G4V9U4_SCHMA Loading...

BTB domain-containing protein

AlphaFold DB , UniProt , Accession G4V9U4, Species SCHMA (Schistosoma mansoni, Blood fluke), 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
1M45.3Very low78.9Confident242 Ų24265.5 Ų65.5100%1.19237%0.374SS*.  0121.50-68.9178.5-177.700106.5S3M1-S3 PolarHBondContact O-N 3.42Å
2A57.5Low79.3Confident72 Ų7273.9 Ų73.960%0.59542%0.418SS*.  trans-62.8132.7177.800000109S4A2-S4 PolarHBondContact O-N 3.1Å
3S65.6Low80Confident54 Ų5476.2 Ų76.238%0.37842%0.423SS..  trans-56.5135.2178.4175.50000109.9M1 L5 S43M1-S3 PolarHBondContact O-N 3.42Å; S3-L5 VanDerWaalsContact CB-O 3.3Å; S3-L5 WeakPolarHBondContact CB-O 3.43Å; S3-L5 PolarHBondContact O-N 3.38Å; S3-L5 PolarHBondContact OG-N 3.4Å; S3-L5 PolarHBondContact OG-O 3.3Å; S3-S43 WeakPolarHBondContact CB-OG 3.23Å
4S81.5Confident80.6Confident89 Ų8976.5 Ų76.562%0.62243%0.433SS*.SBendtrans-67.4-20173.457.70000112.1A2 P18 R19A2-S4 PolarHBondContact O-N 3.1Å; S4-P18 CarbonylContact O-C 3.59Å; S4-P18 WeakPolarHBondContact O-CA 3.39Å; S4-R19 PolarHBondContact O-N 3.11Å
5L86.1Confident81.2Confident70 Ų7073.6 Ų73.637%0.36641%0.413SS..EExtended strand (participates in β ladder)trans-109.6137.6175.8-65.3171.3000110.6S3 L16 P18S3-L5 VanDerWaalsContact CB-O 3.3Å; S3-L5 WeakPolarHBondContact CB-O 3.43Å; S3-L5 PolarHBondContact O-N 3.38Å; S3-L5 PolarHBondContact OG-N 3.4Å; S3-L5 PolarHBondContact OG-O 3.3Å; L5-L16 HydrophobicContact CB-CD2 4.43Å; L5-P18 HydrophobicContact CD2-CB 4.42Å; L5-P18 HydrophobicContact CD2-CG 4.03Å
6I88.4Confident81.7Confident0 Ų075.3 Ų75.30%042%0.42CS..EExtended strand (participates in β ladder)trans-110.8134.5174.9-57.5-65.5000108L8 L16 V17 R19 L22 F33 S43 F45I6-L8 HydrophobicContact CG2-CD2 3.85Å; I6-L16 WeakPolarHBondContact O-CA 3.3Å; I6-V17 PolarHBondContact N-O 3.41Å; I6-V17 PolarHBondContact O-N 3.17Å; I6-R19 HydrophobicContact CD1-CB 4.4Å; I6-R19 HydrophobicContact CD1-CG 4.28Å; I6-R19 HydrophobicContact CG1-CB 3.93Å; I6-R19 HydrophobicContact CG1-CG 4.12Å; I6-L22 HydrophobicContact CB-CD1 3.71Å; I6-L22 HydrophobicContact CG1-CD1 4Å; I6-L22 HydrophobicContact CG2-CD1 3.94Å; I6-F33 HydrophobicContact CD1-CE1 3.78Å; I6-F33 HydrophobicContact CD1-CZ 3.99Å; I6-F33 HydrophobicContact CG1-CE1 4.07Å; I6-F33 HydrophobicContact CG1-CZ 3.74Å; I6-S43 WeakPolarHBondContact CA-O 3.32Å; I6-F45 HydrophobicContact CG2-CD2 3.54Å; I6-F45 HydrophobicContact CG2-CE2 3.87Å
7T90Very high82Confident27 Ų2771.1 Ų71.117%0.16640%0.397CS..EExtended strand (participates in β ladder)trans-93.7119.4174.8-48.10000109.5I9 F15 L16 S43 Q44 F45T7-I9 HydrophobicContact CG2-CD1 4.38Å; T7-I9 HydrophobicContact CG2-CG1 3.97Å; T7-F15 CarbonylContact C-O 3.56Å; T7-F15 WeakPolarHBondContact CA-O 3.23Å; T7-L16 HydrophobicContact CG2-CD2 4.41Å; T7-L16 VanDerWaalsContact OG1-CD2 3.29Å; T7-L16 WeakPolarHBondContact OG1-CD2 3.38Å; T7-S43 PolarHBondContact N-O 3.09Å; T7-Q44 CarbonylContact O-C 3.58Å; T7-Q44 WeakPolarHBondContact O-CA 3.47Å; T7-F45 PolarHBondContact O-N 3.18Å
8L90.6Very high82.4Confident1 Ų170.3 Ų70.31%0.00540%0.396CS..EExtended strand (participates in β ladder)trans-99.2129.3171.9-47.5-178.1000108.5I6 S14 F15 V17 L22 F29 F45 F47 L55 V59I6-L8 HydrophobicContact CG2-CD2 3.85Å; L8-S14 CarbonylContact O-C 3.56Å; L8-S14 VanDerWaalsContact O-CA 3.32Å; L8-S14 WeakPolarHBondContact O-CA 3.5Å; L8-F15 PolarHBondContact N-O 3.42Å; L8-F15 PolarHBondContact O-N 2.73Å; L8-V17 HydrophobicContact CD1-CG2 3.97Å; L8-V17 HydrophobicContact CG-CG2 4.37Å; L8-L22 HydrophobicContact CD1-CD2 4.28Å; L8-L22 HydrophobicContact CD2-CD1 4.31Å; L8-F29 HydrophobicContact CD1-CZ 4.28Å; L8-F29 HydrophobicContact CD2-CE1 3.78Å; L8-F29 HydrophobicContact CD2-CZ 3.64Å; L8-F45 CarbonylContact C-O 3.56Å; L8-F45 WeakPolarHBondContact CA-O 3.23Å; L8-F45 HydrophobicContact CD2-CB 4.06Å; L8-F47 HydrophobicContact CB-CE2 4.39Å; L8-F47 HydrophobicContact CD2-CE2 4.12Å; L8-L55 HydrophobicContact CB-CD1 4.05Å; L8-L55 HydrophobicContact CB-CD2 3.79Å; L8-L55 HydrophobicContact CB-CG 4.27Å; L8-L55 HydrophobicContact CD1-CD1 4.03Å; L8-V59 HydrophobicContact CD1-CG2 4.25Å
9I89.6Confident82.6Confident42 Ų4268.9 Ų68.922%0.21538%0.384CS..EExtended strand (participates in β ladder)trans-122.3126.9-174.5-55.6172.4000108.9T7 Q13 F45 S46 F47T7-I9 HydrophobicContact CG2-CD1 4.38Å; T7-I9 HydrophobicContact CG2-CG1 3.97Å; I9-Q13 WeakPolarHBondContact CA-O 3.28Å; I9-F45 PolarHBondContact N-O 3.33Å; I9-S46 CarbonylContact O-C 3.56Å; I9-S46 WeakPolarHBondContact O-CA 3.27Å; I9-F47 PolarHBondContact O-N 3.17Å
10A88.5Confident82.8Confident1 Ų170.9 Ų70.91%0.00839%0.393CS..EExtended strand (participates in β ladder)trans-136.2138.5169.700000108.6N12 Q13 F50 L55A10-N12 PolarHBondContact O-N 3.29Å; A10-Q13 PolarHBondContact N-O 2.87Å; A10-Q13 VanDerWaalsContact N-O 3.09Å; A10-Q13 PolarHBondContact O-N 2.57Å; A10-F50 HydrophobicContact CB-CB 4.43Å; A10-L55 HydrophobicContact CB-CB 4.04Å; A10-L55 HydrophobicContact CB-CD2 3.57Å; A10-L55 HydrophobicContact CB-CG 4.45Å
11E85Confident83Confident122 Ų12269.2 Ų69.257%0.5739%0.385SS*.THydrogen-bonded Turntrans49-106.3-171.7-59.9171.2150.600111.2A52E11-A52 WeakPolarHBondContact OE2-CB 3.33Å; E11-A52 PolarHBondContact OE2-N 3.05Å
12N83.8Confident85.1Confident167 Ų16757.7 Ų57.789%0.89333%0.328SS*.THydrogen-bonded Turntrans-121.314.4179.8-63.8-36.8000113.1A10A10-N12 PolarHBondContact O-N 3.29Å
13Q88Confident86.5Confident104 Ų10456.1 Ų56.149%0.48631%0.311SS..EExtended strand (participates in β ladder)trans-115.1143.2-179.5-62.9-169.88.300111.3I9 A10 F15 A52I9-Q13 WeakPolarHBondContact CA-O 3.28Å; A10-Q13 PolarHBondContact N-O 2.87Å; A10-Q13 VanDerWaalsContact N-O 3.09Å; A10-Q13 PolarHBondContact O-N 2.57Å; Q13-F15 HydrophobicContact CB-CE2 3.96Å; Q13-F15 HydrophobicContact CB-CZ 4.08Å; Q13-A52 HydrophobicContact CB-CB 3.87Å; Q13-A52 HydrophobicContact CG-CB 3.81Å
14S87.9Confident87.5Confident80 Ų8061.9 Ų61.956%0.55933%0.329SS*.EExtended strand (participates in β ladder)trans-124.7135.9179.866.40000111.3L8L8-S14 CarbonylContact O-C 3.56Å; L8-S14 VanDerWaalsContact O-CA 3.32Å; L8-S14 WeakPolarHBondContact O-CA 3.5Å
15F89.9Confident87.8Confident33 Ų3359.4 Ų59.415%0.14531%0.312CS..EExtended strand (participates in β ladder)trans-123.4131.2-179.1-55.4-89000110.4T7 L8 Q13 L55 A56 V59T7-F15 CarbonylContact C-O 3.56Å; T7-F15 WeakPolarHBondContact CA-O 3.23Å; L8-F15 PolarHBondContact N-O 3.42Å; L8-F15 PolarHBondContact O-N 2.73Å; Q13-F15 HydrophobicContact CB-CE2 3.96Å; Q13-F15 HydrophobicContact CB-CZ 4.08Å; F15-L55 HydrophobicContact CD2-CB 4.36Å; F15-L55 HydrophobicContact CD2-CD2 3.63Å; F15-L55 HydrophobicContact CD2-CG 3.81Å; F15-L55 HydrophobicContact CE2-CB 4.12Å; F15-L55 HydrophobicContact CE2-CD2 3.96Å; F15-L55 HydrophobicContact CE2-CG 4.07Å; F15-A56 HydrophobicContact CE1-CB 3.71Å; F15-A56 HydrophobicContact CZ-CB 3.65Å; F15-V59 HydrophobicContact CB-CB 4.42Å; F15-V59 HydrophobicContact CB-CG1 4.24Å; F15-V59 HydrophobicContact CB-CG2 3.6Å; F15-V59 HydrophobicContact CD1-CG1 4.45Å; F15-V59 HydrophobicContact CD1-CG2 4.37Å; F15-V59 HydrophobicContact CG-CG2 3.94Å
16L88.9Confident88.1Confident100 Ų10056.2 Ų56.252%0.52430%0.296SS..EExtended strand (participates in β ladder)trans-92.4126.7175.3-68.7170.4000110.4L5 I6 T7L5-L16 HydrophobicContact CB-CD2 4.43Å; I6-L16 WeakPolarHBondContact O-CA 3.3Å; T7-L16 HydrophobicContact CG2-CD2 4.41Å; T7-L16 VanDerWaalsContact OG1-CD2 3.29Å; T7-L16 WeakPolarHBondContact OG1-CD2 3.38Å
17V87.9Confident88.2Confident4 Ų460.8 Ų60.82%0.02432%0.319CS..EExtended strand (participates in β ladder)trans-132.4135.6178.1-170.30000110.2I6 L8 R19 V21 L22 V59 L62I6-V17 PolarHBondContact N-O 3.41Å; I6-V17 PolarHBondContact O-N 3.17Å; L8-V17 HydrophobicContact CD1-CG2 3.97Å; L8-V17 HydrophobicContact CG-CG2 4.37Å; V17-R19 PolarHBondContact O-N 3.3Å; V17-V21 HydrophobicContact CG1-CB 4.46Å; V17-V21 HydrophobicContact CG1-CG1 4.32Å; V17-L22 HydrophobicContact CB-CD1 4.14Å; V17-L22 HydrophobicContact CB-CD2 4.29Å; V17-L22 HydrophobicContact CB-CG 4.14Å; V17-L22 HydrophobicContact CG1-CD1 4.3Å; V17-L22 HydrophobicContact CG1-CD2 3.88Å; V17-L22 HydrophobicContact CG1-CG 3.75Å; V17-V59 HydrophobicContact CG2-CB 4.46Å; V17-V59 HydrophobicContact CG2-CG1 4.07Å; V17-V59 HydrophobicContact CG2-CG2 3.82Å; V17-L62 HydrophobicContact CG1-CB 4.37Å; V17-L62 HydrophobicContact CG1-CD1 4Å
18P88.2Confident88.3Confident57 Ų5762 Ų6237%0.3732%0.321SS..EExtended strand (participates in β ladder)trans-58.3133.6173.5-23.233.5000112.6S4 L5 D20 V21 L22S4-P18 CarbonylContact O-C 3.59Å; S4-P18 WeakPolarHBondContact O-CA 3.39Å; L5-P18 HydrophobicContact CD2-CB 4.42Å; L5-P18 HydrophobicContact CD2-CG 4.03Å; P18-D20 PolarHBondContact O-N 3.38Å; P18-V21 HydrophobicContact CB-CB 4.25Å; P18-V21 HydrophobicContact CB-CG2 3.93Å; P18-V21 HydrophobicContact CG-CG2 4.19Å; P18-V21 WeakPolarHBondContact O-CB 3.43Å; P18-V21 PolarHBondContact O-N 2.9Å; P18-L22 PolarHBondContact O-N 3.15Å
19R86.8Confident88.3Confident45 Ų4561.9 Ų61.917%0.1732%0.321CS..Hα-helixtrans-56.3-39.3178.5-170.5178.4-177.7122.4-3.9111.8S4 I6 V17 V21 L22 T23 F33 S40S4-R19 PolarHBondContact O-N 3.11Å; I6-R19 HydrophobicContact CD1-CB 4.4Å; I6-R19 HydrophobicContact CD1-CG 4.28Å; I6-R19 HydrophobicContact CG1-CB 3.93Å; I6-R19 HydrophobicContact CG1-CG 4.12Å; V17-R19 PolarHBondContact O-N 3.3Å; R19-V21 VanDerWaalsContact C-N 3.26Å; R19-V21 PolarHBondContact O-N 3.4Å; R19-L22 PolarHBondContact O-N 3.41Å; R19-T23 WeakPolarHBondContact O-CG2 3.44Å; R19-T23 PolarHBondContact O-N 3.48Å; R19-T23 PolarHBondContact O-OG1 3.39Å; R19-F33 HydrophobicContact CG-CD2 4.14Å; R19-F33 HydrophobicContact CG-CE1 4.34Å; R19-F33 HydrophobicContact CG-CE2 3.82Å; R19-F33 HydrophobicContact CG-CZ 3.97Å; R19-F33 VanDerWaalsContact CZ-CD1 3.4Å; R19-F33 VanDerWaalsContact NH2-CD1 3.33Å; R19-S40 PolarHBondContact NH1-O 2.8Å
20D86.9Confident88.3Confident107 Ų10765.6 Ų65.657%0.57233%0.333SS*.Hα-helixtrans-66.7-27.7179.3-61-20000112.9P18 T23 K24P18-D20 PolarHBondContact O-N 3.38Å; D20-T23 VanDerWaalsContact C-OG1 3.28Å; D20-T23 VanDerWaalsContact CA-OG1 3.25Å; D20-T23 WeakPolarHBondContact CA-OG1 3.46Å; D20-T23 PolarHBondContact O-OG1 3.34Å; D20-K24 WeakPolarHBondContact O-CB 3.29Å; D20-K24 WeakPolarHBondContact O-CD 3.38Å; D20-K24 WeakPolarHBondContact O-CG 3.5Å; D20-K24 PolarHBondContact O-N 3.44Å
21V87.4Confident88.3Confident36 Ų3668 Ų6822%0.21835%0.353CS..Hα-helixtrans-78-41.8177.4170.10000110.2V17 P18 R19 K24 S25 L62V17-V21 HydrophobicContact CG1-CB 4.46Å; V17-V21 HydrophobicContact CG1-CG1 4.32Å; P18-V21 HydrophobicContact CB-CB 4.25Å; P18-V21 HydrophobicContact CB-CG2 3.93Å; P18-V21 HydrophobicContact CG-CG2 4.19Å; P18-V21 WeakPolarHBondContact O-CB 3.43Å; P18-V21 PolarHBondContact O-N 2.9Å; R19-V21 VanDerWaalsContact C-N 3.26Å; R19-V21 PolarHBondContact O-N 3.4Å; V21-K24 PolarHBondContact O-N 2.94Å; V21-S25 VanDerWaalsContact O-CB 3.27Å; V21-S25 WeakPolarHBondContact O-CB 3.34Å; V21-S25 PolarHBondContact O-N 3.21Å; V21-S25 VanDerWaalsContact O-N 3.17Å; V21-S25 PolarHBondContact O-OG 2.84Å; V21-L62 HydrophobicContact CG1-CB 3.83Å; V21-L62 HydrophobicContact CG1-CD2 3.91Å; V21-L62 HydrophobicContact CG1-CG 4.38Å; V21-L62 VanDerWaalsContact CG1-O 3.3Å; V21-L62 WeakPolarHBondContact CG1-O 3.38Å
22L88.3Confident88.5Confident1 Ų162.3 Ų62.31%0.00533%0.327CS..Hα-helixtrans-63.9-49.5176.9-69.4172.3000111.6I6 L8 V17 P18 R19 K24 S25 S26 F29 F33 L62I6-L22 HydrophobicContact CB-CD1 3.71Å; I6-L22 HydrophobicContact CG1-CD1 4Å; I6-L22 HydrophobicContact CG2-CD1 3.94Å; L8-L22 HydrophobicContact CD1-CD2 4.28Å; L8-L22 HydrophobicContact CD2-CD1 4.31Å; V17-L22 HydrophobicContact CB-CD1 4.14Å; V17-L22 HydrophobicContact CB-CD2 4.29Å; V17-L22 HydrophobicContact CB-CG 4.14Å; V17-L22 HydrophobicContact CG1-CD1 4.3Å; V17-L22 HydrophobicContact CG1-CD2 3.88Å; V17-L22 HydrophobicContact CG1-CG 3.75Å; P18-L22 PolarHBondContact O-N 3.15Å; R19-L22 PolarHBondContact O-N 3.41Å; L22-K24 VanDerWaalsContact C-N 3.29Å; L22-K24 PolarHBondContact O-N 3.01Å; L22-S25 PolarHBondContact O-N 3.24Å; L22-S26 WeakPolarHBondContact O-CB 3.29Å; L22-S26 PolarHBondContact O-N 2.82Å; L22-F29 HydrophobicContact CB-CB 3.89Å; L22-F29 HydrophobicContact CB-CD2 4.12Å; L22-F29 HydrophobicContact CB-CG 3.97Å; L22-F29 HydrophobicContact CD1-CD1 4.3Å; L22-F29 HydrophobicContact CD1-CE1 4.45Å; L22-F29 HydrophobicContact CD1-CG 4.37Å; L22-F29 HydrophobicContact CD2-CD2 3.66Å; L22-F29 HydrophobicContact CD2-CE2 3.72Å; L22-F29 HydrophobicContact CD2-CG 4.22Å; L22-F29 HydrophobicContact CD2-CZ 4.3Å; L22-F29 HydrophobicContact CG-CD2 4.33Å; L22-F29 HydrophobicContact CG-CG 4.43Å; L22-F33 HydrophobicContact CB-CE2 4.04Å; L22-F33 HydrophobicContact CB-CZ 4.48Å; L22-F33 HydrophobicContact CD1-CZ 4.22Å; L22-L62 HydrophobicContact CD2-CD1 3.54Å
23T86.8Confident88.8Confident39 Ų3955.3 Ų55.324%0.23929%0.289CS..Hα-helixtrans-55.8-41.3176.841.70000112.9R19 D20 F33R19-T23 WeakPolarHBondContact O-CG2 3.44Å; R19-T23 PolarHBondContact O-N 3.48Å; R19-T23 PolarHBondContact O-OG1 3.39Å; D20-T23 VanDerWaalsContact C-OG1 3.28Å; D20-T23 VanDerWaalsContact CA-OG1 3.25Å; D20-T23 WeakPolarHBondContact CA-OG1 3.46Å; D20-T23 PolarHBondContact O-OG1 3.34Å; T23-F33 HydrophobicContact CG2-CD2 3.36Å; T23-F33 HydrophobicContact CG2-CE2 3.9Å; T23-F33 HydrophobicContact CG2-CG 4.39Å
24K87.8Confident88.7Confident174 Ų17456.9 Ų56.976%0.75730%0.296SS*.Hα-helixtrans-75.2-23.7-178.9-73.4175.4-174.1175.60114D20 V21 L22D20-K24 WeakPolarHBondContact O-CB 3.29Å; D20-K24 WeakPolarHBondContact O-CD 3.38Å; D20-K24 WeakPolarHBondContact O-CG 3.5Å; D20-K24 PolarHBondContact O-N 3.44Å; V21-K24 PolarHBondContact O-N 2.94Å; L22-K24 VanDerWaalsContact C-N 3.29Å; L22-K24 PolarHBondContact O-N 3.01Å
25S87.4Confident88.6Confident37 Ų3757 Ų5726%0.25930%0.297SS..Hα-helixtrans-109.1-21-168.7-510000113.8V21 L22 L62 M105V21-S25 VanDerWaalsContact O-CB 3.27Å; V21-S25 WeakPolarHBondContact O-CB 3.34Å; V21-S25 PolarHBondContact O-N 3.21Å; V21-S25 VanDerWaalsContact O-N 3.17Å; V21-S25 PolarHBondContact O-OG 2.84Å; L22-S25 PolarHBondContact O-N 3.24Å; S25-L62 VanDerWaalsContact CB-CD2 3.42Å; S25-M105 WeakPolarHBondContact O-CG 3.48Å
26S91.5Very high88.1Confident3 Ų356.9 Ų56.92%0.02131%0.305CS..  trans-133.4124.4-173.5164.40000111L22 Y28 F29 Y30 F103L22-S26 WeakPolarHBondContact O-CB 3.29Å; L22-S26 PolarHBondContact O-N 2.82Å; S26-Y28 VanDerWaalsContact C-N 3.32Å; S26-Y28 PolarHBondContact OG-N 3.36Å; S26-F29 PolarHBondContact O-N 2.8Å; S26-F29 VanDerWaalsContact OG-CD2 3.23Å; S26-F29 WeakPolarHBondContact OG-CD2 2.87Å; S26-F29 PolarHBondContact OG-N 3.41Å; S26-F29 VanDerWaalsContact OG-N 3.1Å; S26-Y30 WeakPolarHBondContact O-CB 3.14Å; S26-Y30 PolarHBondContact O-N 3.33Å; S26-F103 WeakPolarHBondContact CB-O 3.26Å; S26-F103 PolarHBondContact OG-O 3.39Å
27L90.4Very high87.6Confident96 Ų9655.6 Ų55.650%0.50330%0.297SS..Hα-helixtrans-68.7-33.8173.9-63.5172.9000111.5Y30 A31 Q104L27-Y30 PolarHBondContact O-N 2.69Å; L27-A31 WeakPolarHBondContact O-CB 3.28Å; L27-A31 PolarHBondContact O-N 2.92Å; L27-Q104 HydrophobicContact CB-CB 3.83Å; L27-Q104 HydrophobicContact CD1-CB 4.46Å; L27-Q104 PolarHBondContact N-O 3.31Å
28Y91.8Very high87.2Confident52 Ų5260.2 Ų60.220%0.20433%0.325CS..Hα-helixtrans-55.6-53.1173.8173.5-90000111.1S26 A31 A32 F45 F47 Y102 F103S26-Y28 VanDerWaalsContact C-N 3.32Å; S26-Y28 PolarHBondContact OG-N 3.36Å; Y28-A31 PolarHBondContact O-N 3.3Å; Y28-A32 VanDerWaalsContact O-CB 3.28Å; Y28-A32 WeakPolarHBondContact O-CB 3.45Å; Y28-A32 PolarHBondContact O-N 3.45Å; Y28-F45 HydrophobicContact CE1-CD1 4.23Å; Y28-F45 HydrophobicContact CE1-CE1 4.29Å; Y28-F47 HydrophobicContact CE1-CE1 4.16Å; Y28-F47 HydrophobicContact CE1-CZ 4.13Å; Y28-Y102 HydrophobicContact CE2-CE1 4.47Å; Y28-F103 VanDerWaalsContact CB-O 3.32Å; Y28-F103 WeakPolarHBondContact CB-O 3.37Å; Y28-F103 HydrophobicContact CD1-CD1 4.15Å
29F91.7Very high86.8Confident0 Ų060.6 Ų60.60%032%0.322CS..Hα-helixtrans-69.2-39.7-179-74.4-65.8000111.8L8 L22 S26 A31 A32 F33 F45 F47 F103L8-F29 HydrophobicContact CD1-CZ 4.28Å; L8-F29 HydrophobicContact CD2-CE1 3.78Å; L8-F29 HydrophobicContact CD2-CZ 3.64Å; L22-F29 HydrophobicContact CB-CB 3.89Å; L22-F29 HydrophobicContact CB-CD2 4.12Å; L22-F29 HydrophobicContact CB-CG 3.97Å; L22-F29 HydrophobicContact CD1-CD1 4.3Å; L22-F29 HydrophobicContact CD1-CE1 4.45Å; L22-F29 HydrophobicContact CD1-CG 4.37Å; L22-F29 HydrophobicContact CD2-CD2 3.66Å; L22-F29 HydrophobicContact CD2-CE2 3.72Å; L22-F29 HydrophobicContact CD2-CG 4.22Å; L22-F29 HydrophobicContact CD2-CZ 4.3Å; L22-F29 HydrophobicContact CG-CD2 4.33Å; L22-F29 HydrophobicContact CG-CG 4.43Å; S26-F29 PolarHBondContact O-N 2.8Å; S26-F29 VanDerWaalsContact OG-CD2 3.23Å; S26-F29 WeakPolarHBondContact OG-CD2 2.87Å; S26-F29 PolarHBondContact OG-N 3.41Å; S26-F29 VanDerWaalsContact OG-N 3.1Å; F29-A31 PolarHBondContact O-N 2.86Å; F29-A32 PolarHBondContact O-N 3.4Å; F29-F33 HydrophobicContact CB-CD2 4.23Å; F29-F33 HydrophobicContact CB-CE2 3.69Å; F29-F33 HydrophobicContact CB-CZ 4.22Å; F29-F33 HydrophobicContact CD1-CE2 4.37Å; F29-F33 HydrophobicContact CD1-CZ 4.03Å; F29-F33 HydrophobicContact CG-CE2 4.41Å; F29-F33 HydrophobicContact CG-CZ 4.49Å; F29-F33 WeakPolarHBondContact O-CB 3.39Å; F29-F33 WeakPolarHBondContact O-CD2 3.4Å; F29-F33 WeakPolarHBondContact O-CG 3.34Å; F29-F33 PolarHBondContact O-N 2.88Å; F29-F45 HydrophobicContact CD1-CD1 4.47Å; F29-F45 HydrophobicContact CD1-CE1 4.29Å; F29-F45 HydrophobicContact CD1-CZ 4.31Å; F29-F45 HydrophobicContact CE1-CB 4.42Å; F29-F45 AromaticContact CE1-CD1 3.93Å; F29-F45 HydrophobicContact CE1-CD1 3.93Å; F29-F45 HydrophobicContact CE1-CD2 4.17Å; F29-F45 HydrophobicContact CE1-CE1 4.2Å; F29-F45 HydrophobicContact CE1-CE2 4.46Å; F29-F45 AromaticContact CE1-CG 3.91Å; F29-F45 HydrophobicContact CE1-CG 3.91Å; F29-F45 HydrophobicContact CE1-CZ 4.46Å; F29-F47 HydrophobicContact CE1-CZ 4.09Å; F29-F47 HydrophobicContact CZ-CE2 4.07Å; F29-F47 AromaticContact CZ-CZ 3.79Å; F29-F47 HydrophobicContact CZ-CZ 3.79Å; F29-F103 AromaticContact CE2-CD1 3.82Å; F29-F103 HydrophobicContact CE2-CD1 3.82Å; F29-F103 HydrophobicContact CE2-CE1 4.25Å; F29-F103 HydrophobicContact CE2-CG 4.25Å; F29-F103 HydrophobicContact CZ-CD1 4.13Å; F29-F103 HydrophobicContact CZ-CE1 4.15Å
30Y90.2Very high86.4Confident119 Ų11958.9 Ų58.947%0.46732%0.317SS..Hα-helixtrans-53.8-51.7172.6179.6-104.3000111.6S26 L27 F33 E34S26-Y30 WeakPolarHBondContact O-CB 3.14Å; S26-Y30 PolarHBondContact O-N 3.33Å; L27-Y30 PolarHBondContact O-N 2.69Å; Y30-F33 PolarHBondContact O-N 2.89Å; Y30-E34 HydrophobicContact CE1-CG 4.22Å; Y30-E34 HydrophobicContact CE2-CG 4.13Å; Y30-E34 WeakPolarHBondContact O-CG 3.4Å; Y30-E34 PolarHBondContact O-N 3.05Å
31A88.8Confident85.9Confident53 Ų5361.7 Ų61.744%0.43832%0.324SS..Hα-helixtrans-65-40.717800000112.9L27 Y28 F29 F33 E34 S35L27-A31 WeakPolarHBondContact O-CB 3.28Å; L27-A31 PolarHBondContact O-N 2.92Å; Y28-A31 PolarHBondContact O-N 3.3Å; F29-A31 PolarHBondContact O-N 2.86Å; A31-F33 VanDerWaalsContact C-N 3.29Å; A31-F33 PolarHBondContact O-N 2.8Å; A31-E34 PolarHBondContact O-N 2.98Å; A31-S35 VanDerWaalsContact O-CB 3.28Å; A31-S35 WeakPolarHBondContact O-CB 3.46Å; A31-S35 PolarHBondContact O-N 2.82Å; A31-S35 PolarHBondContact O-OG 2.91Å
32A88.7Confident85.8Confident2 Ų264.2 Ų64.22%0.01734%0.34CS..Hα-helixtrans-63.2-35.9177.700000112.2Y28 F29 S35 G36 M37 S40 F45Y28-A32 VanDerWaalsContact O-CB 3.28Å; Y28-A32 WeakPolarHBondContact O-CB 3.45Å; Y28-A32 PolarHBondContact O-N 3.45Å; F29-A32 PolarHBondContact O-N 3.4Å; A32-S35 PolarHBondContact O-OG 3.01Å; A32-G36 PolarHBondContact O-N 2.91Å; A32-M37 HydrophobicContact CB-SD 3.78Å; A32-M37 PolarHBondContact O-N 3.37Å; A32-S40 WeakPolarHBondContact O-CB 3.44Å; A32-F45 HydrophobicContact CB-CE1 3.91Å; A32-F45 HydrophobicContact CB-CZ 4.09Å
33F88.9Confident85.5Confident20 Ų2064.8 Ų64.89%0.08834%0.344CS..Hα-helixtrans-76.3-38.2177.2-64-39.5000113.1I6 R19 L22 T23 F29 Y30 A31 F45I6-F33 HydrophobicContact CD1-CE1 3.78Å; I6-F33 HydrophobicContact CD1-CZ 3.99Å; I6-F33 HydrophobicContact CG1-CE1 4.07Å; I6-F33 HydrophobicContact CG1-CZ 3.74Å; R19-F33 HydrophobicContact CG-CD2 4.14Å; R19-F33 HydrophobicContact CG-CE1 4.34Å; R19-F33 HydrophobicContact CG-CE2 3.82Å; R19-F33 HydrophobicContact CG-CZ 3.97Å; R19-F33 VanDerWaalsContact CZ-CD1 3.4Å; R19-F33 VanDerWaalsContact NH2-CD1 3.33Å; L22-F33 HydrophobicContact CB-CE2 4.04Å; L22-F33 HydrophobicContact CB-CZ 4.48Å; L22-F33 HydrophobicContact CD1-CZ 4.22Å; T23-F33 HydrophobicContact CG2-CD2 3.36Å; T23-F33 HydrophobicContact CG2-CE2 3.9Å; T23-F33 HydrophobicContact CG2-CG 4.39Å; F29-F33 HydrophobicContact CB-CD2 4.23Å; F29-F33 HydrophobicContact CB-CE2 3.69Å; F29-F33 HydrophobicContact CB-CZ 4.22Å; F29-F33 HydrophobicContact CD1-CE2 4.37Å; F29-F33 HydrophobicContact CD1-CZ 4.03Å; F29-F33 HydrophobicContact CG-CE2 4.41Å; F29-F33 HydrophobicContact CG-CZ 4.49Å; F29-F33 WeakPolarHBondContact O-CB 3.39Å; F29-F33 WeakPolarHBondContact O-CD2 3.4Å; F29-F33 WeakPolarHBondContact O-CG 3.34Å; F29-F33 PolarHBondContact O-N 2.88Å; Y30-F33 PolarHBondContact O-N 2.89Å; A31-F33 VanDerWaalsContact C-N 3.29Å; A31-F33 PolarHBondContact O-N 2.8Å; F33-F45 HydrophobicContact CD1-CZ 4.38Å; F33-F45 AromaticContact CE1-CE2 3.69Å; F33-F45 HydrophobicContact CE1-CE2 3.69Å; F33-F45 AromaticContact CE1-CZ 3.81Å; F33-F45 HydrophobicContact CE1-CZ 3.81Å; F33-F45 HydrophobicContact CZ-CE2 4.28Å; F33-F45 HydrophobicContact CZ-CZ 4.49Å
34E86.1Confident85.6Confident137 Ų13767.8 Ų67.864%0.6436%0.355SS*.Hα-helixtrans-69.8-39.7176.1-73.4-64.7143.400112.3Y30 A31 G36Y30-E34 HydrophobicContact CE1-CG 4.22Å; Y30-E34 HydrophobicContact CE2-CG 4.13Å; Y30-E34 WeakPolarHBondContact O-CG 3.4Å; Y30-E34 PolarHBondContact O-N 3.05Å; A31-E34 PolarHBondContact O-N 2.98Å; E34-G36 VanDerWaalsContact C-N 3.28Å; E34-G36 PolarHBondContact O-N 2.84Å
35S85.9Confident85.7Confident82 Ų8259.6 Ų59.657%0.57332%0.32SS*.Hα-helixtrans-74.2-14.8179.4580000114.2A31 A32 M37A31-S35 VanDerWaalsContact O-CB 3.28Å; A31-S35 WeakPolarHBondContact O-CB 3.46Å; A31-S35 PolarHBondContact O-N 2.82Å; A31-S35 PolarHBondContact O-OG 2.91Å; A32-S35 PolarHBondContact O-OG 3.01Å; S35-M37 WeakPolarHBondContact OG-CG 3.49Å
36G79.1Confident85.8Confident30 Ų3061.6 Ų61.631%0.30933%0.333SS..THydrogen-bonded Turntrans70.131.518000000114.2A32 E34 S40A32-G36 PolarHBondContact O-N 2.91Å; E34-G36 VanDerWaalsContact C-N 3.28Å; E34-G36 PolarHBondContact O-N 2.84Å; G36-S40 WeakPolarHBondContact CA-OG 3.39Å
37M79Confident85.7Confident73 Ų7361.8 Ų61.836%0.3633%0.334SS..  trans-46.6151.1173.7-74-177.271.900111.7A32 S35 E39 S40 K41A32-M37 HydrophobicContact CB-SD 3.78Å; A32-M37 PolarHBondContact O-N 3.37Å; S35-M37 WeakPolarHBondContact OG-CG 3.49Å; M37-E39 PolarHBondContact O-N 3.4Å; M37-E39 VanDerWaalsContact O-N 3.15Å; M37-S40 PolarHBondContact N-OG 3.03Å; M37-S40 WeakPolarHBondContact O-CA 3.32Å; M37-S40 VanDerWaalsContact O-CB 3.23Å; M37-S40 WeakPolarHBondContact O-CB 3.49Å; M37-S40 PolarHBondContact O-N 3.27Å; M37-S40 PolarHBondContact O-OG 3.34Å; M37-K41 PolarHBondContact O-N 3.42Å
38T79.8Confident85.4Confident101 Ų10162.6 Ų62.662%0.6235%0.345SS*.Hα-helixtrans-50.8-42.1-179.129.50000113.1S40 K41 T42T38-S40 VanDerWaalsContact C-N 3.29Å; T38-S40 PolarHBondContact O-N 3.19Å; T38-K41 WeakPolarHBondContact O-CB 3.25Å; T38-K41 PolarHBondContact O-N 3.22Å; T38-K41 VanDerWaalsContact O-N 3.11Å; T38-T42 PolarHBondContact O-N 3.22Å; T38-T42 VanDerWaalsContact O-N 3.1Å
39E80.4Confident85.1Confident66 Ų6666.8 Ų66.831%0.30837%0.371SS..Hα-helixtrans-63.9-32.8177.8-64.486.8164.400112.1M37 K41 T42 S43 Q44 F45M37-E39 PolarHBondContact O-N 3.4Å; M37-E39 VanDerWaalsContact O-N 3.15Å; E39-K41 VanDerWaalsContact C-N 3.25Å; E39-K41 PolarHBondContact O-N 3.34Å; E39-T42 WeakPolarHBondContact CA-OG1 3.18Å; E39-T42 PolarHBondContact O-OG1 3.1Å; E39-S43 WeakPolarHBondContact O-CA 3.44Å; E39-S43 PolarHBondContact O-N 3.5Å; E39-Q44 WeakPolarHBondContact CA-O 3.43Å; E39-Q44 VanDerWaalsContact CB-O 3.29Å; E39-Q44 WeakPolarHBondContact CB-O 3.34Å; E39-Q44 PolarHBondContact O-N 2.94Å; E39-F45 HydrophobicContact CB-CD1 3.74Å; E39-F45 HydrophobicContact CB-CD2 4.16Å; E39-F45 HydrophobicContact CB-CE1 3.64Å; E39-F45 HydrophobicContact CB-CE2 4.05Å; E39-F45 HydrophobicContact CB-CG 4.01Å; E39-F45 HydrophobicContact CB-CZ 3.8Å; E39-F45 HydrophobicContact CG-CD1 4.33Å
40S76.8Confident84.8Confident8 Ų867.6 Ų67.66%0.05637%0.374CS..Hα-helixtrans-68-26.4175.780.80000113R19 A32 G36 M37 T38R19-S40 PolarHBondContact NH1-O 2.8Å; A32-S40 WeakPolarHBondContact O-CB 3.44Å; G36-S40 WeakPolarHBondContact CA-OG 3.39Å; M37-S40 PolarHBondContact N-OG 3.03Å; M37-S40 WeakPolarHBondContact O-CA 3.32Å; M37-S40 VanDerWaalsContact O-CB 3.23Å; M37-S40 WeakPolarHBondContact O-CB 3.49Å; M37-S40 PolarHBondContact O-N 3.27Å; M37-S40 PolarHBondContact O-OG 3.34Å; T38-S40 VanDerWaalsContact C-N 3.29Å; T38-S40 PolarHBondContact O-N 3.19Å
41K77.7Confident84.6Confident166 Ų16664.5 Ų64.572%0.72237%0.368SS*.Hα-helixtrans-86.2-39.1178-62.7-179.4-177.2174.20111.7M37 T38 E39 S43M37-K41 PolarHBondContact O-N 3.42Å; T38-K41 WeakPolarHBondContact O-CB 3.25Å; T38-K41 PolarHBondContact O-N 3.22Å; T38-K41 VanDerWaalsContact O-N 3.11Å; E39-K41 VanDerWaalsContact C-N 3.25Å; E39-K41 PolarHBondContact O-N 3.34Å; K41-S43 VanDerWaalsContact C-N 3.26Å
42T83.6Confident84.4Confident90 Ų9062.1 Ų62.155%0.55235%0.348SS*.Hα-helixtrans-76.5-15.7175.959.20000112.7T38 E39 Q44T38-T42 PolarHBondContact O-N 3.22Å; T38-T42 VanDerWaalsContact O-N 3.1Å; E39-T42 WeakPolarHBondContact CA-OG1 3.18Å; E39-T42 PolarHBondContact O-OG1 3.1Å; T42-Q44 PolarHBondContact O-N 3.39Å; T42-Q44 PolarHBondContact OG1-N 2.96Å; T42-Q44 PolarHBondContact OG1-O 2.93Å
43S83.6Confident84.2Confident12 Ų1266.9 Ų66.98%0.08437%0.37CS..THydrogen-bonded Turntrans60.923-172.2-65.30000113.3S3 I6 T7 E39 K41S3-S43 WeakPolarHBondContact CB-OG 3.23Å; I6-S43 WeakPolarHBondContact CA-O 3.32Å; T7-S43 PolarHBondContact N-O 3.09Å; E39-S43 WeakPolarHBondContact O-CA 3.44Å; E39-S43 PolarHBondContact O-N 3.5Å; K41-S43 VanDerWaalsContact C-N 3.26Å
44Q87.6Confident84.1Confident103 Ų10366.8 Ų66.848%0.48137%0.37SS..EExtended strand (participates in β ladder)trans-128.8126178.8-62.5-173.5-500110.4T7 E39 T42T7-Q44 CarbonylContact O-C 3.58Å; T7-Q44 WeakPolarHBondContact O-CA 3.47Å; E39-Q44 WeakPolarHBondContact CA-O 3.43Å; E39-Q44 VanDerWaalsContact CB-O 3.29Å; E39-Q44 WeakPolarHBondContact CB-O 3.34Å; E39-Q44 PolarHBondContact O-N 2.94Å; T42-Q44 PolarHBondContact O-N 3.39Å; T42-Q44 PolarHBondContact OG1-N 2.96Å; T42-Q44 PolarHBondContact OG1-O 2.93Å
45F90Very high84.2Confident2 Ų260.3 Ų60.31%0.00934%0.339CS..EExtended strand (participates in β ladder)trans-118.7124.2175.1-72-103.9000109.3I6 T7 L8 I9 Y28 F29 A32 F33 E39 F47I6-F45 HydrophobicContact CG2-CD2 3.54Å; I6-F45 HydrophobicContact CG2-CE2 3.87Å; T7-F45 PolarHBondContact O-N 3.18Å; L8-F45 CarbonylContact C-O 3.56Å; L8-F45 WeakPolarHBondContact CA-O 3.23Å; L8-F45 HydrophobicContact CD2-CB 4.06Å; I9-F45 PolarHBondContact N-O 3.33Å; Y28-F45 HydrophobicContact CE1-CD1 4.23Å; Y28-F45 HydrophobicContact CE1-CE1 4.29Å; F29-F45 HydrophobicContact CD1-CD1 4.47Å; F29-F45 HydrophobicContact CD1-CE1 4.29Å; F29-F45 HydrophobicContact CD1-CZ 4.31Å; F29-F45 HydrophobicContact CE1-CB 4.42Å; F29-F45 AromaticContact CE1-CD1 3.93Å; F29-F45 HydrophobicContact CE1-CD1 3.93Å; F29-F45 HydrophobicContact CE1-CD2 4.17Å; F29-F45 HydrophobicContact CE1-CE1 4.2Å; F29-F45 HydrophobicContact CE1-CE2 4.46Å; F29-F45 AromaticContact CE1-CG 3.91Å; F29-F45 HydrophobicContact CE1-CG 3.91Å; F29-F45 HydrophobicContact CE1-CZ 4.46Å; A32-F45 HydrophobicContact CB-CE1 3.91Å; A32-F45 HydrophobicContact CB-CZ 4.09Å; F33-F45 HydrophobicContact CD1-CZ 4.38Å; F33-F45 AromaticContact CE1-CE2 3.69Å; F33-F45 HydrophobicContact CE1-CE2 3.69Å; F33-F45 AromaticContact CE1-CZ 3.81Å; F33-F45 HydrophobicContact CE1-CZ 3.81Å; F33-F45 HydrophobicContact CZ-CE2 4.28Å; F33-F45 HydrophobicContact CZ-CZ 4.49Å; E39-F45 HydrophobicContact CB-CD1 3.74Å; E39-F45 HydrophobicContact CB-CD2 4.16Å; E39-F45 HydrophobicContact CB-CE1 3.64Å; E39-F45 HydrophobicContact CB-CE2 4.05Å; E39-F45 HydrophobicContact CB-CG 4.01Å; E39-F45 HydrophobicContact CB-CZ 3.8Å; E39-F45 HydrophobicContact CG-CD1 4.33Å; F45-F47 HydrophobicContact CB-CE2 3.63Å; F45-F47 HydrophobicContact CB-CZ 3.6Å; F45-F47 HydrophobicContact CD1-CZ 4.18Å; F45-F47 HydrophobicContact CG-CZ 4.27Å
46S89.2Confident84.2Confident79 Ų7957.9 Ų57.955%0.55232%0.324SS*.EExtended strand (participates in β ladder)trans-108.3132.1178.9-620000110.9I9 P48I9-S46 CarbonylContact O-C 3.56Å; I9-S46 WeakPolarHBondContact O-CA 3.27Å; S46-P48 WeakPolarHBondContact O-CD 3.3Å
47F89.9Confident84.5Confident7 Ų756.9 Ų56.93%0.03131%0.312CS..  trans-124.881-172.8-64.7-62.3000110.5L8 I9 Y28 F29 F45 N49 F50 L55 Y102 F103L8-F47 HydrophobicContact CB-CE2 4.39Å; L8-F47 HydrophobicContact CD2-CE2 4.12Å; I9-F47 PolarHBondContact O-N 3.17Å; Y28-F47 HydrophobicContact CE1-CE1 4.16Å; Y28-F47 HydrophobicContact CE1-CZ 4.13Å; F29-F47 HydrophobicContact CE1-CZ 4.09Å; F29-F47 HydrophobicContact CZ-CE2 4.07Å; F29-F47 AromaticContact CZ-CZ 3.79Å; F29-F47 HydrophobicContact CZ-CZ 3.79Å; F45-F47 HydrophobicContact CB-CE2 3.63Å; F45-F47 HydrophobicContact CB-CZ 3.6Å; F45-F47 HydrophobicContact CD1-CZ 4.18Å; F45-F47 HydrophobicContact CG-CZ 4.27Å; F47-N49 PolarHBondContact O-N 3.48Å; F47-F50 HydrophobicContact CB-CB 4.21Å; F47-F50 HydrophobicContact CB-CD2 3.84Å; F47-F50 HydrophobicContact CB-CG 4.42Å; F47-F50 HydrophobicContact CG-CD2 4.43Å; F47-F50 PolarHBondContact O-N 2.78Å; F47-L55 HydrophobicContact CD2-CD1 4.3Å; F47-Y102 AromaticContact CD1-CE1 3.99Å; F47-Y102 HydrophobicContact CD1-CE1 3.99Å; F47-Y102 AromaticContact CE1-CE1 3.95Å; F47-Y102 HydrophobicContact CE1-CE1 3.95Å; F47-F103 AromaticContact CD1-CE1 3.95Å; F47-F103 HydrophobicContact CD1-CE1 3.95Å; F47-F103 HydrophobicContact CD1-CZ 4.24Å; F47-F103 HydrophobicContact CD2-CE1 4.22Å; F47-F103 HydrophobicContact CD2-CZ 4.02Å; F47-F103 AromaticContact CE1-CE1 3.52Å; F47-F103 HydrophobicContact CE1-CE1 3.52Å; F47-F103 HydrophobicContact CE1-CZ 4.21Å; F47-F103 AromaticContact CE2-CE1 3.79Å; F47-F103 HydrophobicContact CE2-CE1 3.79Å; F47-F103 AromaticContact CE2-CZ 3.96Å; F47-F103 HydrophobicContact CE2-CZ 3.96Å; F47-F103 HydrophobicContact CG-CE1 4.29Å; F47-F103 HydrophobicContact CG-CZ 4.16Å; F47-F103 HydrophobicContact CZ-CD1 4.4Å; F47-F103 AromaticContact CZ-CE1 3.42Å; F47-F103 HydrophobicContact CZ-CE1 3.42Å; F47-F103 VanDerWaalsContact CZ-CE1 3.42Å; F47-F103 HydrophobicContact CZ-CZ 4.06Å
48P84.8Confident84.9Confident113 Ų11353.5 Ų53.573%0.73430%0.295SS*.THydrogen-bonded Turntrans-68.2-18.6-174.327.8-35.5000113.9S46 F50S46-P48 WeakPolarHBondContact O-CD 3.3Å; P48-F50 VanDerWaalsContact C-N 3.33Å
49N84.3Confident85.2Confident139 Ų13948.9 Ų48.974%0.74327%0.267SS*.THydrogen-bonded Turntrans-86.5-4.7179.5-62.5-21.4000113.3F47F47-N49 PolarHBondContact O-N 3.48Å
50F85.9Confident85.4Confident18 Ų1849.1 Ų49.18%0.07927%0.268CS..SBendtrans-109143.7-178.5-74.3-81.1000110.6A10 F47 P48 Q54 A99 Y102 F103A10-F50 HydrophobicContact CB-CB 4.43Å; F47-F50 HydrophobicContact CB-CB 4.21Å; F47-F50 HydrophobicContact CB-CD2 3.84Å; F47-F50 HydrophobicContact CB-CG 4.42Å; F47-F50 HydrophobicContact CG-CD2 4.43Å; F47-F50 PolarHBondContact O-N 2.78Å; P48-F50 VanDerWaalsContact C-N 3.33Å; F50-Q54 HydrophobicContact CD1-CB 4.14Å; F50-A99 HydrophobicContact CD1-CB 3.97Å; F50-A99 VanDerWaalsContact CE1-CA 3.4Å; F50-A99 HydrophobicContact CE1-CB 3.57Å; F50-A99 HydrophobicContact CZ-CB 4.46Å; F50-Y102 AromaticContact CE2-CD1 3.46Å; F50-Y102 HydrophobicContact CE2-CD1 3.46Å; F50-Y102 VanDerWaalsContact CE2-CD1 3.46Å; F50-Y102 HydrophobicContact CE2-CD2 4.02Å; F50-Y102 AromaticContact CE2-CE1 3.79Å; F50-Y102 HydrophobicContact CE2-CE1 3.79Å; F50-Y102 HydrophobicContact CE2-CE2 4.29Å; F50-Y102 AromaticContact CE2-CG 3.6Å; F50-Y102 HydrophobicContact CE2-CG 3.6Å; F50-Y102 AromaticContact CZ-CD1 3.7Å; F50-Y102 HydrophobicContact CZ-CD1 3.7Å; F50-Y102 HydrophobicContact CZ-CD2 4.1Å; F50-Y102 HydrophobicContact CZ-CE1 4.47Å; F50-Y102 AromaticContact CZ-CG 3.49Å; F50-Y102 HydrophobicContact CZ-CG 3.49Å; F50-Y102 VanDerWaalsContact CZ-CG 3.49Å; F50-F103 HydrophobicContact CE2-CZ 4.43Å
51T86.2Confident85.7Confident53 Ų5351.3 Ų51.333%0.32528%0.276SS..  trans-75.4155.3169.265.40000110.1H53 Q54 L55T51-H53 PolarHBondContact O-N 3.43Å; T51-Q54 PolarHBondContact O-N 3.34Å; T51-Q54 WeakPolarHBondContact OG1-CG 3.28Å; T51-Q54 PolarHBondContact OG1-N 3.03Å; T51-Q54 VanDerWaalsContact OG1-N 3.14Å; T51-Q54 PolarHBondContact OG1-OE1 2.84Å; T51-L55 PolarHBondContact O-N 2.91Å
52A85.6Confident85.9Confident4 Ų443.9 Ų43.93%0.03325%0.245CC..Hα-helixtrans-58-31.5172.500000112.2E11 Q13 A56E11-A52 WeakPolarHBondContact OE2-CB 3.33Å; E11-A52 PolarHBondContact OE2-N 3.05Å; Q13-A52 HydrophobicContact CB-CB 3.87Å; Q13-A52 HydrophobicContact CG-CB 3.81Å; A52-A56 VanDerWaalsContact O-CB 3.3Å; A52-A56 WeakPolarHBondContact O-CB 3.46Å; A52-A56 PolarHBondContact O-N 2.59Å
53H84.1Confident85.6Confident101 Ų10145.7 Ų45.747%0.46824%0.241SC..Hα-helixtrans-65.9-48.1177.1-17763.3000112.7T51 L55 A56 M57T51-H53 PolarHBondContact O-N 3.43Å; H53-L55 VanDerWaalsContact C-N 3.31Å; H53-L55 PolarHBondContact O-N 2.99Å; H53-A56 PolarHBondContact O-N 3.36Å; H53-M57 WeakPolarHBondContact O-CG 3.38Å; H53-M57 PolarHBondContact O-N 2.97Å
54Q85.7Confident84.3Confident19 Ų1949.8 Ų49.89%0.08927%0.268CS..Hα-helixtrans-56.9-46.1175.7-78.9167.4-26.700111.4F50 T51 M57 V58 D95 A99F50-Q54 HydrophobicContact CD1-CB 4.14Å; T51-Q54 PolarHBondContact O-N 3.34Å; T51-Q54 WeakPolarHBondContact OG1-CG 3.28Å; T51-Q54 PolarHBondContact OG1-N 3.03Å; T51-Q54 VanDerWaalsContact OG1-N 3.14Å; T51-Q54 PolarHBondContact OG1-OE1 2.84Å; Q54-M57 PolarHBondContact O-N 3.44Å; Q54-V58 WeakPolarHBondContact O-CG2 3.41Å; Q54-V58 PolarHBondContact O-N 3.22Å; Q54-D95 HydrophobicContact CG-CB 3.93Å; Q54-D95 PolarHBondContact NE2-OD1 3.46Å; Q54-A99 HydrophobicContact CB-CB 4.47Å
55L87.9Confident82.4Confident0 Ų053.4 Ų53.40%029%0.285CS..Hα-helixtrans-67.2-39.1179.8-16962.3000112L8 A10 F15 F47 T51 H53 M57 V58 V59 F103L8-L55 HydrophobicContact CB-CD1 4.05Å; L8-L55 HydrophobicContact CB-CD2 3.79Å; L8-L55 HydrophobicContact CB-CG 4.27Å; L8-L55 HydrophobicContact CD1-CD1 4.03Å; A10-L55 HydrophobicContact CB-CB 4.04Å; A10-L55 HydrophobicContact CB-CD2 3.57Å; A10-L55 HydrophobicContact CB-CG 4.45Å; F15-L55 HydrophobicContact CD2-CB 4.36Å; F15-L55 HydrophobicContact CD2-CD2 3.63Å; F15-L55 HydrophobicContact CD2-CG 3.81Å; F15-L55 HydrophobicContact CE2-CB 4.12Å; F15-L55 HydrophobicContact CE2-CD2 3.96Å; F15-L55 HydrophobicContact CE2-CG 4.07Å; F47-L55 HydrophobicContact CD2-CD1 4.3Å; T51-L55 PolarHBondContact O-N 2.91Å; H53-L55 VanDerWaalsContact C-N 3.31Å; H53-L55 PolarHBondContact O-N 2.99Å; L55-M57 VanDerWaalsContact C-N 3.33Å; L55-M57 PolarHBondContact O-N 3.39Å; L55-V58 PolarHBondContact O-N 3.21Å; L55-V59 VanDerWaalsContact O-CG2 3.23Å; L55-V59 WeakPolarHBondContact O-CG2 3.49Å; L55-V59 PolarHBondContact O-N 3.27Å; L55-F103 HydrophobicContact CD1-CE2 4.26Å; L55-F103 HydrophobicContact CD1-CZ 4.17Å
56A86.8Confident80.2Confident31 Ų3156.5 Ų56.526%0.25630%0.301SS..Hα-helixtrans-59.4-42.5175.600000112.2F15 A52 H53 V59 Q60F15-A56 HydrophobicContact CE1-CB 3.71Å; F15-A56 HydrophobicContact CZ-CB 3.65Å; A52-A56 VanDerWaalsContact O-CB 3.3Å; A52-A56 WeakPolarHBondContact O-CB 3.46Å; A52-A56 PolarHBondContact O-N 2.59Å; H53-A56 PolarHBondContact O-N 3.36Å; A56-V59 PolarHBondContact O-N 2.99Å; A56-Q60 WeakPolarHBondContact O-CB 2.98Å; A56-Q60 PolarHBondContact O-N 3.31Å
57M85.4Confident77.8Confident10 Ų1057 Ų575%0.04930%0.301CS..Hα-helixtrans-65-41.4177.5-69.6-169.1-6900112.4H53 Q54 L55 V59 Q60 F61 E92 D95 L96H53-M57 WeakPolarHBondContact O-CG 3.38Å; H53-M57 PolarHBondContact O-N 2.97Å; Q54-M57 PolarHBondContact O-N 3.44Å; L55-M57 VanDerWaalsContact C-N 3.33Å; L55-M57 PolarHBondContact O-N 3.39Å; M57-V59 VanDerWaalsContact C-N 3.33Å; M57-V59 PolarHBondContact O-N 3.47Å; M57-Q60 WeakPolarHBondContact O-CB 3.42Å; M57-Q60 PolarHBondContact O-N 3.19Å; M57-F61 PolarHBondContact O-N 3.44Å; M57-E92 HydrophobicContact CE-CG 4.37Å; M57-E92 HydrophobicContact SD-CG 3.53Å; M57-E92 VanDerWaalsContact SD-CG 3.53Å; M57-D95 HydrophobicContact CE-CB 4.26Å; M57-L96 HydrophobicContact CB-CD1 3.62Å; M57-L96 HydrophobicContact CB-CD2 4.29Å; M57-L96 HydrophobicContact CB-CG 4.42Å; M57-L96 HydrophobicContact CE-CB 3.98Å; M57-L96 HydrophobicContact SD-CB 4.34Å
58V87.2Confident75.1Confident1 Ų164 Ų641%0.00634%0.337CS..Hα-helixtrans-60.5-45.6174.1172.80000110.5Q54 L55 Q60 F61 L62 L96 A99 F103 M105 L108Q54-V58 WeakPolarHBondContact O-CG2 3.41Å; Q54-V58 PolarHBondContact O-N 3.22Å; L55-V58 PolarHBondContact O-N 3.21Å; V58-Q60 VanDerWaalsContact C-N 3.31Å; V58-Q60 PolarHBondContact O-N 2.99Å; V58-F61 PolarHBondContact O-N 3.37Å; V58-L62 HydrophobicContact CG1-CD1 4.13Å; V58-L62 WeakPolarHBondContact O-CG 3.34Å; V58-L62 PolarHBondContact O-N 3.24Å; V58-L62 VanDerWaalsContact O-N 3.12Å; V58-L96 HydrophobicContact CG2-CD1 3.75Å; V58-A99 HydrophobicContact CG2-CB 3.73Å; V58-F103 HydrophobicContact CG1-CD2 4.16Å; V58-F103 HydrophobicContact CG1-CE2 4.41Å; V58-F103 HydrophobicContact CG2-CD2 4.21Å; V58-F103 HydrophobicContact CG2-CE2 4.23Å; V58-M105 HydrophobicContact CG1-CE 4.39Å; V58-M105 HydrophobicContact CG1-SD 3.87Å; V58-L108 HydrophobicContact CG2-CD2 4.24Å
59V87.3Confident72.4Confident4 Ų468.7 Ų68.72%0.02434%0.34CS..Hα-helixtrans-63-39.1178171.70000111.3L8 F15 V17 L55 A56 M57 L62 R63L8-V59 HydrophobicContact CD1-CG2 4.25Å; F15-V59 HydrophobicContact CB-CB 4.42Å; F15-V59 HydrophobicContact CB-CG1 4.24Å; F15-V59 HydrophobicContact CB-CG2 3.6Å; F15-V59 HydrophobicContact CD1-CG1 4.45Å; F15-V59 HydrophobicContact CD1-CG2 4.37Å; F15-V59 HydrophobicContact CG-CG2 3.94Å; V17-V59 HydrophobicContact CG2-CB 4.46Å; V17-V59 HydrophobicContact CG2-CG1 4.07Å; V17-V59 HydrophobicContact CG2-CG2 3.82Å; L55-V59 VanDerWaalsContact O-CG2 3.23Å; L55-V59 WeakPolarHBondContact O-CG2 3.49Å; L55-V59 PolarHBondContact O-N 3.27Å; A56-V59 PolarHBondContact O-N 2.99Å; M57-V59 VanDerWaalsContact C-N 3.33Å; M57-V59 PolarHBondContact O-N 3.47Å; V59-L62 PolarHBondContact O-N 2.92Å; V59-R63 PolarHBondContact O-N 3.32Å
60Q84.7Confident70Confident71 Ų7168.8 Ų68.833%0.33234%0.341SS..Hα-helixtrans-61.2-43.5176.4-174177.6-4.200111.6A56 M57 V58 L62 R63 L66A56-Q60 WeakPolarHBondContact O-CB 2.98Å; A56-Q60 PolarHBondContact O-N 3.31Å; M57-Q60 WeakPolarHBondContact O-CB 3.42Å; M57-Q60 PolarHBondContact O-N 3.19Å; V58-Q60 VanDerWaalsContact C-N 3.31Å; V58-Q60 PolarHBondContact O-N 2.99Å; Q60-L62 VanDerWaalsContact C-N 3.3Å; Q60-L62 PolarHBondContact O-N 3.12Å; Q60-R63 PolarHBondContact O-N 3.43Å; Q60-L66 HydrophobicContact CG-CD1 4.23Å
61F81.3Confident67.8Low54 Ų5474.3 Ų74.324%0.23737%0.371CS..Hα-helixtrans-62.3-36.7175.2174.9-98.3000112.9M57 V58 R63 M105 K107 L108M57-F61 PolarHBondContact O-N 3.44Å; V58-F61 PolarHBondContact O-N 3.37Å; F61-R63 PolarHBondContact O-N 3.06Å; F61-M105 HydrophobicContact CD1-CE 3.98Å; F61-M105 HydrophobicContact CE1-CE 4.15Å; F61-K107 HydrophobicContact CZ-CB 4.21Å; F61-L108 HydrophobicContact CB-CD1 4.02Å; F61-L108 HydrophobicContact CB-CD2 4.41Å; F61-L108 HydrophobicContact CD1-CB 3.98Å; F61-L108 HydrophobicContact CD1-CD1 4.01Å; F61-L108 HydrophobicContact CD1-CD2 4.07Å; F61-L108 HydrophobicContact CD1-CG 4.24Å; F61-L108 HydrophobicContact CD2-CD1 3.59Å; F61-L108 HydrophobicContact CE1-CB 3.72Å; F61-L108 HydrophobicContact CE1-CD1 4.37Å; F61-L108 HydrophobicContact CE1-CG 4.46Å; F61-L108 HydrophobicContact CE2-CB 4.39Å; F61-L108 HydrophobicContact CE2-CD1 3.95Å; F61-L108 HydrophobicContact CG-CB 4.43Å; F61-L108 HydrophobicContact CG-CD1 3.6Å; F61-L108 HydrophobicContact CG-CD2 4.27Å; F61-L108 HydrophobicContact CG-CG 4.31Å; F61-L108 HydrophobicContact CZ-CB 3.93Å; F61-L108 HydrophobicContact CZ-CD1 4.33Å
62L83.4Confident65.3Low11 Ų1175.9 Ų75.96%0.05838%0.384CS..Hα-helixtrans-71.3-13.6-180-70.3174.4000113.5V17 V21 L22 S25 V58 V59 Q60 P64 M105V17-L62 HydrophobicContact CG1-CB 4.37Å; V17-L62 HydrophobicContact CG1-CD1 4Å; V21-L62 HydrophobicContact CG1-CB 3.83Å; V21-L62 HydrophobicContact CG1-CD2 3.91Å; V21-L62 HydrophobicContact CG1-CG 4.38Å; V21-L62 VanDerWaalsContact CG1-O 3.3Å; V21-L62 WeakPolarHBondContact CG1-O 3.38Å; L22-L62 HydrophobicContact CD2-CD1 3.54Å; S25-L62 VanDerWaalsContact CB-CD2 3.42Å; V58-L62 HydrophobicContact CG1-CD1 4.13Å; V58-L62 WeakPolarHBondContact O-CG 3.34Å; V58-L62 PolarHBondContact O-N 3.24Å; V58-L62 VanDerWaalsContact O-N 3.12Å; V59-L62 PolarHBondContact O-N 2.92Å; Q60-L62 VanDerWaalsContact C-N 3.3Å; Q60-L62 PolarHBondContact O-N 3.12Å; L62-P64 WeakPolarHBondContact O-CD 3.45Å; L62-M105 HydrophobicContact CD1-CE 4.36Å; L62-M105 HydrophobicContact CD2-CE 3.39Å; L62-M105 HydrophobicContact CG-CE 3.96Å
63R76.8Confident63.1Low127 Ų12779.3 Ų79.348%0.47940%0.402SS..  trans-80.6118.1178.6-72-179-177.3-176.51.9110.5V59 Q60 F61 E65 L66V59-R63 PolarHBondContact O-N 3.32Å; Q60-R63 PolarHBondContact O-N 3.43Å; F61-R63 PolarHBondContact O-N 3.06Å; R63-E65 PolarHBondContact O-N 3.24Å; R63-E65 VanDerWaalsContact O-N 3.13Å; R63-L66 HydrophobicContact CB-CD1 4.41Å; R63-L66 PolarHBondContact O-N 3.31Å
64P56.7Low60.6Low99 Ų9979.1 Ų79.164%0.64340%0.404SS*.THydrogen-bonded Turntrans-63.4-21.3-179.623.2-31.4000113.7L62 L66 T67L62-P64 WeakPolarHBondContact O-CD 3.45Å; P64-L66 VanDerWaalsContact C-N 3.3Å; P64-L66 PolarHBondContact O-N 3.26Å; P64-T67 PolarHBondContact O-OG1 3.42Å
65E48.2Very low57.9Low178 Ų17885.3 Ų85.383%0.83244%0.438SS*.THydrogen-bonded Turntrans-75.4-15-178-66.2166.1-178.900113.7R63R63-E65 PolarHBondContact O-N 3.24Å; R63-E65 VanDerWaalsContact O-N 3.13Å
66L42.5Very low55.2Low67 Ų6793.7 Ų93.735%0.35148%0.477SS..THydrogen-bonded Turntrans-112.8-4.4-173.1-83.1153.5000114.2Q60 R63 P64 I68Q60-L66 HydrophobicContact CG-CD1 4.23Å; R63-L66 HydrophobicContact CB-CD1 4.41Å; R63-L66 PolarHBondContact O-N 3.31Å; P64-L66 VanDerWaalsContact C-N 3.3Å; P64-L66 PolarHBondContact O-N 3.26Å; L66-I68 PolarHBondContact O-N 3.06Å; L66-I68 VanDerWaalsContact O-N 3.17Å
67T38.9Very low52.5Low91 Ų9197.1 Ų97.156%0.55850%0.499SS*.THydrogen-bonded Turntrans-71.3-4.4179420000114.7P64P64-T67 PolarHBondContact O-OG1 3.42Å
68I34.4Very low49.9Very low154 Ų154103.1 Ų103.179%0.7954%0.542SS*.THydrogen-bonded Turntrans-122.515.9-175.8-44.8178.9000112.4L66L66-I68 PolarHBondContact O-N 3.06Å; L66-I68 VanDerWaalsContact O-N 3.17Å
69R27.7Very low47Very low210 Ų210105.5 Ų105.579%0.79257%0.567SS**  trans-125.398.7177.5-125.7179.2177.9-174.9-1.6113.2
70D32.9Very low44.3Very low142 Ų142114 Ų11476%0.75961%0.611SS**THydrogen-bonded Turntrans-31.5143.6161.6-63.3-48.8000114.8S72D70-S72 VanDerWaalsContact C-N 3.3Å; D70-S72 PolarHBondContact O-N 3.26Å
71D40.2Very low42.2Very low133 Ų133117 Ų11771%0.71163%0.629SS**THydrogen-bonded Turntrans55.98.4151.3-69.5-21.4000121.5L73 N74D71-L73 VanDerWaalsContact C-N 3.26Å; D71-L73 PolarHBondContact O-N 2.87Å; D71-N74 PolarHBondContact O-N 3.26Å
72S34.3Very low40.6Very low86 Ų86122.5 Ų122.560%0.60166%0.661SS**THydrogen-bonded Turntrans-80.49.8179.562.50000116.5D70D70-S72 VanDerWaalsContact C-N 3.3Å; D70-S72 PolarHBondContact O-N 3.26Å
73L38Very low39.5Very low77 Ų77124.4 Ų124.440%0.40368%0.676SS.*THydrogen-bonded Turntrans-89.32.9166.3-90.3149.9000113.2D71 N75D71-L73 VanDerWaalsContact C-N 3.26Å; D71-L73 PolarHBondContact O-N 2.87Å; L73-N75 VanDerWaalsContact C-N 3.27Å; L73-N75 PolarHBondContact O-N 3.35Å
74N32.4Very low39.5Very low97 Ų97118.8 Ų118.852%0.51966%0.655SS.*  trans-78.38.4-179.5-84.8-29.5000116D71D71-N74 PolarHBondContact O-N 3.26Å
75N28.5Very low40.6Very low148 Ų148117.7 Ų117.779%0.79165%0.648SS**  trans-114.370.6-177.3-82.5-10.7000113.1L73L73-N75 VanDerWaalsContact C-N 3.27Å; L73-N75 PolarHBondContact O-N 3.35Å
76H32.3Very low42.3Very low176 Ų176111.7 Ų111.782%0.81562%0.62SS**SBendtrans-129.899152.3-82.6-64.4000110.8
77S29.8Very low44.3Very low104 Ų104109 Ų10973%0.72761%0.606SS**  trans42.4110.4147.7540000118.7G79S77-G79 PolarHBondContact O-N 3.13Å
78S30Very low46.5Very low135 Ų135109.3 Ų109.394%0.94460%0.604SS**  trans-50.583.7146.654.60000111.1
79G26.5Very low49Very low52 Ų52105.4 Ų105.454%0.53658%0.582SS.*  trans-115.4136.716700000108.3S77 N81S77-G79 PolarHBondContact O-N 3.13Å; G79-N81 PolarHBondContact O-N 3.25Å
80L31.6Very low51.9Low182 Ų18295.5 Ų95.595%0.95354%0.544SS*.  trans-62.753.2178.5-83.4144.1000113.7
81N39.3Very low54.5Low133 Ų13391.2 Ų91.271%0.71152%0.521SS*.  trans-100124.8162-81.6-7.9000107.6G79 S83G79-N81 PolarHBondContact O-N 3.25Å; N81-S83 PolarHBondContact O-N 3.44Å
82N49Very low56.7Low171 Ų17186.3 Ų86.391%0.91449%0.494SS*.  trans-6217.2177.9-77.3-12.7000114.5C84N82-C84 PolarHBondContact O-N 3.15Å
83S60.2Low59.3Low51 Ų5182.3 Ų82.336%0.35747%0.466SS..  trans-78.8119175.952.50000110.1N81N81-S83 PolarHBondContact O-N 3.44Å
84C75.6Confident61.7Low8 Ų878.8 Ų78.85%0.05445%0.448CS..  trans-52.3130.8170.4159.60000110.4N82 E86 T87 L88 H132 C137N82-C84 PolarHBondContact O-N 3.15Å; C84-E86 PolarHBondContact O-N 3.44Å; C84-E86 PolarHBondContact SG-OE2 3.23Å; C84-T87 WeakPolarHBondContact CB-OG1 3.46Å; C84-T87 WeakPolarHBondContact O-CA 3.3Å; C84-T87 WeakPolarHBondContact O-CB 3.45Å; C84-T87 PolarHBondContact O-N 2.87Å; C84-T87 PolarHBondContact O-OG1 3.43Å; C84-L88 PolarHBondContact O-N 3.23Å; C84-H132 PolarHBondContact SG-CE1 2.89Å; C84-C137 HydrophobicContact CB-CB 4.42Å
