552 A553 K554 K593 I594 G598 V599L546-C550 WeakPolarHBondContact O-CB 3.39Å; L546-C550 PolarHBondContact O-N 3.46Å; E547-C550 WeakPolarHBondContact O-CB 3.32Å; E547-C550 PolarHBondContact O-N 3.5Å; T548-C550 PolarHBondContact O-N 2.95Å; C550-L552 VanDerWaalsContact C-N 3.33Å; C550-L552 PolarHBondContact O-N 2.91Å; C550-A553 WeakPolarHBondContact O-CB 3.33Å; C550-A553 PolarHBondContact O-N 2.75Å; C550-A553 VanDerWaalsContact O-N 3.12Å; C550-K554 PolarHBondContact O-N 2.69Å; C550-K593 VanDerWaalsContact SG-C 3.59Å; C550-K593 PolarHBondContact SG-O 3.44Å; C550-I594 HydrophobicContact CB-CG1 4.22Å; C550-G598 WeakPolarHBondContact CA-O 3.35Å; C550-G598 PolarHBondContact SG-O 2.9Å; C550-G598 VanDerWaalsContact SG-O 3.34Å; C550-V599 HydrophobicContact CB-CG1 4.34Å
551E98.4Very high98Very high59 Ų5933 Ų3328%0.27618%0.182SC..Hα-helixtrans-55.8-47.5171.5-70.8172.4-179.100111.3K477 R481 E547 T548 A553 K554 D555K477-E551 WeakPolarHBondContact CE-OE1 3.39Å; K477-E551 IonicContact NZ-OE1 3.81Å; K477-E551 PolarHBondContact NZ-OE1 3.44Å; K477-E551 IonicContact NZ-OE2 3.79Å; R481-E551 IonicContact CZ-OE2 3.37Å; R481-E551 IonicContact NH1-OE2 3.99Å; R481-E551 PolarHBondContact NH1-OE2 2.97Å; R481-E551 IonicContact NH2-OE2 2.79Å; R481-E551 PolarHBondContact NH2-OE2 3.26Å; E547-E551 WeakPolarHBondContact O-CG 2.85Å; E547-E551 PolarHBondContact O-N 3.18Å; T548-E551 WeakPolarHBondContact O-CB 3.33Å; T548-E551 PolarHBondContact O-N 2.94Å; E551-A553 VanDerWaalsContact C-N 3.3Å; E551-A553 PolarHBondContact O-N 3.43Å; E551-K554 WeakPolarHBondContact O-CB 3.26Å; E551-K554 PolarHBondContact O-N 3.41Å; E551-D555 PolarHBondContact O-N 3.37Å
552L98.3Very high97.9Very high13 Ų1333.6 Ų33.67%0.06818%0.184CC..Hα-helixtrans-65.2-33.3176.8-69.5171.1000112.4V480 R481 N484 T548 C550 D555 F556 R600V480-L552 HydrophobicContact CG1-CD1 4.16Å; R481-L552 HydrophobicContact CG-CD2 4.48Å; N484-L552 HydrophobicContact CB-CD1 3.97Å; T548-L552 HydrophobicContact CG2-CD1 4.44Å; T548-L552 VanDerWaalsContact O-CG 3.32Å; T548-L552 WeakPolarHBondContact O-CG 3.33Å; T548-L552 PolarHBondContact O-N 3.11Å; C550-L552 VanDerWaalsContact C-N 3.33Å; C550-L552 PolarHBondContact O-N 2.91Å; L552-D555 PolarHBondContact O-N 3.35Å; L552-F556 HydrophobicContact CD2-CD2 4.21Å; L552-F556 HydrophobicContact CD2-CE2 4.02Å; L552-F556 WeakPolarHBondContact O-CB 3.32Å; L552-F556 WeakPolarHBondContact O-CD2 3.45Å; L552-F556 PolarHBondContact O-N 3.49Å; L552-R600 HydrophobicContact CB-CB 3.64Å; L552-R600 HydrophobicContact CB-CG 3.91Å
553A98.3Very high97.8Very high3 Ų340.3 Ų40.33%0.02522%0.216CC..Hα-helixtrans-69.3-35.1175.700000112.2S549 C550 E551 D555 G557 Y597 G598 R600S549-A553 WeakPolarHBondContact O-CB 3.4Å; S549-A553 PolarHBondContact O-N 3.08Å; C550-A553 WeakPolarHBondContact O-CB 3.33Å; C550-A553 PolarHBondContact O-N 2.75Å; C550-A553 VanDerWaalsContact O-N 3.12Å; E551-A553 VanDerWaalsContact C-N 3.3Å; E551-A553 PolarHBondContact O-N 3.43Å; A553-D555 VanDerWaalsContact C-N 3.29Å; A553-D555 PolarHBondContact O-N 2.79Å; A553-G557 WeakPolarHBondContact CA-O 3.28Å; A553-G557 CarbonylContact O-C 3.51Å; A553-G557 WeakPolarHBondContact O-CA 3.41Å; A553-G557 PolarHBondContact O-N 3.35Å; A553-Y597 WeakPolarHBondContact CB-O 3.44Å; A553-G598 WeakPolarHBondContact CB-O 3.37Å; A553-R600 HydrophobicContact CB-CB 4.43Å
554K97.7Very high97.7Very high127 Ų12741.2 Ų41.255%0.55223%0.228SC*.Hα-helixtrans-61.1-39.6173.2-176.5-173.1174.1-164.50111.6C550 E551 Y597C550-K554 PolarHBondContact O-N 2.69Å; E551-K554 WeakPolarHBondContact O-CB 3.26Å; E551-K554 PolarHBondContact O-N 3.41Å; K554-Y597 HydrophobicContact CB-CD1 4.1Å; K554-Y597 HydrophobicContact CB-CG 4.08Å; K554-Y597 HydrophobicContact CD-CD1 4.38Å; K554-Y597 HydrophobicContact CD-CE1 4.15Å; K554-Y597 HydrophobicContact CG-CD1 3.84Å; K554-Y597 HydrophobicContact CG-CE1 3.99Å; K554-Y597 HydrophobicContact CG-CG 4.25Å
555D96.8Very high97.7Very high110 Ų11041.2 Ų41.259%0.58823%0.228SC*.Hα-helixtrans-84-37.3-176.4-64.6-19.7000113.2E551 L552 A553E551-D555 PolarHBondContact O-N 3.37Å; L552-D555 PolarHBondContact O-N 3.35Å; A553-D555 VanDerWaalsContact C-N 3.29Å; A553-D555 PolarHBondContact O-N 2.79Å
556F96.9Very high97.6Very high135 Ų13541.2 Ų41.259%0.59223%0.228SC*.Hα-helixtrans-118.6-0.2-171.5-58.4-72.8000114.7L552 R600L552-F556 HydrophobicContact CD2-CD2 4.21Å; L552-F556 HydrophobicContact CD2-CE2 4.02Å; L552-F556 WeakPolarHBondContact O-CB 3.32Å; L552-F556 WeakPolarHBondContact O-CD2 3.45Å; L552-F556 PolarHBondContact O-N 3.49Å; F556-R600 PolarHBondContact O-NH1 3.41Å
557G97.4Very high97.6Very high26 Ų2641.4 Ų41.427%0.26823%0.229SC..  trans81.8160.6-169.600000113.3A553 R600A553-G557 WeakPolarHBondContact CA-O 3.28Å; A553-G557 CarbonylContact O-C 3.51Å; A553-G557 WeakPolarHBondContact O-CA 3.41Å; A553-G557 PolarHBondContact O-N 3.35Å; G557-R600 WeakPolarHBondContact O-CD 3.43Å; G557-R600 PolarHBondContact O-NH1 3.12Å
558P97.9Very high97.5Very high53 Ų5341 Ų4134%0.34423%0.231SC..  trans-65.1167.1172.728.7-35000112.1Y562 V599P558-Y562 HydrophobicContact CB-CD1 4.09Å; P558-Y562 HydrophobicContact CB-CD2 4.37Å; P558-Y562 HydrophobicContact CB-CG 3.84Å; P558-Y562 HydrophobicContact CG-CD1 4.4Å; P558-V599 VanDerWaalsContact CA-O 3.28Å; P558-V599 WeakPolarHBondContact CA-O 3.28Å; P558-V599 WeakPolarHBondContact CB-O 3.2Å
559Y97.2Very high97.5Very high7 Ų747.5 Ų47.53%0.02726%0.259CS..  trans-66.5155.7170.865.6-84.4000111.3N418 T561 Y562 S565 V599 R600N418-Y559 PolarHBondContact ND2-OH 2.93Å; Y559-T561 WeakPolarHBondContact CD2-OG1 3.43Å; Y559-T561 WeakPolarHBondContact CE2-O 3.47Å; Y559-T561 WeakPolarHBondContact CE2-OG1 3.2Å; Y559-T561 PolarHBondContact O-N 3Å; Y559-Y562 HydrophobicContact CD1-CD2 4.48Å; Y559-Y562 AromaticContact CE1-CD2 3.77Å; Y559-Y562 HydrophobicContact CE1-CD2 3.77Å; Y559-Y562 HydrophobicContact CE1-CG 4.33Å; Y559-Y562 VanDerWaalsContact CZ-CA 3.44Å; Y559-Y562 VanDerWaalsContact O-CB 3.26Å; Y559-Y562 WeakPolarHBondContact O-CB 3.48Å; Y559-Y562 PolarHBondContact O-N 2.73Å; Y559-Y562 VanDerWaalsContact O-N 3.08Å; Y559-S565 WeakPolarHBondContact OH-CB 3.34Å; Y559-S565 PolarHBondContact OH-OG 3.06Å; Y559-V599 HydrophobicContact CD1-CG2 4.4Å; Y559-V599 VanDerWaalsContact CD1-O 3.26Å; Y559-V599 WeakPolarHBondContact CD1-O 3.42Å; Y559-V599 HydrophobicContact CE1-CG2 3.87Å; Y559-V599 PolarHBondContact N-O 3.32Å; Y559-R600 WeakPolarHBondContact CB-O 3.46Å
560A96.3Very high97.4Very high83 Ų8349 Ų4969%0.68627%0.273SS*.THydrogen-bonded Turntrans-63.3-21.9-166.400000115.1R503R503-A560 HydrophobicContact CG-CB 4.1Å; R503-A560 PolarHBondContact O-N 3.31Å; R503-A560 VanDerWaalsContact O-N 3.17Å
561T95.4Very high97.3Very high11 Ų1151.9 Ų51.97%0.06729%0.288CS..THydrogen-bonded Turntrans-112.427.2178.6590000113.3N421 L422 R503 H504 Y559N421-T561 PolarHBondContact ND2-O 2.98Å; N421-T561 VanDerWaalsContact ND2-O 3.07Å; L422-T561 HydrophobicContact CD2-CG2 3.85Å; R503-T561 HydrophobicContact CG-CG2 3.68Å; H504-T561 PolarHBondContact ND1-OG1 3.26Å; Y559-T561 WeakPolarHBondContact CD2-OG1 3.43Å; Y559-T561 WeakPolarHBondContact CE2-O 3.47Å; Y559-T561 WeakPolarHBondContact CE2-OG1 3.2Å; Y559-T561 PolarHBondContact O-N 3Å
562Y97.6Very high97.3Very high13 Ų1349.2 Ų49.25%0.05128%0.275CS..  trans-63.7-43.8176.1172.4-97.9000111.7P558 Y559 G564 S565 I567 S568 I594 G598 V599P558-Y562 HydrophobicContact CB-CD1 4.09Å; P558-Y562 HydrophobicContact CB-CD2 4.37Å; P558-Y562 HydrophobicContact CB-CG 3.84Å; P558-Y562 HydrophobicContact CG-CD1 4.4Å; Y559-Y562 HydrophobicContact CD1-CD2 4.48Å; Y559-Y562 AromaticContact CE1-CD2 3.77Å; Y559-Y562 HydrophobicContact CE1-CD2 3.77Å; Y559-Y562 HydrophobicContact CE1-CG 4.33Å; Y559-Y562 VanDerWaalsContact CZ-CA 3.44Å; Y559-Y562 VanDerWaalsContact O-CB 3.26Å; Y559-Y562 WeakPolarHBondContact O-CB 3.48Å; Y559-Y562 PolarHBondContact O-N 2.73Å; Y559-Y562 VanDerWaalsContact O-N 3.08Å; Y562-G564 PolarHBondContact O-N 3.17Å; Y562-S565 WeakPolarHBondContact O-CB 3.31Å; Y562-S565 PolarHBondContact O-N 3.06Å; Y562-S565 PolarHBondContact O-OG 3.42Å; Y562-I567 HydrophobicContact CD2-CG2 3.99Å; Y562-I567 HydrophobicContact CE2-CG2 3.67Å; Y562-S568 WeakPolarHBondContact O-CB 3.49Å; Y562-S568 PolarHBondContact O-OG 2.6Å; Y562-S568 WeakPolarHBondContact OH-CA 3.43Å; Y562-I594 PolarHBondContact OH-O 2.7Å; Y562-G598 VanDerWaalsContact CZ-CA 3.43Å; Y562-G598 WeakPolarHBondContact OH-CA 3.27Å; Y562-V599 HydrophobicContact CD2-CG2 3.99Å; Y562-V599 HydrophobicContact CE2-CG2 3.98Å
563E97.2Very high97.3Very high148 Ų14848.7 Ų48.769%0.69227%0.273SS*.THydrogen-bonded Turntrans-60.6127.5180-66.3-55.8144.900111.8N421 S565N421-E563 PolarHBondContact ND2-O 2.74Å; E563-S565 VanDerWaalsContact C-N 3.32Å
564G96Very high97.3Very high30 Ų3048.9 Ų48.931%0.30927%0.273SS..THydrogen-bonded Turntrans89-13.8-177.700000114.9Y562 S568 K569Y562-G564 PolarHBondContact O-N 3.17Å; G564-S568 PolarHBondContact N-OG 2.93Å; G564-K569 WeakPolarHBondContact O-CE 3.49Å; G564-K569 PolarHBondContact O-NZ 3.49Å
565S97.7Very high97.4Very high0 Ų045.4 Ų45.40%026%0.26CS..SBendtrans-62.9155172.868.50000111.2N418 Y559 Y562 E563 I567 S568 K569N418-S565 WeakPolarHBondContact O-CB 3.27Å; Y559-S565 WeakPolarHBondContact OH-CB 3.34Å; Y559-S565 PolarHBondContact OH-OG 3.06Å; Y562-S565 WeakPolarHBondContact O-CB 3.31Å; Y562-S565 PolarHBondContact O-N 3.06Å; Y562-S565 PolarHBondContact O-OG 3.42Å; E563-S565 VanDerWaalsContact C-N 3.32Å; S565-I567 VanDerWaalsContact C-N 3.27Å; S565-I567 PolarHBondContact O-N 3.08Å; S565-I567 VanDerWaalsContact OG-CG2 3.22Å; S565-I567 WeakPolarHBondContact OG-CG2 3.33Å; S565-S568 PolarHBondContact N-OG 3.11Å; S565-S568 WeakPolarHBondContact O-CB 3.49Å; S565-S568 PolarHBondContact O-N 3.49Å; S565-S568 VanDerWaalsContact O-N 3.12Å; S565-S568 PolarHBondContact O-OG 3.26Å; S565-S568 PolarHBondContact OG-N 3.07Å; S565-K569 PolarHBondContact O-N 2.86Å
566P98.1Very high97.4Very high0 Ų041.6 Ų41.60%024%0.239CC..THydrogen-bonded Turntrans-51.5-42.9173.2-31.139000114.5N418 Q420 S568 K569 G570 I571 M576N418-P566 WeakPolarHBondContact O-CD 3.26Å; N418-P566 VanDerWaalsContact OD1-CD 3.31Å; N418-P566 WeakPolarHBondContact OD1-CD 3.44Å; Q420-P566 HydrophobicContact CG-CG 3.72Å; Q420-P566 VanDerWaalsContact NE2-CG 3.28Å; P566-S568 VanDerWaalsContact C-N 3.26Å; P566-S568 PolarHBondContact O-N 2.77Å; P566-K569 CarbonylContact O-C 3.37Å; P566-K569 WeakPolarHBondContact O-CA 3.21Å; P566-K569 WeakPolarHBondContact O-CB 3.4Å; P566-K569 PolarHBondContact O-N 3.41Å; P566-G570 PolarHBondContact O-N 2.92Å; P566-I571 CarbonylContact C-O 3.31Å; P566-I571 VanDerWaalsContact C-O 3.31Å; P566-I571 HydrophobicContact CB-CB 4.07Å; P566-I571 HydrophobicContact CB-CG2 4.35Å; P566-I571 WeakPolarHBondContact O-CB 3.47Å; P566-I571 PolarHBondContact O-N 2.82Å; P566-M576 HydrophobicContact CB-CE 3.1Å; P566-M576 HydrophobicContact CG-CE 3.4Å; P566-M576 VanDerWaalsContact CG-CE 3.4Å
567I97.8Very high97.5Very high6 Ų636.7 Ų36.73%0.03122%0.217CC..G310 helixtrans-64.2-32.5-179.8-169.5155.5000112.3N418 L546 Y562 S565 K569 G570 I571 L572 I594 V599N418-I567 VanDerWaalsContact ND2-CG2 3.29Å; N418-I567 WeakPolarHBondContact ND2-CG2 3.07Å; N418-I567 WeakPolarHBondContact OD1-CB 3.24Å; N418-I567 VanDerWaalsContact OD1-CG2 3.3Å; N418-I567 WeakPolarHBondContact OD1-CG2 3.39Å; N418-I567 PolarHBondContact OD1-N 2.99Å; L546-I567 HydrophobicContact CD2-CD1 3.37Å; Y562-I567 HydrophobicContact CD2-CG2 3.99Å; Y562-I567 HydrophobicContact CE2-CG2 3.67Å; S565-I567 VanDerWaalsContact C-N 3.27Å; S565-I567 PolarHBondContact O-N 3.08Å; S565-I567 VanDerWaalsContact OG-CG2 3.22Å; S565-I567 WeakPolarHBondContact OG-CG2 3.33Å; I567-K569 PolarHBondContact O-N 3.14Å; I567-G570 PolarHBondContact O-N 3.39Å; I567-G570 VanDerWaalsContact O-N 3.09Å; I567-I571 PolarHBondContact N-O 2.8Å; I567-L572 HydrophobicContact CD1-CD2 3.72Å; I567-L572 HydrophobicContact CG1-CD2 3.79Å; I567-I594 HydrophobicContact CD1-CD1 4.26Å; I567-I594 HydrophobicContact CD1-CG2 4.25Å; I567-I594 HydrophobicContact CG1-CG2 3.66Å; I567-V599 HydrophobicContact CD1-CB 4.49Å; I567-V599 HydrophobicContact CD1-CG1 3.8Å; I567-V599 HydrophobicContact CD1-CG2 3.9Å; I567-V599 HydrophobicContact CG1-CG1 4.5Å; I567-V599 HydrophobicContact CG1-CG2 4.48Å; I567-V599 HydrophobicContact CG2-CG2 4.14Å
568S97.4Very high97.5Very high32 Ų3242.9 Ų42.922%0.22424%0.244CC..G310 helixtrans-65.2-19.6172.3740000113.4Y562 G564 S565 P566Y562-S568 WeakPolarHBondContact O-CB 3.49Å; Y562-S568 PolarHBondContact O-OG 2.6Å; Y562-S568 WeakPolarHBondContact OH-CA 3.43Å; G564-S568 PolarHBondContact N-OG 2.93Å; S565-S568 PolarHBondContact N-OG 3.11Å; S565-S568 WeakPolarHBondContact O-CB 3.49Å; S565-S568 PolarHBondContact O-N 3.49Å; S565-S568 VanDerWaalsContact O-N 3.12Å; S565-S568 PolarHBondContact O-OG 3.26Å; S565-S568 PolarHBondContact OG-N 3.07Å; P566-S568 VanDerWaalsContact C-N 3.26Å; P566-S568 PolarHBondContact O-N 2.77Å
569K97.2Very high97.5Very high136 Ų13642.6 Ų42.659%0.59124%0.241SC*.G310 helixtrans-98.39176.4-58.4169.1-178.2167.50112.5G564 S565 P566 I567 I571G564-K569 WeakPolarHBondContact O-CE 3.49Å; G564-K569 PolarHBondContact O-NZ 3.49Å; S565-K569 PolarHBondContact O-N 2.86Å; P566-K569 CarbonylContact O-C 3.37Å; P566-K569 WeakPolarHBondContact O-CA 3.21Å; P566-K569 WeakPolarHBondContact O-CB 3.4Å; P566-K569 PolarHBondContact O-N 3.41Å; I567-K569 PolarHBondContact O-N 3.14Å; K569-I571 VanDerWaalsContact C-N 3.28Å; K569-I571 HydrophobicContact CB-CD1 4.23Å; K569-I571 HydrophobicContact CB-CG1 4.32Å; K569-I571 PolarHBondContact O-N 3Å
570G96.6Very high97.4Very high30 Ų3048.2 Ų48.231%0.30928%0.276SS..THydrogen-bonded Turntrans74.113.9-177.600000114.9P566 I567 K591P566-G570 PolarHBondContact O-N 2.92Å; I567-G570 PolarHBondContact O-N 3.39Å; I567-G570 VanDerWaalsContact O-N 3.09Å; G570-K591 WeakPolarHBondContact O-CE 3.2Å; G570-K591 PolarHBondContact O-NZ 3.31Å; G570-K591 VanDerWaalsContact O-NZ 3.09Å
571I98Very high97.4Very high67 Ų6745.5 Ų45.534%0.34425%0.251SS..  trans-96.2109.9178.5-54.2171.1000108.2P566 I567 K569 D575 M576P566-I571 CarbonylContact C-O 3.31Å; P566-I571 VanDerWaalsContact C-O 3.31Å; P566-I571 HydrophobicContact CB-CB 4.07Å; P566-I571 HydrophobicContact CB-CG2 4.35Å; P566-I571 WeakPolarHBondContact O-CB 3.47Å; P566-I571 PolarHBondContact O-N 2.82Å; I567-I571 PolarHBondContact N-O 2.8Å; K569-I571 VanDerWaalsContact C-N 3.28Å; K569-I571 HydrophobicContact CB-CD1 4.23Å; K569-I571 HydrophobicContact CB-CG1 4.32Å; K569-I571 PolarHBondContact O-N 3Å; I571-D575 HydrophobicContact CG2-CB 3.94Å; I571-M576 HydrophobicContact CG2-CE 4.1Å; I571-M576 HydrophobicContact CG2-CG 3.91Å
572L98.2Very high97.4Very high3 Ų346.8 Ų46.82%0.01626%0.26CS..  trans-95173.2175-60.3-175.1000110.7Y542 L546 I567 Y574 D575 M576 W587 K591 I594Y542-L572 HydrophobicContact CE1-CB 4.38Å; L546-L572 HydrophobicContact CD1-CD1 3.97Å; L546-L572 HydrophobicContact CD1-CD2 4.05Å; L546-L572 HydrophobicContact CD2-CD2 4.42Å; I567-L572 HydrophobicContact CD1-CD2 3.72Å; I567-L572 HydrophobicContact CG1-CD2 3.79Å; L572-Y574 HydrophobicContact CB-CD1 4.21Å; L572-Y574 HydrophobicContact CB-CE1 3.7Å; L572-Y574 HydrophobicContact CD1-CE1 3.8Å; L572-Y574 HydrophobicContact CG-CE1 4.38Å; L572-Y574 PolarHBondContact O-N 2.88Å; L572-D575 PolarHBondContact N-OD2 3.42Å; L572-D575 WeakPolarHBondContact O-CB 3.42Å; L572-D575 PolarHBondContact O-N 3.21Å; L572-D575 VanDerWaalsContact O-N 3.1Å; L572-M576 PolarHBondContact O-N 3.11Å; L572-W587 HydrophobicContact CD1-CE3 3.89Å; L572-W587 HydrophobicContact CD1-CZ3 4.03Å; L572-K591 HydrophobicContact CD1-CG 3.91Å; L572-K591 HydrophobicContact CG-CG 4.39Å; L572-I594 HydrophobicContact CD2-CD1 4.24Å
573Q98.5Very high97.2Very high2 Ų253.8 Ų53.81%0.00930%0.298CS..Hα-helixtrans-55.9-48.1-174.2-175.661.63.500113.2K416 Y542 D575 M576 W577 A706 I708 D709 K739K416-Q573 PolarHBondContact O-NE2 3.21Å; K416-Q573 PolarHBondContact O-OE1 3.11Å; K416-Q573 VanDerWaalsContact O-OE1 3.1Å; Y542-Q573 HydrophobicContact CE1-CB 3.84Å; Y542-Q573 HydrophobicContact CE2-CB 4.43Å; Y542-Q573 PolarHBondContact OH-N 2.93Å; Q573-D575 PolarHBondContact O-N 2.77Å; Q573-M576 WeakPolarHBondContact O-CB 3.48Å; Q573-M576 PolarHBondContact O-N 2.89Å; Q573-M576 PolarHBondContact OE1-SD 2.93Å; Q573-W577 VanDerWaalsContact O-CD1 3.26Å; Q573-W577 PolarHBondContact O-N 2.83Å; Q573-A706 CarbonylContact C-O 3.4Å; Q573-A706 VanDerWaalsContact CG-O 3.28Å; Q573-A706 WeakPolarHBondContact CG-O 3.46Å; Q573-I708 VanDerWaalsContact CD-O 3.3Å; Q573-I708 WeakPolarHBondContact CG-O 3.43Å; Q573-I708 PolarHBondContact NE2-O 3.42Å; Q573-D709 HydrophobicContact CB-CB 4.49Å; Q573-K739 VanDerWaalsContact NE2-NZ 3.13Å
574Y98.2Very high97.1Very high8 Ų849.4 Ų49.43%0.03128%0.279CS..Hα-helixtrans-65.1-27-178.255.6-98.1000112.7Y542 L572 M576 W577 N578 V579 P581 W587 K591 A706 F707Y542-Y574 HydrophobicContact CE1-CD1 4.24Å; Y542-Y574 HydrophobicContact CE1-CE1 4.44Å; L572-Y574 HydrophobicContact CB-CD1 4.21Å; L572-Y574 HydrophobicContact CB-CE1 3.7Å; L572-Y574 HydrophobicContact CD1-CE1 3.8Å; L572-Y574 HydrophobicContact CG-CE1 4.38Å; L572-Y574 PolarHBondContact O-N 2.88Å; Y574-M576 VanDerWaalsContact C-N 3.31Å; Y574-M576 PolarHBondContact O-N 2.95Å; Y574-W577 CarbonylContact O-C 3.47Å; Y574-W577 PolarHBondContact O-N 3.48Å; Y574-W577 VanDerWaalsContact O-N 3.11Å; Y574-N578 PolarHBondContact O-N 3.37Å; Y574-N578 VanDerWaalsContact O-N 3.1Å; Y574-V579 WeakPolarHBondContact CD2-O 3.12Å; Y574-V579 PolarHBondContact O-N 3.2Å; Y574-P581 HydrophobicContact CD1-CG 3.82Å; Y574-P581 HydrophobicContact CD2-CG 3.55Å; Y574-P581 HydrophobicContact CE1-CG 3.83Å; Y574-P581 HydrophobicContact CE2-CG 3.54Å; Y574-P581 HydrophobicContact CG-CG 3.67Å; Y574-W587 HydrophobicContact CD1-CZ3 4.42Å; Y574-W587 AromaticContact CE1-CD2 3.81Å; Y574-W587 HydrophobicContact CE1-CD2 3.81Å; Y574-W587 AromaticContact CE1-CE3 3.45Å; Y574-W587 HydrophobicContact CE1-CE3 3.45Å; Y574-W587 VanDerWaalsContact CE1-CE3 3.45Å; Y574-W587 HydrophobicContact CE1-CH2 4.06Å; Y574-W587 HydrophobicContact CE1-CZ2 4.38Å; Y574-W587 AromaticContact CE1-CZ3 3.59Å; Y574-W587 HydrophobicContact CE1-CZ3 3.59Å; Y574-W587 AromaticContact CZ-CE3 3.86Å; Y574-K591 VanDerWaalsContact OH-CE 3.22Å; Y574-K591 WeakPolarHBondContact OH-CE 3.44Å; Y574-A706 WeakPolarHBondContact CA-O 3.31Å; Y574-A706 WeakPolarHBondContact CB-O 3.42Å; Y574-A706 PolarHBondContact N-O 3.39Å; Y574-F707 HydrophobicContact CD1-CD1 4.23Å; Y574-F707 HydrophobicContact CD1-CE1 4.08Å; Y574-F707 HydrophobicContact CG-CE1 4.4Å