85P81.1Confident64.2Low76 Ų7677 Ų7749%0.49444%0.438SS..Hα-helixtrans-63.1-30.1-176.221.9-29.4000112.4T87 L88 K89P85-T87 VanDerWaalsContact C-N 3.29Å; P85-T87 PolarHBondContact O-N 3.45Å; P85-L88 PolarHBondContact O-N 2.93Å; P85-K89 WeakPolarHBondContact O-CG 3.49Å; P85-K89 PolarHBondContact O-N 3.33Å
86E84.1Confident67Low53 Ų5370.8 Ų70.825%0.24841%0.405CS..Hα-helixtrans-63.3-35.7172.6-63.367.6-151.700111.5C84 L88 K89 I90 I119 H132 I139C84-E86 PolarHBondContact O-N 3.44Å; C84-E86 PolarHBondContact SG-OE2 3.23Å; E86-L88 VanDerWaalsContact C-N 3.35Å; E86-L88 PolarHBondContact O-N 3.07Å; E86-K89 PolarHBondContact O-N 3.14Å; E86-I90 WeakPolarHBondContact O-CG1 3.43Å; E86-I90 PolarHBondContact O-N 3.15Å; E86-I119 HydrophobicContact CB-CG2 4.37Å; E86-H132 IonicContact OE2-CE1 2.71Å; E86-I139 HydrophobicContact CB-CD1 4.29Å
87T84.4Confident69.7Low9 Ų962.4 Ų62.46%0.05537%0.366CS..Hα-helixtrans-58.1-48.6175.2-55.20000110.6C84 P85 K89 I90 L91 I139 V142C84-T87 WeakPolarHBondContact CB-OG1 3.46Å; C84-T87 WeakPolarHBondContact O-CA 3.3Å; C84-T87 WeakPolarHBondContact O-CB 3.45Å; C84-T87 PolarHBondContact O-N 2.87Å; C84-T87 PolarHBondContact O-OG1 3.43Å; P85-T87 VanDerWaalsContact C-N 3.29Å; P85-T87 PolarHBondContact O-N 3.45Å; T87-K89 VanDerWaalsContact C-N 3.34Å; T87-K89 PolarHBondContact O-N 3.3Å; T87-I90 PolarHBondContact O-N 2.89Å; T87-L91 HydrophobicContact CG2-CD1 3.99Å; T87-L91 HydrophobicContact CG2-CG 4.44Å; T87-L91 VanDerWaalsContact O-CG 3.32Å; T87-L91 WeakPolarHBondContact O-CG 3.41Å; T87-L91 PolarHBondContact O-N 2.88Å; T87-I139 WeakPolarHBondContact OG1-CD1 3.49Å; T87-V142 HydrophobicContact CG2-CB 4.15Å; T87-V142 HydrophobicContact CG2-CG1 3.75Å; T87-V142 HydrophobicContact CG2-CG2 4.02Å
88L85Confident72.3Confident98 Ų9858.6 Ų58.651%0.51334%0.337SS..Hα-helixtrans-62.4-42.2179.9-65.9173.9000111.5C84 P85 E86 I90 L91 E92C84-L88 PolarHBondContact O-N 3.23Å; P85-L88 PolarHBondContact O-N 2.93Å; E86-L88 VanDerWaalsContact C-N 3.35Å; E86-L88 PolarHBondContact O-N 3.07Å; L88-I90 VanDerWaalsContact C-N 3.34Å; L88-I90 PolarHBondContact O-N 2.95Å; L88-L91 PolarHBondContact O-N 3.35Å; L88-E92 WeakPolarHBondContact O-CB 3.39Å; L88-E92 PolarHBondContact O-N 3.38Å
89K87.2Confident75Confident72 Ų7252.2 Ų52.231%0.31329%0.293SS..Hα-helixtrans-63.1-38.4177.8-68.6175-179.9178.70112.7P85 E86 T87 A93 I119P85-K89 WeakPolarHBondContact O-CG 3.49Å; P85-K89 PolarHBondContact O-N 3.33Å; E86-K89 PolarHBondContact O-N 3.14Å; T87-K89 VanDerWaalsContact C-N 3.34Å; T87-K89 PolarHBondContact O-N 3.3Å; K89-A93 WeakPolarHBondContact O-CB 3.3Å; K89-A93 PolarHBondContact O-N 3.07Å; K89-I119 HydrophobicContact CB-CD1 3.73Å
90I88Confident78Confident2 Ų249.7 Ų49.71%0.0127%0.267CS..Hα-helixtrans-68-47.5176.6-69.1174.3000110.1E86 T87 L88 E92 A93 L94 I119 M120 I139 I143 F162E86-I90 WeakPolarHBondContact O-CG1 3.43Å; E86-I90 PolarHBondContact O-N 3.15Å; T87-I90 PolarHBondContact O-N 2.89Å; L88-I90 VanDerWaalsContact C-N 3.34Å; L88-I90 PolarHBondContact O-N 2.95Å; I90-E92 PolarHBondContact O-N 3.5Å; I90-A93 PolarHBondContact O-N 3.03Å; I90-L94 HydrophobicContact CG2-CD1 3.79Å; I90-L94 HydrophobicContact CG2-CG 4.25Å; I90-L94 WeakPolarHBondContact O-CB 3.4Å; I90-L94 VanDerWaalsContact O-CG 3.29Å; I90-L94 WeakPolarHBondContact O-CG 3.41Å; I90-L94 PolarHBondContact O-N 3Å; I90-I119 HydrophobicContact CD1-CG2 4.04Å; I90-I119 HydrophobicContact CG1-CB 4.46Å; I90-I119 HydrophobicContact CG1-CD1 4.43Å; I90-I119 HydrophobicContact CG1-CG2 3.78Å; I90-M120 HydrophobicContact CD1-SD 4.11Å; I90-I139 HydrophobicContact CD1-CD1 4.11Å; I90-I143 HydrophobicContact CD1-CD1 4.28Å; I90-I143 HydrophobicContact CD1-CG1 4.2Å; I90-F162 HydrophobicContact CG2-CZ 4.48Å
91L87.8Confident80.6Confident52 Ų5244.3 Ų44.327%0.27224%0.239SC..Hα-helixtrans-60.7-46.2179.8-68.8173.5000111.9T87 L88 A93 L94 D95 V142 E146T87-L91 HydrophobicContact CG2-CD1 3.99Å; T87-L91 HydrophobicContact CG2-CG 4.44Å; T87-L91 VanDerWaalsContact O-CG 3.32Å; T87-L91 WeakPolarHBondContact O-CG 3.41Å; T87-L91 PolarHBondContact O-N 2.88Å; L88-L91 PolarHBondContact O-N 3.35Å; L91-A93 VanDerWaalsContact C-N 3.33Å; L91-A93 PolarHBondContact O-N 3.13Å; L91-L94 PolarHBondContact O-N 3.17Å; L91-D95 WeakPolarHBondContact O-CB 3.46Å; L91-D95 PolarHBondContact O-N 3.46Å; L91-V142 HydrophobicContact CD2-CG1 4.42Å; L91-E146 VanDerWaalsContact CD2-CD 3.48Å; L91-E146 HydrophobicContact CD2-CG 3.62Å
92E86.7Confident83Confident31 Ų3142.8 Ų42.815%0.14522%0.224CC..Hα-helixtrans-57.2-45.4175.9-174.3-157.9139.600111.6M57 L88 I90 L96 R115M57-E92 HydrophobicContact CE-CG 4.37Å; M57-E92 HydrophobicContact SD-CG 3.53Å; M57-E92 VanDerWaalsContact SD-CG 3.53Å; L88-E92 WeakPolarHBondContact O-CB 3.39Å; L88-E92 PolarHBondContact O-N 3.38Å; I90-E92 PolarHBondContact O-N 3.5Å; E92-L96 WeakPolarHBondContact O-CB 3.47Å; E92-L96 PolarHBondContact O-N 3.37Å; E92-L96 VanDerWaalsContact O-N 3.07Å; E92-R115 IonicContact OE1-CZ 3.14Å; E92-R115 IonicContact OE1-NH1 3.13Å; E92-R115 PolarHBondContact OE1-NH1 2.71Å; E92-R115 IonicContact OE1-NH2 3.47Å; E92-R115 PolarHBondContact OE1-NH2 3.22Å; E92-R115 VanDerWaalsContact OE1-NH2 3.13Å; E92-R115 IonicContact OE2-NH2 3.53Å; E92-R115 PolarHBondContact OE2-NH2 3.04Å; E92-R115 VanDerWaalsContact OE2-NH2 3.14Å
93A88.2Confident84.9Confident1 Ų134.6 Ų34.61%0.00818%0.18CC..Hα-helixtrans-69.3-33.4-179.900000112.9K89 I90 L91 A97 I116K89-A93 WeakPolarHBondContact O-CB 3.3Å; K89-A93 PolarHBondContact O-N 3.07Å; I90-A93 PolarHBondContact O-N 3.03Å; L91-A93 VanDerWaalsContact C-N 3.33Å; L91-A93 PolarHBondContact O-N 3.13Å; A93-A97 WeakPolarHBondContact O-CB 3.42Å; A93-A97 PolarHBondContact O-N 3.09Å; A93-I116 HydrophobicContact CB-CD1 4.1Å; A93-I116 HydrophobicContact CB-CG1 3.6Å
94L88Confident86.3Confident4 Ų437 Ų372%0.02119%0.186CC..Hα-helixtrans-69-46.6174.3-75.7173.7000111.8I90 L91 L96 A97 D98 I116 E146 V150 V158 F162I90-L94 HydrophobicContact CG2-CD1 3.79Å; I90-L94 HydrophobicContact CG2-CG 4.25Å; I90-L94 WeakPolarHBondContact O-CB 3.4Å; I90-L94 VanDerWaalsContact O-CG 3.29Å; I90-L94 WeakPolarHBondContact O-CG 3.41Å; I90-L94 PolarHBondContact O-N 3Å; L91-L94 PolarHBondContact O-N 3.17Å; L94-L96 PolarHBondContact O-N 3.15Å; L94-A97 WeakPolarHBondContact O-CB 3.37Å; L94-A97 PolarHBondContact O-N 3.21Å; L94-D98 PolarHBondContact O-N 3.34Å; L94-I116 HydrophobicContact CD2-CD1 3.9Å; L94-I116 HydrophobicContact CG-CD1 4.27Å; L94-E146 HydrophobicContact CD1-CB 3.61Å; L94-E146 HydrophobicContact CD1-CG 3.82Å; L94-V150 HydrophobicContact CD2-CG2 3.94Å; L94-V158 HydrophobicContact CD2-CG1 3.59Å; L94-F162 HydrophobicContact CD1-CZ 4.13Å; L94-F162 HydrophobicContact CD2-CE2 3.85Å; L94-F162 HydrophobicContact CD2-CZ 4.13Å
95D84.9Confident87Confident59 Ų5936.7 Ų36.732%0.31618%0.184SC..Hα-helixtrans-57.4-41.2175.9-83.9-29.7000111.5Q54 M57 L91 A99Q54-D95 HydrophobicContact CG-CB 3.93Å; Q54-D95 PolarHBondContact NE2-OD1 3.46Å; M57-D95 HydrophobicContact CE-CB 4.26Å; L91-D95 WeakPolarHBondContact O-CB 3.46Å; L91-D95 PolarHBondContact O-N 3.46Å; D95-A99 PolarHBondContact O-N 2.77Å
96L87.8Confident87.2Confident17 Ų1736.9 Ų36.99%0.08919%0.185CC..Hα-helixtrans-68.3-38.1174.4-17554.5000112.5M57 V58 E92 L94 A99 A100 L108M57-L96 HydrophobicContact CB-CD1 3.62Å; M57-L96 HydrophobicContact CB-CD2 4.29Å; M57-L96 HydrophobicContact CB-CG 4.42Å; M57-L96 HydrophobicContact CE-CB 3.98Å; M57-L96 HydrophobicContact SD-CB 4.34Å; V58-L96 HydrophobicContact CG2-CD1 3.75Å; E92-L96 WeakPolarHBondContact O-CB 3.47Å; E92-L96 PolarHBondContact O-N 3.37Å; E92-L96 VanDerWaalsContact O-N 3.07Å; L94-L96 PolarHBondContact O-N 3.15Å; L96-A99 PolarHBondContact O-N 2.9Å; L96-A100 VanDerWaalsContact O-CB 3.3Å; L96-A100 WeakPolarHBondContact O-CB 3.11Å; L96-A100 PolarHBondContact O-N 3.19Å; L96-L108 HydrophobicContact CD1-CD1 4.38Å; L96-L108 HydrophobicContact CD1-CD2 3.96Å; L96-L108 HydrophobicContact CD2-CD1 4.01Å; L96-L108 HydrophobicContact CG-CD1 4.1Å; L96-L108 HydrophobicContact CG-CD2 4.42Å; L96-L108 HydrophobicContact CG-CG 4.46Å
97A88.3Confident87.4Confident0 Ų041.6 Ų41.60%021%0.205CC..Hα-helixtrans-64.7-39.8177.800000111.9A93 L94 A100 D101 C112 V158A93-A97 WeakPolarHBondContact O-CB 3.42Å; A93-A97 PolarHBondContact O-N 3.09Å; L94-A97 WeakPolarHBondContact O-CB 3.37Å; L94-A97 PolarHBondContact O-N 3.21Å; A97-A100 PolarHBondContact O-N 3.38Å; A97-D101 WeakPolarHBondContact O-CB 3.46Å; A97-D101 PolarHBondContact O-N 2.6Å; A97-C112 HydrophobicContact CB-CB 3.9Å; A97-V158 HydrophobicContact CB-CG2 4.08Å
98D85.5Confident87.6Confident25 Ų2541.3 Ų41.313%0.13420%0.203CC..Hα-helixtrans-67-39.9177.3-72.4-23.7000111.9L94 D101 Y102 R153L94-D98 PolarHBondContact O-N 3.34Å; D98-D101 PolarHBondContact O-N 3.42Å; D98-Y102 PolarHBondContact O-N 3.03Å; D98-R153 IonicContact OD2-CZ 3.78Å; D98-R153 IonicContact OD2-NH1 2.6Å; D98-R153 PolarHBondContact OD2-NH1 2.88Å
99A86.7Confident87.7Confident0 Ų037.5 Ų37.50%018%0.183CC..Hα-helixtrans-63.5-43.8171.400000112F50 Q54 V58 D95 L96 D101 Y102 F103F50-A99 HydrophobicContact CD1-CB 3.97Å; F50-A99 VanDerWaalsContact CE1-CA 3.4Å; F50-A99 HydrophobicContact CE1-CB 3.57Å; F50-A99 HydrophobicContact CZ-CB 4.46Å; Q54-A99 HydrophobicContact CB-CB 4.47Å; V58-A99 HydrophobicContact CG2-CB 3.73Å; D95-A99 PolarHBondContact O-N 2.77Å; L96-A99 PolarHBondContact O-N 2.9Å; A99-D101 VanDerWaalsContact C-N 3.32Å; A99-D101 PolarHBondContact O-N 3.34Å; A99-Y102 PolarHBondContact O-N 2.98Å; A99-F103 HydrophobicContact CB-CD2 4.46Å; A99-F103 HydrophobicContact CB-CE2 4.3Å; A99-F103 WeakPolarHBondContact O-CB 3.45Å; A99-F103 WeakPolarHBondContact O-CD2 3.36Å; A99-F103 WeakPolarHBondContact O-CG 3.38Å; A99-F103 PolarHBondContact O-N 3.22Å
100A88Confident87.8Confident0 Ų039.6 Ų39.60%019%0.194CC..Hα-helixtrans-63.5-3717800000112.8L96 A97 F103 Q104 M105 L108 I109L96-A100 VanDerWaalsContact O-CB 3.3Å; L96-A100 WeakPolarHBondContact O-CB 3.11Å; L96-A100 PolarHBondContact O-N 3.19Å; A97-A100 PolarHBondContact O-N 3.38Å; A100-F103 CarbonylContact O-C 3.57Å; A100-Q104 PolarHBondContact O-N 2.94Å; A100-M105 HydrophobicContact CB-CB 4.37Å; A100-M105 PolarHBondContact O-N 3.37Å; A100-L108 HydrophobicContact CB-CB 3.93Å; A100-L108 HydrophobicContact CB-CD2 3.63Å; A100-L108 HydrophobicContact CB-CG 3.56Å; A100-I109 HydrophobicContact CB-CG1 3.67Å
101D87Confident87.7Confident68 Ų6842.6 Ų42.636%0.36421%0.212SC..Hα-helixtrans-67.5-47.6176.7-168.257.1000111.4A97 D98 A99 F103 Q104 I109A97-D101 WeakPolarHBondContact O-CB 3.46Å; A97-D101 PolarHBondContact O-N 2.6Å; D98-D101 PolarHBondContact O-N 3.42Å; A99-D101 VanDerWaalsContact C-N 3.32Å; A99-D101 PolarHBondContact O-N 3.34Å; D101-F103 VanDerWaalsContact C-N 3.32Å; D101-F103 PolarHBondContact O-N 2.89Å; D101-Q104 WeakPolarHBondContact O-CA 3.5Å; D101-Q104 PolarHBondContact O-N 3.41Å; D101-I109 HydrophobicContact CB-CD1 4.34Å
102Y88.5Confident87.8Confident101 Ų10140.3 Ų40.340%0.39620%0.2SC..Hα-helixtrans-57.2-44.3173.9-179.8-89.4000112.4Y28 F47 F50 D98 A99 Q104Y28-Y102 HydrophobicContact CE2-CE1 4.47Å; F47-Y102 AromaticContact CD1-CE1 3.99Å; F47-Y102 HydrophobicContact CD1-CE1 3.99Å; F47-Y102 AromaticContact CE1-CE1 3.95Å; F47-Y102 HydrophobicContact CE1-CE1 3.95Å; F50-Y102 AromaticContact CE2-CD1 3.46Å; F50-Y102 HydrophobicContact CE2-CD1 3.46Å; F50-Y102 VanDerWaalsContact CE2-CD1 3.46Å; F50-Y102 HydrophobicContact CE2-CD2 4.02Å; F50-Y102 AromaticContact CE2-CE1 3.79Å; F50-Y102 HydrophobicContact CE2-CE1 3.79Å; F50-Y102 HydrophobicContact CE2-CE2 4.29Å; F50-Y102 AromaticContact CE2-CG 3.6Å; F50-Y102 HydrophobicContact CE2-CG 3.6Å; F50-Y102 AromaticContact CZ-CD1 3.7Å; F50-Y102 HydrophobicContact CZ-CD1 3.7Å; F50-Y102 HydrophobicContact CZ-CD2 4.1Å; F50-Y102 HydrophobicContact CZ-CE1 4.47Å; F50-Y102 AromaticContact CZ-CG 3.49Å; F50-Y102 HydrophobicContact CZ-CG 3.49Å; F50-Y102 VanDerWaalsContact CZ-CG 3.49Å; D98-Y102 PolarHBondContact O-N 3.03Å; A99-Y102 PolarHBondContact O-N 2.98Å; Y102-Q104 PolarHBondContact O-N 2.93Å
103F89.3Confident87.9Confident0 Ų040.2 Ų40.20%020%0.202CC..THydrogen-bonded Turntrans-78.80.5176.2-63-49.8000113.6S26 Y28 F29 F47 F50 L55 V58 A99 A100 D101 M105S26-F103 WeakPolarHBondContact CB-O 3.26Å; S26-F103 PolarHBondContact OG-O 3.39Å; Y28-F103 VanDerWaalsContact CB-O 3.32Å; Y28-F103 WeakPolarHBondContact CB-O 3.37Å; Y28-F103 HydrophobicContact CD1-CD1 4.15Å; F29-F103 AromaticContact CE2-CD1 3.82Å; F29-F103 HydrophobicContact CE2-CD1 3.82Å; F29-F103 HydrophobicContact CE2-CE1 4.25Å; F29-F103 HydrophobicContact CE2-CG 4.25Å; F29-F103 HydrophobicContact CZ-CD1 4.13Å; F29-F103 HydrophobicContact CZ-CE1 4.15Å; F47-F103 AromaticContact CD1-CE1 3.95Å; F47-F103 HydrophobicContact CD1-CE1 3.95Å; F47-F103 HydrophobicContact CD1-CZ 4.24Å; F47-F103 HydrophobicContact CD2-CE1 4.22Å; F47-F103 HydrophobicContact CD2-CZ 4.02Å; F47-F103 AromaticContact CE1-CE1 3.52Å; F47-F103 HydrophobicContact CE1-CE1 3.52Å; F47-F103 HydrophobicContact CE1-CZ 4.21Å; F47-F103 AromaticContact CE2-CE1 3.79Å; F47-F103 HydrophobicContact CE2-CE1 3.79Å; F47-F103 AromaticContact CE2-CZ 3.96Å; F47-F103 HydrophobicContact CE2-CZ 3.96Å; F47-F103 HydrophobicContact CG-CE1 4.29Å; F47-F103 HydrophobicContact CG-CZ 4.16Å; F47-F103 HydrophobicContact CZ-CD1 4.4Å; F47-F103 AromaticContact CZ-CE1 3.42Å; F47-F103 HydrophobicContact CZ-CE1 3.42Å; F47-F103 VanDerWaalsContact CZ-CE1 3.42Å; F47-F103 HydrophobicContact CZ-CZ 4.06Å; F50-F103 HydrophobicContact CE2-CZ 4.43Å; L55-F103 HydrophobicContact CD1-CE2 4.26Å; L55-F103 HydrophobicContact CD1-CZ 4.17Å; V58-F103 HydrophobicContact CG1-CD2 4.16Å; V58-F103 HydrophobicContact CG1-CE2 4.41Å; V58-F103 HydrophobicContact CG2-CD2 4.21Å; V58-F103 HydrophobicContact CG2-CE2 4.23Å; A99-F103 HydrophobicContact CB-CD2 4.46Å; A99-F103 HydrophobicContact CB-CE2 4.3Å; A99-F103 WeakPolarHBondContact O-CB 3.45Å; A99-F103 WeakPolarHBondContact O-CD2 3.36Å; A99-F103 WeakPolarHBondContact O-CG 3.38Å; A99-F103 PolarHBondContact O-N 3.22Å; A100-F103 CarbonylContact O-C 3.57Å; D101-F103 VanDerWaalsContact C-N 3.32Å; D101-F103 PolarHBondContact O-N 2.89Å; F103-M105 HydrophobicContact CB-CG 3.79Å; F103-M105 HydrophobicContact CB-SD 3.86Å; F103-M105 PolarHBondContact O-N 3.47Å
104Q89.4Confident88Confident102 Ų10245.7 Ų45.748%0.47723%0.227SC..THydrogen-bonded Turntrans48.161-177.1-59-179.4-800111.7L27 A100 D101 Y102 P106L27-Q104 HydrophobicContact CB-CB 3.83Å; L27-Q104 HydrophobicContact CD1-CB 4.46Å; L27-Q104 PolarHBondContact N-O 3.31Å; A100-Q104 PolarHBondContact O-N 2.94Å; D101-Q104 WeakPolarHBondContact O-CA 3.5Å; D101-Q104 PolarHBondContact O-N 3.41Å; Y102-Q104 PolarHBondContact O-N 2.93Å; Q104-P106 VanDerWaalsContact O-CD 3.28Å; Q104-P106 WeakPolarHBondContact O-CD 3.3Å
105M90.4Very high88Confident1 Ų149.2 Ų49.21%0.00524%0.24CC..  trans-111.281.6-178.6-65.3-177.869.500111.1S25 V58 F61 L62 A100 F103 K107 L108 I109S25-M105 WeakPolarHBondContact O-CG 3.48Å; V58-M105 HydrophobicContact CG1-CE 4.39Å; V58-M105 HydrophobicContact CG1-SD 3.87Å; F61-M105 HydrophobicContact CD1-CE 3.98Å; F61-M105 HydrophobicContact CE1-CE 4.15Å; L62-M105 HydrophobicContact CD1-CE 4.36Å; L62-M105 HydrophobicContact CD2-CE 3.39Å; L62-M105 HydrophobicContact CG-CE 3.96Å; A100-M105 HydrophobicContact CB-CB 4.37Å; A100-M105 PolarHBondContact O-N 3.37Å; F103-M105 HydrophobicContact CB-CG 3.79Å; F103-M105 HydrophobicContact CB-SD 3.86Å; F103-M105 PolarHBondContact O-N 3.47Å; M105-K107 VanDerWaalsContact C-N 3.29Å; M105-K107 PolarHBondContact O-N 3.14Å; M105-K107 VanDerWaalsContact O-N 3.15Å; M105-L108 HydrophobicContact CB-CB 3.98Å; M105-L108 HydrophobicContact CE-CB 4.45Å; M105-L108 HydrophobicContact CE-CD2 4.14Å; M105-L108 PolarHBondContact O-N 2.96Å; M105-L108 HydrophobicContact SD-CD2 4.17Å; M105-I109 WeakPolarHBondContact O-CG1 3.43Å; M105-I109 PolarHBondContact O-N 3.21Å
106P86.4Confident88.3Confident80 Ų8046.4 Ų46.452%0.51923%0.225SC..Hα-helixtrans-57.9-37.1-170.1-25.633.7000114.4Q104 I109 Q110Q104-P106 VanDerWaalsContact O-CD 3.28Å; Q104-P106 WeakPolarHBondContact O-CD 3.3Å; P106-I109 PolarHBondContact O-N 3.2Å; P106-Q110 WeakPolarHBondContact O-CB 3.49Å; P106-Q110 PolarHBondContact O-N 2.93Å
107K87.4Confident88.5Confident152 Ų15247.1 Ų47.166%0.66123%0.232SC*.Hα-helixtrans-65-42.3178.3-69.9-178.6178.7176.40111.9F61 M105 Q110 T111F61-K107 HydrophobicContact CZ-CB 4.21Å; M105-K107 VanDerWaalsContact C-N 3.29Å; M105-K107 PolarHBondContact O-N 3.14Å; M105-K107 VanDerWaalsContact O-N 3.15Å; K107-Q110 PolarHBondContact O-N 3.32Å; K107-T111 PolarHBondContact O-N 2.93Å; K107-T111 PolarHBondContact O-OG1 3.34Å; K107-T111 VanDerWaalsContact O-OG1 3.07Å
108L88.4Confident88.5Confident3 Ų352.8 Ų52.82%0.01626%0.258CS..Hα-helixtrans-69-43.2178.7179.753.2000110.8V58 F61 L96 A100 M105 Q110 T111 C112V58-L108 HydrophobicContact CG2-CD2 4.24Å; F61-L108 HydrophobicContact CB-CD1 4.02Å; F61-L108 HydrophobicContact CB-CD2 4.41Å; F61-L108 HydrophobicContact CD1-CB 3.98Å; F61-L108 HydrophobicContact CD1-CD1 4.01Å; F61-L108 HydrophobicContact CD1-CD2 4.07Å; F61-L108 HydrophobicContact CD1-CG 4.24Å; F61-L108 HydrophobicContact CD2-CD1 3.59Å; F61-L108 HydrophobicContact CE1-CB 3.72Å; F61-L108 HydrophobicContact CE1-CD1 4.37Å; F61-L108 HydrophobicContact CE1-CG 4.46Å; F61-L108 HydrophobicContact CE2-CB 4.39Å; F61-L108 HydrophobicContact CE2-CD1 3.95Å; F61-L108 HydrophobicContact CG-CB 4.43Å; F61-L108 HydrophobicContact CG-CD1 3.6Å; F61-L108 HydrophobicContact CG-CD2 4.27Å; F61-L108 HydrophobicContact CG-CG 4.31Å; F61-L108 HydrophobicContact CZ-CB 3.93Å; F61-L108 HydrophobicContact CZ-CD1 4.33Å; L96-L108 HydrophobicContact CD1-CD1 4.38Å; L96-L108 HydrophobicContact CD1-CD2 3.96Å; L96-L108 HydrophobicContact CD2-CD1 4.01Å; L96-L108 HydrophobicContact CG-CD1 4.1Å; L96-L108 HydrophobicContact CG-CD2 4.42Å; L96-L108 HydrophobicContact CG-CG 4.46Å; A100-L108 HydrophobicContact CB-CB 3.93Å; A100-L108 HydrophobicContact CB-CD2 3.63Å; A100-L108 HydrophobicContact CB-CG 3.56Å; M105-L108 HydrophobicContact CB-CB 3.98Å; M105-L108 HydrophobicContact CE-CB 4.45Å; M105-L108 HydrophobicContact CE-CD2 4.14Å; M105-L108 PolarHBondContact O-N 2.96Å; M105-L108 HydrophobicContact SD-CD2 4.17Å; L108-Q110 VanDerWaalsContact C-N 3.27Å; L108-Q110 PolarHBondContact O-N 3.13Å; L108-T111 PolarHBondContact O-N 2.86Å; L108-T111 VanDerWaalsContact O-N 3.13Å; L108-C112 PolarHBondContact O-N 3.24Å; L108-C112 PolarHBondContact O-SG 3.37Å; L108-C112 VanDerWaalsContact O-SG 3.38Å
109I88.3Confident88.8Confident18 Ų1852.5 Ų52.59%0.09226%0.256CS..Hα-helixtrans-55-46.7173.1-61.7167.9000110.1A100 D101 M105 P106 T111 C112 V113 C157A100-I109 HydrophobicContact CB-CG1 3.67Å; D101-I109 HydrophobicContact CB-CD1 4.34Å; M105-I109 WeakPolarHBondContact O-CG1 3.43Å; M105-I109 PolarHBondContact O-N 3.21Å; P106-I109 PolarHBondContact O-N 3.2Å; I109-T111 PolarHBondContact O-N 2.91Å; I109-C112 PolarHBondContact O-N 3.38Å; I109-V113 HydrophobicContact CG2-CG2 4.4Å; I109-V113 VanDerWaalsContact O-CG2 3.26Å; I109-V113 WeakPolarHBondContact O-CG2 3.28Å; I109-V113 PolarHBondContact O-N 2.88Å; I109-C157 HydrophobicContact CG2-CB 4.18Å
110Q87.9Confident89Confident116 Ų11652.5 Ų52.554%0.54226%0.256SS..Hα-helixtrans-60.5-43.9177.4-174179.78.100112.3P106 K107 L108 V113 Q114P106-Q110 WeakPolarHBondContact O-CB 3.49Å; P106-Q110 PolarHBondContact O-N 2.93Å; K107-Q110 PolarHBondContact O-N 3.32Å; L108-Q110 VanDerWaalsContact C-N 3.27Å; L108-Q110 PolarHBondContact O-N 3.13Å; Q110-V113 PolarHBondContact O-N 3.36Å; Q110-Q114 WeakPolarHBondContact O-CB 3.45Å; Q110-Q114 VanDerWaalsContact O-CG 3.3Å; Q110-Q114 WeakPolarHBondContact O-CG 3.32Å; Q110-Q114 PolarHBondContact O-N 3.29Å
111T87.7Confident89Confident64 Ų6456.3 Ų56.339%0.39328%0.277SS..Hα-helixtrans-62.8-43.2176.2-58.10000112K107 L108 I109 Q114 R115K107-T111 PolarHBondContact O-N 2.93Å; K107-T111 PolarHBondContact O-OG1 3.34Å; K107-T111 VanDerWaalsContact O-OG1 3.07Å; L108-T111 PolarHBondContact O-N 2.86Å; L108-T111 VanDerWaalsContact O-N 3.13Å; I109-T111 PolarHBondContact O-N 2.91Å; T111-Q114 PolarHBondContact O-N 3.41Å; T111-R115 WeakPolarHBondContact O-CB 3.47Å; T111-R115 PolarHBondContact O-N 3.29Å
112C89.4Confident89.1Confident4 Ų457.3 Ų57.33%0.02728%0.279CS..Hα-helixtrans-61-46.9175.5-69.80000111.6A97 L108 I109 Q114 R115 I116A97-C112 HydrophobicContact CB-CB 3.9Å; L108-C112 PolarHBondContact O-N 3.24Å; L108-C112 PolarHBondContact O-SG 3.37Å; L108-C112 VanDerWaalsContact O-SG 3.38Å; I109-C112 PolarHBondContact O-N 3.38Å; C112-Q114 VanDerWaalsContact C-N 3.32Å; C112-Q114 PolarHBondContact O-N 3.04Å; C112-R115 PolarHBondContact O-N 2.83Å; C112-I116 VanDerWaalsContact O-CG1 3.31Å; C112-I116 WeakPolarHBondContact O-CG1 3.46Å; C112-I116 PolarHBondContact O-N 3.41Å
113V89.1Confident89.1Confident30 Ų3052.6 Ų52.618%0.18226%0.261CS..Hα-helixtrans-60.3-42.2177.5170.50000111.2I109 Q110 S117 C157 V158 L161I109-V113 HydrophobicContact CG2-CG2 4.4Å; I109-V113 VanDerWaalsContact O-CG2 3.26Å; I109-V113 WeakPolarHBondContact O-CG2 3.28Å; I109-V113 PolarHBondContact O-N 2.88Å; Q110-V113 PolarHBondContact O-N 3.36Å; V113-S117 VanDerWaalsContact O-CB 3.26Å; V113-S117 WeakPolarHBondContact O-CB 3.18Å; V113-S117 PolarHBondContact O-N 2.9Å; V113-C157 HydrophobicContact CG2-CB 3.98Å; V113-V158 HydrophobicContact CG2-CG2 4.02Å; V113-L161 HydrophobicContact CG1-CD2 4.37Å
114Q89.1Confident89.1Confident116 Ų11653 Ų5354%0.54226%0.262SS..Hα-helixtrans-62.8-43.7175-74.6173-14.100112.1Q110 T111 C112 S117 H118Q110-Q114 WeakPolarHBondContact O-CB 3.45Å; Q110-Q114 VanDerWaalsContact O-CG 3.3Å; Q110-Q114 WeakPolarHBondContact O-CG 3.32Å; Q110-Q114 PolarHBondContact O-N 3.29Å; T111-Q114 PolarHBondContact O-N 3.41Å; C112-Q114 VanDerWaalsContact C-N 3.32Å; C112-Q114 PolarHBondContact O-N 3.04Å; Q114-S117 PolarHBondContact O-N 3.3Å; Q114-H118 PolarHBondContact O-N 3.38Å
115R89.2Confident88.9Confident77 Ų7751.9 Ų51.929%0.29126%0.257SS..Hα-helixtrans-62.6-47.8177.1-174.2175177.3-167.4-6.5111.5E92 T111 C112 S117 H118 I119E92-R115 IonicContact OE1-CZ 3.14Å; E92-R115 IonicContact OE1-NH1 3.13Å; E92-R115 PolarHBondContact OE1-NH1 2.71Å; E92-R115 IonicContact OE1-NH2 3.47Å; E92-R115 PolarHBondContact OE1-NH2 3.22Å; E92-R115 VanDerWaalsContact OE1-NH2 3.13Å; E92-R115 IonicContact OE2-NH2 3.53Å; E92-R115 PolarHBondContact OE2-NH2 3.04Å; E92-R115 VanDerWaalsContact OE2-NH2 3.14Å; T111-R115 WeakPolarHBondContact O-CB 3.47Å; T111-R115 PolarHBondContact O-N 3.29Å; C112-R115 PolarHBondContact O-N 2.83Å; R115-S117 PolarHBondContact O-N 3.18Å; R115-H118 PolarHBondContact O-N 3.18Å; R115-I119 HydrophobicContact CG-CD1 4.21Å; R115-I119 WeakPolarHBondContact O-CG1 3.34Å; R115-I119 PolarHBondContact O-N 3.19Å; R115-I119 VanDerWaalsContact O-N 3.08Å
116I91.1Very high88.4Confident0 Ų056.5 Ų56.50%029%0.288CS..Hα-helixtrans-62.3-44.9177.3-62.6165.2000110A93 L94 C112 H118 I119 M120 V158 L161 F162A93-I116 HydrophobicContact CB-CD1 4.1Å; A93-I116 HydrophobicContact CB-CG1 3.6Å; L94-I116 HydrophobicContact CD2-CD1 3.9Å; L94-I116 HydrophobicContact CG-CD1 4.27Å; C112-I116 VanDerWaalsContact O-CG1 3.31Å; C112-I116 WeakPolarHBondContact O-CG1 3.46Å; C112-I116 PolarHBondContact O-N 3.41Å; I116-H118 VanDerWaalsContact C-N 3.3Å; I116-H118 PolarHBondContact O-N 3.04Å; I116-I119 PolarHBondContact O-N 3.49Å; I116-M120 HydrophobicContact CG2-CG 4.01Å; I116-M120 WeakPolarHBondContact O-CB 3.29Å; I116-M120 WeakPolarHBondContact O-CG 3.32Å; I116-M120 PolarHBondContact O-N 3.27Å; I116-V158 HydrophobicContact CD1-CG1 4.46Å; I116-L161 HydrophobicContact CB-CD2 3.78Å; I116-L161 HydrophobicContact CG2-CD2 3.52Å; I116-F162 HydrophobicContact CG2-CE2 4.36Å
117S90.3Very high88.4Confident33 Ų3360.7 Ų60.723%0.23130%0.298CS..Hα-helixtrans-59.2-41.6177.6-179.30000112V113 Q114 R115 M120 N121 Y165V113-S117 VanDerWaalsContact O-CB 3.26Å; V113-S117 WeakPolarHBondContact O-CB 3.18Å; V113-S117 PolarHBondContact O-N 2.9Å; Q114-S117 PolarHBondContact O-N 3.3Å; R115-S117 PolarHBondContact O-N 3.18Å; S117-M120 PolarHBondContact O-N 3.5Å; S117-N121 WeakPolarHBondContact O-CB 3.39Å; S117-N121 VanDerWaalsContact O-CG 3.22Å; S117-N121 PolarHBondContact O-N 2.87Å; S117-N121 PolarHBondContact O-ND2 2.98Å; S117-N121 VanDerWaalsContact O-ND2 3.16Å; S117-Y165 PolarHBondContact O-OH 3.48Å; S117-Y165 VanDerWaalsContact O-OH 3.13Å
118H90.3Very high88.2Confident119 Ų11954.8 Ų54.855%0.55128%0.275SS*.Hα-helixtrans-61.9-47.9176-17862.2000112Q114 R115 I116 M120 N121 E122Q114-H118 PolarHBondContact O-N 3.38Å; R115-H118 PolarHBondContact O-N 3.18Å; I116-H118 VanDerWaalsContact C-N 3.3Å; I116-H118 PolarHBondContact O-N 3.04Å; H118-M120 VanDerWaalsContact C-N 3.33Å; H118-M120 PolarHBondContact O-N 3.45Å; H118-N121 PolarHBondContact O-N 3.19Å; H118-E122 PolarHBondContact O-N 3.04Å; H118-E122 VanDerWaalsContact O-N 3.17Å
119I90.5Very high88.1Confident18 Ų1855.4 Ų55.49%0.09228%0.279CS..Hα-helixtrans-60-44.9177.3-62159.3000110.9E86 K89 I90 R115 I116 N121 E122 L123E86-I119 HydrophobicContact CB-CG2 4.37Å; K89-I119 HydrophobicContact CB-CD1 3.73Å; I90-I119 HydrophobicContact CD1-CG2 4.04Å; I90-I119 HydrophobicContact CG1-CB 4.46Å; I90-I119 HydrophobicContact CG1-CD1 4.43Å; I90-I119 HydrophobicContact CG1-CG2 3.78Å; R115-I119 HydrophobicContact CG-CD1 4.21Å; R115-I119 WeakPolarHBondContact O-CG1 3.34Å; R115-I119 PolarHBondContact O-N 3.19Å; R115-I119 VanDerWaalsContact O-N 3.08Å; I116-I119 PolarHBondContact O-N 3.49Å; I119-N121 PolarHBondContact O-N 3.41Å; I119-E122 PolarHBondContact O-N 3.35Å; I119-L123 WeakPolarHBondContact O-CB 3.4Å; I119-L123 PolarHBondContact O-N 3Å
120M90.8Very high87.9Confident1 Ų161 Ų611%0.00530%0.304CS..Hα-helixtrans-65-39.3179.6-67-73.8-80.900111.7I90 I116 S117 H118 E122 L123 F124 I143 Y165I90-M120 HydrophobicContact CD1-SD 4.11Å; I116-M120 HydrophobicContact CG2-CG 4.01Å; I116-M120 WeakPolarHBondContact O-CB 3.29Å; I116-M120 WeakPolarHBondContact O-CG 3.32Å; I116-M120 PolarHBondContact O-N 3.27Å; S117-M120 PolarHBondContact O-N 3.5Å; H118-M120 VanDerWaalsContact C-N 3.33Å; H118-M120 PolarHBondContact O-N 3.45Å; M120-E122 VanDerWaalsContact C-N 3.33Å; M120-E122 PolarHBondContact O-N 3.29Å; M120-L123 PolarHBondContact O-N 2.88Å; M120-L123 HydrophobicContact SD-CD2 4.39Å; M120-F124 HydrophobicContact CE-CD2 4.4Å; M120-F124 HydrophobicContact CE-CE2 3.59Å; M120-F124 HydrophobicContact CE-CZ 4.49Å; M120-F124 VanDerWaalsContact O-CD2 3.22Å; M120-F124 WeakPolarHBondContact O-CD2 3.39Å; M120-F124 PolarHBondContact O-N 3.48Å; M120-F124 HydrophobicContact SD-CE2 4.05Å; M120-I143 HydrophobicContact CE-CD1 4.24Å; M120-I143 HydrophobicContact CE-CG2 4.11Å; M120-I143 HydrophobicContact SD-CD1 3.76Å; M120-I143 HydrophobicContact SD-CG1 4.33Å; M120-Y165 HydrophobicContact CB-CD1 4.04Å; M120-Y165 HydrophobicContact CB-CD2 4.1Å; M120-Y165 HydrophobicContact CB-CE1 3.55Å; M120-Y165 HydrophobicContact CB-CE2 3.62Å; M120-Y165 HydrophobicContact CB-CG 4.31Å; M120-Y165 HydrophobicContact CE-CD1 4.06Å; M120-Y165 HydrophobicContact CE-CD2 3.82Å; M120-Y165 HydrophobicContact CE-CG 3.57Å; M120-Y165 HydrophobicContact CG-CD2 4.41Å; M120-Y165 HydrophobicContact CG-CE2 4.24Å
121N88.6Confident87.8Confident80 Ų8059.8 Ų59.843%0.42830%0.301SS..Hα-helixtrans-59.9-42.3175.1-77.2-30.1000112.5S117 H118 I119 Q125 Y165S117-N121 WeakPolarHBondContact O-CB 3.39Å; S117-N121 VanDerWaalsContact O-CG 3.22Å; S117-N121 PolarHBondContact O-N 2.87Å; S117-N121 PolarHBondContact O-ND2 2.98Å; S117-N121 VanDerWaalsContact O-ND2 3.16Å; H118-N121 PolarHBondContact O-N 3.19Å; I119-N121 PolarHBondContact O-N 3.41Å; N121-Q125 WeakPolarHBondContact O-CG 3.26Å; N121-Y165 PolarHBondContact N-OH 3.39Å; N121-Y165 PolarHBondContact OD1-OH 3.23Å
122E89Confident87.7Confident89 Ų8957.2 Ų57.242%0.41628%0.284SS..Hα-helixtrans-67.9-44.6175.6-67-55.9123.300111.7H118 I119 M120 F124 Q125 S128H118-E122 PolarHBondContact O-N 3.04Å; H118-E122 VanDerWaalsContact O-N 3.17Å; I119-E122 PolarHBondContact O-N 3.35Å; M120-E122 VanDerWaalsContact C-N 3.33Å; M120-E122 PolarHBondContact O-N 3.29Å; E122-F124 VanDerWaalsContact C-N 3.28Å; E122-F124 PolarHBondContact O-N 3.45Å; E122-Q125 WeakPolarHBondContact O-CB 3.31Å; E122-Q125 WeakPolarHBondContact O-CG 3.36Å; E122-Q125 PolarHBondContact O-N 2.99Å; E122-Q125 VanDerWaalsContact O-N 3.16Å; E122-Q125 PolarHBondContact OE1-NE2 3.45Å; E122-Q125 PolarHBondContact OE2-NE2 3.2Å; E122-S128 WeakPolarHBondContact O-CB 3.36Å
123L89.4Confident87.4Confident2 Ų260.9 Ų60.91%0.0130%0.301CS..Hα-helixtrans-59.1-38.7179.9-177.767.3000112.6I119 M120 Q125 S128 I129 H132 I139 F140 I143I119-L123 WeakPolarHBondContact O-CB 3.4Å; I119-L123 PolarHBondContact O-N 3Å; M120-L123 PolarHBondContact O-N 2.88Å; M120-L123 HydrophobicContact SD-CD2 4.39Å; L123-Q125 VanDerWaalsContact C-N 3.32Å; L123-Q125 PolarHBondContact O-N 3.29Å; L123-S128 WeakPolarHBondContact O-CB 3.43Å; L123-S128 PolarHBondContact O-OG 3.34Å; L123-I129 WeakPolarHBondContact O-CG1 3.45Å; L123-H132 WeakPolarHBondContact CD1-CD2 3.37Å; L123-H132 WeakPolarHBondContact CD1-NE2 3.32Å; L123-I139 HydrophobicContact CD1-CG1 3.92Å; L123-I139 HydrophobicContact CD1-CG2 4.22Å; L123-I139 HydrophobicContact CD2-CD1 4.49Å; L123-I139 HydrophobicContact CD2-CG1 3.73Å; L123-F140 HydrophobicContact CD1-CE1 4.41Å; L123-F140 HydrophobicContact CD2-CD1 4.41Å; L123-F140 HydrophobicContact CD2-CE1 4.05Å; L123-F140 HydrophobicContact CG-CE1 4.04Å; L123-I143 HydrophobicContact CD2-CD1 3.34Å
124F88.6Confident87Confident7 Ų763.6 Ų63.63%0.03132%0.321CS..THydrogen-bonded Turntrans-91.113.7-178.2-73.6-72.4000114.1M120 E122 I129 F140 Y165 Y169 F172 I173M120-F124 HydrophobicContact CE-CD2 4.4Å; M120-F124 HydrophobicContact CE-CE2 3.59Å; M120-F124 HydrophobicContact CE-CZ 4.49Å; M120-F124 VanDerWaalsContact O-CD2 3.22Å; M120-F124 WeakPolarHBondContact O-CD2 3.39Å; M120-F124 PolarHBondContact O-N 3.48Å; M120-F124 HydrophobicContact SD-CE2 4.05Å; E122-F124 VanDerWaalsContact C-N 3.28Å; E122-F124 PolarHBondContact O-N 3.45Å; F124-I129 HydrophobicContact CD1-CD1 4.3Å; F124-I129 WeakPolarHBondContact O-CD1 3.33Å; F124-F140 HydrophobicContact CD1-CE1 4.32Å; F124-F140 HydrophobicContact CE1-CD1 4.06Å; F124-F140 AromaticContact CE1-CE1 3.64Å; F124-F140 HydrophobicContact CE1-CE1 3.64Å; F124-F140 AromaticContact CZ-CD1 3.99Å; F124-F140 HydrophobicContact CZ-CD1 3.99Å; F124-F140 AromaticContact CZ-CE1 3.88Å; F124-F140 HydrophobicContact CZ-CE1 3.88Å; F124-Y165 AromaticContact CD2-CD1 3.47Å; F124-Y165 HydrophobicContact CD2-CD1 3.47Å; F124-Y165 VanDerWaalsContact CD2-CD1 3.47Å; F124-Y165 AromaticContact CD2-CE1 3.9Å; F124-Y165 HydrophobicContact CD2-CE1 3.9Å; F124-Y165 HydrophobicContact CD2-CG 4.43Å; F124-Y165 AromaticContact CE2-CD1 3.82Å; F124-Y165 HydrophobicContact CE2-CD1 3.82Å; F124-Y165 HydrophobicContact CE2-CG 4.39Å; F124-Y165 HydrophobicContact CG-CD1 4.29Å; F124-Y169 HydrophobicContact CB-CD1 4.44Å; F124-Y169 HydrophobicContact CB-CD2 4.09Å; F124-Y169 HydrophobicContact CB-CE1 3.98Å; F124-Y169 HydrophobicContact CB-CE2 3.59Å; F124-Y169 HydrophobicContact CB-CG 4.49Å; F124-Y169 AromaticContact CD1-CD1 3.57Å; F124-Y169 HydrophobicContact CD1-CD1 3.57Å; F124-Y169 AromaticContact CD1-CD2 3.5Å; F124-Y169 HydrophobicContact CD1-CD2 3.5Å; F124-Y169 VanDerWaalsContact CD1-CD2 3.5Å; F124-Y169 AromaticContact CD1-CE1 3.97Å; F124-Y169 HydrophobicContact CD1-CE1 3.97Å; F124-Y169 AromaticContact CD1-CE2 3.92Å; F124-Y169 HydrophobicContact CD1-CE2 3.92Å; F124-Y169 AromaticContact CD1-CG 3.31Å; F124-Y169 HydrophobicContact CD1-CG 3.31Å; F124-Y169 HydrophobicContact CD2-CD2 4.03Å; F124-Y169 HydrophobicContact CD2-CE2 4.18Å; F124-Y169 VanDerWaalsContact CE1-CB 3.45Å; F124-Y169 HydrophobicContact CE1-CD1 4.18Å; F124-Y169 AromaticContact CE1-CD2 3.9Å; F124-Y169 HydrophobicContact CE1-CD2 3.9Å; F124-Y169 AromaticContact CE1-CG 3.59Å; F124-Y169 HydrophobicContact CE1-CG 3.59Å; F124-Y169 HydrophobicContact CE2-CD2 4.4Å; F124-Y169 HydrophobicContact CG-CD1 4.24Å; F124-Y169 AromaticContact CG-CD2 3.58Å; F124-Y169 HydrophobicContact CG-CD2 3.58Å; F124-Y169 HydrophobicContact CG-CE1 4.26Å; F124-Y169 AromaticContact CG-CE2 3.62Å; F124-Y169 HydrophobicContact CG-CE2 3.62Å; F124-Y169 AromaticContact CG-CG 3.91Å; F124-Y169 HydrophobicContact CG-CG 3.91Å; F124-Y169 AromaticContact CG-CZ 3.97Å; F124-Y169 HydrophobicContact CZ-CD2 4.35Å; F124-Y169 HydrophobicContact CZ-CG 4.39Å; F124-F172 HydrophobicContact CD1-CD2 4.14Å; F124-F172 HydrophobicContact CE1-CB 4.04Å; F124-F172 AromaticContact CE1-CD2 3.9Å; F124-F172 HydrophobicContact CE1-CD2 3.9Å; F124-F172 HydrophobicContact CE1-CG 4.37Å; F124-I173 HydrophobicContact CE1-CD1 4.46Å; F124-I173 HydrophobicContact CE1-CG1 4.44Å; F124-I173 HydrophobicContact CE2-CD1 4.24Å; F124-I173 HydrophobicContact CZ-CD1 3.66Å; F124-I173 HydrophobicContact CZ-CG1 3.78Å
125Q84.9Confident86.7Confident80 Ų8064 Ų6437%0.37432%0.323SS..SBendtrans-69.4143.3164.3-66.6-176.413.600110.3N121 E122 L123 K127 S128 I129N121-Q125 WeakPolarHBondContact O-CG 3.26Å; E122-Q125 WeakPolarHBondContact O-CB 3.31Å; E122-Q125 WeakPolarHBondContact O-CG 3.36Å; E122-Q125 PolarHBondContact O-N 2.99Å; E122-Q125 VanDerWaalsContact O-N 3.16Å; E122-Q125 PolarHBondContact OE1-NE2 3.45Å; E122-Q125 PolarHBondContact OE2-NE2 3.2Å; L123-Q125 VanDerWaalsContact C-N 3.32Å; L123-Q125 PolarHBondContact O-N 3.29Å; Q125-K127 PolarHBondContact O-N 2.95Å; Q125-K127 VanDerWaalsContact O-N 3.1Å; Q125-S128 PolarHBondContact O-N 3.08Å; Q125-I129 WeakPolarHBondContact O-CG1 3.4Å; Q125-I129 PolarHBondContact O-N 3.06Å
126P80.6Confident86.1Confident98 Ų9865.5 Ų65.564%0.63635%0.345SS*.Hα-helixtrans-53-37.7-179.5-28.834.9000114.5Q130P126-Q130 VanDerWaalsContact O-CG 3.28Å; P126-Q130 WeakPolarHBondContact O-CG 3.43Å; P126-Q130 PolarHBondContact O-N 2.87Å; P126-Q130 VanDerWaalsContact O-N 3.12Å
127K85Confident85.6Confident168 Ų16867.4 Ų67.473%0.7336%0.358SS*.Hα-helixtrans-68.7-42.2177.8-68.1-178.4179.4178.10112.4Q125 Q130 L131Q125-K127 PolarHBondContact O-N 2.95Å; Q125-K127 VanDerWaalsContact O-N 3.1Å; K127-Q130 PolarHBondContact O-N 3.48Å; K127-L131 WeakPolarHBondContact O-CB 3.41Å; K127-L131 PolarHBondContact O-N 2.95Å
128S85Confident85.2Confident28 Ų2869.8 Ų69.820%0.19637%0.369CS..Hα-helixtrans-67-45.2179.3-179.40000110.8E122 L123 Q125 Q130 L131 H132E122-S128 WeakPolarHBondContact O-CB 3.36Å; L123-S128 WeakPolarHBondContact O-CB 3.43Å; L123-S128 PolarHBondContact O-OG 3.34Å; Q125-S128 PolarHBondContact O-N 3.08Å; S128-Q130 PolarHBondContact O-N 3.29Å; S128-L131 WeakPolarHBondContact O-CB 3.27Å; S128-L131 PolarHBondContact O-N 2.82Å; S128-L131 VanDerWaalsContact O-N 3.14Å; S128-H132 PolarHBondContact O-CD2 3.08Å; S128-H132 PolarHBondContact O-N 3.33Å; S128-H132 PolarHBondContact OG-CD2 3.36Å; S128-H132 VanDerWaalsContact OG-CD2 3.31Å; S128-H132 PolarHBondContact OG-NE2 3.2Å
129I85Confident85Confident16 Ų1664.2 Ų64.28%0.08234%0.343CS..Hα-helixtrans-53.6-53.2173.8-68.6163.5000110.9L123 F124 Q125 L131 H132 E133 F140 F172L123-I129 WeakPolarHBondContact O-CG1 3.45Å; F124-I129 HydrophobicContact CD1-CD1 4.3Å; F124-I129 WeakPolarHBondContact O-CD1 3.33Å; Q125-I129 WeakPolarHBondContact O-CG1 3.4Å; Q125-I129 PolarHBondContact O-N 3.06Å; I129-L131 VanDerWaalsContact C-N 3.26Å; I129-L131 PolarHBondContact O-N 3.18Å; I129-H132 PolarHBondContact O-N 3.17Å; I129-E133 HydrophobicContact CG2-CG 4.35Å; I129-E133 WeakPolarHBondContact O-CB 3.32Å; I129-E133 WeakPolarHBondContact O-CG 3.47Å; I129-E133 PolarHBondContact O-N 3.13Å; I129-F140 HydrophobicContact CG1-CZ 4.35Å; I129-F172 HydrophobicContact CB-CZ 4.41Å; I129-F172 HydrophobicContact CD1-CD2 4.3Å; I129-F172 HydrophobicContact CD1-CE2 3.55Å; I129-F172 HydrophobicContact CD1-CZ 4.11Å; I129-F172 HydrophobicContact CG1-CE2 4.08Å; I129-F172 HydrophobicContact CG1-CZ 4.39Å; I129-F172 HydrophobicContact CG2-CD1 4.43Å; I129-F172 HydrophobicContact CG2-CE1 3.58Å; I129-F172 HydrophobicContact CG2-CE2 3.79Å; I129-F172 HydrophobicContact CG2-CZ 3.22Å
130Q84.4Confident84.9Confident134 Ų13463.7 Ų63.763%0.62634%0.34SS*.Hα-helixtrans-57.9-40.6179.7-75.9174.8-3.400112.1P126 K127 S128 S134P126-Q130 VanDerWaalsContact O-CG 3.28Å; P126-Q130 WeakPolarHBondContact O-CG 3.43Å; P126-Q130 PolarHBondContact O-N 2.87Å; P126-Q130 VanDerWaalsContact O-N 3.12Å; K127-Q130 PolarHBondContact O-N 3.48Å; S128-Q130 PolarHBondContact O-N 3.29Å; Q130-S134 WeakPolarHBondContact O-CB 3.45Å; Q130-S134 PolarHBondContact O-N 2.94Å; Q130-S134 PolarHBondContact O-OG 3.37Å
131L85Confident84.7Confident92 Ų9265.2 Ų65.248%0.48235%0.351SS..Hα-helixtrans-63.3-52.2177.4-170.7141.7000110.8K127 S128 I129 E133 S134 H135K127-L131 WeakPolarHBondContact O-CB 3.41Å; K127-L131 PolarHBondContact O-N 2.95Å; S128-L131 WeakPolarHBondContact O-CB 3.27Å; S128-L131 PolarHBondContact O-N 2.82Å; S128-L131 VanDerWaalsContact O-N 3.14Å; I129-L131 VanDerWaalsContact C-N 3.26Å; I129-L131 PolarHBondContact O-N 3.18Å; L131-E133 VanDerWaalsContact C-N 3.35Å; L131-E133 PolarHBondContact O-N 3.42Å; L131-S134 PolarHBondContact O-N 3.49Å; L131-S134 PolarHBondContact O-OG 3.47Å; L131-H135 PolarHBondContact O-CD2 3.41Å; L131-H135 PolarHBondContact O-N 2.95Å
132H85.6Confident84.6Confident9 Ų962.3 Ų62.34%0.04234%0.336CS..Hα-helixtrans-64.1-35.9178.8-72.7-66.6000113.5C84 E86 L123 S128 I129 S136 C137 I139 F140C84-H132 PolarHBondContact SG-CE1 2.89Å; E86-H132 IonicContact OE2-CE1 2.71Å; L123-H132 WeakPolarHBondContact CD1-CD2 3.37Å; L123-H132 WeakPolarHBondContact CD1-NE2 3.32Å; S128-H132 PolarHBondContact O-CD2 3.08Å; S128-H132 PolarHBondContact O-N 3.33Å; S128-H132 PolarHBondContact OG-CD2 3.36Å; S128-H132 VanDerWaalsContact OG-CD2 3.31Å; S128-H132 PolarHBondContact OG-NE2 3.2Å; I129-H132 PolarHBondContact O-N 3.17Å; H132-S136 PolarHBondContact O-N 3.07Å; H132-S136 VanDerWaalsContact O-N 3.14Å; H132-C137 HydrophobicContact CB-CB 4.21Å; H132-C137 PolarHBondContact O-N 3.4Å; H132-I139 HydrophobicContact CB-CG2 4.17Å; H132-F140 HydrophobicContact CB-CE2 4.32Å
133E83.4Confident84.6Confident81 Ų8158.1 Ų58.138%0.37932%0.316SS..Hα-helixtrans-65.8-45.2173.6-73.1-165.5130.500111.7I129 L131 H135 S136 F172 R175I129-E133 HydrophobicContact CG2-CG 4.35Å; I129-E133 WeakPolarHBondContact O-CB 3.32Å; I129-E133 WeakPolarHBondContact O-CG 3.47Å; I129-E133 PolarHBondContact O-N 3.13Å; L131-E133 VanDerWaalsContact C-N 3.35Å; L131-E133 PolarHBondContact O-N 3.42Å; E133-H135 VanDerWaalsContact C-N 3.29Å; E133-H135 PolarHBondContact O-N 3.39Å; E133-S136 PolarHBondContact O-N 2.91Å; E133-S136 VanDerWaalsContact O-N 3.07Å; E133-F172 WeakPolarHBondContact OE1-CE1 3.34Å; E133-R175 IonicContact OE1-CZ 3.47Å; E133-R175 IonicContact OE1-NH1 3.59Å; E133-R175 IonicContact OE1-NH2 3.56Å; E133-R175 PolarHBondContact OE1-NH2 2.94Å
134S81.9Confident84.7Confident87 Ų8758 Ų5861%0.60832%0.316SS*.Hα-helixtrans-63.3-33.8177.569.60000113.3Q130 L131 S136Q130-S134 WeakPolarHBondContact O-CB 3.45Å; Q130-S134 PolarHBondContact O-N 2.94Å; Q130-S134 PolarHBondContact O-OG 3.37Å; L131-S134 PolarHBondContact O-N 3.49Å; L131-S134 PolarHBondContact O-OG 3.47Å; S134-S136 VanDerWaalsContact C-N 3.29Å
135H82Confident84.7Confident126 Ų12659.3 Ų59.358%0.58332%0.321SS*.THydrogen-bonded Turntrans-83.1-3.6175.9-71.7-60.8000113.7L131 E133 C137L131-H135 PolarHBondContact O-CD2 3.41Å; L131-H135 PolarHBondContact O-N 2.95Å; E133-H135 VanDerWaalsContact C-N 3.29Å; E133-H135 PolarHBondContact O-N 3.39Å; H135-C137 PolarHBondContact O-N 2.85Å
136S76.5Confident84.8Confident107 Ų10756.8 Ų56.875%0.74831%0.309SS*.THydrogen-bonded Turntrans53.438.4-174.8-57.40000112.9H132 E133 S134H132-S136 PolarHBondContact O-N 3.07Å; H132-S136 VanDerWaalsContact O-N 3.14Å; E133-S136 PolarHBondContact O-N 2.91Å; E133-S136 VanDerWaalsContact O-N 3.07Å; S134-S136 VanDerWaalsContact C-N 3.29Å
137C80.3Confident85.2Confident41 Ų4152.1 Ų52.128%0.27728%0.279SS..  trans-65.3143.7176.8-62.20000111C84 H132 H135 I139C84-C137 HydrophobicContact CB-CB 4.42Å; H132-C137 HydrophobicContact CB-CB 4.21Å; H132-C137 PolarHBondContact O-N 3.4Å; H135-C137 PolarHBondContact O-N 2.85Å; C137-I139 VanDerWaalsContact C-N 3.27Å; C137-I139 HydrophobicContact CB-CG2 4.07Å; C137-I139 PolarHBondContact O-N 2.67Å
138D81.8Confident85.2Confident83 Ų8344.4 Ų44.444%0.44425%0.247SC..  trans-85.85.5177.269.9-24.3000113.7F140 S141 V142D138-F140 VanDerWaalsContact C-N 3.28Å; D138-F140 PolarHBondContact O-N 3.35Å; D138-F140 VanDerWaalsContact O-N 3.12Å; D138-S141 CarbonylContact O-C 3.49Å; D138-S141 WeakPolarHBondContact O-CA 3.3Å; D138-S141 VanDerWaalsContact O-CB 3.31Å; D138-S141 WeakPolarHBondContact O-CB 3.28Å; D138-S141 PolarHBondContact O-N 3.02Å; D138-V142 PolarHBondContact O-N 3.44Å
139I87.2Confident85.2Confident1 Ų146.7 Ų46.71%0.00525%0.253CS..Hα-helixtrans-47.2-45.6-174.7-177.664.4000113.3E86 T87 I90 L123 H132 C137 V142 I143E86-I139 HydrophobicContact CB-CD1 4.29Å; T87-I139 WeakPolarHBondContact OG1-CD1 3.49Å; I90-I139 HydrophobicContact CD1-CD1 4.11Å; L123-I139 HydrophobicContact CD1-CG1 3.92Å; L123-I139 HydrophobicContact CD1-CG2 4.22Å; L123-I139 HydrophobicContact CD2-CD1 4.49Å; L123-I139 HydrophobicContact CD2-CG1 3.73Å; H132-I139 HydrophobicContact CB-CG2 4.17Å; C137-I139 VanDerWaalsContact C-N 3.27Å; C137-I139 HydrophobicContact CB-CG2 4.07Å; C137-I139 PolarHBondContact O-N 2.67Å; I139-V142 PolarHBondContact O-N 3.35Å; I139-I143 HydrophobicContact CG1-CD1 4.19Å; I139-I143 WeakPolarHBondContact O-CG1 3.29Å; I139-I143 PolarHBondContact O-N 3.08Å
140F87.9Confident85Confident8 Ų846 Ų464%0.03525%0.25CC..Hα-helixtrans-69.3-35.8-179.5-57.6-61.1000112.9L123 F124 I129 H132 D138 V142 I143 L144 F172L123-F140 HydrophobicContact CD1-CE1 4.41Å; L123-F140 HydrophobicContact CD2-CD1 4.41Å; L123-F140 HydrophobicContact CD2-CE1 4.05Å; L123-F140 HydrophobicContact CG-CE1 4.04Å; F124-F140 HydrophobicContact CD1-CE1 4.32Å; F124-F140 HydrophobicContact CE1-CD1 4.06Å; F124-F140 AromaticContact CE1-CE1 3.64Å; F124-F140 HydrophobicContact CE1-CE1 3.64Å; F124-F140 AromaticContact CZ-CD1 3.99Å; F124-F140 HydrophobicContact CZ-CD1 3.99Å; F124-F140 AromaticContact CZ-CE1 3.88Å; F124-F140 HydrophobicContact CZ-CE1 3.88Å; I129-F140 HydrophobicContact CG1-CZ 4.35Å; H132-F140 HydrophobicContact CB-CE2 4.32Å; D138-F140 VanDerWaalsContact C-N 3.28Å; D138-F140 PolarHBondContact O-N 3.35Å; D138-F140 VanDerWaalsContact O-N 3.12Å; F140-V142 VanDerWaalsContact C-N 3.34Å; F140-I143 HydrophobicContact CD1-CD1 4.44Å; F140-I143 PolarHBondContact O-N 3.11Å; F140-L144 PolarHBondContact O-N 3.49Å; F140-L144 VanDerWaalsContact O-N 3.15Å; F140-F172 HydrophobicContact CB-CB 4.46Å; F140-F172 WeakPolarHBondContact CB-O 3.33Å; F140-F172 HydrophobicContact CD1-CB 3.81Å; F140-F172 HydrophobicContact CD2-CB 4.34Å; F140-F172 HydrophobicContact CE1-CB 4.06Å; F140-F172 HydrophobicContact CE1-CG 4.37Å; F140-F172 HydrophobicContact CE2-CD1 4.28Å; F140-F172 HydrophobicContact CG-CB 3.95Å; F140-F172 HydrophobicContact CZ-CB 4.44Å; F140-F172 HydrophobicContact CZ-CD1 4.47Å; F140-F172 HydrophobicContact CZ-CG 4.36Å
141S86.4Confident84.8Confident33 Ų3341.6 Ų41.623%0.23123%0.233CC..Hα-helixtrans-66.7-38.2173-58.30000111.1D138 L144 K145D138-S141 CarbonylContact O-C 3.49Å; D138-S141 WeakPolarHBondContact O-CA 3.3Å; D138-S141 VanDerWaalsContact O-CB 3.31Å; D138-S141 WeakPolarHBondContact O-CB 3.28Å; D138-S141 PolarHBondContact O-N 3.02Å; S141-L144 PolarHBondContact O-N 2.81Å; S141-K145 WeakPolarHBondContact O-CG 3.49Å; S141-K145 PolarHBondContact O-N 2.91Å; S141-K145 VanDerWaalsContact O-N 3.11Å
142V86.7Confident84.2Confident19 Ų1943.5 Ų43.512%0.11524%0.24CC..Hα-helixtrans-64.4-44.5174.8178.20000110.7T87 L91 D138 I139 F140 L144 K145 E146T87-V142 HydrophobicContact CG2-CB 4.15Å; T87-V142 HydrophobicContact CG2-CG1 3.75Å; T87-V142 HydrophobicContact CG2-CG2 4.02Å; L91-V142 HydrophobicContact CD2-CG1 4.42Å; D138-V142 PolarHBondContact O-N 3.44Å; I139-V142 PolarHBondContact O-N 3.35Å; F140-V142 VanDerWaalsContact C-N 3.34Å; V142-L144 VanDerWaalsContact C-N 3.28Å; V142-L144 PolarHBondContact O-N 3.21Å; V142-K145 WeakPolarHBondContact O-CB 3.34Å; V142-K145 PolarHBondContact O-N 3.35Å; V142-K145 VanDerWaalsContact O-N 3.08Å; V142-E146 HydrophobicContact CG1-CG 4.06Å; V142-E146 WeakPolarHBondContact O-CG 3.33Å; V142-E146 PolarHBondContact O-N 3.44Å
143I90Very high83.4Confident1 Ų149.8 Ų49.81%0.00526%0.263CS..Hα-helixtrans-54.9-45.2175.7-72.6166.1000111.1I90 M120 L123 I139 F140 K145 F147 F162 I173I90-I143 HydrophobicContact CD1-CD1 4.28Å; I90-I143 HydrophobicContact CD1-CG1 4.2Å; M120-I143 HydrophobicContact CE-CD1 4.24Å; M120-I143 HydrophobicContact CE-CG2 4.11Å; M120-I143 HydrophobicContact SD-CD1 3.76Å; M120-I143 HydrophobicContact SD-CG1 4.33Å; L123-I143 HydrophobicContact CD2-CD1 3.34Å; I139-I143 HydrophobicContact CG1-CD1 4.19Å; I139-I143 WeakPolarHBondContact O-CG1 3.29Å; I139-I143 PolarHBondContact O-N 3.08Å; F140-I143 HydrophobicContact CD1-CD1 4.44Å; F140-I143 PolarHBondContact O-N 3.11Å; I143-K145 PolarHBondContact O-N 3.24Å; I143-F147 VanDerWaalsContact O-CB 3.23Å; I143-F147 WeakPolarHBondContact O-CB 3.19Å; I143-F147 PolarHBondContact O-N 3.46Å; I143-F162 HydrophobicContact CB-CE1 4.44Å; I143-F162 HydrophobicContact CG2-CD1 3.89Å; I143-F162 HydrophobicContact CG2-CE1 3.74Å; I143-I173 HydrophobicContact CG2-CD1 4.18Å; I143-I173 HydrophobicContact CG2-CG1 4.03Å; I143-I173 HydrophobicContact CG2-CG2 4.16Å