575D98.2Very high97.2Very high54 Ų5450.7 Ų50.729%0.28927%0.274SS..Hα-helixtrans-64.3-39.1173.5-57.2-60.1000110.1I571 L572 Q573 W577 N578 K591I571-D575 HydrophobicContact CG2-CB 3.94Å; L572-D575 PolarHBondContact N-OD2 3.42Å; L572-D575 WeakPolarHBondContact O-CB 3.42Å; L572-D575 PolarHBondContact O-N 3.21Å; L572-D575 VanDerWaalsContact O-N 3.1Å; Q573-D575 PolarHBondContact O-N 2.77Å; D575-W577 PolarHBondContact O-N 3.43Å; D575-N578 PolarHBondContact O-N 3.49Å; D575-N578 VanDerWaalsContact O-N 3.07Å; D575-N578 PolarHBondContact O-OD1 2.87Å; D575-K591 VanDerWaalsContact CG-NZ 3.31Å; D575-K591 IonicContact OD1-NZ 2.87Å; D575-K591 PolarHBondContact OD1-NZ 3.09Å; D575-K591 VanDerWaalsContact OD1-NZ 3.15Å; D575-K591 WeakPolarHBondContact OD2-CE 3.26Å; D575-K591 IonicContact OD2-NZ 2.66Å; D575-K591 PolarHBondContact OD2-NZ 3.21Å
576M98.1Very high97.2Very high30 Ų3054.7 Ų54.715%0.14830%0.296CS..Hα-helixtrans-68.6-15175.4-55.1172.2179.100113.5K416 P566 I571 L572 Q573 Y574K416-M576 VanDerWaalsContact C-SD 3.52Å; K416-M576 VanDerWaalsContact CA-SD 3.52Å; K416-M576 HydrophobicContact CB-CB 4.14Å; K416-M576 HydrophobicContact CB-SD 4.25Å; K416-M576 HydrophobicContact CG-CB 4.19Å; P566-M576 HydrophobicContact CB-CE 3.1Å; P566-M576 HydrophobicContact CG-CE 3.4Å; P566-M576 VanDerWaalsContact CG-CE 3.4Å; I571-M576 HydrophobicContact CG2-CE 4.1Å; I571-M576 HydrophobicContact CG2-CG 3.91Å; L572-M576 PolarHBondContact O-N 3.11Å; Q573-M576 WeakPolarHBondContact O-CB 3.48Å; Q573-M576 PolarHBondContact O-N 2.89Å; Q573-M576 PolarHBondContact OE1-SD 2.93Å; Y574-M576 VanDerWaalsContact C-N 3.31Å; Y574-M576 PolarHBondContact O-N 2.95Å
577W98Very high97.1Very high32 Ų3255.6 Ų55.612%0.12130%0.299CS..THydrogen-bonded Turntrans-100.2-2.7173.9-7476.2000113K416 Q573 Y574 D575 V579 G705 A706 K736 G737K416-W577 HydrophobicContact CD-CD2 3.98Å; K416-W577 HydrophobicContact CD-CG 4.18Å; K416-W577 HydrophobicContact CD-CZ2 3.97Å; Q573-W577 VanDerWaalsContact O-CD1 3.26Å; Q573-W577 PolarHBondContact O-N 2.83Å; Y574-W577 CarbonylContact O-C 3.47Å; Y574-W577 PolarHBondContact O-N 3.48Å; Y574-W577 VanDerWaalsContact O-N 3.11Å; D575-W577 PolarHBondContact O-N 3.43Å; W577-V579 VanDerWaalsContact C-N 3.25Å; W577-V579 HydrophobicContact CB-CB 4.47Å; W577-V579 HydrophobicContact CB-CG2 3.96Å; W577-V579 PolarHBondContact O-N 2.97Å; W577-G705 PolarHBondContact NE1-O 2.86Å; W577-A706 HydrophobicContact CB-CB 4.11Å; W577-A706 HydrophobicContact CG-CB 4.17Å; W577-K736 WeakPolarHBondContact CZ3-O 3.28Å; W577-G737 WeakPolarHBondContact CH2-O 3.4Å; W577-G737 WeakPolarHBondContact CZ3-O 3.48Å
578N97.5Very high97.1Very high156 Ų15660 Ų6083%0.83433%0.326SS*.THydrogen-bonded Turntrans55.340-171.5-51.7-48.6000112.6Y574 D575Y574-N578 PolarHBondContact O-N 3.37Å; Y574-N578 VanDerWaalsContact O-N 3.1Å; D575-N578 PolarHBondContact O-N 3.49Å; D575-N578 VanDerWaalsContact O-N 3.07Å; D575-N578 PolarHBondContact O-OD1 2.87Å
579V97.4Very high97Very high47 Ų4762.4 Ų62.429%0.28533%0.334SS..  trans-110.4130.3179.8172.30000109.7Y574 W577 A706Y574-V579 WeakPolarHBondContact CD2-O 3.12Å; Y574-V579 PolarHBondContact O-N 3.2Å; W577-V579 VanDerWaalsContact C-N 3.25Å; W577-V579 HydrophobicContact CB-CB 4.47Å; W577-V579 HydrophobicContact CB-CG2 3.96Å; W577-V579 PolarHBondContact O-N 2.97Å; V579-A706 HydrophobicContact CB-CB 4Å; V579-A706 HydrophobicContact CG1-CB 4.12Å; V579-A706 HydrophobicContact CG2-CB 3.98Å
580T96.9Very high97Very high125 Ų12556.1 Ų56.177%0.76731%0.307SS*.  trans-84.5123.1168.7-51.80000109.3
581P96.2Very high97.1Very high25 Ų2557.4 Ų57.416%0.16230%0.304CS..  trans-61.7171.3174.4-21.933.7000113.3E539 Y574 W587 F707E539-P581 WeakPolarHBondContact OE1-CB 3.37Å; Y574-P581 HydrophobicContact CD1-CG 3.82Å; Y574-P581 HydrophobicContact CD2-CG 3.55Å; Y574-P581 HydrophobicContact CE1-CG 3.83Å; Y574-P581 HydrophobicContact CE2-CG 3.54Å; Y574-P581 HydrophobicContact CG-CG 3.67Å; P581-W587 HydrophobicContact CB-CG 4.3Å; P581-W587 HydrophobicContact CG-CD2 4.31Å; P581-W587 HydrophobicContact CG-CG 4.19Å; P581-F707 HydrophobicContact CB-CE1 4.04Å; P581-F707 HydrophobicContact CB-CZ 4.23Å; P581-F707 HydrophobicContact CG-CE1 4.13Å
582T94.5Very high97.1Very high39 Ų3960.3 Ų60.324%0.23932%0.316CS..  trans-78.2176.4172.870.40000111.2E539 L584E539-T582 PolarHBondContact OE1-N 3.44Å; E539-T582 PolarHBondContact OE1-OG1 2.85Å; E539-T582 WeakPolarHBondContact OE2-CB 3.42Å; E539-T582 WeakPolarHBondContact OE2-CG2 3.33Å; E539-T582 PolarHBondContact OE2-N 2.92Å; E539-T582 PolarHBondContact OE2-OG1 3.24Å; T582-L584 PolarHBondContact O-N 3.36Å; T582-L584 WeakPolarHBondContact OG1-CB 3.36Å; T582-L584 PolarHBondContact OG1-N 3.05Å
583D93.5Very high97Very high159 Ų15964.1 Ų64.185%0.8533%0.332SS*.THydrogen-bonded Turntrans-83.17.5175.561.4-21.7000113.3W585D583-W585 VanDerWaalsContact C-N 3.32Å; D583-W585 PolarHBondContact O-N 3.22Å
584L95.9Very high97Very high56 Ų5664.1 Ų64.129%0.29333%0.332SS..THydrogen-bonded Turntrans-65.2-33.6-176.8-175.562.5000112.8F469 Q536 T582F469-L584 HydrophobicContact CB-CD2 4.42Å; F469-L584 HydrophobicContact CD1-CD2 4.04Å; F469-L584 HydrophobicContact CD2-CD1 4.49Å; F469-L584 HydrophobicContact CD2-CD2 4.39Å; F469-L584 HydrophobicContact CE1-CD2 4.41Å; F469-L584 HydrophobicContact CG-CD2 4.03Å; Q536-L584 HydrophobicContact CB-CD2 4.07Å; Q536-L584 HydrophobicContact CG-CD2 4.29Å; T582-L584 PolarHBondContact O-N 3.36Å; T582-L584 WeakPolarHBondContact OG1-CB 3.36Å; T582-L584 PolarHBondContact OG1-N 3.05Å
585W97.4Very high97Very high58 Ų5867.4 Ų67.422%0.2236%0.361CS..SBendtrans-134.5148.6-178.3-61.7105.5000112.1F469 H473 T540 H543 D583 W587F469-W585 HydrophobicContact CB-CZ2 4.42Å; H473-W585 HydrophobicContact CB-CH2 3.71Å; H473-W585 HydrophobicContact CB-CZ2 3.79Å; H473-W585 AromaticContact CD2-CE2 3.95Å; H473-W585 AromaticContact CD2-CE3 3.9Å; H473-W585 AromaticContact CD2-CH2 3.38Å; H473-W585 WeakPolarHBondContact CD2-CH2 3.34Å; H473-W585 AromaticContact CD2-CZ2 3.62Å; H473-W585 AromaticContact CD2-CZ3 3.53Å; H473-W585 AromaticContact CG-CH2 3.72Å; T540-W585 HydrophobicContact CG2-CZ2 3.73Å; T540-W585 PolarHBondContact OG1-NE1 2.92Å; H543-W585 HydrophobicContact CB-CB 4.36Å; H543-W585 HydrophobicContact CB-CG 4.22Å; H543-W585 VanDerWaalsContact CD2-CB 3.42Å; H543-W585 WeakPolarHBondContact CD2-CB 3.44Å; H543-W585 AromaticContact CG-CG 3.88Å; D583-W585 VanDerWaalsContact C-N 3.32Å; D583-W585 PolarHBondContact O-N 3.22Å; W585-W587 VanDerWaalsContact O-CD1 3.23Å; W585-W587 PolarHBondContact O-N 2.91Å; W585-W587 VanDerWaalsContact O-N 3.08Å
586N96.7Very high96.9Very high83 Ų8372 Ų7244%0.44438%0.379SS..  trans-83.484.7-178.4-171.6-4000112.1V588 E589 L590N586-V588 VanDerWaalsContact C-N 3.29Å; N586-V588 PolarHBondContact O-N 3Å; N586-V588 PolarHBondContact OD1-N 3.33Å; N586-E589 HydrophobicContact CB-CB 4.34Å; N586-E589 WeakPolarHBondContact ND2-CB 3.37Å; N586-E589 PolarHBondContact ND2-OE2 3.2Å; N586-E589 PolarHBondContact OD1-N 2.98Å; N586-L590 PolarHBondContact O-N 2.96Å
587W97.5Very high96.9Very high19 Ų1974.2 Ų74.27%0.07239%0.386CS..Hα-helixtrans-64.3-28.1178.4-68.598.9000114.4E539 Y542 H543 L546 L572 Y574 P581 W585 L590 K591 F707E539-W587 HydrophobicContact CG-CZ2 3.61Å; E539-W587 PolarHBondContact OE1-NE1 3.35Å; Y542-W587 AromaticContact CD1-CH2 3.62Å; Y542-W587 HydrophobicContact CD1-CH2 3.62Å; Y542-W587 HydrophobicContact CD1-CZ3 4.02Å; Y542-W587 HydrophobicContact CE1-CH2 4.3Å; Y542-W587 HydrophobicContact CE1-CZ3 4.27Å; Y542-W587 HydrophobicContact CG-CH2 4.4Å; H543-W587 HydrophobicContact CB-CH2 3.67Å; H543-W587 HydrophobicContact CB-CZ2 3.84Å; H543-W587 HydrophobicContact CB-CZ3 4.29Å; L546-W587 HydrophobicContact CD1-CZ3 3.95Å; L572-W587 HydrophobicContact CD1-CE3 3.89Å; L572-W587 HydrophobicContact CD1-CZ3 4.03Å; Y574-W587 HydrophobicContact CD1-CZ3 4.42Å; Y574-W587 AromaticContact CE1-CD2 3.81Å; Y574-W587 HydrophobicContact CE1-CD2 3.81Å; Y574-W587 AromaticContact CE1-CE3 3.45Å; Y574-W587 HydrophobicContact CE1-CE3 3.45Å; Y574-W587 VanDerWaalsContact CE1-CE3 3.45Å; Y574-W587 HydrophobicContact CE1-CH2 4.06Å; Y574-W587 HydrophobicContact CE1-CZ2 4.38Å; Y574-W587 AromaticContact CE1-CZ3 3.59Å; Y574-W587 HydrophobicContact CE1-CZ3 3.59Å; Y574-W587 AromaticContact CZ-CE3 3.86Å; P581-W587 HydrophobicContact CB-CG 4.3Å; P581-W587 HydrophobicContact CG-CD2 4.31Å; P581-W587 HydrophobicContact CG-CG 4.19Å; W585-W587 VanDerWaalsContact O-CD1 3.23Å; W585-W587 PolarHBondContact O-N 2.91Å; W585-W587 VanDerWaalsContact O-N 3.08Å; W587-L590 HydrophobicContact CE3-CD2 4.04Å; W587-L590 HydrophobicContact CZ3-CD2 3.95Å; W587-L590 PolarHBondContact O-N 3.31Å; W587-K591 WeakPolarHBondContact O-CG 3.46Å; W587-K591 PolarHBondContact O-N 3.23Å; W587-F707 HydrophobicContact CZ2-CD1 4.35Å; W587-F707 HydrophobicContact CZ2-CE1 4.24Å
588V96.2Very high96.9Very high98 Ų9872.8 Ų72.859%0.59438%0.382SS*.Hα-helixtrans-66.7-50.9-179.6178.50000110N586 L590 K591 E592N586-V588 VanDerWaalsContact C-N 3.29Å; N586-V588 PolarHBondContact O-N 3Å; N586-V588 PolarHBondContact OD1-N 3.33Å; V588-L590 VanDerWaalsContact C-N 3.3Å; V588-L590 PolarHBondContact O-N 2.83Å; V588-K591 PolarHBondContact O-N 3.4Å; V588-E592 WeakPolarHBondContact O-CG 3.1Å; V588-E592 PolarHBondContact O-N 2.84Å
589E96.7Very high96.9Very high83 Ų8365.4 Ų65.439%0.38834%0.342SS..Hα-helixtrans-61.5-38.7177.4-175.8-170.7158.300111.8N586 E592 K593N586-E589 HydrophobicContact CB-CB 4.34Å; N586-E589 WeakPolarHBondContact ND2-CB 3.37Å; N586-E589 PolarHBondContact ND2-OE2 3.2Å; N586-E589 PolarHBondContact OD1-N 2.98Å; E589-E592 PolarHBondContact O-N 3.11Å; E589-K593 HydrophobicContact CG-CD 4.4Å; E589-K593 WeakPolarHBondContact O-CG 3.38Å; E589-K593 PolarHBondContact O-N 3.49Å; E589-K593 VanDerWaalsContact OE1-CE 3.32Å; E589-K593 WeakPolarHBondContact OE1-CE 3.18Å; E589-K593 IonicContact OE1-NZ 3.26Å; E589-K593 PolarHBondContact OE1-NZ 3.25Å
590L97.6Very high97Very high5 Ų565.1 Ų65.13%0.02634%0.336CS..Hα-helixtrans-64.3-43.7176179.258.9000111.8L546 E547 N586 W587 V588 E592 K593 I594L546-L590 HydrophobicContact CB-CD1 4.43Å; L546-L590 HydrophobicContact CB-CD2 3.85Å; L546-L590 HydrophobicContact CD1-CD2 4.19Å; E547-L590 HydrophobicContact CB-CD1 4.03Å; N586-L590 PolarHBondContact O-N 2.96Å; W587-L590 HydrophobicContact CE3-CD2 4.04Å; W587-L590 HydrophobicContact CZ3-CD2 3.95Å; W587-L590 PolarHBondContact O-N 3.31Å; V588-L590 VanDerWaalsContact C-N 3.3Å; V588-L590 PolarHBondContact O-N 2.83Å; L590-E592 VanDerWaalsContact C-N 3.32Å; L590-E592 PolarHBondContact O-N 3.25Å; L590-K593 PolarHBondContact O-N 3.44Å; L590-I594 HydrophobicContact CD1-CD1 3.96Å; L590-I594 HydrophobicContact CD1-CG1 4.18Å; L590-I594 HydrophobicContact CG-CD1 3.82Å; L590-I594 HydrophobicContact CG-CG1 4.48Å; L590-I594 WeakPolarHBondContact O-CB 3.47Å; L590-I594 VanDerWaalsContact O-CG1 3.28Å; L590-I594 WeakPolarHBondContact O-CG1 3.38Å; L590-I594 PolarHBondContact O-N 3.35Å
591K97.8Very high97.1Very high56 Ų5659.3 Ų59.324%0.24330%0.3CS..Hα-helixtrans-61.2-40.1175.4-77.4-171.6179.5-161.90111.8G570 L572 Y574 D575 W587 V588 I594 A595G570-K591 WeakPolarHBondContact O-CE 3.2Å; G570-K591 PolarHBondContact O-NZ 3.31Å; G570-K591 VanDerWaalsContact O-NZ 3.09Å; L572-K591 HydrophobicContact CD1-CG 3.91Å; L572-K591 HydrophobicContact CG-CG 4.39Å; Y574-K591 VanDerWaalsContact OH-CE 3.22Å; Y574-K591 WeakPolarHBondContact OH-CE 3.44Å; D575-K591 VanDerWaalsContact CG-NZ 3.31Å; D575-K591 IonicContact OD1-NZ 2.87Å; D575-K591 PolarHBondContact OD1-NZ 3.09Å; D575-K591 VanDerWaalsContact OD1-NZ 3.15Å; D575-K591 WeakPolarHBondContact OD2-CE 3.26Å; D575-K591 IonicContact OD2-NZ 2.66Å; D575-K591 PolarHBondContact OD2-NZ 3.21Å; W587-K591 WeakPolarHBondContact O-CG 3.46Å; W587-K591 PolarHBondContact O-N 3.23Å; V588-K591 PolarHBondContact O-N 3.4Å; K591-I594 PolarHBondContact O-N 2.98Å; K591-A595 WeakPolarHBondContact O-CB 3.49Å; K591-A595 PolarHBondContact O-N 3.23Å
592E97.5Very high97.2Very high128 Ų12858.2 Ų58.260%0.59829%0.293SS*.Hα-helixtrans-63.1-43.9175.3-70.7174.5177.900112.2V588 E589 L590 A595 K596V588-E592 WeakPolarHBondContact O-CG 3.1Å; V588-E592 PolarHBondContact O-N 2.84Å; E589-E592 PolarHBondContact O-N 3.11Å; L590-E592 VanDerWaalsContact C-N 3.32Å; L590-E592 PolarHBondContact O-N 3.25Å; E592-A595 PolarHBondContact O-N 3.04Å; E592-K596 PolarHBondContact O-N 3.03Å; E592-K596 VanDerWaalsContact O-N 3.15Å
593K97.6Very high97.3Very high83 Ų8356.3 Ų56.336%0.36128%0.281SS..Hα-helixtrans-61.8-45.5175-75.3169.1172.3167.70111.6C550 E589 L590 K596 Y597C550-K593 VanDerWaalsContact SG-C 3.59Å; C550-K593 PolarHBondContact SG-O 3.44Å; E589-K593 HydrophobicContact CG-CD 4.4Å; E589-K593 WeakPolarHBondContact O-CG 3.38Å; E589-K593 PolarHBondContact O-N 3.49Å; E589-K593 VanDerWaalsContact OE1-CE 3.32Å; E589-K593 WeakPolarHBondContact OE1-CE 3.18Å; E589-K593 IonicContact OE1-NZ 3.26Å; E589-K593 PolarHBondContact OE1-NZ 3.25Å; L590-K593 PolarHBondContact O-N 3.44Å; K593-K596 PolarHBondContact O-N 2.91Å; K593-K596 VanDerWaalsContact O-N 3.14Å; K593-Y597 VanDerWaalsContact O-CD2 3.28Å; K593-Y597 WeakPolarHBondContact O-CD2 3.37Å; K593-Y597 PolarHBondContact O-N 3.21Å
594I98Very high97.6Very high2 Ų248.8 Ų48.81%0.0124%0.241CC..Hα-helixtrans-61.9-43.6177.4-71.4167.4000110.9L546 C550 Y562 I567 L572 L590 K591 K596 G598 V599L546-I594 HydrophobicContact CB-CD1 4.35Å; L546-I594 HydrophobicContact CD2-CD1 4.22Å; C550-I594 HydrophobicContact CB-CG1 4.22Å; Y562-I594 PolarHBondContact OH-O 2.7Å; I567-I594 HydrophobicContact CD1-CD1 4.26Å; I567-I594 HydrophobicContact CD1-CG2 4.25Å; I567-I594 HydrophobicContact CG1-CG2 3.66Å; L572-I594 HydrophobicContact CD2-CD1 4.24Å; L590-I594 HydrophobicContact CD1-CD1 3.96Å; L590-I594 HydrophobicContact CD1-CG1 4.18Å; L590-I594 HydrophobicContact CG-CD1 3.82Å; L590-I594 HydrophobicContact CG-CG1 4.48Å; L590-I594 WeakPolarHBondContact O-CB 3.47Å; L590-I594 VanDerWaalsContact O-CG1 3.28Å; L590-I594 WeakPolarHBondContact O-CG1 3.38Å; L590-I594 PolarHBondContact O-N 3.35Å; K591-I594 PolarHBondContact O-N 2.98Å; I594-K596 PolarHBondContact O-N 3.04Å; I594-G598 VanDerWaalsContact O-CA 3.23Å; I594-G598 WeakPolarHBondContact O-CA 3.26Å; I594-G598 PolarHBondContact O-N 2.77Å; I594-V599 HydrophobicContact CD1-CG1 4.29Å; I594-V599 HydrophobicContact CG1-CG1 3.87Å; I594-V599 HydrophobicContact CG2-CG1 4.12Å
595A97.1Very high97.7Very high78 Ų7846.1 Ų46.165%0.64523%0.227SC*.Hα-helixtrans-61.2-29.7176.900000112.4K591 E592K591-A595 WeakPolarHBondContact O-CB 3.49Å; K591-A595 PolarHBondContact O-N 3.23Å; E592-A595 PolarHBondContact O-N 3.04Å
596K97.3Very high97.8Very high151 Ų15143.4 Ų43.466%0.65722%0.217SC*.Hα-helixtrans-83-42.3180-174175.3177.6-171.90114.1E592 K593 I594E592-K596 PolarHBondContact O-N 3.03Å; E592-K596 VanDerWaalsContact O-N 3.15Å; K593-K596 PolarHBondContact O-N 2.91Å; K593-K596 VanDerWaalsContact O-N 3.14Å; I594-K596 PolarHBondContact O-N 3.04Å
597Y97.8Very high97.8Very high75 Ų7539.5 Ų39.529%0.29420%0.196SC..Hα-helixtrans-114.2-13.9-170.1-53.6-65.5000114.2A553 K554 K593A553-Y597 WeakPolarHBondContact CB-O 3.44Å; K554-Y597 HydrophobicContact CB-CD1 4.1Å; K554-Y597 HydrophobicContact CB-CG 4.08Å; K554-Y597 HydrophobicContact CD-CD1 4.38Å; K554-Y597 HydrophobicContact CD-CE1 4.15Å; K554-Y597 HydrophobicContact CG-CD1 3.84Å; K554-Y597 HydrophobicContact CG-CE1 3.99Å; K554-Y597 HydrophobicContact CG-CG 4.25Å; K593-Y597 VanDerWaalsContact O-CD2 3.28Å; K593-Y597 WeakPolarHBondContact O-CD2 3.37Å; K593-Y597 PolarHBondContact O-N 3.21Å
598G97.9Very high97.8Very high3 Ų339.2 Ų39.23%0.03120%0.196CC..  trans71.5-165.1-167.900000113.3C550 A553 Y562 I594C550-G598 WeakPolarHBondContact CA-O 3.35Å; C550-G598 PolarHBondContact SG-O 2.9Å; C550-G598 VanDerWaalsContact SG-O 3.34Å; A553-G598 WeakPolarHBondContact CB-O 3.37Å; Y562-G598 VanDerWaalsContact CZ-CA 3.43Å; Y562-G598 WeakPolarHBondContact OH-CA 3.27Å; I594-G598 VanDerWaalsContact O-CA 3.23Å; I594-G598 WeakPolarHBondContact O-CA 3.26Å; I594-G598 PolarHBondContact O-N 2.77Å
599V98.4Very high97.8Very high0 Ų036.5 Ų36.50%018%0.18CC..  trans-132.1151.2174.9-61.10000110.9L546 C550 P558 Y559 Y562 I567 I594 N601L546-V599 HydrophobicContact CD2-CG1 4.49Å; C550-V599 HydrophobicContact CB-CG1 4.34Å; P558-V599 VanDerWaalsContact CA-O 3.28Å; P558-V599 WeakPolarHBondContact CA-O 3.28Å; P558-V599 WeakPolarHBondContact CB-O 3.2Å; Y559-V599 HydrophobicContact CD1-CG2 4.4Å; Y559-V599 VanDerWaalsContact CD1-O 3.26Å; Y559-V599 WeakPolarHBondContact CD1-O 3.42Å; Y559-V599 HydrophobicContact CE1-CG2 3.87Å; Y559-V599 PolarHBondContact N-O 3.32Å; Y562-V599 HydrophobicContact CD2-CG2 3.99Å; Y562-V599 HydrophobicContact CE2-CG2 3.98Å; I567-V599 HydrophobicContact CD1-CB 4.49Å; I567-V599 HydrophobicContact CD1-CG1 3.8Å; I567-V599 HydrophobicContact CD1-CG2 3.9Å; I567-V599 HydrophobicContact CG1-CG1 4.5Å; I567-V599 HydrophobicContact CG1-CG2 4.48Å; I567-V599 HydrophobicContact CG2-CG2 4.14Å; I594-V599 HydrophobicContact CD1-CG1 4.29Å; I594-V599 HydrophobicContact CG1-CG1 3.87Å; I594-V599 HydrophobicContact CG2-CG1 4.12Å; V599-N601 WeakPolarHBondContact CG2-O 3.46Å
600R98.4Very high97.7Very high42 Ų4232.6 Ų32.616%0.15816%0.162CC..SBendtrans-83.4-20.9-174.3-171.560.8-179.7179.3-4.5113.4R505 S549 L552 A553 F556 G557 Y559R505-R600 WeakPolarHBondContact CB-O 3.34Å; S549-R600 WeakPolarHBondContact O-CB 3.34Å; S549-R600 PolarHBondContact O-N 2.75Å; S549-R600 PolarHBondContact OG-N 3.41Å; L552-R600 HydrophobicContact CB-CB 3.64Å; L552-R600 HydrophobicContact CB-CG 3.91Å; A553-R600 HydrophobicContact CB-CB 4.43Å; F556-R600 PolarHBondContact O-NH1 3.41Å; G557-R600 WeakPolarHBondContact O-CD 3.43Å; G557-R600 PolarHBondContact O-NH1 3.12Å; Y559-R600 WeakPolarHBondContact CB-O 3.46Å
601N98.5Very high97.2Very high2 Ų234.6 Ų34.61%0.01118%0.179CC..  trans-126.3134.2-174.4-55.7100000110N484 R505 S549 V599 L604N484-N601 PolarHBondContact OD1-ND2 3.43Å; R505-N601 WeakPolarHBondContact O-CA 3.29Å; R505-N601 VanDerWaalsContact O-CB 3.23Å; R505-N601 WeakPolarHBondContact O-CB 3.42Å; R505-N601 PolarHBondContact O-ND2 3.22Å; S549-N601 PolarHBondContact OG-N 3Å; S549-N601 PolarHBondContact OG-OD1 3.39Å; V599-N601 WeakPolarHBondContact CG2-O 3.46Å; N601-L604 HydrophobicContact CB-CD2 3.77Å
602S98Very high96.8Very high2 Ų233.9 Ų33.91%0.01418%0.181CC..SBendtrans-71.9-31.8179.457.10000113.9N418 Q419 H504N418-S602 WeakPolarHBondContact CB-O 3.35Å; N418-S602 PolarHBondContact ND2-O 3.43Å; Q419-S602 PolarHBondContact NE2-OG 3.12Å; H504-S602 WeakPolarHBondContact O-CB 3.31Å; H504-S602 PolarHBondContact O-N 3.32Å; H504-S602 PolarHBondContact O-OG 3.39Å
603L98.5Very high96.6Very high0 Ų028.2 Ų28.20%016%0.155CC..  trans-141.8150.5-179.4-63.5169.3000108.9N418 Q419 V435 E436 P506 I507 D709 Q710N418-L603 HydrophobicContact CB-CD2 3.96Å; Q419-L603 HydrophobicContact CG-CD1 4.04Å; Q419-L603 HydrophobicContact CG-CG 4.22Å; V435-L603 WeakPolarHBondContact O-CD1 3Å; E436-L603 HydrophobicContact CG-CD1 3.78Å; P506-L603 HydrophobicContact CB-CB 4.16Å; I507-L603 WeakPolarHBondContact CG1-O 3.46Å; I507-L603 PolarHBondContact N-O 2.91Å; I507-L603 CarbonylContact O-C 3.45Å; L603-D709 WeakPolarHBondContact CA-OD2 3.38Å; L603-D709 HydrophobicContact CD2-CB 3.94Å; L603-Q710 HydrophobicContact CB-CG 3.86Å; L603-Q710 HydrophobicContact CD1-CG 4.05Å; L603-Q710 HydrophobicContact CD2-CG 4.43Å; L603-Q710 HydrophobicContact CG-CG 4.33Å
604L98.6Very high96.4Very high1 Ų124.3 Ų24.31%0.00514%0.139CC..  trans-133-41.9-164.4-66.3169.1000114.5I507 I509 Y542 A545 L546 N601 D709I507-L604 HydrophobicContact CD1-CD2 3.76Å; I507-L604 HydrophobicContact CG1-CD2 3.93Å; I507-L604 CarbonylContact O-C 3.52Å; I507-L604 WeakPolarHBondContact O-CA 3.42Å; I507-L604 PolarHBondContact O-N 3Å; I509-L604 WeakPolarHBondContact CB-O 3.47Å; I509-L604 WeakPolarHBondContact CG1-O 3.33Å; I509-L604 PolarHBondContact N-O 3.14Å; Y542-L604 HydrophobicContact CE2-CD1 4.48Å; A545-L604 HydrophobicContact CB-CB 4.02Å; A545-L604 HydrophobicContact CB-CD1 3.91Å; A545-L604 HydrophobicContact CB-CD2 4.26Å; A545-L604 HydrophobicContact CB-CG 4.3Å; L546-L604 HydrophobicContact CB-CD1 4.36Å; L546-L604 HydrophobicContact CD2-CD1 3.6Å; L546-L604 HydrophobicContact CG-CD1 3.74Å; N601-L604 HydrophobicContact CB-CD2 3.77Å; L604-D709 WeakPolarHBondContact CB-OD2 3.26Å; L604-D709 VanDerWaalsContact N-CG 3.3Å; L604-D709 PolarHBondContact N-OD1 3.1Å; L604-D709 VanDerWaalsContact N-OD1 3.13Å; L604-D709 PolarHBondContact N-OD2 3.26Å
605V98.6Very high96.1Very high0 Ų026.4 Ų26.40%015%0.148CC..BIsolated β-bridgetrans-123.1123.4-165.7-174.90000110.2I509 I541 Y542 I708 D709 Q710I509-V605 WeakPolarHBondContact O-CA 3.24Å; I509-V605 WeakPolarHBondContact O-CG1 3.18Å; I541-V605 HydrophobicContact CG2-CG1 4.44Å; I541-V605 HydrophobicContact CG2-CG2 4.11Å; Y542-V605 HydrophobicContact CD2-CG2 3.96Å; V605-I708 HydrophobicContact CG1-CB 4.49Å; V605-I708 HydrophobicContact CG1-CG1 3.91Å; V605-I708 WeakPolarHBondContact O-CG2 3.47Å; V605-D709 PolarHBondContact N-OD1 3.17Å; V605-D709 VanDerWaalsContact O-OD1 3.12Å; V605-Q710 WeakPolarHBondContact O-CB 3.34Å; V605-Q710 PolarHBondContact O-N 3.23Å
606A98.3Very high95.9Very high0 Ų022.9 Ų22.90%012%0.119CC..  trans-152.893.5-179.800000111.4E433 I434 I509 M608 Q710E433-A606 HydrophobicContact CG-CB 4.11Å; I434-A606 HydrophobicContact CD1-CB 3.43Å; I434-A606 VanDerWaalsContact CD1-CB 3.43Å; I509-A606 PolarHBondContact O-N 3.37Å; A606-M608 WeakPolarHBondContact O-CE 3.38Å; A606-M608 PolarHBondContact O-N 3.19Å; A606-Q710 HydrophobicContact CB-CB 3.75Å; A606-Q710 HydrophobicContact CB-CG 4Å
607P98.2Very high95.7Very high1 Ų116.3 Ų16.31%0.0069%0.091CC..  trans-66.6103.8179-25.538.6000112.6F538 I623 I708 S711 Q712 S713F538-P607 HydrophobicContact CE1-CG 3.61Å; F538-P607 HydrophobicContact CZ-CG 4.19Å; P607-I623 HydrophobicContact CB-CG2 4.4Å; P607-I708 HydrophobicContact CG-CD1 3.76Å; P607-I708 HydrophobicContact CG-CG1 4.35Å; P607-S711 VanDerWaalsContact CD-O 3.25Å; P607-S711 WeakPolarHBondContact CD-O 3.39Å; P607-Q712 HydrophobicContact CB-CB 4.1Å; P607-Q712 HydrophobicContact CG-CB 4.22Å; P607-S713 PolarHBondContact O-N 3.23Å
608M97.1Very high95.4Very high13 Ų1314.3 Ų14.36%0.0649%0.092CC..  trans-88.6164.4179.576.5-65.1-71.200112.6E433 L451 A452 A606 T610 A622E433-M608 HydrophobicContact CG-CB 3.92Å; L451-M608 HydrophobicContact CB-CE 3.93Å; L451-M608 HydrophobicContact CD1-CB 4.19Å; L451-M608 HydrophobicContact CD1-CE 4.23Å; L451-M608 HydrophobicContact CD1-CG 4.23Å; L451-M608 HydrophobicContact CD2-CE 3.59Å; L451-M608 HydrophobicContact CG-CE 4.12Å; A452-M608 VanDerWaalsContact O-CE 3.32Å; A452-M608 WeakPolarHBondContact O-CE 3.32Å; A606-M608 WeakPolarHBondContact O-CE 3.38Å; A606-M608 PolarHBondContact O-N 3.19Å; M608-T610 HydrophobicContact CG-CG2 4.19Å; M608-T610 PolarHBondContact O-N 2.83Å; M608-T610 HydrophobicContact SD-CG2 3.84Å; M608-A622 WeakPolarHBondContact O-CB 3.42Å
609P95.1Very high95.2Very high41 Ų4115.7 Ų15.727%0.26610%0.099SC..  trans-67.6131.7167.4-12.331000109.1C431 S713 Y743C431-P609 HydrophobicContact CB-CG 3.82Å; P609-S713 WeakPolarHBondContact CD-OG 3.47Å; P609-S713 WeakPolarHBondContact CG-OG 3.24Å; P609-Y743 HydrophobicContact CG-CD1 4.44Å; P609-Y743 HydrophobicContact CG-CE1 3.8Å
610T94.8Very high95Very high2 Ų216.8 Ų16.81%0.01211%0.105CC..  trans-110.127.6-176.245.30000112.7Q512 M608 S612 T613 A614 A622Q512-T610 HydrophobicContact CB-CG2 4.19Å; M608-T610 HydrophobicContact CG-CG2 4.19Å; M608-T610 PolarHBondContact O-N 2.83Å; M608-T610 HydrophobicContact SD-CG2 3.84Å; T610-S612 VanDerWaalsContact C-N 3.32Å; T610-S612 PolarHBondContact O-N 3.05Å; T610-T613 WeakPolarHBondContact CB-OG1 3.45Å; T610-T613 PolarHBondContact O-N 2.89Å; T610-T613 PolarHBondContact O-OG1 2.92Å; T610-A614 WeakPolarHBondContact O-CB 3.15Å; T610-A614 PolarHBondContact O-N 3.41Å; T610-A622 PolarHBondContact OG1-N 2.66Å
611A88.4Confident94.9Very high46 Ų4617.6 Ų17.638%0.3811%0.11SC..Hα-helixtrans-41.7-49.1-173.100000115.4E621A611-E621 WeakPolarHBondContact CA-OE2 3.24Å
612S88.4Confident94.8Very high41 Ų4117.7 Ų17.729%0.28711%0.112SC..Hα-helixtrans-83-42.4178.6-51.60000113.4Y157 T610 Q615 I616Y157-S612 VanDerWaalsContact OH-CB 3.23Å; Y157-S612 WeakPolarHBondContact OH-CB 2.91Å; T610-S612 VanDerWaalsContact C-N 3.32Å; T610-S612 PolarHBondContact O-N 3.05Å; S612-Q615 PolarHBondContact O-N 3.04Å; S612-I616 WeakPolarHBondContact O-CG1 3.26Å; S612-I616 PolarHBondContact O-N 3.06Å; S612-I616 VanDerWaalsContact O-N 3.09Å
613T93.9Very high94.7Very high10 Ų1018 Ų186%0.06111%0.113CC..Hα-helixtrans-74.8-36.5-173.847.30000112.6T201 L207 T610 Q615 I616 L617T201-T613 HydrophobicContact CG2-CG2 4.07Å; L207-T613 HydrophobicContact CD1-CG2 4.36Å; T610-T613 WeakPolarHBondContact CB-OG1 3.45Å; T610-T613 PolarHBondContact O-N 2.89Å; T610-T613 PolarHBondContact O-OG1 2.92Å; T613-Q615 VanDerWaalsContact C-N 3.34Å; T613-I616 PolarHBondContact O-N 3.28Å; T613-L617 PolarHBondContact O-N 2.91Å
614A94.1Very high94.6Very high1 Ų119.1 Ų19.11%0.00812%0.118CC..Hα-helixtrans-62.3-41.317100000111.4Q512 T610 I616 L617 G618 N619 E621Q512-A614 HydrophobicContact CB-CB 4.34Å; Q512-A614 VanDerWaalsContact OE1-CA 3.26Å; T610-A614 WeakPolarHBondContact O-CB 3.15Å; T610-A614 PolarHBondContact O-N 3.41Å; A614-I616 VanDerWaalsContact C-N 3.35Å; A614-I616 PolarHBondContact O-N 2.85Å; A614-L617 PolarHBondContact O-N 2.69Å; A614-G618 WeakPolarHBondContact O-CA 3.45Å; A614-G618 PolarHBondContact O-N 2.78Å; A614-N619 HydrophobicContact CB-CB 4.47Å; A614-N619 PolarHBondContact O-N 3.32Å; A614-E621 HydrophobicContact CB-CG 4.4Å
615Q90.7Very high94.5Very high45 Ų4519.2 Ų19.221%0.2112%0.119CC..Hα-helixtrans-62.7-39.9173.8-176.3177.1-15.900112.6G149 T152 S612 T613 G618G149-Q615 VanDerWaalsContact CA-O 3.23Å; G149-Q615 WeakPolarHBondContact CA-O 3.43Å; T152-Q615 PolarHBondContact OG1-NE2 3.22Å; S612-Q615 PolarHBondContact O-N 3.04Å; T613-Q615 VanDerWaalsContact C-N 3.34Å; Q615-G618 PolarHBondContact O-N 3.16Å
616I92.3Very high94.3Very high5 Ų520.2 Ų20.23%0.02612%0.123CC..Hα-helixtrans-61.7-47.9176-69.4164.1000110.6F145 T152 L153 Y157 S612 T613 A614 G618F145-I616 HydrophobicContact CD1-CG2 4.29Å; F145-I616 WeakPolarHBondContact CD1-O 3.36Å; F145-I616 HydrophobicContact CE1-CG2 3.91Å; T152-I616 HydrophobicContact CG2-CD1 4.13Å; T152-I616 HydrophobicContact CG2-CG1 3.8Å; L153-I616 HydrophobicContact CD1-CG2 3.97Å; L153-I616 HydrophobicContact CD2-CD1 3.74Å; L153-I616 HydrophobicContact CD2-CG1 4.05Å; L153-I616 HydrophobicContact CD2-CG2 3.89Å; L153-I616 HydrophobicContact CG-CD1 4.35Å; L153-I616 HydrophobicContact CG-CG1 4.12Å; L153-I616 HydrophobicContact CG-CG2 3.9Å; Y157-I616 HydrophobicContact CD1-CD1 4.41Å; Y157-I616 HydrophobicContact CD2-CD1 4.07Å; Y157-I616 HydrophobicContact CE1-CD1 4.07Å; Y157-I616 HydrophobicContact CE2-CD1 3.72Å; Y157-I616 HydrophobicContact CG-CD1 4.41Å; S612-I616 WeakPolarHBondContact O-CG1 3.26Å; S612-I616 PolarHBondContact O-N 3.06Å; S612-I616 VanDerWaalsContact O-N 3.09Å; T613-I616 PolarHBondContact O-N 3.28Å; A614-I616 VanDerWaalsContact C-N 3.35Å; A614-I616 PolarHBondContact O-N 2.85Å; I616-G618 VanDerWaalsContact C-N 3.31Å; I616-G618 PolarHBondContact O-N 3.3Å
617L94Very high94.1Very high13 Ų1322.7 Ų22.77%0.06814%0.139CC..Hα-helixtrans-74-24.5-179-61.9-164.2000112.9K198 T201 T613 A614K198-L617 HydrophobicContact CB-CD2 4.08Å; K198-L617 HydrophobicContact CD-CD2 4.2Å; K198-L617 HydrophobicContact CG-CD2 4Å; K198-L617 PolarHBondContact NZ-O 2.96Å; T201-L617 HydrophobicContact CG2-CD1 3.9Å; T201-L617 HydrophobicContact CG2-CG 4.29Å; T613-L617 PolarHBondContact O-N 2.91Å; A614-L617 PolarHBondContact O-N 2.69Å
618G91Very high93.9Very high32 Ų3223.5 Ų23.533%0.3314%0.144SC..THydrogen-bonded Turntrans90.926.3-17700000113.6A614 Q615 I616A614-G618 WeakPolarHBondContact O-CA 3.45Å; A614-G618 PolarHBondContact O-N 2.78Å; Q615-G618 PolarHBondContact O-N 3.16Å; I616-G618 VanDerWaalsContact C-N 3.31Å; I616-G618 PolarHBondContact O-N 3.3Å
619N94.2Very high93.7Very high33 Ų3322.9 Ų22.918%0.17614%0.141CC..  trans-104.3164-179-62.6-35.5000111.6S455 Q512 A614S455-N619 PolarHBondContact OG-ND2 3.31Å; Q512-N619 PolarHBondContact OE1-ND2 3.24Å; A614-N619 HydrophobicContact CB-CB 4.47Å; A614-N619 PolarHBondContact O-N 3.32Å
620N94.7Very high93.4Very high22 Ų2222.1 Ų22.112%0.11814%0.135CC..  trans-71.3155.3164.4-160.847.2000111.3G513 A515 D516 A622 E624 A625 Y626G513-N620 WeakPolarHBondContact CA-O 3.28Å; G513-N620 PolarHBondContact N-O 2.79Å; A515-N620 HydrophobicContact CB-CB 4.35Å; D516-N620 WeakPolarHBondContact OD2-CB 3.41Å; D516-N620 PolarHBondContact OD2-N 2.92Å; N620-A622 PolarHBondContact O-N 3.44Å; N620-E624 PolarHBondContact ND2-O 3.05Å; N620-A625 PolarHBondContact ND2-O 2.95Å; N620-Y626 HydrophobicContact CB-CD2 4.41Å; N620-Y626 HydrophobicContact CB-CE1 4.2Å; N620-Y626 HydrophobicContact CB-CE2 3.89Å
621E94.7Very high92.9Very high59 Ų5924.7 Ų24.728%0.27615%0.145SC..  trans-68.8127.8-174.9-63.8-170.6-149.500112.1A611 A614 I623 E624A611-E621 WeakPolarHBondContact CA-OE2 3.24Å; A614-E621 HydrophobicContact CB-CG 4.4Å; E621-I623 PolarHBondContact O-N 3.37Å; E621-E624 WeakPolarHBondContact O-CB 3.35Å; E621-E624 PolarHBondContact O-N 2.91Å
622A96.3Very high92.5Very high4 Ų426 Ų263%0.03315%0.148CC..THydrogen-bonded Turntrans46.5-121.8166.900000114.5V511 G513 L514 M608 T610 N620V511-A622 WeakPolarHBondContact O-CA 3.46Å; G513-A622 PolarHBondContact N-O 2.98Å; L514-A622 PolarHBondContact N-O 3.32Å; M608-A622 WeakPolarHBondContact O-CB 3.42Å; T610-A622 PolarHBondContact OG1-N 2.66Å; N620-A622 PolarHBondContact O-N 3.44Å
623I97.3Very high91.8Very high9 Ų927.7 Ų27.75%0.04615%0.148CC..THydrogen-bonded Turntrans-99.18.717851.9159.6000112.2V511 L514 F538 P607 E621 Q712 L714V511-I623 HydrophobicContact CG2-CG2 3.59Å; L514-I623 HydrophobicContact CD2-CB 3.95Å; L514-I623 HydrophobicContact CD2-CG2 4.12Å; F538-I623 HydrophobicContact CE2-CG2 4.31Å; F538-I623 HydrophobicContact CZ-CG2 3.76Å; P607-I623 HydrophobicContact CB-CG2 4.4Å; E621-I623 PolarHBondContact O-N 3.37Å; I623-Q712 HydrophobicContact CD1-CB 4.49Å; I623-Q712 HydrophobicContact CD1-CG 4.43Å; I623-L714 HydrophobicContact CD1-CD1 4.14Å
624E96.6Very high90.8Very high24 Ų2436.9 Ų36.911%0.11218%0.182CC..PPolyproline II helixtrans-81.4147.6-171.4-57.1-160.216600112A515 N620 E621 N715 Y717A515-E624 WeakPolarHBondContact CB-O 3.16Å; N620-E624 PolarHBondContact ND2-O 3.05Å; E621-E624 WeakPolarHBondContact O-CB 3.35Å; E621-E624 PolarHBondContact O-N 2.91Å; E624-N715 WeakPolarHBondContact OE1-CB 3.33Å; E624-N715 PolarHBondContact OE1-ND2 2.87Å; E624-Y717 PolarHBondContact OE2-OH 3.31Å
625A95.9Very high89.6Confident3 Ų338.4 Ų38.43%0.02519%0.191CC..PPolyproline II helixtrans-69.7159.2161.800000110.1F525 N620 T627 V689 I692F525-A625 HydrophobicContact CD2-CB 3.8Å; F525-A625 HydrophobicContact CE2-CB 3.76Å; F525-A625 HydrophobicContact CG-CB 4.27Å; F525-A625 HydrophobicContact CZ-CB 4.18Å; N620-A625 PolarHBondContact ND2-O 2.95Å; A625-T627 PolarHBondContact O-N 3.35Å; A625-V689 HydrophobicContact CB-CB 4.04Å; A625-V689 HydrophobicContact CB-CG2 4.15Å; A625-I692 HydrophobicContact CB-CD1 3.65Å
626Y95.1Very high88.3Confident20 Ų2044.4 Ų44.48%0.07822%0.223CC..PPolyproline II helixtrans-59.6123.2174.3-88.1-88.3000110.2A515 D516 I519 N620 S628 T688 V689A515-Y626 HydrophobicContact CB-CD2 3.75Å; A515-Y626 HydrophobicContact CB-CE2 3.96Å; D516-Y626 PolarHBondContact OD1-OH 3.28Å; I519-Y626 HydrophobicContact CD1-CD2 3.75Å; I519-Y626 HydrophobicContact CD1-CE2 3.65Å; N620-Y626 HydrophobicContact CB-CD2 4.41Å; N620-Y626 HydrophobicContact CB-CE1 4.2Å; N620-Y626 HydrophobicContact CB-CE2 3.89Å; Y626-S628 PolarHBondContact O-N 2.95Å; Y626-T688 CarbonylContact O-C 3.54Å; Y626-T688 WeakPolarHBondContact O-CA 3.36Å; Y626-V689 PolarHBondContact O-N 3.48Å
627T93.4Very high86.9Confident53 Ų5346.8 Ų46.833%0.32524%0.241SC..SBendtrans-69.6-27.9179.158.70000112.1A625 V689 W690 Y717A625-T627 PolarHBondContact O-N 3.35Å; T627-V689 HydrophobicContact CG2-CG1 4.28Å; T627-W690 PolarHBondContact O-NE1 2.79Å; T627-Y717 HydrophobicContact CG2-CE1 3.74Å; T627-Y717 WeakPolarHBondContact CG2-OH 3.01Å
628S93.5Very high85.9Confident17 Ų1747.7 Ų47.712%0.11925%0.252CS..  trans-160.5147.7174.8179.90000109.5Y626 L630 K669Y626-S628 PolarHBondContact O-N 2.95Å; S628-L630 WeakPolarHBondContact CB-O 3.42Å; S628-L630 PolarHBondContact OG-N 3.44Å; S628-L630 PolarHBondContact OG-O 2.76Å; S628-K669 PolarHBondContact OG-O 3.39Å
629N93.3Very high85.3Confident1 Ų151.7 Ų51.71%0.00526%0.263CS..SBendtrans-83.4-1.5169-58.5-67.4000113.5V643 N644 L647 G670 Y686N629-V643 CarbonylContact O-C 3.54Å; N629-V643 WeakPolarHBondContact O-CA 3.46Å; N629-N644 HydrophobicContact CB-CB 4.01Å; N629-N644 PolarHBondContact O-N 3.44Å; N629-N644 PolarHBondContact OD1-ND2 2.75Å; N629-N644 VanDerWaalsContact OD1-ND2 3.07Å; N629-L647 HydrophobicContact CB-CD2 3.61Å; N629-G670 VanDerWaalsContact CB-O 3.24Å; N629-G670 WeakPolarHBondContact CB-O 3.23Å; N629-G670 PolarHBondContact N-O 3.3Å; N629-G670 PolarHBondContact ND2-O 3.05Å; N629-Y686 PolarHBondContact ND2-O 2.83Å
630L89.1Confident84.5Confident25 Ų2550.8 Ų50.813%0.13126%0.257CS..EExtended strand (participates in β ladder)trans-137.1118.9173.2179.977.4000108.8S628 Q641 I642 V643 I665 V666S628-L630 WeakPolarHBondContact CB-O 3.42Å; S628-L630 PolarHBondContact OG-N 3.44Å; S628-L630 PolarHBondContact OG-O 2.76Å; L630-Q641 HydrophobicContact CD1-CB 4.48Å; L630-I642 WeakPolarHBondContact CA-O 3.34Å; L630-V643 HydrophobicContact CD1-CG2 3.81Å; L630-I665 HydrophobicContact CB-CG2 4.1Å; L630-V666 HydrophobicContact CD2-CB 4Å; L630-V666 HydrophobicContact CD2-CG1 4.43Å; L630-V666 HydrophobicContact CD2-CG2 3.47Å; L630-V666 VanDerWaalsContact CD2-CG2 3.47Å
631Y83.4Confident83.8Confident56 Ų5653.2 Ų53.222%0.2227%0.268CS..EExtended strand (participates in β ladder)trans-135.2148.6-179.150.2-91.2000111.3R633 I642Y631-R633 HydrophobicContact CD2-CG 4Å; Y631-R633 HydrophobicContact CE2-CG 4.13Å; Y631-I642 HydrophobicContact CD2-CB 3.96Å; Y631-I642 HydrophobicContact CD2-CD1 4.34Å; Y631-I642 HydrophobicContact CD2-CG2 4.47Å; Y631-I642 HydrophobicContact CE1-CG2 4.43Å; Y631-I642 HydrophobicContact CE2-CB 3.6Å; Y631-I642 HydrophobicContact CE2-CD1 3.81Å; Y631-I642 HydrophobicContact CE2-CG1 4.31Å; Y631-I642 HydrophobicContact CE2-CG2 3.65Å; Y631-I642 PolarHBondContact N-O 3.05Å; Y631-I642 PolarHBondContact O-N 3.32Å; Y631-I642 WeakPolarHBondContact OH-CG2 2.96Å
632T80Confident83.2Confident74 Ų7451.1 Ų51.145%0.45426%0.258SS..EExtended strand (participates in β ladder)trans-95.5125.5176.2-55.50000109.1E639 F640T632-E639 HydrophobicContact CG2-CB 3.67Å; T632-E639 HydrophobicContact CG2-CG 3.95Å; T632-F640 CarbonylContact C-O 3.51Å; T632-F640 WeakPolarHBondContact CA-O 3.38Å
633R75.1Confident82.7Confident75 Ų7551.2 Ų51.228%0.28326%0.258SS..EExtended strand (participates in β ladder)trans-104126.6171.5-72.1-66.9-177.8160.3-5.2110.2F148 Y631 E639 F640 I642F148-R633 HydrophobicContact CD1-CB 4.04Å; F148-R633 HydrophobicContact CD1-CG 4.43Å; F148-R633 HydrophobicContact CE1-CB 3.88Å; Y631-R633 HydrophobicContact CD2-CG 4Å; Y631-R633 HydrophobicContact CE2-CG 4.13Å; R633-E639 WeakPolarHBondContact O-CA 3.47Å; R633-F640 PolarHBondContact N-O 2.75Å; R633-F640 PolarHBondContact O-N 3.06Å; R633-I642 HydrophobicContact CB-CD1 3.77Å; R633-I642 HydrophobicContact CG-CD1 3.31Å; R633-I642 HydrophobicContact CG-CG1 4.41Å
634R72.2Confident82.3Confident204 Ų20450.8 Ų50.877%0.7726%0.256SS*.EExtended strand (participates in β ladder)trans-85.4129.5170.7-75.8173.8179.8-176.8-1.4110.1E639R634-E639 HydrophobicContact CG-CG 3.6Å; R634-E639 IonicContact CZ-OE1 2.93Å; R634-E639 IonicContact NE-OE1 3.9Å; R634-E639 PolarHBondContact NE-OE1 3.16Å; R634-E639 IonicContact NH2-OE1 2.88Å; R634-E639 PolarHBondContact NH2-OE1 3.31Å
635V69.2Low81.9Confident33 Ų3352.9 Ų52.920%0.227%0.266CS..EExtended strand (participates in β ladder)trans-132.6160.2178.8-102.10000106.2F148 S637 G638 F640F148-V635 HydrophobicContact CD1-CG1 3.96Å; F148-V635 HydrophobicContact CE1-CG1 4.07Å; V635-S637 WeakPolarHBondContact CG2-OG 3.48Å; V635-S637 PolarHBondContact O-N 2.86Å; V635-S637 VanDerWaalsContact O-N 3.1Å; V635-G638 PolarHBondContact N-O 2.94Å; V635-G638 PolarHBondContact O-N 2.95Å; V635-G638 VanDerWaalsContact O-O 3.06Å; V635-F640 HydrophobicContact CB-CD2 4.07Å; V635-F640 HydrophobicContact CB-CE2 3.9Å; V635-F640 HydrophobicContact CG2-CD2 4.16Å; V635-F640 HydrophobicContact CG2-CE2 3.48Å; V635-F640 VanDerWaalsContact CG2-CE2 3.48Å; V635-F640 HydrophobicContact CG2-CZ 4.32Å
636L63.3Low81.7Confident170 Ų17054.3 Ų54.389%0.8927%0.272SS*.THydrogen-bonded Turntrans-56.3-30.2-176.8-74.1171.1000113
637S63Low81.6Confident56 Ų5653.3 Ų53.339%0.39227%0.268SS..THydrogen-bonded Turntrans-85.8-2.7176.536.80000115.8E64 V635E64-S637 WeakPolarHBondContact OE1-CB 3.42Å; E64-S637 PolarHBondContact OE1-OG 3.25Å; V635-S637 WeakPolarHBondContact CG2-OG 3.48Å; V635-S637 PolarHBondContact O-N 2.86Å; V635-S637 VanDerWaalsContact O-N 3.1Å