144L90.4Very high82.6Confident0 Ų054 Ų540%028%0.283CS..Hα-helixtrans-62.6-42177.2-175.663.7000112.6F140 S141 V142 F147 A148 I173 L174 R175 L186 L189 W214F140-L144 PolarHBondContact O-N 3.49Å; F140-L144 VanDerWaalsContact O-N 3.15Å; S141-L144 PolarHBondContact O-N 2.81Å; V142-L144 VanDerWaalsContact C-N 3.28Å; V142-L144 PolarHBondContact O-N 3.21Å; L144-F147 WeakPolarHBondContact O-CB 3.23Å; L144-F147 PolarHBondContact O-N 2.76Å; L144-A148 PolarHBondContact O-N 3.5Å; L144-I173 HydrophobicContact CB-CG2 4.33Å; L144-I173 WeakPolarHBondContact CB-O 3.49Å; L144-I173 HydrophobicContact CD1-CG2 4.11Å; L144-I173 WeakPolarHBondContact CD2-O 3.27Å; L144-L174 HydrophobicContact CD1-CD2 4.02Å; L144-R175 WeakPolarHBondContact CD2-O 3.33Å; L144-L186 HydrophobicContact CD2-CD2 4.39Å; L144-L186 HydrophobicContact CG-CD2 3.96Å; L144-L189 HydrophobicContact CD1-CD2 3.68Å; L144-W214 HydrophobicContact CD2-CH2 4.45Å; L144-W214 HydrophobicContact CD2-CZ2 3.95Å
145K88.8Confident82Confident34 Ų3450 Ų5015%0.14825%0.254CS..Hα-helixtrans-63.6-48.7178.4-71.6175.4176.1-163.40112.2S141 V142 I143 F147 A148 K149 S179 D180 L186S141-K145 WeakPolarHBondContact O-CG 3.49Å; S141-K145 PolarHBondContact O-N 2.91Å; S141-K145 VanDerWaalsContact O-N 3.11Å; V142-K145 WeakPolarHBondContact O-CB 3.34Å; V142-K145 PolarHBondContact O-N 3.35Å; V142-K145 VanDerWaalsContact O-N 3.08Å; I143-K145 PolarHBondContact O-N 3.24Å; K145-F147 VanDerWaalsContact C-N 3.25Å; K145-F147 PolarHBondContact O-N 2.71Å; K145-A148 PolarHBondContact O-N 2.86Å; K145-K149 PolarHBondContact O-N 2.88Å; K145-S179 PolarHBondContact NZ-O 3.38Å; K145-S179 PolarHBondContact NZ-OG 3.45Å; K145-D180 WeakPolarHBondContact CD-OD2 3.38Å; K145-D180 WeakPolarHBondContact CG-OD2 3.41Å; K145-L186 HydrophobicContact CG-CD1 4.49Å
146E86.9Confident81.8Confident26 Ų2646.3 Ų46.312%0.12125%0.251CS..Hα-helixtrans-64.6-35.4176.9-65.3-45.9124.800111.3L91 L94 V142 A148 K149 V150L91-E146 VanDerWaalsContact CD2-CD 3.48Å; L91-E146 HydrophobicContact CD2-CG 3.62Å; L94-E146 HydrophobicContact CD1-CB 3.61Å; L94-E146 HydrophobicContact CD1-CG 3.82Å; V142-E146 HydrophobicContact CG1-CG 4.06Å; V142-E146 WeakPolarHBondContact O-CG 3.33Å; V142-E146 PolarHBondContact O-N 3.44Å; E146-A148 PolarHBondContact O-N 2.88Å; E146-K149 PolarHBondContact O-N 3.31Å; E146-K149 IonicContact OE1-NZ 3.52Å; E146-K149 PolarHBondContact OE1-NZ 3.42Å; E146-K149 WeakPolarHBondContact OE2-CD 3.5Å; E146-K149 IonicContact OE2-NZ 2.86Å; E146-V150 WeakPolarHBondContact O-CG2 3.26Å; E146-V150 PolarHBondContact O-N 2.93Å
147F88.6Confident82Confident0 Ų044.7 Ų44.70%024%0.239CC..Hα-helixtrans-61.9-42.7174.3-171.9-160.4000112.8I143 L144 K145 K149 V150 S151 N159 F162 S163 T166 L189 Y193I143-F147 VanDerWaalsContact O-CB 3.23Å; I143-F147 WeakPolarHBondContact O-CB 3.19Å; I143-F147 PolarHBondContact O-N 3.46Å; L144-F147 WeakPolarHBondContact O-CB 3.23Å; L144-F147 PolarHBondContact O-N 2.76Å; K145-F147 VanDerWaalsContact C-N 3.25Å; K145-F147 PolarHBondContact O-N 2.71Å; F147-K149 VanDerWaalsContact C-N 3.28Å; F147-K149 PolarHBondContact O-N 3.39Å; F147-V150 PolarHBondContact O-N 3.25Å; F147-S151 WeakPolarHBondContact O-CB 3.17Å; F147-S151 PolarHBondContact O-N 3.01Å; F147-S151 PolarHBondContact O-OG 3.21Å; F147-N159 VanDerWaalsContact CE2-OD1 3.28Å; F147-N159 WeakPolarHBondContact CE2-OD1 3.44Å; F147-F162 HydrophobicContact CB-CB 4.28Å; F147-F162 HydrophobicContact CB-CD1 3.63Å; F147-F162 HydrophobicContact CB-CE1 4.26Å; F147-F162 HydrophobicContact CB-CG 4.19Å; F147-F162 HydrophobicContact CD1-CB 4.14Å; F147-F162 HydrophobicContact CD2-CB 3.29Å; F147-F162 HydrophobicContact CD2-CD1 4.23Å; F147-F162 AromaticContact CD2-CG 3.91Å; F147-F162 HydrophobicContact CD2-CG 3.91Å; F147-F162 HydrophobicContact CE1-CB 4.29Å; F147-F162 HydrophobicContact CE2-CB 3.46Å; F147-F162 VanDerWaalsContact CE2-CB 3.46Å; F147-F162 HydrophobicContact CG-CB 3.66Å; F147-F162 AromaticContact CG-CD1 3.96Å; F147-F162 HydrophobicContact CG-CD1 3.96Å; F147-F162 HydrophobicContact CG-CG 4.1Å; F147-F162 HydrophobicContact CZ-CB 3.97Å; F147-S163 WeakPolarHBondContact CZ-OG 3.4Å; F147-T166 WeakPolarHBondContact CD1-OG1 3.43Å; F147-T166 HydrophobicContact CE1-CG2 4.22Å; F147-T166 VanDerWaalsContact CE1-OG1 3.29Å; F147-T166 WeakPolarHBondContact CE1-OG1 3.16Å; F147-L189 HydrophobicContact CD1-CD1 3.87Å; F147-L189 HydrophobicContact CD1-CD2 3.84Å; F147-L189 HydrophobicContact CD1-CG 4.42Å; F147-L189 HydrophobicContact CD2-CD1 4.43Å; F147-L189 HydrophobicContact CE1-CD1 4.12Å; F147-L189 HydrophobicContact CE1-CD2 3.99Å; F147-L189 HydrophobicContact CE1-CG 4.42Å; F147-L189 HydrophobicContact CG-CD1 4.04Å; F147-Y193 HydrophobicContact CE1-CD2 4.37Å; F147-Y193 HydrophobicContact CE1-CE1 4.31Å; F147-Y193 AromaticContact CE1-CE2 3.69Å; F147-Y193 HydrophobicContact CE1-CE2 3.69Å; F147-Y193 AromaticContact CE1-CZ 3.68Å; F147-Y193 HydrophobicContact CZ-CE1 4.39Å; F147-Y193 AromaticContact CZ-CE2 3.8Å; F147-Y193 HydrophobicContact CZ-CE2 3.8Å; F147-Y193 AromaticContact CZ-CZ 3.54Å; F147-Y193 WeakPolarHBondContact CZ-OH 3.38Å
148A86.4Confident82.2Confident7 Ų742.8 Ų42.86%0.05823%0.226CC..Hα-helixtrans-61.2-36.6175.200000112.4L144 K145 E146 S151 H152 L186 L189L144-A148 PolarHBondContact O-N 3.5Å; K145-A148 PolarHBondContact O-N 2.86Å; E146-A148 PolarHBondContact O-N 2.88Å; A148-S151 WeakPolarHBondContact CA-OG 3.41Å; A148-S151 PolarHBondContact O-OG 3.16Å; A148-H152 PolarHBondContact O-N 3.42Å; A148-L186 HydrophobicContact CB-CD2 3.54Å; A148-L186 HydrophobicContact CB-CG 4.18Å; A148-L189 HydrophobicContact CB-CD1 4.24Å
149K83.6Confident82.4Confident76 Ų7640.8 Ų40.833%0.3322%0.215SC..Hα-helixtrans-68.9-47.8175.1-65.2173.2-173.2167.30112.2K145 E146 F147 H152 R153K145-K149 PolarHBondContact O-N 2.88Å; E146-K149 PolarHBondContact O-N 3.31Å; E146-K149 IonicContact OE1-NZ 3.52Å; E146-K149 PolarHBondContact OE1-NZ 3.42Å; E146-K149 WeakPolarHBondContact OE2-CD 3.5Å; E146-K149 IonicContact OE2-NZ 2.86Å; F147-K149 VanDerWaalsContact C-N 3.28Å; F147-K149 PolarHBondContact O-N 3.39Å; K149-H152 PolarHBondContact O-N 3.15Å; K149-R153 WeakPolarHBondContact O-CG 3.38Å; K149-R153 PolarHBondContact O-N 2.77Å
150V82.3Confident82.4Confident2 Ų247.1 Ų47.11%0.01224%0.242CC..Hα-helixtrans-64.7-41.6-179172.20000111.4L94 E146 F147 H152 R153 E154 N155 V158 N159L94-V150 HydrophobicContact CD2-CG2 3.94Å; E146-V150 WeakPolarHBondContact O-CG2 3.26Å; E146-V150 PolarHBondContact O-N 2.93Å; F147-V150 PolarHBondContact O-N 3.25Å; V150-H152 VanDerWaalsContact C-N 3.28Å; V150-H152 PolarHBondContact O-N 2.91Å; V150-R153 PolarHBondContact O-N 3.41Å; V150-R153 VanDerWaalsContact O-N 3.09Å; V150-E154 PolarHBondContact O-N 3.42Å; V150-N155 HydrophobicContact CG1-CB 4.28Å; V150-V158 HydrophobicContact CG1-CB 3.86Å; V150-V158 HydrophobicContact CG1-CG1 3.78Å; V150-V158 HydrophobicContact CG2-CG1 4.19Å; V150-N159 HydrophobicContact CG1-CB 4.16Å
151S79.8Confident82.4Confident40 Ų4047.3 Ų47.328%0.2824%0.244SC..Hα-helixtrans-63.6-33.2178.755.70000112.7F147 A148F147-S151 WeakPolarHBondContact O-CB 3.17Å; F147-S151 PolarHBondContact O-N 3.01Å; F147-S151 PolarHBondContact O-OG 3.21Å; A148-S151 WeakPolarHBondContact CA-OG 3.41Å; A148-S151 PolarHBondContact O-OG 3.16Å
152H72.5Confident82.7Confident132 Ų13245.8 Ų45.861%0.61123%0.233SC*.Hα-helixtrans-70.2-31.8171.8-178.2-65.4000113A148 K149 V150 E154 H185A148-H152 PolarHBondContact O-N 3.42Å; K149-H152 PolarHBondContact O-N 3.15Å; V150-H152 VanDerWaalsContact C-N 3.28Å; V150-H152 PolarHBondContact O-N 2.91Å; H152-E154 VanDerWaalsContact C-N 3.29Å; H152-E154 PolarHBondContact O-N 3.41Å; H152-H185 AromaticContact CD2-NE2 3.72Å
153R68.6Low82.8Confident142 Ų14245.8 Ų45.854%0.53623%0.234SC..THydrogen-bonded Turntrans-81.7-2.7-178.3-70.1178.9-178.9-176.2-2.1114.3D98 K149 V150 N155D98-R153 IonicContact OD2-CZ 3.78Å; D98-R153 IonicContact OD2-NH1 2.6Å; D98-R153 PolarHBondContact OD2-NH1 2.88Å; K149-R153 WeakPolarHBondContact O-CG 3.38Å; K149-R153 PolarHBondContact O-N 2.77Å; V150-R153 PolarHBondContact O-N 3.41Å; V150-R153 VanDerWaalsContact O-N 3.09Å; R153-N155 PolarHBondContact O-N 3.5Å; R153-N155 VanDerWaalsContact O-N 3.15Å
154E66.4Low82.7Confident168 Ų16848.7 Ų48.779%0.78525%0.248SC*.THydrogen-bonded Turntrans58.819.7-179.7-57.1-173165.400115.6V150 H152 G156V150-E154 PolarHBondContact O-N 3.42Å; H152-E154 VanDerWaalsContact C-N 3.29Å; H152-E154 PolarHBondContact O-N 3.41Å; E154-G156 VanDerWaalsContact C-N 3.31Å; E154-G156 PolarHBondContact O-N 3.27Å
155N69.5Low82.7Confident3 Ų349.4 Ų49.42%0.01625%0.25CS..  trans-66.989.8172.5-175.6-25.3000109.9V150 R153 C157 V158 N159V150-N155 HydrophobicContact CG1-CB 4.28Å; R153-N155 PolarHBondContact O-N 3.5Å; R153-N155 VanDerWaalsContact O-N 3.15Å; N155-C157 VanDerWaalsContact C-N 3.27Å; N155-C157 PolarHBondContact O-N 3.24Å; N155-V158 PolarHBondContact O-N 3.37Å; N155-V158 PolarHBondContact OD1-N 2.97Å; N155-N159 WeakPolarHBondContact O-CB 3.44Å; N155-N159 PolarHBondContact O-N 3.47Å
156G77.2Confident82.8Confident49 Ų4947.8 Ų47.851%0.50524%0.243SC..Hα-helixtrans-58.8-35-167.200000113.9E154 K160E154-G156 VanDerWaalsContact C-N 3.31Å; E154-G156 PolarHBondContact O-N 3.27Å; G156-K160 WeakPolarHBondContact O-CB 3.41Å; G156-K160 PolarHBondContact O-N 2.97Å
157C81Confident82.8Confident74 Ų7447.3 Ų47.350%0.524%0.241SC..Hα-helixtrans-72.6-47.7-178.4-68.70000112.4I109 V113 N155 K160 L161I109-C157 HydrophobicContact CG2-CB 4.18Å; V113-C157 HydrophobicContact CG2-CB 3.98Å; N155-C157 VanDerWaalsContact C-N 3.27Å; N155-C157 PolarHBondContact O-N 3.24Å; C157-K160 PolarHBondContact O-N 2.82Å; C157-L161 PolarHBondContact O-N 2.72Å
158V85.1Confident82.5Confident1 Ų150 Ų501%0.00625%0.253CS..Hα-helixtrans-71.6-43.1179.1-1770000110.2L94 A97 V113 I116 V150 N155 K160 L161 F162L94-V158 HydrophobicContact CD2-CG1 3.59Å; A97-V158 HydrophobicContact CB-CG2 4.08Å; V113-V158 HydrophobicContact CG2-CG2 4.02Å; I116-V158 HydrophobicContact CD1-CG1 4.46Å; V150-V158 HydrophobicContact CG1-CB 3.86Å; V150-V158 HydrophobicContact CG1-CG1 3.78Å; V150-V158 HydrophobicContact CG2-CG1 4.19Å; N155-V158 PolarHBondContact O-N 3.37Å; N155-V158 PolarHBondContact OD1-N 2.97Å; V158-K160 VanDerWaalsContact C-N 3.26Å; V158-K160 PolarHBondContact O-N 3.18Å; V158-L161 WeakPolarHBondContact O-CB 3.24Å; V158-L161 PolarHBondContact O-N 3.16Å; V158-F162 HydrophobicContact CG1-CD2 3.69Å; V158-F162 HydrophobicContact CG1-CE2 3.59Å; V158-F162 WeakPolarHBondContact O-CD2 3.46Å; V158-F162 PolarHBondContact O-N 3.17Å
159N85.8Confident82.6Confident40 Ų4051.7 Ų51.721%0.21426%0.258CS..Hα-helixtrans-55.1-43174.7-176.44.9000111.5F147 V150 N155 F162 S163F147-N159 VanDerWaalsContact CE2-OD1 3.28Å; F147-N159 WeakPolarHBondContact CE2-OD1 3.44Å; V150-N159 HydrophobicContact CG1-CB 4.16Å; N155-N159 WeakPolarHBondContact O-CB 3.44Å; N155-N159 PolarHBondContact O-N 3.47Å; N159-F162 PolarHBondContact O-N 3.27Å; N159-S163 VanDerWaalsContact O-CB 3.3Å; N159-S163 WeakPolarHBondContact O-CB 3.42Å; N159-S163 PolarHBondContact O-N 3.24Å; N159-S163 PolarHBondContact O-OG 2.75Å
160K86.3Confident82.9Confident134 Ų13448 Ų4858%0.58324%0.242SC*.Hα-helixtrans-60-47.2174.3-175.4-179.2177.9-173.30111.7G156 C157 V158 S163 E164G156-K160 WeakPolarHBondContact O-CB 3.41Å; G156-K160 PolarHBondContact O-N 2.97Å; C157-K160 PolarHBondContact O-N 2.82Å; V158-K160 VanDerWaalsContact C-N 3.26Å; V158-K160 PolarHBondContact O-N 3.18Å; K160-S163 WeakPolarHBondContact O-CB 3.28Å; K160-S163 PolarHBondContact O-N 2.75Å; K160-E164 VanDerWaalsContact CE-OE1 3.27Å; K160-E164 WeakPolarHBondContact CE-OE1 3.42Å; K160-E164 WeakPolarHBondContact O-CG 3.22Å; K160-E164 PolarHBondContact O-N 3.41Å
161L88.6Confident83.2Confident12 Ų1251 Ų516%0.06326%0.256CS..Hα-helixtrans-58.1-51.9178.2-173.970.2000111.8V113 I116 C157 V158 S163 E164 Y165V113-L161 HydrophobicContact CG1-CD2 4.37Å; I116-L161 HydrophobicContact CB-CD2 3.78Å; I116-L161 HydrophobicContact CG2-CD2 3.52Å; C157-L161 PolarHBondContact O-N 2.72Å; V158-L161 WeakPolarHBondContact O-CB 3.24Å; V158-L161 PolarHBondContact O-N 3.16Å; L161-S163 VanDerWaalsContact C-N 3.28Å; L161-S163 PolarHBondContact O-N 3.11Å; L161-E164 WeakPolarHBondContact O-CB 3.34Å; L161-E164 PolarHBondContact O-N 3.24Å; L161-E164 VanDerWaalsContact O-N 3.16Å; L161-Y165 HydrophobicContact CD1-CD2 4.28Å; L161-Y165 HydrophobicContact CD1-CE2 3.73Å; L161-Y165 HydrophobicContact CG-CD2 4.29Å; L161-Y165 HydrophobicContact CG-CE2 4.1Å; L161-Y165 WeakPolarHBondContact O-CD2 3.34Å; L161-Y165 PolarHBondContact O-N 2.86Å
162F91.5Very high83.6Confident1 Ų149.9 Ų49.90%0.00425%0.246CC..Hα-helixtrans-61.9-37178.1-83.6-100000112.4I90 L94 I116 I143 F147 V158 N159 E164 Y165 T166I90-F162 HydrophobicContact CG2-CZ 4.48Å; L94-F162 HydrophobicContact CD1-CZ 4.13Å; L94-F162 HydrophobicContact CD2-CE2 3.85Å; L94-F162 HydrophobicContact CD2-CZ 4.13Å; I116-F162 HydrophobicContact CG2-CE2 4.36Å; I143-F162 HydrophobicContact CB-CE1 4.44Å; I143-F162 HydrophobicContact CG2-CD1 3.89Å; I143-F162 HydrophobicContact CG2-CE1 3.74Å; F147-F162 HydrophobicContact CB-CB 4.28Å; F147-F162 HydrophobicContact CB-CD1 3.63Å; F147-F162 HydrophobicContact CB-CE1 4.26Å; F147-F162 HydrophobicContact CB-CG 4.19Å; F147-F162 HydrophobicContact CD1-CB 4.14Å; F147-F162 HydrophobicContact CD2-CB 3.29Å; F147-F162 HydrophobicContact CD2-CD1 4.23Å; F147-F162 AromaticContact CD2-CG 3.91Å; F147-F162 HydrophobicContact CD2-CG 3.91Å; F147-F162 HydrophobicContact CE1-CB 4.29Å; F147-F162 HydrophobicContact CE2-CB 3.46Å; F147-F162 VanDerWaalsContact CE2-CB 3.46Å; F147-F162 HydrophobicContact CG-CB 3.66Å; F147-F162 AromaticContact CG-CD1 3.96Å; F147-F162 HydrophobicContact CG-CD1 3.96Å; F147-F162 HydrophobicContact CG-CG 4.1Å; F147-F162 HydrophobicContact CZ-CB 3.97Å; V158-F162 HydrophobicContact CG1-CD2 3.69Å; V158-F162 HydrophobicContact CG1-CE2 3.59Å; V158-F162 WeakPolarHBondContact O-CD2 3.46Å; V158-F162 PolarHBondContact O-N 3.17Å; N159-F162 PolarHBondContact O-N 3.27Å; F162-E164 VanDerWaalsContact C-N 3.33Å; F162-E164 PolarHBondContact O-N 3.45Å; F162-Y165 PolarHBondContact O-N 3.18Å; F162-T166 VanDerWaalsContact O-CB 3.28Å; F162-T166 WeakPolarHBondContact O-CB 3.29Å; F162-T166 PolarHBondContact O-N 2.78Å; F162-T166 PolarHBondContact O-OG1 2.83Å
163S89.3Confident84.5Confident19 Ų1943.6 Ų43.613%0.13322%0.217CC..Hα-helixtrans-58.8-44.7174.5-65.40000112F147 N159 K160 L161 T166 I167 Y193F147-S163 WeakPolarHBondContact CZ-OG 3.4Å; N159-S163 VanDerWaalsContact O-CB 3.3Å; N159-S163 WeakPolarHBondContact O-CB 3.42Å; N159-S163 PolarHBondContact O-N 3.24Å; N159-S163 PolarHBondContact O-OG 2.75Å; K160-S163 WeakPolarHBondContact O-CB 3.28Å; K160-S163 PolarHBondContact O-N 2.75Å; L161-S163 VanDerWaalsContact C-N 3.28Å; L161-S163 PolarHBondContact O-N 3.11Å; S163-T166 PolarHBondContact O-N 2.98Å; S163-I167 WeakPolarHBondContact O-CB 3.33Å; S163-I167 WeakPolarHBondContact O-CD1 3.42Å; S163-I167 VanDerWaalsContact O-CG1 3.23Å; S163-I167 WeakPolarHBondContact O-CG1 3.38Å; S163-I167 PolarHBondContact O-N 3.4Å; S163-Y193 WeakPolarHBondContact CB-OH 3.39Å; S163-Y193 PolarHBondContact OG-OH 3.27Å
164E87.3Confident85.6Confident63 Ų6336.8 Ų36.829%0.29419%0.191SC..Hα-helixtrans-61.5-48.3179.5-69175.3178.200111.3K160 L161 F162 I167 K168K160-E164 VanDerWaalsContact CE-OE1 3.27Å; K160-E164 WeakPolarHBondContact CE-OE1 3.42Å; K160-E164 WeakPolarHBondContact O-CG 3.22Å; K160-E164 PolarHBondContact O-N 3.41Å; L161-E164 WeakPolarHBondContact O-CB 3.34Å; L161-E164 PolarHBondContact O-N 3.24Å; L161-E164 VanDerWaalsContact O-N 3.16Å; F162-E164 VanDerWaalsContact C-N 3.33Å; F162-E164 PolarHBondContact O-N 3.45Å; E164-I167 PolarHBondContact O-N 2.94Å; E164-K168 WeakPolarHBondContact O-CB 3.45Å; E164-K168 PolarHBondContact O-N 3.08Å
165Y90.3Very high86.7Confident15 Ų1533.5 Ų33.56%0.05917%0.172CC..Hα-helixtrans-67.3-37.8176.5-75.3-87.2000112.8S117 M120 N121 F124 L161 F162 I167 K168 Y169S117-Y165 PolarHBondContact O-OH 3.48Å; S117-Y165 VanDerWaalsContact O-OH 3.13Å; M120-Y165 HydrophobicContact CB-CD1 4.04Å; M120-Y165 HydrophobicContact CB-CD2 4.1Å; M120-Y165 HydrophobicContact CB-CE1 3.55Å; M120-Y165 HydrophobicContact CB-CE2 3.62Å; M120-Y165 HydrophobicContact CB-CG 4.31Å; M120-Y165 HydrophobicContact CE-CD1 4.06Å; M120-Y165 HydrophobicContact CE-CD2 3.82Å; M120-Y165 HydrophobicContact CE-CG 3.57Å; M120-Y165 HydrophobicContact CG-CD2 4.41Å; M120-Y165 HydrophobicContact CG-CE2 4.24Å; N121-Y165 PolarHBondContact N-OH 3.39Å; N121-Y165 PolarHBondContact OD1-OH 3.23Å; F124-Y165 AromaticContact CD2-CD1 3.47Å; F124-Y165 HydrophobicContact CD2-CD1 3.47Å; F124-Y165 VanDerWaalsContact CD2-CD1 3.47Å; F124-Y165 AromaticContact CD2-CE1 3.9Å; F124-Y165 HydrophobicContact CD2-CE1 3.9Å; F124-Y165 HydrophobicContact CD2-CG 4.43Å; F124-Y165 AromaticContact CE2-CD1 3.82Å; F124-Y165 HydrophobicContact CE2-CD1 3.82Å; F124-Y165 HydrophobicContact CE2-CG 4.39Å; F124-Y165 HydrophobicContact CG-CD1 4.29Å; L161-Y165 HydrophobicContact CD1-CD2 4.28Å; L161-Y165 HydrophobicContact CD1-CE2 3.73Å; L161-Y165 HydrophobicContact CG-CD2 4.29Å; L161-Y165 HydrophobicContact CG-CE2 4.1Å; L161-Y165 WeakPolarHBondContact O-CD2 3.34Å; L161-Y165 PolarHBondContact O-N 2.86Å; F162-Y165 PolarHBondContact O-N 3.18Å; Y165-I167 VanDerWaalsContact C-N 3.32Å; Y165-I167 PolarHBondContact O-N 3.47Å; Y165-K168 PolarHBondContact O-N 3.43Å; Y165-Y169 AromaticContact CD1-CD2 3.95Å; Y165-Y169 HydrophobicContact CD1-CD2 3.95Å; Y165-Y169 AromaticContact CD1-CE2 3.88Å; Y165-Y169 HydrophobicContact CD1-CE2 3.88Å; Y165-Y169 HydrophobicContact CE1-CE2 4.37Å; Y165-Y169 WeakPolarHBondContact O-CB 3.49Å; Y165-Y169 PolarHBondContact O-N 3.32Å
166T91.1Very high87.4Confident0 Ų034.5 Ų34.50%018%0.179CC..Hα-helixtrans-63.6-39.8177.7-57.90000111.4F147 F162 S163 P170 I173 L174 Y193F147-T166 WeakPolarHBondContact CD1-OG1 3.43Å; F147-T166 HydrophobicContact CE1-CG2 4.22Å; F147-T166 VanDerWaalsContact CE1-OG1 3.29Å; F147-T166 WeakPolarHBondContact CE1-OG1 3.16Å; F162-T166 VanDerWaalsContact O-CB 3.28Å; F162-T166 WeakPolarHBondContact O-CB 3.29Å; F162-T166 PolarHBondContact O-N 2.78Å; F162-T166 PolarHBondContact O-OG1 2.83Å; S163-T166 PolarHBondContact O-N 2.98Å; T166-P170 WeakPolarHBondContact O-CA 3.39Å; T166-I173 HydrophobicContact CG2-CG2 4.09Å; T166-L174 HydrophobicContact CG2-CD1 4.14Å; T166-L174 HydrophobicContact CG2-CD2 3.49Å; T166-L174 VanDerWaalsContact CG2-CD2 3.49Å; T166-L174 HydrophobicContact CG2-CG 3.79Å; T166-Y193 HydrophobicContact CG2-CD1 3.64Å; T166-Y193 HydrophobicContact CG2-CD2 4.46Å; T166-Y193 HydrophobicContact CG2-CE1 4.15Å; T166-Y193 HydrophobicContact CG2-CG 3.85Å
167I88Confident87.6Confident16 Ų1632.7 Ų32.78%0.08216%0.158CC..Hα-helixtrans-65-41.8175.1-74.4165.5000110.8S163 E164 Y165 P170 Y193 V198 C200 T761S163-I167 WeakPolarHBondContact O-CB 3.33Å; S163-I167 WeakPolarHBondContact O-CD1 3.42Å; S163-I167 VanDerWaalsContact O-CG1 3.23Å; S163-I167 WeakPolarHBondContact O-CG1 3.38Å; S163-I167 PolarHBondContact O-N 3.4Å; E164-I167 PolarHBondContact O-N 2.94Å; Y165-I167 VanDerWaalsContact C-N 3.32Å; Y165-I167 PolarHBondContact O-N 3.47Å; I167-P170 WeakPolarHBondContact O-CD 3.19Å; I167-Y193 HydrophobicContact CD1-CE1 4.35Å; I167-Y193 HydrophobicContact CG1-CD1 4.05Å; I167-Y193 HydrophobicContact CG1-CE1 4.04Å; I167-V198 HydrophobicContact CD1-CG2 3.69Å; I167-V198 HydrophobicContact CG1-CG2 4.01Å; I167-V198 HydrophobicContact CG2-CG2 4.19Å; I167-V198 WeakPolarHBondContact CG2-O 3.46Å; I167-C200 VanDerWaalsContact O-CB 3.22Å; I167-C200 WeakPolarHBondContact O-CB 3.34Å; I167-C200 PolarHBondContact O-N 2.99Å; I167-C200 PolarHBondContact O-SG 2.91Å; I167-C200 VanDerWaalsContact O-SG 3.39Å; I167-T761 HydrophobicContact CG2-CG2 4.5Å
168K82.8Confident87.4Confident55 Ų5532.6 Ų32.624%0.23915%0.152CC..Hα-helixtrans-76.8-34.3-177.6-169.2170.8177.4176.20113.9E164 Y165 P170 Q765E164-K168 WeakPolarHBondContact O-CB 3.45Å; E164-K168 PolarHBondContact O-N 3.08Å; Y165-K168 PolarHBondContact O-N 3.43Å; K168-P170 WeakPolarHBondContact O-CD 3.35Å; K168-Q765 PolarHBondContact NZ-O 3.5Å; K168-Q765 VanDerWaalsContact NZ-O 3.14Å
169Y87.6Confident86.6Confident43 Ų4337.1 Ų37.117%0.16918%0.183CC..  trans-12852.6-173.9-57.6-76.2000112.9F124 Y165 H171 F172 I173F124-Y169 HydrophobicContact CB-CD1 4.44Å; F124-Y169 HydrophobicContact CB-CD2 4.09Å; F124-Y169 HydrophobicContact CB-CE1 3.98Å; F124-Y169 HydrophobicContact CB-CE2 3.59Å; F124-Y169 HydrophobicContact CB-CG 4.49Å; F124-Y169 AromaticContact CD1-CD1 3.57Å; F124-Y169 HydrophobicContact CD1-CD1 3.57Å; F124-Y169 AromaticContact CD1-CD2 3.5Å; F124-Y169 HydrophobicContact CD1-CD2 3.5Å; F124-Y169 VanDerWaalsContact CD1-CD2 3.5Å; F124-Y169 AromaticContact CD1-CE1 3.97Å; F124-Y169 HydrophobicContact CD1-CE1 3.97Å; F124-Y169 AromaticContact CD1-CE2 3.92Å; F124-Y169 HydrophobicContact CD1-CE2 3.92Å; F124-Y169 AromaticContact CD1-CG 3.31Å; F124-Y169 HydrophobicContact CD1-CG 3.31Å; F124-Y169 HydrophobicContact CD2-CD2 4.03Å; F124-Y169 HydrophobicContact CD2-CE2 4.18Å; F124-Y169 VanDerWaalsContact CE1-CB 3.45Å; F124-Y169 HydrophobicContact CE1-CD1 4.18Å; F124-Y169 AromaticContact CE1-CD2 3.9Å; F124-Y169 HydrophobicContact CE1-CD2 3.9Å; F124-Y169 AromaticContact CE1-CG 3.59Å; F124-Y169 HydrophobicContact CE1-CG 3.59Å; F124-Y169 HydrophobicContact CE2-CD2 4.4Å; F124-Y169 HydrophobicContact CG-CD1 4.24Å; F124-Y169 AromaticContact CG-CD2 3.58Å; F124-Y169 HydrophobicContact CG-CD2 3.58Å; F124-Y169 HydrophobicContact CG-CE1 4.26Å; F124-Y169 AromaticContact CG-CE2 3.62Å; F124-Y169 HydrophobicContact CG-CE2 3.62Å; F124-Y169 AromaticContact CG-CG 3.91Å; F124-Y169 HydrophobicContact CG-CG 3.91Å; F124-Y169 AromaticContact CG-CZ 3.97Å; F124-Y169 HydrophobicContact CZ-CD2 4.35Å; F124-Y169 HydrophobicContact CZ-CG 4.39Å; Y165-Y169 AromaticContact CD1-CD2 3.95Å; Y165-Y169 HydrophobicContact CD1-CD2 3.95Å; Y165-Y169 AromaticContact CD1-CE2 3.88Å; Y165-Y169 HydrophobicContact CD1-CE2 3.88Å; Y165-Y169 HydrophobicContact CE1-CE2 4.37Å; Y165-Y169 WeakPolarHBondContact O-CB 3.49Å; Y165-Y169 PolarHBondContact O-N 3.32Å; Y169-H171 VanDerWaalsContact C-N 3.26Å; Y169-H171 PolarHBondContact O-N 2.88Å; Y169-F172 HydrophobicContact CD1-CD2 4.26Å; Y169-F172 HydrophobicContact CD1-CE2 4.45Å; Y169-F172 PolarHBondContact O-N 3.26Å; Y169-F172 VanDerWaalsContact O-N 3.17Å; Y169-I173 PolarHBondContact O-N 3.01Å; Y169-I173 VanDerWaalsContact O-N 3.1Å
170P89.3Confident85.6Confident0 Ų037.1 Ų37.10%018%0.184CC..Hα-helixtrans-63.4-33.5-173.426.3-36.5000112.9T166 I167 K168 F172 L174 I199 I201T166-P170 WeakPolarHBondContact O-CA 3.39Å; I167-P170 WeakPolarHBondContact O-CD 3.19Å; K168-P170 WeakPolarHBondContact O-CD 3.35Å; P170-F172 PolarHBondContact O-N 2.85Å; P170-L174 HydrophobicContact CB-CD1 3.86Å; P170-L174 HydrophobicContact CB-CG 4.41Å; P170-L174 WeakPolarHBondContact O-CA 2.94Å; P170-L174 VanDerWaalsContact O-CB 3.25Å; P170-L174 WeakPolarHBondContact O-CB 3.43Å; P170-L174 PolarHBondContact O-N 2.93Å; P170-I199 HydrophobicContact CB-CD1 3.46Å; P170-I199 VanDerWaalsContact CB-CD1 3.46Å; P170-I199 HydrophobicContact CB-CG1 3.69Å; P170-I199 HydrophobicContact CG-CD1 3.96Å; P170-I199 HydrophobicContact CG-CG1 3.65Å; P170-I201 HydrophobicContact CG-CG2 3.8Å
171H88.1Confident84.8Confident65 Ų6536.1 Ų36.130%0.30119%0.194SC..Hα-helixtrans-66-21.1179.958.4-74.2000114.5Y169 R175 I206Y169-H171 VanDerWaalsContact C-N 3.26Å; Y169-H171 PolarHBondContact O-N 2.88Å; H171-R175 WeakPolarHBondContact O-CG 3.23Å; H171-R175 PolarHBondContact O-NE 3.31Å; H171-I206 HydrophobicContact CB-CG2 4.21Å
172F88.8Confident84.4Confident15 Ų1538.6 Ų38.67%0.06621%0.207CC..Hα-helixtrans-96.7-50.4174-61.9-54.3000110.8F124 I129 E133 F140 Y169 P170 R175F124-F172 HydrophobicContact CD1-CD2 4.14Å; F124-F172 HydrophobicContact CE1-CB 4.04Å; F124-F172 AromaticContact CE1-CD2 3.9Å; F124-F172 HydrophobicContact CE1-CD2 3.9Å; F124-F172 HydrophobicContact CE1-CG 4.37Å; I129-F172 HydrophobicContact CB-CZ 4.41Å; I129-F172 HydrophobicContact CD1-CD2 4.3Å; I129-F172 HydrophobicContact CD1-CE2 3.55Å; I129-F172 HydrophobicContact CD1-CZ 4.11Å; I129-F172 HydrophobicContact CG1-CE2 4.08Å; I129-F172 HydrophobicContact CG1-CZ 4.39Å; I129-F172 HydrophobicContact CG2-CD1 4.43Å; I129-F172 HydrophobicContact CG2-CE1 3.58Å; I129-F172 HydrophobicContact CG2-CE2 3.79Å; I129-F172 HydrophobicContact CG2-CZ 3.22Å; E133-F172 WeakPolarHBondContact OE1-CE1 3.34Å; F140-F172 HydrophobicContact CB-CB 4.46Å; F140-F172 WeakPolarHBondContact CB-O 3.33Å; F140-F172 HydrophobicContact CD1-CB 3.81Å; F140-F172 HydrophobicContact CD2-CB 4.34Å; F140-F172 HydrophobicContact CE1-CB 4.06Å; F140-F172 HydrophobicContact CE1-CG 4.37Å; F140-F172 HydrophobicContact CE2-CD1 4.28Å; F140-F172 HydrophobicContact CG-CB 3.95Å; F140-F172 HydrophobicContact CZ-CB 4.44Å; F140-F172 HydrophobicContact CZ-CD1 4.47Å; F140-F172 HydrophobicContact CZ-CG 4.36Å; Y169-F172 HydrophobicContact CD1-CD2 4.26Å; Y169-F172 HydrophobicContact CD1-CE2 4.45Å; Y169-F172 PolarHBondContact O-N 3.26Å; Y169-F172 VanDerWaalsContact O-N 3.17Å; P170-F172 PolarHBondContact O-N 2.85Å; F172-R175 WeakPolarHBondContact O-CG 3.38Å
173I91.8Very high84.2Confident0 Ų039.1 Ų39.10%021%0.209CC..Hα-helixtrans-76.2-43.3-172.1-64.7168.1000111.9F124 I143 L144 T166 Y169 R175F124-I173 HydrophobicContact CE1-CD1 4.46Å; F124-I173 HydrophobicContact CE1-CG1 4.44Å; F124-I173 HydrophobicContact CE2-CD1 4.24Å; F124-I173 HydrophobicContact CZ-CD1 3.66Å; F124-I173 HydrophobicContact CZ-CG1 3.78Å; I143-I173 HydrophobicContact CG2-CD1 4.18Å; I143-I173 HydrophobicContact CG2-CG1 4.03Å; I143-I173 HydrophobicContact CG2-CG2 4.16Å; L144-I173 HydrophobicContact CB-CG2 4.33Å; L144-I173 WeakPolarHBondContact CB-O 3.49Å; L144-I173 HydrophobicContact CD1-CG2 4.11Å; L144-I173 WeakPolarHBondContact CD2-O 3.27Å; T166-I173 HydrophobicContact CG2-CG2 4.09Å; Y169-I173 PolarHBondContact O-N 3.01Å; Y169-I173 VanDerWaalsContact O-N 3.1Å; I173-R175 PolarHBondContact O-N 2.98Å; I173-R175 VanDerWaalsContact O-N 3.09Å
174L92.7Very high84.2Confident0 Ų041.5 Ų41.50%022%0.219CC..THydrogen-bonded Turntrans-82.520.1-175.8-57.4176000113.2L144 T166 P170 L189 L194 I199 I210 W214L144-L174 HydrophobicContact CD1-CD2 4.02Å; T166-L174 HydrophobicContact CG2-CD1 4.14Å; T166-L174 HydrophobicContact CG2-CD2 3.49Å; T166-L174 VanDerWaalsContact CG2-CD2 3.49Å; T166-L174 HydrophobicContact CG2-CG 3.79Å; P170-L174 HydrophobicContact CB-CD1 3.86Å; P170-L174 HydrophobicContact CB-CG 4.41Å; P170-L174 WeakPolarHBondContact O-CA 2.94Å; P170-L174 VanDerWaalsContact O-CB 3.25Å; P170-L174 WeakPolarHBondContact O-CB 3.43Å; P170-L174 PolarHBondContact O-N 2.93Å; L174-L189 HydrophobicContact CD2-CD2 4.25Å; L174-L194 HydrophobicContact CD1-CD2 3.72Å; L174-L194 HydrophobicContact CD1-CG 4Å; L174-I199 HydrophobicContact CD1-CD1 4Å; L174-I210 HydrophobicContact CB-CG2 4.33Å; L174-I210 WeakPolarHBondContact O-CG2 3.36Å; L174-W214 PolarHBondContact O-NE1 3.47Å
175R87.8Confident84.2Confident98 Ų9842.5 Ų42.537%0.3722%0.223SC..  trans-66.1142174.4-73.3-175.1-178178.71.9110.2E133 L144 H171 F172 I173E133-R175 IonicContact OE1-CZ 3.47Å; E133-R175 IonicContact OE1-NH1 3.59Å; E133-R175 IonicContact OE1-NH2 3.56Å; E133-R175 PolarHBondContact OE1-NH2 2.94Å; L144-R175 WeakPolarHBondContact CD2-O 3.33Å; H171-R175 WeakPolarHBondContact O-CG 3.23Å; H171-R175 PolarHBondContact O-NE 3.31Å; F172-R175 WeakPolarHBondContact O-CG 3.38Å; I173-R175 PolarHBondContact O-N 2.98Å; I173-R175 VanDerWaalsContact O-N 3.09Å
176P84.6Confident84.2Confident25 Ų2541.8 Ų41.816%0.16222%0.22CC..  trans-63.2136.4179.224.5-34.7000113.4W214 I217P176-W214 VanDerWaalsContact CA-CE2 3.49Å; P176-W214 HydrophobicContact CB-CD2 3.64Å; P176-W214 HydrophobicContact CB-CE3 3.9Å; P176-W214 HydrophobicContact CB-CG 3.92Å; P176-W214 HydrophobicContact CB-CZ2 4.33Å; P176-W214 HydrophobicContact CB-CZ3 4.34Å; P176-I217 HydrophobicContact CB-CB 4.24Å; P176-I217 HydrophobicContact CB-CD1 3.62Å; P176-I217 HydrophobicContact CB-CG2 4.23Å; P176-I217 HydrophobicContact CG-CD1 3.36Å
177C82.2Confident84.2Confident10 Ų1041.9 Ų41.97%0.06822%0.221CC..  trans-140.4130.9173.7660000110.9
178L77.4Confident84.4Confident73 Ų7345.1 Ų45.138%0.38224%0.238SC..  trans-99.6-15.5-177.2-74.1178.2000114.8D180 L183 I217 L218 T221L178-D180 PolarHBondContact O-N 3.41Å; L178-L183 HydrophobicContact CD2-CD1 4.31Å; L178-L183 HydrophobicContact CD2-CD2 3.82Å; L178-I217 HydrophobicContact CD1-CG2 3.54Å; L178-I217 HydrophobicContact CD2-CG2 3.58Å; L178-I217 HydrophobicContact CG-CG2 3.26Å; L178-L218 HydrophobicContact CD2-CD2 4.28Å; L178-T221 HydrophobicContact CD2-CG2 3.79Å
179S66.8Low84.9Confident95 Ų9543.3 Ų43.366%0.66423%0.231SC*.  trans-81.244.3-16448.20000113.7K145K145-S179 PolarHBondContact NZ-O 3.38Å; K145-S179 PolarHBondContact NZ-OG 3.45Å
180D64.6Low85.2Confident41 Ų4141.2 Ų41.222%0.21922%0.223CC..  trans-145.1143.8-175.7-137.9-38.2000115.2K145 L178 N182 L186K145-D180 WeakPolarHBondContact CD-OD2 3.38Å; K145-D180 WeakPolarHBondContact CG-OD2 3.41Å; L178-D180 PolarHBondContact O-N 3.41Å; D180-N182 PolarHBondContact O-N 2.91Å; D180-L186 HydrophobicContact CB-CD1 3.93Å
181S71Confident85.4Confident113 Ų11342.4 Ų42.479%0.7923%0.229SC*.THydrogen-bonded Turntrans-63.5-21.7172.657.70000113
182N79.5Confident85.6Confident64 Ų6442.2 Ų42.234%0.34224%0.235SC..THydrogen-bonded Turntrans-100.828.7-177-70.5-38.5000113.7D180 Q184 H185 L186D180-N182 PolarHBondContact O-N 2.91Å; N182-Q184 VanDerWaalsContact C-N 3.28Å; N182-Q184 PolarHBondContact O-N 2.7Å; N182-H185 HydrophobicContact CB-CB 4.41Å; N182-H185 WeakPolarHBondContact O-CB 3.31Å; N182-H185 PolarHBondContact O-N 2.83Å; N182-L186 PolarHBondContact O-N 2.81Å; N182-L186 VanDerWaalsContact O-N 3.13Å
183L86.9Confident85.7Confident11 Ų1142.4 Ų42.46%0.05824%0.235CC..Hα-helixtrans-53.5-39.3-174.8-175.556.2000113.7L178 H185 L186 I187 W214 L218 T221 F223L178-L183 HydrophobicContact CD2-CD1 4.31Å; L178-L183 HydrophobicContact CD2-CD2 3.82Å; L183-H185 VanDerWaalsContact C-N 3.33Å; L183-H185 PolarHBondContact O-N 3.25Å; L183-L186 WeakPolarHBondContact O-CB 3.21Å; L183-L186 PolarHBondContact O-N 3.49Å; L183-I187 HydrophobicContact CD1-CD1 4.4Å; L183-I187 HydrophobicContact CD1-CG1 4.33Å; L183-I187 HydrophobicContact CG-CD1 4.03Å; L183-I187 HydrophobicContact CG-CG1 4.45Å; L183-I187 VanDerWaalsContact O-CG1 3.29Å; L183-I187 WeakPolarHBondContact O-CG1 3.48Å; L183-I187 PolarHBondContact O-N 3.12Å; L183-W214 HydrophobicContact CD1-CZ3 4.25Å; L183-L218 HydrophobicContact CD1-CD2 4.33Å; L183-L218 HydrophobicContact CD2-CD2 4.18Å; L183-L218 HydrophobicContact CG-CD2 4.44Å; L183-T221 HydrophobicContact CD2-CG2 4.44Å; L183-F223 HydrophobicContact CB-CD2 4.36Å; L183-F223 HydrophobicContact CB-CE2 4.03Å; L183-F223 HydrophobicContact CD2-CD2 3.53Å; L183-F223 HydrophobicContact CD2-CE2 3.83Å; L183-F223 HydrophobicContact CD2-CG 4.48Å; L183-F223 HydrophobicContact CG-CD2 3.98Å; L183-F223 HydrophobicContact CG-CE2 4.16Å
184Q88.6Confident85.8Confident70 Ų7042.4 Ų42.433%0.32724%0.235SC..Hα-helixtrans-59.8-40.8175.1-175.163.545.600112.9N182 L186 I187 N188 F223N182-Q184 VanDerWaalsContact C-N 3.28Å; N182-Q184 PolarHBondContact O-N 2.7Å; Q184-L186 VanDerWaalsContact C-N 3.35Å; Q184-I187 PolarHBondContact O-N 3.41Å; Q184-N188 PolarHBondContact NE2-OD1 3.37Å; Q184-N188 WeakPolarHBondContact O-CB 3.4Å; Q184-N188 PolarHBondContact O-N 3.33Å; Q184-N188 PolarHBondContact O-ND2 3.3Å; Q184-N188 PolarHBondContact O-OD1 2.83Å; Q184-F223 HydrophobicContact CB-CD1 4.41Å; Q184-F223 HydrophobicContact CB-CE1 3.87Å
185H88.1Confident85.6Confident83 Ų8344.9 Ų44.938%0.38425%0.253SS..Hα-helixtrans-67.1-39.1177.7-69.588.7000111H152 N182 L183 N188 L189H152-H185 AromaticContact CD2-NE2 3.72Å; N182-H185 HydrophobicContact CB-CB 4.41Å; N182-H185 WeakPolarHBondContact O-CB 3.31Å; N182-H185 PolarHBondContact O-N 2.83Å; L183-H185 VanDerWaalsContact C-N 3.33Å; L183-H185 PolarHBondContact O-N 3.25Å; H185-N188 PolarHBondContact O-N 2.88Å; H185-L189 VanDerWaalsContact O-CB 3.27Å; H185-L189 WeakPolarHBondContact O-CB 3.3Å; H185-L189 PolarHBondContact O-N 2.95Å
186L90.9Very high85.6Confident1 Ų143.4 Ų43.41%0.00525%0.249CC..Hα-helixtrans-62.2-45.4174.5-68.7167.7000111.7L144 K145 A148 D180 N182 L183 Q184 L189 A190 W214L144-L186 HydrophobicContact CD2-CD2 4.39Å; L144-L186 HydrophobicContact CG-CD2 3.96Å; K145-L186 HydrophobicContact CG-CD1 4.49Å; A148-L186 HydrophobicContact CB-CD2 3.54Å; A148-L186 HydrophobicContact CB-CG 4.18Å; D180-L186 HydrophobicContact CB-CD1 3.93Å; N182-L186 PolarHBondContact O-N 2.81Å; N182-L186 VanDerWaalsContact O-N 3.13Å; L183-L186 WeakPolarHBondContact O-CB 3.21Å; L183-L186 PolarHBondContact O-N 3.49Å; Q184-L186 VanDerWaalsContact C-N 3.35Å; L186-L189 PolarHBondContact O-N 3.05Å; L186-A190 WeakPolarHBondContact O-CB 3.22Å; L186-A190 PolarHBondContact O-N 3.44Å; L186-W214 HydrophobicContact CB-CH2 4.25Å
187I91.7Very high85.5Confident1 Ų143 Ų431%0.00525%0.247CC..Hα-helixtrans-59.3-50.2176.1-69.4166.9000110.4L183 Q184 L189 A190 I191 W214 L218 F223 T228 F232L183-I187 HydrophobicContact CD1-CD1 4.4Å; L183-I187 HydrophobicContact CD1-CG1 4.33Å; L183-I187 HydrophobicContact CG-CD1 4.03Å; L183-I187 HydrophobicContact CG-CG1 4.45Å; L183-I187 VanDerWaalsContact O-CG1 3.29Å; L183-I187 WeakPolarHBondContact O-CG1 3.48Å; L183-I187 PolarHBondContact O-N 3.12Å; Q184-I187 PolarHBondContact O-N 3.41Å; I187-L189 VanDerWaalsContact C-N 3.32Å; I187-L189 PolarHBondContact O-N 2.76Å; I187-A190 PolarHBondContact O-N 3.49Å; I187-I191 HydrophobicContact CG2-CD1 3.59Å; I187-I191 HydrophobicContact CG2-CG1 4.44Å; I187-I191 WeakPolarHBondContact O-CB 3.41Å; I187-I191 WeakPolarHBondContact O-CG1 3.09Å; I187-I191 PolarHBondContact O-N 3.02Å; I187-W214 HydrophobicContact CG1-CZ3 4.18Å; I187-L218 HydrophobicContact CD1-CD1 3.98Å; I187-L218 HydrophobicContact CD1-CD2 3.64Å; I187-L218 HydrophobicContact CD1-CG 4.49Å; I187-L218 HydrophobicContact CG1-CD1 4.11Å; I187-L218 HydrophobicContact CG1-CD2 4.12Å; I187-F223 HydrophobicContact CD1-CB 3.62Å; I187-F223 HydrophobicContact CD1-CD1 4.39Å; I187-F223 HydrophobicContact CD1-CG 3.97Å; I187-T228 HydrophobicContact CG2-CG2 3.95Å; I187-F232 HydrophobicContact CG2-CE2 3.84Å; I187-F232 HydrophobicContact CG2-CZ 4.15Å
188N92Very high85.5Confident85 Ų8543.2 Ų43.246%0.45525%0.248SC..Hα-helixtrans-61.5-40.9179.9-70.9-10.8000111.8Q184 H185 S192Q184-N188 PolarHBondContact NE2-OD1 3.37Å; Q184-N188 WeakPolarHBondContact O-CB 3.4Å; Q184-N188 PolarHBondContact O-N 3.33Å; Q184-N188 PolarHBondContact O-ND2 3.3Å; Q184-N188 PolarHBondContact O-OD1 2.83Å; H185-N188 PolarHBondContact O-N 2.88Å; N188-S192 WeakPolarHBondContact O-CB 3.32Å; N188-S192 PolarHBondContact O-N 3.48Å
189L92Very high85.7Confident16 Ų1639.8 Ų39.88%0.08423%0.23CC..Hα-helixtrans-64.3-48.5175.9-171.6151.1000110.5L144 F147 A148 L174 H185 L186 I187 I191 S192 Y193L144-L189 HydrophobicContact CD1-CD2 3.68Å; F147-L189 HydrophobicContact CD1-CD1 3.87Å; F147-L189 HydrophobicContact CD1-CD2 3.84Å; F147-L189 HydrophobicContact CD1-CG 4.42Å; F147-L189 HydrophobicContact CD2-CD1 4.43Å; F147-L189 HydrophobicContact CE1-CD1 4.12Å; F147-L189 HydrophobicContact CE1-CD2 3.99Å; F147-L189 HydrophobicContact CE1-CG 4.42Å; F147-L189 HydrophobicContact CG-CD1 4.04Å; A148-L189 HydrophobicContact CB-CD1 4.24Å; L174-L189 HydrophobicContact CD2-CD2 4.25Å; H185-L189 VanDerWaalsContact O-CB 3.27Å; H185-L189 WeakPolarHBondContact O-CB 3.3Å; H185-L189 PolarHBondContact O-N 2.95Å; L186-L189 PolarHBondContact O-N 3.05Å; I187-L189 VanDerWaalsContact C-N 3.32Å; I187-L189 PolarHBondContact O-N 2.76Å; L189-I191 PolarHBondContact O-N 2.8Å; L189-S192 WeakPolarHBondContact O-CB 3.46Å; L189-S192 PolarHBondContact O-N 2.99Å; L189-Y193 HydrophobicContact CD2-CD2 3.91Å; L189-Y193 HydrophobicContact CD2-CE2 4.22Å; L189-Y193 HydrophobicContact CG-CD2 4.1Å; L189-Y193 HydrophobicContact CG-CE2 4.13Å; L189-Y193 WeakPolarHBondContact O-CD2 3.28Å; L189-Y193 PolarHBondContact O-N 3.22Å
190A93.6Very high86.3Confident0 Ų035.7 Ų35.70%020%0.201CC..Hα-helixtrans-58.2-50.1178.100000111.8L186 I187 S192 Y193 L194 W214 F232L186-A190 WeakPolarHBondContact O-CB 3.22Å; L186-A190 PolarHBondContact O-N 3.44Å; I187-A190 PolarHBondContact O-N 3.49Å; A190-S192 VanDerWaalsContact C-N 3.32Å; A190-S192 PolarHBondContact O-N 3.31Å; A190-Y193 PolarHBondContact O-N 3.39Å; A190-L194 WeakPolarHBondContact O-CB 3.43Å; A190-L194 WeakPolarHBondContact O-CG 3.46Å; A190-L194 PolarHBondContact O-N 2.93Å; A190-W214 HydrophobicContact CB-CZ2 3.89Å; A190-F232 HydrophobicContact CB-CE1 4.42Å
191I93.6Very high87.1Confident25 Ų2534.1 Ų34.113%0.12819%0.193CC..Hα-helixtrans-57.7-45.5176.5-70.2165.3000110.8I187 L189 Y193 L194 S195 C231 F232I187-I191 HydrophobicContact CG2-CD1 3.59Å; I187-I191 HydrophobicContact CG2-CG1 4.44Å; I187-I191 WeakPolarHBondContact O-CB 3.41Å; I187-I191 WeakPolarHBondContact O-CG1 3.09Å; I187-I191 PolarHBondContact O-N 3.02Å; L189-I191 PolarHBondContact O-N 2.8Å; I191-Y193 PolarHBondContact O-N 2.63Å; I191-L194 PolarHBondContact O-N 3.13Å; I191-S195 VanDerWaalsContact O-CB 3.23Å; I191-S195 WeakPolarHBondContact O-CB 3.45Å; I191-S195 PolarHBondContact O-N 2.92Å; I191-S195 PolarHBondContact O-OG 3.47Å; I191-C231 HydrophobicContact CD1-CB 3.74Å; I191-C231 HydrophobicContact CG1-CB 4.41Å; I191-C231 HydrophobicContact CG2-CB 4.08Å; I191-F232 HydrophobicContact CD1-CD2 4.13Å; I191-F232 HydrophobicContact CD1-CE2 4.03Å; I191-F232 HydrophobicContact CD1-CG 4.44Å; I191-F232 HydrophobicContact CD1-CZ 4.28Å; I191-F232 HydrophobicContact CG1-CD1 3.9Å; I191-F232 HydrophobicContact CG1-CD2 4.22Å; I191-F232 HydrophobicContact CG1-CE1 3.81Å; I191-F232 HydrophobicContact CG1-CE2 4.12Å; I191-F232 HydrophobicContact CG1-CG 4.11Å; I191-F232 HydrophobicContact CG1-CZ 3.91Å
192S92.3Very high87Confident60 Ų6030.5 Ų30.542%0.4217%0.166SC..Hα-helixtrans-57.4-49.5179.3178.40000111.5N188 L189 A190 K196N188-S192 WeakPolarHBondContact O-CB 3.32Å; N188-S192 PolarHBondContact O-N 3.48Å; L189-S192 WeakPolarHBondContact O-CB 3.46Å; L189-S192 PolarHBondContact O-N 2.99Å; A190-S192 VanDerWaalsContact C-N 3.32Å; A190-S192 PolarHBondContact O-N 3.31Å; S192-K196 WeakPolarHBondContact O-CG 3.22Å; S192-K196 PolarHBondContact O-N 3.49Å
193Y92.7Very high86.9Confident19 Ų1930.2 Ų30.28%0.07517%0.165CC..Hα-helixtrans-72.4-42-180-80.7-94.2000113.2F147 S163 T166 I167 L189 A190 I191 S195 K196F147-Y193 HydrophobicContact CE1-CD2 4.37Å; F147-Y193 HydrophobicContact CE1-CE1 4.31Å; F147-Y193 AromaticContact CE1-CE2 3.69Å; F147-Y193 HydrophobicContact CE1-CE2 3.69Å; F147-Y193 AromaticContact CE1-CZ 3.68Å; F147-Y193 HydrophobicContact CZ-CE1 4.39Å; F147-Y193 AromaticContact CZ-CE2 3.8Å; F147-Y193 HydrophobicContact CZ-CE2 3.8Å; F147-Y193 AromaticContact CZ-CZ 3.54Å; F147-Y193 WeakPolarHBondContact CZ-OH 3.38Å; S163-Y193 WeakPolarHBondContact CB-OH 3.39Å; S163-Y193 PolarHBondContact OG-OH 3.27Å; T166-Y193 HydrophobicContact CG2-CD1 3.64Å; T166-Y193 HydrophobicContact CG2-CD2 4.46Å; T166-Y193 HydrophobicContact CG2-CE1 4.15Å; T166-Y193 HydrophobicContact CG2-CG 3.85Å; I167-Y193 HydrophobicContact CD1-CE1 4.35Å; I167-Y193 HydrophobicContact CG1-CD1 4.05Å; I167-Y193 HydrophobicContact CG1-CE1 4.04Å; L189-Y193 HydrophobicContact CD2-CD2 3.91Å; L189-Y193 HydrophobicContact CD2-CE2 4.22Å; L189-Y193 HydrophobicContact CG-CD2 4.1Å; L189-Y193 HydrophobicContact CG-CE2 4.13Å; L189-Y193 WeakPolarHBondContact O-CD2 3.28Å; L189-Y193 PolarHBondContact O-N 3.22Å; A190-Y193 PolarHBondContact O-N 3.39Å; I191-Y193 PolarHBondContact O-N 2.63Å; Y193-S195 PolarHBondContact O-N 3.31Å; Y193-K196 HydrophobicContact CD1-CD 4.19Å; Y193-K196 HydrophobicContact CE1-CD 4.45Å; Y193-K196 VanDerWaalsContact CE1-NZ 3.27Å; Y193-K196 VanDerWaalsContact CZ-NZ 3.32Å; Y193-K196 WeakPolarHBondContact O-CB 3.24Å; Y193-K196 PolarHBondContact O-N 2.96Å; Y193-K196 VanDerWaalsContact O-N 3.1Å; Y193-K196 PolarHBondContact OH-NZ 2.88Å
194L93Very high86.8Confident0 Ų029.9 Ų29.90%016%0.163CC..Hα-helixtrans-63.4-27.5177.3-66.7171.5000112L174 A190 I191 I199 I207 I210 V211 F232 C235 R301L174-L194 HydrophobicContact CD1-CD2 3.72Å; L174-L194 HydrophobicContact CD1-CG 4Å; A190-L194 WeakPolarHBondContact O-CB 3.43Å; A190-L194 WeakPolarHBondContact O-CG 3.46Å; A190-L194 PolarHBondContact O-N 2.93Å; I191-L194 PolarHBondContact O-N 3.13Å; L194-I199 HydrophobicContact CD2-CD1 4.13Å; L194-I207 HydrophobicContact CD2-CD1 3.6Å; L194-I207 HydrophobicContact CD2-CG2 4.37Å; L194-I210 HydrophobicContact CD1-CG2 3.92Å; L194-I210 HydrophobicContact CD2-CB 4.32Å; L194-I210 HydrophobicContact CD2-CD1 4.16Å; L194-I210 HydrophobicContact CD2-CG2 3.95Å; L194-V211 HydrophobicContact CD1-CG2 4.05Å; L194-F232 HydrophobicContact CD1-CD1 4.38Å; L194-F232 HydrophobicContact CD1-CE1 4.2Å; L194-C235 HydrophobicContact CB-CB 3.8Å; L194-R301 PolarHBondContact O-NH1 3.33Å; L194-R301 PolarHBondContact O-NH2 3.44Å
195S88.6Confident86.8Confident53 Ų5327.9 Ų27.937%0.37116%0.155SC..Hα-helixtrans-77.4-20.4175.8-63.10000113.9I191 Y193 C235I191-S195 VanDerWaalsContact O-CB 3.23Å; I191-S195 WeakPolarHBondContact O-CB 3.45Å; I191-S195 PolarHBondContact O-N 2.92Å; I191-S195 PolarHBondContact O-OG 3.47Å; Y193-S195 PolarHBondContact O-N 3.31Å; S195-C235 PolarHBondContact OG-SG 3.41Å
196K87.4Confident86.9Confident66 Ų6625.9 Ų25.929%0.28715%0.146SC..  trans-64.5142.3-174.5-72.6-178.2-176.7176.10112.3S192 Y193 V198 I199 R301S192-K196 WeakPolarHBondContact O-CG 3.22Å; S192-K196 PolarHBondContact O-N 3.49Å; Y193-K196 HydrophobicContact CD1-CD 4.19Å; Y193-K196 HydrophobicContact CE1-CD 4.45Å; Y193-K196 VanDerWaalsContact CE1-NZ 3.27Å; Y193-K196 VanDerWaalsContact CZ-NZ 3.32Å; Y193-K196 WeakPolarHBondContact O-CB 3.24Å; Y193-K196 PolarHBondContact O-N 2.96Å; Y193-K196 VanDerWaalsContact O-N 3.1Å; Y193-K196 PolarHBondContact OH-NZ 2.88Å; K196-V198 HydrophobicContact CB-CG2 4.02Å; K196-V198 HydrophobicContact CD-CG2 4.07Å; K196-V198 PolarHBondContact O-N 2.75Å; K196-I199 WeakPolarHBondContact O-CG2 3.18Å; K196-R301 PolarHBondContact O-NH1 3.35Å
197S82.1Confident87Confident17 Ų1725.8 Ų25.812%0.11915%0.146CC..THydrogen-bonded Turntrans-69.7-13.5169.4-76.30000114.1R237 K299 R301 A302S197-R237 VanDerWaalsContact CA-NH2 3.31Å; S197-R237 PolarHBondContact OG-NH2 3.24Å; S197-K299 WeakPolarHBondContact OG-CE 3.18Å; S197-R301 CarbonylContact O-C 3.53Å; S197-R301 VanDerWaalsContact O-CA 3.28Å; S197-R301 WeakPolarHBondContact O-CA 3.08Å; S197-R301 VanDerWaalsContact O-O 3.12Å; S197-A302 PolarHBondContact O-N 3.07Å; S197-A302 VanDerWaalsContact O-N 3.16Å
198V81.8Confident87.1Confident14 Ų1425.8 Ų25.89%0.08515%0.145CC..THydrogen-bonded Turntrans-95.9-3.5-173.1-52.40000114.2I167 K196 C200 E303 N759I167-V198 HydrophobicContact CD1-CG2 3.69Å; I167-V198 HydrophobicContact CG1-CG2 4.01Å; I167-V198 HydrophobicContact CG2-CG2 4.19Å; I167-V198 WeakPolarHBondContact CG2-O 3.46Å; K196-V198 HydrophobicContact CB-CG2 4.02Å; K196-V198 HydrophobicContact CD-CG2 4.07Å; K196-V198 PolarHBondContact O-N 2.75Å; V198-C200 PolarHBondContact O-N 3.09Å; V198-E303 HydrophobicContact CG1-CB 4.13Å; V198-E303 HydrophobicContact CG1-CG 3.87Å; V198-E303 WeakPolarHBondContact CG1-OE1 3.41Å; V198-E303 WeakPolarHBondContact CG1-OE2 3.41Å; V198-N759 VanDerWaalsContact C-ND2 3.32Å; V198-N759 PolarHBondContact O-ND2 2.82Å; V198-N759 PolarHBondContact O-OD1 3.4Å
199I83.6Confident87.3Confident2 Ų224.8 Ų24.81%0.0114%0.14CC..  trans-61.9128.3-178-168.1161.6000110.4P170 L174 L194 K196 I201 I207P170-I199 HydrophobicContact CB-CD1 3.46Å; P170-I199 VanDerWaalsContact CB-CD1 3.46Å; P170-I199 HydrophobicContact CB-CG1 3.69Å; P170-I199 HydrophobicContact CG-CD1 3.96Å; P170-I199 HydrophobicContact CG-CG1 3.65Å; L174-I199 HydrophobicContact CD1-CD1 4Å; L194-I199 HydrophobicContact CD2-CD1 4.13Å; K196-I199 WeakPolarHBondContact O-CG2 3.18Å; I199-I201 HydrophobicContact CG1-CG2 4.2Å; I199-I201 HydrophobicContact CG2-CD1 4.39Å; I199-I201 PolarHBondContact O-N 2.93Å; I199-I201 VanDerWaalsContact O-N 3.11Å; I199-I207 HydrophobicContact CD1-CD1 3.65Å; I199-I207 HydrophobicContact CG1-CD1 4.4Å; I199-I207 HydrophobicContact CG2-CD1 4.24Å
200C78.9Confident87.5Confident8 Ų824.7 Ų24.75%0.05414%0.14CC..  trans-84.688.3-174.5-54.90000109.4I167 V198 H762I167-C200 VanDerWaalsContact O-CB 3.22Å; I167-C200 WeakPolarHBondContact O-CB 3.34Å; I167-C200 PolarHBondContact O-N 2.99Å; I167-C200 PolarHBondContact O-SG 2.91Å; I167-C200 VanDerWaalsContact O-SG 3.39Å; V198-C200 PolarHBondContact O-N 3.09Å; C200-H762 HydrophobicContact CB-CB 4.42Å; C200-H762 WeakPolarHBondContact SG-CB 3.26Å; C200-H762 VanDerWaalsContact SG-CD2 3.54Å
201I79.9Confident87.5Confident9 Ų924.7 Ų24.75%0.04614%0.14CC..  trans-120.3145.2176.558.7-179.4000111.8P170 I199 E204 I206 I207 R301 S395P170-I201 HydrophobicContact CG-CG2 3.8Å; I199-I201 HydrophobicContact CG1-CG2 4.2Å; I199-I201 HydrophobicContact CG2-CD1 4.39Å; I199-I201 PolarHBondContact O-N 2.93Å; I199-I201 VanDerWaalsContact O-N 3.11Å; I201-E204 WeakPolarHBondContact CD1-OE2 3.48Å; I201-I206 HydrophobicContact CG2-CB 4.47Å; I201-I206 HydrophobicContact CG2-CG2 4.18Å; I201-I207 HydrophobicContact CD1-CD1 3.94Å; I201-I207 HydrophobicContact CD1-CG1 3.3Å; I201-I207 HydrophobicContact CG2-CD1 4.03Å; I201-I207 HydrophobicContact CG2-CG1 4.37Å; I201-R301 HydrophobicContact CD1-CG 4.11Å; I201-R301 HydrophobicContact CG1-CG 4.44Å; I201-S395 WeakPolarHBondContact O-CB 3.41Å