638G73Confident81.4Confident31 Ų3151 Ų5132%0.3225%0.254SS..EExtended strand (participates in β ladder)trans141.4-163174.800000115.2V635V635-G638 PolarHBondContact N-O 2.94Å; V635-G638 PolarHBondContact O-N 2.95Å; V635-G638 VanDerWaalsContact O-O 3.06Å
639E77.9Confident81.2Confident116 Ų11655 Ų5554%0.54227%0.269SS..EExtended strand (participates in β ladder)trans-101.2125.7179.6-77-174.1-177.900111.2T632 R633 R634T632-E639 HydrophobicContact CG2-CB 3.67Å; T632-E639 HydrophobicContact CG2-CG 3.95Å; R633-E639 WeakPolarHBondContact O-CA 3.47Å; R634-E639 HydrophobicContact CG-CG 3.6Å; R634-E639 IonicContact CZ-OE1 2.93Å; R634-E639 IonicContact NE-OE1 3.9Å; R634-E639 PolarHBondContact NE-OE1 3.16Å; R634-E639 IonicContact NH2-OE1 2.88Å; R634-E639 PolarHBondContact NH2-OE1 3.31Å
640F78.4Confident81.2Confident14 Ų1455.4 Ų55.46%0.06127%0.271CS..EExtended strand (participates in β ladder)trans-113.3125.3179.6-65.2-99.8000109.7A67 T68 F148 T632 R633 V635A67-F640 HydrophobicContact CB-CD1 4.03Å; A67-F640 HydrophobicContact CB-CE1 3.73Å; T68-F640 HydrophobicContact CG2-CD1 4Å; T68-F640 HydrophobicContact CG2-CE1 3.49Å; T68-F640 VanDerWaalsContact CG2-CE1 3.49Å; T68-F640 HydrophobicContact CG2-CZ 4.39Å; F148-F640 HydrophobicContact CE1-CB 4.06Å; F148-F640 HydrophobicContact CE1-CD2 4.25Å; F148-F640 HydrophobicContact CE1-CG 4.17Å; F148-F640 HydrophobicContact CZ-CB 3.77Å; F148-F640 HydrophobicContact CZ-CG 4.06Å; T632-F640 CarbonylContact C-O 3.51Å; T632-F640 WeakPolarHBondContact CA-O 3.38Å; R633-F640 PolarHBondContact N-O 2.75Å; R633-F640 PolarHBondContact O-N 3.06Å; V635-F640 HydrophobicContact CB-CD2 4.07Å; V635-F640 HydrophobicContact CB-CE2 3.9Å; V635-F640 HydrophobicContact CG2-CD2 4.16Å; V635-F640 HydrophobicContact CG2-CE2 3.48Å; V635-F640 VanDerWaalsContact CG2-CE2 3.48Å; V635-F640 HydrophobicContact CG2-CZ 4.32Å
641Q79.7Confident81.3Confident74 Ų7454.2 Ų54.235%0.34627%0.265SS..EExtended strand (participates in β ladder)trans-79.3126.4169.7-69.6-175.2-5.400109.9L630L630-Q641 HydrophobicContact CD1-CB 4.48Å
642I81.7Confident81.6Confident14 Ų1453.1 Ų53.17%0.07226%0.264CS..EExtended strand (participates in β ladder)trans-123.9127.7-178.8-55.9173000108.4F148 L630 Y631 R633F148-I642 HydrophobicContact CD1-CD1 4.33Å; F148-I642 HydrophobicContact CD2-CD1 3.5Å; F148-I642 HydrophobicContact CE1-CD1 3.99Å; F148-I642 HydrophobicContact CE2-CD1 3.11Å; F148-I642 HydrophobicContact CE2-CG1 3.79Å; F148-I642 HydrophobicContact CG-CD1 4.12Å; F148-I642 HydrophobicContact CZ-CD1 3.39Å; F148-I642 HydrophobicContact CZ-CG1 3.94Å; L630-I642 WeakPolarHBondContact CA-O 3.34Å; Y631-I642 HydrophobicContact CD2-CB 3.96Å; Y631-I642 HydrophobicContact CD2-CD1 4.34Å; Y631-I642 HydrophobicContact CD2-CG2 4.47Å; Y631-I642 HydrophobicContact CE1-CG2 4.43Å; Y631-I642 HydrophobicContact CE2-CB 3.6Å; Y631-I642 HydrophobicContact CE2-CD1 3.81Å; Y631-I642 HydrophobicContact CE2-CG1 4.31Å; Y631-I642 HydrophobicContact CE2-CG2 3.65Å; Y631-I642 PolarHBondContact N-O 3.05Å; Y631-I642 PolarHBondContact O-N 3.32Å; Y631-I642 WeakPolarHBondContact OH-CG2 2.96Å; R633-I642 HydrophobicContact CB-CD1 3.77Å; R633-I642 HydrophobicContact CG-CD1 3.31Å; R633-I642 HydrophobicContact CG-CG1 4.41Å
643V85.7Confident82Confident6 Ų656.9 Ų56.94%0.03628%0.276CS..EExtended strand (participates in β ladder)trans-87.9145.2171.3-174.70000108N629 L630 Q645 L647 M648 W657N629-V643 CarbonylContact O-C 3.54Å; N629-V643 WeakPolarHBondContact O-CA 3.46Å; L630-V643 HydrophobicContact CD1-CG2 3.81Å; V643-Q645 PolarHBondContact O-N 2.89Å; V643-Q645 VanDerWaalsContact O-N 3.1Å; V643-L647 HydrophobicContact CG1-CD2 4.45Å; V643-M648 HydrophobicContact CB-CE 4.26Å; V643-M648 HydrophobicContact CB-SD 4.43Å; V643-M648 HydrophobicContact CG1-CB 4.13Å; V643-M648 HydrophobicContact CG2-CE 4.19Å; V643-W657 HydrophobicContact CG1-CH2 4.19Å; V643-W657 HydrophobicContact CG1-CZ3 4.48Å; V643-W657 HydrophobicContact CG2-CH2 3.83Å; V643-W657 HydrophobicContact CG2-CZ2 4.28Å
644N89.7Confident82.8Confident0 Ų057.2 Ų57.20%028%0.284CS..  trans-50.2119.7170.3178.9-15.9000109.2N629 H646 L647 M648N629-N644 HydrophobicContact CB-CB 4.01Å; N629-N644 PolarHBondContact O-N 3.44Å; N629-N644 PolarHBondContact OD1-ND2 2.75Å; N629-N644 VanDerWaalsContact OD1-ND2 3.07Å; N644-H646 VanDerWaalsContact C-N 3.26Å; N644-H646 PolarHBondContact O-N 2.96Å; N644-H646 PolarHBondContact OD1-CD2 3.37Å; N644-H646 PolarHBondContact OD1-N 2.8Å; N644-H646 VanDerWaalsContact OD1-N 3.1Å; N644-L647 HydrophobicContact CB-CB 4.05Å; N644-L647 PolarHBondContact O-N 3.36Å; N644-M648 WeakPolarHBondContact O-CB 3.48Å; N644-M648 PolarHBondContact O-N 2.8Å
645Q87.4Confident83.6Confident69 Ų6950.8 Ų50.832%0.32228%0.28SS..Hα-helixtrans-63.7-34.1-170.7-64.4-1806.500112V643 K649V643-Q645 PolarHBondContact O-N 2.89Å; V643-Q645 VanDerWaalsContact O-N 3.1Å; Q645-K649 VanDerWaalsContact O-CG 3.28Å; Q645-K649 WeakPolarHBondContact O-CG 3.43Å; Q645-K649 PolarHBondContact O-N 3.33Å
646H91.3Very high84.7Confident32 Ų3251.4 Ų51.415%0.14828%0.282CS..Hα-helixtrans-69.1-47.1177.6-53.9-66.8000111D516 I519 N644 M648 K649 D650 Y686D516-H646 IonicContact OD1-CD2 3.76Å; D516-H646 PolarHBondContact OD1-CD2 2.93Å; D516-H646 IonicContact OD1-CE1 2.69Å; D516-H646 IonicContact OD1-NE2 2.98Å; D516-H646 PolarHBondContact OD1-NE2 3.22Å; I519-H646 HydrophobicContact CG2-CB 3.54Å; N644-H646 VanDerWaalsContact C-N 3.26Å; N644-H646 PolarHBondContact O-N 2.96Å; N644-H646 PolarHBondContact OD1-CD2 3.37Å; N644-H646 PolarHBondContact OD1-N 2.8Å; N644-H646 VanDerWaalsContact OD1-N 3.1Å; H646-M648 VanDerWaalsContact C-N 3.32Å; H646-M648 PolarHBondContact O-N 3.1Å; H646-K649 PolarHBondContact O-N 3.32Å; H646-D650 PolarHBondContact O-N 3.2Å; H646-Y686 HydrophobicContact CB-CE1 3.92Å; H646-Y686 WeakPolarHBondContact CB-OH 3.35Å; H646-Y686 PolarHBondContact O-OH 3.43Å
647L93.6Very high86Confident0 Ų045.2 Ų45.20%025%0.247CC..Hα-helixtrans-58.2-47.7175.5173.566.6000110.4N629 V643 N644 K649 D650 L651 I665 V672 I682 Y686N629-L647 HydrophobicContact CB-CD2 3.61Å; V643-L647 HydrophobicContact CG1-CD2 4.45Å; N644-L647 HydrophobicContact CB-CB 4.05Å; N644-L647 PolarHBondContact O-N 3.36Å; L647-K649 VanDerWaalsContact C-N 3.32Å; L647-K649 PolarHBondContact O-N 3.36Å; L647-D650 PolarHBondContact O-N 2.94Å; L647-L651 HydrophobicContact CD1-CD1 3.82Å; L647-L651 HydrophobicContact CD1-CD2 4.23Å; L647-L651 HydrophobicContact CD1-CG 3.88Å; L647-L651 HydrophobicContact CD2-CD1 4.3Å; L647-L651 HydrophobicContact CG-CD1 3.75Å; L647-L651 HydrophobicContact CG-CG 4.17Å; L647-L651 VanDerWaalsContact O-CG 3.24Å; L647-L651 WeakPolarHBondContact O-CG 3.36Å; L647-L651 PolarHBondContact O-N 2.88Å; L647-I665 HydrophobicContact CD2-CD1 4.46Å; L647-V672 HydrophobicContact CD1-CG1 4.28Å; L647-V672 HydrophobicContact CD2-CG1 3.65Å; L647-I682 HydrophobicContact CD1-CG2 4.02Å; L647-Y686 VanDerWaalsContact CA-CZ 3.46Å; L647-Y686 HydrophobicContact CB-CD1 3.85Å; L647-Y686 HydrophobicContact CB-CD2 4.3Å; L647-Y686 HydrophobicContact CB-CE1 3.77Å; L647-Y686 HydrophobicContact CB-CE2 4.24Å; L647-Y686 HydrophobicContact CB-CG 4.12Å; L647-Y686 HydrophobicContact CD1-CD1 4.42Å; L647-Y686 HydrophobicContact CD1-CD2 3.48Å; L647-Y686 VanDerWaalsContact CD1-CD2 3.48Å; L647-Y686 HydrophobicContact CD1-CE2 3.84Å; L647-Y686 HydrophobicContact CD1-CG 3.81Å; L647-Y686 HydrophobicContact CG-CD2 4.46Å; L647-Y686 HydrophobicContact CG-CG 4.45Å; L647-Y686 PolarHBondContact N-OH 2.9Å
648M89.6Confident87.1Confident4 Ų446.3 Ų46.32%0.0225%0.249CC..Hα-helixtrans-60.1-42.9-178.9-170.1177.2-128.400111.8A70 S71 P74 V643 N644 H646 L651 V652 W657A70-M648 WeakPolarHBondContact O-CE 3.32Å; S71-M648 VanDerWaalsContact O-CE 3.29Å; S71-M648 WeakPolarHBondContact O-CE 3.47Å; P74-M648 HydrophobicContact CB-SD 4Å; P74-M648 VanDerWaalsContact CD-SD 3.54Å; P74-M648 HydrophobicContact CG-CG 4.4Å; P74-M648 HydrophobicContact CG-SD 4.21Å; V643-M648 HydrophobicContact CB-CE 4.26Å; V643-M648 HydrophobicContact CB-SD 4.43Å; V643-M648 HydrophobicContact CG1-CB 4.13Å; V643-M648 HydrophobicContact CG2-CE 4.19Å; N644-M648 WeakPolarHBondContact O-CB 3.48Å; N644-M648 PolarHBondContact O-N 2.8Å; H646-M648 VanDerWaalsContact C-N 3.32Å; H646-M648 PolarHBondContact O-N 3.1Å; M648-L651 PolarHBondContact O-N 2.71Å; M648-V652 WeakPolarHBondContact O-CB 3.5Å; M648-V652 VanDerWaalsContact O-CG2 3.24Å; M648-V652 WeakPolarHBondContact O-CG2 3.39Å; M648-V652 PolarHBondContact O-N 2.86Å; M648-W657 HydrophobicContact CE-CD2 4.46Å; M648-W657 VanDerWaalsContact CE-CE2 3.47Å; M648-W657 HydrophobicContact CE-CH2 4.04Å; M648-W657 HydrophobicContact CE-CZ2 3.23Å
649K88.9Confident87.6Confident100 Ų10048.9 Ų48.944%0.43525%0.252SS..Hα-helixtrans-59.3-48.5175-75.9174.7179.9-1770111.7P74 Q645 H646 L647 L651 V652 E653P74-K649 HydrophobicContact CG-CG 4.31Å; Q645-K649 VanDerWaalsContact O-CG 3.28Å; Q645-K649 WeakPolarHBondContact O-CG 3.43Å; Q645-K649 PolarHBondContact O-N 3.33Å; H646-K649 PolarHBondContact O-N 3.32Å; L647-K649 VanDerWaalsContact C-N 3.32Å; L647-K649 PolarHBondContact O-N 3.36Å; K649-L651 VanDerWaalsContact C-N 3.34Å; K649-L651 PolarHBondContact O-N 2.83Å; K649-V652 PolarHBondContact O-N 3.2Å; K649-E653 WeakPolarHBondContact O-CB 3.49Å; K649-E653 WeakPolarHBondContact O-CG 3.45Å; K649-E653 PolarHBondContact O-N 2.91Å
650D92.2Very high88.2Confident10 Ų1046.7 Ų46.75%0.05325%0.247CC..Hα-helixtrans-59.6-43.3177.1-76.3-23.6000112.6R522 H646 L647 V652 E653 L654 I682 Y686R522-D650 IonicContact CZ-OD1 3.59Å; R522-D650 VanDerWaalsContact CZ-OD1 3.25Å; R522-D650 IonicContact CZ-OD2 3.39Å; R522-D650 IonicContact NH1-OD1 3.17Å; R522-D650 PolarHBondContact NH1-OD1 3.2Å; R522-D650 IonicContact NH1-OD2 3.83Å; R522-D650 PolarHBondContact NH1-OD2 3.43Å; R522-D650 IonicContact NH2-OD1 2.74Å; R522-D650 PolarHBondContact NH2-OD1 2.98Å; R522-D650 IonicContact NH2-OD2 3.59Å; H646-D650 PolarHBondContact O-N 3.2Å; L647-D650 PolarHBondContact O-N 2.94Å; D650-V652 VanDerWaalsContact C-N 3.32Å; D650-V652 PolarHBondContact O-N 3.42Å; D650-E653 PolarHBondContact O-N 2.64Å; D650-L654 WeakPolarHBondContact O-CB 3.45Å; D650-L654 WeakPolarHBondContact O-CG 3.36Å; D650-L654 PolarHBondContact O-N 2.77Å; D650-I682 HydrophobicContact CB-CD1 4.3Å; D650-Y686 HydrophobicContact CB-CE2 4.49Å; D650-Y686 WeakPolarHBondContact OD2-CE2 3.23Å; D650-Y686 VanDerWaalsContact OD2-CZ 3.25Å; D650-Y686 PolarHBondContact OD2-OH 3.21Å
651L93Very high88.7Confident0 Ų046.4 Ų46.40%025%0.246CC..Hα-helixtrans-68.5-32.3-179.8-63.9177.4000112.2L647 M648 K649 G655 I656 W657 L661 I665 I678L647-L651 HydrophobicContact CD1-CD1 3.82Å; L647-L651 HydrophobicContact CD1-CD2 4.23Å; L647-L651 HydrophobicContact CD1-CG 3.88Å; L647-L651 HydrophobicContact CD2-CD1 4.3Å; L647-L651 HydrophobicContact CG-CD1 3.75Å; L647-L651 HydrophobicContact CG-CG 4.17Å; L647-L651 VanDerWaalsContact O-CG 3.24Å; L647-L651 WeakPolarHBondContact O-CG 3.36Å; L647-L651 PolarHBondContact O-N 2.88Å; M648-L651 PolarHBondContact O-N 2.71Å; K649-L651 VanDerWaalsContact C-N 3.34Å; K649-L651 PolarHBondContact O-N 2.83Å; L651-G655 PolarHBondContact O-N 3.17Å; L651-I656 HydrophobicContact CB-CG1 4.31Å; L651-I656 HydrophobicContact CD2-CD1 3.59Å; L651-I656 HydrophobicContact CD2-CG1 3.96Å; L651-I656 PolarHBondContact O-N 3.09Å; L651-I656 VanDerWaalsContact O-N 3.08Å; L651-W657 HydrophobicContact CB-CB 4.13Å; L651-W657 HydrophobicContact CB-CE3 3.99Å; L651-W657 HydrophobicContact CD1-CE3 3.6Å; L651-W657 HydrophobicContact CD1-CZ3 3.77Å; L651-W657 HydrophobicContact CG-CE3 4.46Å; L651-W657 PolarHBondContact O-N 3.1Å; L651-W657 VanDerWaalsContact O-N 3.17Å; L651-L661 HydrophobicContact CD1-CD2 4.04Å; L651-L661 HydrophobicContact CD2-CD2 4.24Å; L651-I665 HydrophobicContact CD1-CD1 4.13Å; L651-I678 HydrophobicContact CD2-CD1 4.09Å; L651-I678 HydrophobicContact CD2-CG1 4.02Å; L651-I678 HydrophobicContact CD2-CG2 4.25Å
652V89.1Confident89.1Confident34 Ų3444 Ų4421%0.20623%0.234CC..Hα-helixtrans-70.9-45.8173.2169.80000110.5M648 K649 D650 L654 G655 W657M648-V652 WeakPolarHBondContact O-CB 3.5Å; M648-V652 VanDerWaalsContact O-CG2 3.24Å; M648-V652 WeakPolarHBondContact O-CG2 3.39Å; M648-V652 PolarHBondContact O-N 2.86Å; K649-V652 PolarHBondContact O-N 3.2Å; D650-V652 VanDerWaalsContact C-N 3.32Å; D650-V652 PolarHBondContact O-N 3.42Å; V652-L654 VanDerWaalsContact C-N 3.26Å; V652-L654 PolarHBondContact O-N 3.41Å; V652-G655 WeakPolarHBondContact O-CA 3.38Å; V652-G655 PolarHBondContact O-N 3.03Å; V652-W657 HydrophobicContact CG2-CB 3.77Å; V652-W657 HydrophobicContact CG2-CG 3.88Å
653E88.2Confident89.3Confident152 Ų15245.7 Ų45.771%0.7124%0.244SC*.Hα-helixtrans-62.3-33.6176.4-74175-167.200112.4K649 D650 G655K649-E653 WeakPolarHBondContact O-CB 3.49Å; K649-E653 WeakPolarHBondContact O-CG 3.45Å; K649-E653 PolarHBondContact O-N 2.91Å; D650-E653 PolarHBondContact O-N 2.64Å; E653-G655 PolarHBondContact O-N 3.2Å
654L91.2Very high89.5Confident83 Ų8346.2 Ų46.244%0.43525%0.248SC..THydrogen-bonded Turntrans-76.2-8172.5-71.5171.5000113.7D650 V652 I656 P679 I682D650-L654 WeakPolarHBondContact O-CB 3.45Å; D650-L654 WeakPolarHBondContact O-CG 3.36Å; D650-L654 PolarHBondContact O-N 2.77Å; V652-L654 VanDerWaalsContact C-N 3.26Å; V652-L654 PolarHBondContact O-N 3.41Å; L654-I656 HydrophobicContact CB-CD1 4.32Å; L654-I656 HydrophobicContact CB-CG1 4Å; L654-I656 HydrophobicContact CD1-CD1 4.31Å; L654-I656 PolarHBondContact O-N 2.81Å; L654-P679 HydrophobicContact CD1-CG 4.15Å; L654-I682 HydrophobicContact CD1-CG1 3.97Å
655G90.4Very high89.6Confident68 Ų6846.3 Ų46.370%0.70125%0.249SC*.THydrogen-bonded Turntrans70.113.6-179.600000115L651 V652 E653L651-G655 PolarHBondContact O-N 3.17Å; V652-G655 WeakPolarHBondContact O-CA 3.38Å; V652-G655 PolarHBondContact O-N 3.03Å; E653-G655 PolarHBondContact O-N 3.2Å
656I91.6Very high89.6Confident47 Ų4743.6 Ų43.624%0.24124%0.237CC..  trans-100.8-8.6-176.361.3174.8000113.5L651 L654 N658 L661 I678L651-I656 HydrophobicContact CB-CG1 4.31Å; L651-I656 HydrophobicContact CD2-CD1 3.59Å; L651-I656 HydrophobicContact CD2-CG1 3.96Å; L651-I656 PolarHBondContact O-N 3.09Å; L651-I656 VanDerWaalsContact O-N 3.08Å; L654-I656 HydrophobicContact CB-CD1 4.32Å; L654-I656 HydrophobicContact CB-CG1 4Å; L654-I656 HydrophobicContact CD1-CD1 4.31Å; L654-I656 PolarHBondContact O-N 2.81Å; I656-N658 PolarHBondContact O-N 3.2Å; I656-N658 PolarHBondContact O-ND2 2.78Å; I656-L661 HydrophobicContact CB-CD2 4.45Å; I656-L661 HydrophobicContact CD1-CD2 4.31Å; I656-L661 HydrophobicContact CG1-CD2 4.09Å; I656-L661 WeakPolarHBondContact O-CD2 3.46Å; I656-I678 HydrophobicContact CD1-CG1 4.36Å
657W89.5Confident89.4Confident39 Ų3943.6 Ų43.615%0.14824%0.243CC..  trans-68.2116.4-179.8-175.3-107.4000112.6S71 K72 V643 M648 L651 V652 L661 K662 I665S71-W657 WeakPolarHBondContact O-CZ2 3.02Å; K72-W657 PolarHBondContact O-NE1 3.35Å; V643-W657 HydrophobicContact CG1-CH2 4.19Å; V643-W657 HydrophobicContact CG1-CZ3 4.48Å; V643-W657 HydrophobicContact CG2-CH2 3.83Å; V643-W657 HydrophobicContact CG2-CZ2 4.28Å; M648-W657 HydrophobicContact CE-CD2 4.46Å; M648-W657 VanDerWaalsContact CE-CE2 3.47Å; M648-W657 HydrophobicContact CE-CH2 4.04Å; M648-W657 HydrophobicContact CE-CZ2 3.23Å; L651-W657 HydrophobicContact CB-CB 4.13Å; L651-W657 HydrophobicContact CB-CE3 3.99Å; L651-W657 HydrophobicContact CD1-CE3 3.6Å; L651-W657 HydrophobicContact CD1-CZ3 3.77Å; L651-W657 HydrophobicContact CG-CE3 4.46Å; L651-W657 PolarHBondContact O-N 3.1Å; L651-W657 VanDerWaalsContact O-N 3.17Å; V652-W657 HydrophobicContact CG2-CB 3.77Å; V652-W657 HydrophobicContact CG2-CG 3.88Å; W657-L661 HydrophobicContact CE3-CD2 4.34Å; W657-K662 HydrophobicContact CH2-CB 3.74Å; W657-K662 HydrophobicContact CH2-CD 4.46Å; W657-K662 HydrophobicContact CH2-CG 4.08Å; W657-K662 HydrophobicContact CZ2-CB 3.95Å; W657-K662 HydrophobicContact CZ2-CD 4.12Å; W657-K662 HydrophobicContact CZ2-CG 4.23Å; W657-K662 HydrophobicContact CZ3-CB 4.47Å; W657-I665 HydrophobicContact CH2-CD1 4.49Å; W657-I665 HydrophobicContact CZ3-CD1 3.83Å
658N87Confident89.1Confident79 Ų7947.3 Ų47.342%0.42226%0.26SS..SBendtrans-153.1171.6175.659.350.9000111I656 T660 L661 K662I656-N658 PolarHBondContact O-N 3.2Å; I656-N658 PolarHBondContact O-ND2 2.78Å; N658-T660 PolarHBondContact O-N 2.81Å; N658-T660 WeakPolarHBondContact OD1-CA 3.33Å; N658-T660 VanDerWaalsContact OD1-CB 3.25Å; N658-T660 WeakPolarHBondContact OD1-CB 3.28Å; N658-T660 PolarHBondContact OD1-N 3.39Å; N658-T660 VanDerWaalsContact OD1-N 3.1Å; N658-L661 PolarHBondContact O-N 3.28Å; N658-L661 PolarHBondContact OD1-N 3.37Å; N658-K662 PolarHBondContact O-N 2.73Å
659E84.6Confident89Confident85 Ų8551.6 Ų51.640%0.39728%0.278SS..Hα-helixtrans-61.5-31-179.2-68.1-68.716700112.6K662 N663E659-K662 PolarHBondContact O-N 2.84Å; E659-K662 IonicContact OE1-NZ 2.65Å; E659-K662 IonicContact OE2-NZ 2.69Å; E659-K662 PolarHBondContact OE2-NZ 3.2Å; E659-N663 WeakPolarHBondContact O-CB 3.44Å; E659-N663 PolarHBondContact O-N 3.43Å; E659-N663 PolarHBondContact O-ND2 3.16Å
660T88.5Confident89Confident71 Ų7146.8 Ų46.844%0.43626%0.258SS..Hα-helixtrans-64.3-48.1175.4-53.90000111.2N658 K662 N663 A664 N766N658-T660 PolarHBondContact O-N 2.81Å; N658-T660 WeakPolarHBondContact OD1-CA 3.33Å; N658-T660 VanDerWaalsContact OD1-CB 3.25Å; N658-T660 WeakPolarHBondContact OD1-CB 3.28Å; N658-T660 PolarHBondContact OD1-N 3.39Å; N658-T660 VanDerWaalsContact OD1-N 3.1Å; T660-K662 VanDerWaalsContact C-N 3.35Å; T660-N663 PolarHBondContact O-N 3.25Å; T660-A664 PolarHBondContact O-N 3.01Å; T660-N766 VanDerWaalsContact CG2-ND2 3.27Å; T660-N766 WeakPolarHBondContact CG2-ND2 3.34Å
661L90.2Very high89.1Confident7 Ų747 Ų474%0.03726%0.259CS..Hα-helixtrans-64.3-41.6178-177.458.7000111.1L651 I656 W657 N658 N663 A664 I665 I675 I678L651-L661 HydrophobicContact CD1-CD2 4.04Å; L651-L661 HydrophobicContact CD2-CD2 4.24Å; I656-L661 HydrophobicContact CB-CD2 4.45Å; I656-L661 HydrophobicContact CD1-CD2 4.31Å; I656-L661 HydrophobicContact CG1-CD2 4.09Å; I656-L661 WeakPolarHBondContact O-CD2 3.46Å; W657-L661 HydrophobicContact CE3-CD2 4.34Å; N658-L661 PolarHBondContact O-N 3.28Å; N658-L661 PolarHBondContact OD1-N 3.37Å; L661-N663 PolarHBondContact O-N 3.47Å; L661-A664 WeakPolarHBondContact O-CB 3.23Å; L661-A664 PolarHBondContact O-N 2.83Å; L661-I665 HydrophobicContact CG-CD1 4.39Å; L661-I665 WeakPolarHBondContact O-CG1 3.41Å; L661-I665 PolarHBondContact O-N 2.92Å; L661-I675 HydrophobicContact CD1-CG2 3.61Å; L661-I678 HydrophobicContact CD1-CD1 4.08Å; L661-I678 HydrophobicContact CD1-CG1 4.08Å
662K86.9Confident89.1Confident23 Ų2347 Ų4710%0.126%0.259CS..Hα-helixtrans-58.2-47.6173.2176.2178.8152.3-157.90111.5S71 W657 N658 E659 T660 A664 I665 V666S71-K662 PolarHBondContact OG-NZ 3.47Å; S71-K662 VanDerWaalsContact OG-NZ 3.15Å; W657-K662 HydrophobicContact CH2-CB 3.74Å; W657-K662 HydrophobicContact CH2-CD 4.46Å; W657-K662 HydrophobicContact CH2-CG 4.08Å; W657-K662 HydrophobicContact CZ2-CB 3.95Å; W657-K662 HydrophobicContact CZ2-CD 4.12Å; W657-K662 HydrophobicContact CZ2-CG 4.23Å; W657-K662 HydrophobicContact CZ3-CB 4.47Å; N658-K662 PolarHBondContact O-N 2.73Å; E659-K662 PolarHBondContact O-N 2.84Å; E659-K662 IonicContact OE1-NZ 2.65Å; E659-K662 IonicContact OE2-NZ 2.69Å; E659-K662 PolarHBondContact OE2-NZ 3.2Å; T660-K662 VanDerWaalsContact C-N 3.35Å; K662-A664 VanDerWaalsContact C-N 3.28Å; K662-A664 PolarHBondContact O-N 3.13Å; K662-I665 PolarHBondContact O-N 3.36Å; K662-I665 VanDerWaalsContact O-N 3.15Å; K662-V666 VanDerWaalsContact O-CG2 3.23Å; K662-V666 WeakPolarHBondContact O-CG2 3.15Å; K662-V666 PolarHBondContact O-N 3.42Å
663N87.1Confident89.2Confident51 Ų5147.7 Ų47.727%0.27326%0.262SS..Hα-helixtrans-62.6-34.8176.4-73.4-18.7000112.2E659 T660 L661 V666 A667E659-N663 WeakPolarHBondContact O-CB 3.44Å; E659-N663 PolarHBondContact O-N 3.43Å; E659-N663 PolarHBondContact O-ND2 3.16Å; T660-N663 PolarHBondContact O-N 3.25Å; L661-N663 PolarHBondContact O-N 3.47Å; N663-V666 PolarHBondContact O-N 3.49Å; N663-A667 WeakPolarHBondContact O-CB 3.33Å; N663-A667 PolarHBondContact O-N 3.43Å
664A90.6Very high89.3Confident16 Ų1646.3 Ų46.313%0.13226%0.255CS..Hα-helixtrans-64.7-4217300000111.9T660 L661 K662 A667 H668 I675 L763T660-A664 PolarHBondContact O-N 3.01Å; L661-A664 WeakPolarHBondContact O-CB 3.23Å; L661-A664 PolarHBondContact O-N 2.83Å; K662-A664 VanDerWaalsContact C-N 3.28Å; K662-A664 PolarHBondContact O-N 3.13Å; A664-A667 PolarHBondContact O-N 2.99Å; A664-H668 PolarHBondContact O-N 2.94Å; A664-H668 PolarHBondContact O-ND1 3.34Å; A664-I675 HydrophobicContact CB-CD1 4.11Å; A664-L763 HydrophobicContact CB-CD2 4.34Å
665I90.4Very high89.4Confident2 Ų242.8 Ų42.81%0.0124%0.237CC..Hα-helixtrans-64.4-40.6174.5-65168.3000110.7L630 L647 L651 W657 L661 K662 H668 K669 G670 V672 I675L630-I665 HydrophobicContact CB-CG2 4.1Å; L647-I665 HydrophobicContact CD2-CD1 4.46Å; L651-I665 HydrophobicContact CD1-CD1 4.13Å; W657-I665 HydrophobicContact CH2-CD1 4.49Å; W657-I665 HydrophobicContact CZ3-CD1 3.83Å; L661-I665 HydrophobicContact CG-CD1 4.39Å; L661-I665 WeakPolarHBondContact O-CG1 3.41Å; L661-I665 PolarHBondContact O-N 2.92Å; K662-I665 PolarHBondContact O-N 3.36Å; K662-I665 VanDerWaalsContact O-N 3.15Å; I665-H668 CarbonylContact O-C 3.52Å; I665-H668 PolarHBondContact O-N 2.94Å; I665-K669 PolarHBondContact O-N 3.4Å; I665-K669 VanDerWaalsContact O-N 3.1Å; I665-G670 PolarHBondContact O-N 3.26Å; I665-V672 HydrophobicContact CD1-CG1 4.33Å; I665-V672 HydrophobicContact CG1-CG1 4.22Å; I665-I675 HydrophobicContact CB-CD1 4.35Å; I665-I675 HydrophobicContact CG1-CD1 3.54Å
666V87.2Confident89.3Confident12 Ų1246.8 Ų46.87%0.07324%0.237CC..Hα-helixtrans-60.8-46.6174.5176.70000110.8L630 K662 N663 H668 K669 Q755 V758L630-V666 HydrophobicContact CD2-CB 4Å; L630-V666 HydrophobicContact CD2-CG1 4.43Å; L630-V666 HydrophobicContact CD2-CG2 3.47Å; L630-V666 VanDerWaalsContact CD2-CG2 3.47Å; K662-V666 VanDerWaalsContact O-CG2 3.23Å; K662-V666 WeakPolarHBondContact O-CG2 3.15Å; K662-V666 PolarHBondContact O-N 3.42Å; N663-V666 PolarHBondContact O-N 3.49Å; V666-H668 VanDerWaalsContact C-N 3.26Å; V666-H668 PolarHBondContact O-N 3Å; V666-K669 PolarHBondContact O-N 2.68Å; V666-Q755 PolarHBondContact O-NE2 3.08Å; V666-V758 HydrophobicContact CB-CG2 4.32Å; V666-V758 HydrophobicContact CG1-CG2 3.63Å
667A86.8Confident89.3Confident32 Ų3247.8 Ų47.826%0.26425%0.248SC..Hα-helixtrans-59-39.5177.800000111.8N663 A664 K669 V758 L763N663-A667 WeakPolarHBondContact O-CB 3.33Å; N663-A667 PolarHBondContact O-N 3.43Å; A664-A667 PolarHBondContact O-N 2.99Å; A667-K669 VanDerWaalsContact C-N 3.25Å; A667-K669 PolarHBondContact O-N 3.22Å; A667-V758 HydrophobicContact CB-CG1 4.37Å; A667-L763 HydrophobicContact CB-CD1 3.87Å
668H89.3Confident89.5Confident79 Ų7946 Ų4637%0.36624%0.242SC..THydrogen-bonded Turntrans-86.114.3175.6-66.688.9000113.8A664 I665 V666 G670 S671A664-H668 PolarHBondContact O-N 2.94Å; A664-H668 PolarHBondContact O-ND1 3.34Å; I665-H668 CarbonylContact O-C 3.52Å; I665-H668 PolarHBondContact O-N 2.94Å; V666-H668 VanDerWaalsContact C-N 3.26Å; V666-H668 PolarHBondContact O-N 3Å; H668-G670 PolarHBondContact O-N 2.78Å; H668-S671 WeakPolarHBondContact CB-O 3.38Å; H668-S671 WeakPolarHBondContact O-CB 3.47Å; H668-S671 PolarHBondContact O-N 3.3Å
669K86Confident89.9Confident93 Ų9345.1 Ų45.140%0.40424%0.24SC..THydrogen-bonded Turntrans51.339.6177.6-57.2176.1-168.2151.50113.5S628 I665 V666 A667 D752S628-K669 PolarHBondContact OG-O 3.39Å; I665-K669 PolarHBondContact O-N 3.4Å; I665-K669 VanDerWaalsContact O-N 3.1Å; V666-K669 PolarHBondContact O-N 2.68Å; A667-K669 VanDerWaalsContact C-N 3.25Å; A667-K669 PolarHBondContact O-N 3.22Å; K669-D752 IonicContact NZ-OD1 2.6Å; K669-D752 PolarHBondContact NZ-OD1 3.15Å; K669-D752 IonicContact NZ-OD2 3.54Å; K669-D752 PolarHBondContact NZ-OD2 3.24Å
670G90.2Very high90.3Very high0 Ų047.6 Ų47.60%025%0.25CC..THydrogen-bonded Turntrans86.6-1.1179.800000115.5N629 I665 H668N629-G670 VanDerWaalsContact CB-O 3.24Å; N629-G670 WeakPolarHBondContact CB-O 3.23Å; N629-G670 PolarHBondContact N-O 3.3Å; N629-G670 PolarHBondContact ND2-O 3.05Å; I665-G670 PolarHBondContact O-N 3.26Å; H668-G670 PolarHBondContact O-N 2.78Å
671S93.4Very high90.5Very high13 Ų1350.9 Ų50.99%0.09126%0.258CS..  trans-73.9140.7166.7170.70000110.4H668 L673 E691H668-S671 WeakPolarHBondContact CB-O 3.38Å; H668-S671 WeakPolarHBondContact O-CB 3.47Å; H668-S671 PolarHBondContact O-N 3.3Å; S671-L673 PolarHBondContact OG-N 3.46Å; S671-E691 WeakPolarHBondContact CB-OE1 3.4Å; S671-E691 PolarHBondContact OG-OE1 2.79Å
672V93.9Very high90.8Very high0 Ų051.2 Ų51.20%026%0.26CS..  trans-110.2-3.1171.3-65.80000112.7L647 I665 H674 I675 I678 R683L647-V672 HydrophobicContact CD1-CG1 4.28Å; L647-V672 HydrophobicContact CD2-CG1 3.65Å; I665-V672 HydrophobicContact CD1-CG1 4.33Å; I665-V672 HydrophobicContact CG1-CG1 4.22Å; V672-H674 VanDerWaalsContact C-N 3.31Å; V672-H674 PolarHBondContact O-N 3.08Å; V672-I675 PolarHBondContact O-N 3.06Å; V672-I678 HydrophobicContact CB-CD1 3.79Å; V672-I678 HydrophobicContact CG1-CD1 3.77Å; V672-R683 WeakPolarHBondContact O-CD 3.26Å; V672-R683 VanDerWaalsContact O-CG 3.3Å; V672-R683 WeakPolarHBondContact O-CG 3.49Å
673L91.3Very high91.1Very high49 Ų4953 Ų5326%0.25727%0.266SS..THydrogen-bonded Turntrans-63.8-35.2-169.6-173.963.5000112.9S671 R683 E691S671-L673 PolarHBondContact OG-N 3.46Å; L673-R683 VanDerWaalsContact O-CD 3.27Å; L673-R683 WeakPolarHBondContact O-CD 3.43Å; L673-R683 PolarHBondContact O-NH1 3.17Å; L673-E691 WeakPolarHBondContact CB-OE1 3.32Å; L673-E691 HydrophobicContact CD2-CG 4.45Å
674H90.4Very high91.5Very high124 Ų12454 Ų5457%0.57427%0.269SS*.THydrogen-bonded Turntrans-99.56.5-176.1-57.2-65.5000113.9V672 E676V672-H674 VanDerWaalsContact C-N 3.31Å; V672-H674 PolarHBondContact O-N 3.08Å; H674-E676 PolarHBondContact O-N 3.45Å
675I91.7Very high91.7Very high8 Ų854 Ų544%0.04127%0.266CS..  trans-92.5100.4180-56.1179.3000108.8L661 A664 I665 V672 S677 I678 R683L661-I675 HydrophobicContact CD1-CG2 3.61Å; A664-I675 HydrophobicContact CB-CD1 4.11Å; I665-I675 HydrophobicContact CB-CD1 4.35Å; I665-I675 HydrophobicContact CG1-CD1 3.54Å; V672-I675 PolarHBondContact O-N 3.06Å; I675-S677 WeakPolarHBondContact CG2-OG 3.43Å; I675-S677 PolarHBondContact O-N 3.28Å; I675-I678 HydrophobicContact CB-CD1 4.07Å; I675-I678 HydrophobicContact CB-CG1 4.31Å; I675-I678 HydrophobicContact CD1-CD1 4.32Å; I675-I678 HydrophobicContact CG2-CD1 4.05Å; I675-I678 HydrophobicContact CG2-CG1 3.99Å; I675-I678 PolarHBondContact O-N 2.93Å; I675-R683 WeakPolarHBondContact O-CD 3.48Å
676E89.9Confident92Very high152 Ų15254.1 Ų54.171%0.7127%0.267SS*.THydrogen-bonded Turntrans-62.4-28.2-172.5-63.5-171.616900114.3H674 I678H674-E676 PolarHBondContact O-N 3.45Å; E676-I678 PolarHBondContact O-N 3.07Å
677S90.6Very high92.5Very high69 Ų6955.6 Ų55.648%0.48327%0.272SS..THydrogen-bonded Turntrans-66.9-14.1176.159.40000113.7I675I675-S677 WeakPolarHBondContact CG2-OG 3.43Å; I675-S677 PolarHBondContact O-N 3.28Å
678I93.7Very high92.9Very high1 Ų154.3 Ų54.31%0.00526%0.261CS..SBendtrans-92.9126.4176.3-59.8177.7000109.5L651 I656 L661 V672 I675 E676 K680 I682 R683L651-I678 HydrophobicContact CD2-CD1 4.09Å; L651-I678 HydrophobicContact CD2-CG1 4.02Å; L651-I678 HydrophobicContact CD2-CG2 4.25Å; I656-I678 HydrophobicContact CD1-CG1 4.36Å; L661-I678 HydrophobicContact CD1-CD1 4.08Å; L661-I678 HydrophobicContact CD1-CG1 4.08Å; V672-I678 HydrophobicContact CB-CD1 3.79Å; V672-I678 HydrophobicContact CG1-CD1 3.77Å; I675-I678 HydrophobicContact CB-CD1 4.07Å; I675-I678 HydrophobicContact CB-CG1 4.31Å; I675-I678 HydrophobicContact CD1-CD1 4.32Å; I675-I678 HydrophobicContact CG2-CD1 4.05Å; I675-I678 HydrophobicContact CG2-CG1 3.99Å; I675-I678 PolarHBondContact O-N 2.93Å; E676-I678 PolarHBondContact O-N 3.07Å; I678-K680 PolarHBondContact O-N 3.34Å; I678-I682 HydrophobicContact CG2-CB 3.73Å; I678-I682 HydrophobicContact CG2-CG2 3.51Å; I678-R683 HydrophobicContact CB-CG 3.87Å; I678-R683 HydrophobicContact CG2-CG 3.66Å; I678-R683 WeakPolarHBondContact O-CD 3.28Å; I678-R683 PolarHBondContact O-NE 3.46Å
679P94.6Very high93.2Very high60 Ų6050.7 Ų50.739%0.3924%0.244SC..  trans-54.3140.7177.9-26.834.5000112.7L654 K681 I682 R683L654-P679 HydrophobicContact CD1-CG 4.15Å; P679-K681 VanDerWaalsContact C-N 3.26Å; P679-K681 PolarHBondContact O-N 2.65Å; P679-K681 VanDerWaalsContact O-N 3.13Å; P679-I682 HydrophobicContact CB-CG1 4.4Å; P679-I682 WeakPolarHBondContact O-CB 3.45Å; P679-I682 PolarHBondContact O-N 2.99Å; P679-R683 PolarHBondContact O-N 3.41Å
680K93.7Very high93.6Very high138 Ų13849.2 Ų49.260%0.624%0.236SC*.Hα-helixtrans-50.7-42.8-176.4-178.9176.9171.1-179.50113.2I678 I682 R683 E684I678-K680 PolarHBondContact O-N 3.34Å; K680-I682 VanDerWaalsContact C-N 3.3Å; K680-I682 PolarHBondContact O-N 3.06Å; K680-R683 WeakPolarHBondContact O-CB 3.45Å; K680-R683 PolarHBondContact O-N 3.36Å; K680-R683 VanDerWaalsContact O-N 3.12Å; K680-E684 WeakPolarHBondContact CE-OE1 3.34Å; K680-E684 HydrophobicContact CG-CG 4.43Å; K680-E684 IonicContact NZ-OE1 2.83Å; K680-E684 WeakPolarHBondContact O-CG 3.01Å; K680-E684 PolarHBondContact O-N 3.45Å
681K93.5Very high93.8Very high139 Ų13951.4 Ų51.460%0.60425%0.247SC*.Hα-helixtrans-59.3-38.2178.4-174.9175.1-178.8173.50113.1P679 L685P679-K681 VanDerWaalsContact C-N 3.26Å; P679-K681 PolarHBondContact O-N 2.65Å; P679-K681 VanDerWaalsContact O-N 3.13Å; K681-L685 WeakPolarHBondContact O-CB 3.33Å; K681-L685 PolarHBondContact O-N 3.43Å; K681-L685 VanDerWaalsContact O-N 3.14Å
682I94.7Very high93.9Very high15 Ų1551 Ų518%0.07724%0.244CC..Hα-helixtrans-72.5-42.1175.9-61.5-60.2000109.6L647 D650 L654 I678 P679 K680 E684 L685 Y686L647-I682 HydrophobicContact CD1-CG2 4.02Å; D650-I682 HydrophobicContact CB-CD1 4.3Å; L654-I682 HydrophobicContact CD1-CG1 3.97Å; I678-I682 HydrophobicContact CG2-CB 3.73Å; I678-I682 HydrophobicContact CG2-CG2 3.51Å; P679-I682 HydrophobicContact CB-CG1 4.4Å; P679-I682 WeakPolarHBondContact O-CB 3.45Å; P679-I682 PolarHBondContact O-N 2.99Å; K680-I682 VanDerWaalsContact C-N 3.3Å; K680-I682 PolarHBondContact O-N 3.06Å; I682-E684 VanDerWaalsContact C-N 3.29Å; I682-E684 PolarHBondContact O-N 2.59Å; I682-L685 PolarHBondContact O-N 3.4Å; I682-Y686 HydrophobicContact CG2-CD2 3.65Å; I682-Y686 HydrophobicContact CG2-CE2 3.88Å; I682-Y686 VanDerWaalsContact O-CD2 3.24Å; I682-Y686 WeakPolarHBondContact O-CD2 3.41Å; I682-Y686 PolarHBondContact O-N 3.27Å
683R94.6Very high94Very high60 Ų6054.3 Ų54.323%0.22627%0.265CS..Hα-helixtrans-58.4-40.9176-64.4-167-86.6160.3-6.1112.7V672 L673 I675 I678 P679 K680 K687V672-R683 WeakPolarHBondContact O-CD 3.26Å; V672-R683 VanDerWaalsContact O-CG 3.3Å; V672-R683 WeakPolarHBondContact O-CG 3.49Å; L673-R683 VanDerWaalsContact O-CD 3.27Å; L673-R683 WeakPolarHBondContact O-CD 3.43Å; L673-R683 PolarHBondContact O-NH1 3.17Å; I675-R683 WeakPolarHBondContact O-CD 3.48Å; I678-R683 HydrophobicContact CB-CG 3.87Å; I678-R683 HydrophobicContact CG2-CG 3.66Å; I678-R683 WeakPolarHBondContact O-CD 3.28Å; I678-R683 PolarHBondContact O-NE 3.46Å; P679-R683 PolarHBondContact O-N 3.41Å; K680-R683 WeakPolarHBondContact O-CB 3.45Å; K680-R683 PolarHBondContact O-N 3.36Å; K680-R683 VanDerWaalsContact O-N 3.12Å; R683-K687 PolarHBondContact O-N 3.36Å
684E94.4Very high94.2Very high73 Ų7353 Ų5334%0.34126%0.258SS..Hα-helixtrans-69-39.6176.4-72.9172.9165.400112.6P524 K680 I682 Y686P524-E684 HydrophobicContact CG-CB 4.45Å; K680-E684 WeakPolarHBondContact CE-OE1 3.34Å; K680-E684 HydrophobicContact CG-CG 4.43Å; K680-E684 IonicContact NZ-OE1 2.83Å; K680-E684 WeakPolarHBondContact O-CG 3.01Å; K680-E684 PolarHBondContact O-N 3.45Å; I682-E684 VanDerWaalsContact C-N 3.29Å; I682-E684 PolarHBondContact O-N 2.59Å; E684-Y686 VanDerWaalsContact C-N 3.34Å; E684-Y686 PolarHBondContact O-N 3.26Å
685L96.4Very high94.5Very high15 Ų1552.9 Ų52.98%0.07926%0.255CS..Hα-helixtrans-64.8-36.7179.1-172.762.5000112.8I519 Y523 K681 I682I519-L685 HydrophobicContact CG2-CD2 4.41Å; Y523-L685 VanDerWaalsContact C-CD1 3.47Å; Y523-L685 WeakPolarHBondContact O-CD1 3.47Å; K681-L685 WeakPolarHBondContact O-CB 3.33Å; K681-L685 PolarHBondContact O-N 3.43Å; K681-L685 VanDerWaalsContact O-N 3.14Å; I682-L685 PolarHBondContact O-N 3.4Å
686Y96.7Very high94.8Very high4 Ų453.6 Ų53.62%0.01626%0.26CS..THydrogen-bonded Turntrans-104.225.9-175.1-65.8-72.7000114I519 N629 H646 L647 D650 I682 E684 T688I519-Y686 HydrophobicContact CD1-CD1 4.16Å; I519-Y686 HydrophobicContact CD1-CE1 3.9Å; I519-Y686 HydrophobicContact CG1-CE1 4.14Å; I519-Y686 HydrophobicContact CG2-CE1 3.68Å; I519-Y686 WeakPolarHBondContact CG2-OH 3.34Å; N629-Y686 PolarHBondContact ND2-O 2.83Å; H646-Y686 HydrophobicContact CB-CE1 3.92Å; H646-Y686 WeakPolarHBondContact CB-OH 3.35Å; H646-Y686 PolarHBondContact O-OH 3.43Å; L647-Y686 VanDerWaalsContact CA-CZ 3.46Å; L647-Y686 HydrophobicContact CB-CD1 3.85Å; L647-Y686 HydrophobicContact CB-CD2 4.3Å; L647-Y686 HydrophobicContact CB-CE1 3.77Å; L647-Y686 HydrophobicContact CB-CE2 4.24Å; L647-Y686 HydrophobicContact CB-CG 4.12Å; L647-Y686 HydrophobicContact CD1-CD1 4.42Å; L647-Y686 HydrophobicContact CD1-CD2 3.48Å; L647-Y686 VanDerWaalsContact CD1-CD2 3.48Å; L647-Y686 HydrophobicContact CD1-CE2 3.84Å; L647-Y686 HydrophobicContact CD1-CG 3.81Å; L647-Y686 HydrophobicContact CG-CD2 4.46Å; L647-Y686 HydrophobicContact CG-CG 4.45Å; L647-Y686 PolarHBondContact N-OH 2.9Å; D650-Y686 HydrophobicContact CB-CE2 4.49Å; D650-Y686 WeakPolarHBondContact OD2-CE2 3.23Å; D650-Y686 VanDerWaalsContact OD2-CZ 3.25Å; D650-Y686 PolarHBondContact OD2-OH 3.21Å; I682-Y686 HydrophobicContact CG2-CD2 3.65Å; I682-Y686 HydrophobicContact CG2-CE2 3.88Å; I682-Y686 VanDerWaalsContact O-CD2 3.24Å; I682-Y686 WeakPolarHBondContact O-CD2 3.41Å; I682-Y686 PolarHBondContact O-N 3.27Å; E684-Y686 VanDerWaalsContact C-N 3.34Å; E684-Y686 PolarHBondContact O-N 3.26Å; Y686-T688 PolarHBondContact O-N 2.65Å
687K96.2Very high95.1Very high44 Ų4447.1 Ų47.119%0.19123%0.23CC..  trans-55.6132.9167.8-75.5-177.2-177.11790110E526 R683 E691 I692E526-K687 VanDerWaalsContact OE1-CD 3.23Å; E526-K687 WeakPolarHBondContact OE1-CD 3.46Å; E526-K687 WeakPolarHBondContact OE1-CE 3.2Å; E526-K687 IonicContact OE1-NZ 3.65Å; E526-K687 PolarHBondContact OE1-NZ 3.47Å; E526-K687 IonicContact OE2-NZ 2.65Å; E526-K687 PolarHBondContact OE2-NZ 3.4Å; R683-K687 PolarHBondContact O-N 3.36Å; K687-E691 HydrophobicContact CB-CB 4.33Å; K687-E691 HydrophobicContact CG-CB 4.5Å; K687-I692 HydrophobicContact CB-CG1 4.14Å
688T95.8Very high95.5Very high4 Ų443.9 Ų43.93%0.02521%0.207CC..  trans-77.2161.2173.966.70000110.2Y626 Y686 W690 E691 I692Y626-T688 CarbonylContact O-C 3.54Å; Y626-T688 WeakPolarHBondContact O-CA 3.36Å; Y686-T688 PolarHBondContact O-N 2.65Å; T688-W690 PolarHBondContact O-N 3.49Å; T688-E691 WeakPolarHBondContact CB-OE2 3.48Å; T688-E691 PolarHBondContact N-OE2 2.82Å; T688-E691 PolarHBondContact O-N 2.99Å; T688-E691 VanDerWaalsContact OG1-CD 3.31Å; T688-E691 PolarHBondContact OG1-OE2 3.49Å; T688-I692 PolarHBondContact O-N 2.7Å
689V95.5Very high95.7Very high3 Ų345.3 Ų45.32%0.01822%0.215CC..THydrogen-bonded Turntrans-56.2-25.2177.476.10000113.6A625 Y626 T627 E691 Q694 Y717A625-V689 HydrophobicContact CB-CB 4.04Å; A625-V689 HydrophobicContact CB-CG2 4.15Å; Y626-V689 PolarHBondContact O-N 3.48Å; T627-V689 HydrophobicContact CG2-CG1 4.28Å; V689-E691 VanDerWaalsContact C-N 3.27Å; V689-E691 PolarHBondContact O-N 2.85Å; V689-Q694 PolarHBondContact O-NE2 3.45Å; V689-Q694 VanDerWaalsContact O-NE2 3.16Å; V689-Y717 HydrophobicContact CB-CD2 4.31Å; V689-Y717 HydrophobicContact CB-CG 4.21Å; V689-Y717 HydrophobicContact CG1-CD1 3.41Å; V689-Y717 VanDerWaalsContact CG1-CD1 3.41Å; V689-Y717 HydrophobicContact CG1-CD2 3.98Å; V689-Y717 HydrophobicContact CG1-CE1 3.86Å; V689-Y717 HydrophobicContact CG1-CE2 4.35Å; V689-Y717 HydrophobicContact CG1-CG 3.48Å; V689-Y717 VanDerWaalsContact CG1-CG 3.48Å; V689-Y717 HydrophobicContact CG2-CD1 4.41Å; V689-Y717 HydrophobicContact CG2-CD2 3.39Å; V689-Y717 HydrophobicContact CG2-CE2 3.95Å; V689-Y717 HydrophobicContact CG2-CG 3.66Å
690W94.5Very high95.9Very high62 Ų6242.4 Ų42.424%0.23520%0.196CC..THydrogen-bonded Turntrans-74.1-19177.8-52104.6000113.5T627 T688 Y717 A719 R746 K748T627-W690 PolarHBondContact O-NE1 2.79Å; T688-W690 PolarHBondContact O-N 3.49Å; W690-Y717 HydrophobicContact CD2-CD1 4.49Å; W690-Y717 HydrophobicContact CE3-CD1 4.41Å; W690-Y717 AromaticContact CH2-CD1 3.72Å; W690-Y717 HydrophobicContact CH2-CD1 3.72Å; W690-Y717 AromaticContact CZ2-CD1 3.77Å; W690-Y717 HydrophobicContact CZ2-CD1 3.77Å; W690-Y717 HydrophobicContact CZ2-CE1 4.34Å; W690-Y717 HydrophobicContact CZ3-CD1 4.05Å; W690-A719 HydrophobicContact CE3-CB 4.21Å; W690-R746 HydrophobicContact CH2-CB 4.06Å; W690-R746 WeakPolarHBondContact CZ3-O 3.24Å; W690-K748 HydrophobicContact CD2-CD 4.24Å; W690-K748 HydrophobicContact CD2-CG 4.28Å; W690-K748 VanDerWaalsContact CE2-CE 3.44Å; W690-K748 HydrophobicContact CE3-CD 4.39Å; W690-K748 HydrophobicContact CE3-CG 4.13Å; W690-K748 HydrophobicContact CH2-CG 3.97Å; W690-K748 HydrophobicContact CZ2-CG 4.14Å; W690-K748 HydrophobicContact CZ3-CG 3.98Å