202P69.7Low87.6Confident36 Ų3624.3 Ų24.323%0.23414%0.138CC..SBendtrans-65.5-40.7173.223-34.9000115.7I206P202-I206 HydrophobicContact CG-CD1 3.2Å; P202-I206 HydrophobicContact CG-CG1 4.12Å
203D77.6Confident87.7Confident59 Ų5923.7 Ų23.732%0.31613%0.134SC..SBendtrans-154.7156.9-176.955.876.4000108.1D205 I206 R397D203-D205 PolarHBondContact O-N 2.98Å; D203-D205 WeakPolarHBondContact OD1-CB 3.16Å; D203-D205 PolarHBondContact OD1-N 3.36Å; D203-I206 PolarHBondContact O-N 3.45Å; D203-R397 IonicContact OD2-NH1 2.73Å
204E85.3Confident87.8Confident4 Ų422.8 Ų22.82%0.01913%0.13CC..THydrogen-bonded Turntrans-72.3-16.2-174.2-169.970.3-167.300112.6I201 I206 I207 L208 I236 R237 L240 L241 R301I201-E204 WeakPolarHBondContact CD1-OE2 3.48Å; E204-I206 PolarHBondContact O-N 3.14Å; E204-I207 WeakPolarHBondContact O-CB 3.48Å; E204-I207 PolarHBondContact O-N 2.88Å; E204-L208 PolarHBondContact O-N 2.9Å; E204-L208 VanDerWaalsContact O-N 3.13Å; E204-I236 HydrophobicContact CG-CG2 4.45Å; E204-R237 HydrophobicContact CG-CB 4.22Å; E204-R237 PolarHBondContact OE1-N 3.16Å; E204-L240 HydrophobicContact CB-CB 3.69Å; E204-L240 WeakPolarHBondContact CB-O 3.42Å; E204-L240 HydrophobicContact CG-CB 3.99Å; E204-L241 HydrophobicContact CB-CD2 3.91Å; E204-L241 HydrophobicContact CB-CG 4.41Å; E204-L241 HydrophobicContact CG-CD2 3.76Å; E204-L241 HydrophobicContact CG-CG 4.15Å; E204-R301 IonicContact OE1-CZ 3.1Å; E204-R301 IonicContact OE1-NE 2.94Å; E204-R301 IonicContact OE1-NH2 2.7Å; E204-R301 PolarHBondContact OE1-NH2 3.01Å; E204-R301 IonicContact OE2-CZ 3.8Å; E204-R301 IonicContact OE2-NE 2.7Å; E204-R301 PolarHBondContact OE2-NE 3.27Å; E204-R301 IonicContact OE2-NH2 3.54Å; E204-R301 PolarHBondContact OE2-NH2 2.94Å
205D89Confident87.9Confident28 Ų2822.9 Ų22.915%0.1513%0.13CC..Hα-helixtrans-63-26.8179.2-61.50.1000111.4D203 L208 N209 L241 S242D203-D205 PolarHBondContact O-N 2.98Å; D203-D205 WeakPolarHBondContact OD1-CB 3.16Å; D203-D205 PolarHBondContact OD1-N 3.36Å; D205-L208 WeakPolarHBondContact O-CB 3.28Å; D205-L208 PolarHBondContact O-N 3.47Å; D205-N209 WeakPolarHBondContact O-CB 3.14Å; D205-N209 PolarHBondContact O-N 2.84Å; D205-N209 PolarHBondContact O-ND2 2.86Å; D205-N209 VanDerWaalsContact O-ND2 3.09Å; D205-L241 WeakPolarHBondContact OD1-CD2 3.43Å; D205-S242 PolarHBondContact OD1-N 2.96Å; D205-S242 PolarHBondContact OD1-OG 2.81Å; D205-S242 WeakPolarHBondContact OD2-CB 3.34Å; D205-S242 PolarHBondContact OD2-OG 3.34Å
206I90.2Very high88.1Confident40 Ų4027.3 Ų27.321%0.20515%0.145CC..Hα-helixtrans-61.7-43.2171.9-66.6-164.5000111.6H171 I201 P202 D203 E204 N209 I210H171-I206 HydrophobicContact CB-CG2 4.21Å; I201-I206 HydrophobicContact CG2-CB 4.47Å; I201-I206 HydrophobicContact CG2-CG2 4.18Å; P202-I206 HydrophobicContact CG-CD1 3.2Å; P202-I206 HydrophobicContact CG-CG1 4.12Å; D203-I206 PolarHBondContact O-N 3.45Å; E204-I206 PolarHBondContact O-N 3.14Å; I206-N209 PolarHBondContact O-N 3.36Å; I206-I210 HydrophobicContact CG2-CD1 3.88Å; I206-I210 VanDerWaalsContact O-CG1 3.3Å; I206-I210 WeakPolarHBondContact O-CG1 3.41Å; I206-I210 PolarHBondContact O-N 3.42Å
207I92.6Very high88.3Confident0 Ų027 Ų270%015%0.146CC..Hα-helixtrans-65-45.8177.1-60.6-65.7000109.4L194 I199 I201 E204 N209 I210 V211 I236L194-I207 HydrophobicContact CD2-CD1 3.6Å; L194-I207 HydrophobicContact CD2-CG2 4.37Å; I199-I207 HydrophobicContact CD1-CD1 3.65Å; I199-I207 HydrophobicContact CG1-CD1 4.4Å; I199-I207 HydrophobicContact CG2-CD1 4.24Å; I201-I207 HydrophobicContact CD1-CD1 3.94Å; I201-I207 HydrophobicContact CD1-CG1 3.3Å; I201-I207 HydrophobicContact CG2-CD1 4.03Å; I201-I207 HydrophobicContact CG2-CG1 4.37Å; E204-I207 WeakPolarHBondContact O-CB 3.48Å; E204-I207 PolarHBondContact O-N 2.88Å; I207-N209 VanDerWaalsContact C-N 3.29Å; I207-N209 PolarHBondContact O-N 3.06Å; I207-I210 PolarHBondContact O-N 2.97Å; I207-V211 HydrophobicContact CG2-CG2 4.12Å; I207-V211 WeakPolarHBondContact O-CB 3.47Å; I207-V211 VanDerWaalsContact O-CG2 3.24Å; I207-V211 WeakPolarHBondContact O-CG2 3.21Å; I207-V211 PolarHBondContact O-N 3.24Å; I207-I236 HydrophobicContact CG2-CG1 4.23Å
208L94.3Very high88.8Confident0 Ų026.2 Ų26.20%014%0.14CC..Hα-helixtrans-53.8-47.6174.2174.766.9000111.1E204 D205 I210 V211 L212 I236 L241 G245 K248 L249E204-L208 PolarHBondContact O-N 2.9Å; E204-L208 VanDerWaalsContact O-N 3.13Å; D205-L208 WeakPolarHBondContact O-CB 3.28Å; D205-L208 PolarHBondContact O-N 3.47Å; L208-I210 PolarHBondContact O-N 3.35Å; L208-V211 PolarHBondContact O-N 3.01Å; L208-L212 HydrophobicContact CD1-CD1 3.77Å; L208-L212 HydrophobicContact CD1-CD2 4.34Å; L208-L212 HydrophobicContact CD1-CG 3.86Å; L208-L212 HydrophobicContact CG-CD1 3.9Å; L208-L212 HydrophobicContact CG-CG 4.29Å; L208-L212 WeakPolarHBondContact O-CB 3.35Å; L208-L212 VanDerWaalsContact O-CG 3.22Å; L208-L212 WeakPolarHBondContact O-CG 3.3Å; L208-L212 PolarHBondContact O-N 3.41Å; L208-I236 HydrophobicContact CD1-CD1 3.62Å; L208-L241 HydrophobicContact CB-CD2 3.85Å; L208-L241 HydrophobicContact CD2-CD1 4.42Å; L208-L241 HydrophobicContact CD2-CD2 4.08Å; L208-G245 WeakPolarHBondContact CD2-O 3.15Å; L208-K248 HydrophobicContact CD2-CB 4.19Å; L208-K248 HydrophobicContact CD2-CD 4.23Å; L208-K248 HydrophobicContact CD2-CG 4.35Å; L208-L249 HydrophobicContact CD1-CB 3.93Å; L208-L249 HydrophobicContact CD1-CD1 3.94Å; L208-L249 HydrophobicContact CD1-CG 4.46Å; L208-L249 HydrophobicContact CD2-CB 4.21Å
209N95.4Very high89.3Confident65 Ų6531 Ų3135%0.34816%0.16SC..Hα-helixtrans-61.3-47179.7-71.5-32.9000112.1D205 I206 I207 L212 S213 K248D205-N209 WeakPolarHBondContact O-CB 3.14Å; D205-N209 PolarHBondContact O-N 2.84Å; D205-N209 PolarHBondContact O-ND2 2.86Å; D205-N209 VanDerWaalsContact O-ND2 3.09Å; I206-N209 PolarHBondContact O-N 3.36Å; I207-N209 VanDerWaalsContact C-N 3.29Å; I207-N209 PolarHBondContact O-N 3.06Å; N209-L212 PolarHBondContact O-N 3.19Å; N209-S213 WeakPolarHBondContact O-CB 3.29Å; N209-S213 PolarHBondContact O-N 3.46Å; N209-S213 PolarHBondContact O-OG 3.35Å; N209-K248 PolarHBondContact OD1-NZ 3.04Å
210I95.2Very high89.6Confident13 Ų1336.3 Ų36.37%0.06720%0.195CC..Hα-helixtrans-61-47.4177.6-65164.4000110.3L174 L194 I206 I207 L208 S213 W214L174-I210 HydrophobicContact CB-CG2 4.33Å; L174-I210 WeakPolarHBondContact O-CG2 3.36Å; L194-I210 HydrophobicContact CD1-CG2 3.92Å; L194-I210 HydrophobicContact CD2-CB 4.32Å; L194-I210 HydrophobicContact CD2-CD1 4.16Å; L194-I210 HydrophobicContact CD2-CG2 3.95Å; I206-I210 HydrophobicContact CG2-CD1 3.88Å; I206-I210 VanDerWaalsContact O-CG1 3.3Å; I206-I210 WeakPolarHBondContact O-CG1 3.41Å; I206-I210 PolarHBondContact O-N 3.42Å; I207-I210 PolarHBondContact O-N 2.97Å; L208-I210 PolarHBondContact O-N 3.35Å; I210-S213 PolarHBondContact O-N 3.31Å; I210-W214 VanDerWaalsContact O-CD1 3.3Å; I210-W214 PolarHBondContact O-N 2.98Å
211V95.4Very high90.1Very high0 Ų037.5 Ų37.50%020%0.202CC..Hα-helixtrans-57.2-51.4177.71640000110.9L194 I207 L208 S213 W214 L215 F232 C235 I236L194-V211 HydrophobicContact CD1-CG2 4.05Å; I207-V211 HydrophobicContact CG2-CG2 4.12Å; I207-V211 WeakPolarHBondContact O-CB 3.47Å; I207-V211 VanDerWaalsContact O-CG2 3.24Å; I207-V211 WeakPolarHBondContact O-CG2 3.21Å; I207-V211 PolarHBondContact O-N 3.24Å; L208-V211 PolarHBondContact O-N 3.01Å; V211-S213 VanDerWaalsContact C-N 3.3Å; V211-S213 PolarHBondContact O-N 3.12Å; V211-W214 WeakPolarHBondContact O-CB 3.37Å; V211-W214 PolarHBondContact O-N 2.67Å; V211-L215 HydrophobicContact CG1-CD1 3.95Å; V211-L215 HydrophobicContact CG1-CG 4.39Å; V211-L215 WeakPolarHBondContact O-CG 3.35Å; V211-L215 PolarHBondContact O-N 3.38Å; V211-F232 HydrophobicContact CG1-CB 3.94Å; V211-F232 HydrophobicContact CG1-CD1 4.5Å; V211-F232 HydrophobicContact CG2-CD1 4.23Å; V211-F232 WeakPolarHBondContact CG2-O 3.47Å; V211-C235 HydrophobicContact CG2-CB 4.27Å; V211-I236 HydrophobicContact CB-CD1 4.12Å; V211-I236 HydrophobicContact CB-CG1 4.35Å; V211-I236 HydrophobicContact CG1-CD1 3.8Å; V211-I236 HydrophobicContact CG1-CG1 4.4Å; V211-I236 HydrophobicContact CG2-CD1 4.32Å; V211-I236 HydrophobicContact CG2-CG1 4.03Å
212L95.3Very high90.6Very high18 Ų1844.9 Ų44.99%0.09424%0.236CC..Hα-helixtrans-63.2-37.4-179.9-67.9-179000111.9L208 N209 L215 Q216 K248 Y252L208-L212 HydrophobicContact CD1-CD1 3.77Å; L208-L212 HydrophobicContact CD1-CD2 4.34Å; L208-L212 HydrophobicContact CD1-CG 3.86Å; L208-L212 HydrophobicContact CG-CD1 3.9Å; L208-L212 HydrophobicContact CG-CG 4.29Å; L208-L212 WeakPolarHBondContact O-CB 3.35Å; L208-L212 VanDerWaalsContact O-CG 3.22Å; L208-L212 WeakPolarHBondContact O-CG 3.3Å; L208-L212 PolarHBondContact O-N 3.41Å; N209-L212 PolarHBondContact O-N 3.19Å; L212-L215 PolarHBondContact O-N 3.19Å; L212-Q216 VanDerWaalsContact O-CB 3.29Å; L212-Q216 WeakPolarHBondContact O-CB 3.23Å; L212-Q216 PolarHBondContact O-N 3.14Å; L212-K248 HydrophobicContact CD1-CD 4.08Å; L212-K248 HydrophobicContact CD1-CG 4.01Å; L212-Y252 HydrophobicContact CD2-CD1 3.51Å; L212-Y252 HydrophobicContact CD2-CD2 3.54Å; L212-Y252 HydrophobicContact CD2-CE1 3.85Å; L212-Y252 HydrophobicContact CD2-CE2 3.87Å; L212-Y252 HydrophobicContact CD2-CG 3.35Å
213S94.3Very high91.6Very high47 Ų4745.4 Ų45.433%0.32924%0.235SC..Hα-helixtrans-64.3-42.1174.1-62.50000112.2N209 I210 V211 Q216 I217N209-S213 WeakPolarHBondContact O-CB 3.29Å; N209-S213 PolarHBondContact O-N 3.46Å; N209-S213 PolarHBondContact O-OG 3.35Å; I210-S213 PolarHBondContact O-N 3.31Å; V211-S213 VanDerWaalsContact C-N 3.3Å; V211-S213 PolarHBondContact O-N 3.12Å; S213-Q216 PolarHBondContact O-N 3.48Å; S213-I217 WeakPolarHBondContact O-CB 3.37Å; S213-I217 PolarHBondContact O-N 3.08Å; S213-I217 VanDerWaalsContact O-N 3.08Å
214W95.1Very high92.3Very high0 Ų045 Ų450%023%0.229CC..Hα-helixtrans-59.7-50.5172.3-88.2101.2000111.7L144 L174 P176 L183 L186 I187 A190 I210 V211 Q216 I217 L218 F232L144-W214 HydrophobicContact CD2-CH2 4.45Å; L144-W214 HydrophobicContact CD2-CZ2 3.95Å; L174-W214 PolarHBondContact O-NE1 3.47Å; P176-W214 VanDerWaalsContact CA-CE2 3.49Å; P176-W214 HydrophobicContact CB-CD2 3.64Å; P176-W214 HydrophobicContact CB-CE3 3.9Å; P176-W214 HydrophobicContact CB-CG 3.92Å; P176-W214 HydrophobicContact CB-CZ2 4.33Å; P176-W214 HydrophobicContact CB-CZ3 4.34Å; L183-W214 HydrophobicContact CD1-CZ3 4.25Å; L186-W214 HydrophobicContact CB-CH2 4.25Å; I187-W214 HydrophobicContact CG1-CZ3 4.18Å; A190-W214 HydrophobicContact CB-CZ2 3.89Å; I210-W214 VanDerWaalsContact O-CD1 3.3Å; I210-W214 PolarHBondContact O-N 2.98Å; V211-W214 WeakPolarHBondContact O-CB 3.37Å; V211-W214 PolarHBondContact O-N 2.67Å; W214-Q216 VanDerWaalsContact C-N 3.32Å; W214-Q216 PolarHBondContact O-N 3.24Å; W214-I217 PolarHBondContact O-N 2.84Å; W214-L218 HydrophobicContact CE3-CD1 4.17Å; W214-L218 HydrophobicContact CE3-CD2 4.47Å; W214-L218 HydrophobicContact CE3-CG 4.25Å; W214-L218 WeakPolarHBondContact O-CB 3.31Å; W214-L218 VanDerWaalsContact O-CG 3.23Å; W214-L218 WeakPolarHBondContact O-CG 3.23Å; W214-L218 PolarHBondContact O-N 3.16Å; W214-F232 HydrophobicContact CB-CD1 4.3Å; W214-F232 HydrophobicContact CB-CE1 3.7Å; W214-F232 HydrophobicContact CB-CE2 4.22Å; W214-F232 HydrophobicContact CB-CZ 3.66Å; W214-F232 AromaticContact CD1-CE1 3.99Å; W214-F232 HydrophobicContact CD2-CE1 4.26Å; W214-F232 AromaticContact CD2-CZ 3.87Å; W214-F232 HydrophobicContact CD2-CZ 3.87Å; W214-F232 HydrophobicContact CE3-CZ 4.14Å; W214-F232 AromaticContact CG-CE1 3.7Å; W214-F232 HydrophobicContact CG-CE1 3.7Å; W214-F232 AromaticContact CG-CZ 3.69Å; W214-F232 HydrophobicContact CG-CZ 3.69Å
215L94.4Very high92.5Very high1 Ų147.8 Ų47.81%0.00525%0.246CC..Hα-helixtrans-61.7-40.3-179.5-66.1178.5000112.2V211 L212 I217 L218 K219 Y224 I229 F232 L233 Y252V211-L215 HydrophobicContact CG1-CD1 3.95Å; V211-L215 HydrophobicContact CG1-CG 4.39Å; V211-L215 WeakPolarHBondContact O-CG 3.35Å; V211-L215 PolarHBondContact O-N 3.38Å; L212-L215 PolarHBondContact O-N 3.19Å; L215-I217 VanDerWaalsContact C-N 3.34Å; L215-I217 PolarHBondContact O-N 2.92Å; L215-L218 PolarHBondContact O-N 3.5Å; L215-K219 PolarHBondContact O-N 2.78Å; L215-K219 VanDerWaalsContact O-N 3.14Å; L215-Y224 HydrophobicContact CB-CE2 4.33Å; L215-Y224 HydrophobicContact CD2-CE2 4.38Å; L215-Y224 VanDerWaalsContact O-CE2 3.3Å; L215-Y224 WeakPolarHBondContact O-CE2 3.44Å; L215-I229 HydrophobicContact CD2-CB 4.34Å; L215-I229 HydrophobicContact CD2-CG1 4.02Å; L215-I229 HydrophobicContact CD2-CG2 4.45Å; L215-F232 HydrophobicContact CD1-CB 4.38Å; L215-F232 HydrophobicContact CD2-CB 3.9Å; L215-F232 HydrophobicContact CD2-CD2 3.77Å; L215-F232 HydrophobicContact CD2-CG 4.09Å; L215-F232 HydrophobicContact CG-CB 4.24Å; L215-F232 HydrophobicContact CG-CG 4.5Å; L215-L233 HydrophobicContact CD1-CD2 4.21Å; L215-L233 HydrophobicContact CD1-CG 4.47Å; L215-Y252 WeakPolarHBondContact CB-OH 3.44Å; L215-Y252 HydrophobicContact CD1-CE1 3.79Å; L215-Y252 WeakPolarHBondContact CD1-OH 3.47Å
216Q93.3Very high92.5Very high147 Ų14752 Ų5269%0.68727%0.265SS*.Hα-helixtrans-61.9-42.7176.3-177.4177.71.900111.9L212 S213 W214 K219L212-Q216 VanDerWaalsContact O-CB 3.29Å; L212-Q216 WeakPolarHBondContact O-CB 3.23Å; L212-Q216 PolarHBondContact O-N 3.14Å; S213-Q216 PolarHBondContact O-N 3.48Å; W214-Q216 VanDerWaalsContact C-N 3.32Å; W214-Q216 PolarHBondContact O-N 3.24Å; Q216-K219 WeakPolarHBondContact O-CB 3.47Å
217I91Very high92.5Very high59 Ų5955.2 Ų55.230%0.30328%0.283SS..Hα-helixtrans-76.7-31.1-178.1-80.4168.6000112.2P176 L178 S213 W214 L215 P220P176-I217 HydrophobicContact CB-CB 4.24Å; P176-I217 HydrophobicContact CB-CD1 3.62Å; P176-I217 HydrophobicContact CB-CG2 4.23Å; P176-I217 HydrophobicContact CG-CD1 3.36Å; L178-I217 HydrophobicContact CD1-CG2 3.54Å; L178-I217 HydrophobicContact CD2-CG2 3.58Å; L178-I217 HydrophobicContact CG-CG2 3.26Å; S213-I217 WeakPolarHBondContact O-CB 3.37Å; S213-I217 PolarHBondContact O-N 3.08Å; S213-I217 VanDerWaalsContact O-N 3.08Å; W214-I217 PolarHBondContact O-N 2.84Å; L215-I217 VanDerWaalsContact C-N 3.34Å; L215-I217 PolarHBondContact O-N 2.92Å; I217-P220 VanDerWaalsContact O-CD 3.31Å; I217-P220 WeakPolarHBondContact O-CD 3.37Å
218L93.1Very high92.4Very high0 Ų055.6 Ų55.60%029%0.285CS..Hα-helixtrans-75.7-23.6176.6-69.9173.7000112.7L178 L183 I187 W214 L215 P220 T221 F223 Y224 T228 F232L178-L218 HydrophobicContact CD2-CD2 4.28Å; L183-L218 HydrophobicContact CD1-CD2 4.33Å; L183-L218 HydrophobicContact CD2-CD2 4.18Å; L183-L218 HydrophobicContact CG-CD2 4.44Å; I187-L218 HydrophobicContact CD1-CD1 3.98Å; I187-L218 HydrophobicContact CD1-CD2 3.64Å; I187-L218 HydrophobicContact CD1-CG 4.49Å; I187-L218 HydrophobicContact CG1-CD1 4.11Å; I187-L218 HydrophobicContact CG1-CD2 4.12Å; W214-L218 HydrophobicContact CE3-CD1 4.17Å; W214-L218 HydrophobicContact CE3-CD2 4.47Å; W214-L218 HydrophobicContact CE3-CG 4.25Å; W214-L218 WeakPolarHBondContact O-CB 3.31Å; W214-L218 VanDerWaalsContact O-CG 3.23Å; W214-L218 WeakPolarHBondContact O-CG 3.23Å; W214-L218 PolarHBondContact O-N 3.16Å; L215-L218 PolarHBondContact O-N 3.5Å; L218-P220 VanDerWaalsContact C-CD 3.4Å; L218-P220 VanDerWaalsContact C-N 3.34Å; L218-P220 VanDerWaalsContact O-N 3.09Å; L218-T221 WeakPolarHBondContact O-CA 3.26Å; L218-T221 WeakPolarHBondContact O-CB 3.4Å; L218-T221 PolarHBondContact O-N 3.28Å; L218-T221 PolarHBondContact O-OG1 3.21Å; L218-F223 HydrophobicContact CD2-CB 4.42Å; L218-Y224 HydrophobicContact CB-CD2 4.05Å; L218-Y224 WeakPolarHBondContact O-CB 3.45Å; L218-T228 HydrophobicContact CD1-CG2 4.11Å; L218-F232 HydrophobicContact CD1-CD2 4.37Å; L218-F232 HydrophobicContact CD1-CE2 3.57Å; L218-F232 HydrophobicContact CD1-CZ 4.27Å
219K90.8Very high92.3Very high116 Ų11655.9 Ų55.950%0.50429%0.287SS..THydrogen-bonded Turntrans-43.7-42-176.5-167.7168.4-177.7168.70116.5L215 Q216 T221 Y224L215-K219 PolarHBondContact O-N 2.78Å; L215-K219 VanDerWaalsContact O-N 3.14Å; Q216-K219 WeakPolarHBondContact O-CB 3.47Å; K219-T221 VanDerWaalsContact C-N 3.32Å; K219-Y224 HydrophobicContact CB-CD2 4.36Å; K219-Y224 HydrophobicContact CB-CE2 4.3Å; K219-Y224 HydrophobicContact CG-CE1 4.37Å
220P90.5Very high91.9Very high112 Ų11255.4 Ų55.473%0.72728%0.282SS*.THydrogen-bonded Turntrans-82.90.8176.633.6-37.3000115I217 L218I217-P220 VanDerWaalsContact O-CD 3.31Å; I217-P220 WeakPolarHBondContact O-CD 3.37Å; L218-P220 VanDerWaalsContact C-CD 3.4Å; L218-P220 VanDerWaalsContact C-N 3.34Å; L218-P220 VanDerWaalsContact O-N 3.09Å
221T90.5Very high91.7Very high34 Ų3456.3 Ų56.321%0.20929%0.29CS..SBendtrans-104157.3-174.874.40000111.9L178 L183 L218 K219 F223 Y224L178-T221 HydrophobicContact CD2-CG2 3.79Å; L183-T221 HydrophobicContact CD2-CG2 4.44Å; L218-T221 WeakPolarHBondContact O-CA 3.26Å; L218-T221 WeakPolarHBondContact O-CB 3.4Å; L218-T221 PolarHBondContact O-N 3.28Å; L218-T221 PolarHBondContact O-OG1 3.21Å; K219-T221 VanDerWaalsContact C-N 3.32Å; T221-F223 PolarHBondContact O-N 2.95Å; T221-F223 PolarHBondContact OG1-N 3.22Å; T221-Y224 PolarHBondContact O-N 3.49Å
222E90.8Very high91.6Very high163 Ų16356.3 Ų56.376%0.76229%0.29SS*.THydrogen-bonded Turntrans-62.9-18.7174.464.9-177.7177.800113.8Y224E222-Y224 VanDerWaalsContact C-N 3.27Å; E222-Y224 PolarHBondContact O-N 3.45Å
223F89.4Confident91.3Very high48 Ų4855.8 Ų55.821%0.21129%0.287CS..THydrogen-bonded Turntrans-78.8-8.1-179.9-59.9-74000113.6L183 Q184 I187 L218 T221 T225 T228L183-F223 HydrophobicContact CB-CD2 4.36Å; L183-F223 HydrophobicContact CB-CE2 4.03Å; L183-F223 HydrophobicContact CD2-CD2 3.53Å; L183-F223 HydrophobicContact CD2-CE2 3.83Å; L183-F223 HydrophobicContact CD2-CG 4.48Å; L183-F223 HydrophobicContact CG-CD2 3.98Å; L183-F223 HydrophobicContact CG-CE2 4.16Å; Q184-F223 HydrophobicContact CB-CD1 4.41Å; Q184-F223 HydrophobicContact CB-CE1 3.87Å; I187-F223 HydrophobicContact CD1-CB 3.62Å; I187-F223 HydrophobicContact CD1-CD1 4.39Å; I187-F223 HydrophobicContact CD1-CG 3.97Å; L218-F223 HydrophobicContact CD2-CB 4.42Å; T221-F223 PolarHBondContact O-N 2.95Å; T221-F223 PolarHBondContact OG1-N 3.22Å; F223-T225 PolarHBondContact O-N 2.73Å; F223-T228 VanDerWaalsContact O-CB 3.24Å; F223-T228 WeakPolarHBondContact O-CB 3.25Å; F223-T228 WeakPolarHBondContact O-CG2 3.28Å; F223-T228 PolarHBondContact O-OG1 3.16Å
224Y91.9Very high90.9Very high51 Ų5157.5 Ų57.520%0.229%0.29CS..  trans-76.166.3173.5-165.3-102.6000111.1L215 L218 K219 T221 E222 I229 H257L215-Y224 HydrophobicContact CB-CE2 4.33Å; L215-Y224 HydrophobicContact CD2-CE2 4.38Å; L215-Y224 VanDerWaalsContact O-CE2 3.3Å; L215-Y224 WeakPolarHBondContact O-CE2 3.44Å; L218-Y224 HydrophobicContact CB-CD2 4.05Å; L218-Y224 WeakPolarHBondContact O-CB 3.45Å; K219-Y224 HydrophobicContact CB-CD2 4.36Å; K219-Y224 HydrophobicContact CB-CE2 4.3Å; K219-Y224 HydrophobicContact CG-CE1 4.37Å; T221-Y224 PolarHBondContact O-N 3.49Å; E222-Y224 VanDerWaalsContact C-N 3.27Å; E222-Y224 PolarHBondContact O-N 3.45Å; Y224-I229 HydrophobicContact CD1-CD1 3.88Å; Y224-I229 HydrophobicContact CD2-CD1 4.16Å; Y224-I229 HydrophobicContact CD2-CG1 4.15Å; Y224-I229 HydrophobicContact CE1-CD1 3.58Å; Y224-I229 HydrophobicContact CE1-CG1 4.49Å; Y224-I229 HydrophobicContact CE2-CD1 3.9Å; Y224-I229 HydrophobicContact CE2-CG1 3.92Å; Y224-I229 HydrophobicContact CG-CD1 4.17Å; Y224-H257 AromaticContact CZ-CE1 3.94Å; Y224-H257 AromaticContact CZ-NE2 3.82Å; Y224-H257 PolarHBondContact OH-CE1 3.49Å; Y224-H257 VanDerWaalsContact OH-CE1 3.28Å; Y224-H257 PolarHBondContact OH-NE2 3.31Å
225T91Very high90.7Very high61 Ų6157.6 Ų57.637%0.37429%0.29SS..  trans-96.9157.1177.671.30000110.5F223 N227 T228 I229F223-T225 PolarHBondContact O-N 2.73Å; T225-N227 PolarHBondContact O-N 3.32Å; T225-T228 PolarHBondContact O-N 2.86Å; T225-T228 VanDerWaalsContact O-N 3.12Å; T225-T228 PolarHBondContact OG1-N 2.84Å; T225-T228 PolarHBondContact OG1-OG1 2.75Å; T225-I229 WeakPolarHBondContact O-CD1 3.34Å; T225-I229 WeakPolarHBondContact O-CG1 3.32Å; T225-I229 PolarHBondContact O-N 3.1Å
226E88.1Confident90.4Very high116 Ų11657.7 Ų57.754%0.54229%0.291SS..Hα-helixtrans-50.5-43.5172.7172170.8-173.400112I229 Q230 L260E226-I229 PolarHBondContact O-N 3.09Å; E226-Q230 HydrophobicContact CG-CG 4.32Å; E226-Q230 WeakPolarHBondContact O-CB 3.2Å; E226-Q230 VanDerWaalsContact O-CG 3.28Å; E226-Q230 WeakPolarHBondContact O-CG 3.48Å; E226-Q230 PolarHBondContact O-N 2.95Å; E226-Q230 PolarHBondContact OE1-NE2 2.84Å; E226-L260 VanDerWaalsContact CD-CD2 3.48Å; E226-L260 HydrophobicContact CG-CD2 3.5Å; E226-L260 WeakPolarHBondContact OE1-CD2 3.33Å
227N90.1Very high89.8Confident108 Ų10851.4 Ų51.458%0.57826%0.261SS*.Hα-helixtrans-62.5-46.5178.7-174.551.6000112T225 I229 Q230 C231T225-N227 PolarHBondContact O-N 3.32Å; N227-I229 VanDerWaalsContact C-N 3.32Å; N227-I229 PolarHBondContact O-N 3.15Å; N227-Q230 PolarHBondContact O-N 3.02Å; N227-C231 PolarHBondContact O-N 3.04Å; N227-C231 PolarHBondContact O-SG 2.77Å
228T91.1Very high89.1Confident9 Ų948.7 Ų48.76%0.05525%0.247CC..Hα-helixtrans-59.3-44.9176.5-560000111.2I187 L218 F223 T225 C231 F232I187-T228 HydrophobicContact CG2-CG2 3.95Å; L218-T228 HydrophobicContact CD1-CG2 4.11Å; F223-T228 VanDerWaalsContact O-CB 3.24Å; F223-T228 WeakPolarHBondContact O-CB 3.25Å; F223-T228 WeakPolarHBondContact O-CG2 3.28Å; F223-T228 PolarHBondContact O-OG1 3.16Å; T225-T228 PolarHBondContact O-N 2.86Å; T225-T228 VanDerWaalsContact O-N 3.12Å; T225-T228 PolarHBondContact OG1-N 2.84Å; T225-T228 PolarHBondContact OG1-OG1 2.75Å; T228-C231 PolarHBondContact O-N 3.08Å; T228-F232 HydrophobicContact CG2-CD2 3.79Å; T228-F232 HydrophobicContact CG2-CE2 3.78Å; T228-F232 WeakPolarHBondContact O-CD2 3.47Å; T228-F232 PolarHBondContact O-N 3.32Å
229I91.1Very high88Confident5 Ų549.5 Ų49.53%0.02626%0.255CS..Hα-helixtrans-63.3-47.6-179.8-62.6159.9000110.1L215 Y224 T225 E226 N227 C231 F232 L233 L260L215-I229 HydrophobicContact CD2-CB 4.34Å; L215-I229 HydrophobicContact CD2-CG1 4.02Å; L215-I229 HydrophobicContact CD2-CG2 4.45Å; Y224-I229 HydrophobicContact CD1-CD1 3.88Å; Y224-I229 HydrophobicContact CD2-CD1 4.16Å; Y224-I229 HydrophobicContact CD2-CG1 4.15Å; Y224-I229 HydrophobicContact CE1-CD1 3.58Å; Y224-I229 HydrophobicContact CE1-CG1 4.49Å; Y224-I229 HydrophobicContact CE2-CD1 3.9Å; Y224-I229 HydrophobicContact CE2-CG1 3.92Å; Y224-I229 HydrophobicContact CG-CD1 4.17Å; T225-I229 WeakPolarHBondContact O-CD1 3.34Å; T225-I229 WeakPolarHBondContact O-CG1 3.32Å; T225-I229 PolarHBondContact O-N 3.1Å; E226-I229 PolarHBondContact O-N 3.09Å; N227-I229 VanDerWaalsContact C-N 3.32Å; N227-I229 PolarHBondContact O-N 3.15Å; I229-C231 PolarHBondContact O-N 3.24Å; I229-F232 PolarHBondContact O-N 3.26Å; I229-L233 HydrophobicContact CG2-CD1 4.02Å; I229-L233 HydrophobicContact CG2-CG 4.41Å; I229-L233 WeakPolarHBondContact O-CB 3.42Å; I229-L233 WeakPolarHBondContact O-CG 3.28Å; I229-L233 PolarHBondContact O-N 3.35Å; I229-L260 HydrophobicContact CB-CD1 4.31Å; I229-L260 HydrophobicContact CG2-CD1 3.7Å
230Q88.6Confident87.3Confident55 Ų5546.8 Ų46.826%0.25725%0.246SC..Hα-helixtrans-59-45.5175.8-73.9-178.1900111.8E226 N227 F232 L233 Q234 L260E226-Q230 HydrophobicContact CG-CG 4.32Å; E226-Q230 WeakPolarHBondContact O-CB 3.2Å; E226-Q230 VanDerWaalsContact O-CG 3.28Å; E226-Q230 WeakPolarHBondContact O-CG 3.48Å; E226-Q230 PolarHBondContact O-N 2.95Å; E226-Q230 PolarHBondContact OE1-NE2 2.84Å; N227-Q230 PolarHBondContact O-N 3.02Å; Q230-F232 PolarHBondContact O-N 3.46Å; Q230-L233 PolarHBondContact O-N 3.38Å; Q230-Q234 VanDerWaalsContact O-CB 3.29Å; Q230-Q234 WeakPolarHBondContact O-CB 3.19Å; Q230-Q234 WeakPolarHBondContact O-CG 3.22Å; Q230-Q234 PolarHBondContact O-N 3.48Å; Q230-L260 HydrophobicContact CG-CD1 4.32Å
231C90.8Very high86.7Confident33 Ų3341.9 Ų41.922%0.22321%0.213CC..Hα-helixtrans-62-41.9178.1-69.90000112.5I191 N227 T228 I229 Q234 C235I191-C231 HydrophobicContact CD1-CB 3.74Å; I191-C231 HydrophobicContact CG1-CB 4.41Å; I191-C231 HydrophobicContact CG2-CB 4.08Å; N227-C231 PolarHBondContact O-N 3.04Å; N227-C231 PolarHBondContact O-SG 2.77Å; T228-C231 PolarHBondContact O-N 3.08Å; I229-C231 PolarHBondContact O-N 3.24Å; C231-Q234 PolarHBondContact O-N 3.26Å; C231-C235 PolarHBondContact O-N 3.17Å; C231-C235 PolarHBondContact O-SG 3.43Å
232F92.7Very high85.9Confident0 Ų042.4 Ų42.40%022%0.219CC..Hα-helixtrans-65.2-45.7175.7-92.2-62.1000112.3I187 A190 I191 L194 V211 W214 L215 L218 T228 I229 Q230 Q234 C235I187-F232 HydrophobicContact CG2-CE2 3.84Å; I187-F232 HydrophobicContact CG2-CZ 4.15Å; A190-F232 HydrophobicContact CB-CE1 4.42Å; I191-F232 HydrophobicContact CD1-CD2 4.13Å; I191-F232 HydrophobicContact CD1-CE2 4.03Å; I191-F232 HydrophobicContact CD1-CG 4.44Å; I191-F232 HydrophobicContact CD1-CZ 4.28Å; I191-F232 HydrophobicContact CG1-CD1 3.9Å; I191-F232 HydrophobicContact CG1-CD2 4.22Å; I191-F232 HydrophobicContact CG1-CE1 3.81Å; I191-F232 HydrophobicContact CG1-CE2 4.12Å; I191-F232 HydrophobicContact CG1-CG 4.11Å; I191-F232 HydrophobicContact CG1-CZ 3.91Å; L194-F232 HydrophobicContact CD1-CD1 4.38Å; L194-F232 HydrophobicContact CD1-CE1 4.2Å; V211-F232 HydrophobicContact CG1-CB 3.94Å; V211-F232 HydrophobicContact CG1-CD1 4.5Å; V211-F232 HydrophobicContact CG2-CD1 4.23Å; V211-F232 WeakPolarHBondContact CG2-O 3.47Å; W214-F232 HydrophobicContact CB-CD1 4.3Å; W214-F232 HydrophobicContact CB-CE1 3.7Å; W214-F232 HydrophobicContact CB-CE2 4.22Å; W214-F232 HydrophobicContact CB-CZ 3.66Å; W214-F232 AromaticContact CD1-CE1 3.99Å; W214-F232 HydrophobicContact CD2-CE1 4.26Å; W214-F232 AromaticContact CD2-CZ 3.87Å; W214-F232 HydrophobicContact CD2-CZ 3.87Å; W214-F232 HydrophobicContact CE3-CZ 4.14Å; W214-F232 AromaticContact CG-CE1 3.7Å; W214-F232 HydrophobicContact CG-CE1 3.7Å; W214-F232 AromaticContact CG-CZ 3.69Å; W214-F232 HydrophobicContact CG-CZ 3.69Å; L215-F232 HydrophobicContact CD1-CB 4.38Å; L215-F232 HydrophobicContact CD2-CB 3.9Å; L215-F232 HydrophobicContact CD2-CD2 3.77Å; L215-F232 HydrophobicContact CD2-CG 4.09Å; L215-F232 HydrophobicContact CG-CB 4.24Å; L215-F232 HydrophobicContact CG-CG 4.5Å; L218-F232 HydrophobicContact CD1-CD2 4.37Å; L218-F232 HydrophobicContact CD1-CE2 3.57Å; L218-F232 HydrophobicContact CD1-CZ 4.27Å; T228-F232 HydrophobicContact CG2-CD2 3.79Å; T228-F232 HydrophobicContact CG2-CE2 3.78Å; T228-F232 WeakPolarHBondContact O-CD2 3.47Å; T228-F232 PolarHBondContact O-N 3.32Å; I229-F232 PolarHBondContact O-N 3.26Å; Q230-F232 PolarHBondContact O-N 3.46Å; F232-Q234 VanDerWaalsContact C-N 3.3Å; F232-Q234 PolarHBondContact O-N 2.88Å; F232-C235 VanDerWaalsContact O-CB 3.23Å; F232-C235 WeakPolarHBondContact O-CB 3.33Å; F232-C235 PolarHBondContact O-N 2.87Å; F232-C235 VanDerWaalsContact O-N 3.13Å
233L89Confident85.2Confident7 Ų739.2 Ų39.24%0.03721%0.206CC..Hα-helixtrans-61.4-41.2175.7-68.7178.1000110.8L215 I229 Q230 C235 I236 L249 Y252 W262L215-L233 HydrophobicContact CD1-CD2 4.21Å; L215-L233 HydrophobicContact CD1-CG 4.47Å; I229-L233 HydrophobicContact CG2-CD1 4.02Å; I229-L233 HydrophobicContact CG2-CG 4.41Å; I229-L233 WeakPolarHBondContact O-CB 3.42Å; I229-L233 WeakPolarHBondContact O-CG 3.28Å; I229-L233 PolarHBondContact O-N 3.35Å; Q230-L233 PolarHBondContact O-N 3.38Å; L233-C235 PolarHBondContact O-N 3.1Å; L233-C235 VanDerWaalsContact O-N 3.15Å; L233-I236 HydrophobicContact CD2-CD1 4.25Å; L233-I236 WeakPolarHBondContact O-CB 3.47Å; L233-I236 PolarHBondContact O-N 3.32Å; L233-L249 HydrophobicContact CD2-CD1 4.26Å; L233-Y252 HydrophobicContact CD2-CD1 4.39Å; L233-Y252 HydrophobicContact CD2-CE1 4.2Å; L233-W262 WeakPolarHBondContact O-CZ2 3.32Å
234Q87Confident85Confident83 Ų8342.4 Ų42.439%0.38823%0.226SC..Hα-helixtrans-62.4-18.9175.9-74.917111.900114.5Q230 C231 F232 I236Q230-Q234 VanDerWaalsContact O-CB 3.29Å; Q230-Q234 WeakPolarHBondContact O-CB 3.19Å; Q230-Q234 WeakPolarHBondContact O-CG 3.22Å; Q230-Q234 PolarHBondContact O-N 3.48Å; C231-Q234 PolarHBondContact O-N 3.26Å; F232-Q234 VanDerWaalsContact C-N 3.3Å; F232-Q234 PolarHBondContact O-N 2.88Å; Q234-I236 PolarHBondContact O-N 3.39Å
235C89.3Confident84.7Confident2 Ų240.1 Ų40.11%0.01422%0.217CC..THydrogen-bonded Turntrans-66-28.8172.8-63.30000111.8L194 S195 V211 C231 F232 L233 R301L194-C235 HydrophobicContact CB-CB 3.8Å; S195-C235 PolarHBondContact OG-SG 3.41Å; V211-C235 HydrophobicContact CG2-CB 4.27Å; C231-C235 PolarHBondContact O-N 3.17Å; C231-C235 PolarHBondContact O-SG 3.43Å; F232-C235 VanDerWaalsContact O-CB 3.23Å; F232-C235 WeakPolarHBondContact O-CB 3.33Å; F232-C235 PolarHBondContact O-N 2.87Å; F232-C235 VanDerWaalsContact O-N 3.13Å; L233-C235 PolarHBondContact O-N 3.1Å; L233-C235 VanDerWaalsContact O-N 3.15Å; C235-R301 PolarHBondContact O-NH2 3.42Å
236I88.2Confident84.3Confident2 Ų237.9 Ų37.91%0.0120%0.203CC..SBendtrans-78.4143.7-176.1-57.2161000109.5E204 I207 L208 V211 L233 Q234 P238 L241 L249 W262E204-I236 HydrophobicContact CG-CG2 4.45Å; I207-I236 HydrophobicContact CG2-CG1 4.23Å; L208-I236 HydrophobicContact CD1-CD1 3.62Å; V211-I236 HydrophobicContact CB-CD1 4.12Å; V211-I236 HydrophobicContact CB-CG1 4.35Å; V211-I236 HydrophobicContact CG1-CD1 3.8Å; V211-I236 HydrophobicContact CG1-CG1 4.4Å; V211-I236 HydrophobicContact CG2-CD1 4.32Å; V211-I236 HydrophobicContact CG2-CG1 4.03Å; L233-I236 HydrophobicContact CD2-CD1 4.25Å; L233-I236 WeakPolarHBondContact O-CB 3.47Å; L233-I236 PolarHBondContact O-N 3.32Å; Q234-I236 PolarHBondContact O-N 3.39Å; I236-P238 WeakPolarHBondContact O-CD 3.46Å; I236-L241 HydrophobicContact CG2-CD1 3.84Å; I236-L241 HydrophobicContact CG2-CD2 4.14Å; I236-L241 HydrophobicContact CG2-CG 4.14Å; I236-L249 HydrophobicContact CD1-CD1 4.1Å; I236-L249 HydrophobicContact CG2-CD2 4.44Å; I236-W262 HydrophobicContact CB-CH2 3.99Å; I236-W262 HydrophobicContact CB-CZ2 3.99Å; I236-W262 HydrophobicContact CG2-CH2 4.14Å; I236-W262 WeakPolarHBondContact O-CZ2 3.23Å
237R81.5Confident84.3Confident16 Ų1638.1 Ų38.16%0.0620%0.202CC..  trans-10791.2170.1-67.3152.6-175.6-148.55.3109.5S197 E204 G239 L240 L297 K299 P300 R301S197-R237 VanDerWaalsContact CA-NH2 3.31Å; S197-R237 PolarHBondContact OG-NH2 3.24Å; E204-R237 HydrophobicContact CG-CB 4.22Å; E204-R237 PolarHBondContact OE1-N 3.16Å; R237-G239 PolarHBondContact O-N 3.29Å; R237-L240 HydrophobicContact CB-CB 4.19Å; R237-L240 HydrophobicContact CB-CD1 3.93Å; R237-L240 HydrophobicContact CB-CG 3.91Å; R237-L240 HydrophobicContact CG-CD1 4.45Å; R237-L240 PolarHBondContact O-N 3.17Å; R237-L297 CarbonylContact C-O 3.6Å; R237-K299 WeakPolarHBondContact CD-O 3.5Å; R237-K299 PolarHBondContact NH1-O 3.38Å; R237-P300 PolarHBondContact NH1-O 3.36Å; R237-R301 VanDerWaalsContact NE-CZ 3.29Å; R237-R301 VanDerWaalsContact NH1-CA 3.29Å
238P76.7Confident84.4Confident1 Ų137.5 Ų37.51%0.00619%0.194CC..G310 helixtrans-44.4-42.1-178.1-40.243.9000115.2I236 L240 L241 L249 W262 F275 L297I236-P238 WeakPolarHBondContact O-CD 3.46Å; P238-L240 PolarHBondContact O-N 3.19Å; P238-L241 WeakPolarHBondContact O-CB 3.37Å; P238-L241 PolarHBondContact O-N 2.94Å; P238-L249 HydrophobicContact CG-CD2 4.32Å; P238-W262 HydrophobicContact CB-CH2 4.45Å; P238-W262 HydrophobicContact CB-CZ3 4.36Å; P238-W262 HydrophobicContact CG-CD2 4.25Å; P238-W262 HydrophobicContact CG-CE3 3.66Å; P238-W262 HydrophobicContact CG-CH2 3.12Å; P238-W262 HydrophobicContact CG-CZ2 3.44Å; P238-W262 VanDerWaalsContact CG-CZ2 3.44Å; P238-W262 HydrophobicContact CG-CZ3 3.22Å; P238-F275 HydrophobicContact CB-CE1 3.58Å; P238-F275 HydrophobicContact CB-CZ 3.65Å; P238-L297 HydrophobicContact CB-CD2 4Å; P238-L297 HydrophobicContact CG-CD2 3.61Å
239G70.2Confident84.4Confident17 Ų1737.1 Ų37.118%0.17519%0.191CC..G310 helixtrans-73.4-10-17700000114.4R237 L297 L298R237-G239 PolarHBondContact O-N 3.29Å; G239-L297 PolarHBondContact N-O 3.18Å; G239-L298 WeakPolarHBondContact O-CD2 3.44Å
240L74.2Confident84.3Confident60 Ų6037.8 Ų37.831%0.31420%0.195SC..G310 helixtrans-100.6-5.7174.7-57.1-172.5000113.4E204 R237 P238 K299 R301E204-L240 HydrophobicContact CB-CB 3.69Å; E204-L240 WeakPolarHBondContact CB-O 3.42Å; E204-L240 HydrophobicContact CG-CB 3.99Å; R237-L240 HydrophobicContact CB-CB 4.19Å; R237-L240 HydrophobicContact CB-CD1 3.93Å; R237-L240 HydrophobicContact CB-CG 3.91Å; R237-L240 HydrophobicContact CG-CD1 4.45Å; R237-L240 PolarHBondContact O-N 3.17Å; P238-L240 PolarHBondContact O-N 3.19Å; L240-K299 WeakPolarHBondContact CD1-O 3.38Å; L240-R301 HydrophobicContact CD1-CG 4.11Å
241L78.8Confident84.4Confident8 Ų839.1 Ų39.14%0.04220%0.204CC..SBendtrans-71.7148.7177.8-69172.7000111.3E204 D205 L208 I236 P238 Q246 L249E204-L241 HydrophobicContact CB-CD2 3.91Å; E204-L241 HydrophobicContact CB-CG 4.41Å; E204-L241 HydrophobicContact CG-CD2 3.76Å; E204-L241 HydrophobicContact CG-CG 4.15Å; D205-L241 WeakPolarHBondContact OD1-CD2 3.43Å; L208-L241 HydrophobicContact CB-CD2 3.85Å; L208-L241 HydrophobicContact CD2-CD1 4.42Å; L208-L241 HydrophobicContact CD2-CD2 4.08Å; I236-L241 HydrophobicContact CG2-CD1 3.84Å; I236-L241 HydrophobicContact CG2-CD2 4.14Å; I236-L241 HydrophobicContact CG2-CG 4.14Å; P238-L241 WeakPolarHBondContact O-CB 3.37Å; P238-L241 PolarHBondContact O-N 2.94Å; L241-Q246 HydrophobicContact CB-CG 3.74Å; L241-Q246 PolarHBondContact O-NE2 2.96Å; L241-L249 HydrophobicContact CD1-CB 4.16Å; L241-L249 HydrophobicContact CD1-CD2 3.38Å; L241-L249 HydrophobicContact CD1-CG 4.42Å
242S74.6Confident84.4Confident46 Ų4639.3 Ų39.332%0.32220%0.2SC..  trans-65.3167.9167.584.50000110.9D205 D244 G245 Q246D205-S242 PolarHBondContact OD1-N 2.96Å; D205-S242 PolarHBondContact OD1-OG 2.81Å; D205-S242 WeakPolarHBondContact OD2-CB 3.34Å; D205-S242 PolarHBondContact OD2-OG 3.34Å; S242-D244 PolarHBondContact O-N 2.8Å; S242-D244 PolarHBondContact OG-N 2.87Å; S242-G245 PolarHBondContact O-N 2.98Å; S242-G245 VanDerWaalsContact O-N 3.16Å; S242-G245 PolarHBondContact OG-N 3.22Å; S242-Q246 WeakPolarHBondContact O-CB 3.22Å; S242-Q246 VanDerWaalsContact O-CG 3.22Å; S242-Q246 WeakPolarHBondContact O-CG 3.34Å; S242-Q246 PolarHBondContact O-N 2.98Å
243L76.1Confident84.1Confident96 Ų9639.4 Ų39.450%0.50320%0.201SC..Hα-helixtrans-57.9-36.5174.5-69.1174.9000112.3K247L243-K247 VanDerWaalsContact O-CG 3.31Å; L243-K247 WeakPolarHBondContact O-CG 3.46Å; L243-K247 PolarHBondContact O-N 3.3Å; L243-K247 VanDerWaalsContact O-N 3.08Å
244D83.5Confident84Confident115 Ų11546.2 Ų46.262%0.61523%0.226SC*.Hα-helixtrans-74.5-38177.9-66.2-28000111.1S242 K247 K248S242-D244 PolarHBondContact O-N 2.8Å; S242-D244 PolarHBondContact OG-N 2.87Å; D244-K247 PolarHBondContact O-N 3.4Å; D244-K248 VanDerWaalsContact O-CB 3.24Å; D244-K248 WeakPolarHBondContact O-CB 3.42Å; D244-K248 PolarHBondContact O-N 2.87Å
245G86.3Confident84.2Confident2 Ų247.4 Ų47.42%0.02124%0.235CC..Hα-helixtrans-60.9-44.2171.300000112.6L208 S242 K248 L249L208-G245 WeakPolarHBondContact CD2-O 3.15Å; S242-G245 PolarHBondContact O-N 2.98Å; S242-G245 VanDerWaalsContact O-N 3.16Å; S242-G245 PolarHBondContact OG-N 3.22Å; G245-K248 PolarHBondContact O-N 3.41Å; G245-L249 WeakPolarHBondContact O-CB 3.12Å; G245-L249 PolarHBondContact O-N 3.14Å
246Q83.5Confident84.1Confident15 Ų1551.1 Ų51.17%0.0725%0.252CS..Hα-helixtrans-61.3-48.7176.4-70170.322.100111.3L241 S242 K248 L249 L250 F275L241-Q246 HydrophobicContact CB-CG 3.74Å; L241-Q246 PolarHBondContact O-NE2 2.96Å; S242-Q246 WeakPolarHBondContact O-CB 3.22Å; S242-Q246 VanDerWaalsContact O-CG 3.22Å; S242-Q246 WeakPolarHBondContact O-CG 3.34Å; S242-Q246 PolarHBondContact O-N 2.98Å; Q246-K248 PolarHBondContact O-N 3.1Å; Q246-L249 PolarHBondContact O-N 3.22Å; Q246-L250 WeakPolarHBondContact O-CB 3.26Å; Q246-L250 WeakPolarHBondContact O-CG 3.39Å; Q246-L250 PolarHBondContact O-N 3.07Å; Q246-F275 HydrophobicContact CB-CD1 4.4Å; Q246-F275 HydrophobicContact CB-CD2 4.3Å; Q246-F275 HydrophobicContact CB-CE1 4.36Å; Q246-F275 HydrophobicContact CB-CE2 4.25Å; Q246-F275 HydrophobicContact CB-CG 4.36Å; Q246-F275 HydrophobicContact CB-CZ 4.26Å; Q246-F275 HydrophobicContact CG-CD1 3.91Å; Q246-F275 HydrophobicContact CG-CE1 3.75Å; Q246-F275 HydrophobicContact CG-CE2 4.49Å; Q246-F275 HydrophobicContact CG-CG 4.35Å; Q246-F275 HydrophobicContact CG-CZ 4.04Å
247K87.1Confident83.9Confident121 Ų12151.5 Ų51.553%0.52625%0.254SS..Hα-helixtrans-58.2-48.2175.1-73.3170.9-173.3168.80111.3L243 D244 L249 L250 D251L243-K247 VanDerWaalsContact O-CG 3.31Å; L243-K247 WeakPolarHBondContact O-CG 3.46Å; L243-K247 PolarHBondContact O-N 3.3Å; L243-K247 VanDerWaalsContact O-N 3.08Å; D244-K247 PolarHBondContact O-N 3.4Å; K247-L249 VanDerWaalsContact C-N 3.31Å; K247-L249 PolarHBondContact O-N 3.3Å; K247-L250 PolarHBondContact O-N 3.44Å; K247-D251 WeakPolarHBondContact O-CB 3.28Å; K247-D251 VanDerWaalsContact O-CG 3.27Å; K247-D251 PolarHBondContact O-N 2.92Å
248K91.7Very high83.8Confident95 Ų9554.6 Ų54.641%0.41328%0.278SS..Hα-helixtrans-59.7-41.4-179.9-175.1178.5-173.8178.70112.4L208 N209 L212 D244 G245 Q246 Y252L208-K248 HydrophobicContact CD2-CB 4.19Å; L208-K248 HydrophobicContact CD2-CD 4.23Å; L208-K248 HydrophobicContact CD2-CG 4.35Å; N209-K248 PolarHBondContact OD1-NZ 3.04Å; L212-K248 HydrophobicContact CD1-CD 4.08Å; L212-K248 HydrophobicContact CD1-CG 4.01Å; D244-K248 VanDerWaalsContact O-CB 3.24Å; D244-K248 WeakPolarHBondContact O-CB 3.42Å; D244-K248 PolarHBondContact O-N 2.87Å; G245-K248 PolarHBondContact O-N 3.41Å; Q246-K248 PolarHBondContact O-N 3.1Å; K248-Y252 WeakPolarHBondContact O-CB 3.44Å; K248-Y252 PolarHBondContact O-N 3.22Å
249L91.3Very high84.1Confident0 Ų060.4 Ų60.40%031%0.305CS..Hα-helixtrans-65.9-46.7175.4171.763.8000111.9L208 L233 I236 P238 L241 G245 Q246 K247 Y252 W253 W262 F275L208-L249 HydrophobicContact CD1-CB 3.93Å; L208-L249 HydrophobicContact CD1-CD1 3.94Å; L208-L249 HydrophobicContact CD1-CG 4.46Å; L208-L249 HydrophobicContact CD2-CB 4.21Å; L233-L249 HydrophobicContact CD2-CD1 4.26Å; I236-L249 HydrophobicContact CD1-CD1 4.1Å; I236-L249 HydrophobicContact CG2-CD2 4.44Å; P238-L249 HydrophobicContact CG-CD2 4.32Å; L241-L249 HydrophobicContact CD1-CB 4.16Å; L241-L249 HydrophobicContact CD1-CD2 3.38Å; L241-L249 HydrophobicContact CD1-CG 4.42Å; G245-L249 WeakPolarHBondContact O-CB 3.12Å; G245-L249 PolarHBondContact O-N 3.14Å; Q246-L249 PolarHBondContact O-N 3.22Å; K247-L249 VanDerWaalsContact C-N 3.31Å; K247-L249 PolarHBondContact O-N 3.3Å; L249-Y252 PolarHBondContact O-N 3.01Å; L249-W253 WeakPolarHBondContact O-CB 3.45Å; L249-W253 PolarHBondContact O-N 3.14Å; L249-W262 HydrophobicContact CD1-CH2 4.04Å; L249-W262 HydrophobicContact CD1-CZ3 4.04Å; L249-W262 HydrophobicContact CD2-CH2 3.63Å; L249-W262 HydrophobicContact CD2-CZ3 3.49Å; L249-W262 VanDerWaalsContact CD2-CZ3 3.49Å; L249-W262 HydrophobicContact CG-CH2 4.37Å; L249-W262 HydrophobicContact CG-CZ3 4.11Å; L249-F275 HydrophobicContact CD2-CE2 4.45Å; L249-F275 HydrophobicContact CD2-CZ 4.03Å
250L88.7Confident84.5Confident20 Ų2060 Ų6011%0.10530%0.299CS..Hα-helixtrans-59.1-47.1175.6-77.6-177000111.5Q246 K247 Y252 W253 R254 Y268 M271 F275Q246-L250 WeakPolarHBondContact O-CB 3.26Å; Q246-L250 WeakPolarHBondContact O-CG 3.39Å; Q246-L250 PolarHBondContact O-N 3.07Å; K247-L250 PolarHBondContact O-N 3.44Å; L250-Y252 PolarHBondContact O-N 3.1Å; L250-W253 PolarHBondContact O-N 2.97Å; L250-R254 WeakPolarHBondContact O-CB 3.43Å; L250-R254 PolarHBondContact O-N 2.89Å; L250-Y268 HydrophobicContact CB-CE2 4.11Å; L250-Y268 HydrophobicContact CD2-CD2 4.1Å; L250-Y268 HydrophobicContact CD2-CE2 3.85Å; L250-Y268 HydrophobicContact CG-CE2 4.46Å; L250-M271 HydrophobicContact CD2-CB 4.06Å; L250-M271 HydrophobicContact CD2-CE 3.73Å; L250-M271 HydrophobicContact CD2-SD 4.45Å; L250-F275 HydrophobicContact CD1-CD2 3.74Å; L250-F275 HydrophobicContact CD1-CE2 4.3Å; L250-F275 HydrophobicContact CD2-CD2 3.74Å; L250-F275 HydrophobicContact CD2-CE2 3.7Å; L250-F275 HydrophobicContact CG-CD2 3.67Å; L250-F275 HydrophobicContact CG-CE2 3.71Å
251D90.5Very high84.6Confident82 Ų8262.9 Ų62.944%0.43931%0.309SS..Hα-helixtrans-62.8-43179.3-73.2-25.9000111.1K247 N255K247-D251 WeakPolarHBondContact O-CB 3.28Å; K247-D251 VanDerWaalsContact O-CG 3.27Å; K247-D251 PolarHBondContact O-N 2.92Å; D251-N255 VanDerWaalsContact O-CB 3.24Å; D251-N255 WeakPolarHBondContact O-CB 3.29Å; D251-N255 PolarHBondContact O-N 2.86Å; D251-N255 VanDerWaalsContact O-N 3.08Å; D251-N255 PolarHBondContact O-ND2 2.87Å
252Y91Very high84.2Confident37 Ų3763 Ų6315%0.14531%0.308CS..Hα-helixtrans-60.9-51.6175.4175-97.7000111.5L212 L215 L233 K248 L249 L250 N255 Q256 H257L212-Y252 HydrophobicContact CD2-CD1 3.51Å; L212-Y252 HydrophobicContact CD2-CD2 3.54Å; L212-Y252 HydrophobicContact CD2-CE1 3.85Å; L212-Y252 HydrophobicContact CD2-CE2 3.87Å; L212-Y252 HydrophobicContact CD2-CG 3.35Å; L215-Y252 WeakPolarHBondContact CB-OH 3.44Å; L215-Y252 HydrophobicContact CD1-CE1 3.79Å; L215-Y252 WeakPolarHBondContact CD1-OH 3.47Å; L233-Y252 HydrophobicContact CD2-CD1 4.39Å; L233-Y252 HydrophobicContact CD2-CE1 4.2Å; K248-Y252 WeakPolarHBondContact O-CB 3.44Å; K248-Y252 PolarHBondContact O-N 3.22Å; L249-Y252 PolarHBondContact O-N 3.01Å; L250-Y252 PolarHBondContact O-N 3.1Å; Y252-N255 PolarHBondContact O-N 3.32Å; Y252-Q256 HydrophobicContact CD2-CG 4.06Å; Y252-Q256 HydrophobicContact CE2-CB 4.32Å; Y252-Q256 HydrophobicContact CE2-CG 3.88Å; Y252-Q256 WeakPolarHBondContact O-CB 3.45Å; Y252-Q256 WeakPolarHBondContact O-CG 3.43Å; Y252-Q256 PolarHBondContact O-N 3.35Å; Y252-H257 AromaticContact CE1-CD2 3.76Å; Y252-H257 AromaticContact CZ-CD2 3.91Å; Y252-H257 PolarHBondContact OH-NE2 3.25Å
253W87.4Confident83.9Confident2 Ų263.9 Ų63.91%0.00831%0.307CS..Hα-helixtrans-60.2-54-179.9-177.4-30.8000110.5L249 L250 N255 Q256 H257 S258 L260 W262 M271L249-W253 WeakPolarHBondContact O-CB 3.45Å; L249-W253 PolarHBondContact O-N 3.14Å; L250-W253 PolarHBondContact O-N 2.97Å; W253-N255 PolarHBondContact O-N 3.41Å; W253-Q256 PolarHBondContact O-N 3.14Å; W253-H257 VanDerWaalsContact CD1-C 3.49Å; W253-H257 PolarHBondContact NE1-O 3.15Å; W253-H257 CarbonylContact O-C 3.51Å; W253-H257 WeakPolarHBondContact O-CA 3.34Å; W253-H257 PolarHBondContact O-N 3.34Å; W253-S258 PolarHBondContact O-N 3.25Å; W253-L260 WeakPolarHBondContact CZ2-O 3.35Å; W253-L260 PolarHBondContact NE1-O 3.47Å; W253-L260 VanDerWaalsContact NE1-O 3.16Å; W253-W262 HydrophobicContact CE3-CE3 4.14Å; W253-W262 HydrophobicContact CE3-CZ3 4.35Å; W253-W262 HydrophobicContact CH2-CB 3.22Å; W253-W262 HydrophobicContact CH2-CE3 4.29Å; W253-W262 HydrophobicContact CH2-CG 4.33Å; W253-W262 HydrophobicContact CZ2-CB 4.38Å; W253-W262 HydrophobicContact CZ3-CB 3.33Å; W253-W262 AromaticContact CZ3-CD2 3.89Å; W253-W262 HydrophobicContact CZ3-CD2 3.89Å; W253-W262 AromaticContact CZ3-CE3 3.37Å; W253-W262 HydrophobicContact CZ3-CE3 3.37Å; W253-W262 AromaticContact CZ3-CG 4Å; W253-W262 HydrophobicContact CZ3-CG 4Å; W253-W262 HydrophobicContact CZ3-CZ3 4.01Å; W253-M271 HydrophobicContact CD2-CE 3.46Å; W253-M271 VanDerWaalsContact CD2-CE 3.46Å; W253-M271 HydrophobicContact CE3-CE 3Å; W253-M271 HydrophobicContact CE3-SD 3.86Å; W253-M271 HydrophobicContact CG-CE 4.25Å; W253-M271 HydrophobicContact CH2-CE 3.37Å; W253-M271 HydrophobicContact CH2-CG 4.26Å; W253-M271 HydrophobicContact CH2-SD 3.87Å; W253-M271 HydrophobicContact CZ2-CE 3.88Å; W253-M271 HydrophobicContact CZ3-CE 2.97Å; W253-M271 HydrophobicContact CZ3-CG 4.33Å; W253-M271 HydrophobicContact CZ3-SD 3.36Å; W253-M271 WeakPolarHBondContact CZ3-SD 3.2Å
254R87.4Confident83.2Confident150 Ų15062.1 Ų62.157%0.56631%0.312SS*.Hα-helixtrans-52.2-44.1-179.2-179.5-177.4173.1-167.2-1.2112.3L250 Y268L250-R254 WeakPolarHBondContact O-CB 3.43Å; L250-R254 PolarHBondContact O-N 2.89Å; R254-Y268 HydrophobicContact CB-CD2 4.04Å; R254-Y268 HydrophobicContact CB-CE2 3.73Å; R254-Y268 HydrophobicContact CG-CE2 4.27Å
255N90Very high82.4Confident109 Ų10963.2 Ų63.258%0.58331%0.311SS*.Hα-helixtrans-82.8-22.2-173.7-67.7-34.3000113.8D251 Y252 W253D251-N255 VanDerWaalsContact O-CB 3.24Å; D251-N255 WeakPolarHBondContact O-CB 3.29Å; D251-N255 PolarHBondContact O-N 2.86Å; D251-N255 VanDerWaalsContact O-N 3.08Å; D251-N255 PolarHBondContact O-ND2 2.87Å; Y252-N255 PolarHBondContact O-N 3.32Å; W253-N255 PolarHBondContact O-N 3.41Å
256Q87.1Confident81.6Confident79 Ų7964 Ų6437%0.36931%0.314SS..Hα-helixtrans-119.1-28.6-171.7-58.1-61.7-66.900114.5Y252 W253Y252-Q256 HydrophobicContact CD2-CG 4.06Å; Y252-Q256 HydrophobicContact CE2-CB 4.32Å; Y252-Q256 HydrophobicContact CE2-CG 3.88Å; Y252-Q256 WeakPolarHBondContact O-CB 3.45Å; Y252-Q256 WeakPolarHBondContact O-CG 3.43Å; Y252-Q256 PolarHBondContact O-N 3.35Å; W253-Q256 PolarHBondContact O-N 3.14Å
257H84.6Confident81.4Confident11 Ų1165 Ų655%0.05132%0.322CS..  trans-149.237.2-164.3-65.4-57.6000113.8Y224 Y252 W253 E259 L260Y224-H257 AromaticContact CZ-CE1 3.94Å; Y224-H257 AromaticContact CZ-NE2 3.82Å; Y224-H257 PolarHBondContact OH-CE1 3.49Å; Y224-H257 VanDerWaalsContact OH-CE1 3.28Å; Y224-H257 PolarHBondContact OH-NE2 3.31Å; Y252-H257 AromaticContact CE1-CD2 3.76Å; Y252-H257 AromaticContact CZ-CD2 3.91Å; Y252-H257 PolarHBondContact OH-NE2 3.25Å; W253-H257 VanDerWaalsContact CD1-C 3.49Å; W253-H257 PolarHBondContact NE1-O 3.15Å; W253-H257 CarbonylContact O-C 3.51Å; W253-H257 WeakPolarHBondContact O-CA 3.34Å; W253-H257 PolarHBondContact O-N 3.34Å; H257-E259 IonicContact ND1-OE1 2.61Å; H257-E259 PolarHBondContact O-N 2.75Å; H257-L260 HydrophobicContact CB-CB 4.28Å; H257-L260 HydrophobicContact CB-CD1 3.76Å; H257-L260 HydrophobicContact CB-CG 3.89Å; H257-L260 PolarHBondContact O-N 3Å