691E94.8Very high96.1Very high47 Ų4735.9 Ų35.922%0.2217%0.168CC..THydrogen-bonded Turntrans-103.5-14-178.2-62.8161.4143.300111.5S671 L673 K687 T688 V689S671-E691 WeakPolarHBondContact CB-OE1 3.4Å; S671-E691 PolarHBondContact OG-OE1 2.79Å; L673-E691 WeakPolarHBondContact CB-OE1 3.32Å; L673-E691 HydrophobicContact CD2-CG 4.45Å; K687-E691 HydrophobicContact CB-CB 4.33Å; K687-E691 HydrophobicContact CG-CB 4.5Å; T688-E691 WeakPolarHBondContact CB-OE2 3.48Å; T688-E691 PolarHBondContact N-OE2 2.82Å; T688-E691 PolarHBondContact O-N 2.99Å; T688-E691 VanDerWaalsContact OG1-CD 3.31Å; T688-E691 PolarHBondContact OG1-OE2 3.49Å; V689-E691 VanDerWaalsContact C-N 3.27Å; V689-E691 PolarHBondContact O-N 2.85Å
692I95.7Very high96.3Very high5 Ų529.8 Ų29.83%0.02614%0.143CC..SBendtrans-84.6127.3174.8-63.8164.4000108.9F525 A625 K687 T688 Q694 V696 I697F525-I692 HydrophobicContact CB-CD1 3.72Å; F525-I692 HydrophobicContact CD1-CD1 4.33Å; F525-I692 HydrophobicContact CG-CD1 4.01Å; A625-I692 HydrophobicContact CB-CD1 3.65Å; K687-I692 HydrophobicContact CB-CG1 4.14Å; T688-I692 PolarHBondContact O-N 2.7Å; I692-Q694 PolarHBondContact O-N 3.4Å; I692-Q694 PolarHBondContact O-NE2 3.33Å; I692-V696 HydrophobicContact CG2-CB 4.2Å; I692-V696 HydrophobicContact CG2-CG1 4.24Å; I692-I697 HydrophobicContact CG2-CD1 3.9Å; I692-I697 HydrophobicContact CG2-CG1 4.2Å
693P95.2Very high96.4Very high68 Ų6831 Ų3144%0.44215%0.15SC..  trans-57.6127174.2-23.233.1000111.2K695 V696P693-K695 PolarHBondContact O-N 3.38Å; P693-K695 VanDerWaalsContact O-N 3.08Å; P693-V696 HydrophobicContact CB-CG2 4.23Å; P693-V696 HydrophobicContact CG-CG2 4.48Å; P693-V696 VanDerWaalsContact O-CB 3.29Å; P693-V696 WeakPolarHBondContact O-CB 3.49Å; P693-V696 PolarHBondContact O-N 3.1Å
694Q96.1Very high96.6Very high23 Ų2328.2 Ų28.211%0.10714%0.14CC..Hα-helixtrans-63.4-21.4-176.7-62.9-58.6-6900113.7V689 I692 V696 I697 I698 I716 Y717V689-Q694 PolarHBondContact O-NE2 3.45Å; V689-Q694 VanDerWaalsContact O-NE2 3.16Å; I692-Q694 PolarHBondContact O-N 3.4Å; I692-Q694 PolarHBondContact O-NE2 3.33Å; Q694-V696 VanDerWaalsContact C-N 3.29Å; Q694-V696 PolarHBondContact O-N 3.21Å; Q694-I697 WeakPolarHBondContact O-CB 3.38Å; Q694-I697 PolarHBondContact O-N 3.37Å; Q694-I698 WeakPolarHBondContact O-CG1 3.22Å; Q694-I698 PolarHBondContact O-N 2.86Å; Q694-I716 HydrophobicContact CG-CG2 4.35Å; Q694-Y717 WeakPolarHBondContact CG-O 3.16Å; Q694-Y717 PolarHBondContact NE2-O 3.24Å; Q694-Y717 PolarHBondContact OE1-O 3.01Å
695K96.2Very high96.8Very high120 Ų12024.9 Ų24.952%0.52213%0.125SC..Hα-helixtrans-58.7-39.6170.2-70.8-175.1178.2179.90112.1P693 I697 I698 D699 Y732P693-K695 PolarHBondContact O-N 3.38Å; P693-K695 VanDerWaalsContact O-N 3.08Å; K695-I697 VanDerWaalsContact C-N 3.33Å; K695-I697 PolarHBondContact O-N 3.37Å; K695-I698 PolarHBondContact O-N 3.44Å; K695-D699 WeakPolarHBondContact O-CB 3.3Å; K695-D699 PolarHBondContact O-N 3.06Å; K695-Y732 HydrophobicContact CB-CD1 4.47Å; K695-Y732 HydrophobicContact CB-CE1 4.07Å; K695-Y732 HydrophobicContact CG-CD1 4.15Å; K695-Y732 HydrophobicContact CG-CE1 4.13Å
696V97.2Very high96.9Very high24 Ų2424.2 Ų24.215%0.14512%0.121CC..Hα-helixtrans-60.8-44.6176171.50000110.5E526 F531 I692 P693 Q694 I698 D699 M700E526-V696 HydrophobicContact CB-CG1 4.11Å; E526-V696 HydrophobicContact CB-CG2 4.43Å; F531-V696 HydrophobicContact CE2-CG1 3.79Å; F531-V696 HydrophobicContact CZ-CG1 3.83Å; I692-V696 HydrophobicContact CG2-CB 4.2Å; I692-V696 HydrophobicContact CG2-CG1 4.24Å; P693-V696 HydrophobicContact CB-CG2 4.23Å; P693-V696 HydrophobicContact CG-CG2 4.48Å; P693-V696 VanDerWaalsContact O-CB 3.29Å; P693-V696 WeakPolarHBondContact O-CB 3.49Å; P693-V696 PolarHBondContact O-N 3.1Å; Q694-V696 VanDerWaalsContact C-N 3.29Å; Q694-V696 PolarHBondContact O-N 3.21Å; V696-I698 VanDerWaalsContact C-N 3.33Å; V696-I698 PolarHBondContact O-N 3.17Å; V696-D699 PolarHBondContact O-N 3.4Å; V696-M700 HydrophobicContact CG1-SD 4.22Å; V696-M700 WeakPolarHBondContact O-CG 3.22Å; V696-M700 PolarHBondContact O-N 3.26Å
697I97.5Very high97Very high16 Ų1624.1 Ų24.18%0.08212%0.121CC..Hα-helixtrans-61-43.7177.7-56.4-58.1000110.9F525 I692 Q694 K695 A701 L714F525-I697 HydrophobicContact CD1-CD1 4.03Å; F525-I697 HydrophobicContact CE1-CD1 3.59Å; F525-I697 HydrophobicContact CZ-CD1 4.37Å; I692-I697 HydrophobicContact CG2-CD1 3.9Å; I692-I697 HydrophobicContact CG2-CG1 4.2Å; Q694-I697 WeakPolarHBondContact O-CB 3.38Å; Q694-I697 PolarHBondContact O-N 3.37Å; K695-I697 VanDerWaalsContact C-N 3.33Å; K695-I697 PolarHBondContact O-N 3.37Å; I697-A701 VanDerWaalsContact O-CB 3.3Å; I697-A701 WeakPolarHBondContact O-CB 3.29Å; I697-A701 PolarHBondContact O-N 2.99Å; I697-L714 HydrophobicContact CG2-CD1 3.93Å
698I98Very high97.1Very high1 Ų122.1 Ų22.11%0.00511%0.112CC..Hα-helixtrans-65.7-43.3177-69.8167.4000111.6Q694 K695 V696 A701 A702 I716 M729 Y732 K736 L738Q694-I698 WeakPolarHBondContact O-CG1 3.22Å; Q694-I698 PolarHBondContact O-N 2.86Å; K695-I698 PolarHBondContact O-N 3.44Å; V696-I698 VanDerWaalsContact C-N 3.33Å; V696-I698 PolarHBondContact O-N 3.17Å; I698-A701 WeakPolarHBondContact O-CB 3.28Å; I698-A701 PolarHBondContact O-N 2.86Å; I698-A702 PolarHBondContact O-N 3.28Å; I698-I716 HydrophobicContact CD1-CD1 4.4Å; I698-I716 HydrophobicContact CG1-CD1 4.2Å; I698-M729 HydrophobicContact CD1-CG 3.81Å; I698-M729 HydrophobicContact CD1-SD 3.99Å; I698-Y732 HydrophobicContact CB-CD1 4.09Å; I698-Y732 HydrophobicContact CB-CE1 4.34Å; I698-Y732 HydrophobicContact CD1-CD1 4.14Å; I698-Y732 HydrophobicContact CG2-CD1 3.61Å; I698-Y732 HydrophobicContact CG2-CE1 3.94Å; I698-K736 HydrophobicContact CG2-CB 4.43Å; I698-K736 HydrophobicContact CG2-CG 4.28Å; I698-L738 HydrophobicContact CG2-CD1 3.96Å
699D98.2Very high97.2Very high30 Ų3022.1 Ų22.116%0.1611%0.112CC..Hα-helixtrans-63.3-45.9179-74-36.7000111.3F531 K695 V696 A701 A702 D703 Y732 K736F531-D699 HydrophobicContact CE1-CB 3.76Å; F531-D699 HydrophobicContact CZ-CB 4.13Å; K695-D699 WeakPolarHBondContact O-CB 3.3Å; K695-D699 PolarHBondContact O-N 3.06Å; V696-D699 PolarHBondContact O-N 3.4Å; D699-A701 VanDerWaalsContact C-N 3.27Å; D699-A701 PolarHBondContact O-N 2.84Å; D699-A702 PolarHBondContact O-N 2.71Å; D699-D703 PolarHBondContact O-N 3.47Å; D699-Y732 WeakPolarHBondContact OD1-CE1 3.46Å; D699-Y732 PolarHBondContact OD1-OH 2.78Å; D699-Y732 PolarHBondContact OD2-OH 2.87Å; D699-K736 WeakPolarHBondContact OD1-CE 3.45Å; D699-K736 IonicContact OD1-NZ 3.92Å; D699-K736 PolarHBondContact OD1-NZ 3.03Å
700M98.2Very high97.4Very high0 Ų022 Ų220%011%0.112CC..Hα-helixtrans-63.9-33.7174.9-65.4-178.982.700112.3F518 F525 A530 F531 N534 V696 R704F518-M700 HydrophobicContact CE2-CE 3.56Å; F518-M700 HydrophobicContact CZ-CE 3.56Å; F525-M700 HydrophobicContact CD1-CE 4.43Å; F525-M700 HydrophobicContact CD1-SD 3.69Å; F525-M700 HydrophobicContact CE1-CE 4.15Å; F525-M700 HydrophobicContact CE1-SD 3.47Å; F525-M700 WeakPolarHBondContact CE1-SD 3.42Å; F525-M700 HydrophobicContact CZ-SD 4.49Å; A530-M700 HydrophobicContact CB-CE 4.44Å; F531-M700 HydrophobicContact CD1-CG 3.79Å; F531-M700 HydrophobicContact CD2-CG 4.21Å; F531-M700 HydrophobicContact CE1-CB 4.46Å; F531-M700 HydrophobicContact CE1-CG 3.48Å; F531-M700 VanDerWaalsContact CE1-CG 3.48Å; F531-M700 HydrophobicContact CE2-CG 3.94Å; F531-M700 HydrophobicContact CE2-SD 4.31Å; F531-M700 HydrophobicContact CG-CG 4.15Å; F531-M700 HydrophobicContact CZ-CG 3.57Å; F531-M700 HydrophobicContact CZ-SD 4.45Å; N534-M700 HydrophobicContact CB-CE 3.68Å; N534-M700 PolarHBondContact ND2-O 3.44Å; V696-M700 HydrophobicContact CG1-SD 4.22Å; V696-M700 WeakPolarHBondContact O-CG 3.22Å; V696-M700 PolarHBondContact O-N 3.26Å; M700-R704 WeakPolarHBondContact O-CG 3.45Å; M700-R704 PolarHBondContact O-N 3.24Å; M700-R704 VanDerWaalsContact O-N 3.14Å; M700-R704 PolarHBondContact O-NE 2.96Å
701A98.4Very high97.6Very high0 Ų019.3 Ų19.30%010%0.102CC..Hα-helixtrans-67.5-38.9174.900000112.3I697 I698 D699 R704 G705 Q712 L714 L738I697-A701 VanDerWaalsContact O-CB 3.3Å; I697-A701 WeakPolarHBondContact O-CB 3.29Å; I697-A701 PolarHBondContact O-N 2.99Å; I698-A701 WeakPolarHBondContact O-CB 3.28Å; I698-A701 PolarHBondContact O-N 2.86Å; D699-A701 VanDerWaalsContact C-N 3.27Å; D699-A701 PolarHBondContact O-N 2.84Å; A701-R704 WeakPolarHBondContact O-CG 3.28Å; A701-G705 WeakPolarHBondContact O-CA 3.48Å; A701-G705 PolarHBondContact O-N 3.01Å; A701-Q712 PolarHBondContact O-NE2 2.82Å; A701-L714 HydrophobicContact CB-CD1 3.84Å; A701-L714 HydrophobicContact CB-CD2 3.9Å; A701-L738 HydrophobicContact CB-CD2 4Å
702A98.1Very high97.7Very high11 Ų1117.4 Ų17.49%0.0919%0.093CC..Hα-helixtrans-67.8-44.5174.800000111.3I698 D699 R704 G705 A706 K736 L738I698-A702 PolarHBondContact O-N 3.28Å; D699-A702 PolarHBondContact O-N 2.71Å; A702-R704 PolarHBondContact O-N 3.11Å; A702-G705 WeakPolarHBondContact O-CA 3.41Å; A702-G705 PolarHBondContact O-N 2.93Å; A702-A706 PolarHBondContact O-N 3.5Å; A702-K736 HydrophobicContact CB-CB 4.14Å; A702-K736 HydrophobicContact CB-CD 4.5Å; A702-L738 HydrophobicContact CB-CD2 4.11Å
703D97.6Very high97.8Very high41 Ų4117.4 Ų17.422%0.2199%0.094CC..Hα-helixtrans-56.5-47.4177.5-91.419.2000112.3R535 D699 G705R535-D703 IonicContact CZ-OD2 2.97Å; R535-D703 IonicContact NE-OD2 2.88Å; R535-D703 IonicContact NH2-OD1 3.45Å; R535-D703 IonicContact NH2-OD2 3.42Å; R535-D703 PolarHBondContact NH2-OD2 3.17Å; D699-D703 PolarHBondContact O-N 3.47Å; D703-G705 VanDerWaalsContact C-N 3.34Å
704R98.4Very high98Very high2 Ų214.4 Ų14.41%0.0087%0.074CC..Hα-helixtrans-74.4-26.6175.270.7-178.581.3107.1-2112.8N534 F538 M700 A701 A702 A706 F707 I708 Q712N534-R704 PolarHBondContact OD1-NE 2.71Å; N534-R704 PolarHBondContact OD1-NH2 3.1Å; F538-R704 HydrophobicContact CB-CB 3.99Å; F538-R704 HydrophobicContact CD1-CB 4.25Å; F538-R704 HydrophobicContact CD2-CB 3.46Å; F538-R704 VanDerWaalsContact CD2-CB 3.46Å; F538-R704 HydrophobicContact CD2-CG 4.31Å; F538-R704 HydrophobicContact CE2-CB 3.98Å; F538-R704 VanDerWaalsContact CE2-CD 3.5Å; F538-R704 HydrophobicContact CE2-CG 4.36Å; F538-R704 HydrophobicContact CG-CB 3.63Å; M700-R704 WeakPolarHBondContact O-CG 3.45Å; M700-R704 PolarHBondContact O-N 3.24Å; M700-R704 VanDerWaalsContact O-N 3.14Å; M700-R704 PolarHBondContact O-NE 2.96Å; A701-R704 WeakPolarHBondContact O-CG 3.28Å; A702-R704 PolarHBondContact O-N 3.11Å; R704-A706 PolarHBondContact O-N 3.48Å; R704-F707 PolarHBondContact O-N 2.89Å; R704-I708 HydrophobicContact CB-CD1 4.18Å; R704-I708 HydrophobicContact CG-CD1 3.73Å; R704-I708 WeakPolarHBondContact O-CG1 3.33Å; R704-I708 PolarHBondContact O-N 3.21Å; R704-Q712 VanDerWaalsContact CD-OE1 3.26Å
705G98.3Very high98.1Very high3 Ų314 Ų143%0.0317%0.072CC..Hα-helixtrans-57.2-30.3179.600000113.3W577 A701 A702 D703 F707 I708W577-G705 PolarHBondContact NE1-O 2.86Å; A701-G705 WeakPolarHBondContact O-CA 3.48Å; A701-G705 PolarHBondContact O-N 3.01Å; A702-G705 WeakPolarHBondContact O-CA 3.41Å; A702-G705 PolarHBondContact O-N 2.93Å; D703-G705 VanDerWaalsContact C-N 3.34Å; G705-F707 PolarHBondContact O-N 3.44Å; G705-I708 PolarHBondContact O-N 3.46Å
706A98.2Very high98.1Very high1 Ų18.2 Ų8.21%0.0085%0.047CC..THydrogen-bonded Turntrans-62.1-19.7172.800000114Q573 Y574 W577 V579 A702 R704Q573-A706 CarbonylContact C-O 3.4Å; Q573-A706 VanDerWaalsContact CG-O 3.28Å; Q573-A706 WeakPolarHBondContact CG-O 3.46Å; Y574-A706 WeakPolarHBondContact CA-O 3.31Å; Y574-A706 WeakPolarHBondContact CB-O 3.42Å; Y574-A706 PolarHBondContact N-O 3.39Å; W577-A706 HydrophobicContact CB-CB 4.11Å; W577-A706 HydrophobicContact CG-CB 4.17Å; V579-A706 HydrophobicContact CB-CB 4Å; V579-A706 HydrophobicContact CG1-CB 4.12Å; V579-A706 HydrophobicContact CG2-CB 3.98Å; A702-A706 PolarHBondContact O-N 3.5Å; R704-A706 PolarHBondContact O-N 3.48Å
707F98.7Very high98.1Very high1 Ų18 Ų80%0.0044%0.044CC..THydrogen-bonded Turntrans-116.216179-52.9-78.9000112.3R535 F538 E539 Y542 Y574 P581 W587 R704 G705R535-F707 HydrophobicContact CG-CE2 3.76Å; R535-F707 HydrophobicContact CG-CZ 4.46Å; F538-F707 HydrophobicContact CB-CB 4.16Å; E539-F707 HydrophobicContact CB-CD1 4.08Å; E539-F707 HydrophobicContact CB-CD2 4.36Å; E539-F707 HydrophobicContact CB-CE1 3.95Å; E539-F707 HydrophobicContact CB-CE2 4.25Å; E539-F707 HydrophobicContact CB-CG 4.28Å; E539-F707 HydrophobicContact CB-CZ 4.04Å; E539-F707 HydrophobicContact CG-CD1 4.09Å; E539-F707 HydrophobicContact CG-CE1 3.65Å; E539-F707 HydrophobicContact CG-CZ 3.97Å; Y542-F707 WeakPolarHBondContact CB-O 3.31Å; Y542-F707 HydrophobicContact CD1-CB 4.33Å; Y542-F707 HydrophobicContact CD1-CD1 4.2Å; Y542-F707 HydrophobicContact CG-CB 4.35Å; Y574-F707 HydrophobicContact CD1-CD1 4.23Å; Y574-F707 HydrophobicContact CD1-CE1 4.08Å; Y574-F707 HydrophobicContact CG-CE1 4.4Å; P581-F707 HydrophobicContact CB-CE1 4.04Å; P581-F707 HydrophobicContact CB-CZ 4.23Å; P581-F707 HydrophobicContact CG-CE1 4.13Å; W587-F707 HydrophobicContact CZ2-CD1 4.35Å; W587-F707 HydrophobicContact CZ2-CE1 4.24Å; R704-F707 PolarHBondContact O-N 2.89Å; G705-F707 PolarHBondContact O-N 3.44Å
708I98.8Very high97.9Very high2 Ų28.3 Ų8.31%0.015%0.045CC..  trans-120.1106.5178.6-64.8168.5000108.3F538 Q573 V605 P607 R704 G705 Q710 S711 Q712F538-I708 HydrophobicContact CD1-CD1 4.09Å; F538-I708 HydrophobicContact CD1-CG1 4.09Å; F538-I708 HydrophobicContact CE1-CD1 4.1Å; F538-I708 HydrophobicContact CE1-CG1 4.45Å; Q573-I708 VanDerWaalsContact CD-O 3.3Å; Q573-I708 WeakPolarHBondContact CG-O 3.43Å; Q573-I708 PolarHBondContact NE2-O 3.42Å; V605-I708 HydrophobicContact CG1-CB 4.49Å; V605-I708 HydrophobicContact CG1-CG1 3.91Å; V605-I708 WeakPolarHBondContact O-CG2 3.47Å; P607-I708 HydrophobicContact CG-CD1 3.76Å; P607-I708 HydrophobicContact CG-CG1 4.35Å; R704-I708 HydrophobicContact CB-CD1 4.18Å; R704-I708 HydrophobicContact CG-CD1 3.73Å; R704-I708 WeakPolarHBondContact O-CG1 3.33Å; R704-I708 PolarHBondContact O-N 3.21Å; G705-I708 PolarHBondContact O-N 3.46Å; I708-Q710 VanDerWaalsContact C-N 3.35Å; I708-S711 VanDerWaalsContact CG2-O 3.29Å; I708-S711 WeakPolarHBondContact CG2-O 2.98Å; I708-Q712 HydrophobicContact CD1-CB 4.34Å
709D98.3Very high97.5Very high5 Ų59.5 Ų9.53%0.0276%0.055CC..SBendtrans-75.1-22.5-177.456.75.2000113.4Y542 Q573 L603 L604 V605 K739Y542-D709 HydrophobicContact CE2-CB 4.29Å; Q573-D709 HydrophobicContact CB-CB 4.49Å; L603-D709 WeakPolarHBondContact CA-OD2 3.38Å; L603-D709 HydrophobicContact CD2-CB 3.94Å; L604-D709 WeakPolarHBondContact CB-OD2 3.26Å; L604-D709 VanDerWaalsContact N-CG 3.3Å; L604-D709 PolarHBondContact N-OD1 3.1Å; L604-D709 VanDerWaalsContact N-OD1 3.13Å; L604-D709 PolarHBondContact N-OD2 3.26Å; V605-D709 PolarHBondContact N-OD1 3.17Å; V605-D709 VanDerWaalsContact O-OD1 3.12Å; D709-K739 PolarHBondContact O-NZ 3.29Å
710Q98.4Very high97.1Very high0 Ų013.9 Ų13.90%08%0.075CC..SBendtrans-92.5-119.9168.2-52.9-142.638.600111.3E433 I434 V435 E436 I507 L603 V605 A606 I708 K739E433-Q710 WeakPolarHBondContact O-CB 3.5Å; I434-Q710 VanDerWaalsContact CA-OE1 3.26Å; I434-Q710 VanDerWaalsContact CG2-OE1 3.26Å; V435-Q710 VanDerWaalsContact N-OE1 3.08Å; E436-Q710 PolarHBondContact OE1-NE2 2.93Å; I507-Q710 PolarHBondContact O-NE2 3.01Å; L603-Q710 HydrophobicContact CB-CG 3.86Å; L603-Q710 HydrophobicContact CD1-CG 4.05Å; L603-Q710 HydrophobicContact CD2-CG 4.43Å; L603-Q710 HydrophobicContact CG-CG 4.33Å; V605-Q710 WeakPolarHBondContact O-CB 3.34Å; V605-Q710 PolarHBondContact O-N 3.23Å; A606-Q710 HydrophobicContact CB-CB 3.75Å; A606-Q710 HydrophobicContact CB-CG 4Å; I708-Q710 VanDerWaalsContact C-N 3.35Å; Q710-K739 WeakPolarHBondContact O-CD 3.37Å; Q710-K739 VanDerWaalsContact O-CE 3.32Å; Q710-K739 WeakPolarHBondContact O-CE 3.34Å; Q710-K739 PolarHBondContact O-NZ 2.97Å
711S98.5Very high96.8Very high5 Ų515.5 Ų15.54%0.0359%0.085CC..  trans-141.9-166.3171.4-166.50000109.7E433 P607 I708 K739 T740E433-S711 CarbonylContact O-C 3.38Å; E433-S711 WeakPolarHBondContact O-CA 3.35Å; E433-S711 WeakPolarHBondContact O-CB 3.37Å; E433-S711 PolarHBondContact O-N 2.88Å; P607-S711 VanDerWaalsContact CD-O 3.25Å; P607-S711 WeakPolarHBondContact CD-O 3.39Å; I708-S711 VanDerWaalsContact CG2-O 3.29Å; I708-S711 WeakPolarHBondContact CG2-O 2.98Å; S711-K739 WeakPolarHBondContact OG-CB 3.47Å; S711-T740 WeakPolarHBondContact OG-CB 3.44Å; S711-T740 PolarHBondContact OG-N 3Å; S711-T740 PolarHBondContact OG-OG1 3.37Å
712Q98.5Very high96.5Very high7 Ų718.9 Ų18.93%0.03310%0.103CC..  trans-139.8141.917866.4-166.4-79.400110.3P607 I623 A701 R704 I708 L714 T740P607-Q712 HydrophobicContact CB-CB 4.1Å; P607-Q712 HydrophobicContact CG-CB 4.22Å; I623-Q712 HydrophobicContact CD1-CB 4.49Å; I623-Q712 HydrophobicContact CD1-CG 4.43Å; A701-Q712 PolarHBondContact O-NE2 2.82Å; R704-Q712 VanDerWaalsContact CD-OE1 3.26Å; I708-Q712 HydrophobicContact CD1-CB 4.34Å; Q712-L714 PolarHBondContact O-N 3.45Å; Q712-T740 WeakPolarHBondContact O-CB 3.41Å
713S98Very high96.4Very high6 Ų623 Ų234%0.04212%0.117CC..  trans-74.292176.1-55.40000111C431 P607 P609C431-S713 VanDerWaalsContact O-CB 3.32Å; C431-S713 WeakPolarHBondContact O-CB 3.45Å; C431-S713 PolarHBondContact O-OG 3.47Å; P607-S713 PolarHBondContact O-N 3.23Å; P609-S713 WeakPolarHBondContact CD-OG 3.47Å; P609-S713 WeakPolarHBondContact CG-OG 3.24Å
714L98.1Very high96.3Very high4 Ų423.4 Ų23.42%0.02113%0.132CC..  trans-97.197.8-173.8-170.267.5000112.1I623 I697 A701 Q712 I716 L738 M742 Y743I623-L714 HydrophobicContact CD1-CD1 4.14Å; I697-L714 HydrophobicContact CG2-CD1 3.93Å; A701-L714 HydrophobicContact CB-CD1 3.84Å; A701-L714 HydrophobicContact CB-CD2 3.9Å; Q712-L714 PolarHBondContact O-N 3.45Å; L714-I716 HydrophobicContact CD2-CD1 4.42Å; L714-I716 HydrophobicContact CG-CD1 4.43Å; L714-L738 HydrophobicContact CD2-CD1 3.68Å; L714-M742 CarbonylContact O-C 3.6Å; L714-M742 WeakPolarHBondContact O-CA 3.49Å; L714-Y743 PolarHBondContact O-N 3.28Å
715N97.7Very high96.1Very high14 Ų1428.2 Ų28.28%0.07515%0.153CC..  trans-74.9140.8170.4-71.5-34.1000111.2E624 Y717 Y743 Y744E624-N715 WeakPolarHBondContact OE1-CB 3.33Å; E624-N715 PolarHBondContact OE1-ND2 2.87Å; N715-Y717 HydrophobicContact CB-CD2 4.43Å; N715-Y717 HydrophobicContact CB-CE2 3.7Å; N715-Y743 WeakPolarHBondContact OD1-CB 3.49Å; N715-Y743 WeakPolarHBondContact OD1-CD1 3.35Å; N715-Y744 WeakPolarHBondContact OD1-CB 3.49Å; N715-Y744 PolarHBondContact OD1-N 3.22Å