258S80Confident81Confident81 Ų8161 Ų6157%0.56630%0.304SS*.THydrogen-bonded Turntrans-53.6-25.1-177.759.30000114.7W253W253-S258 PolarHBondContact O-N 3.25Å
259E82.4Confident80.5Confident123 Ų12361.9 Ų61.958%0.57531%0.309SS*.THydrogen-bonded Turntrans-78.3-25.8179.267-74.8175.700114.1H257 K261H257-E259 IonicContact ND1-OE1 2.61Å; H257-E259 PolarHBondContact O-N 2.75Å; E259-K261 PolarHBondContact O-N 3.1Å
260L78.9Confident79.9Confident8 Ų865.2 Ų65.24%0.04233%0.327CS..PPolyproline II helixtrans-76.5124.4-178.3-59.1-171.4000109.6E226 I229 Q230 W253 H257E226-L260 VanDerWaalsContact CD-CD2 3.48Å; E226-L260 HydrophobicContact CG-CD2 3.5Å; E226-L260 WeakPolarHBondContact OE1-CD2 3.33Å; I229-L260 HydrophobicContact CB-CD1 4.31Å; I229-L260 HydrophobicContact CG2-CD1 3.7Å; Q230-L260 HydrophobicContact CG-CD1 4.32Å; W253-L260 WeakPolarHBondContact CZ2-O 3.35Å; W253-L260 PolarHBondContact NE1-O 3.47Å; W253-L260 VanDerWaalsContact NE1-O 3.16Å; H257-L260 HydrophobicContact CB-CB 4.28Å; H257-L260 HydrophobicContact CB-CD1 3.76Å; H257-L260 HydrophobicContact CB-CG 3.89Å; H257-L260 PolarHBondContact O-N 3Å
261K75Confident79.3Confident120 Ų12064.3 Ų64.352%0.52232%0.323SS..PPolyproline II helixtrans-92.6122.1174.4-63.4-174.1180-174.40110.5E259 G264E259-K261 PolarHBondContact O-N 3.1Å; K261-G264 PolarHBondContact O-N 3.1Å
262W70.5Confident78.7Confident10 Ų1062.7 Ų62.74%0.03831%0.312CS..BIsolated β-bridgetrans-73133.8177.6-166.80.1000111.2L233 I236 P238 L249 W253 G264 K265 L266 M271L233-W262 WeakPolarHBondContact O-CZ2 3.32Å; I236-W262 HydrophobicContact CB-CH2 3.99Å; I236-W262 HydrophobicContact CB-CZ2 3.99Å; I236-W262 HydrophobicContact CG2-CH2 4.14Å; I236-W262 WeakPolarHBondContact O-CZ2 3.23Å; P238-W262 HydrophobicContact CB-CH2 4.45Å; P238-W262 HydrophobicContact CB-CZ3 4.36Å; P238-W262 HydrophobicContact CG-CD2 4.25Å; P238-W262 HydrophobicContact CG-CE3 3.66Å; P238-W262 HydrophobicContact CG-CH2 3.12Å; P238-W262 HydrophobicContact CG-CZ2 3.44Å; P238-W262 VanDerWaalsContact CG-CZ2 3.44Å; P238-W262 HydrophobicContact CG-CZ3 3.22Å; L249-W262 HydrophobicContact CD1-CH2 4.04Å; L249-W262 HydrophobicContact CD1-CZ3 4.04Å; L249-W262 HydrophobicContact CD2-CH2 3.63Å; L249-W262 HydrophobicContact CD2-CZ3 3.49Å; L249-W262 VanDerWaalsContact CD2-CZ3 3.49Å; L249-W262 HydrophobicContact CG-CH2 4.37Å; L249-W262 HydrophobicContact CG-CZ3 4.11Å; W253-W262 HydrophobicContact CE3-CE3 4.14Å; W253-W262 HydrophobicContact CE3-CZ3 4.35Å; W253-W262 HydrophobicContact CH2-CB 3.22Å; W253-W262 HydrophobicContact CH2-CE3 4.29Å; W253-W262 HydrophobicContact CH2-CG 4.33Å; W253-W262 HydrophobicContact CZ2-CB 4.38Å; W253-W262 HydrophobicContact CZ3-CB 3.33Å; W253-W262 AromaticContact CZ3-CD2 3.89Å; W253-W262 HydrophobicContact CZ3-CD2 3.89Å; W253-W262 AromaticContact CZ3-CE3 3.37Å; W253-W262 HydrophobicContact CZ3-CE3 3.37Å; W253-W262 AromaticContact CZ3-CG 4Å; W253-W262 HydrophobicContact CZ3-CG 4Å; W253-W262 HydrophobicContact CZ3-CZ3 4.01Å; W262-G264 PolarHBondContact O-N 2.85Å; W262-K265 PolarHBondContact O-N 3.44Å; W262-K265 VanDerWaalsContact O-N 3.11Å; W262-L266 PolarHBondContact N-O 3.1Å; W262-L266 PolarHBondContact O-N 3.01Å; W262-L266 VanDerWaalsContact O-N 3.11Å; W262-M271 HydrophobicContact CE3-SD 3.39Å; W262-M271 HydrophobicContact CZ3-SD 3.72Å
263F69.6Low78Confident65 Ų6565.5 Ų65.529%0.28533%0.333SS..THydrogen-bonded Turntrans54.721.2-172-65.6-74.3000112.4K265 L296 L297F263-K265 PolarHBondContact O-N 2.92Å; F263-K265 VanDerWaalsContact O-N 3.11Å; F263-L296 HydrophobicContact CD1-CD1 4.43Å; F263-L296 HydrophobicContact CE1-CD1 4.31Å; F263-L296 HydrophobicContact CZ-CB 4.43Å; F263-L297 HydrophobicContact CD2-CD2 3.99Å; F263-L297 HydrophobicContact CE2-CD2 3.6Å; F263-L297 HydrophobicContact CE2-CG 4.42Å
264G61.2Low77.2Confident59 Ų5966.5 Ų66.561%0.60834%0.338SS*.THydrogen-bonded Turntrans64.75.3-175.600000115.1K261 W262K261-G264 PolarHBondContact O-N 3.1Å; W262-G264 PolarHBondContact O-N 2.85Å
265K65.8Low76.4Confident138 Ų13860 Ų6060%0.631%0.314SS*.THydrogen-bonded Turntrans-127-27.5-169.1-69.8-175.5-178.8-176.80114.9W262 F263 L293W262-K265 PolarHBondContact O-N 3.44Å; W262-K265 VanDerWaalsContact O-N 3.11Å; F263-K265 PolarHBondContact O-N 2.92Å; F263-K265 VanDerWaalsContact O-N 3.11Å; K265-L293 HydrophobicContact CB-CD1 4.26Å; K265-L293 HydrophobicContact CD-CD1 4.37Å
266L70.8Confident75.3Confident18 Ų1863.6 Ų63.69%0.09432%0.319CS..BIsolated β-bridgetrans-103.9124.5-177.1-64.1178.1000111.2W262 D270 M271 L293 L297W262-L266 PolarHBondContact N-O 3.1Å; W262-L266 PolarHBondContact O-N 3.01Å; W262-L266 VanDerWaalsContact O-N 3.11Å; L266-D270 HydrophobicContact CB-CB 4.14Å; L266-D270 HydrophobicContact CD2-CB 3.68Å; L266-M271 HydrophobicContact CB-CG 4.29Å; L266-M271 HydrophobicContact CD1-CG 4.25Å; L266-L293 HydrophobicContact CD1-CD2 3.51Å; L266-L293 HydrophobicContact CD2-CD1 4.02Å; L266-L293 HydrophobicContact CD2-CD2 4.05Å; L266-L293 HydrophobicContact CG-CD1 4.36Å; L266-L293 HydrophobicContact CG-CD2 3.63Å; L266-L297 HydrophobicContact CD1-CD1 3.88Å
267T77.4Confident74Confident38 Ų3863.2 Ų63.223%0.23333%0.325CS..  trans-77.1173163.676.40000111.1E269 D270 M271T267-E269 VanDerWaalsContact C-N 3.27Å; T267-E269 VanDerWaalsContact CB-OE2 3.26Å; T267-E269 WeakPolarHBondContact CB-OE2 3.43Å; T267-E269 PolarHBondContact O-N 3.15Å; T267-E269 PolarHBondContact OG1-N 2.9Å; T267-E269 PolarHBondContact OG1-OE2 3.11Å; T267-D270 PolarHBondContact N-OD2 3.31Å; T267-D270 PolarHBondContact O-N 3.19Å; T267-D270 PolarHBondContact OG1-N 3.04Å; T267-D270 VanDerWaalsContact OG1-N 3.15Å; T267-D270 PolarHBondContact OG1-OD2 3.36Å; T267-M271 PolarHBondContact O-N 3.36Å
268Y79.3Confident72.4Confident35 Ų3563.8 Ų63.814%0.13733%0.328CS..Hα-helixtrans-56.7-43.3170.2169.7-91.3000111.3L250 R254 M271 E272L250-Y268 HydrophobicContact CB-CE2 4.11Å; L250-Y268 HydrophobicContact CD2-CD2 4.1Å; L250-Y268 HydrophobicContact CD2-CE2 3.85Å; L250-Y268 HydrophobicContact CG-CE2 4.46Å; R254-Y268 HydrophobicContact CB-CD2 4.04Å; R254-Y268 HydrophobicContact CB-CE2 3.73Å; R254-Y268 HydrophobicContact CG-CE2 4.27Å; Y268-M271 WeakPolarHBondContact O-CB 3.5Å; Y268-M271 PolarHBondContact O-N 2.92Å; Y268-E272 HydrophobicContact CE1-CB 4.42Å; Y268-E272 WeakPolarHBondContact CE1-OE2 3.5Å; Y268-E272 WeakPolarHBondContact O-CB 3.45Å; Y268-E272 PolarHBondContact O-N 3.27Å
269E81.4Confident70.6Confident114 Ų11464.6 Ų64.653%0.53333%0.332SS..Hα-helixtrans-64.1-42.2177.8-58.875.6-162.700111.2T267 M271 E272 V273T267-E269 VanDerWaalsContact C-N 3.27Å; T267-E269 VanDerWaalsContact CB-OE2 3.26Å; T267-E269 WeakPolarHBondContact CB-OE2 3.43Å; T267-E269 PolarHBondContact O-N 3.15Å; T267-E269 PolarHBondContact OG1-N 2.9Å; T267-E269 PolarHBondContact OG1-OE2 3.11Å; E269-M271 VanDerWaalsContact C-N 3.28Å; E269-M271 PolarHBondContact O-N 2.82Å; E269-E272 PolarHBondContact O-N 3.17Å; E269-V273 WeakPolarHBondContact O-CB 3.32Å; E269-V273 VanDerWaalsContact O-CG2 3.25Å; E269-V273 WeakPolarHBondContact O-CG2 3.23Å; E269-V273 PolarHBondContact O-N 3.11Å
270D78.1Confident68.6Low70 Ų7065.4 Ų65.437%0.37434%0.34SS..Hα-helixtrans-61.2-40.1175.9-63.6-40.8000111.3L266 T267 F274L266-D270 HydrophobicContact CB-CB 4.14Å; L266-D270 HydrophobicContact CD2-CB 3.68Å; T267-D270 PolarHBondContact N-OD2 3.31Å; T267-D270 PolarHBondContact O-N 3.19Å; T267-D270 PolarHBondContact OG1-N 3.04Å; T267-D270 VanDerWaalsContact OG1-N 3.15Å; T267-D270 PolarHBondContact OG1-OD2 3.36Å; D270-F274 WeakPolarHBondContact O-CB 3.36Å; D270-F274 PolarHBondContact O-N 2.9Å
271M77.1Confident67Low2 Ų268.5 Ų68.51%0.0137%0.373CS..Hα-helixtrans-68.6-41.1174.8-88.7-150.6-56.500113.2L250 W253 W262 L266 T267 Y268 E269 V273 F274 F275L250-M271 HydrophobicContact CD2-CB 4.06Å; L250-M271 HydrophobicContact CD2-CE 3.73Å; L250-M271 HydrophobicContact CD2-SD 4.45Å; W253-M271 HydrophobicContact CD2-CE 3.46Å; W253-M271 VanDerWaalsContact CD2-CE 3.46Å; W253-M271 HydrophobicContact CE3-CE 3Å; W253-M271 HydrophobicContact CE3-SD 3.86Å; W253-M271 HydrophobicContact CG-CE 4.25Å; W253-M271 HydrophobicContact CH2-CE 3.37Å; W253-M271 HydrophobicContact CH2-CG 4.26Å; W253-M271 HydrophobicContact CH2-SD 3.87Å; W253-M271 HydrophobicContact CZ2-CE 3.88Å; W253-M271 HydrophobicContact CZ3-CE 2.97Å; W253-M271 HydrophobicContact CZ3-CG 4.33Å; W253-M271 HydrophobicContact CZ3-SD 3.36Å; W253-M271 WeakPolarHBondContact CZ3-SD 3.2Å; W262-M271 HydrophobicContact CE3-SD 3.39Å; W262-M271 HydrophobicContact CZ3-SD 3.72Å; L266-M271 HydrophobicContact CB-CG 4.29Å; L266-M271 HydrophobicContact CD1-CG 4.25Å; T267-M271 PolarHBondContact O-N 3.36Å; Y268-M271 WeakPolarHBondContact O-CB 3.5Å; Y268-M271 PolarHBondContact O-N 2.92Å; E269-M271 VanDerWaalsContact C-N 3.28Å; E269-M271 PolarHBondContact O-N 2.82Å; M271-V273 VanDerWaalsContact C-N 3.34Å; M271-F274 CarbonylContact O-C 3.58Å; M271-F274 WeakPolarHBondContact O-CB 3.29Å; M271-F274 PolarHBondContact O-N 3.42Å; M271-F275 WeakPolarHBondContact O-CB 3.45Å; M271-F275 WeakPolarHBondContact O-CD2 3.21Å; M271-F275 WeakPolarHBondContact O-CG 3.48Å; M271-F275 PolarHBondContact O-N 2.88Å; M271-F275 HydrophobicContact SD-CE2 4.24Å
272E76.8Confident65.3Low47 Ų4764.4 Ų64.422%0.2237%0.366CS..Hα-helixtrans-63.7-44.6176.9-177.2177.6-163.200110Y268 E269 F275 R276Y268-E272 HydrophobicContact CE1-CB 4.42Å; Y268-E272 WeakPolarHBondContact CE1-OE2 3.5Å; Y268-E272 WeakPolarHBondContact O-CB 3.45Å; Y268-E272 PolarHBondContact O-N 3.27Å; E269-E272 PolarHBondContact O-N 3.17Å; E272-F275 PolarHBondContact O-N 3.28Å; E272-R276 VanDerWaalsContact O-CB 3.23Å; E272-R276 WeakPolarHBondContact O-CB 3.38Å; E272-R276 WeakPolarHBondContact O-CG 2.98Å; E272-R276 PolarHBondContact O-N 3.23Å; E272-R276 IonicContact OE1-CZ 3.54Å; E272-R276 IonicContact OE1-NE 3.07Å; E272-R276 IonicContact OE1-NH1 3.04Å; E272-R276 IonicContact OE1-NH2 2.94Å; E272-R276 PolarHBondContact OE1-NH2 2.89Å
273V76.2Confident63.6Low97 Ų9766.4 Ų66.459%0.58838%0.376SS*.Hα-helixtrans-61.2-45.6171.8171.90000110.3E269 M271 R276 S277E269-V273 WeakPolarHBondContact O-CB 3.32Å; E269-V273 VanDerWaalsContact O-CG2 3.25Å; E269-V273 WeakPolarHBondContact O-CG2 3.23Å; E269-V273 PolarHBondContact O-N 3.11Å; M271-V273 VanDerWaalsContact C-N 3.34Å; V273-R276 PolarHBondContact O-N 3.25Å; V273-S277 VanDerWaalsContact O-CB 3.24Å; V273-S277 WeakPolarHBondContact O-CB 3.4Å; V273-S277 PolarHBondContact O-N 3.15Å; V273-S277 PolarHBondContact O-OG 3.13Å
274F71.7Confident62.3Low23 Ų2367.2 Ų67.210%0.10138%0.38CS..Hα-helixtrans-57.6-53177175.1-100000110.8D270 M271 R276 S277 I278 L297D270-F274 WeakPolarHBondContact O-CB 3.36Å; D270-F274 PolarHBondContact O-N 2.9Å; M271-F274 CarbonylContact O-C 3.58Å; M271-F274 WeakPolarHBondContact O-CB 3.29Å; M271-F274 PolarHBondContact O-N 3.42Å; F274-R276 PolarHBondContact O-N 3.44Å; F274-S277 WeakPolarHBondContact O-CB 3.21Å; F274-S277 PolarHBondContact O-N 3.01Å; F274-S277 VanDerWaalsContact O-N 3.13Å; F274-S277 PolarHBondContact O-OG 3.42Å; F274-I278 HydrophobicContact CD1-CD1 4.31Å; F274-I278 HydrophobicContact CE1-CD1 3.95Å; F274-I278 HydrophobicContact CZ-CD1 4.43Å; F274-I278 WeakPolarHBondContact O-CG1 3.24Å; F274-I278 PolarHBondContact O-N 2.91Å; F274-L297 HydrophobicContact CD2-CD1 4.5Å; F274-L297 HydrophobicContact CE1-CD1 4.02Å; F274-L297 HydrophobicContact CE2-CD1 4Å; F274-L297 HydrophobicContact CZ-CB 4.22Å; F274-L297 HydrophobicContact CZ-CD1 3.75Å
275F70.6Confident61Low13 Ų1370 Ų706%0.05739%0.389CS..Hα-helixtrans-64.9-38.2178.2-68.7-37.7000113P238 Q246 L249 L250 M271 E272 S277 I278P238-F275 HydrophobicContact CB-CE1 3.58Å; P238-F275 HydrophobicContact CB-CZ 3.65Å; Q246-F275 HydrophobicContact CB-CD1 4.4Å; Q246-F275 HydrophobicContact CB-CD2 4.3Å; Q246-F275 HydrophobicContact CB-CE1 4.36Å; Q246-F275 HydrophobicContact CB-CE2 4.25Å; Q246-F275 HydrophobicContact CB-CG 4.36Å; Q246-F275 HydrophobicContact CB-CZ 4.26Å; Q246-F275 HydrophobicContact CG-CD1 3.91Å; Q246-F275 HydrophobicContact CG-CE1 3.75Å; Q246-F275 HydrophobicContact CG-CE2 4.49Å; Q246-F275 HydrophobicContact CG-CG 4.35Å; Q246-F275 HydrophobicContact CG-CZ 4.04Å; L249-F275 HydrophobicContact CD2-CE2 4.45Å; L249-F275 HydrophobicContact CD2-CZ 4.03Å; L250-F275 HydrophobicContact CD1-CD2 3.74Å; L250-F275 HydrophobicContact CD1-CE2 4.3Å; L250-F275 HydrophobicContact CD2-CD2 3.74Å; L250-F275 HydrophobicContact CD2-CE2 3.7Å; L250-F275 HydrophobicContact CG-CD2 3.67Å; L250-F275 HydrophobicContact CG-CE2 3.71Å; M271-F275 WeakPolarHBondContact O-CB 3.45Å; M271-F275 WeakPolarHBondContact O-CD2 3.21Å; M271-F275 WeakPolarHBondContact O-CG 3.48Å; M271-F275 PolarHBondContact O-N 2.88Å; M271-F275 HydrophobicContact SD-CE2 4.24Å; E272-F275 PolarHBondContact O-N 3.28Å; F275-S277 VanDerWaalsContact C-N 3.27Å; F275-S277 PolarHBondContact O-N 3.5Å; F275-I278 HydrophobicContact CD1-CD1 3.84Å; F275-I278 VanDerWaalsContact O-CB 3.29Å; F275-I278 WeakPolarHBondContact O-CB 3.37Å; F275-I278 PolarHBondContact O-N 3.04Å
276R65.7Low59.8Low184 Ų18472.6 Ų72.669%0.69440%0.4SS*.Hα-helixtrans-66.9-29.6173.1-75.5176.6176.7179.41.6112.7E272 V273 F274 I278E272-R276 VanDerWaalsContact O-CB 3.23Å; E272-R276 WeakPolarHBondContact O-CB 3.38Å; E272-R276 WeakPolarHBondContact O-CG 2.98Å; E272-R276 PolarHBondContact O-N 3.23Å; E272-R276 IonicContact OE1-CZ 3.54Å; E272-R276 IonicContact OE1-NE 3.07Å; E272-R276 IonicContact OE1-NH1 3.04Å; E272-R276 IonicContact OE1-NH2 2.94Å; E272-R276 PolarHBondContact OE1-NH2 2.89Å; V273-R276 PolarHBondContact O-N 3.25Å; F274-R276 PolarHBondContact O-N 3.44Å; R276-I278 PolarHBondContact O-N 2.87Å
277S60.6Low58.4Low72 Ų7274.7 Ų74.750%0.50342%0.417SS..THydrogen-bonded Turntrans-74.1-6.8173.480.80000112.9V273 F274 F275 P279V273-S277 VanDerWaalsContact O-CB 3.24Å; V273-S277 WeakPolarHBondContact O-CB 3.4Å; V273-S277 PolarHBondContact O-N 3.15Å; V273-S277 PolarHBondContact O-OG 3.13Å; F274-S277 WeakPolarHBondContact O-CB 3.21Å; F274-S277 PolarHBondContact O-N 3.01Å; F274-S277 VanDerWaalsContact O-N 3.13Å; F274-S277 PolarHBondContact O-OG 3.42Å; F275-S277 VanDerWaalsContact C-N 3.27Å; F275-S277 PolarHBondContact O-N 3.5Å; S277-P279 WeakPolarHBondContact O-CD 3.44Å
278I52.1Low56.7Low22 Ų2278.8 Ų78.811%0.11344%0.444CS..SBendtrans-89.8100.8170-55.6171.4000107.9F274 F275 R276F274-I278 HydrophobicContact CD1-CD1 4.31Å; F274-I278 HydrophobicContact CE1-CD1 3.95Å; F274-I278 HydrophobicContact CZ-CD1 4.43Å; F274-I278 WeakPolarHBondContact O-CG1 3.24Å; F274-I278 PolarHBondContact O-N 2.91Å; F275-I278 HydrophobicContact CD1-CD1 3.84Å; F275-I278 VanDerWaalsContact O-CB 3.29Å; F275-I278 WeakPolarHBondContact O-CB 3.37Å; F275-I278 PolarHBondContact O-N 3.04Å; R276-I278 PolarHBondContact O-N 2.87Å
279P41.4Very low54.8Low98 Ų9885 Ų8564%0.63648%0.479SS*.  trans-82127.2173.5-123.1000108.3S277 G281 G282S277-P279 WeakPolarHBondContact O-CD 3.44Å; P279-G281 VanDerWaalsContact C-N 3.31Å; P279-G281 PolarHBondContact O-N 3.03Å; P279-G282 PolarHBondContact O-N 2.79Å; P279-G282 VanDerWaalsContact O-N 3.14Å
280N40.9Very low53Low141 Ų14180.4 Ų80.475%0.75446%0.46SS*.THydrogen-bonded Turntrans37.349.1165.8-65.6-19.6000116.2
281G44.6Very low51.6Low72 Ų7280.5 Ų80.574%0.74247%0.466SS*.THydrogen-bonded Turntrans76.416.9171.300000117.2P279P279-G281 VanDerWaalsContact C-N 3.31Å; P279-G281 PolarHBondContact O-N 3.03Å
282G39.8Very low50.2Low35 Ų3587.5 Ų87.536%0.36150%0.499SS..  trans-80.3169.7-172.400000117.7P279P279-G282 PolarHBondContact O-N 2.79Å; P279-G282 VanDerWaalsContact O-N 3.14Å
283I34.4Very low48.8Very low51 Ų5187.4 Ų87.426%0.26250%0.499SS..  trans-101.588.916822.9171.4000109.7C285 C365I283-C285 PolarHBondContact O-N 2.9Å; I283-C365 HydrophobicContact CD1-CB 3.83Å; I283-C365 HydrophobicContact CG1-CB 3.74Å
284F42.3Very low47.7Very low83 Ų8384.7 Ų84.736%0.36448%0.481SS..  trans58.541.4144.3-48.5-61.6000123.3K286 L298F284-K286 PolarHBondContact O-N 2.79Å; F284-K286 VanDerWaalsContact O-N 3.14Å; F284-L298 HydrophobicContact CD1-CD1 4.19Å; F284-L298 HydrophobicContact CD2-CD1 4.3Å; F284-L298 HydrophobicContact CE1-CD1 3.37Å; F284-L298 HydrophobicContact CE1-CD2 4.2Å; F284-L298 HydrophobicContact CE1-CG 4.37Å; F284-L298 HydrophobicContact CE2-CD1 3.48Å; F284-L298 VanDerWaalsContact CE2-CD1 3.48Å; F284-L298 HydrophobicContact CE2-CD2 3.98Å; F284-L298 HydrophobicContact CE2-CG 4.24Å; F284-L298 HydrophobicContact CZ-CD1 3.02Å; F284-L298 HydrophobicContact CZ-CD2 3.33Å; F284-L298 HydrophobicContact CZ-CG 3.73Å
285C34.9Very low47Very low118 Ų11887.4 Ų87.480%0.79750%0.496SS*.  trans-8198.8168.3-1340000111.5I283I283-C285 PolarHBondContact O-N 2.9Å
286K39.7Very low46.5Very low191 Ų19191.5 Ų91.583%0.8352%0.517SS*.SBendtrans102.562.3153.4-52.3176-177.1-179.30120.1F284F284-K286 PolarHBondContact O-N 2.79Å; F284-K286 VanDerWaalsContact O-N 3.14Å
287S41.1Very low46.4Very low63 Ų6382.8 Ų82.844%0.44149%0.485SS..  trans-147.3123.8149.5-179.50000113.2
288P41.9Very low46.4Very low124 Ų12480.8 Ų80.881%0.80547%0.468SS*.G310 helixtrans-76.9-19.2179.823.7-25.7000114.9A290P288-A290 VanDerWaalsContact C-N 3.26Å; P288-A290 PolarHBondContact O-N 2.94Å
289L40.5Very low47.3Very low165 Ų16584.6 Ų84.686%0.86448%0.484SS*.G310 helixtrans-77.8-7.7-179.3-86.3156.8000114
290A42.8Very low48.7Very low18 Ų1880.5 Ų80.515%0.14946%0.457CS..G310 helixtrans-99.9-6.9-165.300000114.8P288 Q292 L293 Q294P288-A290 VanDerWaalsContact C-N 3.26Å; P288-A290 PolarHBondContact O-N 2.94Å; A290-Q292 PolarHBondContact O-N 2.68Å; A290-L293 PolarHBondContact O-N 2.94Å; A290-Q294 VanDerWaalsContact C-CD 3.49Å; A290-Q294 VanDerWaalsContact CB-CD 3.42Å; A290-Q294 HydrophobicContact CB-CG 3.77Å; A290-Q294 WeakPolarHBondContact O-CA 3.34Å; A290-Q294 WeakPolarHBondContact O-CB 3.45Å; A290-Q294 VanDerWaalsContact O-CD 3.3Å; A290-Q294 WeakPolarHBondContact O-CG 3.47Å; A290-Q294 PolarHBondContact O-N 3.41Å; A290-Q294 PolarHBondContact O-OE1 3.34Å
291S48.7Very low50.6Low71 Ų7174.2 Ų74.250%0.49742%0.423SS..Hα-helixtrans-59.3-41.2-167.661.50000115.9L295S291-L295 WeakPolarHBondContact O-CG 3.39Å
292Q48Very low52.2Low150 Ų15071 Ų7170%0.70139%0.39SS*.Hα-helixtrans-77.1-40.1-179.6-70.8-174.5-3.100113A290A290-Q292 PolarHBondContact O-N 2.68Å
293L47.9Very low54Low44 Ų4473.4 Ų73.423%0.2339%0.391CS..Hα-helixtrans-72.6-35.5178.1-103.7143.6000111.7K265 L266 A290 L295 L296 L297K265-L293 HydrophobicContact CB-CD1 4.26Å; K265-L293 HydrophobicContact CD-CD1 4.37Å; L266-L293 HydrophobicContact CD1-CD2 3.51Å; L266-L293 HydrophobicContact CD2-CD1 4.02Å; L266-L293 HydrophobicContact CD2-CD2 4.05Å; L266-L293 HydrophobicContact CG-CD1 4.36Å; L266-L293 HydrophobicContact CG-CD2 3.63Å; A290-L293 PolarHBondContact O-N 2.94Å; L293-L295 VanDerWaalsContact C-N 3.31Å; L293-L295 PolarHBondContact O-N 2.85Å; L293-L296 PolarHBondContact O-N 3.25Å; L293-L297 HydrophobicContact CB-CD1 4.37Å; L293-L297 HydrophobicContact CD2-CD1 3.87Å; L293-L297 HydrophobicContact CD2-CG 4.41Å; L293-L297 VanDerWaalsContact O-CG 3.31Å; L293-L297 WeakPolarHBondContact O-CG 3.49Å; L293-L297 PolarHBondContact O-N 2.7Å
294Q52.9Low56.4Low41 Ų4171.3 Ų71.319%0.19238%0.381CS..Hα-helixtrans-55.1-44.7175.7-84.2166.6-7.700111.7A290 L296 L297 L298A290-Q294 VanDerWaalsContact C-CD 3.49Å; A290-Q294 VanDerWaalsContact CB-CD 3.42Å; A290-Q294 HydrophobicContact CB-CG 3.77Å; A290-Q294 WeakPolarHBondContact O-CA 3.34Å; A290-Q294 WeakPolarHBondContact O-CB 3.45Å; A290-Q294 VanDerWaalsContact O-CD 3.3Å; A290-Q294 WeakPolarHBondContact O-CG 3.47Å; A290-Q294 PolarHBondContact O-N 3.41Å; A290-Q294 PolarHBondContact O-OE1 3.34Å; Q294-L296 VanDerWaalsContact C-N 3.27Å; Q294-L296 PolarHBondContact O-N 2.85Å; Q294-L297 PolarHBondContact O-N 2.7Å; Q294-L298 HydrophobicContact CB-CD1 3.89Å; Q294-L298 HydrophobicContact CG-CD1 3.91Å; Q294-L298 WeakPolarHBondContact O-CB 3.45Å; Q294-L298 WeakPolarHBondContact O-CD1 3.3Å; Q294-L298 PolarHBondContact O-N 3.47Å
295L55.8Low58.5Low80 Ų8067.6 Ų67.642%0.41937%0.365SS..Hα-helixtrans-61.4-33-173.4-74.6169.2000114S291 L293 K299 Y370 R643S291-L295 WeakPolarHBondContact O-CG 3.39Å; L293-L295 VanDerWaalsContact C-N 3.31Å; L293-L295 PolarHBondContact O-N 2.85Å; L295-K299 WeakPolarHBondContact O-CB 3.39Å; L295-K299 PolarHBondContact O-N 3.36Å; L295-Y370 HydrophobicContact CD2-CE2 4.41Å; L295-R643 VanDerWaalsContact CD1-NH2 3.33Å
296L60.2Low61.2Low98 Ų9862 Ų6251%0.51333%0.328SS..Hα-helixtrans-87-46.2178.7-69.9174.6000111.7F263 L293 Q294 L298 K299F263-L296 HydrophobicContact CD1-CD1 4.43Å; F263-L296 HydrophobicContact CE1-CD1 4.31Å; F263-L296 HydrophobicContact CZ-CB 4.43Å; L293-L296 PolarHBondContact O-N 3.25Å; Q294-L296 VanDerWaalsContact C-N 3.27Å; Q294-L296 PolarHBondContact O-N 2.85Å; L296-L298 PolarHBondContact O-N 3.41Å; L296-K299 WeakPolarHBondContact O-CB 3.42Å; L296-K299 PolarHBondContact O-N 2.85Å
297L63.5Low63.7Low2 Ų252.9 Ų52.91%0.0129%0.288CS..Hα-helixtrans-63-27.9-179.2-66.8170.7000113.1R237 P238 G239 F263 L266 F274 L293 Q294R237-L297 CarbonylContact C-O 3.6Å; P238-L297 HydrophobicContact CB-CD2 4Å; P238-L297 HydrophobicContact CG-CD2 3.61Å; G239-L297 PolarHBondContact N-O 3.18Å; F263-L297 HydrophobicContact CD2-CD2 3.99Å; F263-L297 HydrophobicContact CE2-CD2 3.6Å; F263-L297 HydrophobicContact CE2-CG 4.42Å; L266-L297 HydrophobicContact CD1-CD1 3.88Å; F274-L297 HydrophobicContact CD2-CD1 4.5Å; F274-L297 HydrophobicContact CE1-CD1 4.02Å; F274-L297 HydrophobicContact CE2-CD1 4Å; F274-L297 HydrophobicContact CZ-CB 4.22Å; F274-L297 HydrophobicContact CZ-CD1 3.75Å; L293-L297 HydrophobicContact CB-CD1 4.37Å; L293-L297 HydrophobicContact CD2-CD1 3.87Å; L293-L297 HydrophobicContact CD2-CG 4.41Å; L293-L297 VanDerWaalsContact O-CG 3.31Å; L293-L297 WeakPolarHBondContact O-CG 3.49Å; L293-L297 PolarHBondContact O-N 2.7Å; Q294-L297 PolarHBondContact O-N 2.7Å
298L62Low66.1Low30 Ų3049.9 Ų49.916%0.15727%0.267CS..THydrogen-bonded Turntrans-113.711.5-177.7-63.9150.5000112.4G239 F284 Q294 L296 P300G239-L298 WeakPolarHBondContact O-CD2 3.44Å; F284-L298 HydrophobicContact CD1-CD1 4.19Å; F284-L298 HydrophobicContact CD2-CD1 4.3Å; F284-L298 HydrophobicContact CE1-CD1 3.37Å; F284-L298 HydrophobicContact CE1-CD2 4.2Å; F284-L298 HydrophobicContact CE1-CG 4.37Å; F284-L298 HydrophobicContact CE2-CD1 3.48Å; F284-L298 VanDerWaalsContact CE2-CD1 3.48Å; F284-L298 HydrophobicContact CE2-CD2 3.98Å; F284-L298 HydrophobicContact CE2-CG 4.24Å; F284-L298 HydrophobicContact CZ-CD1 3.02Å; F284-L298 HydrophobicContact CZ-CD2 3.33Å; F284-L298 HydrophobicContact CZ-CG 3.73Å; Q294-L298 HydrophobicContact CB-CD1 3.89Å; Q294-L298 HydrophobicContact CG-CD1 3.91Å; Q294-L298 WeakPolarHBondContact O-CB 3.45Å; Q294-L298 WeakPolarHBondContact O-CD1 3.3Å; Q294-L298 PolarHBondContact O-N 3.47Å; L296-L298 PolarHBondContact O-N 3.41Å; L298-P300 WeakPolarHBondContact O-CD 2.99Å
299K70.6Confident68.4Low101 Ų10144 Ų4444%0.43923%0.229SC..  trans-55.3118.4177.6-170.2179.6-175.6-175.20107.4S197 R237 L240 L295 L296S197-K299 WeakPolarHBondContact OG-CE 3.18Å; R237-K299 WeakPolarHBondContact CD-O 3.5Å; R237-K299 PolarHBondContact NH1-O 3.38Å; L240-K299 WeakPolarHBondContact CD1-O 3.38Å; L295-K299 WeakPolarHBondContact O-CB 3.39Å; L295-K299 PolarHBondContact O-N 3.36Å; L296-K299 WeakPolarHBondContact O-CB 3.42Å; L296-K299 PolarHBondContact O-N 2.85Å
300P70.9Confident70.6Confident12 Ų1236.4 Ų36.48%0.07819%0.189CC..  trans-66.1148.7-179.324.9-35.9000112.1R237 L298 A302 Y370 T372 L757R237-P300 PolarHBondContact NH1-O 3.36Å; L298-P300 WeakPolarHBondContact O-CD 2.99Å; P300-A302 PolarHBondContact O-N 2.93Å; P300-Y370 HydrophobicContact CG-CD2 4.48Å; P300-Y370 HydrophobicContact CG-CG 4.21Å; P300-T372 HydrophobicContact CB-CG2 3.38Å; P300-T372 HydrophobicContact CG-CG2 4.24Å; P300-L757 HydrophobicContact CB-CD2 3.87Å; P300-L757 HydrophobicContact CG-CD2 3.12Å
301R79.5Confident72.4Confident9 Ų935.7 Ų35.73%0.03418%0.183CC..SBendtrans-75.750.7173.7-67.4-81.1-176.1-166.31.3110.9L194 K196 S197 I201 E204 C235 R237 L240L194-R301 PolarHBondContact O-NH1 3.33Å; L194-R301 PolarHBondContact O-NH2 3.44Å; K196-R301 PolarHBondContact O-NH1 3.35Å; S197-R301 CarbonylContact O-C 3.53Å; S197-R301 VanDerWaalsContact O-CA 3.28Å; S197-R301 WeakPolarHBondContact O-CA 3.08Å; S197-R301 VanDerWaalsContact O-O 3.12Å; I201-R301 HydrophobicContact CD1-CG 4.11Å; I201-R301 HydrophobicContact CG1-CG 4.44Å; E204-R301 IonicContact OE1-CZ 3.1Å; E204-R301 IonicContact OE1-NE 2.94Å; E204-R301 IonicContact OE1-NH2 2.7Å; E204-R301 PolarHBondContact OE1-NH2 3.01Å; E204-R301 IonicContact OE2-CZ 3.8Å; E204-R301 IonicContact OE2-NE 2.7Å; E204-R301 PolarHBondContact OE2-NE 3.27Å; E204-R301 IonicContact OE2-NH2 3.54Å; E204-R301 PolarHBondContact OE2-NH2 2.94Å; C235-R301 PolarHBondContact O-NH2 3.42Å; R237-R301 VanDerWaalsContact NE-CZ 3.29Å; R237-R301 VanDerWaalsContact NH1-CA 3.29Å; L240-R301 HydrophobicContact CD1-CG 4.11Å
302A79.3Confident73.7Confident5 Ų534.2 Ų34.24%0.04117%0.172CC..  trans-146.9144.2178.900000107.5S197 P300 T372 A394 L757 A758S197-A302 PolarHBondContact O-N 3.07Å; S197-A302 VanDerWaalsContact O-N 3.16Å; P300-A302 PolarHBondContact O-N 2.93Å; A302-T372 HydrophobicContact CB-CG2 4.14Å; A302-A394 HydrophobicContact CB-CB 3.87Å; A302-L757 HydrophobicContact CB-CB 4.41Å; A302-L757 HydrophobicContact CB-CD2 3.69Å; A302-L757 HydrophobicContact CB-CG 3.66Å; A302-A758 VanDerWaalsContact CB-C 3.41Å
303E78Confident75Confident85 Ų8527.9 Ų27.940%0.39714%0.144SC..  trans-117.1-27.7-173.571.2-179.5159.300112.7V198 H327 A758 T761V198-E303 HydrophobicContact CG1-CB 4.13Å; V198-E303 HydrophobicContact CG1-CG 3.87Å; V198-E303 WeakPolarHBondContact CG1-OE1 3.41Å; V198-E303 WeakPolarHBondContact CG1-OE2 3.41Å; E303-H327 PolarHBondContact O-NE2 2.92Å; E303-A758 PolarHBondContact N-O 2.8Å; E303-T761 PolarHBondContact OE1-OG1 3.43Å
304S84.3Confident75.8Confident7 Ų734.5 Ų34.55%0.04917%0.166CC..EExtended strand (participates in β ladder)trans-109.2126.8-167.1-710000110.5C306 N325 L757 A758 W760S304-C306 PolarHBondContact O-N 2.79Å; S304-N325 PolarHBondContact OG-ND2 2.7Å; S304-L757 WeakPolarHBondContact O-CA 3.32Å; S304-A758 PolarHBondContact N-O 3.37Å; S304-A758 VanDerWaalsContact N-O 3.08Å; S304-A758 PolarHBondContact O-N 3.48Å; S304-W760 WeakPolarHBondContact OG-CB 3.36Å
305L86.9Confident76Confident6 Ų637.9 Ų37.93%0.03119%0.194CC..EExtended strand (participates in β ladder)trans-74.1123165.3-164.970.6000109L326 H327 L640 L641 V755L305-L326 HydrophobicContact CB-CB 4.46Å; L305-L326 HydrophobicContact CD2-CD1 4.04Å; L305-L326 HydrophobicContact CG-CD1 4.11Å; L305-L326 VanDerWaalsContact O-CB 3.32Å; L305-L326 WeakPolarHBondContact O-CB 3.12Å; L305-L326 PolarHBondContact O-N 2.85Å; L305-H327 PolarHBondContact N-CD2 3Å; L305-H327 PolarHBondContact N-NE2 2.92Å; L305-L640 HydrophobicContact CD1-CB 3.65Å; L305-L640 HydrophobicContact CD1-CD1 3.62Å; L305-L640 HydrophobicContact CD1-CG 4.27Å; L305-L640 HydrophobicContact CD2-CB 4.11Å; L305-L641 HydrophobicContact CD2-CB 4.27Å; L305-L641 HydrophobicContact CD2-CD1 3.34Å; L305-L641 HydrophobicContact CD2-CD2 4.49Å; L305-L641 HydrophobicContact CD2-CG 3.4Å; L305-V755 HydrophobicContact CD1-CG1 3.5Å; L305-V755 HydrophobicContact CD2-CG1 3.79Å; L305-V755 HydrophobicContact CG-CG1 3.53Å
306C90.7Very high76.2Confident0 Ų037 Ų370%020%0.195CC..EExtended strand (participates in β ladder)trans-122.8136.5-174.8-68.30000111.1S304 F324 V755 V756 A758 W760S304-C306 PolarHBondContact O-N 2.79Å; C306-F324 CarbonylContact C-O 3.55Å; C306-F324 VanDerWaalsContact CA-O 3.23Å; C306-F324 WeakPolarHBondContact CA-O 3.36Å; C306-V755 WeakPolarHBondContact O-CA 3.38Å; C306-V756 PolarHBondContact N-O 2.84Å; C306-V756 PolarHBondContact O-N 2.86Å; C306-A758 HydrophobicContact CB-CB 4.1Å; C306-W760 VanDerWaalsContact SG-CE3 3.57Å
307L92.2Very high76.3Confident0 Ų040 Ų400%021%0.211CC..EExtended strand (participates in β ladder)trans-86.9118.1164.8-177.873.7000108.5L323 F324 L326 L634 C636 V696 A698 T753 V755L307-L323 CarbonylContact O-C 3.58Å; L307-L323 WeakPolarHBondContact O-CA 3.28Å; L307-F324 HydrophobicContact CB-CB 4.21Å; L307-F324 HydrophobicContact CB-CD2 4.45Å; L307-F324 HydrophobicContact CD2-CD2 4.18Å; L307-F324 PolarHBondContact N-O 3.11Å; L307-F324 PolarHBondContact O-N 3.14Å; L307-L326 HydrophobicContact CB-CD1 4.32Å; L307-L326 HydrophobicContact CB-CD2 3.9Å; L307-L326 HydrophobicContact CB-CG 4.33Å; L307-L634 HydrophobicContact CD2-CB 4.2Å; L307-L634 HydrophobicContact CD2-CD1 4.1Å; L307-C636 WeakPolarHBondContact CD1-SG 3.39Å; L307-V696 HydrophobicContact CD1-CB 4.43Å; L307-V696 HydrophobicContact CD1-CG1 3.97Å; L307-V696 HydrophobicContact CD2-CG1 4.05Å; L307-V696 HydrophobicContact CG-CG1 4.45Å; L307-A698 HydrophobicContact CD2-CB 3.41Å; L307-A698 VanDerWaalsContact CD2-CB 3.41Å; L307-T753 HydrophobicContact CD1-CG2 3.27Å; L307-T753 HydrophobicContact CG-CG2 3.97Å; L307-V755 HydrophobicContact CD1-CG2 3.67Å
308L91.4Very high76.7Confident0 Ų041.4 Ų41.40%022%0.221CC..EExtended strand (participates in β ladder)trans-100.7134174.8179.473000109.8F321 W322 L323 F360 L374 W391 T753 A754 V756L308-F321 HydrophobicContact CD1-CB 4.27Å; L308-F321 HydrophobicContact CD1-CD1 3.98Å; L308-W322 CarbonylContact C-O 3.6Å; L308-W322 WeakPolarHBondContact CA-O 3.17Å; L308-L323 HydrophobicContact CD1-CD1 3.92Å; L308-L323 HydrophobicContact CD1-CD2 4.23Å; L308-L323 HydrophobicContact CD1-CG 3.67Å; L308-F360 HydrophobicContact CD2-CD2 4.12Å; L308-F360 HydrophobicContact CD2-CE1 4.3Å; L308-F360 HydrophobicContact CD2-CE2 3.75Å; L308-F360 HydrophobicContact CD2-CZ 3.83Å; L308-F360 HydrophobicContact CG-CD2 4.31Å; L308-F360 HydrophobicContact CG-CE2 3.7Å; L308-F360 HydrophobicContact CG-CZ 4.07Å; L308-L374 HydrophobicContact CD2-CD2 3.28Å; L308-W391 HydrophobicContact CD1-CH2 4.3Å; L308-W391 HydrophobicContact CD1-CZ3 3.98Å; L308-W391 HydrophobicContact CD2-CE3 4.35Å; L308-W391 HydrophobicContact CD2-CZ3 3.75Å; L308-T753 VanDerWaalsContact O-CA 3.28Å; L308-T753 WeakPolarHBondContact O-CA 3.48Å; L308-A754 PolarHBondContact N-O 3.38Å; L308-A754 PolarHBondContact O-N 3.3Å; L308-V756 HydrophobicContact CB-CG2 4.49Å
309G90Very high77.5Confident1 Ų140.6 Ų40.61%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-140.6174.6170.800000112W322G309-W322 PolarHBondContact N-O 3.46Å; G309-W322 PolarHBondContact O-N 2.79Å
310L86.7Confident78.3Confident5 Ų536.8 Ų36.83%0.02620%0.201CC..EExtended strand (participates in β ladder)trans-113.3145.9169.3-64.9166.8000111E320 F321 I336 I358 F360 S751 P752L310-E320 WeakPolarHBondContact CA-O 3.45Å; L310-F321 HydrophobicContact CD2-CD1 3.48Å; L310-F321 VanDerWaalsContact CD2-CD1 3.48Å; L310-F321 HydrophobicContact CD2-CE1 3.6Å; L310-F321 HydrophobicContact CD2-CG 4.22Å; L310-F321 HydrophobicContact CD2-CZ 4.4Å; L310-I336 HydrophobicContact CD2-CD1 4.11Å; L310-I358 HydrophobicContact CD1-CB 3.7Å; L310-I358 HydrophobicContact CD1-CD1 3.72Å; L310-I358 HydrophobicContact CD1-CG1 4.31Å; L310-I358 HydrophobicContact CD1-CG2 3.41Å; L310-I358 VanDerWaalsContact CD1-CG2 3.41Å; L310-F360 HydrophobicContact CD1-CE1 4.09Å; L310-F360 HydrophobicContact CD1-CE2 4.37Å; L310-F360 HydrophobicContact CD1-CZ 3.73Å; L310-F360 HydrophobicContact CD2-CZ 3.82Å; L310-F360 HydrophobicContact CG-CE1 4.28Å; L310-F360 HydrophobicContact CG-CE2 3.96Å; L310-F360 HydrophobicContact CG-CZ 3.45Å; L310-F360 VanDerWaalsContact CG-CZ 3.45Å; L310-S751 VanDerWaalsContact C-OG 3.31Å; L310-S751 VanDerWaalsContact CA-OG 3.31Å; L310-S751 WeakPolarHBondContact CA-OG 3.41Å; L310-S751 WeakPolarHBondContact CB-OG 3.38Å; L310-S751 PolarHBondContact N-OG 2.91Å; L310-S751 WeakPolarHBondContact O-CB 3.14Å; L310-S751 PolarHBondContact O-OG 2.93Å; L310-P752 HydrophobicContact CD1-CG 3.6Å; L310-P752 HydrophobicContact CG-CG 4.27Å
311A81.8Confident79.1Confident2 Ų236.2 Ų36.22%0.01720%0.197CC..EExtended strand (participates in β ladder)trans-142.5153.2170.100000110.6L319 E320 W322 T745A311-L319 WeakPolarHBondContact O-CA 3.23Å; A311-E320 PolarHBondContact N-O 2.77Å; A311-E320 PolarHBondContact O-N 2.97Å; A311-W322 HydrophobicContact CB-CD2 3.88Å; A311-W322 HydrophobicContact CB-CE3 4.44Å; A311-W322 HydrophobicContact CB-CG 4.14Å; A311-W322 HydrophobicContact CB-CZ2 4Å; A311-T745 HydrophobicContact CB-CG2 3.86Å
312P75.4Confident79.7Confident41 Ų4136.2 Ų36.227%0.26620%0.197SC..EExtended strand (participates in β ladder)trans-64.9140.2168.127-31.8000110.4Y749P312-Y749 HydrophobicContact CG-CD1 4.46Å; P312-Y749 HydrophobicContact CG-CD2 3.99Å; P312-Y749 HydrophobicContact CG-CE1 4.03Å; P312-Y749 HydrophobicContact CG-CE2 3.54Å; P312-Y749 HydrophobicContact CG-CG 4.45Å
313S74.2Confident80.3Confident17 Ų1736 Ų3612%0.11920%0.195CC..  trans-69153.7173-171.20000111.1S315 S318 E320S313-S315 VanDerWaalsContact C-N 3.33Å; S313-S318 WeakPolarHBondContact CB-OG 3.43Å; S313-S318 PolarHBondContact N-O 2.99Å; S313-E320 WeakPolarHBondContact CA-OE1 2.87Å; S313-E320 VanDerWaalsContact CB-OE1 3.23Å; S313-E320 WeakPolarHBondContact CB-OE1 3.42Å; S313-E320 PolarHBondContact OG-OE1 3.08Å
314R65.2Low81Confident182 Ų18232 Ų3269%0.68718%0.177SC*.SBendtrans-74.1-22.8178.4-67.2-172.3-177.7166.810.4113.8A741R314-A741 PolarHBondContact NH2-O 3.4Å; R314-A741 VanDerWaalsContact NH2-O 3.14Å
315S57.8Low81.4Confident112 Ų11231.8 Ų31.878%0.78318%0.175SC*.SBendtrans-108.1-9.4-169.246.80000114.8S313S313-S315 VanDerWaalsContact C-N 3.33Å
316S59.9Low81.6Confident61 Ų6131.5 Ų31.543%0.42717%0.173SC..SBendtrans-157.6164.8-174.152.50000111.9S318S316-S318 PolarHBondContact O-N 3.11Å; S316-S318 VanDerWaalsContact OG-CB 3.25Å; S316-S318 WeakPolarHBondContact OG-CB 3.35Å; S316-S318 PolarHBondContact OG-OG 3Å
317N61.8Low81.4Confident162 Ų16235.1 Ų35.187%0.86619%0.19SC*.SBendtrans-67.733.9164.8-79.4-9000112.1
318S72.3Confident81.1Confident31 Ų3139.4 Ų39.422%0.21721%0.213CC..  trans-100.6163.2177.772.20000110.7S313 S316S313-S318 WeakPolarHBondContact CB-OG 3.43Å; S313-S318 PolarHBondContact N-O 2.99Å; S316-S318 PolarHBondContact O-N 3.11Å; S316-S318 VanDerWaalsContact OG-CB 3.25Å; S316-S318 WeakPolarHBondContact OG-CB 3.35Å; S316-S318 PolarHBondContact OG-OG 3Å
319L79.4Confident80.9Confident13 Ų1340.2 Ų40.27%0.06822%0.221CC..EExtended strand (participates in β ladder)trans-105.9151.6173.7-68.9178.5000110.5A311 I336 I354 I358A311-L319 WeakPolarHBondContact O-CA 3.23Å; L319-I336 HydrophobicContact CB-CD1 3.59Å; L319-I336 HydrophobicContact CB-CG1 4.13Å; L319-I336 HydrophobicContact CD1-CD1 4.27Å; L319-I336 WeakPolarHBondContact O-CG1 3.45Å; L319-I336 PolarHBondContact O-N 3.39Å; L319-I354 HydrophobicContact CD1-CB 4.04Å; L319-I354 HydrophobicContact CD1-CG2 3.35Å; L319-I354 HydrophobicContact CG-CG2 4.29Å; L319-I358 HydrophobicContact CD1-CD1 3.41Å; L319-I358 VanDerWaalsContact CD1-CD1 3.41Å
320E86.2Confident81Confident21 Ų2141.9 Ų41.910%0.09824%0.235CC..EExtended strand (participates in β ladder)trans-121.8142.7173.6-67.1174.2-174.800110L310 A311 S313 W322 N333 Y334L310-E320 WeakPolarHBondContact CA-O 3.45Å; A311-E320 PolarHBondContact N-O 2.77Å; A311-E320 PolarHBondContact O-N 2.97Å; S313-E320 WeakPolarHBondContact CA-OE1 2.87Å; S313-E320 VanDerWaalsContact CB-OE1 3.23Å; S313-E320 WeakPolarHBondContact CB-OE1 3.42Å; S313-E320 PolarHBondContact OG-OE1 3.08Å; E320-W322 PolarHBondContact OE2-NE1 2.79Å; E320-N333 PolarHBondContact OE2-ND2 3.38Å; E320-Y334 CarbonylContact C-O 3.47Å; E320-Y334 VanDerWaalsContact CA-O 3.26Å; E320-Y334 WeakPolarHBondContact CA-O 3.39Å; E320-Y334 WeakPolarHBondContact CB-O 3.16Å
321F89.1Confident81.2Confident1 Ų146.6 Ų46.60%0.00425%0.253CS..EExtended strand (participates in β ladder)trans-78.9131.2162.5-72.1-70.2000109.1L308 L310 L323 N333 Y334 I336 F360 W391 I770L308-F321 HydrophobicContact CD1-CB 4.27Å; L308-F321 HydrophobicContact CD1-CD1 3.98Å; L310-F321 HydrophobicContact CD2-CD1 3.48Å; L310-F321 VanDerWaalsContact CD2-CD1 3.48Å; L310-F321 HydrophobicContact CD2-CE1 3.6Å; L310-F321 HydrophobicContact CD2-CG 4.22Å; L310-F321 HydrophobicContact CD2-CZ 4.4Å; F321-L323 HydrophobicContact CB-CD1 4.27Å; F321-N333 WeakPolarHBondContact O-CA 3.26Å; F321-Y334 HydrophobicContact CB-CD2 4.5Å; F321-Y334 HydrophobicContact CB-CE1 4.03Å; F321-Y334 HydrophobicContact CB-CE2 3.92Å; F321-Y334 HydrophobicContact CD2-CD2 4.34Å; F321-Y334 AromaticContact CD2-CE2 3.49Å; F321-Y334 HydrophobicContact CD2-CE2 3.49Å; F321-Y334 VanDerWaalsContact CD2-CE2 3.49Å; F321-Y334 AromaticContact CD2-CZ 3.84Å; F321-Y334 HydrophobicContact CE2-CE2 4.42Å; F321-Y334 HydrophobicContact CG-CE2 4.12Å; F321-Y334 PolarHBondContact N-O 2.79Å; F321-Y334 PolarHBondContact O-N 2.96Å; F321-Y334 VanDerWaalsContact O-N 3.14Å; F321-I336 HydrophobicContact CD2-CG1 3.78Å; F321-I336 HydrophobicContact CE2-CB 4.18Å; F321-I336 HydrophobicContact CE2-CD1 4.13Å; F321-I336 HydrophobicContact CE2-CG1 3.58Å; F321-I336 HydrophobicContact CE2-CG2 4.03Å; F321-I336 HydrophobicContact CZ-CD1 4.22Å; F321-I336 HydrophobicContact CZ-CG1 4.17Å; F321-F360 AromaticContact CD1-CZ 4Å; F321-F360 HydrophobicContact CD1-CZ 4Å; F321-F360 AromaticContact CE1-CE1 3.94Å; F321-F360 HydrophobicContact CE1-CE1 3.94Å; F321-F360 AromaticContact CE1-CZ 3.74Å; F321-F360 HydrophobicContact CE1-CZ 3.74Å; F321-W391 HydrophobicContact CD1-CZ3 4.28Å; F321-W391 HydrophobicContact CE1-CZ3 4.32Å; F321-I770 HydrophobicContact CD2-CD1 3.97Å; F321-I770 HydrophobicContact CE2-CD1 3.33Å; F321-I770 HydrophobicContact CZ-CD1 3.96Å
322W90.7Very high81.5Confident9 Ų948.6 Ų48.63%0.03426%0.262CS..EExtended strand (participates in β ladder)trans-115.9122.8177.4-78.736.6000108.5L308 G309 A311 E320 F324 N333 I742 T745 L746L308-W322 CarbonylContact C-O 3.6Å; L308-W322 WeakPolarHBondContact CA-O 3.17Å; G309-W322 PolarHBondContact N-O 3.46Å; G309-W322 PolarHBondContact O-N 2.79Å; A311-W322 HydrophobicContact CB-CD2 3.88Å; A311-W322 HydrophobicContact CB-CE3 4.44Å; A311-W322 HydrophobicContact CB-CG 4.14Å; A311-W322 HydrophobicContact CB-CZ2 4Å; E320-W322 PolarHBondContact OE2-NE1 2.79Å; W322-F324 HydrophobicContact CB-CE2 4.21Å; W322-F324 HydrophobicContact CE3-CE2 4.31Å; W322-F324 AromaticContact CE3-CZ 3.8Å; W322-F324 HydrophobicContact CE3-CZ 3.8Å; W322-F324 HydrophobicContact CZ3-CZ 4.46Å; W322-N333 HydrophobicContact CD2-CB 4.44Å; W322-N333 HydrophobicContact CG-CB 4.04Å; W322-I742 HydrophobicContact CE3-CG2 4.11Å; W322-I742 HydrophobicContact CH2-CB 4.21Å; W322-I742 HydrophobicContact CH2-CG1 4.03Å; W322-I742 HydrophobicContact CH2-CG2 4.16Å; W322-I742 HydrophobicContact CZ3-CB 3.91Å; W322-I742 HydrophobicContact CZ3-CG1 4.02Å; W322-I742 HydrophobicContact CZ3-CG2 3.36Å; W322-T745 HydrophobicContact CH2-CG2 4.01Å; W322-T745 HydrophobicContact CZ2-CG2 4.36Å; W322-L746 HydrophobicContact CE3-CD2 4.11Å; W322-L746 HydrophobicContact CE3-CG 4.49Å; W322-L746 HydrophobicContact CZ3-CD2 4.15Å; W322-L746 HydrophobicContact CZ3-CG 4.15Å
323L92.4Very high82.1Confident0 Ų049.2 Ų49.20%026%0.264CS..EExtended strand (participates in β ladder)trans-118.2131.8178.2-64.892.4000110.1L307 L308 F321 Y331 H332 Y334 L393 W760 I763L307-L323 CarbonylContact O-C 3.58Å; L307-L323 WeakPolarHBondContact O-CA 3.28Å; L308-L323 HydrophobicContact CD1-CD1 3.92Å; L308-L323 HydrophobicContact CD1-CD2 4.23Å; L308-L323 HydrophobicContact CD1-CG 3.67Å; F321-L323 HydrophobicContact CB-CD1 4.27Å; L323-Y331 CarbonylContact O-C 3.56Å; L323-Y331 VanDerWaalsContact O-CA 3.28Å; L323-Y331 WeakPolarHBondContact O-CA 3.5Å; L323-H332 PolarHBondContact N-O 3.02Å; L323-H332 PolarHBondContact O-N 2.85Å; L323-Y334 HydrophobicContact CD1-CD1 4.29Å; L323-Y334 HydrophobicContact CD1-CE1 3.48Å; L323-Y334 VanDerWaalsContact CD1-CE1 3.48Å; L323-L393 HydrophobicContact CD2-CD2 3.84Å; L323-W760 HydrophobicContact CB-CZ3 3.86Å; L323-I763 HydrophobicContact CD1-CG2 4.44Å; L323-I763 HydrophobicContact CD2-CD1 3.78Å; L323-I763 HydrophobicContact CD2-CG2 4.16Å
324F93.1Very high82.7Confident1 Ų149.3 Ų49.30%0.00426%0.261CS..EExtended strand (participates in β ladder)trans-117.8120.6173.1-55.9-92.9000109.6C306 L307 W322 L326 A330 L634 I711 L738 I742 L746C306-F324 CarbonylContact C-O 3.55Å; C306-F324 VanDerWaalsContact CA-O 3.23Å; C306-F324 WeakPolarHBondContact CA-O 3.36Å; L307-F324 HydrophobicContact CB-CB 4.21Å; L307-F324 HydrophobicContact CB-CD2 4.45Å; L307-F324 HydrophobicContact CD2-CD2 4.18Å; L307-F324 PolarHBondContact N-O 3.11Å; L307-F324 PolarHBondContact O-N 3.14Å; W322-F324 HydrophobicContact CB-CE2 4.21Å; W322-F324 HydrophobicContact CE3-CE2 4.31Å; W322-F324 AromaticContact CE3-CZ 3.8Å; W322-F324 HydrophobicContact CE3-CZ 3.8Å; W322-F324 HydrophobicContact CZ3-CZ 4.46Å; F324-L326 PolarHBondContact O-N 2.74Å; F324-A330 CarbonylContact C-O 3.59Å; F324-A330 WeakPolarHBondContact CA-O 3.47Å; F324-L634 HydrophobicContact CD2-CD1 4.43Å; F324-L634 HydrophobicContact CE2-CD1 3.87Å; F324-I711 HydrophobicContact CB-CD1 3.83Å; F324-I711 HydrophobicContact CD1-CD1 3.89Å; F324-I711 HydrophobicContact CG-CD1 4.07Å; F324-L738 HydrophobicContact CD1-CD2 3.96Å; F324-L738 HydrophobicContact CE1-CD2 3.59Å; F324-I742 HydrophobicContact CE1-CG2 4.03Å; F324-I742 HydrophobicContact CZ-CG2 4.01Å; F324-L746 HydrophobicContact CE2-CD1 4.48Å; F324-L746 HydrophobicContact CZ-CD1 3.99Å
325N92.3Very high83.7Confident2 Ų244.6 Ų44.61%0.01125%0.254CS..EExtended strand (participates in β ladder)trans-73.4115.2172.9-173.4-28.6000109.6S304 H327 N328 G329 A330 W760S304-N325 PolarHBondContact OG-ND2 2.7Å; N325-H327 VanDerWaalsContact C-N 3.25Å; N325-H327 PolarHBondContact O-N 3.16Å; N325-H327 WeakPolarHBondContact OD1-CB 3.33Å; N325-H327 PolarHBondContact OD1-CD2 3.21Å; N325-H327 PolarHBondContact OD1-N 3.09Å; N325-N328 VanDerWaalsContact CB-OD1 3.28Å; N325-N328 WeakPolarHBondContact CB-OD1 3.21Å; N325-N328 VanDerWaalsContact CG-OD1 3.28Å; N325-G329 VanDerWaalsContact O-CA 3.3Å; N325-G329 WeakPolarHBondContact O-CA 3.44Å; N325-G329 PolarHBondContact O-N 3.43Å; N325-A330 HydrophobicContact CB-CB 4.37Å; N325-A330 PolarHBondContact N-O 2.97Å; N325-W760 HydrophobicContact CB-CD2 3.79Å; N325-W760 HydrophobicContact CB-CE3 3.79Å; N325-W760 HydrophobicContact CB-CG 4.47Å; N325-W760 HydrophobicContact CB-CH2 3.91Å; N325-W760 HydrophobicContact CB-CZ2 3.94Å; N325-W760 HydrophobicContact CB-CZ3 3.83Å; N325-W760 VanDerWaalsContact ND2-CG 3.35Å
326L90.9Very high84.8Confident0 Ų039.5 Ų39.50%022%0.218CC..THydrogen-bonded Turntrans-77.9-9-174.7-58.9-175.6000113.2L305 L307 F324 L641 V696 I711 F713 Y736 V755L305-L326 HydrophobicContact CB-CB 4.46Å; L305-L326 HydrophobicContact CD2-CD1 4.04Å; L305-L326 HydrophobicContact CG-CD1 4.11Å; L305-L326 VanDerWaalsContact O-CB 3.32Å; L305-L326 WeakPolarHBondContact O-CB 3.12Å; L305-L326 PolarHBondContact O-N 2.85Å; L307-L326 HydrophobicContact CB-CD1 4.32Å; L307-L326 HydrophobicContact CB-CD2 3.9Å; L307-L326 HydrophobicContact CB-CG 4.33Å; F324-L326 PolarHBondContact O-N 2.74Å; L326-L641 HydrophobicContact CD1-CD1 3.87Å; L326-V696 HydrophobicContact CD1-CG1 4.14Å; L326-V696 HydrophobicContact CD1-CG2 4.2Å; L326-V696 HydrophobicContact CD2-CG1 4.1Å; L326-I711 HydrophobicContact CD2-CG2 4.15Å; L326-F713 HydrophobicContact CB-CE1 4.23Å; L326-F713 HydrophobicContact CB-CZ 3.9Å; L326-F713 HydrophobicContact CD1-CE1 4.23Å; L326-F713 HydrophobicContact CD2-CE1 3.95Å; L326-F713 HydrophobicContact CD2-CZ 4.05Å; L326-F713 HydrophobicContact CG-CE1 4.37Å; L326-F713 HydrophobicContact CG-CZ 4.43Å; L326-Y736 VanDerWaalsContact O-CE2 3.28Å; L326-Y736 WeakPolarHBondContact O-CE2 3.34Å; L326-Y736 PolarHBondContact O-OH 3.22Å; L326-V755 HydrophobicContact CD1-CG1 4.13Å; L326-V755 HydrophobicContact CD1-CG2 4.08Å
327H85.8Confident85.8Confident76 Ų7637.7 Ų37.735%0.35221%0.205SC..THydrogen-bonded Turntrans-81.7-28.9174.9-64.2-72.2000114E303 L305 N325 L644 Y736E303-H327 PolarHBondContact O-NE2 2.92Å; L305-H327 PolarHBondContact N-CD2 3Å; L305-H327 PolarHBondContact N-NE2 2.92Å; N325-H327 VanDerWaalsContact C-N 3.25Å; N325-H327 PolarHBondContact O-N 3.16Å; N325-H327 WeakPolarHBondContact OD1-CB 3.33Å; N325-H327 PolarHBondContact OD1-CD2 3.21Å; N325-H327 PolarHBondContact OD1-N 3.09Å; H327-L644 VanDerWaalsContact ND1-CD2 3.26Å; H327-L644 WeakPolarHBondContact ND1-CD2 3.34Å; H327-Y736 PolarHBondContact O-OH 3.25Å
328N86.6Confident86.5Confident90 Ų9036.2 Ų36.248%0.48120%0.197SC..THydrogen-bonded Turntrans-138.7-4.3-172.762.716.3000114.4N325 A330 Y736N325-N328 VanDerWaalsContact CB-OD1 3.28Å; N325-N328 WeakPolarHBondContact CB-OD1 3.21Å; N325-N328 VanDerWaalsContact CG-OD1 3.28Å; N328-A330 PolarHBondContact O-N 3.38Å; N328-A330 WeakPolarHBondContact OD1-CB 3.23Å; N328-A330 PolarHBondContact OD1-N 2.84Å; N328-Y736 VanDerWaalsContact C-CE1 3.42Å
329G88Confident86.7Confident17 Ų1737 Ų3718%0.17520%0.199CC..  trans77.13.7-179.600000114.8N325N325-G329 VanDerWaalsContact O-CA 3.3Å; N325-G329 WeakPolarHBondContact O-CA 3.44Å; N325-G329 PolarHBondContact O-N 3.43Å
330A90.8Very high86.8Confident37 Ų3736.4 Ų36.431%0.30620%0.196SC..  trans-62.9141.8175.800000110F324 N325 N328 W760F324-A330 CarbonylContact C-O 3.59Å; F324-A330 WeakPolarHBondContact CA-O 3.47Å; N325-A330 HydrophobicContact CB-CB 4.37Å; N325-A330 PolarHBondContact N-O 2.97Å; N328-A330 PolarHBondContact O-N 3.38Å; N328-A330 WeakPolarHBondContact OD1-CB 3.23Å; N328-A330 PolarHBondContact OD1-N 2.84Å; A330-W760 HydrophobicContact CB-CH2 4.46Å; A330-W760 HydrophobicContact CB-CZ2 3.66Å; A330-W760 WeakPolarHBondContact O-CH2 3.26Å
331Y90.6Very high86.5Confident104 Ų10436.9 Ų36.941%0.40820%0.199SC..EExtended strand (participates in β ladder)trans-119.3150.9176.890-87.5000110.3L323 P739 I742L323-Y331 CarbonylContact O-C 3.56Å; L323-Y331 VanDerWaalsContact O-CA 3.28Å; L323-Y331 WeakPolarHBondContact O-CA 3.5Å; Y331-P739 HydrophobicContact CD1-CG 4.43Å; Y331-P739 HydrophobicContact CE1-CG 4.14Å; Y331-I742 HydrophobicContact CD1-CD1 3.49Å; Y331-I742 VanDerWaalsContact CD1-CD1 3.49Å; Y331-I742 HydrophobicContact CD2-CD1 3.53Å; Y331-I742 HydrophobicContact CE1-CD1 3.46Å; Y331-I742 VanDerWaalsContact CE1-CD1 3.46Å; Y331-I742 HydrophobicContact CE2-CD1 3.51Å; Y331-I742 HydrophobicContact CG-CD1 3.53Å; Y331-I742 VanDerWaalsContact CZ-CD1 3.47Å
332H89.6Confident85.9Confident43 Ų4344.1 Ų44.120%0.19923%0.226CC..EExtended strand (participates in β ladder)trans-144.4138.2173.2-172.368.2000109L323 Y334 W760 V764L323-H332 PolarHBondContact N-O 3.02Å; L323-H332 PolarHBondContact O-N 2.85Å; H332-Y334 AromaticContact CD2-CD1 3.96Å; H332-W760 HydrophobicContact CB-CH2 3.81Å; H332-W760 HydrophobicContact CB-CZ2 4.23Å; H332-W760 HydrophobicContact CB-CZ3 4.43Å; H332-V764 HydrophobicContact CB-CG2 4.01Å
333N88.3Confident85.3Confident55 Ų5546.7 Ų46.729%0.29424%0.238SC..EExtended strand (participates in β ladder)trans-132.4148.2175.964.4-30.9000110.9E320 F321 W322E320-N333 PolarHBondContact OE2-ND2 3.38Å; F321-N333 WeakPolarHBondContact O-CA 3.26Å; W322-N333 HydrophobicContact CD2-CB 4.44Å; W322-N333 HydrophobicContact CG-CB 4.04Å
334Y86.5Confident84.6Confident19 Ų1946.8 Ų46.88%0.07524%0.239CC..EExtended strand (participates in β ladder)trans-149.5149.9173.659.1-90.8000110.5E320 F321 L323 H332 W391 I763 P769 I770E320-Y334 CarbonylContact C-O 3.47Å; E320-Y334 VanDerWaalsContact CA-O 3.26Å; E320-Y334 WeakPolarHBondContact CA-O 3.39Å; E320-Y334 WeakPolarHBondContact CB-O 3.16Å; F321-Y334 HydrophobicContact CB-CD2 4.5Å; F321-Y334 HydrophobicContact CB-CE1 4.03Å; F321-Y334 HydrophobicContact CB-CE2 3.92Å; F321-Y334 HydrophobicContact CD2-CD2 4.34Å; F321-Y334 AromaticContact CD2-CE2 3.49Å; F321-Y334 HydrophobicContact CD2-CE2 3.49Å; F321-Y334 VanDerWaalsContact CD2-CE2 3.49Å; F321-Y334 AromaticContact CD2-CZ 3.84Å; F321-Y334 HydrophobicContact CE2-CE2 4.42Å; F321-Y334 HydrophobicContact CG-CE2 4.12Å; F321-Y334 PolarHBondContact N-O 2.79Å; F321-Y334 PolarHBondContact O-N 2.96Å; F321-Y334 VanDerWaalsContact O-N 3.14Å; L323-Y334 HydrophobicContact CD1-CD1 4.29Å; L323-Y334 HydrophobicContact CD1-CE1 3.48Å; L323-Y334 VanDerWaalsContact CD1-CE1 3.48Å; H332-Y334 AromaticContact CD2-CD1 3.96Å; Y334-W391 WeakPolarHBondContact OH-CH2 3.11Å; Y334-W391 WeakPolarHBondContact OH-CZ2 2.86Å; Y334-I763 HydrophobicContact CE1-CG2 4.26Å; Y334-P769 HydrophobicContact CD1-CG 3.93Å; Y334-P769 HydrophobicContact CD2-CG 3.81Å; Y334-P769 HydrophobicContact CE1-CB 4.46Å; Y334-P769 HydrophobicContact CE1-CG 3.44Å; Y334-P769 VanDerWaalsContact CE1-CG 3.44Å; Y334-P769 HydrophobicContact CE2-CG 3.32Å; Y334-P769 HydrophobicContact CG-CG 4.11Å; Y334-P769 WeakPolarHBondContact OH-CG 3.48Å; Y334-I770 HydrophobicContact CE2-CD1 4.45Å
335P84.8Confident83.7Confident82 Ų8248.4 Ų48.453%0.53225%0.248SC..EExtended strand (participates in β ladder)trans-63.2144.6176.727.1-34.9000110.7P337P335-P337 VanDerWaalsContact O-CD 3.26Å; P335-P337 WeakPolarHBondContact O-CD 3.36Å
336I82.4Confident82.4Confident6 Ų648.8 Ų48.83%0.03125%0.249CC..PPolyproline II helixtrans-61.2122.5171.4-57.8-175.4000108.1L310 L319 F321 C340 L341L310-I336 HydrophobicContact CD2-CD1 4.11Å; L319-I336 HydrophobicContact CB-CD1 3.59Å; L319-I336 HydrophobicContact CB-CG1 4.13Å; L319-I336 HydrophobicContact CD1-CD1 4.27Å; L319-I336 WeakPolarHBondContact O-CG1 3.45Å; L319-I336 PolarHBondContact O-N 3.39Å; F321-I336 HydrophobicContact CD2-CG1 3.78Å; F321-I336 HydrophobicContact CE2-CB 4.18Å; F321-I336 HydrophobicContact CE2-CD1 4.13Å; F321-I336 HydrophobicContact CE2-CG1 3.58Å; F321-I336 HydrophobicContact CE2-CG2 4.03Å; F321-I336 HydrophobicContact CZ-CD1 4.22Å; F321-I336 HydrophobicContact CZ-CG1 4.17Å; I336-C340 HydrophobicContact CG2-CB 3.58Å; I336-L341 HydrophobicContact CB-CD2 3.81Å; I336-L341 HydrophobicContact CB-CG 4.27Å; I336-L341 HydrophobicContact CD1-CD2 4.38Å; I336-L341 HydrophobicContact CG2-CD2 3.64Å; I336-L341 HydrophobicContact CG2-CG 3.93Å
337P80.1Confident80.9Confident22 Ų2254.1 Ų54.114%0.14328%0.278CS..PPolyproline II helixtrans-58.4143.8178.3-27.236.8000112.6P335 N339 C340 L341 N768P335-P337 VanDerWaalsContact O-CD 3.26Å; P335-P337 WeakPolarHBondContact O-CD 3.36Å; P337-N339 VanDerWaalsContact C-N 3.26Å; P337-N339 WeakPolarHBondContact CB-OD1 3.48Å; P337-N339 PolarHBondContact O-N 3.48Å; P337-C340 WeakPolarHBondContact O-CA 3.36Å; P337-C340 VanDerWaalsContact O-CB 3.24Å; P337-C340 WeakPolarHBondContact O-CB 3.46Å; P337-C340 PolarHBondContact O-N 3.23Å; P337-L341 PolarHBondContact O-N 2.85Å; P337-N768 VanDerWaalsContact CG-OD1 3.25Å; P337-N768 WeakPolarHBondContact CG-OD1 3.48Å
338D77.2Confident79.3Confident132 Ų13252 Ų5271%0.70627%0.272SS*.Hα-helixtrans-56.9-36.5-176.1-65.6-25.1000113.7C340 L341 R342D338-C340 VanDerWaalsContact C-N 3.29Å; D338-C340 PolarHBondContact O-N 2.82Å; D338-L341 WeakPolarHBondContact O-CB 3.31Å; D338-L341 PolarHBondContact O-N 3.16Å; D338-R342 PolarHBondContact O-N 3.49Å
339N77Confident77.5Confident48 Ų4851 Ų5126%0.25727%0.272SS..Hα-helixtrans-61.2-39173.563.2-25000111.3P337 E343 F772P337-N339 VanDerWaalsContact C-N 3.26Å; P337-N339 WeakPolarHBondContact CB-OD1 3.48Å; P337-N339 PolarHBondContact O-N 3.48Å; N339-E343 VanDerWaalsContact O-CG 3.25Å; N339-E343 WeakPolarHBondContact O-CG 3.36Å; N339-E343 PolarHBondContact O-N 2.89Å; N339-F772 WeakPolarHBondContact ND2-CD2 3.41Å
340C81Confident75.6Confident0 Ų054 Ų540%030%0.303CS..Hα-helixtrans-67.9-39.8174.7-57.40000111.6I336 P337 D338 R342 E343 L344 F389 I770 F772I336-C340 HydrophobicContact CG2-CB 3.58Å; P337-C340 WeakPolarHBondContact O-CA 3.36Å; P337-C340 VanDerWaalsContact O-CB 3.24Å; P337-C340 WeakPolarHBondContact O-CB 3.46Å; P337-C340 PolarHBondContact O-N 3.23Å; D338-C340 VanDerWaalsContact C-N 3.29Å; D338-C340 PolarHBondContact O-N 2.82Å; C340-R342 VanDerWaalsContact C-N 3.32Å; C340-R342 PolarHBondContact O-N 3.12Å; C340-E343 PolarHBondContact O-N 2.85Å; C340-L344 WeakPolarHBondContact O-CB 3.19Å; C340-L344 WeakPolarHBondContact O-CG 3.41Å; C340-L344 PolarHBondContact O-N 3.07Å; C340-F389 HydrophobicContact CB-CE1 4.39Å; C340-I770 WeakPolarHBondContact SG-CG2 3.48Å; C340-F772 HydrophobicContact CB-CE2 4.24Å; C340-F772 HydrophobicContact CB-CZ 4.37Å; C340-F772 WeakPolarHBondContact SG-CE2 3.48Å
341L79.1Confident73.6Confident31 Ų3154.6 Ų54.616%0.16230%0.303CS..Hα-helixtrans-58.6-45.4177.1-66.4178.1000111.3I336 P337 D338 L344 D345 L346I336-L341 HydrophobicContact CB-CD2 3.81Å; I336-L341 HydrophobicContact CB-CG 4.27Å; I336-L341 HydrophobicContact CD1-CD2 4.38Å; I336-L341 HydrophobicContact CG2-CD2 3.64Å; I336-L341 HydrophobicContact CG2-CG 3.93Å; P337-L341 PolarHBondContact O-N 2.85Å; D338-L341 WeakPolarHBondContact O-CB 3.31Å; D338-L341 PolarHBondContact O-N 3.16Å; L341-L344 CarbonylContact O-C 3.56Å; L341-L344 PolarHBondContact O-N 3.31Å; L341-D345 PolarHBondContact O-N 3.24Å; L341-D345 VanDerWaalsContact O-N 3.09Å; L341-L346 HydrophobicContact CB-CB 4.37Å; L341-L346 HydrophobicContact CD2-CB 4.08Å; L341-L346 HydrophobicContact CD2-CD1 3.5Å; L341-L346 HydrophobicContact CD2-CG 4.43Å; L341-L346 PolarHBondContact O-N 3.27Å
342R77.4Confident71.9Confident152 Ų15252.9 Ų52.957%0.57432%0.317SS*.Hα-helixtrans-60.5-45.8176.1-175.6-179.663.1-154.5-4.6112.5D338 C340 L344 D345D338-R342 PolarHBondContact O-N 3.49Å; C340-R342 VanDerWaalsContact C-N 3.32Å; C340-R342 PolarHBondContact O-N 3.12Å; R342-L344 VanDerWaalsContact C-N 3.29Å; R342-L344 PolarHBondContact O-N 2.94Å; R342-D345 PolarHBondContact O-N 3.15Å
343E77.1Confident70.7Confident64 Ų6453.6 Ų53.630%0.29932%0.322SS..Hα-helixtrans-70.5-26.5-179.9-60.3-57.914600112.7N339 C340 D345 N387 L400 F772N339-E343 VanDerWaalsContact O-CG 3.25Å; N339-E343 WeakPolarHBondContact O-CG 3.36Å; N339-E343 PolarHBondContact O-N 2.89Å; C340-E343 PolarHBondContact O-N 2.85Å; E343-D345 VanDerWaalsContact C-N 3.26Å; E343-N387 WeakPolarHBondContact O-CB 3.46Å; E343-L400 HydrophobicContact CB-CD2 3.76Å; E343-L400 HydrophobicContact CG-CD2 3.71Å; E343-L400 WeakPolarHBondContact OE2-CD2 3.45Å; E343-F772 HydrophobicContact CB-CZ 4.28Å; E343-F772 HydrophobicContact CG-CE1 4.45Å; E343-F772 HydrophobicContact CG-CE2 4.43Å; E343-F772 HydrophobicContact CG-CZ 4.12Å
344L78.8Confident69.6Low1 Ų152.4 Ų52.41%0.00532%0.316CS..THydrogen-bonded Turntrans-82.5-2.1170.4-67.2171.9000112.9C340 L341 R342 L346 V376 C378 F389C340-L344 WeakPolarHBondContact O-CB 3.19Å; C340-L344 WeakPolarHBondContact O-CG 3.41Å; C340-L344 PolarHBondContact O-N 3.07Å; L341-L344 CarbonylContact O-C 3.56Å; L341-L344 PolarHBondContact O-N 3.31Å; R342-L344 VanDerWaalsContact C-N 3.29Å; R342-L344 PolarHBondContact O-N 2.94Å; L344-L346 HydrophobicContact CB-CD1 3.79Å; L344-L346 HydrophobicContact CB-CG 3.68Å; L344-L346 HydrophobicContact CD1-CD1 3.81Å; L344-L346 HydrophobicContact CG-CD1 4.47Å; L344-L346 PolarHBondContact O-N 3.07Å; L344-V376 HydrophobicContact CD1-CG1 4.26Å; L344-V376 HydrophobicContact CD2-CG1 4.19Å; L344-C378 HydrophobicContact CB-CB 3.84Å; L344-C378 HydrophobicContact CD2-CB 3.74Å; L344-C378 HydrophobicContact CG-CB 4.33Å; L344-C378 VanDerWaalsContact O-CB 3.29Å; L344-C378 WeakPolarHBondContact O-CB 2.93Å; L344-C378 PolarHBondContact O-SG 2.93Å; L344-F389 HydrophobicContact CD1-CE1 3.93Å; L344-F389 HydrophobicContact CD2-CD1 4.13Å; L344-F389 HydrophobicContact CD2-CE1 3.85Å; L344-F389 HydrophobicContact CG-CD1 4.39Å; L344-F389 HydrophobicContact CG-CE1 3.82Å
345D73.4Confident68.6Low36 Ų3653 Ų5319%0.19332%0.32CS..THydrogen-bonded Turntrans55.935.1-176.5-153.8-0.6000112.4L341 R342 E343 D347 S348 N387 R403L341-D345 PolarHBondContact O-N 3.24Å; L341-D345 VanDerWaalsContact O-N 3.09Å; R342-D345 PolarHBondContact O-N 3.15Å; E343-D345 VanDerWaalsContact C-N 3.26Å; D345-D347 VanDerWaalsContact C-N 3.27Å; D345-D347 PolarHBondContact O-N 3.07Å; D345-S348 PolarHBondContact O-OG 3.47Å; D345-N387 VanDerWaalsContact CB-ND2 3.27Å; D345-N387 WeakPolarHBondContact CB-ND2 3.33Å; D345-R403 IonicContact OD2-CZ 2.64Å; D345-R403 IonicContact OD2-NH2 3.65Å; D345-R403 PolarHBondContact OD2-NH2 3.5Å; D345-R403 VanDerWaalsContact OD2-NH2 3.08Å
346L64.4Low68Low9 Ų951.2 Ų51.25%0.04730%0.304CS..THydrogen-bonded Turntrans-78.6-9.7-177.3-72.5175.7000113.5L341 L344 S348 S349 I354 I358 C378L341-L346 HydrophobicContact CB-CB 4.37Å; L341-L346 HydrophobicContact CD2-CB 4.08Å; L341-L346 HydrophobicContact CD2-CD1 3.5Å; L341-L346 HydrophobicContact CD2-CG 4.43Å; L341-L346 PolarHBondContact O-N 3.27Å; L344-L346 HydrophobicContact CB-CD1 3.79Å; L344-L346 HydrophobicContact CB-CG 3.68Å; L344-L346 HydrophobicContact CD1-CD1 3.81Å; L344-L346 HydrophobicContact CG-CD1 4.47Å; L344-L346 PolarHBondContact O-N 3.07Å; L346-S348 PolarHBondContact O-N 2.65Å; L346-S348 VanDerWaalsContact O-N 3.12Å; L346-S349 PolarHBondContact O-N 3.04Å; L346-I354 HydrophobicContact CD2-CG2 3.43Å; L346-I354 VanDerWaalsContact CD2-CG2 3.43Å; L346-I358 HydrophobicContact CD1-CD1 4.2Å; L346-I358 HydrophobicContact CD2-CD1 4.47Å; L346-C378 VanDerWaalsContact CD2-SG 3.58Å
347D59.4Low67.8Low113 Ų11351.4 Ų51.460%0.60431%0.305SS*.THydrogen-bonded Turntrans-63.1-15.8175.5-63.8-27.3000112.3D345 S349D345-D347 VanDerWaalsContact C-N 3.27Å; D345-D347 PolarHBondContact O-N 3.07Å; D347-S349 PolarHBondContact O-N 2.9Å
348S53Low68.1Low31 Ų3150.4 Ų50.422%0.21730%0.298CS..  trans-71.629.3169.264.70000113.9D345 L346 G350D345-S348 PolarHBondContact O-OG 3.47Å; L346-S348 PolarHBondContact O-N 2.65Å; L346-S348 VanDerWaalsContact O-N 3.12Å; S348-G350 PolarHBondContact O-N 3.14Å
349S48.2Very low68.6Low69 Ų6944.4 Ų44.448%0.48327%0.266SS..THydrogen-bonded Turntrans-65.97.1-168.169.60000116.2L346 D347 V351L346-S349 PolarHBondContact O-N 3.04Å; D347-S349 PolarHBondContact O-N 2.9Å; S349-V351 PolarHBondContact O-N 2.88Å
350G48.1Very low69.2Low81 Ų8143 Ų4384%0.83526%0.257SS*.THydrogen-bonded Turntrans-67-15.7171.200000113.6S348 G352S348-G350 PolarHBondContact O-N 3.14Å; G350-G352 PolarHBondContact O-N 2.93Å
351V48.7Very low69.4Low48 Ų4843.3 Ų43.329%0.29126%0.26SS..SBendtrans-92.296.7176.6-168.30000108.5S349 D353 R357S349-V351 PolarHBondContact O-N 2.88Å; V351-D353 PolarHBondContact O-N 3.16Å; V351-R357 PolarHBondContact O-NH2 2.65Å
352G55.6Low69.3Low69 Ų6942.5 Ų42.571%0.71126%0.256SS*.SBendtrans-52.2136.6164.500000108.4G350G350-G352 PolarHBondContact O-N 2.93Å
353D63.6Low68.9Low58 Ų5836.6 Ų36.631%0.3124%0.237SC..  trans104.154.5-170.5-160.21.6000115.3V351 H356 R357 S423V351-D353 PolarHBondContact O-N 3.16Å; D353-H356 WeakPolarHBondContact OD1-CB 3.18Å; D353-H356 IonicContact OD1-CD2 2.74Å; D353-H356 PolarHBondContact OD1-CD2 2.66Å; D353-H356 IonicContact OD1-CG 3.6Å; D353-H356 IonicContact OD1-NE2 2.86Å; D353-H356 IonicContact OD2-CD2 3.62Å; D353-H356 PolarHBondContact OD2-CD2 3.06Å; D353-R357 WeakPolarHBondContact O-CG 3.47Å; D353-R357 PolarHBondContact O-NE 3.05Å; D353-R357 VanDerWaalsContact O-NE 3.08Å; D353-S423 WeakPolarHBondContact OD2-CB 3.42Å
354I66.3Low68.2Low30 Ų3033.6 Ų33.615%0.15422%0.223CC..  trans-78.1-37.1177.7-56.4164.3000111.4L319 L346 H356 R357 I358L319-I354 HydrophobicContact CD1-CB 4.04Å; L319-I354 HydrophobicContact CD1-CG2 3.35Å; L319-I354 HydrophobicContact CG-CG2 4.29Å; L346-I354 HydrophobicContact CD2-CG2 3.43Å; L346-I354 VanDerWaalsContact CD2-CG2 3.43Å; I354-H356 PolarHBondContact O-N 2.98Å; I354-R357 WeakPolarHBondContact O-CB 3.37Å; I354-R357 PolarHBondContact O-N 3.44Å; I354-I358 HydrophobicContact CG2-CD1 3.98Å; I354-I358 PolarHBondContact O-N 3.22Å
355D65.2Low66.7Low31 Ų3135.6 Ų35.617%0.16624%0.236CC..THydrogen-bonded Turntrans-61.7-31.8-176.256.3-50.6000112.9R357 R424D355-R357 VanDerWaalsContact C-N 3.32Å; D355-R424 PolarHBondContact O-NH2 3.43Å
356H72.3Confident65.5Low44 Ų4435.2 Ų35.220%0.20424%0.241CC..THydrogen-bonded Turntrans-86-2.9175.4-56.3-34.4000114.1D353 I354 S423 R424D353-H356 WeakPolarHBondContact OD1-CB 3.18Å; D353-H356 IonicContact OD1-CD2 2.74Å; D353-H356 PolarHBondContact OD1-CD2 2.66Å; D353-H356 IonicContact OD1-CG 3.6Å; D353-H356 IonicContact OD1-NE2 2.86Å; D353-H356 IonicContact OD2-CD2 3.62Å; D353-H356 PolarHBondContact OD2-CD2 3.06Å; I354-H356 PolarHBondContact O-N 2.98Å; H356-S423 WeakPolarHBondContact CB-OG 3.49Å; H356-S423 WeakPolarHBondContact CD2-CB 3.2Å; H356-S423 PolarHBondContact CD2-OG 2.83Å; H356-R424 HydrophobicContact CB-CG 4.28Å; H356-R424 WeakPolarHBondContact O-CG 3.33Å
357R79Confident64.5Low11 Ų1137.1 Ų37.14%0.04226%0.255CS..THydrogen-bonded Turntrans-91.3-15.8171.8-69.5-175.2-79.2161.2-8113V351 D353 I354 D355 Y359 C378 F379V351-R357 PolarHBondContact O-NH2 2.65Å; D353-R357 WeakPolarHBondContact O-CG 3.47Å; D353-R357 PolarHBondContact O-NE 3.05Å; D353-R357 VanDerWaalsContact O-NE 3.08Å; I354-R357 WeakPolarHBondContact O-CB 3.37Å; I354-R357 PolarHBondContact O-N 3.44Å; D355-R357 VanDerWaalsContact C-N 3.32Å; R357-Y359 WeakPolarHBondContact O-CD2 3.13Å; R357-Y359 WeakPolarHBondContact O-CE2 3.27Å; R357-C378 CarbonylContact O-C 3.47Å; R357-C378 WeakPolarHBondContact O-CA 3.12Å; R357-F379 WeakPolarHBondContact CB-O 3.4Å; R357-F379 WeakPolarHBondContact CD-O 3.43Å; R357-F379 WeakPolarHBondContact CG-O 3.22Å; R357-F379 PolarHBondContact O-N 2.88Å
358I85.7Confident63.8Low1 Ų134 Ų341%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-99.6136.6-176-57.3170000111.4L310 L319 L346 I354 F360 V376 M377 C378 R424 P752L310-I358 HydrophobicContact CD1-CB 3.7Å; L310-I358 HydrophobicContact CD1-CD1 3.72Å; L310-I358 HydrophobicContact CD1-CG1 4.31Å; L310-I358 HydrophobicContact CD1-CG2 3.41Å; L310-I358 VanDerWaalsContact CD1-CG2 3.41Å; L319-I358 HydrophobicContact CD1-CD1 3.41Å; L319-I358 VanDerWaalsContact CD1-CD1 3.41Å; L346-I358 HydrophobicContact CD1-CD1 4.2Å; L346-I358 HydrophobicContact CD2-CD1 4.47Å; I354-I358 HydrophobicContact CG2-CD1 3.98Å; I354-I358 PolarHBondContact O-N 3.22Å; I358-F360 HydrophobicContact CG2-CD1 4.47Å; I358-F360 HydrophobicContact CG2-CE1 4.16Å; I358-V376 HydrophobicContact CG2-CG1 4.19Å; I358-M377 CarbonylContact C-O 3.5Å; I358-M377 VanDerWaalsContact CA-O 3.22Å; I358-M377 WeakPolarHBondContact CA-O 3.4Å; I358-C378 HydrophobicContact CG1-CB 4.47Å; I358-R424 PolarHBondContact O-NH1 3.33Å; I358-R424 PolarHBondContact O-NH2 3.38Å; I358-P752 HydrophobicContact CB-CG 4.45Å; I358-P752 HydrophobicContact CG2-CG 4.45Å; I358-P752 WeakPolarHBondContact O-CG 3.11Å
359Y88.3Confident63.6Low5 Ų533.7 Ų33.72%0.0225%0.247CC..EExtended strand (participates in β ladder)trans-122.9136.8-179.1-58.4-102.1000109.6R357 V376 M377 F379 I426 V428R357-Y359 WeakPolarHBondContact O-CD2 3.13Å; R357-Y359 WeakPolarHBondContact O-CE2 3.27Å; Y359-V376 WeakPolarHBondContact O-CA 3.4Å; Y359-M377 PolarHBondContact N-O 3.19Å; Y359-M377 PolarHBondContact O-N 3.46Å; Y359-F379 HydrophobicContact CE2-CB 4.09Å; Y359-I426 HydrophobicContact CE1-CG1 4.47Å; Y359-I426 HydrophobicContact CE2-CD1 4.22Å; Y359-I426 HydrophobicContact CE2-CG1 4.07Å; Y359-I426 WeakPolarHBondContact OH-CG1 3.4Å; Y359-I426 PolarHBondContact OH-O 3.23Å; Y359-I426 VanDerWaalsContact OH-O 3.05Å; Y359-V428 HydrophobicContact CD1-CB 3.77Å; Y359-V428 HydrophobicContact CD1-CG2 3.62Å; Y359-V428 HydrophobicContact CD2-CG2 4.12Å; Y359-V428 HydrophobicContact CE1-CB 4.4Å; Y359-V428 HydrophobicContact CE1-CG2 3.93Å; Y359-V428 HydrophobicContact CE2-CG2 4.4Å; Y359-V428 HydrophobicContact CG-CB 4.08Å; Y359-V428 HydrophobicContact CG-CG2 3.76Å
360F88.8Confident63.9Low19 Ų1934 Ų348%0.08324%0.238CC..EExtended strand (participates in β ladder)trans-111.3112.9169.5-70.2-18.9000108.6L308 L310 F321 I358 L374 F375 V376 P752 A754L308-F360 HydrophobicContact CD2-CD2 4.12Å; L308-F360 HydrophobicContact CD2-CE1 4.3Å; L308-F360 HydrophobicContact CD2-CE2 3.75Å; L308-F360 HydrophobicContact CD2-CZ 3.83Å; L308-F360 HydrophobicContact CG-CD2 4.31Å; L308-F360 HydrophobicContact CG-CE2 3.7Å; L308-F360 HydrophobicContact CG-CZ 4.07Å; L310-F360 HydrophobicContact CD1-CE1 4.09Å; L310-F360 HydrophobicContact CD1-CE2 4.37Å; L310-F360 HydrophobicContact CD1-CZ 3.73Å; L310-F360 HydrophobicContact CD2-CZ 3.82Å; L310-F360 HydrophobicContact CG-CE1 4.28Å; L310-F360 HydrophobicContact CG-CE2 3.96Å; L310-F360 HydrophobicContact CG-CZ 3.45Å; L310-F360 VanDerWaalsContact CG-CZ 3.45Å; F321-F360 AromaticContact CD1-CZ 4Å; F321-F360 HydrophobicContact CD1-CZ 4Å; F321-F360 AromaticContact CE1-CE1 3.94Å; F321-F360 HydrophobicContact CE1-CE1 3.94Å; F321-F360 AromaticContact CE1-CZ 3.74Å; F321-F360 HydrophobicContact CE1-CZ 3.74Å; I358-F360 HydrophobicContact CG2-CD1 4.47Å; I358-F360 HydrophobicContact CG2-CE1 4.16Å; F360-L374 HydrophobicContact CB-CD1 4Å; F360-L374 HydrophobicContact CB-CD2 4.03Å; F360-L374 HydrophobicContact CB-CG 4.36Å; F360-L374 HydrophobicContact CD1-CD2 3.91Å; F360-L374 HydrophobicContact CD2-CD2 4.44Å; F360-L374 HydrophobicContact CE1-CD2 4.47Å; F360-L374 HydrophobicContact CG-CD2 3.89Å; F360-F375 WeakPolarHBondContact CA-O 3.47Å; F360-V376 HydrophobicContact CD1-CB 4.48Å; F360-V376 HydrophobicContact CD1-CG1 4.33Å; F360-V376 HydrophobicContact CD1-CG2 4Å; F360-V376 HydrophobicContact CE1-CB 4.39Å; F360-V376 HydrophobicContact CE1-CG1 3.92Å; F360-V376 HydrophobicContact CE1-CG2 3.85Å; F360-P752 HydrophobicContact CB-CB 4.35Å; F360-P752 HydrophobicContact CD2-CB 3.98Å; F360-P752 HydrophobicContact CD2-CG 4.32Å; F360-P752 WeakPolarHBondContact CD2-O 3.5Å; F360-P752 HydrophobicContact CE2-CG 4.37Å; F360-P752 HydrophobicContact CG-CB 4.1Å; F360-A754 HydrophobicContact CB-CB 4.09Å
361C86.1Confident64.8Low7 Ų730.9 Ų30.95%0.04720%0.202CC..EExtended strand (participates in β ladder)trans-122.3109.3178.9-59.30000109.2V363 L374 F375 M377 L435C361-V363 PolarHBondContact O-N 3.16Å; C361-L374 VanDerWaalsContact C-CD1 3.48Å; C361-F375 HydrophobicContact CB-CB 4.26Å; C361-F375 PolarHBondContact N-O 3.28Å; C361-F375 WeakPolarHBondContact O-CB 3.33Å; C361-F375 PolarHBondContact O-N 2.8Å; C361-M377 HydrophobicContact CB-CE 3.77Å; C361-M377 WeakPolarHBondContact SG-CE 3.4Å; C361-L435 HydrophobicContact CB-CD1 3.74Å
362P76.9Confident66.1Low13 Ų1329.9 Ų29.98%0.08420%0.196CC..EExtended strand (participates in β ladder)trans-60.1140179.1-20.730.6000110.9T364 Q371 L374 T430 A754P362-T364 HydrophobicContact CB-CG2 4.24Å; P362-T364 PolarHBondContact O-N 2.93Å; P362-T364 VanDerWaalsContact O-N 3.07Å; P362-Q371 HydrophobicContact CB-CG 4.31Å; P362-L374 HydrophobicContact CB-CD1 4.27Å; P362-L374 HydrophobicContact CG-CD1 4Å; P362-T430 PolarHBondContact O-OG1 3.11Å; P362-T430 VanDerWaalsContact O-OG1 3.11Å; P362-A754 HydrophobicContact CG-CB 4.21Å
363V68.2Low67.3Low28 Ų2828.3 Ų28.317%0.1717%0.174CC..  trans-75.3102.2175.2-170.70000107.2C361 S373 F375 L456C361-V363 PolarHBondContact O-N 3.16Å; V363-S373 PolarHBondContact N-O 2.99Å; V363-S373 VanDerWaalsContact N-O 3.09Å; V363-F375 HydrophobicContact CB-CD2 4.46Å; V363-F375 HydrophobicContact CB-CE2 4.05Å; V363-F375 HydrophobicContact CG1-CE2 3.97Å; V363-F375 HydrophobicContact CG1-CZ 4.43Å; V363-F375 HydrophobicContact CG2-CD2 3.54Å; V363-F375 HydrophobicContact CG2-CE2 3.35Å; V363-F375 HydrophobicContact CG2-CG 4.24Å; V363-F375 HydrophobicContact CG2-CZ 3.92Å; V363-L456 HydrophobicContact CG1-CD1 4.12Å; V363-L456 HydrophobicContact CG1-CD2 4.1Å
364T62Low68.4Low2 Ų225.5 Ų25.51%0.01216%0.159CC..  trans-126.6138.2177.258.40000111.1P362 Q371 T430 I488P362-T364 HydrophobicContact CB-CG2 4.24Å; P362-T364 PolarHBondContact O-N 2.93Å; P362-T364 VanDerWaalsContact O-N 3.07Å; T364-Q371 HydrophobicContact CG2-CG 3.67Å; T364-T430 WeakPolarHBondContact OG1-CG2 3.22Å; T364-I488 HydrophobicContact CG2-CD1 4.44Å; T364-I488 HydrophobicContact CG2-CG1 4.47Å; T364-I488 WeakPolarHBondContact OG1-CD1 3.29Å; T364-I488 WeakPolarHBondContact OG1-CG1 3.4Å
365C48.1Very low69.5Low42 Ų4224.2 Ų24.228%0.28415%0.152SC..SBendtrans-125.1109.5153.1-47.80000104.8I283I283-C365 HydrophobicContact CD1-CB 3.83Å; I283-C365 HydrophobicContact CG1-CB 3.74Å
366G47.5Very low70.8Confident28 Ų2822.7 Ų22.729%0.28914%0.144SC..SBendtrans87.4158.317700000116.2
367S43.3Very low71.7Confident50 Ų5020.6 Ų20.635%0.3514%0.135SC..THydrogen-bonded Turntrans-78.4115.9179.843.70000110.9T686S367-T686 PolarHBondContact OG-O 3.39Å
368G45.1Very low72.2Confident46 Ų4620.1 Ų20.147%0.47413%0.133SC..THydrogen-bonded Turntrans113.27.2165.700000118.1
369S49.3Very low72.2Confident25 Ų2520.2 Ų20.218%0.17513%0.133CC..  trans-83.5140.1172.155.90000111.9Q371S369-Q371 PolarHBondContact O-N 3.01Å
370Y53.2Low71.9Confident76 Ų7620 Ų2030%0.29813%0.132SC..  trans-65.3113.3171.8-70.4-76000109.8L295 P300 T372 L640 R643 L757L295-Y370 HydrophobicContact CD2-CE2 4.41Å; P300-Y370 HydrophobicContact CG-CD2 4.48Å; P300-Y370 HydrophobicContact CG-CG 4.21Å; Y370-T372 PolarHBondContact O-N 3.27Å; Y370-L640 HydrophobicContact CD1-CD2 4.06Å; Y370-R643 WeakPolarHBondContact OH-CD 3.27Å; Y370-R643 VanDerWaalsContact OH-CZ 3.28Å; Y370-R643 PolarHBondContact OH-NE 2.83Å; Y370-R643 PolarHBondContact OH-NH1 2.96Å; Y370-L757 HydrophobicContact CD1-CD2 4.22Å; Y370-L757 HydrophobicContact CG-CD2 4.36Å
371Q66.9Low71.2Confident16 Ų1620 Ų208%0.07513%0.134CC..  trans-83.6101.7-177.7-66.3158.318.400109.7P362 T364 S369 V756 L757P362-Q371 HydrophobicContact CB-CG 4.31Å; T364-Q371 HydrophobicContact CG2-CG 3.67Å; S369-Q371 PolarHBondContact O-N 3.01Å; Q371-V756 CarbonylContact O-C 3.5Å; Q371-L757 PolarHBondContact O-N 2.74Å
372T75.7Confident70.6Confident27 Ų2724.5 Ų24.517%0.16616%0.158CC..  trans-87.1-14.7168.755.90000112.9P300 A302 Y370 C392 L393 A394 L757P300-T372 HydrophobicContact CB-CG2 3.38Å; P300-T372 HydrophobicContact CG-CG2 4.24Å; A302-T372 HydrophobicContact CB-CG2 4.14Å; Y370-T372 PolarHBondContact O-N 3.27Å; T372-C392 CarbonylContact O-C 3.52Å; T372-C392 WeakPolarHBondContact O-CA 3.41Å; T372-L393 PolarHBondContact O-N 2.83Å; T372-A394 HydrophobicContact CG2-CB 3.79Å; T372-L757 WeakPolarHBondContact CA-O 3.25Å; T372-L757 HydrophobicContact CG2-CB 4.33Å; T372-L757 HydrophobicContact CG2-CD2 4.36Å
373S81.2Confident70.5Confident35 Ų3528.1 Ų28.125%0.24518%0.176CC..EExtended strand (participates in β ladder)trans-118.2142.7-171.7-59.10000111.6V363 W391V363-S373 PolarHBondContact N-O 2.99Å; V363-S373 VanDerWaalsContact N-O 3.09Å; S373-W391 CarbonylContact C-O 3.5Å; S373-W391 VanDerWaalsContact CA-O 3.26Å; S373-W391 WeakPolarHBondContact CA-O 3.41Å
374L87.4Confident71Confident0 Ų027.3 Ų27.30%017%0.173CC..EExtended strand (participates in β ladder)trans-136.6138-178.7-178.176.7000109.6L308 F360 C361 P362 V376 A390 W391 L393 A754 V756L308-L374 HydrophobicContact CD2-CD2 3.28Å; F360-L374 HydrophobicContact CB-CD1 4Å; F360-L374 HydrophobicContact CB-CD2 4.03Å; F360-L374 HydrophobicContact CB-CG 4.36Å; F360-L374 HydrophobicContact CD1-CD2 3.91Å; F360-L374 HydrophobicContact CD2-CD2 4.44Å; F360-L374 HydrophobicContact CE1-CD2 4.47Å; F360-L374 HydrophobicContact CG-CD2 3.89Å; C361-L374 VanDerWaalsContact C-CD1 3.48Å; P362-L374 HydrophobicContact CB-CD1 4.27Å; P362-L374 HydrophobicContact CG-CD1 4Å; L374-V376 HydrophobicContact CD2-CG2 4.2Å; L374-A390 CarbonylContact O-C 3.54Å; L374-A390 WeakPolarHBondContact O-CA 3.3Å; L374-W391 PolarHBondContact N-O 3.04Å; L374-W391 PolarHBondContact O-N 2.86Å; L374-L393 HydrophobicContact CB-CD1 4.3Å; L374-A754 HydrophobicContact CD1-CB 3.66Å; L374-V756 HydrophobicContact CB-CG1 4.27Å; L374-V756 HydrophobicContact CD1-CG1 4.23Å
375F90Very high72.1Confident2 Ų227.2 Ų27.21%0.00917%0.172CC..EExtended strand (participates in β ladder)trans-81125.7163.8-67.2-75.7000110.3F360 C361 V363 M377 F389 A390 I401 L435 F454 L456 W459F360-F375 WeakPolarHBondContact CA-O 3.47Å; C361-F375 HydrophobicContact CB-CB 4.26Å; C361-F375 PolarHBondContact N-O 3.28Å; C361-F375 WeakPolarHBondContact O-CB 3.33Å; C361-F375 PolarHBondContact O-N 2.8Å; V363-F375 HydrophobicContact CB-CD2 4.46Å; V363-F375 HydrophobicContact CB-CE2 4.05Å; V363-F375 HydrophobicContact CG1-CE2 3.97Å; V363-F375 HydrophobicContact CG1-CZ 4.43Å; V363-F375 HydrophobicContact CG2-CD2 3.54Å; V363-F375 HydrophobicContact CG2-CE2 3.35Å; V363-F375 HydrophobicContact CG2-CG 4.24Å; V363-F375 HydrophobicContact CG2-CZ 3.92Å; F375-M377 HydrophobicContact CB-CE 3.7Å; F375-M377 HydrophobicContact CB-CG 4.41Å; F375-M377 HydrophobicContact CB-SD 4.4Å; F375-F389 WeakPolarHBondContact CA-O 3.13Å; F375-A390 HydrophobicContact CD1-CB 3.87Å; F375-A390 HydrophobicContact CE1-CB 3.74Å; F375-I401 HydrophobicContact CD1-CG2 3.88Å; F375-I401 HydrophobicContact CE1-CG2 3.68Å; F375-L435 HydrophobicContact CB-CD2 4.44Å; F375-L435 HydrophobicContact CD1-CD2 4.3Å; F375-L435 HydrophobicContact CD2-CD2 3.65Å; F375-L435 HydrophobicContact CE1-CD2 4.49Å; F375-L435 HydrophobicContact CE2-CB 4.46Å; F375-L435 HydrophobicContact CE2-CD2 3.87Å; F375-L435 HydrophobicContact CG-CD2 3.89Å; F375-L435 HydrophobicContact CZ-CD2 4.29Å; F375-F454 HydrophobicContact CE1-CD1 4.19Å; F375-F454 AromaticContact CE1-CE1 3.8Å; F375-F454 HydrophobicContact CE1-CE1 3.8Å; F375-F454 AromaticContact CZ-CD1 3.87Å; F375-F454 HydrophobicContact CZ-CD1 3.87Å; F375-F454 AromaticContact CZ-CE1 3.72Å; F375-F454 HydrophobicContact CZ-CE1 3.72Å; F375-L456 HydrophobicContact CE2-CD2 4.1Å; F375-L456 HydrophobicContact CZ-CD2 3.59Å; F375-W459 HydrophobicContact CE1-CH2 4.2Å
376V91.7Very high74.1Confident0 Ų025.2 Ų25.20%016%0.159CC..EExtended strand (participates in β ladder)trans-105.8112.7168.1-178.80000107L344 I358 Y359 F360 L374 G388 F389 W391L344-V376 HydrophobicContact CD1-CG1 4.26Å; L344-V376 HydrophobicContact CD2-CG1 4.19Å; I358-V376 HydrophobicContact CG2-CG1 4.19Å; Y359-V376 WeakPolarHBondContact O-CA 3.4Å; F360-V376 HydrophobicContact CD1-CB 4.48Å; F360-V376 HydrophobicContact CD1-CG1 4.33Å; F360-V376 HydrophobicContact CD1-CG2 4Å; F360-V376 HydrophobicContact CE1-CB 4.39Å; F360-V376 HydrophobicContact CE1-CG1 3.92Å; F360-V376 HydrophobicContact CE1-CG2 3.85Å; L374-V376 HydrophobicContact CD2-CG2 4.2Å; V376-G388 CarbonylContact O-C 3.57Å; V376-G388 WeakPolarHBondContact O-CA 3.38Å; V376-F389 HydrophobicContact CB-CD2 4.24Å; V376-F389 HydrophobicContact CB-CE1 4.17Å; V376-F389 HydrophobicContact CB-CE2 3.79Å; V376-F389 HydrophobicContact CB-CZ 3.75Å; V376-F389 HydrophobicContact CG1-CE1 4.15Å; V376-F389 HydrophobicContact CG1-CE2 4.41Å; V376-F389 HydrophobicContact CG1-CZ 3.87Å; V376-F389 HydrophobicContact CG2-CE2 3.88Å; V376-F389 HydrophobicContact CG2-CZ 4.14Å; V376-F389 PolarHBondContact N-O 3.35Å; V376-F389 PolarHBondContact O-N 3.05Å; V376-W391 HydrophobicContact CG2-CE3 4.32Å
377M91.3Very high76.1Confident0 Ų024.5 Ų24.50%015%0.148CC..EExtended strand (participates in β ladder)trans-123.6144.8-176.5-67.9171.1-76.800110.8I358 Y359 C361 F375 L386 N387 I401 V428 L435 W461I358-M377 CarbonylContact C-O 3.5Å; I358-M377 VanDerWaalsContact CA-O 3.22Å; I358-M377 WeakPolarHBondContact CA-O 3.4Å; Y359-M377 PolarHBondContact N-O 3.19Å; Y359-M377 PolarHBondContact O-N 3.46Å; C361-M377 HydrophobicContact CB-CE 3.77Å; C361-M377 WeakPolarHBondContact SG-CE 3.4Å; F375-M377 HydrophobicContact CB-CE 3.7Å; F375-M377 HydrophobicContact CB-CG 4.41Å; F375-M377 HydrophobicContact CB-SD 4.4Å; M377-L386 HydrophobicContact CB-CD1 3.95Å; M377-L386 HydrophobicContact CB-CG 4.47Å; M377-L386 HydrophobicContact SD-CD2 4.09Å; M377-N387 CarbonylContact C-O 3.58Å; M377-N387 VanDerWaalsContact CA-O 3.25Å; M377-N387 WeakPolarHBondContact CA-O 3.49Å; M377-I401 HydrophobicContact CG-CD1 3.83Å; M377-I401 HydrophobicContact SD-CD1 4.1Å; M377-V428 HydrophobicContact CE-CB 4.4Å; M377-V428 HydrophobicContact CE-CG1 3.35Å; M377-V428 HydrophobicContact SD-CG1 3.95Å; M377-L435 HydrophobicContact CE-CD1 4.16Å; M377-L435 HydrophobicContact CE-CD2 4.02Å; M377-L435 HydrophobicContact SD-CD2 4Å; M377-W461 HydrophobicContact SD-CH2 4.45Å; M377-W461 HydrophobicContact SD-CZ2 4.39Å
378C89.1Confident78.4Confident0 Ų022.2 Ų22.20%013%0.133CC..EExtended strand (participates in β ladder)trans-124.6125.6175.7-178.30000109.5L344 L346 R357 I358 N387L344-C378 HydrophobicContact CB-CB 3.84Å; L344-C378 HydrophobicContact CD2-CB 3.74Å; L344-C378 HydrophobicContact CG-CB 4.33Å; L344-C378 VanDerWaalsContact O-CB 3.29Å; L344-C378 WeakPolarHBondContact O-CB 2.93Å; L344-C378 PolarHBondContact O-SG 2.93Å; L346-C378 VanDerWaalsContact CD2-SG 3.58Å; R357-C378 CarbonylContact O-C 3.47Å; R357-C378 WeakPolarHBondContact O-CA 3.12Å; I358-C378 HydrophobicContact CG1-CB 4.47Å; C378-N387 PolarHBondContact N-O 3.21Å; C378-N387 PolarHBondContact O-N 3.37Å
379F86.3Confident80.6Confident4 Ų420 Ų202%0.01811%0.11CC..EExtended strand (participates in β ladder)trans-92.5120.1171.6175.3-115.3000110.5R357 Y359 P381 T385 L386 L406 I416 R425 I426R357-F379 WeakPolarHBondContact CB-O 3.4Å; R357-F379 WeakPolarHBondContact CD-O 3.43Å; R357-F379 WeakPolarHBondContact CG-O 3.22Å; R357-F379 PolarHBondContact O-N 2.88Å; Y359-F379 HydrophobicContact CE2-CB 4.09Å; F379-P381 HydrophobicContact CE1-CB 3.86Å; F379-P381 HydrophobicContact CZ-CB 4.32Å; F379-P381 WeakPolarHBondContact O-CD 3.21Å; F379-T385 WeakPolarHBondContact CA-O 3.37Å; F379-T385 WeakPolarHBondContact CD2-O 3.28Å; F379-L386 HydrophobicContact CB-CD1 4.24Å; F379-L406 HydrophobicContact CD2-CD1 4.08Å; F379-L406 HydrophobicContact CE2-CD1 3.53Å; F379-L406 HydrophobicContact CZ-CD1 4.41Å; F379-I416 HydrophobicContact CZ-CD1 4.33Å; F379-R425 HydrophobicContact CD1-CB 4.49Å; F379-R425 HydrophobicContact CE1-CB 3.83Å; F379-R425 HydrophobicContact CE1-CG 4.29Å; F379-I426 HydrophobicContact CB-CD1 3.62Å; F379-I426 HydrophobicContact CB-CG1 4.07Å; F379-I426 HydrophobicContact CD1-CG1 4.37Å; F379-I426 HydrophobicContact CD1-CG2 4.26Å; F379-I426 HydrophobicContact CD2-CD1 3.82Å; F379-I426 HydrophobicContact CD2-CG1 4.36Å; F379-I426 HydrophobicContact CD2-CG2 3.98Å; F379-I426 HydrophobicContact CE1-CG2 4.16Å; F379-I426 HydrophobicContact CE2-CG2 3.91Å; F379-I426 HydrophobicContact CG-CD1 3.74Å; F379-I426 HydrophobicContact CG-CG1 3.99Å; F379-I426 HydrophobicContact CG-CG2 4.16Å; F379-I426 HydrophobicContact CZ-CG2 3.98Å
380D81.3Confident82.4Confident0 Ų019.5 Ų19.50%011%0.107CC..EExtended strand (participates in β ladder)trans-94.8110.1170.2-179.411.8000110.5N382 N383 A384 T385D380-N382 VanDerWaalsContact C-N 3.29Å; D380-N382 PolarHBondContact O-N 3.41Å; D380-N382 WeakPolarHBondContact OD1-CB 3.33Å; D380-N382 PolarHBondContact OD1-N 2.96Å; D380-N383 WeakPolarHBondContact OD2-CB 3.49Å; D380-N383 VanDerWaalsContact OD2-CG 3.26Å; D380-N383 PolarHBondContact OD2-N 3.4Å; D380-N383 PolarHBondContact OD2-ND2 3.35Å; D380-A384 WeakPolarHBondContact O-CA 3.4Å; D380-A384 PolarHBondContact O-N 3.02Å; D380-T385 PolarHBondContact N-O 3.18Å; D380-T385 PolarHBondContact O-N 3.21Å; D380-T385 VanDerWaalsContact O-N 3.08Å
381P74.5Confident84Confident20 Ų2015.9 Ų15.913%0.139%0.093CC..THydrogen-bonded Turntrans-70.4-21.7176.929.3-35.1000113.7F379F379-P381 HydrophobicContact CE1-CB 3.86Å; F379-P381 HydrophobicContact CZ-CB 4.32Å; F379-P381 WeakPolarHBondContact O-CD 3.21Å
382N74.1Confident84.8Confident101 Ų10116.3 Ų16.354%0.5410%0.098SC..THydrogen-bonded Turntrans-73.2-44.7-177.8-62.9-38000110.7D380D380-N382 VanDerWaalsContact C-N 3.29Å; D380-N382 PolarHBondContact O-N 3.41Å; D380-N382 WeakPolarHBondContact OD1-CB 3.33Å; D380-N382 PolarHBondContact OD1-N 2.96Å
383N74Confident85.3Confident88 Ų8815 Ų1547%0.4719%0.09SC..THydrogen-bonded Turntrans-95.1-2.3178.9-64.1-33.5000113.4D380 T385D380-N383 WeakPolarHBondContact OD2-CB 3.49Å; D380-N383 VanDerWaalsContact OD2-CG 3.26Å; D380-N383 PolarHBondContact OD2-N 3.4Å; D380-N383 PolarHBondContact OD2-ND2 3.35Å; N383-T385 VanDerWaalsContact C-N 3.3Å; N383-T385 HydrophobicContact CB-CG2 4.16Å; N383-T385 WeakPolarHBondContact O-CG2 3.44Å; N383-T385 PolarHBondContact O-N 3.43Å
384A78.6Confident85.1Confident12 Ų1213.8 Ų13.810%0.0998%0.082CC..THydrogen-bonded Turntrans53.647.2-174.600000111.8D380 L406 I416D380-A384 WeakPolarHBondContact O-CA 3.4Å; D380-A384 PolarHBondContact O-N 3.02Å; A384-L406 HydrophobicContact CB-CB 4.37Å; A384-L406 VanDerWaalsContact O-CB 3.26Å; A384-L406 WeakPolarHBondContact O-CB 3.47Å; A384-L406 WeakPolarHBondContact O-CG 3.13Å; A384-L406 PolarHBondContact O-N 3.28Å; A384-I416 HydrophobicContact CB-CD1 3.41Å; A384-I416 VanDerWaalsContact CB-CD1 3.41Å; A384-I416 HydrophobicContact CB-CG1 4.05Å
385T84.9Confident84.4Confident0 Ų014.6 Ų14.60%09%0.088CC..EExtended strand (participates in β ladder)trans-126.4144.9-174.551.70000112.8F379 D380 N383 R403 L404 L405F379-T385 WeakPolarHBondContact CA-O 3.37Å; F379-T385 WeakPolarHBondContact CD2-O 3.28Å; D380-T385 PolarHBondContact N-O 3.18Å; D380-T385 PolarHBondContact O-N 3.21Å; D380-T385 VanDerWaalsContact O-N 3.08Å; N383-T385 VanDerWaalsContact C-N 3.3Å; N383-T385 HydrophobicContact CB-CG2 4.16Å; N383-T385 WeakPolarHBondContact O-CG2 3.44Å; N383-T385 PolarHBondContact O-N 3.43Å; T385-R403 HydrophobicContact CG2-CG 4.34Å; T385-R403 PolarHBondContact OG1-NH2 3.23Å; T385-L404 CarbonylContact C-O 3.58Å; T385-L404 VanDerWaalsContact CA-O 3.27Å; T385-L404 WeakPolarHBondContact CA-O 3.49Å; T385-L405 HydrophobicContact CG2-CD2 3.36Å; T385-L405 HydrophobicContact CG2-CG 4.21Å
386L90.1Very high83.9Confident0 Ų014.6 Ų14.60%09%0.088CC..EExtended strand (participates in β ladder)trans-105.8118.9166.8-174.871.4000109.2M377 F379 L404 I426 M437 W461M377-L386 HydrophobicContact CB-CD1 3.95Å; M377-L386 HydrophobicContact CB-CG 4.47Å; M377-L386 HydrophobicContact SD-CD2 4.09Å; F379-L386 HydrophobicContact CB-CD1 4.24Å; L386-L404 HydrophobicContact CB-CB 4.23Å; L386-L404 PolarHBondContact N-O 3.04Å; L386-L404 PolarHBondContact O-N 3.46Å; L386-I426 HydrophobicContact CD1-CD1 3.69Å; L386-M437 HydrophobicContact CD2-CB 4.16Å; L386-M437 HydrophobicContact CD2-CG 4.01Å; L386-W461 HydrophobicContact CD2-CH2 3.84Å; L386-W461 HydrophobicContact CD2-CZ2 3.68Å
387N90.5Very high83.3Confident12 Ų1218.8 Ų18.86%0.06410%0.103CC..EExtended strand (participates in β ladder)trans-113.4162175.2-59.6-45.7000109.5E343 D345 M377 C378 R403E343-N387 WeakPolarHBondContact O-CB 3.46Å; D345-N387 VanDerWaalsContact CB-ND2 3.27Å; D345-N387 WeakPolarHBondContact CB-ND2 3.33Å; M377-N387 CarbonylContact C-O 3.58Å; M377-N387 VanDerWaalsContact CA-O 3.25Å; M377-N387 WeakPolarHBondContact CA-O 3.49Å; C378-N387 PolarHBondContact N-O 3.21Å; C378-N387 PolarHBondContact O-N 3.37Å; N387-R403 WeakPolarHBondContact OD1-CD 3.31Å; N387-R403 WeakPolarHBondContact OD1-CG 3.07Å; N387-R403 PolarHBondContact OD1-NE 2.65Å
388G91.3Very high83Confident3 Ų318.8 Ų18.83%0.03110%0.104CC..EExtended strand (participates in β ladder)trans168.4-171.7175.600000115V376 I401V376-G388 CarbonylContact O-C 3.57Å; V376-G388 WeakPolarHBondContact O-CA 3.38Å; G388-I401 WeakPolarHBondContact O-CG1 2.99Å; G388-I401 PolarHBondContact O-N 3.26Å; G388-I401 VanDerWaalsContact O-N 3.11Å
389F90.7Very high82.8Confident0 Ų022.9 Ų22.90%012%0.121CC..EExtended strand (participates in β ladder)trans-151.9155.717554.5-91.1000111.4C340 L344 F375 V376 W391 A398 K399 L400 I770 F772C340-F389 HydrophobicContact CB-CE1 4.39Å; L344-F389 HydrophobicContact CD1-CE1 3.93Å; L344-F389 HydrophobicContact CD2-CD1 4.13Å; L344-F389 HydrophobicContact CD2-CE1 3.85Å; L344-F389 HydrophobicContact CG-CD1 4.39Å; L344-F389 HydrophobicContact CG-CE1 3.82Å; F375-F389 WeakPolarHBondContact CA-O 3.13Å; V376-F389 HydrophobicContact CB-CD2 4.24Å; V376-F389 HydrophobicContact CB-CE1 4.17Å; V376-F389 HydrophobicContact CB-CE2 3.79Å; V376-F389 HydrophobicContact CB-CZ 3.75Å; V376-F389 HydrophobicContact CG1-CE1 4.15Å; V376-F389 HydrophobicContact CG1-CE2 4.41Å; V376-F389 HydrophobicContact CG1-CZ 3.87Å; V376-F389 HydrophobicContact CG2-CE2 3.88Å; V376-F389 HydrophobicContact CG2-CZ 4.14Å; V376-F389 PolarHBondContact N-O 3.35Å; V376-F389 PolarHBondContact O-N 3.05Å; F389-W391 HydrophobicContact CD2-CB 3.97Å; F389-W391 HydrophobicContact CE2-CB 3.88Å; F389-W391 HydrophobicContact CE2-CG 4.44Å; F389-A398 HydrophobicContact CD2-CB 3.8Å; F389-A398 HydrophobicContact CE2-CB 4.37Å; F389-A398 HydrophobicContact CG-CB 4.4Å; F389-K399 CarbonylContact C-O 3.55Å; F389-K399 VanDerWaalsContact CA-O 3.27Å; F389-K399 WeakPolarHBondContact CA-O 3.26Å; F389-K399 WeakPolarHBondContact CB-O 3.44Å; F389-L400 HydrophobicContact CB-CD2 4.36Å; F389-I770 HydrophobicContact CE2-CG2 4.26Å; F389-I770 HydrophobicContact CZ-CD1 4.45Å; F389-F772 HydrophobicContact CB-CE1 3.8Å; F389-F772 AromaticContact CD1-CE1 3.94Å; F389-F772 HydrophobicContact CD1-CE1 3.94Å; F389-F772 AromaticContact CD1-CZ 3.86Å; F389-F772 HydrophobicContact CD1-CZ 3.86Å; F389-F772 HydrophobicContact CD2-CE1 4.38Å; F389-F772 HydrophobicContact CE1-CZ 4.14Å; F389-F772 AromaticContact CG-CE1 3.8Å; F389-F772 HydrophobicContact CG-CE1 3.8Å; F389-F772 HydrophobicContact CG-CZ 4.12Å
390A87.6Confident82.8Confident13 Ų1326.2 Ų26.211%0.10714%0.139CC..EExtended strand (participates in β ladder)trans-87.7128163.800000109L374 F375 A398 K399 W459L374-A390 CarbonylContact O-C 3.54Å; L374-A390 WeakPolarHBondContact O-CA 3.3Å; F375-A390 HydrophobicContact CD1-CB 3.87Å; F375-A390 HydrophobicContact CE1-CB 3.74Å; A390-A398 CarbonylContact O-C 3.57Å; A390-A398 WeakPolarHBondContact O-CA 3.25Å; A390-K399 PolarHBondContact N-O 3.46Å; A390-K399 PolarHBondContact O-N 2.8Å; A390-W459 HydrophobicContact CB-CH2 3.67Å; A390-W459 HydrophobicContact CB-CZ2 4.07Å
391W87Confident83.1Confident0 Ų026.7 Ų26.70%014%0.142CC..EExtended strand (participates in β ladder)trans-116.6122.1179.5178.730.1000110.4L308 F321 Y334 S373 L374 V376 F389 L393 P769 I770L308-W391 HydrophobicContact CD1-CH2 4.3Å; L308-W391 HydrophobicContact CD1-CZ3 3.98Å; L308-W391 HydrophobicContact CD2-CE3 4.35Å; L308-W391 HydrophobicContact CD2-CZ3 3.75Å; F321-W391 HydrophobicContact CD1-CZ3 4.28Å; F321-W391 HydrophobicContact CE1-CZ3 4.32Å; Y334-W391 WeakPolarHBondContact OH-CH2 3.11Å; Y334-W391 WeakPolarHBondContact OH-CZ2 2.86Å; S373-W391 CarbonylContact C-O 3.5Å; S373-W391 VanDerWaalsContact CA-O 3.26Å; S373-W391 WeakPolarHBondContact CA-O 3.41Å; L374-W391 PolarHBondContact N-O 3.04Å; L374-W391 PolarHBondContact O-N 2.86Å; V376-W391 HydrophobicContact CG2-CE3 4.32Å; F389-W391 HydrophobicContact CD2-CB 3.97Å; F389-W391 HydrophobicContact CE2-CB 3.88Å; F389-W391 HydrophobicContact CE2-CG 4.44Å; W391-L393 HydrophobicContact CD2-CD1 4.19Å; W391-L393 HydrophobicContact CD2-CG 4.1Å; W391-L393 HydrophobicContact CE3-CD1 4.2Å; W391-L393 HydrophobicContact CE3-CG 4.29Å; W391-L393 HydrophobicContact CH2-CD2 3.76Å; W391-L393 HydrophobicContact CH2-CG 4.06Å; W391-L393 HydrophobicContact CZ2-CD2 4.04Å; W391-L393 HydrophobicContact CZ2-CG 3.93Å; W391-L393 HydrophobicContact CZ3-CD1 4.49Å; W391-L393 HydrophobicContact CZ3-CD2 4.11Å; W391-L393 HydrophobicContact CZ3-CG 4.29Å; W391-P769 PolarHBondContact NE1-O 3.15Å; W391-P769 VanDerWaalsContact NE1-O 3.09Å; W391-I770 HydrophobicContact CD2-CD1 4.49Å; W391-I770 HydrophobicContact CD2-CG1 4.26Å; W391-I770 HydrophobicContact CZ2-CG1 4.06Å
392C83.8Confident83.8Confident26 Ų2627.7 Ų27.718%0.17615%0.148CC..EExtended strand (participates in β ladder)trans-93.2110.4173.2-177.60000109.7T372 A394 S395 C396 R397T372-C392 CarbonylContact O-C 3.52Å; T372-C392 WeakPolarHBondContact O-CA 3.41Å; C392-A394 VanDerWaalsContact C-N 3.27Å; C392-A394 PolarHBondContact O-N 3.29Å; C392-S395 WeakPolarHBondContact CB-OG 3.46Å; C392-S395 PolarHBondContact O-N 3.49Å; C392-S395 PolarHBondContact SG-OG 3.37Å; C392-S395 VanDerWaalsContact SG-OG 3.38Å; C392-C396 WeakPolarHBondContact O-CA 3.25Å; C392-C396 PolarHBondContact O-N 2.7Å; C392-R397 PolarHBondContact N-O 3.22Å; C392-R397 PolarHBondContact O-N 3.13Å
393L85.2Confident84.6Confident0 Ų028.8 Ų28.80%015%0.145CC..THydrogen-bonded Turntrans-77.1-10.4178.6-69.196.3000113.5L323 T372 L374 W391 V756 A758 N759 I763L323-L393 HydrophobicContact CD2-CD2 3.84Å; T372-L393 PolarHBondContact O-N 2.83Å; L374-L393 HydrophobicContact CB-CD1 4.3Å; W391-L393 HydrophobicContact CD2-CD1 4.19Å; W391-L393 HydrophobicContact CD2-CG 4.1Å; W391-L393 HydrophobicContact CE3-CD1 4.2Å; W391-L393 HydrophobicContact CE3-CG 4.29Å; W391-L393 HydrophobicContact CH2-CD2 3.76Å; W391-L393 HydrophobicContact CH2-CG 4.06Å; W391-L393 HydrophobicContact CZ2-CD2 4.04Å; W391-L393 HydrophobicContact CZ2-CG 3.93Å; W391-L393 HydrophobicContact CZ3-CD1 4.49Å; W391-L393 HydrophobicContact CZ3-CD2 4.11Å; W391-L393 HydrophobicContact CZ3-CG 4.29Å; L393-V756 HydrophobicContact CD1-CB 4.25Å; L393-V756 HydrophobicContact CD1-CG2 3.79Å; L393-V756 HydrophobicContact CD2-CG2 3.76Å; L393-V756 HydrophobicContact CG-CG2 4.32Å; L393-A758 HydrophobicContact CB-CB 3.76Å; L393-A758 HydrophobicContact CD2-CB 4.09Å; L393-N759 PolarHBondContact O-N 2.68Å; L393-I763 HydrophobicContact CB-CD1 4.26Å; L393-I763 HydrophobicContact CD2-CD1 4.03Å
394A78.2Confident85.4Confident9 Ų925.3 Ų25.37%0.07413%0.126CC..THydrogen-bonded Turntrans-74.4-45.8169.900000111.3A302 T372 C392 N759A302-A394 HydrophobicContact CB-CB 3.87Å; T372-A394 HydrophobicContact CG2-CB 3.79Å; C392-A394 VanDerWaalsContact C-N 3.27Å; C392-A394 PolarHBondContact O-N 3.29Å; A394-N759 WeakPolarHBondContact O-CB 3.26Å
395S73.2Confident85.8Confident17 Ų1729.9 Ų29.912%0.11915%0.148CC..THydrogen-bonded Turntrans-100.9-7.2-177.162.40000114.6I201 C392 R397I201-S395 WeakPolarHBondContact O-CB 3.41Å; C392-S395 WeakPolarHBondContact CB-OG 3.46Å; C392-S395 PolarHBondContact O-N 3.49Å; C392-S395 PolarHBondContact SG-OG 3.37Å; C392-S395 VanDerWaalsContact SG-OG 3.38Å; S395-R397 PolarHBondContact O-N 2.9Å
396C79.4Confident85.6Confident2 Ų230 Ų301%0.01415%0.149CC..THydrogen-bonded Turntrans57.824.5-171.5-68.10000113.8C392 P769 T771C392-C396 WeakPolarHBondContact O-CA 3.25Å; C392-C396 PolarHBondContact O-N 2.7Å; C396-P769 CarbonylContact C-O 3.48Å; C396-P769 WeakPolarHBondContact CA-O 3.45Å; C396-P769 WeakPolarHBondContact CB-O 3.38Å; C396-T771 PolarHBondContact O-N 3.31Å
397R78.7Confident84.4Confident87 Ų8732.7 Ų32.733%0.32817%0.168SC..EExtended strand (participates in β ladder)trans-97.2143.9177.1-74.5-172.6156.2-179.53.6111.9D203 C392 S395 T771D203-R397 IonicContact OD2-NH1 2.73Å; C392-R397 PolarHBondContact N-O 3.22Å; C392-R397 PolarHBondContact O-N 3.13Å; S395-R397 PolarHBondContact O-N 2.9Å; R397-T771 CarbonylContact C-O 3.59Å; R397-T771 WeakPolarHBondContact CA-O 3.08Å
398A85Confident82.5Confident1 Ų134.2 Ų34.21%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-120.1144.5172.200000112F389 A390 I770 T771 F772 L773F389-A398 HydrophobicContact CD2-CB 3.8Å; F389-A398 HydrophobicContact CE2-CB 4.37Å; F389-A398 HydrophobicContact CG-CB 4.4Å; A390-A398 CarbonylContact O-C 3.57Å; A390-A398 WeakPolarHBondContact O-CA 3.25Å; A398-I770 HydrophobicContact CB-CG2 3.65Å; A398-T771 PolarHBondContact N-O 3.15Å; A398-F772 HydrophobicContact CB-CD1 3.75Å; A398-F772 HydrophobicContact CB-CE1 3.83Å; A398-F772 HydrophobicContact CB-CG 4.29Å; A398-F772 HydrophobicContact CB-CZ 4.43Å; A398-F772 CarbonylContact O-C 3.45Å; A398-F772 WeakPolarHBondContact O-CA 3.3Å; A398-L773 PolarHBondContact O-N 3.06Å