716I97.7Very high95.9Very high0 Ų028.1 Ų28.10%015%0.151CC..EExtended strand (participates in β ladder)trans-111.5133.3174.9-62.5-65.3000109.2Q694 I698 L714 M729 M742 Y744 L745 R746Q694-I716 HydrophobicContact CG-CG2 4.35Å; I698-I716 HydrophobicContact CD1-CD1 4.4Å; I698-I716 HydrophobicContact CG1-CD1 4.2Å; L714-I716 HydrophobicContact CD2-CD1 4.42Å; L714-I716 HydrophobicContact CG-CD1 4.43Å; I716-M729 HydrophobicContact CB-CE 4.36Å; I716-M729 HydrophobicContact CB-SD 4.44Å; I716-M729 HydrophobicContact CD1-SD 3.94Å; I716-M729 HydrophobicContact CG1-CE 4.19Å; I716-M729 HydrophobicContact CG1-SD 3.79Å; I716-M729 HydrophobicContact CG2-CE 3.86Å; I716-M729 HydrophobicContact CG2-CG 4.14Å; I716-M729 HydrophobicContact CG2-SD 3.98Å; I716-M742 HydrophobicContact CB-CG 4.13Å; I716-M742 HydrophobicContact CB-SD 4.4Å; I716-M742 HydrophobicContact CG1-CB 4.29Å; I716-M742 HydrophobicContact CG1-CG 3.87Å; I716-Y744 PolarHBondContact N-O 3.02Å; I716-L745 HydrophobicContact CB-CD1 4.41Å; I716-L745 HydrophobicContact CG2-CD1 4.11Å; I716-R746 PolarHBondContact O-N 2.78Å
717Y96.3Very high95.9Very high19 Ų1929.8 Ų29.88%0.07516%0.161CC..EExtended strand (participates in β ladder)trans-113.5116.4-176.1-68-97.3000110.3E624 T627 V689 W690 Q694 N715 R746E624-Y717 PolarHBondContact OE2-OH 3.31Å; T627-Y717 HydrophobicContact CG2-CE1 3.74Å; T627-Y717 WeakPolarHBondContact CG2-OH 3.01Å; V689-Y717 HydrophobicContact CB-CD2 4.31Å; V689-Y717 HydrophobicContact CB-CG 4.21Å; V689-Y717 HydrophobicContact CG1-CD1 3.41Å; V689-Y717 VanDerWaalsContact CG1-CD1 3.41Å; V689-Y717 HydrophobicContact CG1-CD2 3.98Å; V689-Y717 HydrophobicContact CG1-CE1 3.86Å; V689-Y717 HydrophobicContact CG1-CE2 4.35Å; V689-Y717 HydrophobicContact CG1-CG 3.48Å; V689-Y717 VanDerWaalsContact CG1-CG 3.48Å; V689-Y717 HydrophobicContact CG2-CD1 4.41Å; V689-Y717 HydrophobicContact CG2-CD2 3.39Å; V689-Y717 HydrophobicContact CG2-CE2 3.95Å; V689-Y717 HydrophobicContact CG2-CG 3.66Å; W690-Y717 HydrophobicContact CD2-CD1 4.49Å; W690-Y717 HydrophobicContact CE3-CD1 4.41Å; W690-Y717 AromaticContact CH2-CD1 3.72Å; W690-Y717 HydrophobicContact CH2-CD1 3.72Å; W690-Y717 AromaticContact CZ2-CD1 3.77Å; W690-Y717 HydrophobicContact CZ2-CD1 3.77Å; W690-Y717 HydrophobicContact CZ2-CE1 4.34Å; W690-Y717 HydrophobicContact CZ3-CD1 4.05Å; Q694-Y717 WeakPolarHBondContact CG-O 3.16Å; Q694-Y717 PolarHBondContact NE2-O 3.24Å; Q694-Y717 PolarHBondContact OE1-O 3.01Å; N715-Y717 HydrophobicContact CB-CD2 4.43Å; N715-Y717 HydrophobicContact CB-CE2 3.7Å; Y717-R746 HydrophobicContact CD1-CB 3.49Å; Y717-R746 VanDerWaalsContact CD1-CB 3.49Å; Y717-R746 HydrophobicContact CD1-CG 3.98Å; Y717-R746 HydrophobicContact CE1-CB 3.64Å; Y717-R746 HydrophobicContact CE1-CG 3.62Å; Y717-R746 HydrophobicContact CG-CB 4.13Å
718M93.6Very high95.8Very high22 Ų2232.9 Ų32.911%0.10818%0.183CC..  trans-137105.6179.9-165.4171.3-64.400110.1H720 P721 K725 L726 M729 L745 R746 T747M718-H720 PolarHBondContact O-N 2.98Å; M718-P721 HydrophobicContact CB-CB 4.49Å; M718-P721 HydrophobicContact CG-CB 4.22Å; M718-P721 HydrophobicContact SD-CB 4.01Å; M718-K725 HydrophobicContact CE-CB 3.93Å; M718-K725 HydrophobicContact SD-CB 3.57Å; M718-K725 VanDerWaalsContact SD-CB 3.57Å; M718-K725 HydrophobicContact SD-CD 4.19Å; M718-L726 HydrophobicContact CE-CD2 3.83Å; M718-L726 HydrophobicContact CE-CG 4.39Å; M718-L726 HydrophobicContact SD-CD2 3.83Å; M718-L726 HydrophobicContact SD-CG 3.99Å; M718-M729 HydrophobicContact CE-CB 4.37Å; M718-L745 HydrophobicContact CB-CD1 4.16Å; M718-R746 PolarHBondContact N-O 3.42Å; M718-T747 WeakPolarHBondContact O-CA 3.49Å
719A89.9Confident95.7Very high26 Ų2633.2 Ų33.222%0.21519%0.185CC..SBendtrans-58.5-46.5-175.500000112.6W690 K748W690-A719 HydrophobicContact CE3-CB 4.21Å; A719-K748 HydrophobicContact CB-CB 4.4Å; A719-K748 HydrophobicContact CB-CD 4.1Å; A719-K748 HydrophobicContact CB-CG 4.31Å; A719-K748 PolarHBondContact O-N 3.09Å
720H89.9Confident95.7Very high123 Ų12333 Ų3357%0.56918%0.184SC*.SBendtrans-124.483.9178.7-55.9-63.1000109.3M718M718-H720 PolarHBondContact O-N 2.98Å
721P91.6Very high95.6Very high33 Ų3334 Ų3421%0.21419%0.188CC..  trans-69.7142.9-179.232.9-37.5000110.9I400 M718 L726 T747I400-P721 HydrophobicContact CG1-CB 4.11Å; I400-P721 HydrophobicContact CG1-CG 4.23Å; I400-P721 HydrophobicContact CG2-CG 4.27Å; M718-P721 HydrophobicContact CB-CB 4.49Å; M718-P721 HydrophobicContact CG-CB 4.22Å; M718-P721 HydrophobicContact SD-CB 4.01Å; P721-L726 HydrophobicContact CB-CD1 3.93Å; P721-L726 HydrophobicContact CB-CG 4.26Å; P721-T747 HydrophobicContact CB-CG2 4.43Å; P721-T747 HydrophobicContact CG-CG2 3.73Å
722N92.9Very high95.6Very high72 Ų7236.8 Ų36.839%0.38520%0.198SC..  trans-144.6166.7167.968.441.7000109G724 K725 L726N722-G724 VanDerWaalsContact C-N 3.32Å; N722-G724 PolarHBondContact O-N 3.17Å; N722-G724 PolarHBondContact OD1-N 3Å; N722-K725 PolarHBondContact O-N 2.86Å; N722-K725 WeakPolarHBondContact OD1-CB 3.22Å; N722-K725 WeakPolarHBondContact OD1-CG 3.47Å; N722-K725 PolarHBondContact OD1-N 2.86Å; N722-L726 PolarHBondContact O-N 3.4Å
723Y94.2Very high95.6Very high96 Ų9636.5 Ų36.538%0.37620%0.197SC..Hα-helixtrans-54.8-44.7-176.5-75-93.5000113.4Y393 I396 T727Y393-Y723 AromaticContact CD1-CD1 3.42Å; Y393-Y723 HydrophobicContact CD1-CD1 3.42Å; Y393-Y723 VanDerWaalsContact CD1-CD1 3.42Å; Y393-Y723 AromaticContact CD1-CE1 3.67Å; Y393-Y723 HydrophobicContact CD1-CE1 3.67Å; Y393-Y723 HydrophobicContact CD1-CG 4.46Å; Y393-Y723 AromaticContact CE1-CD1 3.96Å; Y393-Y723 HydrophobicContact CE1-CD1 3.96Å; Y393-Y723 HydrophobicContact CG-CD1 4.43Å; Y393-Y723 HydrophobicContact CG-CE1 4.27Å; I396-Y723 HydrophobicContact CB-CD1 4.15Å; I396-Y723 HydrophobicContact CB-CE1 4.24Å; I396-Y723 HydrophobicContact CG2-CD1 3.68Å; I396-Y723 HydrophobicContact CG2-CE1 3.96Å; I396-Y723 HydrophobicContact CG2-CG 4.18Å; Y723-T727 WeakPolarHBondContact O-CB 3.46Å; Y723-T727 PolarHBondContact O-N 2.6Å; Y723-T727 PolarHBondContact O-OG1 3.25Å
724G95.4Very high95.6Very high51 Ų5137.8 Ų37.853%0.52620%0.201SC..Hα-helixtrans-65.8-47.2-179.700000113.1N722 T727 S728N722-G724 VanDerWaalsContact C-N 3.32Å; N722-G724 PolarHBondContact O-N 3.17Å; N722-G724 PolarHBondContact OD1-N 3Å; G724-T727 PolarHBondContact O-N 3.06Å; G724-S728 WeakPolarHBondContact O-CB 3.38Å; G724-S728 PolarHBondContact O-N 2.98Å; G724-S728 PolarHBondContact O-OG 2.65Å
725K94.6Very high95.6Very high103 Ų10343.7 Ų43.745%0.44823%0.227SC..Hα-helixtrans-63.6-47.9179.8-72.1179.1-178.2176.30111.4M718 N722 S728 M729M718-K725 HydrophobicContact CE-CB 3.93Å; M718-K725 HydrophobicContact SD-CB 3.57Å; M718-K725 VanDerWaalsContact SD-CB 3.57Å; M718-K725 HydrophobicContact SD-CD 4.19Å; N722-K725 PolarHBondContact O-N 2.86Å; N722-K725 WeakPolarHBondContact OD1-CB 3.22Å; N722-K725 WeakPolarHBondContact OD1-CG 3.47Å; N722-K725 PolarHBondContact OD1-N 2.86Å; K725-S728 PolarHBondContact O-N 3.04Å; K725-S728 PolarHBondContact O-OG 3.18Å; K725-M729 WeakPolarHBondContact O-CB 3.47Å; K725-M729 PolarHBondContact O-N 3.3Å
726L95.4Very high95.6Very high0 Ų047.1 Ų47.10%024%0.241CC..Hα-helixtrans-64.5-42.2178.9-73.7175.7000111.8I396 I400 M718 P721 N722 M729 H730 L745I396-L726 HydrophobicContact CD1-CB 4.23Å; I396-L726 HydrophobicContact CG1-CB 4.44Å; I396-L726 HydrophobicContact CG2-CB 4.24Å; I396-L726 HydrophobicContact CG2-CD1 3.73Å; I400-L726 HydrophobicContact CD1-CD1 3.92Å; I400-L726 HydrophobicContact CG1-CD1 3.53Å; M718-L726 HydrophobicContact CE-CD2 3.83Å; M718-L726 HydrophobicContact CE-CG 4.39Å; M718-L726 HydrophobicContact SD-CD2 3.83Å; M718-L726 HydrophobicContact SD-CG 3.99Å; P721-L726 HydrophobicContact CB-CD1 3.93Å; P721-L726 HydrophobicContact CB-CG 4.26Å; N722-L726 PolarHBondContact O-N 3.4Å; L726-M729 HydrophobicContact CD2-CE 4.09Å; L726-M729 PolarHBondContact O-N 3.44Å; L726-H730 PolarHBondContact O-CD2 3.49Å; L726-H730 VanDerWaalsContact O-CD2 3.24Å; L726-H730 PolarHBondContact O-N 3.15Å; L726-L745 HydrophobicContact CD1-CD2 3.89Å; L726-L745 HydrophobicContact CD2-CD1 3.69Å; L726-L745 HydrophobicContact CD2-CD2 3.76Å; L726-L745 HydrophobicContact CD2-CG 4.4Å
727T96.8Very high95.6Very high37 Ų3748 Ų4823%0.22725%0.249CC..Hα-helixtrans-57.5-53.3173.9-60.90000110.7W392 I396 Y723 G724 M729 H730 F731W392-T727 HydrophobicContact CZ2-CG2 4.48Å; W392-T727 PolarHBondContact NE1-OG1 3.37Å; I396-T727 WeakPolarHBondContact CD1-OG1 3.33Å; Y723-T727 WeakPolarHBondContact O-CB 3.46Å; Y723-T727 PolarHBondContact O-N 2.6Å; Y723-T727 PolarHBondContact O-OG1 3.25Å; G724-T727 PolarHBondContact O-N 3.06Å; T727-M729 PolarHBondContact O-N 2.81Å; T727-H730 PolarHBondContact O-N 3.39Å; T727-F731 HydrophobicContact CG2-CD2 3.7Å; T727-F731 HydrophobicContact CG2-CE2 3.86Å; T727-F731 WeakPolarHBondContact O-CB 3.23Å; T727-F731 WeakPolarHBondContact O-CD2 3.42Å; T727-F731 PolarHBondContact O-N 3.32Å
728S96.5Very high95.7Very high65 Ų6547.2 Ų47.246%0.45525%0.246SC..Hα-helixtrans-58.9-36.8-179.273.90000112.9G724 K725 Y732G724-S728 WeakPolarHBondContact O-CB 3.38Å; G724-S728 PolarHBondContact O-N 2.98Å; G724-S728 PolarHBondContact O-OG 2.65Å; K725-S728 PolarHBondContact O-N 3.04Å; K725-S728 PolarHBondContact O-OG 3.18Å; S728-Y732 WeakPolarHBondContact O-CB 3.46Å; S728-Y732 PolarHBondContact O-N 3.26Å
729M96.9Very high96Very high10 Ų1046.5 Ų46.55%0.04924%0.243CC..Hα-helixtrans-69.5-49.9-179.9-179.5-77.5-6200111.6I698 I716 M718 K725 L726 T727 Y732 G733 M742I698-M729 HydrophobicContact CD1-CG 3.81Å; I698-M729 HydrophobicContact CD1-SD 3.99Å; I716-M729 HydrophobicContact CB-CE 4.36Å; I716-M729 HydrophobicContact CB-SD 4.44Å; I716-M729 HydrophobicContact CD1-SD 3.94Å; I716-M729 HydrophobicContact CG1-CE 4.19Å; I716-M729 HydrophobicContact CG1-SD 3.79Å; I716-M729 HydrophobicContact CG2-CE 3.86Å; I716-M729 HydrophobicContact CG2-CG 4.14Å; I716-M729 HydrophobicContact CG2-SD 3.98Å; M718-M729 HydrophobicContact CE-CB 4.37Å; K725-M729 WeakPolarHBondContact O-CB 3.47Å; K725-M729 PolarHBondContact O-N 3.3Å; L726-M729 HydrophobicContact CD2-CE 4.09Å; L726-M729 PolarHBondContact O-N 3.44Å; T727-M729 PolarHBondContact O-N 2.81Å; M729-Y732 WeakPolarHBondContact O-CB 2.92Å; M729-Y732 PolarHBondContact O-N 3.14Å; M729-G733 PolarHBondContact O-N 2.61Å; M729-M742 HydrophobicContact CE-SD 4.32Å
730H98.1Very high96.4Very high1 Ų145.3 Ų45.31%0.00523%0.233CC..Hα-helixtrans-62.1-47.4179.4-74.1-51.8000111.8W392 Q399 Y409 L726 T727 Y732 G733 W734W392-H730 HydrophobicContact CH2-CB 3.59Å; W392-H730 AromaticContact CH2-CD2 3.85Å; W392-H730 AromaticContact CH2-CG 3.94Å; W392-H730 HydrophobicContact CZ2-CB 3.83Å; W392-H730 AromaticContact CZ2-CD2 3.91Å; Q399-H730 PolarHBondContact OE1-NE2 2.91Å; Y409-H730 PolarHBondContact OH-O 3.33Å; Y409-H730 VanDerWaalsContact OH-O 3.05Å; L726-H730 PolarHBondContact O-CD2 3.49Å; L726-H730 VanDerWaalsContact O-CD2 3.24Å; L726-H730 PolarHBondContact O-N 3.15Å; T727-H730 PolarHBondContact O-N 3.39Å; H730-Y732 VanDerWaalsContact C-N 3.26Å; H730-Y732 PolarHBondContact O-N 3.29Å; H730-G733 PolarHBondContact O-N 3.12Å; H730-W734 WeakPolarHBondContact O-CB 3.37Å; H730-W734 PolarHBondContact O-N 3.25Å
731F98.2Very high96.7Very high21 Ų2139.5 Ų39.59%0.09221%0.207CC..Hα-helixtrans-61.2-35.9176.3-88.5-87000112.3M341 I344 E345 W392 T727 W734 K735M341-F731 HydrophobicContact CE-CD1 4.11Å; M341-F731 HydrophobicContact CE-CD2 4.16Å; M341-F731 HydrophobicContact CE-CE1 4Å; M341-F731 HydrophobicContact CE-CE2 4.09Å; M341-F731 HydrophobicContact CE-CG 4.19Å; M341-F731 HydrophobicContact CE-CZ 4.01Å; M341-F731 WeakPolarHBondContact O-CE1 3.34Å; I344-F731 HydrophobicContact CB-CZ 3.85Å; I344-F731 HydrophobicContact CG2-CE2 3.83Å; I344-F731 HydrophobicContact CG2-CZ 3.59Å; E345-F731 HydrophobicContact CB-CE1 3.8Å; E345-F731 HydrophobicContact CB-CZ 4.26Å; W392-F731 HydrophobicContact CH2-CE2 4.45Å; W392-F731 HydrophobicContact CZ2-CD2 4.12Å; W392-F731 AromaticContact CZ2-CE2 3.94Å; W392-F731 HydrophobicContact CZ2-CE2 3.94Å; T727-F731 HydrophobicContact CG2-CD2 3.7Å; T727-F731 HydrophobicContact CG2-CE2 3.86Å; T727-F731 WeakPolarHBondContact O-CB 3.23Å; T727-F731 WeakPolarHBondContact O-CD2 3.42Å; T727-F731 PolarHBondContact O-N 3.32Å; F731-W734 AromaticContact CD1-CE3 3.8Å; F731-W734 HydrophobicContact CD1-CE3 3.8Å; F731-W734 AromaticContact CD1-CZ3 3.98Å; F731-W734 HydrophobicContact CD1-CZ3 3.98Å; F731-W734 HydrophobicContact CE1-CE3 4.17Å; F731-W734 HydrophobicContact CE1-CZ3 4.06Å; F731-K735 WeakPolarHBondContact O-CB 3.4Å; F731-K735 VanDerWaalsContact O-CG 3.28Å; F731-K735 WeakPolarHBondContact O-CG 3.21Å; F731-K735 PolarHBondContact O-N 3.39Å
732Y98.2Very high97.1Very high63 Ų6338 Ų3825%0.24720%0.196CC..Hα-helixtrans-63.9-48.1175.2-166.8-103.4000111.6K695 I698 D699 S728 M729 H730 W734 K735 K736K695-Y732 HydrophobicContact CB-CD1 4.47Å; K695-Y732 HydrophobicContact CB-CE1 4.07Å; K695-Y732 HydrophobicContact CG-CD1 4.15Å; K695-Y732 HydrophobicContact CG-CE1 4.13Å; I698-Y732 HydrophobicContact CB-CD1 4.09Å; I698-Y732 HydrophobicContact CB-CE1 4.34Å; I698-Y732 HydrophobicContact CD1-CD1 4.14Å; I698-Y732 HydrophobicContact CG2-CD1 3.61Å; I698-Y732 HydrophobicContact CG2-CE1 3.94Å; D699-Y732 WeakPolarHBondContact OD1-CE1 3.46Å; D699-Y732 PolarHBondContact OD1-OH 2.78Å; D699-Y732 PolarHBondContact OD2-OH 2.87Å; S728-Y732 WeakPolarHBondContact O-CB 3.46Å; S728-Y732 PolarHBondContact O-N 3.26Å; M729-Y732 WeakPolarHBondContact O-CB 2.92Å; M729-Y732 PolarHBondContact O-N 3.14Å; H730-Y732 VanDerWaalsContact C-N 3.26Å; H730-Y732 PolarHBondContact O-N 3.29Å; Y732-W734 PolarHBondContact O-N 3.39Å; Y732-K735 PolarHBondContact O-N 2.9Å; Y732-K736 HydrophobicContact CD1-CG 4.34Å; Y732-K736 HydrophobicContact CE1-CG 4.13Å; Y732-K736 WeakPolarHBondContact O-CB 3.41Å; Y732-K736 VanDerWaalsContact O-CG 3.23Å; Y732-K736 WeakPolarHBondContact O-CG 3.42Å; Y732-K736 PolarHBondContact O-N 3.45Å; Y732-K736 WeakPolarHBondContact OH-CE 3.49Å; Y732-K736 PolarHBondContact OH-NZ 3.37Å
733G97.9Very high97.3Very high1 Ų135.4 Ų35.41%0.0118%0.181CC..Hα-helixtrans-61.5-42.2176.500000113.4M729 H730 K736 G737 L738M729-G733 PolarHBondContact O-N 2.61Å; H730-G733 PolarHBondContact O-N 3.12Å; G733-K736 PolarHBondContact O-N 3.33Å; G733-G737 PolarHBondContact O-N 3.3Å; G733-L738 WeakPolarHBondContact O-CB 3.38Å; G733-L738 WeakPolarHBondContact O-CG 3.39Å; G733-L738 PolarHBondContact O-N 3Å; G733-L738 VanDerWaalsContact O-N 3.16Å
734W98.3Very high97.5Very high33 Ų3332.2 Ų32.213%0.12517%0.169CC..Hα-helixtrans-61.5-51175173.359.4000112D338 M341 R342 Y409 H730 F731 Y732 K736 G737D338-W734 HydrophobicContact CB-CZ2 4.28Å; D338-W734 PolarHBondContact OD1-NE1 2.88Å; M341-W734 HydrophobicContact CB-CD2 3.66Å; M341-W734 HydrophobicContact CB-CE3 3.86Å; M341-W734 HydrophobicContact CB-CG 4.31Å; M341-W734 HydrophobicContact CB-CH2 3.83Å; M341-W734 HydrophobicContact CB-CZ2 3.62Å; M341-W734 HydrophobicContact CB-CZ3 3.93Å; M341-W734 HydrophobicContact CE-CB 4.06Å; M341-W734 HydrophobicContact CE-CD2 4.23Å; M341-W734 HydrophobicContact CE-CE3 4.24Å; M341-W734 HydrophobicContact CE-CG 4.14Å; M341-W734 HydrophobicContact CG-CD2 3.93Å; M341-W734 HydrophobicContact CG-CE3 4.48Å; M341-W734 HydrophobicContact CG-CG 4.05Å; M341-W734 HydrophobicContact CG-CZ2 4.49Å; R342-W734 HydrophobicContact CG-CH2 3.75Å; R342-W734 HydrophobicContact CG-CZ2 4.05Å; Y409-W734 HydrophobicContact CD1-CB 4.44Å; Y409-W734 AromaticContact CD1-CD1 3.72Å; Y409-W734 HydrophobicContact CD1-CG 4.36Å; Y409-W734 HydrophobicContact CE1-CB 3.81Å; Y409-W734 AromaticContact CE1-CD1 3.9Å; Y409-W734 HydrophobicContact CE1-CG 4.09Å; Y409-W734 HydrophobicContact CE2-CB 4.07Å; H730-W734 WeakPolarHBondContact O-CB 3.37Å; H730-W734 PolarHBondContact O-N 3.25Å; F731-W734 AromaticContact CD1-CE3 3.8Å; F731-W734 HydrophobicContact CD1-CE3 3.8Å; F731-W734 AromaticContact CD1-CZ3 3.98Å; F731-W734 HydrophobicContact CD1-CZ3 3.98Å; F731-W734 HydrophobicContact CE1-CE3 4.17Å; F731-W734 HydrophobicContact CE1-CZ3 4.06Å; Y732-W734 PolarHBondContact O-N 3.39Å; W734-K736 PolarHBondContact O-N 3.09Å; W734-G737 WeakPolarHBondContact O-CA 3.38Å; W734-G737 PolarHBondContact O-N 3.35Å
735K98Very high97.5Very high128 Ų12830.1 Ų30.156%0.55715%0.146SC*.Hα-helixtrans-63.8-28.8179.4-73.5-179.8178.4-175.10113.2E345 F731 Y732 G737E345-K735 IonicContact OE1-NZ 2.62Å; E345-K735 PolarHBondContact OE1-NZ 2.69Å; E345-K735 IonicContact OE2-NZ 2.92Å; F731-K735 WeakPolarHBondContact O-CB 3.4Å; F731-K735 VanDerWaalsContact O-CG 3.28Å; F731-K735 WeakPolarHBondContact O-CG 3.21Å; F731-K735 PolarHBondContact O-N 3.39Å; Y732-K735 PolarHBondContact O-N 2.9Å; K735-G737 PolarHBondContact O-N 3.2Å
736K97.5Very high97.6Very high86 Ų8630.1 Ų30.137%0.37414%0.143SC..THydrogen-bonded Turntrans-72.9-7.9171.4-73-79.9172.4152.60113.1W577 I698 D699 A702 Y732 G733 W734W577-K736 WeakPolarHBondContact CZ3-O 3.28Å; I698-K736 HydrophobicContact CG2-CB 4.43Å; I698-K736 HydrophobicContact CG2-CG 4.28Å; D699-K736 WeakPolarHBondContact OD1-CE 3.45Å; D699-K736 IonicContact OD1-NZ 3.92Å; D699-K736 PolarHBondContact OD1-NZ 3.03Å; A702-K736 HydrophobicContact CB-CB 4.14Å; A702-K736 HydrophobicContact CB-CD 4.5Å; Y732-K736 HydrophobicContact CD1-CG 4.34Å; Y732-K736 HydrophobicContact CE1-CG 4.13Å; Y732-K736 WeakPolarHBondContact O-CB 3.41Å; Y732-K736 VanDerWaalsContact O-CG 3.23Å; Y732-K736 WeakPolarHBondContact O-CG 3.42Å; Y732-K736 PolarHBondContact O-N 3.45Å; Y732-K736 WeakPolarHBondContact OH-CE 3.49Å; Y732-K736 PolarHBondContact OH-NZ 3.37Å; G733-K736 PolarHBondContact O-N 3.33Å; W734-K736 PolarHBondContact O-N 3.09Å
737G97.6Very high97.4Very high17 Ų1733 Ų3318%0.17516%0.16CC..THydrogen-bonded Turntrans8021.1176.500000113.9K416 W577 G733 W734 K735K416-G737 PolarHBondContact NZ-O 3.33Å; W577-G737 WeakPolarHBondContact CH2-O 3.4Å; W577-G737 WeakPolarHBondContact CZ3-O 3.48Å; G733-G737 PolarHBondContact O-N 3.3Å; W734-G737 WeakPolarHBondContact O-CA 3.38Å; W734-G737 PolarHBondContact O-N 3.35Å; K735-G737 PolarHBondContact O-N 3.2Å
738L98.5Very high96.9Very high3 Ų335 Ų352%0.01617%0.166CC..  trans-54.9147.3173.5-68.1-175.9000110.8Y409 A412 I698 A701 A702 L714 G733Y409-L738 WeakPolarHBondContact CD2-O 3.49Å; A412-L738 WeakPolarHBondContact CB-O 3.25Å; I698-L738 HydrophobicContact CG2-CD1 3.96Å; A701-L738 HydrophobicContact CB-CD2 4Å; A702-L738 HydrophobicContact CB-CD2 4.11Å; L714-L738 HydrophobicContact CD2-CD1 3.68Å; G733-L738 WeakPolarHBondContact O-CB 3.38Å; G733-L738 WeakPolarHBondContact O-CG 3.39Å; G733-L738 PolarHBondContact O-N 3Å; G733-L738 VanDerWaalsContact O-N 3.16Å