399K84.1Confident80.3Confident85 Ų8540.2 Ų40.237%0.3721%0.214SC..EExtended strand (participates in β ladder)trans-125.1126.8172.7-174.5179.8175.8-168.10108.9F389 A390 W459 L773F389-K399 CarbonylContact C-O 3.55Å; F389-K399 VanDerWaalsContact CA-O 3.27Å; F389-K399 WeakPolarHBondContact CA-O 3.26Å; F389-K399 WeakPolarHBondContact CB-O 3.44Å; A390-K399 PolarHBondContact N-O 3.46Å; A390-K399 PolarHBondContact O-N 2.8Å; K399-W459 HydrophobicContact CB-CZ2 4.1Å; K399-W459 HydrophobicContact CD-CD2 4.36Å; K399-W459 HydrophobicContact CD-CH2 4.16Å; K399-W459 HydrophobicContact CD-CZ2 3.61Å; K399-W459 HydrophobicContact CG-CZ2 3.81Å; K399-L773 HydrophobicContact CB-CD1 4.33Å
400L86.9Confident77.9Confident74 Ų7446.6 Ų46.639%0.38725%0.248SC..EExtended strand (participates in β ladder)trans-61.3140.4177.4-65.1172.1000110.9E343 F389 W459 F772E343-L400 HydrophobicContact CB-CD2 3.76Å; E343-L400 HydrophobicContact CG-CD2 3.71Å; E343-L400 WeakPolarHBondContact OE2-CD2 3.45Å; F389-L400 HydrophobicContact CB-CD2 4.36Å; L400-W459 PolarHBondContact O-NE1 3.25Å; L400-F772 HydrophobicContact CD2-CD1 3.89Å; L400-F772 HydrophobicContact CD2-CE1 3.52Å; L400-F772 HydrophobicContact CD2-CZ 4.36Å; L400-F772 HydrophobicContact CG-CD1 4.07Å; L400-F772 HydrophobicContact CG-CE1 4.2Å
401I87.8Confident75.6Confident11 Ų1149 Ų496%0.05626%0.259CS..PPolyproline II helixtrans-93.1148.5164.758.1159.5000108.9F375 M377 G388 R403 F454 W459 W461F375-I401 HydrophobicContact CD1-CG2 3.88Å; F375-I401 HydrophobicContact CE1-CG2 3.68Å; M377-I401 HydrophobicContact CG-CD1 3.83Å; M377-I401 HydrophobicContact SD-CD1 4.1Å; G388-I401 WeakPolarHBondContact O-CG1 2.99Å; G388-I401 PolarHBondContact O-N 3.26Å; G388-I401 VanDerWaalsContact O-N 3.11Å; I401-R403 PolarHBondContact O-N 3.47Å; I401-F454 HydrophobicContact CB-CE2 4.3Å; I401-F454 HydrophobicContact CB-CZ 4.32Å; I401-F454 HydrophobicContact CG2-CE1 4.33Å; I401-F454 HydrophobicContact CG2-CE2 4.3Å; I401-F454 HydrophobicContact CG2-CZ 3.85Å; I401-W459 HydrophobicContact CG2-CZ2 3.88Å; I401-W461 HydrophobicContact CD1-CZ2 4.02Å
402P89.8Confident73.2Confident41 Ų4160.8 Ų60.827%0.26630%0.304SS..PPolyproline II helixtrans-56.3135.4173.5-2333.9000111.3L404 W459 W461P402-L404 PolarHBondContact O-N 2.99Å; P402-W459 WeakPolarHBondContact CD-O 3.44Å; P402-W459 WeakPolarHBondContact CG-O 3.41Å; P402-W461 VanDerWaalsContact O-CD1 3.32Å; P402-W461 PolarHBondContact O-NE1 3.46Å
403R90.3Very high71Confident124 Ų12466.6 Ų66.647%0.46833%0.333SS..PPolyproline II helixtrans-59.7131.2172.1174.7167.7-159.416813.9109.7D345 T385 N387 I401D345-R403 IonicContact OD2-CZ 2.64Å; D345-R403 IonicContact OD2-NH2 3.65Å; D345-R403 PolarHBondContact OD2-NH2 3.5Å; D345-R403 VanDerWaalsContact OD2-NH2 3.08Å; T385-R403 HydrophobicContact CG2-CG 4.34Å; T385-R403 PolarHBondContact OG1-NH2 3.23Å; N387-R403 WeakPolarHBondContact OD1-CD 3.31Å; N387-R403 WeakPolarHBondContact OD1-CG 3.07Å; N387-R403 PolarHBondContact OD1-NE 2.65Å; I401-R403 PolarHBondContact O-N 3.47Å
404L90.3Very high68.8Low15 Ų1567.9 Ų67.98%0.07935%0.347CS..EExtended strand (participates in β ladder)trans-106.8122.8175.7178.861.4000110.3T385 L386 P402 L406 M437 F452 W461T385-L404 CarbonylContact C-O 3.58Å; T385-L404 VanDerWaalsContact CA-O 3.27Å; T385-L404 WeakPolarHBondContact CA-O 3.49Å; L386-L404 HydrophobicContact CB-CB 4.23Å; L386-L404 PolarHBondContact N-O 3.04Å; L386-L404 PolarHBondContact O-N 3.46Å; P402-L404 PolarHBondContact O-N 2.99Å; L404-L406 HydrophobicContact CD2-CD2 3.98Å; L404-L406 HydrophobicContact CG-CD2 3.83Å; L404-M437 HydrophobicContact CD2-CE 3.26Å; L404-M437 HydrophobicContact CG-CE 4.33Å; L404-F452 HydrophobicContact CD1-CD1 3.66Å; L404-F452 HydrophobicContact CD1-CE1 3.78Å; L404-F452 HydrophobicContact CD1-CG 4.32Å; L404-F452 HydrophobicContact CD2-CB 3.89Å; L404-F452 HydrophobicContact CD2-CD1 3.95Å; L404-F452 HydrophobicContact CD2-CD2 4.24Å; L404-F452 HydrophobicContact CD2-CG 3.74Å; L404-F452 HydrophobicContact CG-CD1 4.4Å; L404-W461 HydrophobicContact CB-CD2 4.37Å; L404-W461 HydrophobicContact CB-CG 4.13Å; L404-W461 HydrophobicContact CD1-CB 3.94Å; L404-W461 HydrophobicContact CD1-CG 4.12Å; L404-W461 HydrophobicContact CD2-CB 4.44Å; L404-W461 HydrophobicContact CD2-CD2 3.71Å; L404-W461 HydrophobicContact CD2-CE3 3.85Å; L404-W461 HydrophobicContact CD2-CG 3.99Å; L404-W461 HydrophobicContact CD2-CZ3 4.34Å; L404-W461 HydrophobicContact CG-CD2 4.49Å; L404-W461 HydrophobicContact CG-CG 4.31Å
405L86.3Confident67Low108 Ų10872 Ų7257%0.56537%0.371SS*.EExtended strand (participates in β ladder)trans-92126175.3-69.6158.4000109.4T385T385-L405 HydrophobicContact CG2-CD2 3.36Å; T385-L405 HydrophobicContact CG2-CG 4.21Å
406L81Confident65.6Low2 Ų272.6 Ų72.61%0.0137%0.372CS..  trans-98.5-8.9-178-50.5-171.6000113.4F379 A384 L404 I416 I426 M437 Y439F379-L406 HydrophobicContact CD2-CD1 4.08Å; F379-L406 HydrophobicContact CE2-CD1 3.53Å; F379-L406 HydrophobicContact CZ-CD1 4.41Å; A384-L406 HydrophobicContact CB-CB 4.37Å; A384-L406 VanDerWaalsContact O-CB 3.26Å; A384-L406 WeakPolarHBondContact O-CB 3.47Å; A384-L406 WeakPolarHBondContact O-CG 3.13Å; A384-L406 PolarHBondContact O-N 3.28Å; L404-L406 HydrophobicContact CD2-CD2 3.98Å; L404-L406 HydrophobicContact CG-CD2 3.83Å; L406-I416 HydrophobicContact CB-CD1 4.08Å; L406-I416 HydrophobicContact CD1-CD1 4.46Å; L406-I426 HydrophobicContact CD1-CG2 3.92Å; L406-M437 HydrophobicContact CD1-CE 4.4Å; L406-M437 HydrophobicContact CD1-SD 4.39Å; L406-M437 HydrophobicContact CD2-CE 3.26Å; L406-M437 HydrophobicContact CD2-SD 4.24Å; L406-M437 HydrophobicContact CG-CE 4.47Å; L406-Y439 HydrophobicContact CB-CE1 4.03Å; L406-Y439 HydrophobicContact CB-CE2 4.41Å; L406-Y439 HydrophobicContact CD1-CD1 4.15Å; L406-Y439 HydrophobicContact CD1-CE1 4.28Å; L406-Y439 HydrophobicContact CD1-CG 4.46Å; L406-Y439 HydrophobicContact CD2-CD1 4.35Å; L406-Y439 HydrophobicContact CD2-CE1 3.94Å; L406-Y439 HydrophobicContact CG-CE1 4.32Å; L406-Y439 PolarHBondContact O-OH 3.5Å
407S65.4Low63.8Low57 Ų5776.8 Ų76.840%0.39940%0.395SS..SBendtrans-70129.9177.154.80000110.8T409S407-T409 PolarHBondContact O-N 3.34Å
408P50.4Low62.2Low43 Ų4373 Ų7328%0.27938%0.381SS..  trans-61.1127.8166.5-13.726.1000109.1N410 N411P408-N410 PolarHBondContact O-N 3.19Å; P408-N411 HydrophobicContact CB-CB 4.35Å; P408-N411 HydrophobicContact CG-CB 4.47Å; P408-N411 PolarHBondContact O-N 3.49Å
409T45.2Very low60.3Low130 Ų13078.5 Ų78.580%0.79841%0.405SS*.THydrogen-bonded Turntrans-52.2-25.9178.342.80000113.6S407S407-T409 PolarHBondContact O-N 3.34Å
410N39.7Very low58.5Low133 Ų13375.9 Ų75.971%0.71140%0.397SS*.THydrogen-bonded Turntrans-987.5-177.4-73.9-11.7000115.5P408P408-N410 PolarHBondContact O-N 3.19Å
411N40.3Very low56.4Low63 Ų6376.5 Ų76.534%0.33740%0.397SS..  trans-126.178.7180-146.82.5000112.1P408 N413 G414P408-N411 HydrophobicContact CB-CB 4.35Å; P408-N411 HydrophobicContact CG-CB 4.47Å; P408-N411 PolarHBondContact O-N 3.49Å; N411-N413 PolarHBondContact O-N 3.29Å; N411-N413 VanDerWaalsContact O-N 3.08Å; N411-G414 PolarHBondContact O-N 3.09Å
412R37.3Very low54.6Low249 Ų24982.1 Ų82.194%0.9442%0.417SS*.THydrogen-bonded Turntrans-57.2-21.5176.5-76.2-175.4177.6-177.7-0.8114
413N37.3Very low53Low148 Ų14881.6 Ų81.679%0.79142%0.415SS*.THydrogen-bonded Turntrans-109.85.3177.6-69.6-6.4000113.2N411 T415N411-N413 PolarHBondContact O-N 3.29Å; N411-N413 VanDerWaalsContact O-N 3.08Å; N413-T415 VanDerWaalsContact C-N 3.25Å; N413-T415 PolarHBondContact O-N 3.14Å
414G37.7Very low52.2Low27 Ų2776.8 Ų76.828%0.27840%0.397SS..  trans-75.275.8178.900000110.9N411 I416N411-G414 PolarHBondContact O-N 3.09Å; G414-I416 PolarHBondContact O-N 3.01Å
415T40.6Very low51.5Low94 Ų9479.9 Ų79.958%0.57741%0.407SS*.  trans-51.8133.7159.329.80000107.8N413 N417N413-T415 VanDerWaalsContact C-N 3.25Å; N413-T415 PolarHBondContact O-N 3.14Å; T415-N417 VanDerWaalsContact CB-OD1 3.26Å; T415-N417 WeakPolarHBondContact CB-OD1 3.19Å; T415-N417 PolarHBondContact O-N 2.84Å; T415-N417 VanDerWaalsContact OG1-CG 3.23Å; T415-N417 PolarHBondContact OG1-ND2 2.87Å; T415-N417 PolarHBondContact OG1-OD1 2.77Å
416I44.9Very low51.6Low31 Ų3174.9 Ų74.916%0.15938%0.381CS..  trans-64.284.5162.6-60.6179.6000105.6F379 A384 L406 G414 S418F379-I416 HydrophobicContact CZ-CD1 4.33Å; A384-I416 HydrophobicContact CB-CD1 3.41Å; A384-I416 VanDerWaalsContact CB-CD1 3.41Å; A384-I416 HydrophobicContact CB-CG1 4.05Å; L406-I416 HydrophobicContact CB-CD1 4.08Å; L406-I416 HydrophobicContact CD1-CD1 4.46Å; G414-I416 PolarHBondContact O-N 3.01Å; I416-S418 WeakPolarHBondContact CG2-OG 3.24Å; I416-S418 PolarHBondContact O-N 3.38Å
417N41Very low52Low90 Ų9075 Ų7548%0.48138%0.382SS..  trans-79.632.9177.4-77.3-25.1000110.9T415 F419T415-N417 VanDerWaalsContact CB-OD1 3.26Å; T415-N417 WeakPolarHBondContact CB-OD1 3.19Å; T415-N417 PolarHBondContact O-N 2.84Å; T415-N417 VanDerWaalsContact OG1-CG 3.23Å; T415-N417 PolarHBondContact OG1-ND2 2.87Å; T415-N417 PolarHBondContact OG1-OD1 2.77Å; N417-F419 HydrophobicContact CB-CE2 4.48Å; N417-F419 PolarHBondContact O-N 2.68Å
418S44.7Very low53.1Low7 Ų773.2 Ų73.25%0.04937%0.369CS..  trans-76.188.1160.671.80000106.6I416 C420I416-S418 WeakPolarHBondContact CG2-OG 3.24Å; I416-S418 PolarHBondContact O-N 3.38Å; S418-C420 PolarHBondContact O-N 3.24Å
419F44.8Very low54.9Low117 Ų11771.9 Ų71.951%0.51336%0.361SS..BIsolated β-bridgetrans-59.7131.2159.3-69.6-94.6000106.2N417 M476 L478N417-F419 HydrophobicContact CB-CE2 4.48Å; N417-F419 PolarHBondContact O-N 2.68Å; F419-M476 HydrophobicContact CB-CE 4.17Å; F419-M476 HydrophobicContact CB-CG 4.43Å; F419-M476 HydrophobicContact CB-SD 3.73Å; F419-M476 HydrophobicContact CD1-SD 4.18Å; F419-M476 HydrophobicContact CD2-CG 3.71Å; F419-M476 HydrophobicContact CD2-SD 3.14Å; F419-M476 WeakPolarHBondContact CD2-SD 3.45Å; F419-M476 HydrophobicContact CE2-CG 4.37Å; F419-M476 HydrophobicContact CE2-SD 3.69Å; F419-M476 HydrophobicContact CG-CE 4.39Å; F419-M476 HydrophobicContact CG-CG 4.36Å; F419-M476 HydrophobicContact CG-SD 3.41Å; F419-M476 WeakPolarHBondContact CG-SD 3.24Å; F419-M476 HydrophobicContact CZ-SD 4.41Å; F419-L478 VanDerWaalsContact C-CD2 3.49Å; F419-L478 HydrophobicContact CB-CD2 3.49Å; F419-L478 VanDerWaalsContact CB-CD2 3.49Å; F419-L478 WeakPolarHBondContact O-CA 3.19Å; F419-L478 WeakPolarHBondContact O-CD2 3.42Å
420C46.2Very low56.7Low30 Ų3066 Ų6620%0.20332%0.324CS..  trans-120.7138.2173-170.60000108.1S418 R422 R424 R425 F479S418-C420 PolarHBondContact O-N 3.24Å; C420-R422 PolarHBondContact O-N 2.78Å; C420-R422 PolarHBondContact SG-O 2.78Å; C420-R424 PolarHBondContact SG-O 2.94Å; C420-R424 VanDerWaalsContact SG-O 3.33Å; C420-R425 HydrophobicContact CB-CG 4.49Å; C420-F479 PolarHBondContact SG-O 2.83Å; C420-F479 VanDerWaalsContact SG-O 3.35Å
421F44.5Very low58.7Low86 Ų8659.7 Ų59.738%0.37729%0.291SS..SBendtrans-68.7-21.1-179.2-164.2-93000112.1L513 R548F421-L513 HydrophobicContact CE2-CB 4.04Å; F421-L513 HydrophobicContact CZ-CB 4.11Å; F421-R548 VanDerWaalsContact CG-CZ 3.47Å
422R49.2Very low60.3Low129 Ų12958.7 Ų58.749%0.48729%0.288SS..SBendtrans-143.4107.9166.6-73.5-170.8171.9177.7-3.3109C420 R424 Y550C420-R422 PolarHBondContact O-N 2.78Å; C420-R422 PolarHBondContact SG-O 2.78Å; R422-R424 VanDerWaalsContact C-N 3.29Å; R422-R424 PolarHBondContact O-N 3.48Å; R422-Y550 HydrophobicContact CB-CE1 4.35Å
423S56.8Low62Low30 Ų3049.9 Ų49.921%0.2127%0.265CS..SBendtrans48.2-56.6147.269.90000121.9D353 H356 R425D353-S423 WeakPolarHBondContact OD2-CB 3.42Å; H356-S423 WeakPolarHBondContact CB-OG 3.49Å; H356-S423 WeakPolarHBondContact CD2-CB 3.2Å; H356-S423 PolarHBondContact CD2-OG 2.83Å; S423-R425 PolarHBondContact O-N 3.26Å
424R73.6Confident63.9Low23 Ų2343 Ų439%0.08723%0.229CC..  trans-77.1109.5-178.8-62.5-162.6175.2-126-16.2110.3D355 H356 I358 C420 R422 P481 E483D355-R424 PolarHBondContact O-NH2 3.43Å; H356-R424 HydrophobicContact CB-CG 4.28Å; H356-R424 WeakPolarHBondContact O-CG 3.33Å; I358-R424 PolarHBondContact O-NH1 3.33Å; I358-R424 PolarHBondContact O-NH2 3.38Å; C420-R424 PolarHBondContact SG-O 2.94Å; C420-R424 VanDerWaalsContact SG-O 3.33Å; R422-R424 VanDerWaalsContact C-N 3.29Å; R422-R424 PolarHBondContact O-N 3.48Å; R424-P481 HydrophobicContact CB-CG 4.19Å; R424-P481 WeakPolarHBondContact O-CD 3.37Å; R424-E483 WeakPolarHBondContact CD-OE1 3.42Å; R424-E483 IonicContact CZ-OE1 2.71Å; R424-E483 IonicContact NE-OE1 3.18Å; R424-E483 PolarHBondContact NE-OE1 3.31Å; R424-E483 VanDerWaalsContact NE-OE1 3.08Å; R424-E483 IonicContact NH1-OE1 2.83Å; R424-E483 PolarHBondContact NH1-OE1 3.28Å
425R75.4Confident66.3Low81 Ų8141.8 Ų41.831%0.30622%0.216SC..  trans-93.9-18.7178.2-56.8-169.1-170.8-178.81.4113.5F379 C420 S423F379-R425 HydrophobicContact CD1-CB 4.49Å; F379-R425 HydrophobicContact CE1-CB 3.83Å; F379-R425 HydrophobicContact CE1-CG 4.29Å; C420-R425 HydrophobicContact CB-CG 4.49Å; S423-R425 PolarHBondContact O-N 3.26Å
426I86.9Confident68.6Low2 Ų237.9 Ų37.91%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-124.5151.7178.270.4166.8000108.2Y359 F379 L386 L406 V428 M437 Y438 P481Y359-I426 HydrophobicContact CE1-CG1 4.47Å; Y359-I426 HydrophobicContact CE2-CD1 4.22Å; Y359-I426 HydrophobicContact CE2-CG1 4.07Å; Y359-I426 WeakPolarHBondContact OH-CG1 3.4Å; Y359-I426 PolarHBondContact OH-O 3.23Å; Y359-I426 VanDerWaalsContact OH-O 3.05Å; F379-I426 HydrophobicContact CB-CD1 3.62Å; F379-I426 HydrophobicContact CB-CG1 4.07Å; F379-I426 HydrophobicContact CD1-CG1 4.37Å; F379-I426 HydrophobicContact CD1-CG2 4.26Å; F379-I426 HydrophobicContact CD2-CD1 3.82Å; F379-I426 HydrophobicContact CD2-CG1 4.36Å; F379-I426 HydrophobicContact CD2-CG2 3.98Å; F379-I426 HydrophobicContact CE1-CG2 4.16Å; F379-I426 HydrophobicContact CE2-CG2 3.91Å; F379-I426 HydrophobicContact CG-CD1 3.74Å; F379-I426 HydrophobicContact CG-CG1 3.99Å; F379-I426 HydrophobicContact CG-CG2 4.16Å; F379-I426 HydrophobicContact CZ-CG2 3.98Å; L386-I426 HydrophobicContact CD1-CD1 3.69Å; L406-I426 HydrophobicContact CD1-CG2 3.92Å; I426-V428 HydrophobicContact CD1-CG2 3.83Å; I426-V428 HydrophobicContact CG1-CG2 4.2Å; I426-M437 HydrophobicContact CB-CG 4.49Å; I426-M437 HydrophobicContact CB-SD 4.29Å; I426-M437 HydrophobicContact CD1-CG 3.88Å; I426-M437 HydrophobicContact CD1-SD 4.4Å; I426-Y438 CarbonylContact C-O 3.35Å; I426-Y438 WeakPolarHBondContact CA-O 3.48Å; I426-P481 WeakPolarHBondContact O-CG 3.23Å
427G89.7Confident70.9Confident4 Ų436.4 Ų36.44%0.04118%0.183CC..EExtended strand (participates in β ladder)trans-103142.3166.500000110.2M437 Y438G427-M437 CarbonylContact O-C 3.57Å; G427-M437 VanDerWaalsContact O-CA 3.31Å; G427-M437 WeakPolarHBondContact O-CA 3.38Å; G427-Y438 VanDerWaalsContact C-CE1 3.45Å; G427-Y438 VanDerWaalsContact CA-CE1 3.47Å; G427-Y438 VanDerWaalsContact CA-CZ 3.48Å; G427-Y438 PolarHBondContact N-O 3.21Å; G427-Y438 VanDerWaalsContact O-CD1 3.27Å; G427-Y438 WeakPolarHBondContact O-CD1 3.41Å; G427-Y438 PolarHBondContact O-N 3.13Å
428V89.9Confident73.4Confident20 Ų2032.3 Ų32.312%0.12116%0.161CC..EExtended strand (participates in β ladder)trans-132.4127.4174.5-164.10000108Y359 M377 I426 L435 Y436 M437Y359-V428 HydrophobicContact CD1-CB 3.77Å; Y359-V428 HydrophobicContact CD1-CG2 3.62Å; Y359-V428 HydrophobicContact CD2-CG2 4.12Å; Y359-V428 HydrophobicContact CE1-CB 4.4Å; Y359-V428 HydrophobicContact CE1-CG2 3.93Å; Y359-V428 HydrophobicContact CE2-CG2 4.4Å; Y359-V428 HydrophobicContact CG-CB 4.08Å; Y359-V428 HydrophobicContact CG-CG2 3.76Å; M377-V428 HydrophobicContact CE-CB 4.4Å; M377-V428 HydrophobicContact CE-CG1 3.35Å; M377-V428 HydrophobicContact SD-CG1 3.95Å; I426-V428 HydrophobicContact CD1-CG2 3.83Å; I426-V428 HydrophobicContact CG1-CG2 4.2Å; V428-L435 HydrophobicContact CG1-CD1 3.93Å; V428-Y436 WeakPolarHBondContact CA-O 3.43Å; V428-M437 HydrophobicContact CG1-CB 4.48Å; V428-M437 HydrophobicContact CG2-CB 4.38Å; V428-M437 HydrophobicContact CG2-CG 4.04Å
429T87.9Confident75.5Confident16 Ų1632.5 Ų32.510%0.09816%0.161CC..EExtended strand (participates in β ladder)trans-151.4147.7-170.9-170.10000111.4L431 Y436 Y438 V494T429-L431 HydrophobicContact CG2-CD2 4.46Å; T429-L431 HydrophobicContact CG2-CG 4.47Å; T429-Y436 PolarHBondContact N-O 2.91Å; T429-Y436 PolarHBondContact O-N 2.96Å; T429-Y438 HydrophobicContact CG2-CD1 4.49Å; T429-Y438 HydrophobicContact CG2-CE1 4.06Å; T429-V494 HydrophobicContact CG2-CG1 4.22Å; T429-V494 HydrophobicContact CG2-CG2 3.76Å
430T83.2Confident77.4Confident6 Ų627.2 Ų27.24%0.03714%0.138CC..EExtended strand (participates in β ladder)trans-100.7118.7173.6-49.10000108.9P362 T364 P489P362-T430 PolarHBondContact O-OG1 3.11Å; P362-T430 VanDerWaalsContact O-OG1 3.11Å; T364-T430 WeakPolarHBondContact OG1-CG2 3.22Å; T430-P489 VanDerWaalsContact O-CD 3.28Å; T430-P489 WeakPolarHBondContact O-CD 3.27Å
431L81.1Confident79.2Confident1 Ų126.5 Ų26.51%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-97.5172172.8-63.9-174.5000110.2T429 S433 G434 Y436 P489 D492 V494 P528T429-L431 HydrophobicContact CG2-CD2 4.46Å; T429-L431 HydrophobicContact CG2-CG 4.47Å; L431-S433 PolarHBondContact O-N 3.14Å; L431-S433 VanDerWaalsContact O-N 3.14Å; L431-G434 PolarHBondContact N-O 3.02Å; L431-G434 PolarHBondContact O-N 2.66Å; L431-Y436 HydrophobicContact CB-CD2 3.88Å; L431-Y436 HydrophobicContact CB-CE2 3.86Å; L431-Y436 HydrophobicContact CD1-CD2 3.7Å; L431-Y436 HydrophobicContact CD1-CE2 3.85Å; L431-Y436 HydrophobicContact CD1-CG 4.19Å; L431-Y436 HydrophobicContact CG-CD2 3.77Å; L431-Y436 HydrophobicContact CG-CE2 4.13Å; L431-P489 HydrophobicContact CD2-CG 3.74Å; L431-D492 WeakPolarHBondContact CB-OD1 3.3Å; L431-V494 HydrophobicContact CD1-CG2 4Å; L431-V494 HydrophobicContact CD2-CG2 3.87Å; L431-V494 HydrophobicContact CG-CG2 4.3Å; L431-P528 HydrophobicContact CD1-CG 4.03Å
432S73.8Confident80.6Confident41 Ų4125.3 Ų25.329%0.28714%0.135SC..THydrogen-bonded Turntrans-57.2-29.5176.475.80000112.9D492S432-D492 WeakPolarHBondContact CB-OD1 3.47Å; S432-D492 PolarHBondContact N-OD1 2.81Å; S432-D492 VanDerWaalsContact OG-CG 3.29Å; S432-D492 PolarHBondContact OG-OD1 3.36Å; S432-D492 PolarHBondContact OG-OD2 2.91Å
433S72.9Confident81.5Confident64 Ų6422 Ų2245%0.44813%0.127SC..THydrogen-bonded Turntrans-89.1-4.9179.456.40000115L431 Y436L431-S433 PolarHBondContact O-N 3.14Å; L431-S433 VanDerWaalsContact O-N 3.14Å; S433-Y436 VanDerWaalsContact OG-CE2 3.24Å; S433-Y436 WeakPolarHBondContact OG-CE2 3.4Å; S433-Y436 PolarHBondContact OG-OH 3.03Å
434G77.5Confident82.1Confident3 Ų329 Ų293%0.03116%0.156CC..EExtended strand (participates in β ladder)trans133.8-164.8177.500000114.1L431 Y436L431-G434 PolarHBondContact N-O 3.02Å; L431-G434 PolarHBondContact O-N 2.66Å; G434-Y436 VanDerWaalsContact O-CD2 3.23Å; G434-Y436 WeakPolarHBondContact O-CD2 3.49Å; G434-Y436 WeakPolarHBondContact O-CE2 3.24Å
435L87.1Confident81.9Confident3 Ų333.4 Ų33.42%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-88133.2-177.2174.468.4000110.9C361 F375 M377 V428 F454 W461C361-L435 HydrophobicContact CB-CD1 3.74Å; F375-L435 HydrophobicContact CB-CD2 4.44Å; F375-L435 HydrophobicContact CD1-CD2 4.3Å; F375-L435 HydrophobicContact CD2-CD2 3.65Å; F375-L435 HydrophobicContact CE1-CD2 4.49Å; F375-L435 HydrophobicContact CE2-CB 4.46Å; F375-L435 HydrophobicContact CE2-CD2 3.87Å; F375-L435 HydrophobicContact CG-CD2 3.89Å; F375-L435 HydrophobicContact CZ-CD2 4.29Å; M377-L435 HydrophobicContact CE-CD1 4.16Å; M377-L435 HydrophobicContact CE-CD2 4.02Å; M377-L435 HydrophobicContact SD-CD2 4Å; V428-L435 HydrophobicContact CG1-CD1 3.93Å; L435-F454 HydrophobicContact CB-CB 4.05Å; L435-F454 HydrophobicContact CD2-CB 4.05Å; L435-F454 HydrophobicContact CD2-CD1 4.34Å; L435-F454 HydrophobicContact CD2-CG 4.39Å; L435-F454 HydrophobicContact CG-CB 4.24Å; L435-F454 PolarHBondContact O-N 3.42Å; L435-W461 HydrophobicContact CD2-CH2 4.17Å; L435-W461 HydrophobicContact CG-CH2 4.45Å
436Y90.5Very high81.9Confident11 Ų1130.6 Ų30.64%0.04317%0.17CC..EExtended strand (participates in β ladder)trans-125.4142.5179.5-69.1-97.3000111.3V428 T429 L431 S433 G434 F452 R453 M464 P528V428-Y436 WeakPolarHBondContact CA-O 3.43Å; T429-Y436 PolarHBondContact N-O 2.91Å; T429-Y436 PolarHBondContact O-N 2.96Å; L431-Y436 HydrophobicContact CB-CD2 3.88Å; L431-Y436 HydrophobicContact CB-CE2 3.86Å; L431-Y436 HydrophobicContact CD1-CD2 3.7Å; L431-Y436 HydrophobicContact CD1-CE2 3.85Å; L431-Y436 HydrophobicContact CD1-CG 4.19Å; L431-Y436 HydrophobicContact CG-CD2 3.77Å; L431-Y436 HydrophobicContact CG-CE2 4.13Å; S433-Y436 VanDerWaalsContact OG-CE2 3.24Å; S433-Y436 WeakPolarHBondContact OG-CE2 3.4Å; S433-Y436 PolarHBondContact OG-OH 3.03Å; G434-Y436 VanDerWaalsContact O-CD2 3.23Å; G434-Y436 WeakPolarHBondContact O-CD2 3.49Å; G434-Y436 WeakPolarHBondContact O-CE2 3.24Å; Y436-F452 CarbonylContact C-O 3.57Å; Y436-F452 VanDerWaalsContact CA-O 3.28Å; Y436-F452 WeakPolarHBondContact CA-O 3.45Å; Y436-R453 HydrophobicContact CD1-CB 4.02Å; Y436-R453 HydrophobicContact CD1-CG 4.29Å; Y436-R453 HydrophobicContact CE1-CB 3.61Å; Y436-R453 HydrophobicContact CE1-CG 3.68Å; Y436-R453 HydrophobicContact CE2-CG 4.14Å; Y436-R453 VanDerWaalsContact OH-CD 3.24Å; Y436-R453 WeakPolarHBondContact OH-CD 3.2Å; Y436-M464 HydrophobicContact CD1-SD 4.16Å; Y436-M464 HydrophobicContact CE1-SD 3.87Å; Y436-P528 HydrophobicContact CD1-CG 4.07Å; Y436-P528 HydrophobicContact CE1-CB 4.22Å; Y436-P528 HydrophobicContact CE1-CG 3.29Å; Y436-P528 HydrophobicContact CE2-CG 4.25Å; Y436-P528 WeakPolarHBondContact OH-CG 3.46Å
437M92.6Very high81.7Confident0 Ų030.6 Ų30.60%017%0.17CC..EExtended strand (participates in β ladder)trans-121.6141.3164.7178.1-77.8-55.800109.1L386 L404 L406 I426 G427 V428 Y439 A451 F452 W461L386-M437 HydrophobicContact CD2-CB 4.16Å; L386-M437 HydrophobicContact CD2-CG 4.01Å; L404-M437 HydrophobicContact CD2-CE 3.26Å; L404-M437 HydrophobicContact CG-CE 4.33Å; L406-M437 HydrophobicContact CD1-CE 4.4Å; L406-M437 HydrophobicContact CD1-SD 4.39Å; L406-M437 HydrophobicContact CD2-CE 3.26Å; L406-M437 HydrophobicContact CD2-SD 4.24Å; L406-M437 HydrophobicContact CG-CE 4.47Å; I426-M437 HydrophobicContact CB-CG 4.49Å; I426-M437 HydrophobicContact CB-SD 4.29Å; I426-M437 HydrophobicContact CD1-CG 3.88Å; I426-M437 HydrophobicContact CD1-SD 4.4Å; G427-M437 CarbonylContact O-C 3.57Å; G427-M437 VanDerWaalsContact O-CA 3.31Å; G427-M437 WeakPolarHBondContact O-CA 3.38Å; V428-M437 HydrophobicContact CG1-CB 4.48Å; V428-M437 HydrophobicContact CG2-CB 4.38Å; V428-M437 HydrophobicContact CG2-CG 4.04Å; M437-Y439 HydrophobicContact CE-CD1 4.28Å; M437-Y439 HydrophobicContact SD-CD1 3.85Å; M437-A451 CarbonylContact O-C 3.45Å; M437-A451 VanDerWaalsContact O-CA 3.31Å; M437-A451 WeakPolarHBondContact O-CA 3.34Å; M437-F452 HydrophobicContact CE-CB 4.06Å; M437-F452 HydrophobicContact CE-CD2 3.37Å; M437-F452 HydrophobicContact CE-CE2 4.11Å; M437-F452 HydrophobicContact CE-CG 3.89Å; M437-F452 PolarHBondContact N-O 3.26Å; M437-F452 PolarHBondContact O-N 2.82Å; M437-W461 HydrophobicContact CB-CH2 4.11Å; M437-W461 HydrophobicContact CB-CZ3 3.99Å
438Y92.3Very high81.5Confident5 Ų534.4 Ų34.42%0.0218%0.183CC..EExtended strand (participates in β ladder)trans-143150.3-179.762.6-85.7000112.1I426 G427 T429 C450 F479 P481 V494 Y495 A496 F526I426-Y438 CarbonylContact C-O 3.35Å; I426-Y438 WeakPolarHBondContact CA-O 3.48Å; G427-Y438 VanDerWaalsContact C-CE1 3.45Å; G427-Y438 VanDerWaalsContact CA-CE1 3.47Å; G427-Y438 VanDerWaalsContact CA-CZ 3.48Å; G427-Y438 PolarHBondContact N-O 3.21Å; G427-Y438 VanDerWaalsContact O-CD1 3.27Å; G427-Y438 WeakPolarHBondContact O-CD1 3.41Å; G427-Y438 PolarHBondContact O-N 3.13Å; T429-Y438 HydrophobicContact CG2-CD1 4.49Å; T429-Y438 HydrophobicContact CG2-CE1 4.06Å; Y438-C450 CarbonylContact C-O 3.45Å; Y438-C450 WeakPolarHBondContact CA-O 3.32Å; Y438-F479 HydrophobicContact CD2-CE1 4.2Å; Y438-F479 AromaticContact CD2-CZ 3.66Å; Y438-F479 HydrophobicContact CD2-CZ 3.66Å; Y438-F479 HydrophobicContact CE2-CE1 4.25Å; Y438-F479 AromaticContact CE2-CZ 3.68Å; Y438-F479 HydrophobicContact CE2-CZ 3.68Å; Y438-P481 HydrophobicContact CE2-CB 3.75Å; Y438-P481 WeakPolarHBondContact OH-CB 3.39Å; Y438-V494 HydrophobicContact CD1-CG1 3.98Å; Y438-V494 HydrophobicContact CE1-CG1 3.3Å; Y438-V494 HydrophobicContact CE2-CG1 4.04Å; Y438-V494 WeakPolarHBondContact OH-CG1 3.35Å; Y438-Y495 PolarHBondContact OH-O 2.96Å; Y438-A496 HydrophobicContact CE2-CB 4.4Å; Y438-F526 AromaticContact CD1-CZ 3.84Å; Y438-F526 HydrophobicContact CD1-CZ 3.84Å; Y438-F526 AromaticContact CD2-CE1 3.89Å; Y438-F526 HydrophobicContact CD2-CE1 3.89Å; Y438-F526 AromaticContact CD2-CZ 3.45Å; Y438-F526 HydrophobicContact CD2-CZ 3.45Å; Y438-F526 VanDerWaalsContact CD2-CZ 3.45Å; Y438-F526 HydrophobicContact CE1-CZ 4.22Å; Y438-F526 AromaticContact CE2-CE1 4Å; Y438-F526 HydrophobicContact CE2-CE1 4Å; Y438-F526 AromaticContact CE2-CZ 3.85Å; Y438-F526 HydrophobicContact CE2-CZ 3.85Å; Y438-F526 HydrophobicContact CG-CE1 4.33Å; Y438-F526 HydrophobicContact CG-CE2 4.23Å; Y438-F526 AromaticContact CG-CZ 3.43Å; Y438-F526 HydrophobicContact CG-CZ 3.43Å; Y438-F526 VanDerWaalsContact CG-CZ 3.43Å
439Y89.2Confident81.5Confident11 Ų1133.5 Ų33.54%0.04318%0.177CC..EExtended strand (participates in β ladder)trans-155.5168.817773.2-79.3000111.2L406 M437 C450 F452L406-Y439 HydrophobicContact CB-CE1 4.03Å; L406-Y439 HydrophobicContact CB-CE2 4.41Å; L406-Y439 HydrophobicContact CD1-CD1 4.15Å; L406-Y439 HydrophobicContact CD1-CE1 4.28Å; L406-Y439 HydrophobicContact CD1-CG 4.46Å; L406-Y439 HydrophobicContact CD2-CD1 4.35Å; L406-Y439 HydrophobicContact CD2-CE1 3.94Å; L406-Y439 HydrophobicContact CG-CE1 4.32Å; L406-Y439 PolarHBondContact O-OH 3.5Å; M437-Y439 HydrophobicContact CE-CD1 4.28Å; M437-Y439 HydrophobicContact SD-CD1 3.85Å; Y439-C450 HydrophobicContact CD1-CB 3.91Å; Y439-C450 HydrophobicContact CE1-CB 3.47Å; Y439-C450 VanDerWaalsContact CE1-CB 3.47Å; Y439-C450 HydrophobicContact CE2-CB 4.32Å; Y439-C450 HydrophobicContact CG-CB 4.49Å; Y439-C450 PolarHBondContact N-O 3.19Å; Y439-C450 PolarHBondContact O-N 3.05Å; Y439-F452 HydrophobicContact CE1-CD2 4.43Å; Y439-F452 AromaticContact CE1-CE2 3.77Å; Y439-F452 HydrophobicContact CE1-CE2 3.77Å
440L86.2Confident81.6Confident6 Ų633.4 Ų33.43%0.03118%0.177CC..EExtended strand (participates in β ladder)trans-98.3124.7173.2-169.476.9000110.6A447 W448 L469 M477 F479 I498L440-A447 HydrophobicContact CD1-CB 4.06Å; L440-W448 WeakPolarHBondContact CA-O 3.39Å; L440-L469 HydrophobicContact CD1-CD1 3.35Å; L440-M477 HydrophobicContact CD2-CB 4.09Å; L440-F479 HydrophobicContact CB-CB 3.59Å; L440-F479 HydrophobicContact CB-CD1 4.09Å; L440-F479 HydrophobicContact CB-CD2 3.79Å; L440-F479 HydrophobicContact CB-CE2 4.5Å; L440-F479 HydrophobicContact CB-CG 3.55Å; L440-F479 HydrophobicContact CD2-CB 3.88Å; L440-F479 HydrophobicContact CG-CB 4.37Å; L440-I498 HydrophobicContact CD1-CD1 4.18Å; L440-I498 HydrophobicContact CD2-CG1 4.45Å
441S82.2Confident82.1Confident15 Ų1533.2 Ų33.211%0.10518%0.176CC..EExtended strand (participates in β ladder)trans-101.2142.7166.1-172.40000110W448S441-W448 PolarHBondContact N-O 2.92Å; S441-W448 PolarHBondContact O-N 2.6Å
442S74.2Confident82.6Confident60 Ų6035 Ų3542%0.4218%0.184SC..EExtended strand (participates in β ladder)trans-117.8117.7173.4-174.60000109.3V446S442-V446 WeakPolarHBondContact CA-O 3.49Å
443I69Low83.4Confident59 Ų5937.2 Ų37.230%0.30319%0.186SC..EExtended strand (participates in β ladder)trans-129125.8179.1-59.6172000107.2E445 V446I443-E445 VanDerWaalsContact C-N 3.28Å; I443-E445 PolarHBondContact O-N 3.21Å; I443-V446 PolarHBondContact N-O 2.99Å; I443-V446 WeakPolarHBondContact O-CB 3.37Å; I443-V446 PolarHBondContact O-N 3.09Å
444Q68.6Low84.1Confident178 Ų17834.3 Ų34.383%0.83217%0.166SC*.THydrogen-bonded Turntrans49.345.3176.7-62.4175.2-10.600113.3V446Q444-V446 PolarHBondContact O-N 2.98Å; Q444-V446 VanDerWaalsContact O-N 3.16Å
445E69Low84.2Confident115 Ų11535.8 Ų35.854%0.53717%0.172SC..THydrogen-bonded Turntrans64.812.3-178.3-50.6178.4169.800115.4I443 Q473I443-E445 VanDerWaalsContact C-N 3.28Å; I443-E445 PolarHBondContact O-N 3.21Å; E445-Q473 PolarHBondContact O-N 3.37Å
446V76.7Confident83.7Confident23 Ų2338.3 Ų38.314%0.13919%0.186CC..EExtended strand (participates in β ladder)trans-105.3134.1174.5-176.10000110.3S442 I443 Q444 W448 C468 S470S442-V446 WeakPolarHBondContact CA-O 3.49Å; I443-V446 PolarHBondContact N-O 2.99Å; I443-V446 WeakPolarHBondContact O-CB 3.37Å; I443-V446 PolarHBondContact O-N 3.09Å; Q444-V446 PolarHBondContact O-N 2.98Å; Q444-V446 VanDerWaalsContact O-N 3.16Å; V446-W448 HydrophobicContact CG1-CD2 4.47Å; V446-W448 HydrophobicContact CG1-CZ2 4.07Å; V446-C468 WeakPolarHBondContact CG1-SG 3.38Å; V446-S470 WeakPolarHBondContact CG1-O 3.44Å
447A81.1Confident82.7Confident1 Ų141.8 Ų41.81%0.00821%0.212CC..EExtended strand (participates in β ladder)trans-91.3119.4178.600000110.7L440 L469 S470 M477L440-A447 HydrophobicContact CD1-CB 4.06Å; A447-L469 HydrophobicContact CB-CB 4.26Å; A447-L469 PolarHBondContact O-N 2.89Å; A447-S470 PolarHBondContact N-O 3.5Å; A447-S470 VanDerWaalsContact N-O 3.15Å; A447-M477 HydrophobicContact CB-CE 3.34Å; A447-M477 HydrophobicContact CB-SD 3.3Å; A447-M477 WeakPolarHBondContact CB-SD 3.49Å
448W86.7Confident81.8Confident85 Ų8544.6 Ų44.632%0.32223%0.229SC..EExtended strand (participates in β ladder)trans-114.5120.4179.1-66.594.3000110.4L440 S441 V446 C450 P466 Y467 C468L440-W448 WeakPolarHBondContact CA-O 3.39Å; S441-W448 PolarHBondContact N-O 2.92Å; S441-W448 PolarHBondContact O-N 2.6Å; V446-W448 HydrophobicContact CG1-CD2 4.47Å; V446-W448 HydrophobicContact CG1-CZ2 4.07Å; W448-C450 PolarHBondContact O-N 2.83Å; W448-P466 HydrophobicContact CB-CB 4.5Å; W448-P466 HydrophobicContact CE3-CB 3.84Å; W448-Y467 CarbonylContact C-O 3.55Å; W448-Y467 WeakPolarHBondContact CA-O 3.25Å; W448-C468 HydrophobicContact CD2-CB 4.49Å; W448-C468 HydrophobicContact CE3-CB 3.97Å; W448-C468 HydrophobicContact CH2-CB 3.84Å; W448-C468 HydrophobicContact CZ2-CB 4.34Å; W448-C468 HydrophobicContact CZ3-CB 3.64Å
449L90.1Very high81.3Confident0 Ų047 Ų470%024%0.238CC..EExtended strand (participates in β ladder)trans-76.7115.9166.9-178.562.7000108.1P466 Y467 L469 F524 F526 L535 V537L449-P466 CarbonylContact O-C 3.57Å; L449-P466 VanDerWaalsContact O-CA 3.31Å; L449-P466 WeakPolarHBondContact O-CA 3.26Å; L449-Y467 PolarHBondContact N-O 3.12Å; L449-Y467 PolarHBondContact O-N 3.03Å; L449-L469 HydrophobicContact CB-CD1 3.58Å; L449-L469 HydrophobicContact CB-CD2 4.47Å; L449-L469 HydrophobicContact CB-CG 3.95Å; L449-F524 HydrophobicContact CD2-CE2 4.15Å; L449-F526 HydrophobicContact CD1-CE1 4.33Å; L449-F526 HydrophobicContact CD1-CZ 4.43Å; L449-F526 HydrophobicContact CD2-CB 4.12Å; L449-F526 HydrophobicContact CD2-CD1 3.82Å; L449-F526 HydrophobicContact CD2-CD2 3.99Å; L449-F526 HydrophobicContact CD2-CE1 4.23Å; L449-F526 HydrophobicContact CD2-CE2 4.38Å; L449-F526 HydrophobicContact CD2-CG 3.69Å; L449-F526 HydrophobicContact CD2-CZ 4.49Å; L449-L535 HydrophobicContact CD2-CD1 3.85Å; L449-L535 HydrophobicContact CG-CD1 4.02Å; L449-V537 HydrophobicContact CD2-CG2 4.18Å
450C90.3Very high81.2Confident14 Ų1448.7 Ų48.710%0.09525%0.248CC..EExtended strand (participates in β ladder)trans-105.5135.5174.4-61.60000108.8Y438 Y439 W448 F452Y438-C450 CarbonylContact C-O 3.45Å; Y438-C450 WeakPolarHBondContact CA-O 3.32Å; Y439-C450 HydrophobicContact CD1-CB 3.91Å; Y439-C450 HydrophobicContact CE1-CB 3.47Å; Y439-C450 VanDerWaalsContact CE1-CB 3.47Å; Y439-C450 HydrophobicContact CE2-CB 4.32Å; Y439-C450 HydrophobicContact CG-CB 4.49Å; Y439-C450 PolarHBondContact N-O 3.19Å; Y439-C450 PolarHBondContact O-N 3.05Å; W448-C450 PolarHBondContact O-N 2.83Å; C450-F452 HydrophobicContact CB-CE2 4.4Å
451A92.7Very high81.4Confident2 Ų249.9 Ų49.92%0.01725%0.252CS..EExtended strand (participates in β ladder)trans-134.5151.4174.800000110.8M437 M464 L535M437-A451 CarbonylContact O-C 3.45Å; M437-A451 VanDerWaalsContact O-CA 3.31Å; M437-A451 WeakPolarHBondContact O-CA 3.34Å; A451-M464 HydrophobicContact CB-CB 4.25Å; A451-M464 HydrophobicContact CB-CG 4.36Å; A451-M464 HydrophobicContact CB-SD 3.98Å; A451-M464 WeakPolarHBondContact O-CB 3.1Å; A451-M464 PolarHBondContact O-N 2.78Å; A451-L535 HydrophobicContact CB-CD1 3.91Å; A451-L535 HydrophobicContact CB-CD2 4.05Å
452F92.6Very high81.7Confident38 Ų3853.8 Ų53.817%0.16727%0.265CS..EExtended strand (participates in β ladder)trans-134137.2178.2-66.2-102.1000108.5L404 Y436 M437 Y439 C450 W461 Y462L404-F452 HydrophobicContact CD1-CD1 3.66Å; L404-F452 HydrophobicContact CD1-CE1 3.78Å; L404-F452 HydrophobicContact CD1-CG 4.32Å; L404-F452 HydrophobicContact CD2-CB 3.89Å; L404-F452 HydrophobicContact CD2-CD1 3.95Å; L404-F452 HydrophobicContact CD2-CD2 4.24Å; L404-F452 HydrophobicContact CD2-CG 3.74Å; L404-F452 HydrophobicContact CG-CD1 4.4Å; Y436-F452 CarbonylContact C-O 3.57Å; Y436-F452 VanDerWaalsContact CA-O 3.28Å; Y436-F452 WeakPolarHBondContact CA-O 3.45Å; M437-F452 HydrophobicContact CE-CB 4.06Å; M437-F452 HydrophobicContact CE-CD2 3.37Å; M437-F452 HydrophobicContact CE-CE2 4.11Å; M437-F452 HydrophobicContact CE-CG 3.89Å; M437-F452 PolarHBondContact N-O 3.26Å; M437-F452 PolarHBondContact O-N 2.82Å; Y439-F452 HydrophobicContact CE1-CD2 4.43Å; Y439-F452 AromaticContact CE1-CE2 3.77Å; Y439-F452 HydrophobicContact CE1-CE2 3.77Å; C450-F452 HydrophobicContact CB-CE2 4.4Å; F452-W461 HydrophobicContact CB-CE3 3.82Å; F452-W461 HydrophobicContact CB-CZ3 4.26Å; F452-Y462 CarbonylContact C-O 3.59Å; F452-Y462 VanDerWaalsContact CA-O 3.26Å; F452-Y462 WeakPolarHBondContact CA-O 3.24Å
453R89.9Confident82.5Confident89 Ų8953 Ų5334%0.33627%0.266SS..EExtended strand (participates in β ladder)trans-103.1128172.3-173.3-178.175.1-171.91.7109.2Y436 W461 Y462Y436-R453 HydrophobicContact CD1-CB 4.02Å; Y436-R453 HydrophobicContact CD1-CG 4.29Å; Y436-R453 HydrophobicContact CE1-CB 3.61Å; Y436-R453 HydrophobicContact CE1-CG 3.68Å; Y436-R453 HydrophobicContact CE2-CG 4.14Å; Y436-R453 VanDerWaalsContact OH-CD 3.24Å; Y436-R453 WeakPolarHBondContact OH-CD 3.2Å; R453-W461 WeakPolarHBondContact O-CA 3.46Å; R453-Y462 PolarHBondContact N-O 2.73Å; R453-Y462 PolarHBondContact O-N 3.34Å
454F87.7Confident83.5Confident3 Ų351.1 Ų51.11%0.01326%0.257CS..EExtended strand (participates in β ladder)trans-85118166.1-173-107.9000109.2F375 I401 L435 L456 W459 W461F375-F454 HydrophobicContact CE1-CD1 4.19Å; F375-F454 AromaticContact CE1-CE1 3.8Å; F375-F454 HydrophobicContact CE1-CE1 3.8Å; F375-F454 AromaticContact CZ-CD1 3.87Å; F375-F454 HydrophobicContact CZ-CD1 3.87Å; F375-F454 AromaticContact CZ-CE1 3.72Å; F375-F454 HydrophobicContact CZ-CE1 3.72Å; I401-F454 HydrophobicContact CB-CE2 4.3Å; I401-F454 HydrophobicContact CB-CZ 4.32Å; I401-F454 HydrophobicContact CG2-CE1 4.33Å; I401-F454 HydrophobicContact CG2-CE2 4.3Å; I401-F454 HydrophobicContact CG2-CZ 3.85Å; L435-F454 HydrophobicContact CB-CB 4.05Å; L435-F454 HydrophobicContact CD2-CB 4.05Å; L435-F454 HydrophobicContact CD2-CD1 4.34Å; L435-F454 HydrophobicContact CD2-CG 4.39Å; L435-F454 HydrophobicContact CG-CB 4.24Å; L435-F454 PolarHBondContact O-N 3.42Å; F454-L456 HydrophobicContact CD1-CD2 4.08Å; F454-L456 HydrophobicContact CE1-CD2 3.94Å; F454-W459 HydrophobicContact CE1-CD2 4.3Å; F454-W459 HydrophobicContact CE1-CE3 4.03Å; F454-W459 HydrophobicContact CE1-CZ3 4.15Å; F454-W459 AromaticContact CZ-CD2 3.76Å; F454-W459 HydrophobicContact CZ-CD2 3.76Å; F454-W459 AromaticContact CZ-CE2 3.99Å; F454-W459 AromaticContact CZ-CE3 3.96Å; F454-W459 HydrophobicContact CZ-CE3 3.96Å; F454-W459 HydrophobicContact CZ-CG 4.08Å; F454-W459 HydrophobicContact CZ-CZ2 4.42Å; F454-W459 HydrophobicContact CZ-CZ3 4.39Å; F454-W461 HydrophobicContact CB-CD2 4.09Å; F454-W461 HydrophobicContact CB-CE3 3.74Å; F454-W461 HydrophobicContact CB-CH2 3.91Å; F454-W461 HydrophobicContact CB-CZ2 4.22Å; F454-W461 HydrophobicContact CB-CZ3 3.67Å; F454-W461 AromaticContact CD2-CD2 3.83Å; F454-W461 HydrophobicContact CD2-CD2 3.83Å; F454-W461 AromaticContact CD2-CE2 3.73Å; F454-W461 HydrophobicContact CD2-CE3 4.36Å; F454-W461 HydrophobicContact CD2-CG 4.09Å; F454-W461 HydrophobicContact CD2-CZ2 4.19Å; F454-W461 AromaticContact CD2-NE1 3.89Å; F454-W461 HydrophobicContact CG-CD2 4.45Å; F454-W461 HydrophobicContact CG-CZ2 4.45Å
455D79.9Confident84.5Confident33 Ų3348.8 Ų48.818%0.17625%0.246CC..EExtended strand (participates in β ladder)trans-89.6115.6175.4-169.5-24.3000109.6S457 T458 W459 N460 Y462D455-S457 VanDerWaalsContact CG-OG 3.31Å; D455-S457 PolarHBondContact O-N 3.3Å; D455-S457 WeakPolarHBondContact OD1-CA 3.47Å; D455-S457 VanDerWaalsContact OD1-CB 3.31Å; D455-S457 WeakPolarHBondContact OD1-CB 3.4Å; D455-S457 PolarHBondContact OD1-N 3.25Å; D455-S457 PolarHBondContact OD1-OG 2.99Å; D455-S457 PolarHBondContact OD2-OG 3.45Å; D455-T458 WeakPolarHBondContact CB-OG1 3.32Å; D455-W459 WeakPolarHBondContact O-CA 3.28Å; D455-W459 PolarHBondContact O-N 2.85Å; D455-N460 PolarHBondContact N-O 3.35Å; D455-N460 PolarHBondContact O-N 3.15Å; D455-Y462 HydrophobicContact CB-CD2 3.74Å; D455-Y462 HydrophobicContact CB-CE2 3.47Å; D455-Y462 VanDerWaalsContact CB-CE2 3.47Å
456L75.4Confident85.4Confident56 Ų5646.2 Ų46.229%0.29324%0.239SC..THydrogen-bonded Turntrans-64.7-30.1177.7-67.4172.6000112.5V363 F375 F454 W459V363-L456 HydrophobicContact CG1-CD1 4.12Å; V363-L456 HydrophobicContact CG1-CD2 4.1Å; F375-L456 HydrophobicContact CE2-CD2 4.1Å; F375-L456 HydrophobicContact CZ-CD2 3.59Å; F454-L456 HydrophobicContact CD1-CD2 4.08Å; F454-L456 HydrophobicContact CE1-CD2 3.94Å; L456-W459 HydrophobicContact CD2-CZ3 4.29Å
457S69.7Low86.1Confident85 Ų8549.8 Ų49.859%0.59425%0.25SS*.THydrogen-bonded Turntrans-75.7-41.5-174.572.60000112.3D455D455-S457 VanDerWaalsContact CG-OG 3.31Å; D455-S457 PolarHBondContact O-N 3.3Å; D455-S457 WeakPolarHBondContact OD1-CA 3.47Å; D455-S457 VanDerWaalsContact OD1-CB 3.31Å; D455-S457 WeakPolarHBondContact OD1-CB 3.4Å; D455-S457 PolarHBondContact OD1-N 3.25Å; D455-S457 PolarHBondContact OD1-OG 2.99Å; D455-S457 PolarHBondContact OD2-OG 3.45Å
458T74.8Confident86.4Confident58 Ų5851.1 Ų51.136%0.35626%0.259SS..THydrogen-bonded Turntrans-95.4-6.4176.5670000112.9D455 N460 Y462D455-T458 WeakPolarHBondContact CB-OG1 3.32Å; T458-N460 VanDerWaalsContact C-N 3.28Å; T458-N460 PolarHBondContact O-N 2.87Å; T458-N460 PolarHBondContact O-ND2 2.78Å; T458-Y462 WeakPolarHBondContact CB-OH 3.49Å; T458-Y462 WeakPolarHBondContact CG2-OH 3.19Å; T458-Y462 VanDerWaalsContact OG1-CE2 3.25Å; T458-Y462 WeakPolarHBondContact OG1-CE2 3.33Å; T458-Y462 PolarHBondContact OG1-OH 2.81Å
459W82Confident86.3Confident56 Ų5648.2 Ų48.221%0.21225%0.25CS..THydrogen-bonded Turntrans55.239-177.7-157.6-100.7000113.1F375 A390 K399 L400 I401 P402 F454 D455 L456F375-W459 HydrophobicContact CE1-CH2 4.2Å; A390-W459 HydrophobicContact CB-CH2 3.67Å; A390-W459 HydrophobicContact CB-CZ2 4.07Å; K399-W459 HydrophobicContact CB-CZ2 4.1Å; K399-W459 HydrophobicContact CD-CD2 4.36Å; K399-W459 HydrophobicContact CD-CH2 4.16Å; K399-W459 HydrophobicContact CD-CZ2 3.61Å; K399-W459 HydrophobicContact CG-CZ2 3.81Å; L400-W459 PolarHBondContact O-NE1 3.25Å; I401-W459 HydrophobicContact CG2-CZ2 3.88Å; P402-W459 WeakPolarHBondContact CD-O 3.44Å; P402-W459 WeakPolarHBondContact CG-O 3.41Å; F454-W459 HydrophobicContact CE1-CD2 4.3Å; F454-W459 HydrophobicContact CE1-CE3 4.03Å; F454-W459 HydrophobicContact CE1-CZ3 4.15Å; F454-W459 AromaticContact CZ-CD2 3.76Å; F454-W459 HydrophobicContact CZ-CD2 3.76Å; F454-W459 AromaticContact CZ-CE2 3.99Å; F454-W459 AromaticContact CZ-CE3 3.96Å; F454-W459 HydrophobicContact CZ-CE3 3.96Å; F454-W459 HydrophobicContact CZ-CG 4.08Å; F454-W459 HydrophobicContact CZ-CZ2 4.42Å; F454-W459 HydrophobicContact CZ-CZ3 4.39Å; D455-W459 WeakPolarHBondContact O-CA 3.28Å; D455-W459 PolarHBondContact O-N 2.85Å; L456-W459 HydrophobicContact CD2-CZ3 4.29Å
460N86.9Confident85.7Confident47 Ų4749.4 Ų49.425%0.25126%0.259SS..EExtended strand (participates in β ladder)trans-137.1161.1-174.6-83.4-58.9000112.9D455 T458 Y462D455-N460 PolarHBondContact N-O 3.35Å; D455-N460 PolarHBondContact O-N 3.15Å; T458-N460 VanDerWaalsContact C-N 3.28Å; T458-N460 PolarHBondContact O-N 2.87Å; T458-N460 PolarHBondContact O-ND2 2.78Å; N460-Y462 HydrophobicContact CB-CE2 4.18Å
461W90.1Very high84.8Confident31 Ų3158 Ų5812%0.11729%0.289CS..EExtended strand (participates in β ladder)trans-90.3135172.5-68.2100.6000111.3M377 L386 I401 P402 L404 L435 M437 F452 R453 F454M377-W461 HydrophobicContact SD-CH2 4.45Å; M377-W461 HydrophobicContact SD-CZ2 4.39Å; L386-W461 HydrophobicContact CD2-CH2 3.84Å; L386-W461 HydrophobicContact CD2-CZ2 3.68Å; I401-W461 HydrophobicContact CD1-CZ2 4.02Å; P402-W461 VanDerWaalsContact O-CD1 3.32Å; P402-W461 PolarHBondContact O-NE1 3.46Å; L404-W461 HydrophobicContact CB-CD2 4.37Å; L404-W461 HydrophobicContact CB-CG 4.13Å; L404-W461 HydrophobicContact CD1-CB 3.94Å; L404-W461 HydrophobicContact CD1-CG 4.12Å; L404-W461 HydrophobicContact CD2-CB 4.44Å; L404-W461 HydrophobicContact CD2-CD2 3.71Å; L404-W461 HydrophobicContact CD2-CE3 3.85Å; L404-W461 HydrophobicContact CD2-CG 3.99Å; L404-W461 HydrophobicContact CD2-CZ3 4.34Å; L404-W461 HydrophobicContact CG-CD2 4.49Å; L404-W461 HydrophobicContact CG-CG 4.31Å; L435-W461 HydrophobicContact CD2-CH2 4.17Å; L435-W461 HydrophobicContact CG-CH2 4.45Å; M437-W461 HydrophobicContact CB-CH2 4.11Å; M437-W461 HydrophobicContact CB-CZ3 3.99Å; F452-W461 HydrophobicContact CB-CE3 3.82Å; F452-W461 HydrophobicContact CB-CZ3 4.26Å; R453-W461 WeakPolarHBondContact O-CA 3.46Å; F454-W461 HydrophobicContact CB-CD2 4.09Å; F454-W461 HydrophobicContact CB-CE3 3.74Å; F454-W461 HydrophobicContact CB-CH2 3.91Å; F454-W461 HydrophobicContact CB-CZ2 4.22Å; F454-W461 HydrophobicContact CB-CZ3 3.67Å; F454-W461 AromaticContact CD2-CD2 3.83Å; F454-W461 HydrophobicContact CD2-CD2 3.83Å; F454-W461 AromaticContact CD2-CE2 3.73Å; F454-W461 HydrophobicContact CD2-CE3 4.36Å; F454-W461 HydrophobicContact CD2-CG 4.09Å; F454-W461 HydrophobicContact CD2-CZ2 4.19Å; F454-W461 AromaticContact CD2-NE1 3.89Å; F454-W461 HydrophobicContact CG-CD2 4.45Å; F454-W461 HydrophobicContact CG-CZ2 4.45Å
462Y89.2Confident83.3Confident96 Ų9664.3 Ų64.338%0.37632%0.323SS..EExtended strand (participates in β ladder)trans-117124.4172.6-65.4-90000109.3F452 R453 D455 T458 N460F452-Y462 CarbonylContact C-O 3.59Å; F452-Y462 VanDerWaalsContact CA-O 3.26Å; F452-Y462 WeakPolarHBondContact CA-O 3.24Å; R453-Y462 PolarHBondContact N-O 2.73Å; R453-Y462 PolarHBondContact O-N 3.34Å; D455-Y462 HydrophobicContact CB-CD2 3.74Å; D455-Y462 HydrophobicContact CB-CE2 3.47Å; D455-Y462 VanDerWaalsContact CB-CE2 3.47Å; T458-Y462 WeakPolarHBondContact CB-OH 3.49Å; T458-Y462 WeakPolarHBondContact CG2-OH 3.19Å; T458-Y462 VanDerWaalsContact OG1-CE2 3.25Å; T458-Y462 WeakPolarHBondContact OG1-CE2 3.33Å; T458-Y462 PolarHBondContact OG1-OH 2.81Å; N460-Y462 HydrophobicContact CB-CE2 4.18Å
463G89.9Confident81.8Confident43 Ų4364 Ų6444%0.44332%0.321SS..EExtended strand (participates in β ladder)trans-73.9138.7174.400000111
464M90.2Very high80.5Confident21 Ų2166.1 Ų66.110%0.10334%0.339CS..PPolyproline II helixtrans-92.6159.3172.4-61.8-168.373.700110.5Y436 A451 P466 P528 D533 L535Y436-M464 HydrophobicContact CD1-SD 4.16Å; Y436-M464 HydrophobicContact CE1-SD 3.87Å; A451-M464 HydrophobicContact CB-CB 4.25Å; A451-M464 HydrophobicContact CB-CG 4.36Å; A451-M464 HydrophobicContact CB-SD 3.98Å; A451-M464 WeakPolarHBondContact O-CB 3.1Å; A451-M464 PolarHBondContact O-N 2.78Å; M464-P466 VanDerWaalsContact O-CD 3.31Å; M464-P466 WeakPolarHBondContact O-CD 3.43Å; M464-P528 HydrophobicContact CE-CB 3.8Å; M464-P528 HydrophobicContact CE-CG 4.31Å; M464-P528 HydrophobicContact SD-CG 4.47Å; M464-D533 CarbonylContact C-O 3.55Å; M464-D533 VanDerWaalsContact CA-O 3.25Å; M464-D533 WeakPolarHBondContact CA-O 3.46Å; M464-D533 WeakPolarHBondContact CB-O 3.43Å; M464-D533 WeakPolarHBondContact CE-O 3.49Å; M464-L535 HydrophobicContact CE-CD2 3.55Å; M464-L535 HydrophobicContact CE-CG 4.25Å; M464-L535 HydrophobicContact SD-CD2 3.65Å
465E89.2Confident79.4Confident128 Ų12867.3 Ų67.360%0.59835%0.353SS*.PPolyproline II helixtrans-60.4121.4173.2-169.7-177.1175.800109.7Y467 D533E465-Y467 PolarHBondContact O-N 2.82Å; E465-D533 PolarHBondContact N-O 3.31Å
466P88.7Confident78.7Confident61 Ų6169 Ų6940%0.39636%0.361SS..PPolyproline II helixtrans-62.7137.1179.1-23.734.6000112.1W448 L449 M464W448-P466 HydrophobicContact CB-CB 4.5Å; W448-P466 HydrophobicContact CE3-CB 3.84Å; L449-P466 CarbonylContact O-C 3.57Å; L449-P466 VanDerWaalsContact O-CA 3.31Å; L449-P466 WeakPolarHBondContact O-CA 3.26Å; M464-P466 VanDerWaalsContact O-CD 3.31Å; M464-P466 WeakPolarHBondContact O-CD 3.43Å
467Y90.3Very high78.6Confident98 Ų9867 Ų6738%0.38435%0.35SS..EExtended strand (participates in β ladder)trans-101.6128.2178.4-176-86000111.4W448 L449 E465 L469 V537W448-Y467 CarbonylContact C-O 3.55Å; W448-Y467 WeakPolarHBondContact CA-O 3.25Å; L449-Y467 PolarHBondContact N-O 3.12Å; L449-Y467 PolarHBondContact O-N 3.03Å; E465-Y467 PolarHBondContact O-N 2.82Å; Y467-L469 HydrophobicContact CD1-CD2 4.08Å; Y467-L469 HydrophobicContact CD1-CG 4.18Å; Y467-L469 HydrophobicContact CE1-CD2 4.31Å; Y467-L469 PolarHBondContact O-N 3.08Å; Y467-V537 HydrophobicContact CD1-CB 4.08Å; Y467-V537 HydrophobicContact CD1-CG1 4.31Å; Y467-V537 HydrophobicContact CD1-CG2 3.61Å; Y467-V537 HydrophobicContact CD2-CB 4.44Å; Y467-V537 HydrophobicContact CD2-CG2 3.81Å; Y467-V537 HydrophobicContact CE1-CB 3.8Å; Y467-V537 HydrophobicContact CE1-CG1 4.01Å; Y467-V537 HydrophobicContact CE1-CG2 3.88Å; Y467-V537 HydrophobicContact CE2-CB 4.18Å; Y467-V537 HydrophobicContact CE2-CG2 4.06Å; Y467-V537 HydrophobicContact CG-CB 4.39Å; Y467-V537 HydrophobicContact CG-CG2 3.57Å