739K98.7Very high95.8Very high7 Ų736.6 Ų36.63%0.0318%0.175CC..SBendtrans-81.9-52.7170.1-73.2174.3174.61800110.1V408 Y409 A412 K416 Q573 D709 Q710 S711V408-K739 WeakPolarHBondContact CG1-O 2.96Å; Y409-K739 PolarHBondContact N-O 2.91Å; A412-K739 HydrophobicContact CB-CG 4.31Å; K416-K739 VanDerWaalsContact O-CE 3.26Å; K416-K739 WeakPolarHBondContact O-CE 3.39Å; K416-K739 PolarHBondContact O-NZ 2.97Å; Q573-K739 VanDerWaalsContact NE2-NZ 3.13Å; D709-K739 PolarHBondContact O-NZ 3.29Å; Q710-K739 WeakPolarHBondContact O-CD 3.37Å; Q710-K739 VanDerWaalsContact O-CE 3.32Å; Q710-K739 WeakPolarHBondContact O-CE 3.34Å; Q710-K739 PolarHBondContact O-NZ 2.97Å; S711-K739 WeakPolarHBondContact OG-CB 3.47Å
740T98.6Very high94.1Very high1 Ų141 Ų411%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-101.2110.7169.6-610000109V408 T432 S711 Q712V408-T740 HydrophobicContact CG2-CG2 4.49Å; T432-T740 PolarHBondContact O-OG1 3.44Å; T432-T740 VanDerWaalsContact OG1-CG2 3.31Å; T432-T740 WeakPolarHBondContact OG1-CG2 3.22Å; S711-T740 WeakPolarHBondContact OG-CB 3.44Å; S711-T740 PolarHBondContact OG-N 3Å; S711-T740 PolarHBondContact OG-OG1 3.37Å; Q712-T740 WeakPolarHBondContact O-CB 3.41Å
741G97.8Very high92Very high2 Ų245.7 Ų45.72%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-76.1-35.2175.600000112.7M407 Y409M407-G741 PolarHBondContact O-N 3.36Å; Y409-G741 VanDerWaalsContact CE2-CA 3.49Å
742M98.4Very high89.9Confident0 Ų050 Ų500%027%0.27CS..EExtended strand (participates in β ladder)trans-157.8127.9179-171.2-176.87900110.9Q399 P405 M407 L714 I716 M729 L745Q399-M742 HydrophobicContact CG-CE 3.86Å; Q399-M742 VanDerWaalsContact NE2-CE 3.3Å; P405-M742 WeakPolarHBondContact O-CE 3.4Å; M407-M742 HydrophobicContact CB-CB 4.06Å; M407-M742 HydrophobicContact CG-CB 4.14Å; M407-M742 HydrophobicContact CG-CE 4.24Å; M407-M742 PolarHBondContact N-O 2.89Å; M407-M742 PolarHBondContact O-N 3.49Å; L714-M742 CarbonylContact O-C 3.6Å; L714-M742 WeakPolarHBondContact O-CA 3.49Å; I716-M742 HydrophobicContact CB-CG 4.13Å; I716-M742 HydrophobicContact CB-SD 4.4Å; I716-M742 HydrophobicContact CG1-CB 4.29Å; I716-M742 HydrophobicContact CG1-CG 3.87Å; M729-M742 HydrophobicContact CE-SD 4.32Å; M742-L745 HydrophobicContact CE-CB 4.01Å; M742-L745 HydrophobicContact SD-CB 3.64Å; M742-L745 HydrophobicContact SD-CD1 4.33Å
743Y98.1Very high87.6Confident18 Ų1851.2 Ų51.27%0.07129%0.293CS..SBendtrans-80-93.3163.2-178.1-148.3000108.6F406 C431 T432 P609 L714 N715F406-Y743 HydrophobicContact CD1-CD2 4.04Å; F406-Y743 HydrophobicContact CD1-CE2 4.45Å; F406-Y743 WeakPolarHBondContact CD1-O 3.16Å; F406-Y743 HydrophobicContact CD2-CD2 4.13Å; F406-Y743 HydrophobicContact CD2-CE2 4.22Å; F406-Y743 AromaticContact CE1-CD2 3.89Å; F406-Y743 HydrophobicContact CE1-CD2 3.89Å; F406-Y743 AromaticContact CE1-CE2 3.89Å; F406-Y743 HydrophobicContact CE1-CE2 3.89Å; F406-Y743 HydrophobicContact CE2-CD2 4.02Å; F406-Y743 AromaticContact CE2-CE2 3.66Å; F406-Y743 HydrophobicContact CE2-CE2 3.66Å; F406-Y743 HydrophobicContact CG-CD2 4.15Å; F406-Y743 AromaticContact CZ-CD2 3.89Å; F406-Y743 HydrophobicContact CZ-CD2 3.89Å; F406-Y743 AromaticContact CZ-CE2 3.46Å; F406-Y743 HydrophobicContact CZ-CE2 3.46Å; F406-Y743 VanDerWaalsContact CZ-CE2 3.46Å; C431-Y743 PolarHBondContact SG-OH 3.24Å; C431-Y743 VanDerWaalsContact SG-OH 3.41Å; T432-Y743 HydrophobicContact CG2-CD2 3.77Å; T432-Y743 HydrophobicContact CG2-CE2 4.36Å; T432-Y743 WeakPolarHBondContact OG1-CB 2.86Å; P609-Y743 HydrophobicContact CG-CD1 4.44Å; P609-Y743 HydrophobicContact CG-CE1 3.8Å; L714-Y743 PolarHBondContact O-N 3.28Å; N715-Y743 WeakPolarHBondContact OD1-CB 3.49Å; N715-Y743 WeakPolarHBondContact OD1-CD1 3.35Å
744Y96.9Very high85.2Confident30 Ų3056.8 Ų56.812%0.11832%0.321CS..  trans-95.5143.2169.2-70.2-78.7000112.7F331 T404 F406 N715 I716F331-Y744 HydrophobicContact CD1-CE1 4.41Å; F331-Y744 VanDerWaalsContact CD1-OH 3.24Å; F331-Y744 WeakPolarHBondContact CD1-OH 3.25Å; F331-Y744 HydrophobicContact CE1-CE1 4.43Å; F331-Y744 WeakPolarHBondContact CE1-OH 3.39Å; T404-Y744 HydrophobicContact CG2-CD1 4.04Å; T404-Y744 HydrophobicContact CG2-CE1 3.9Å; F406-Y744 AromaticContact CE1-CD1 3.9Å; F406-Y744 HydrophobicContact CE1-CD1 3.9Å; F406-Y744 AromaticContact CE1-CE1 3.6Å; F406-Y744 HydrophobicContact CE1-CE1 3.6Å; F406-Y744 HydrophobicContact CE1-CE2 4.35Å; F406-Y744 HydrophobicContact CE1-CG 4.37Å; F406-Y744 AromaticContact CE1-CZ 3.82Å; F406-Y744 HydrophobicContact CZ-CE1 4.05Å; F406-Y744 HydrophobicContact CZ-CE2 4.42Å; F406-Y744 AromaticContact CZ-CZ 3.86Å; N715-Y744 WeakPolarHBondContact OD1-CB 3.49Å; N715-Y744 PolarHBondContact OD1-N 3.22Å; I716-Y744 PolarHBondContact N-O 3.02Å
745L97.2Very high83.3Confident6 Ų657.8 Ų57.83%0.03133%0.327CS..EExtended strand (participates in β ladder)trans-82.2121.9154.2-176.163.6000109.1Q399 G403 I716 M718 L726 M742 T747Q399-L745 HydrophobicContact CB-CD2 4.08Å; G403-L745 WeakPolarHBondContact CA-O 3.24Å; G403-L745 PolarHBondContact O-N 3.22Å; G403-L745 VanDerWaalsContact O-N 3.1Å; I716-L745 HydrophobicContact CB-CD1 4.41Å; I716-L745 HydrophobicContact CG2-CD1 4.11Å; M718-L745 HydrophobicContact CB-CD1 4.16Å; L726-L745 HydrophobicContact CD1-CD2 3.89Å; L726-L745 HydrophobicContact CD2-CD1 3.69Å; L726-L745 HydrophobicContact CD2-CD2 3.76Å; L726-L745 HydrophobicContact CD2-CG 4.4Å; M742-L745 HydrophobicContact CE-CB 4.01Å; M742-L745 HydrophobicContact SD-CB 3.64Å; M742-L745 HydrophobicContact SD-CD1 4.33Å; L745-T747 HydrophobicContact CD2-CG2 4.15Å; L745-T747 HydrophobicContact CG-CG2 4.02Å
746R95.2Very high81.2Confident104 Ų10460.3 Ų60.339%0.39234%0.339SS..EExtended strand (participates in β ladder)trans-106.5126.5174.5-58.1-60.9-170.2-175-1.4109.4W690 I716 Y717 M718W690-R746 HydrophobicContact CH2-CB 4.06Å; W690-R746 WeakPolarHBondContact CZ3-O 3.24Å; I716-R746 PolarHBondContact O-N 2.78Å; Y717-R746 HydrophobicContact CD1-CB 3.49Å; Y717-R746 VanDerWaalsContact CD1-CB 3.49Å; Y717-R746 HydrophobicContact CD1-CG 3.98Å; Y717-R746 HydrophobicContact CE1-CB 3.64Å; Y717-R746 HydrophobicContact CE1-CG 3.62Å; Y717-R746 HydrophobicContact CG-CB 4.13Å; M718-R746 PolarHBondContact N-O 3.42Å
747T92.4Very high79.1Confident59 Ų5961.2 Ų61.236%0.36235%0.351SS..  trans-120.8164.4-177.963.30000110.8M718 P721 L745M718-T747 WeakPolarHBondContact O-CA 3.49Å; P721-T747 HydrophobicContact CB-CG2 4.43Å; P721-T747 HydrophobicContact CG-CG2 3.73Å; L745-T747 HydrophobicContact CD2-CG2 4.15Å; L745-T747 HydrophobicContact CG-CG2 4.02Å
748K85.3Confident77.2Confident79 Ų7961 Ų6134%0.34335%0.347SS..  trans-102.3144.4167.5-73.1-174.4175.5171.50108.9W690 A719W690-K748 HydrophobicContact CD2-CD 4.24Å; W690-K748 HydrophobicContact CD2-CG 4.28Å; W690-K748 VanDerWaalsContact CE2-CE 3.44Å; W690-K748 HydrophobicContact CE3-CD 4.39Å; W690-K748 HydrophobicContact CE3-CG 4.13Å; W690-K748 HydrophobicContact CH2-CG 3.97Å; W690-K748 HydrophobicContact CZ2-CG 4.14Å; W690-K748 HydrophobicContact CZ3-CG 3.98Å; A719-K748 HydrophobicContact CB-CB 4.4Å; A719-K748 HydrophobicContact CB-CD 4.1Å; A719-K748 HydrophobicContact CB-CG 4.31Å; A719-K748 PolarHBondContact O-N 3.09Å
749P74.7Confident75.5Confident100 Ų10065.2 Ų65.265%0.64937%0.369SS*.  trans-54142.6170.3-24.534.1000111.4S751P749-S751 VanDerWaalsContact C-N 3.32Å
750A60.3Low73.9Confident103 Ų10370.3 Ų70.385%0.85139%0.391SS*.SBendtrans-70.8-28.3179.400000112.9
751S54Low72Confident98 Ų9876.6 Ų76.669%0.68542%0.424SS*.SBendtrans-107.3136.7175.755.20000111.1P749P749-S751 VanDerWaalsContact C-N 3.32Å
752D53.6Low70.4Confident112 Ų11278.8 Ų78.860%0.59944%0.442SS*.PPolyproline II helixtrans-83.6124.9174.4-76.4-15.7000110.2K669 I754K669-D752 IonicContact NZ-OD1 2.6Å; K669-D752 PolarHBondContact NZ-OD1 3.15Å; K669-D752 IonicContact NZ-OD2 3.54Å; K669-D752 PolarHBondContact NZ-OD2 3.24Å; D752-I754 PolarHBondContact O-N 2.7Å
753A50Low68.6Low89 Ų8980.7 Ų80.774%0.73645%0.452SS*.PPolyproline II helixtrans-60.3134.4164.100000109Q755A753-Q755 PolarHBondContact O-N 3.3Å; A753-Q755 VanDerWaalsContact O-N 3.08Å
754I48.8Very low67Low117 Ų11787.7 Ų87.760%0.648%0.478SS*.PPolyproline II helixtrans-57.6117.5176.1-62.5173.5000108.4D752 F756D752-I754 PolarHBondContact O-N 2.7Å; I754-F756 HydrophobicContact CB-CE2 3.99Å; I754-F756 HydrophobicContact CB-CZ 4.03Å; I754-F756 HydrophobicContact CG2-CD1 4.31Å; I754-F756 HydrophobicContact CG2-CD2 4.43Å; I754-F756 HydrophobicContact CG2-CE1 3.97Å; I754-F756 HydrophobicContact CG2-CE2 4.1Å; I754-F756 HydrophobicContact CG2-CZ 3.86Å; I754-F756 WeakPolarHBondContact O-CD2 3.5Å; I754-F756 WeakPolarHBondContact O-CE2 3.4Å; I754-F756 PolarHBondContact O-N 2.92Å; I754-F756 VanDerWaalsContact O-N 3.16Å
755Q58Low65.1Low55 Ų5588.7 Ų88.726%0.25749%0.493SS..  trans-75.7101.8176.1-66.6-176.2-13.100109.8V666 A753 V758V666-Q755 PolarHBondContact O-NE2 3.08Å; A753-Q755 PolarHBondContact O-N 3.3Å; A753-Q755 VanDerWaalsContact O-N 3.08Å; Q755-V758 HydrophobicContact CB-CG2 4.39Å
756F53.4Low63.1Low181 Ų18191.9 Ų91.979%0.79451%0.51SS*.THydrogen-bonded Turntrans-80.2-16.7178.7-66.9-79.8000113.8I754I754-F756 HydrophobicContact CB-CE2 3.99Å; I754-F756 HydrophobicContact CB-CZ 4.03Å; I754-F756 HydrophobicContact CG2-CD1 4.31Å; I754-F756 HydrophobicContact CG2-CD2 4.43Å; I754-F756 HydrophobicContact CG2-CE1 3.97Å; I754-F756 HydrophobicContact CG2-CE2 4.1Å; I754-F756 HydrophobicContact CG2-CZ 3.86Å; I754-F756 WeakPolarHBondContact O-CD2 3.5Å; I754-F756 WeakPolarHBondContact O-CE2 3.4Å; I754-F756 PolarHBondContact O-N 2.92Å; I754-F756 VanDerWaalsContact O-N 3.16Å
757T53.6Low61.1Low105 Ų10593.4 Ų93.464%0.64452%0.522SS*.THydrogen-bonded Turntrans-87.7-1.9-172.953.70000114.6
758V57.1Low59Low12 Ų1299 Ų997%0.07354%0.541CS..SBendtrans-108.8120.8-175.7-176.60000108.6V666 A667 Q755 K760 L763V666-V758 HydrophobicContact CB-CG2 4.32Å; V666-V758 HydrophobicContact CG1-CG2 3.63Å; A667-V758 HydrophobicContact CB-CG1 4.37Å; Q755-V758 HydrophobicContact CB-CG2 4.39Å; V758-K760 VanDerWaalsContact C-N 3.32Å; V758-K760 PolarHBondContact O-N 3.49Å; V758-L763 HydrophobicContact CG1-CD1 3.25Å; V758-L763 HydrophobicContact CG1-CG 4.25Å
759D64.7Low57.3Low91 Ų91103.4 Ų103.449%0.48756%0.56SS.*  trans-67.893.4169.6-175.6-8.2000109.4L761 A762 L763D759-L761 PolarHBondContact O-N 2.99Å; D759-L761 WeakPolarHBondContact OD1-CB 3.28Å; D759-L761 PolarHBondContact OD1-N 3.42Å; D759-A762 HydrophobicContact CB-CB 4.06Å; D759-A762 PolarHBondContact O-N 3.07Å; D759-A762 PolarHBondContact OD1-N 3.44Å; D759-L763 PolarHBondContact O-N 3.22Å
760K63.7Low55.7Low114 Ų114105.2 Ų105.250%0.49656%0.56SS.*Hα-helixtrans-63.3-25179.5-66.6-173.3179.1-177.50112.3V758 R764V758-K760 VanDerWaalsContact C-N 3.32Å; V758-K760 PolarHBondContact O-N 3.49Å; K760-R764 WeakPolarHBondContact O-CG 3.34Å; K760-R764 PolarHBondContact O-N 3.13Å; K760-R764 VanDerWaalsContact O-N 3.16Å
761L60.1Low54.5Low134 Ų134105.7 Ų105.770%0.70255%0.552SS**Hα-helixtrans-72-43.1178-66.9170.1000110.4D759 L763 R764 A765D759-L761 PolarHBondContact O-N 2.99Å; D759-L761 WeakPolarHBondContact OD1-CB 3.28Å; D759-L761 PolarHBondContact OD1-N 3.42Å; L761-L763 VanDerWaalsContact C-N 3.33Å; L761-L763 PolarHBondContact O-N 3.02Å; L761-R764 PolarHBondContact O-N 3.47Å; L761-A765 WeakPolarHBondContact O-CB 3.37Å; L761-A765 PolarHBondContact O-N 3.15Å
762A64.3Low53.6Low48 Ų48106.3 Ų106.340%0.39755%0.554SS.*Hα-helixtrans-61.6-38.9175.900000112.6D759 N766D759-A762 HydrophobicContact CB-CB 4.06Å; D759-A762 PolarHBondContact O-N 3.07Å; D759-A762 PolarHBondContact OD1-N 3.44Å; A762-N766 PolarHBondContact O-N 3.44Å
763L60.6Low52.5Low40 Ų40106.6 Ų106.621%0.20956%0.564CS.*Hα-helixtrans-65-49.9175.7-74.4171.9000112.2A664 A667 V758 D759 L761 A765 N766 E767A664-L763 HydrophobicContact CB-CD2 4.34Å; A667-L763 HydrophobicContact CB-CD1 3.87Å; V758-L763 HydrophobicContact CG1-CD1 3.25Å; V758-L763 HydrophobicContact CG1-CG 4.25Å; D759-L763 PolarHBondContact O-N 3.22Å; L761-L763 VanDerWaalsContact C-N 3.33Å; L761-L763 PolarHBondContact O-N 3.02Å; L763-A765 VanDerWaalsContact C-N 3.29Å; L763-A765 PolarHBondContact O-N 3.41Å; L763-N766 PolarHBondContact O-N 3.04Å; L763-N766 VanDerWaalsContact O-N 3.16Å; L763-E767 PolarHBondContact O-N 2.95Å
764R62.6Low51.9Low165 Ų165111.2 Ų111.262%0.62357%0.571SS**Hα-helixtrans-63.6-32.6179.4-74177.6174.8-176-2.1113.1K760 L761 N766 K768K760-R764 WeakPolarHBondContact O-CG 3.34Å; K760-R764 PolarHBondContact O-N 3.13Å; K760-R764 VanDerWaalsContact O-N 3.16Å; L761-R764 PolarHBondContact O-N 3.47Å; R764-N766 VanDerWaalsContact C-N 3.26Å; R764-N766 PolarHBondContact O-N 3.07Å; R764-K768 PolarHBondContact O-N 3.43Å
765A57Low51.2Low51 Ų51111.5 Ų111.542%0.42158%0.583SS.*Hα-helixtrans-66.2-29.2177.400000112.6L761 L763L761-A765 WeakPolarHBondContact O-CB 3.37Å; L761-A765 PolarHBondContact O-N 3.15Å; L763-A765 VanDerWaalsContact C-N 3.29Å; L763-A765 PolarHBondContact O-N 3.41Å
766N55.3Low50Low72 Ų72112.2 Ų112.239%0.38561%0.605SS.*Hα-helixtrans-81.9-35.8176.7-83.2-17.7000113T660 A762 L763 R764 K768 K769T660-N766 VanDerWaalsContact CG2-ND2 3.27Å; T660-N766 WeakPolarHBondContact CG2-ND2 3.34Å; A762-N766 PolarHBondContact O-N 3.44Å; L763-N766 PolarHBondContact O-N 3.04Å; L763-N766 VanDerWaalsContact O-N 3.16Å; R764-N766 VanDerWaalsContact C-N 3.26Å; R764-N766 PolarHBondContact O-N 3.07Å; N766-K768 VanDerWaalsContact C-N 3.25Å; N766-K768 PolarHBondContact O-N 3.25Å; N766-K769 PolarHBondContact O-N 2.92Å; N766-K769 VanDerWaalsContact O-N 3.14Å
767E53.1Low49.1Very low137 Ų137113 Ų11364%0.6461%0.611SS**Hα-helixtrans-58.6-39.4172.7-70.6174167.300111.3L763 K769L763-E767 PolarHBondContact O-N 2.95Å; E767-K769 VanDerWaalsContact C-N 3.33Å; E767-K769 PolarHBondContact O-N 3.34Å
768K48Very low47.8Very low177 Ų177113.1 Ų113.177%0.7762%0.615SS**G310 helixtrans-72-19.4177.6-72.7-172.3176.7-1720114.8R764 N766 Q770R764-K768 PolarHBondContact O-N 3.43Å; N766-K768 VanDerWaalsContact C-N 3.25Å; N766-K768 PolarHBondContact O-N 3.25Å; K768-Q770 VanDerWaalsContact C-N 3.35Å
769K50.5Low46.8Very low171 Ų171121 Ų12174%0.74366%0.656SS**G310 helixtrans-83.9-8.7179.7-80.7-178177.6-178.10113.7N766 E767N766-K769 PolarHBondContact O-N 2.92Å; N766-K769 VanDerWaalsContact O-N 3.14Å; E767-K769 VanDerWaalsContact C-N 3.33Å; E767-K769 PolarHBondContact O-N 3.34Å
770Q41.8Very low45.2Very low137 Ų137123.4 Ų123.464%0.6467%0.668SS**G310 helixtrans-98.64.2-177-72.4-175.7-34.200114.5K768 P772K768-Q770 VanDerWaalsContact C-N 3.35Å; Q770-P772 WeakPolarHBondContact O-CD 3.46Å
771V33.6Very low43.8Very low113 Ų113125.9 Ų125.969%0.68569%0.687SS**SBendtrans-95.2114.1170.8-173.70000109.1S773V771-S773 PolarHBondContact O-N 3.26Å
772P35.1Very low42.5Very low112 Ų112122.9 Ų122.973%0.72769%0.688SS**  trans-67.4122.2171.5-12.127.1000109.3Q770 E774Q770-P772 WeakPolarHBondContact O-CD 3.46Å; P772-E774 PolarHBondContact O-N 2.91Å; P772-E774 VanDerWaalsContact O-N 3.09Å
773S32.2Very low41Very low117 Ų117126.3 Ų126.382%0.81871%0.709SS**  trans-72.194.6168.556.40000109.3V771 S775V771-S773 PolarHBondContact O-N 3.26Å; S773-S775 PolarHBondContact O-N 2.92Å
774E36.9Very low39.6Very low187 Ų187133.7 Ų133.787%0.87474%0.74SS**  trans-75.1101.7162.2-78-174166.900108.9P772 G776P772-E774 PolarHBondContact O-N 2.91Å; P772-E774 VanDerWaalsContact O-N 3.09Å; E774-G776 PolarHBondContact O-N 2.62Å
775S32.7Very low38.3Very low123 Ų123134.8 Ų134.886%0.8675%0.752SS**  trans-71.5105.1158.151.10000108.6S773S773-S775 PolarHBondContact O-N 2.92Å
776G34Very low37.1Very low70 Ų70139.2 Ų139.272%0.72277%0.768SS**  trans-137.6133.2173.100000109.8E774E774-G776 PolarHBondContact O-N 2.62Å
777E33.3Very low36.2Very low197 Ų197140.8 Ų140.892%0.92179%0.791SS**  trans-62.9151.4-158.9-69.2163.1134.800116.7
778C27.3Very low35.1Very low108 Ų108140 Ų14073%0.7380%0.796SS**  trans-68.5123.7173.8-172.30000111.7
779L35Very low34.6Very low176 Ų176138.6 Ų138.692%0.92180%0.797SS**  trans-138.3108.9152.4-79.7176.6000110.2
780L32.2Very low33.8Very low142 Ų142136.6 Ų136.674%0.74380%0.795SS**  trans-65.6135.2168.1-72.5151.5000110.6
781N34.3Very low33.2Very low167 Ų167138 Ų13889%0.89380%0.803SS**  159.4127.9129.5-81.6-22.4000111.6
782G32.3Very low33Very low70 Ų70141.2 Ų141.272%0.72281%0.813SS**  trans144.477.3156.200000117.8
783S33.4Very low32.7Very low120 Ų120145.6 Ų145.684%0.83982%0.824SS**  trans45.7124.1139.754.40000122.9
784F30.9Very low32.6Very low195 Ų195146.3 Ų146.386%0.85583%0.827SS**  trans-42.1145.7160.4-76.4-106.1000116.1
785E34.4Very low32.3Very low188 Ų188140.2 Ų140.288%0.87981%0.814SS**  -174.4126.6115.7-100.3174-172.200114.4
786N32.9Very low32.3Very low144 Ų144141.6 Ų141.677%0.7781%0.811SS**  trans-4138162.5-61.8-29.3000123
787A35.7Very low32.2Very low105 Ų105146.9 Ų146.987%0.86882%0.817SS**  -159.8118.3122.800000111.2
788T31.5Very low32.2Very low121 Ų121140.8 Ų140.874%0.74281%0.807SS**  trans-87142.8177.545.80000112.1
789D36Very low32.4Very low147 Ų147143.5 Ų143.579%0.78681%0.814SS**  trans-154.4103.3145.3-118.1-21.3000111.8
790N33.6Very low32.1Very low130 Ų130141.3 Ų141.370%0.69581%0.812SS**  38.5141.1125.2-67.1-36.2000120.3
791M29.3Very low32.1Very low167 Ų167141.8 Ų141.882%0.82382%0.815SS**  cis-177.8162.3-8.7-140-173.6172.500107.9
792M31Very low32Very low179 Ų179142.3 Ų142.388%0.88281%0.812SS**  trans102.873.3162.4-62.2-157.5-88.100118.9
793E26.8Very low31.8Very low204 Ų204144.5 Ų144.595%0.95382%0.815SS**  trans-75.5141.2132.5-77-178.6146.800109.8
794C31.9Very low31.6Very low132 Ų132146.7 Ų146.789%0.89282%0.817SS**  trans-129.4112.3160.5-179.60000108
795G29.4Very low31.9Very low59 Ų59146.1 Ų146.161%0.60885%0.848SS**  trans-104170.916300000110.7
796L33.8Very low31.8Very low152 Ų152144 Ų14480%0.79685%0.846SS**  trans104.9111.1163.1-57.7164000116.7
797H31.4Very low31.7Very low182 Ų182144 Ų14484%0.84385%0.85SS**  trans65.5117.3132.7-62.9-53.7000120.2
798G32.2Very low31.5Very low69 Ų69146.2 Ų146.271%0.71185%0.849SS**  trans158.495.6157.300000114.2
799D32.2Very low31.5Very low165 Ų165147.6 Ų147.688%0.88286%0.856SS**  trans57.689.5149.3-55.7-20.4000120.3
800C28.5Very low31.2Very low129 Ų129147.7 Ų147.787%0.87286%0.86SS**  trans-86.5110.8156.7179.90000109.8
801L33.1Very low31.1Very low153 Ų153148.9 Ų148.980%0.80187%0.871SS**  trans-147.4102161.9-94168.3000108.2
802H31Very low31.2Very low178 Ų178147.6 Ų147.682%0.82487%0.874SS**  172.1102.8127.3-91.222000112.1
803C27.9Very low31.2Very low116 Ų116145.2 Ų145.278%0.78487%0.874SS**  trans-86.6137.9146.2-69.70000108.3
804N31.1Very low31.6Very low166 Ų166140.3 Ų140.389%0.88887%0.867SS**  trans152.8106.5135.9-82.4-14.8000112.5
805A36.5Very low31.6Very low182 Ų182141 Ų141100%1.50487%0.865SS**  trans164.50133.100000109.4

Retrieved 805 of 805 residues in 701.9 ms (Link to these results)

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