468C88.5Confident78.9Confident29 Ų2963.5 Ų63.520%0.19633%0.325CS..EExtended strand (participates in β ladder)trans-76.4105.9176-176.10000110.3V446 W448 R471V446-C468 WeakPolarHBondContact CG1-SG 3.38Å; W448-C468 HydrophobicContact CD2-CB 4.49Å; W448-C468 HydrophobicContact CE3-CB 3.97Å; W448-C468 HydrophobicContact CH2-CB 3.84Å; W448-C468 HydrophobicContact CZ2-CB 4.34Å; W448-C468 HydrophobicContact CZ3-CB 3.64Å; C468-R471 VanDerWaalsContact SG-CG 3.59Å
469L84.5Confident79.2Confident25 Ų2560.8 Ų60.813%0.13131%0.308CS..EExtended strand (participates in β ladder)trans-79.9-38.5-178.5-73.2158.2000112.7L440 A447 L449 Y467 I498 F524 V537L440-L469 HydrophobicContact CD1-CD1 3.35Å; A447-L469 HydrophobicContact CB-CB 4.26Å; A447-L469 PolarHBondContact O-N 2.89Å; L449-L469 HydrophobicContact CB-CD1 3.58Å; L449-L469 HydrophobicContact CB-CD2 4.47Å; L449-L469 HydrophobicContact CB-CG 3.95Å; Y467-L469 HydrophobicContact CD1-CD2 4.08Å; Y467-L469 HydrophobicContact CD1-CG 4.18Å; Y467-L469 HydrophobicContact CE1-CD2 4.31Å; Y467-L469 PolarHBondContact O-N 3.08Å; L469-I498 HydrophobicContact CB-CD1 4.22Å; L469-I498 HydrophobicContact CD1-CD1 3.35Å; L469-I498 HydrophobicContact CD2-CD1 4.27Å; L469-I498 HydrophobicContact CG-CD1 4.15Å; L469-F524 HydrophobicContact CD1-CZ 4.27Å; L469-F524 HydrophobicContact CD2-CD2 4.19Å; L469-F524 HydrophobicContact CD2-CE2 3.88Å; L469-F524 HydrophobicContact CD2-CZ 4.07Å; L469-V537 HydrophobicContact CD2-CG1 4.05Å
470S76.9Confident79.3Confident25 Ų2558.2 Ų58.218%0.17530%0.298CS..EExtended strand (participates in β ladder)trans-153.9139.7177.7-1760000111V446 A447 Q473V446-S470 WeakPolarHBondContact CG1-O 3.44Å; A447-S470 PolarHBondContact N-O 3.5Å; A447-S470 VanDerWaalsContact N-O 3.15Å; S470-Q473 PolarHBondContact OG-NE2 3.32Å
471R72Confident79.4Confident194 Ų19456.3 Ų56.373%0.73229%0.289SS*.SBendtrans-101.3142.6172.6-61.3-178.9-179.1-176.3-0.7109.9C468C468-R471 VanDerWaalsContact SG-CG 3.59Å
472N61.1Low79.2Confident135 Ų13555 Ų5572%0.72228%0.284SS*.  trans55.276.7171.7-61-5.6000115.6
473Q61.2Low79.1Confident30 Ų3052.7 Ų52.714%0.1428%0.276CS..  trans-116.1120.2171.1-63.9-159.60.100113E445 S470 G475 T500E445-Q473 PolarHBondContact O-N 3.37Å; S470-Q473 PolarHBondContact OG-NE2 3.32Å; Q473-G475 VanDerWaalsContact C-N 3.34Å; Q473-G475 PolarHBondContact O-N 3.48Å; Q473-T500 HydrophobicContact CB-CG2 4.23Å; Q473-T500 PolarHBondContact OE1-OG1 3.38Å
474N61.8Low78.9Confident134 Ų13451.8 Ų51.872%0.71726%0.261SS*.SBendtrans-73.685165.9-73.8-10.4000109.5
475G64.6Low78.6Confident29 Ų2951.6 Ų51.630%0.29926%0.26SS..SBendtrans168.8171.7177.400000115.2Q473 V501Q473-G475 VanDerWaalsContact C-N 3.34Å; Q473-G475 PolarHBondContact O-N 3.48Å; G475-V501 CarbonylContact C-O 3.54Å; G475-V501 WeakPolarHBondContact CA-O 3.22Å
476M65.9Low78.2Confident68 Ų6845.8 Ų45.834%0.33523%0.233SC..EExtended strand (participates in β ladder)trans-86.1129.4171.1-177.1-176.468.400109.1F419 L478 V501F419-M476 HydrophobicContact CB-CE 4.17Å; F419-M476 HydrophobicContact CB-CG 4.43Å; F419-M476 HydrophobicContact CB-SD 3.73Å; F419-M476 HydrophobicContact CD1-SD 4.18Å; F419-M476 HydrophobicContact CD2-CG 3.71Å; F419-M476 HydrophobicContact CD2-SD 3.14Å; F419-M476 WeakPolarHBondContact CD2-SD 3.45Å; F419-M476 HydrophobicContact CE2-CG 4.37Å; F419-M476 HydrophobicContact CE2-SD 3.69Å; F419-M476 HydrophobicContact CG-CE 4.39Å; F419-M476 HydrophobicContact CG-CG 4.36Å; F419-M476 HydrophobicContact CG-SD 3.41Å; F419-M476 WeakPolarHBondContact CG-SD 3.24Å; F419-M476 HydrophobicContact CZ-SD 4.41Å; M476-L478 HydrophobicContact CE-CD2 3.73Å; M476-L478 HydrophobicContact CE-CG 4.43Å; M476-V501 HydrophobicContact CB-CB 4.47Å; M476-V501 HydrophobicContact CE-CB 4.14Å; M476-V501 HydrophobicContact CE-CG2 4Å; M476-V501 PolarHBondContact N-O 3.35Å; M476-V501 PolarHBondContact O-N 2.9Å
477M72.7Confident77.4Confident14 Ų1443.8 Ų43.87%0.06922%0.221CC..EExtended strand (participates in β ladder)trans-94.4129.3176.8-68.7-173.9-71.200111L440 A447 E499L440-M477 HydrophobicContact CD2-CB 4.09Å; A447-M477 HydrophobicContact CB-CE 3.34Å; A447-M477 HydrophobicContact CB-SD 3.3Å; A447-M477 WeakPolarHBondContact CB-SD 3.49Å; M477-E499 CarbonylContact C-O 3.59Å; M477-E499 WeakPolarHBondContact CA-O 3.28Å
478L75.8Confident76.6Confident12 Ų1240.2 Ų40.26%0.06321%0.208CC..EExtended strand (participates in β ladder)trans-101.9117.2171.4-53.6175.4000108.5F419 M476 I498 E499 V501F419-L478 VanDerWaalsContact C-CD2 3.49Å; F419-L478 HydrophobicContact CB-CD2 3.49Å; F419-L478 VanDerWaalsContact CB-CD2 3.49Å; F419-L478 WeakPolarHBondContact O-CA 3.19Å; F419-L478 WeakPolarHBondContact O-CD2 3.42Å; M476-L478 HydrophobicContact CE-CD2 3.73Å; M476-L478 HydrophobicContact CE-CG 4.43Å; L478-I498 CarbonylContact O-C 3.59Å; L478-I498 WeakPolarHBondContact O-CA 3.44Å; L478-E499 HydrophobicContact CB-CB 4.19Å; L478-E499 WeakPolarHBondContact CD1-OE2 3.32Å; L478-E499 PolarHBondContact N-O 2.9Å; L478-E499 PolarHBondContact O-N 3.01Å; L478-V501 HydrophobicContact CD1-CG2 3.67Å; L478-V501 HydrophobicContact CG-CG2 3.93Å
479F82.3Confident76.1Confident0 Ų039 Ų390%020%0.2CC..EExtended strand (participates in β ladder)trans-96.9128.2173.8179.1-112.9000109.8C420 Y438 L440 P481 A496 I498 F524C420-F479 PolarHBondContact SG-O 2.83Å; C420-F479 VanDerWaalsContact SG-O 3.35Å; Y438-F479 HydrophobicContact CD2-CE1 4.2Å; Y438-F479 AromaticContact CD2-CZ 3.66Å; Y438-F479 HydrophobicContact CD2-CZ 3.66Å; Y438-F479 HydrophobicContact CE2-CE1 4.25Å; Y438-F479 AromaticContact CE2-CZ 3.68Å; Y438-F479 HydrophobicContact CE2-CZ 3.68Å; L440-F479 HydrophobicContact CB-CB 3.59Å; L440-F479 HydrophobicContact CB-CD1 4.09Å; L440-F479 HydrophobicContact CB-CD2 3.79Å; L440-F479 HydrophobicContact CB-CE2 4.5Å; L440-F479 HydrophobicContact CB-CG 3.55Å; L440-F479 HydrophobicContact CD2-CB 3.88Å; L440-F479 HydrophobicContact CG-CB 4.37Å; F479-P481 HydrophobicContact CE1-CB 4.06Å; F479-P481 HydrophobicContact CE1-CG 4.27Å; F479-P481 HydrophobicContact CZ-CB 4.36Å; F479-A496 HydrophobicContact CE2-CB 3.66Å; F479-A496 HydrophobicContact CZ-CB 3.97Å; F479-I498 HydrophobicContact CD2-CG1 3.98Å; F479-F524 HydrophobicContact CE2-CZ 4.14Å
480T84.4Confident75.7Confident2 Ų239.5 Ų39.51%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-122.9105175-55.80000109.2A496 N497 Y550T480-A496 WeakPolarHBondContact O-CA 3.36Å; T480-N497 PolarHBondContact N-O 3.35Å; T480-N497 PolarHBondContact O-N 2.8Å; T480-Y550 HydrophobicContact CG2-CD1 3.62Å; T480-Y550 HydrophobicContact CG2-CE1 3.68Å
481P87.2Confident76Confident8 Ų839.3 Ų39.35%0.05220%0.201CC..EExtended strand (participates in β ladder)trans-66.9141.7168.429.3-32.7000109.4R424 I426 Y438 F479R424-P481 HydrophobicContact CB-CG 4.19Å; R424-P481 WeakPolarHBondContact O-CD 3.37Å; I426-P481 WeakPolarHBondContact O-CG 3.23Å; Y438-P481 HydrophobicContact CE2-CB 3.75Å; Y438-P481 WeakPolarHBondContact OH-CB 3.39Å; F479-P481 HydrophobicContact CE1-CB 4.06Å; F479-P481 HydrophobicContact CE1-CG 4.27Å; F479-P481 HydrophobicContact CZ-CB 4.36Å
482I87.7Confident76.5Confident4 Ų432 Ų322%0.02118%0.177CC..EExtended strand (participates in β ladder)trans-109.5115.6178.9-60.2168.5000108.1Y495 N497 F523 L552I482-Y495 WeakPolarHBondContact CB-O 3.28Å; I482-Y495 PolarHBondContact N-O 3.26Å; I482-N497 HydrophobicContact CD1-CB 4.46Å; I482-F523 HydrophobicContact CD1-CD2 3.84Å; I482-F523 HydrophobicContact CD1-CE2 3.51Å; I482-L552 HydrophobicContact CG2-CB 4.43Å; I482-L552 HydrophobicContact CG2-CD1 3.55Å; I482-L552 HydrophobicContact CG2-CG 3.52Å
483E85.7Confident77.9Confident46 Ų4626.4 Ų26.422%0.21515%0.146CC..EExtended strand (participates in β ladder)trans-77.1133.6-177.4-49.3-175.6138.400110.4R424 Y550 R551 L552R424-E483 WeakPolarHBondContact CD-OE1 3.42Å; R424-E483 IonicContact CZ-OE1 2.71Å; R424-E483 IonicContact NE-OE1 3.18Å; R424-E483 PolarHBondContact NE-OE1 3.31Å; R424-E483 VanDerWaalsContact NE-OE1 3.08Å; R424-E483 IonicContact NH1-OE1 2.83Å; R424-E483 PolarHBondContact NH1-OE1 3.28Å; E483-Y550 PolarHBondContact N-O 3.49Å; E483-R551 HydrophobicContact CB-CG 4.22Å; E483-R551 CarbonylContact O-C 3.58Å; E483-R551 WeakPolarHBondContact O-CA 3.22Å; E483-R551 IonicContact OE2-CZ 3.41Å; E483-R551 IonicContact OE2-NE 3.61Å; E483-R551 PolarHBondContact OE2-NE 2.91Å; E483-R551 IonicContact OE2-NH2 3.94Å; E483-R551 PolarHBondContact OE2-NH2 2.92Å; E483-L552 PolarHBondContact O-N 3.42Å
484Q86.2Confident79.4Confident25 Ų2525.1 Ų25.112%0.11714%0.14CC..EExtended strand (participates in β ladder)trans-86.3133.7167.4-61.8-151.718.900109.7N486 P489 W493 Y495Q484-N486 VanDerWaalsContact C-N 3.27Å; Q484-P489 VanDerWaalsContact CD-CB 3.49Å; Q484-P489 VanDerWaalsContact CD-CG 3.45Å; Q484-P489 HydrophobicContact CG-CG 4.37Å; Q484-W493 PolarHBondContact NE2-O 3.02Å; Q484-Y495 VanDerWaalsContact NE2-CD2 3.3Å
485L84.8Confident80.8Confident16 Ų1618.8 Ų18.88%0.08411%0.106CC..SBendtrans-72.5-25.4174.7-69.5180000112.3R551 L552 L553 M572 V635 A637L485-R551 HydrophobicContact CD2-CB 4.43Å; L485-R551 HydrophobicContact CG-CB 4.45Å; L485-L552 PolarHBondContact N-O 2.71Å; L485-L553 HydrophobicContact CD1-CB 4.17Å; L485-M572 HydrophobicContact CD1-CB 3.95Å; L485-M572 HydrophobicContact CD1-CE 3.71Å; L485-M572 HydrophobicContact CD1-CG 3.57Å; L485-M572 HydrophobicContact CD1-SD 4.13Å; L485-V635 HydrophobicContact CD1-CG1 3.69Å; L485-V635 HydrophobicContact CD2-CG1 4.14Å; L485-V635 WeakPolarHBondContact CD2-O 3.33Å; L485-A637 HydrophobicContact CB-CB 4.27Å; L485-A637 WeakPolarHBondContact O-CB 3.21Å; L485-A637 PolarHBondContact O-N 2.93Å
486N79.6Confident82.1Confident6 Ų617.4 Ų17.43%0.0329%0.092CC..BIsolated β-bridgetrans-70.3136.4174.3-58.271.1000109.3Q484 I488 A554Q484-N486 VanDerWaalsContact C-N 3.27Å; N486-I488 WeakPolarHBondContact CB-O 3.34Å; N486-I488 PolarHBondContact O-N 3.22Å; N486-A554 PolarHBondContact ND2-O 2.94Å; N486-A554 PolarHBondContact OD1-N 3.47Å
487S71.8Confident83Confident20 Ų2014.9 Ų14.914%0.148%0.08CC..SBendtrans-60.3-32177.759.30000112.9
488I73.7Confident83.5Confident23 Ų2314.4 Ų14.412%0.1188%0.077CC..SBendtrans-131.3131.4168-54.1176.3000106.8T364 N486T364-I488 HydrophobicContact CG2-CD1 4.44Å; T364-I488 HydrophobicContact CG2-CG1 4.47Å; T364-I488 WeakPolarHBondContact OG1-CD1 3.29Å; T364-I488 WeakPolarHBondContact OG1-CG1 3.4Å; N486-I488 WeakPolarHBondContact CB-O 3.34Å; N486-I488 PolarHBondContact O-N 3.22Å
489P78Confident83.6Confident3 Ų314.1 Ų14.12%0.0198%0.076CC..  trans-57.1127.9169.6-21.731.9000111.1T430 L431 Q484 D491 D492T430-P489 VanDerWaalsContact O-CD 3.28Å; T430-P489 WeakPolarHBondContact O-CD 3.27Å; L431-P489 HydrophobicContact CD2-CG 3.74Å; Q484-P489 VanDerWaalsContact CD-CB 3.49Å; Q484-P489 VanDerWaalsContact CD-CG 3.45Å; Q484-P489 HydrophobicContact CG-CG 4.37Å; P489-D491 WeakPolarHBondContact CB-OD1 3.31Å; P489-D491 PolarHBondContact O-N 3.35Å; P489-D492 PolarHBondContact O-N 3.48Å; P489-D492 VanDerWaalsContact O-N 3.13Å
490P77Confident83.2Confident35 Ų3515.3 Ų15.323%0.2278%0.083CC..THydrogen-bonded Turntrans-65.9-23.2176.126.4-33.5000112.8A554 S556 T567P490-A554 HydrophobicContact CG-CB 3.42Å; P490-A554 VanDerWaalsContact CG-CB 3.42Å; P490-S556 WeakPolarHBondContact CB-OG 3.25Å; P490-T567 HydrophobicContact CG-CG2 3.81Å
491D82.9Confident82.4Confident22 Ų2217.3 Ų17.312%0.11810%0.095CC..THydrogen-bonded Turntrans-94.1-3.2176.864.1-7.3000113.4P489 W493 Y495P489-D491 WeakPolarHBondContact CB-OD1 3.31Å; P489-D491 PolarHBondContact O-N 3.35Å; D491-W493 PolarHBondContact O-N 3.38Å; D491-W493 PolarHBondContact OD1-N 2.97Å; D491-Y495 WeakPolarHBondContact OD2-CE2 3.47Å; D491-Y495 PolarHBondContact OD2-OH 3.27Å
492D82.8Confident81.2Confident41 Ų4120 Ų2022%0.21911%0.114CC..  trans55.824.8-178-148.231000114.7L431 S432 P489L431-D492 WeakPolarHBondContact CB-OD1 3.3Å; S432-D492 WeakPolarHBondContact CB-OD1 3.47Å; S432-D492 PolarHBondContact N-OD1 2.81Å; S432-D492 VanDerWaalsContact OG-CG 3.29Å; S432-D492 PolarHBondContact OG-OD1 3.36Å; S432-D492 PolarHBondContact OG-OD2 2.91Å; P489-D492 PolarHBondContact O-N 3.48Å; P489-D492 VanDerWaalsContact O-N 3.13Å
493W91Very high79.8Confident17 Ų1723.7 Ų23.76%0.06414%0.14CC..  trans-104.1151.3177.4-76.6100.1000112Q484 D491 Y495 R525 R527 F536 E538Q484-W493 PolarHBondContact NE2-O 3.02Å; D491-W493 PolarHBondContact O-N 3.38Å; D491-W493 PolarHBondContact OD1-N 2.97Å; W493-Y495 HydrophobicContact CB-CE2 3.89Å; W493-R525 HydrophobicContact CB-CB 4.46Å; W493-R525 HydrophobicContact CD2-CB 4.39Å; W493-R525 HydrophobicContact CD2-CG 4Å; W493-R525 HydrophobicContact CE3-CB 3.82Å; W493-R525 HydrophobicContact CE3-CG 3.54Å; W493-R525 HydrophobicContact CH2-CG 4.18Å; W493-R525 HydrophobicContact CZ3-CB 4.28Å; W493-R525 HydrophobicContact CZ3-CG 3.65Å; W493-R527 HydrophobicContact CD2-CB 4.25Å; W493-R527 HydrophobicContact CD2-CG 4.09Å; W493-R527 HydrophobicContact CE3-CB 3.88Å; W493-R527 HydrophobicContact CE3-CG 3.78Å; W493-R527 HydrophobicContact CH2-CG 4.18Å; W493-R527 HydrophobicContact CZ2-CG 4.36Å; W493-R527 HydrophobicContact CZ3-CB 4.33Å; W493-R527 HydrophobicContact CZ3-CG 3.83Å; W493-F536 AromaticContact CH2-CD1 3.2Å; W493-F536 HydrophobicContact CH2-CD1 3.2Å; W493-F536 AromaticContact CH2-CE1 3.42Å; W493-F536 HydrophobicContact CH2-CE1 3.42Å; W493-F536 VanDerWaalsContact CH2-CE1 3.42Å; W493-F536 HydrophobicContact CH2-CG 4.42Å; W493-F536 AromaticContact CZ2-CD1 3.92Å; W493-F536 HydrophobicContact CZ2-CD1 3.92Å; W493-F536 AromaticContact CZ2-CE1 3.97Å; W493-F536 HydrophobicContact CZ2-CE1 3.97Å; W493-F536 AromaticContact CZ3-CD1 3.95Å; W493-F536 HydrophobicContact CZ3-CD1 3.95Å; W493-F536 HydrophobicContact CZ3-CE1 4.48Å; W493-E538 HydrophobicContact CH2-CB 4.34Å
494V92.2Very high78.3Confident3 Ų325.8 Ų25.82%0.01816%0.16CC..EExtended strand (participates in β ladder)trans-107.6138.7171.5-172.20000109.2T429 L431 Y438 R525 F526T429-V494 HydrophobicContact CG2-CG1 4.22Å; T429-V494 HydrophobicContact CG2-CG2 3.76Å; L431-V494 HydrophobicContact CD1-CG2 4Å; L431-V494 HydrophobicContact CD2-CG2 3.87Å; L431-V494 HydrophobicContact CG-CG2 4.3Å; Y438-V494 HydrophobicContact CD1-CG1 3.98Å; Y438-V494 HydrophobicContact CE1-CG1 3.3Å; Y438-V494 HydrophobicContact CE2-CG1 4.04Å; Y438-V494 WeakPolarHBondContact OH-CG1 3.35Å; V494-R525 CarbonylContact O-C 3.5Å; V494-R525 WeakPolarHBondContact O-CA 3.09Å; V494-R525 WeakPolarHBondContact O-CB 3.34Å; V494-F526 HydrophobicContact CB-CD1 4.2Å; V494-F526 HydrophobicContact CB-CD2 4.27Å; V494-F526 HydrophobicContact CB-CE1 3.77Å; V494-F526 HydrophobicContact CB-CE2 3.85Å; V494-F526 HydrophobicContact CB-CG 4.43Å; V494-F526 HydrophobicContact CB-CZ 3.57Å; V494-F526 WeakPolarHBondContact CB-O 3.45Å; V494-F526 HydrophobicContact CG1-CD1 4.45Å; V494-F526 HydrophobicContact CG1-CE1 3.57Å; V494-F526 HydrophobicContact CG1-CE2 4.07Å; V494-F526 HydrophobicContact CG1-CZ 3.33Å; V494-F526 HydrophobicContact CG2-CE2 4.19Å; V494-F526 HydrophobicContact CG2-CZ 4.28Å; V494-F526 PolarHBondContact N-O 2.75Å; V494-F526 PolarHBondContact O-N 2.78Å
495Y91.8Very high76.3Confident0 Ų031.4 Ų31.40%019%0.191CC..EExtended strand (participates in β ladder)trans-114.8141.5-175.2-67.3-86.6000111.3Y438 I482 Q484 D491 W493 F523 R525 L540 L552 L569Y438-Y495 PolarHBondContact OH-O 2.96Å; I482-Y495 WeakPolarHBondContact CB-O 3.28Å; I482-Y495 PolarHBondContact N-O 3.26Å; Q484-Y495 VanDerWaalsContact NE2-CD2 3.3Å; D491-Y495 WeakPolarHBondContact OD2-CE2 3.47Å; D491-Y495 PolarHBondContact OD2-OH 3.27Å; W493-Y495 HydrophobicContact CB-CE2 3.89Å; Y495-F523 HydrophobicContact CD1-CE1 4.42Å; Y495-F523 AromaticContact CD1-CE2 3.85Å; Y495-F523 HydrophobicContact CD1-CE2 3.85Å; Y495-F523 AromaticContact CD1-CZ 3.48Å; Y495-F523 HydrophobicContact CD1-CZ 3.48Å; Y495-F523 VanDerWaalsContact CD1-CZ 3.48Å; Y495-F523 HydrophobicContact CE1-CZ 4.13Å; Y495-F523 HydrophobicContact CG-CE2 4.42Å; Y495-F523 HydrophobicContact CG-CZ 4.33Å; Y495-R525 HydrophobicContact CD1-CB 3.76Å; Y495-R525 HydrophobicContact CE1-CB 3.66Å; Y495-R525 HydrophobicContact CE1-CG 4.37Å; Y495-R525 HydrophobicContact CG-CB 4.46Å; Y495-L540 HydrophobicContact CD1-CD1 4.02Å; Y495-L540 HydrophobicContact CE1-CD1 3.74Å; Y495-L552 HydrophobicContact CD1-CD1 4.36Å; Y495-L552 HydrophobicContact CD2-CD1 3.97Å; Y495-L552 HydrophobicContact CG-CD1 3.8Å; Y495-L569 HydrophobicContact CD1-CD1 4.37Å; Y495-L569 HydrophobicContact CD2-CD1 4.31Å; Y495-L569 HydrophobicContact CE1-CD1 3.68Å; Y495-L569 HydrophobicContact CE2-CD1 3.64Å; Y495-L569 WeakPolarHBondContact OH-CD1 3.43Å
496A89.9Confident74.3Confident0 Ų035.6 Ų35.60%022%0.222CC..EExtended strand (participates in β ladder)trans-153.7165.7175.700000111.7Y438 F479 T480 F523 F524Y438-A496 HydrophobicContact CE2-CB 4.4Å; F479-A496 HydrophobicContact CE2-CB 3.66Å; F479-A496 HydrophobicContact CZ-CB 3.97Å; T480-A496 WeakPolarHBondContact O-CA 3.36Å; A496-F523 WeakPolarHBondContact O-CD2 3.16Å; A496-F524 HydrophobicContact CB-CE1 3.78Å; A496-F524 HydrophobicContact CB-CE2 4.08Å; A496-F524 HydrophobicContact CB-CZ 3.55Å; A496-F524 PolarHBondContact N-O 2.9Å; A496-F524 WeakPolarHBondContact O-CD1 3.47Å; A496-F524 PolarHBondContact O-N 3.37Å; A496-F524 VanDerWaalsContact O-O 3.12Å
497N86.4Confident72.4Confident16 Ų1646.4 Ų46.49%0.08626%0.262CS..EExtended strand (participates in β ladder)trans-128.4142.2174.2178.641.2000110.6T480 I482 E499 S521 Q522T480-N497 PolarHBondContact N-O 3.35Å; T480-N497 PolarHBondContact O-N 2.8Å; I482-N497 HydrophobicContact CD1-CB 4.46Å; N497-E499 PolarHBondContact ND2-OE1 3.16Å; N497-S521 WeakPolarHBondContact OD1-CB 3.49Å; N497-Q522 WeakPolarHBondContact CA-O 3.43Å; N497-Q522 VanDerWaalsContact OD1-C 3.23Å; N497-Q522 PolarHBondContact OD1-N 3.5Å; N497-Q522 PolarHBondContact OD1-O 3.28Å
498I82.2Confident70.9Confident4 Ų456 Ų562%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-119.9135169.7-69.2152.9000109.1L440 L469 L478 F479 S521 Q522 F524L440-I498 HydrophobicContact CD1-CD1 4.18Å; L440-I498 HydrophobicContact CD2-CG1 4.45Å; L469-I498 HydrophobicContact CB-CD1 4.22Å; L469-I498 HydrophobicContact CD1-CD1 3.35Å; L469-I498 HydrophobicContact CD2-CD1 4.27Å; L469-I498 HydrophobicContact CG-CD1 4.15Å; L478-I498 CarbonylContact O-C 3.59Å; L478-I498 WeakPolarHBondContact O-CA 3.44Å; F479-I498 HydrophobicContact CD2-CG1 3.98Å; I498-S521 CarbonylContact O-C 3.48Å; I498-S521 WeakPolarHBondContact O-CA 3.33Å; I498-Q522 PolarHBondContact N-O 3.41Å; I498-Q522 PolarHBondContact O-N 2.93Å; I498-F524 HydrophobicContact CD1-CD1 4.22Å; I498-F524 HydrophobicContact CD1-CE1 3.36Å; I498-F524 HydrophobicContact CD1-CZ 3.77Å; I498-F524 HydrophobicContact CG1-CE1 3.73Å; I498-F524 HydrophobicContact CG1-CZ 4.35Å
499E78.6Confident69.5Low6 Ų660 Ų603%0.02832%0.322CS..EExtended strand (participates in β ladder)trans-122.3136173.2-54.3170178.700110.2M477 L478 N497 R548M477-E499 CarbonylContact C-O 3.59Å; M477-E499 WeakPolarHBondContact CA-O 3.28Å; L478-E499 HydrophobicContact CB-CB 4.19Å; L478-E499 WeakPolarHBondContact CD1-OE2 3.32Å; L478-E499 PolarHBondContact N-O 2.9Å; L478-E499 PolarHBondContact O-N 3.01Å; N497-E499 PolarHBondContact ND2-OE1 3.16Å; E499-R548 VanDerWaalsContact CD-CZ 3.43Å; E499-R548 IonicContact OE1-CZ 3.58Å; E499-R548 IonicContact OE1-NE 3.59Å; E499-R548 PolarHBondContact OE1-NE 2.95Å; E499-R548 IonicContact OE1-NH1 2.71Å; E499-R548 PolarHBondContact OE1-NH1 2.76Å; E499-R548 IonicContact OE1-NH2 3.83Å; E499-R548 IonicContact OE2-CZ 3.36Å; E499-R548 IonicContact OE2-NE 3.08Å; E499-R548 IonicContact OE2-NH1 2.98Å; E499-R548 PolarHBondContact OE2-NH1 2.77Å; E499-R548 IonicContact OE2-NH2 3.42Å; E499-R548 PolarHBondContact OE2-NH2 3.33Å
500T74Confident67.5Low24 Ų2469.4 Ų69.415%0.14736%0.357CS..EExtended strand (participates in β ladder)trans-97.4124.7171.1-26.90000110.9Q473 R520Q473-T500 HydrophobicContact CB-CG2 4.23Å; Q473-T500 PolarHBondContact OE1-OG1 3.38Å; T500-R520 PolarHBondContact N-O 3.43Å
501V67.8Low65.7Low44 Ų4476.5 Ų76.527%0.26739%0.387SS..EExtended strand (participates in β ladder)trans-106119.6171.4-168.20000108.7G475 M476 L478 S503 L519G475-V501 CarbonylContact C-O 3.54Å; G475-V501 WeakPolarHBondContact CA-O 3.22Å; M476-V501 HydrophobicContact CB-CB 4.47Å; M476-V501 HydrophobicContact CE-CB 4.14Å; M476-V501 HydrophobicContact CE-CG2 4Å; M476-V501 PolarHBondContact N-O 3.35Å; M476-V501 PolarHBondContact O-N 2.9Å; L478-V501 HydrophobicContact CD1-CG2 3.67Å; L478-V501 HydrophobicContact CG-CG2 3.93Å; V501-S503 PolarHBondContact O-N 3.18Å; V501-L519 HydrophobicContact CB-CD2 4.38Å; V501-L519 HydrophobicContact CG2-CD2 3.73Å
502S62.1Low63.5Low64 Ų6478.6 Ų78.645%0.44841%0.413SS..  trans-58.3133.7174.3179.80000111.2S504S502-S504 PolarHBondContact O-N 2.87Å; S502-S504 PolarHBondContact OG-N 2.52Å; S502-S504 PolarHBondContact OG-OG 3.46Å
503S58.5Low61.5Low82 Ų8278.9 Ų78.957%0.57342%0.415SS*.THydrogen-bonded Turntrans-67.9-16.5176.359.70000113.5V501 N505V501-S503 PolarHBondContact O-N 3.18Å; S503-N505 PolarHBondContact O-N 3.23Å; S503-N505 VanDerWaalsContact O-N 3.14Å
504S52.6Low59.1Low90 Ų9084.5 Ų84.563%0.62944%0.442SS*.THydrogen-bonded Turntrans-64.8-16.1-175.558.90000115S502 S506S502-S504 PolarHBondContact O-N 2.87Å; S502-S504 PolarHBondContact OG-N 2.52Å; S502-S504 PolarHBondContact OG-OG 3.46Å; S504-S506 PolarHBondContact O-N 2.86Å
505N44.9Very low56.4Low143 Ų14392.9 Ų92.977%0.76548%0.48SS*.  trans-97.160172.6-76.7-22.4000111.3S503 R507S503-N505 PolarHBondContact O-N 3.23Å; S503-N505 VanDerWaalsContact O-N 3.14Å; N505-R507 PolarHBondContact O-N 3.22Å; N505-R507 VanDerWaalsContact O-N 3.16Å
506S43.9Very low54Low105 Ų10595.3 Ų95.373%0.73450%0.496SS*.  trans-76.49.1-17362.40000116S504S504-S506 PolarHBondContact O-N 2.86Å
507R39.3Very low51.7Low232 Ų232101.8 Ų101.888%0.87554%0.541SS*.SBendtrans-112.787.7178.2-67.3-171.7-178.5-176.91.9111.2N505N505-R507 PolarHBondContact O-N 3.22Å; N505-R507 VanDerWaalsContact O-N 3.16Å
508R40.6Very low49.5Very low223 Ų223105.1 Ų105.184%0.84257%0.571SS**  trans74.2119174.3-55.8-175.3176.1-172.7-1.6114.4R510R508-R510 PolarHBondContact O-N 2.89Å
509P42.9Very low48.2Very low105 Ų105106.8 Ų106.868%0.68258%0.579SS**  trans-58.9111.6160.325.1-29000106.7H511P509-H511 PolarHBondContact O-N 2.82Å
510R36.5Very low47.4Very low202 Ų202116.2 Ų116.276%0.76262%0.615SS**  trans-62.4106.1173.1-77.7-179.4178.6172-0.7106.8R508 G512 L513R508-R510 PolarHBondContact O-N 2.89Å; R510-G512 PolarHBondContact O-N 3.31Å; R510-L513 HydrophobicContact CB-CD1 3.57Å; R510-L513 WeakPolarHBondContact O-CD1 3.12Å
511H39.7Very low47.5Very low184 Ų184116.7 Ų116.785%0.85262%0.619SS**SBendtrans-66.210.6173.5-73.2-73.2000113.9P509P509-H511 PolarHBondContact O-N 2.82Å
512G36.8Very low48.2Very low65 Ų65117.8 Ų117.867%0.6762%0.621SS**  trans-125.188.1172.400000109.8R510R510-G512 PolarHBondContact O-N 3.31Å
513L40Very low49.4Very low48 Ų48114.9 Ų114.925%0.25160%0.601SS.*  trans-132.572-170.9-127.489.7000111.1F421 R510 Q515 T516F421-L513 HydrophobicContact CE2-CB 4.04Å; F421-L513 HydrophobicContact CZ-CB 4.11Å; R510-L513 HydrophobicContact CB-CD1 3.57Å; R510-L513 WeakPolarHBondContact O-CD1 3.12Å; L513-Q515 VanDerWaalsContact C-N 3.27Å; L513-T516 HydrophobicContact CD1-CG2 4.3Å; L513-T516 HydrophobicContact CD2-CG2 3.15Å; L513-T516 HydrophobicContact CG-CG2 3.67Å
514H40.6Very low51Low135 Ų135111 Ų11163%0.62557%0.573SS**SBendtrans-91.48.6156.4-71.2-67.1000111.5
515Q35Very low52.9Low178 Ų178107.6 Ų107.683%0.83255%0.547SS*.  trans-135.890.7-178.6-73.2-177.5-9.300110.1L513L513-Q515 VanDerWaalsContact C-N 3.27Å
516T41Very low55.3Low52 Ų52101.1 Ų101.132%0.31951%0.512SS..  trans-141.787.3163.336.10000110.8L513 A518 L519L513-T516 HydrophobicContact CD1-CG2 4.3Å; L513-T516 HydrophobicContact CD2-CG2 3.15Å; L513-T516 HydrophobicContact CG-CG2 3.67Å; T516-A518 PolarHBondContact O-N 2.97Å; T516-L519 HydrophobicContact CG2-CD1 4.33Å; T516-L519 HydrophobicContact CG2-CG 4.26Å; T516-L519 WeakPolarHBondContact OG1-CD1 3.35Å
517S41.4Very low57.5Low135 Ų135100.8 Ų100.894%0.94449%0.494SS*.THydrogen-bonded Turntrans-63.8-5.8164.945.80000113.9
518A42.1Very low59.8Low87 Ų8790.7 Ų90.772%0.71946%0.459SS*.THydrogen-bonded Turntrans-100.7-3.4-178.500000114.7T516T516-A518 PolarHBondContact O-N 2.97Å
519L53.2Low62Low38 Ų3887 Ų8720%0.19945%0.445CS..  trans-82.3118.4176.8-67.6175.9000109.5V501 T516 S521V501-L519 HydrophobicContact CB-CD2 4.38Å; V501-L519 HydrophobicContact CG2-CD2 3.73Å; T516-L519 HydrophobicContact CG2-CD1 4.33Å; T516-L519 HydrophobicContact CG2-CG 4.26Å; T516-L519 WeakPolarHBondContact OG1-CD1 3.35Å; L519-S521 PolarHBondContact O-N 3.09Å
520R62.4Low63.4Low204 Ų20487.1 Ų87.177%0.7745%0.445SS*.EExtended strand (participates in β ladder)trans-80.195.9163.2-66.9-176.1179.9-175.7-0.4107.2T500T500-R520 PolarHBondContact N-O 3.43Å
521S75.7Confident65.1Low34 Ų3485.3 Ų85.324%0.23845%0.451CS..EExtended strand (participates in β ladder)trans-79144.2166.465.20000109.5N497 I498 L519 N542N497-S521 WeakPolarHBondContact OD1-CB 3.49Å; I498-S521 CarbonylContact O-C 3.48Å; I498-S521 WeakPolarHBondContact O-CA 3.33Å; L519-S521 PolarHBondContact O-N 3.09Å; S521-N542 PolarHBondContact O-ND2 2.99Å; S521-N542 PolarHBondContact O-OD1 3Å; S521-N542 VanDerWaalsContact O-OD1 3.11Å; S521-N542 PolarHBondContact OG-OD1 2.84Å
522Q83.8Confident66.6Low68 Ų6878.4 Ų78.432%0.31843%0.429SS..EExtended strand (participates in β ladder)trans-125.9105.1172.5-71.3-178.5-14.600107.7N497 I498N497-Q522 WeakPolarHBondContact CA-O 3.43Å; N497-Q522 VanDerWaalsContact OD1-C 3.23Å; N497-Q522 PolarHBondContact OD1-N 3.5Å; N497-Q522 PolarHBondContact OD1-O 3.28Å; I498-Q522 PolarHBondContact N-O 3.41Å; I498-Q522 PolarHBondContact O-N 2.93Å
523F87.3Confident68.7Low3 Ų380.3 Ų80.31%0.01342%0.424CS..EExtended strand (participates in β ladder)trans-79.5130.5169.6-177.8-131.4000109.7I482 Y495 A496 L540 N542 M549 W593I482-F523 HydrophobicContact CD1-CD2 3.84Å; I482-F523 HydrophobicContact CD1-CE2 3.51Å; Y495-F523 HydrophobicContact CD1-CE1 4.42Å; Y495-F523 AromaticContact CD1-CE2 3.85Å; Y495-F523 HydrophobicContact CD1-CE2 3.85Å; Y495-F523 AromaticContact CD1-CZ 3.48Å; Y495-F523 HydrophobicContact CD1-CZ 3.48Å; Y495-F523 VanDerWaalsContact CD1-CZ 3.48Å; Y495-F523 HydrophobicContact CE1-CZ 4.13Å; Y495-F523 HydrophobicContact CG-CE2 4.42Å; Y495-F523 HydrophobicContact CG-CZ 4.33Å; A496-F523 WeakPolarHBondContact O-CD2 3.16Å; F523-L540 HydrophobicContact CD1-CB 3.54Å; F523-L540 HydrophobicContact CD1-CD1 3.87Å; F523-L540 HydrophobicContact CD1-CG 4.35Å; F523-L540 HydrophobicContact CE1-CB 3.99Å; F523-L540 HydrophobicContact CE1-CD1 3.47Å; F523-L540 VanDerWaalsContact CE1-CD1 3.47Å; F523-L540 HydrophobicContact CE1-CG 4.4Å; F523-L540 HydrophobicContact CG-CB 4.28Å; F523-L540 HydrophobicContact CZ-CD1 3.93Å; F523-L540 PolarHBondContact O-N 2.94Å; F523-N542 PolarHBondContact N-OD1 2.84Å; F523-M549 HydrophobicContact CD1-CE 4.4Å; F523-M549 HydrophobicContact CD2-CE 4.01Å; F523-M549 HydrophobicContact CE1-CE 4.32Å; F523-M549 HydrophobicContact CE2-CE 3.93Å; F523-M549 HydrophobicContact CG-CE 4.25Å; F523-M549 HydrophobicContact CZ-CE 4.08Å; F523-W593 HydrophobicContact CD1-CZ2 4.25Å; F523-W593 AromaticContact CE1-CZ2 3.96Å; F523-W593 HydrophobicContact CE1-CZ2 3.96Å
524F91.1Very high71Confident0 Ų078.9 Ų78.90%042%0.419CS..EExtended strand (participates in β ladder)trans-147.1161.7-179.869.3-82.1000111.1L449 L469 F479 A496 I498 F526 V537 E538L449-F524 HydrophobicContact CD2-CE2 4.15Å; L469-F524 HydrophobicContact CD1-CZ 4.27Å; L469-F524 HydrophobicContact CD2-CD2 4.19Å; L469-F524 HydrophobicContact CD2-CE2 3.88Å; L469-F524 HydrophobicContact CD2-CZ 4.07Å; F479-F524 HydrophobicContact CE2-CZ 4.14Å; A496-F524 HydrophobicContact CB-CE1 3.78Å; A496-F524 HydrophobicContact CB-CE2 4.08Å; A496-F524 HydrophobicContact CB-CZ 3.55Å; A496-F524 PolarHBondContact N-O 2.9Å; A496-F524 WeakPolarHBondContact O-CD1 3.47Å; A496-F524 PolarHBondContact O-N 3.37Å; A496-F524 VanDerWaalsContact O-O 3.12Å; I498-F524 HydrophobicContact CD1-CD1 4.22Å; I498-F524 HydrophobicContact CD1-CE1 3.36Å; I498-F524 HydrophobicContact CD1-CZ 3.77Å; I498-F524 HydrophobicContact CG1-CE1 3.73Å; I498-F524 HydrophobicContact CG1-CZ 4.35Å; F524-F526 HydrophobicContact CD2-CD1 4.19Å; F524-F526 AromaticContact CE2-CD1 3.75Å; F524-F526 HydrophobicContact CE2-CD1 3.75Å; F524-F526 HydrophobicContact CE2-CE1 4.29Å; F524-V537 HydrophobicContact CD2-CG1 3.94Å; F524-E538 VanDerWaalsContact CA-O 3.31Å; F524-E538 WeakPolarHBondContact CA-O 3.46Å; F524-E538 VanDerWaalsContact CB-O 3.32Å; F524-E538 WeakPolarHBondContact CB-O 3.41Å
525R93.4Very high73.4Confident19 Ų1972.8 Ų72.87%0.07239%0.391CS..EExtended strand (participates in β ladder)trans-123.8153.217165.1177.5-177.8-162.7-4.9111.3W493 V494 Y495 V537 E538 L540 T588 C591W493-R525 HydrophobicContact CB-CB 4.46Å; W493-R525 HydrophobicContact CD2-CB 4.39Å; W493-R525 HydrophobicContact CD2-CG 4Å; W493-R525 HydrophobicContact CE3-CB 3.82Å; W493-R525 HydrophobicContact CE3-CG 3.54Å; W493-R525 HydrophobicContact CH2-CG 4.18Å; W493-R525 HydrophobicContact CZ3-CB 4.28Å; W493-R525 HydrophobicContact CZ3-CG 3.65Å; V494-R525 CarbonylContact O-C 3.5Å; V494-R525 WeakPolarHBondContact O-CA 3.09Å; V494-R525 WeakPolarHBondContact O-CB 3.34Å; Y495-R525 HydrophobicContact CD1-CB 3.76Å; Y495-R525 HydrophobicContact CE1-CB 3.66Å; Y495-R525 HydrophobicContact CE1-CG 4.37Å; Y495-R525 HydrophobicContact CG-CB 4.46Å; R525-V537 WeakPolarHBondContact O-CA 3.27Å; R525-E538 HydrophobicContact CG-CB 4.06Å; R525-E538 IonicContact CZ-OE2 3.27Å; R525-E538 PolarHBondContact N-O 2.88Å; R525-E538 IonicContact NE-OE2 3.93Å; R525-E538 PolarHBondContact NE-OE2 3.28Å; R525-E538 VanDerWaalsContact NH2-CD 3.35Å; R525-E538 IonicContact NH2-OE1 3.08Å; R525-E538 PolarHBondContact NH2-OE1 3.32Å; R525-E538 IonicContact NH2-OE2 3.26Å; R525-E538 PolarHBondContact NH2-OE2 2.89Å; R525-E538 PolarHBondContact O-N 2.9Å; R525-L540 HydrophobicContact CB-CD1 3.96Å; R525-L540 HydrophobicContact CG-CD1 3.85Å; R525-L540 HydrophobicContact CG-CD2 4.1Å; R525-L540 HydrophobicContact CG-CG 4.12Å; R525-T588 PolarHBondContact NH1-O 3.27Å; R525-C591 PolarHBondContact NH2-SG 2.85Å
526F93.9Very high76.1Confident6 Ų668.7 Ų68.73%0.02637%0.371CS..EExtended strand (participates in β ladder)trans-146.5158.2174.667.9-84.4000112Y438 L449 V494 F524 L535 F536 V537Y438-F526 AromaticContact CD1-CZ 3.84Å; Y438-F526 HydrophobicContact CD1-CZ 3.84Å; Y438-F526 AromaticContact CD2-CE1 3.89Å; Y438-F526 HydrophobicContact CD2-CE1 3.89Å; Y438-F526 AromaticContact CD2-CZ 3.45Å; Y438-F526 HydrophobicContact CD2-CZ 3.45Å; Y438-F526 VanDerWaalsContact CD2-CZ 3.45Å; Y438-F526 HydrophobicContact CE1-CZ 4.22Å; Y438-F526 AromaticContact CE2-CE1 4Å; Y438-F526 HydrophobicContact CE2-CE1 4Å; Y438-F526 AromaticContact CE2-CZ 3.85Å; Y438-F526 HydrophobicContact CE2-CZ 3.85Å; Y438-F526 HydrophobicContact CG-CE1 4.33Å; Y438-F526 HydrophobicContact CG-CE2 4.23Å; Y438-F526 AromaticContact CG-CZ 3.43Å; Y438-F526 HydrophobicContact CG-CZ 3.43Å; Y438-F526 VanDerWaalsContact CG-CZ 3.43Å; L449-F526 HydrophobicContact CD1-CE1 4.33Å; L449-F526 HydrophobicContact CD1-CZ 4.43Å; L449-F526 HydrophobicContact CD2-CB 4.12Å; L449-F526 HydrophobicContact CD2-CD1 3.82Å; L449-F526 HydrophobicContact CD2-CD2 3.99Å; L449-F526 HydrophobicContact CD2-CE1 4.23Å; L449-F526 HydrophobicContact CD2-CE2 4.38Å; L449-F526 HydrophobicContact CD2-CG 3.69Å; L449-F526 HydrophobicContact CD2-CZ 4.49Å; V494-F526 HydrophobicContact CB-CD1 4.2Å; V494-F526 HydrophobicContact CB-CD2 4.27Å; V494-F526 HydrophobicContact CB-CE1 3.77Å; V494-F526 HydrophobicContact CB-CE2 3.85Å; V494-F526 HydrophobicContact CB-CG 4.43Å; V494-F526 HydrophobicContact CB-CZ 3.57Å; V494-F526 WeakPolarHBondContact CB-O 3.45Å; V494-F526 HydrophobicContact CG1-CD1 4.45Å; V494-F526 HydrophobicContact CG1-CE1 3.57Å; V494-F526 HydrophobicContact CG1-CE2 4.07Å; V494-F526 HydrophobicContact CG1-CZ 3.33Å; V494-F526 HydrophobicContact CG2-CE2 4.19Å; V494-F526 HydrophobicContact CG2-CZ 4.28Å; V494-F526 PolarHBondContact N-O 2.75Å; V494-F526 PolarHBondContact O-N 2.78Å; F524-F526 HydrophobicContact CD2-CD1 4.19Å; F524-F526 AromaticContact CE2-CD1 3.75Å; F524-F526 HydrophobicContact CE2-CD1 3.75Å; F524-F526 HydrophobicContact CE2-CE1 4.29Å; F526-L535 HydrophobicContact CD2-CD2 4.16Å; F526-F536 CarbonylContact C-O 3.53Å; F526-F536 WeakPolarHBondContact CA-O 3.49Å; F526-F536 WeakPolarHBondContact CB-O 3.01Å; F526-V537 HydrophobicContact CB-CB 4.35Å; F526-V537 HydrophobicContact CB-CG1 4.42Å; F526-V537 HydrophobicContact CB-CG2 3.83Å
527R91.6Very high78.5Confident98 Ų9867 Ų6737%0.3736%0.361SS..EExtended strand (participates in β ladder)trans-151.7159.4173.565.5179.8179.1179.80.3111.2W493 F536W493-R527 HydrophobicContact CD2-CB 4.25Å; W493-R527 HydrophobicContact CD2-CG 4.09Å; W493-R527 HydrophobicContact CE3-CB 3.88Å; W493-R527 HydrophobicContact CE3-CG 3.78Å; W493-R527 HydrophobicContact CH2-CG 4.18Å; W493-R527 HydrophobicContact CZ2-CG 4.36Å; W493-R527 HydrophobicContact CZ3-CB 4.33Å; W493-R527 HydrophobicContact CZ3-CG 3.83Å; R527-F536 HydrophobicContact CG-CB 4.38Å; R527-F536 PolarHBondContact N-O 2.8Å; R527-F536 PolarHBondContact O-N 3.07Å
528P87.6Confident81Confident21 Ų2163.2 Ų63.214%0.13633%0.328CS..EExtended strand (participates in β ladder)trans-60.1144.9170.3-2133.2000112.1L431 Y436 M464L431-P528 HydrophobicContact CD1-CG 4.03Å; Y436-P528 HydrophobicContact CD1-CG 4.07Å; Y436-P528 HydrophobicContact CE1-CB 4.22Å; Y436-P528 HydrophobicContact CE1-CG 3.29Å; Y436-P528 HydrophobicContact CE2-CG 4.25Å; Y436-P528 WeakPolarHBondContact OH-CG 3.46Å; M464-P528 HydrophobicContact CE-CB 3.8Å; M464-P528 HydrophobicContact CE-CG 4.31Å; M464-P528 HydrophobicContact SD-CG 4.47Å
529R85.2Confident83.3Confident146 Ų14664.2 Ų64.255%0.55132%0.321SS*.  trans-71.1144.5164-75.1-169.6-175.4175.61.3109.9D531 A534R529-D531 VanDerWaalsContact C-N 3.3Å; R529-D531 PolarHBondContact O-N 3.15Å; R529-A534 PolarHBondContact N-O 2.83Å
530P73.5Confident85.1Confident106 Ų10663.1 Ų63.169%0.68832%0.315SS*.THydrogen-bonded Turntrans-59.4-37.3179.1-2534000114.1
531D71.6Confident86.4Confident165 Ų16556.2 Ų56.288%0.88230%0.297SS*.THydrogen-bonded Turntrans-110.817.9-168-56.8-39.5000114R529R529-D531 VanDerWaalsContact C-N 3.3Å; R529-D531 PolarHBondContact O-N 3.15Å
532G72.1Confident86.7Confident38 Ų3858.2 Ų58.239%0.39231%0.305SS..SBendtrans-173.3-179179.900000116A534G532-A534 PolarHBondContact O-N 3.07Å
533D81.1Confident86.4Confident106 Ų10656.1 Ų56.157%0.56730%0.298SS*.SBendtrans-83.65.6-174.8-59.9-33.8000113.4M464 E465M464-D533 CarbonylContact C-O 3.55Å; M464-D533 VanDerWaalsContact CA-O 3.25Å; M464-D533 WeakPolarHBondContact CA-O 3.46Å; M464-D533 WeakPolarHBondContact CB-O 3.43Å; M464-D533 WeakPolarHBondContact CE-O 3.49Å; E465-D533 PolarHBondContact N-O 3.31Å
534A87.9Confident85.7Confident17 Ų1759.2 Ų59.214%0.1432%0.318CS..PPolyproline II helixtrans-92.4157.6-177.700000113.2R529 G532R529-A534 PolarHBondContact N-O 2.83Å; G532-A534 PolarHBondContact O-N 3.07Å
535L90.4Very high84.9Confident8 Ų859.9 Ų59.94%0.04232%0.321CS..EExtended strand (participates in β ladder)trans-97.5141.4175.8-61.6171.6000111.3L449 A451 M464 F526 V537L449-L535 HydrophobicContact CD2-CD1 3.85Å; L449-L535 HydrophobicContact CG-CD1 4.02Å; A451-L535 HydrophobicContact CB-CD1 3.91Å; A451-L535 HydrophobicContact CB-CD2 4.05Å; M464-L535 HydrophobicContact CE-CD2 3.55Å; M464-L535 HydrophobicContact CE-CG 4.25Å; M464-L535 HydrophobicContact SD-CD2 3.65Å; F526-L535 HydrophobicContact CD2-CD2 4.16Å; L535-V537 HydrophobicContact CB-CG2 4.2Å
536F91.1Very high83.2Confident91 Ų9166.6 Ų66.640%0.39936%0.357SS..EExtended strand (participates in β ladder)trans-96.8124.1161.8-174.4-114.9000108.3W493 F526 R527W493-F536 AromaticContact CH2-CD1 3.2Å; W493-F536 HydrophobicContact CH2-CD1 3.2Å; W493-F536 AromaticContact CH2-CE1 3.42Å; W493-F536 HydrophobicContact CH2-CE1 3.42Å; W493-F536 VanDerWaalsContact CH2-CE1 3.42Å; W493-F536 HydrophobicContact CH2-CG 4.42Å; W493-F536 AromaticContact CZ2-CD1 3.92Å; W493-F536 HydrophobicContact CZ2-CD1 3.92Å; W493-F536 AromaticContact CZ2-CE1 3.97Å; W493-F536 HydrophobicContact CZ2-CE1 3.97Å; W493-F536 AromaticContact CZ3-CD1 3.95Å; W493-F536 HydrophobicContact CZ3-CD1 3.95Å; W493-F536 HydrophobicContact CZ3-CE1 4.48Å; F526-F536 CarbonylContact C-O 3.53Å; F526-F536 WeakPolarHBondContact CA-O 3.49Å; F526-F536 WeakPolarHBondContact CB-O 3.01Å; R527-F536 HydrophobicContact CG-CB 4.38Å; R527-F536 PolarHBondContact N-O 2.8Å; R527-F536 PolarHBondContact O-N 3.07Å
537V92.9Very high81.8Confident18 Ų1867.9 Ų67.911%0.10936%0.364CS..EExtended strand (participates in β ladder)trans-124.5136.3-175-174.80000109.4L449 Y467 L469 F524 R525 F526 L535L449-V537 HydrophobicContact CD2-CG2 4.18Å; Y467-V537 HydrophobicContact CD1-CB 4.08Å; Y467-V537 HydrophobicContact CD1-CG1 4.31Å; Y467-V537 HydrophobicContact CD1-CG2 3.61Å; Y467-V537 HydrophobicContact CD2-CB 4.44Å; Y467-V537 HydrophobicContact CD2-CG2 3.81Å; Y467-V537 HydrophobicContact CE1-CB 3.8Å; Y467-V537 HydrophobicContact CE1-CG1 4.01Å; Y467-V537 HydrophobicContact CE1-CG2 3.88Å; Y467-V537 HydrophobicContact CE2-CB 4.18Å; Y467-V537 HydrophobicContact CE2-CG2 4.06Å; Y467-V537 HydrophobicContact CG-CB 4.39Å; Y467-V537 HydrophobicContact CG-CG2 3.57Å; L469-V537 HydrophobicContact CD2-CG1 4.05Å; F524-V537 HydrophobicContact CD2-CG1 3.94Å; R525-V537 WeakPolarHBondContact O-CA 3.27Å; F526-V537 HydrophobicContact CB-CB 4.35Å; F526-V537 HydrophobicContact CB-CG1 4.42Å; F526-V537 HydrophobicContact CB-CG2 3.83Å; L535-V537 HydrophobicContact CB-CG2 4.2Å
538E93Very high80.6Confident55 Ų5564.8 Ų64.826%0.25735%0.352SS..EExtended strand (participates in β ladder)trans-133.5125.7179.6-174.9-175.6166.900110.2W493 F524 R525 L540 C591W493-E538 HydrophobicContact CH2-CB 4.34Å; F524-E538 VanDerWaalsContact CA-O 3.31Å; F524-E538 WeakPolarHBondContact CA-O 3.46Å; F524-E538 VanDerWaalsContact CB-O 3.32Å; F524-E538 WeakPolarHBondContact CB-O 3.41Å; R525-E538 HydrophobicContact CG-CB 4.06Å; R525-E538 IonicContact CZ-OE2 3.27Å; R525-E538 PolarHBondContact N-O 2.88Å; R525-E538 IonicContact NE-OE2 3.93Å; R525-E538 PolarHBondContact NE-OE2 3.28Å; R525-E538 VanDerWaalsContact NH2-CD 3.35Å; R525-E538 IonicContact NH2-OE1 3.08Å; R525-E538 PolarHBondContact NH2-OE1 3.32Å; R525-E538 IonicContact NH2-OE2 3.26Å; R525-E538 PolarHBondContact NH2-OE2 2.89Å; R525-E538 PolarHBondContact O-N 2.9Å; E538-L540 HydrophobicContact CG-CD2 4.13Å; E538-C591 PolarHBondContact OE1-SG 2.9Å
539N91.2Very high80Confident107 Ų10764.3 Ų64.357%0.57235%0.349SS*.EExtended strand (participates in β ladder)trans-76.7134.1171.2-70.3-32.4000109.8
540L91.3Very high79.7Confident15 Ų1559.5 Ų59.58%0.07933%0.331CS..  trans-111.5157-177.4-60.6-178.4000110.3Y495 F523 R525 E538 N542 F586Y495-L540 HydrophobicContact CD1-CD1 4.02Å; Y495-L540 HydrophobicContact CE1-CD1 3.74Å; F523-L540 HydrophobicContact CD1-CB 3.54Å; F523-L540 HydrophobicContact CD1-CD1 3.87Å; F523-L540 HydrophobicContact CD1-CG 4.35Å; F523-L540 HydrophobicContact CE1-CB 3.99Å; F523-L540 HydrophobicContact CE1-CD1 3.47Å; F523-L540 VanDerWaalsContact CE1-CD1 3.47Å; F523-L540 HydrophobicContact CE1-CG 4.4Å; F523-L540 HydrophobicContact CG-CB 4.28Å; F523-L540 HydrophobicContact CZ-CD1 3.93Å; F523-L540 PolarHBondContact O-N 2.94Å; R525-L540 HydrophobicContact CB-CD1 3.96Å; R525-L540 HydrophobicContact CG-CD1 3.85Å; R525-L540 HydrophobicContact CG-CD2 4.1Å; R525-L540 HydrophobicContact CG-CG 4.12Å; E538-L540 HydrophobicContact CG-CD2 4.13Å; L540-N542 PolarHBondContact O-N 3.36Å; L540-F586 HydrophobicContact CB-CZ 4.37Å; L540-F586 HydrophobicContact CD1-CE1 4.05Å; L540-F586 HydrophobicContact CD1-CZ 3.88Å; L540-F586 HydrophobicContact CD2-CZ 3.98Å; L540-F586 HydrophobicContact CG-CZ 4.3Å
541P87.9Confident80.3Confident60 Ų6055.8 Ų55.839%0.3930%0.303SS..PPolyproline II helixtrans-62.6137.7172.726.7-34000110.3F586 C591 W593P541-F586 HydrophobicContact CG-CE2 4.04Å; P541-C591 WeakPolarHBondContact CD-O 3.28Å; P541-C591 WeakPolarHBondContact CG-O 3.39Å; P541-W593 PolarHBondContact O-NE1 2.88Å
542N82.3Confident81.1Confident75 Ų7548 Ų4840%0.40126%0.261SS..PPolyproline II helixtrans-62.7148.2174.7-75.3-36.5000111S521 F523 L540 W593S521-N542 PolarHBondContact O-ND2 2.99Å; S521-N542 PolarHBondContact O-OD1 3Å; S521-N542 VanDerWaalsContact O-OD1 3.11Å; S521-N542 PolarHBondContact OG-OD1 2.84Å; F523-N542 PolarHBondContact N-OD1 2.84Å; L540-N542 PolarHBondContact O-N 3.36Å; N542-W593 PolarHBondContact O-NE1 3.26Å
543P77.9Confident81.9Confident25 Ų2546.2 Ų46.216%0.16224%0.243CC..PPolyproline II helixtrans-59.9145.1174.725.9-34.4000111F545 M549 W593P543-F545 HydrophobicContact CB-CD1 3.87Å; P543-F545 HydrophobicContact CB-CD2 3.98Å; P543-F545 HydrophobicContact CB-CE1 3.48Å; P543-F545 VanDerWaalsContact CB-CE1 3.48Å; P543-F545 HydrophobicContact CB-CE2 3.6Å; P543-F545 HydrophobicContact CB-CG 4.11Å; P543-F545 HydrophobicContact CB-CZ 3.34Å; P543-F545 HydrophobicContact CG-CD2 4.44Å; P543-F545 HydrophobicContact CG-CE2 4.07Å; P543-F545 HydrophobicContact CG-CZ 4.22Å; P543-F545 PolarHBondContact O-N 2.83Å; P543-M549 HydrophobicContact CB-CE 4.45Å; P543-M549 HydrophobicContact CG-CE 4.08Å; P543-W593 HydrophobicContact CB-CD2 4.42Å; P543-W593 HydrophobicContact CB-CH2 4.32Å; P543-W593 HydrophobicContact CB-CZ2 3.88Å
544P73.6Confident82.3Confident68 Ų6841.1 Ų41.144%0.44222%0.216SC..SBendtrans-72.1-2.7177.528.9-33.8000113.6Y584 W593P544-Y584 HydrophobicContact CB-CE1 4.32Å; P544-Y584 HydrophobicContact CG-CD1 3.56Å; P544-Y584 HydrophobicContact CG-CD2 4.11Å; P544-Y584 HydrophobicContact CG-CE1 3.46Å; P544-Y584 VanDerWaalsContact CG-CE1 3.46Å; P544-Y584 HydrophobicContact CG-CE2 4.03Å; P544-Y584 HydrophobicContact CG-CG 3.88Å; P544-W593 HydrophobicContact CG-CB 4.26Å
545F73.1Confident82.2Confident13 Ų1340.5 Ų40.56%0.05721%0.21CC..SBendtrans-110.3153-17950.7-96000112P543 I547 M549 P571 A581 Y584 W593P543-F545 HydrophobicContact CB-CD1 3.87Å; P543-F545 HydrophobicContact CB-CD2 3.98Å; P543-F545 HydrophobicContact CB-CE1 3.48Å; P543-F545 VanDerWaalsContact CB-CE1 3.48Å; P543-F545 HydrophobicContact CB-CE2 3.6Å; P543-F545 HydrophobicContact CB-CG 4.11Å; P543-F545 HydrophobicContact CB-CZ 3.34Å; P543-F545 HydrophobicContact CG-CD2 4.44Å; P543-F545 HydrophobicContact CG-CE2 4.07Å; P543-F545 HydrophobicContact CG-CZ 4.22Å; P543-F545 PolarHBondContact O-N 2.83Å; F545-I547 VanDerWaalsContact C-N 3.26Å; F545-I547 HydrophobicContact CD2-CB 4.32Å; F545-I547 WeakPolarHBondContact CE2-O 3.5Å; F545-I547 PolarHBondContact O-N 2.88Å; F545-M549 HydrophobicContact CE2-CG 3.86Å; F545-M549 HydrophobicContact CE2-SD 4.23Å; F545-M549 HydrophobicContact CZ-CG 4.01Å; F545-M549 HydrophobicContact CZ-SD 3.8Å; F545-P571 HydrophobicContact CZ-CB 4.39Å; F545-P571 HydrophobicContact CZ-CG 4.04Å; F545-A581 HydrophobicContact CB-CB 3.82Å; F545-A581 HydrophobicContact CD1-CB 4.03Å; F545-A581 HydrophobicContact CD2-CB 3.7Å; F545-A581 HydrophobicContact CE2-CB 4.26Å; F545-A581 HydrophobicContact CG-CB 3.57Å; F545-Y584 HydrophobicContact CD1-CD2 4.15Å; F545-Y584 HydrophobicContact CD1-CG 4.44Å; F545-W593 HydrophobicContact CE1-CE3 4.2Å; F545-W593 HydrophobicContact CE1-CH2 4.48Å; F545-W593 AromaticContact CE1-CZ3 4Å; F545-W593 HydrophobicContact CE1-CZ3 4Å; F545-W593 HydrophobicContact CZ-CH2 4.25Å; F545-W593 HydrophobicContact CZ-CZ3 4.14Å
546L58.4Low81.8Confident161 Ų16142 Ų4284%0.84322%0.221SC*.SBendtrans-78.50.3-171.5-72169.7000114.8
547I63.5Low81.1Confident32 Ų3238.2 Ų38.216%0.16421%0.206CC..SBendtrans-99.9139-171.6-59.5-161.6000112.7F545 M549 T574 C575 D578F545-I547 VanDerWaalsContact C-N 3.26Å; F545-I547 HydrophobicContact CD2-CB 4.32Å; F545-I547 WeakPolarHBondContact CE2-O 3.5Å; F545-I547 PolarHBondContact O-N 2.88Å; I547-M549 PolarHBondContact O-N 2.99Å; I547-T574 HydrophobicContact CG2-CG2 4.35Å; I547-C575 HydrophobicContact CD1-CB 3.63Å; I547-D578 HydrophobicContact CD1-CB 3.37Å; I547-D578 HydrophobicContact CG1-CB 4.04Å
548R67.2Low79.8Confident33 Ų3341.9 Ų41.913%0.12523%0.232CC..PPolyproline II helixtrans-67.6126.8173.2-60.1170-169.9-120.5-3.6110.9F421 E499 Y550F421-R548 VanDerWaalsContact CG-CZ 3.47Å; E499-R548 VanDerWaalsContact CD-CZ 3.43Å; E499-R548 IonicContact OE1-CZ 3.58Å; E499-R548 IonicContact OE1-NE 3.59Å; E499-R548 PolarHBondContact OE1-NE 2.95Å; E499-R548 IonicContact OE1-NH1 2.71Å; E499-R548 PolarHBondContact OE1-NH1 2.76Å; E499-R548 IonicContact OE1-NH2 3.83Å; E499-R548 IonicContact OE2-CZ 3.36Å; E499-R548 IonicContact OE2-NE 3.08Å; E499-R548 IonicContact OE2-NH1 2.98Å; E499-R548 PolarHBondContact OE2-NH1 2.77Å; E499-R548 IonicContact OE2-NH2 3.42Å; E499-R548 PolarHBondContact OE2-NH2 3.33Å; R548-Y550 HydrophobicContact CB-CE1 4.23Å; R548-Y550 HydrophobicContact CB-CE2 3.89Å; R548-Y550 WeakPolarHBondContact CD-OH 3.33Å; R548-Y550 WeakPolarHBondContact O-CD2 3.22Å; R548-Y550 WeakPolarHBondContact O-CE2 3.34Å
549M75.3Confident77.9Confident12 Ų1243.4 Ų43.46%0.05924%0.241CC..PPolyproline II helixtrans-84.8134.5171.2-57.1179.1-69.900109.4F523 P543 F545 I547 L552 P571 W593F523-M549 HydrophobicContact CD1-CE 4.4Å; F523-M549 HydrophobicContact CD2-CE 4.01Å; F523-M549 HydrophobicContact CE1-CE 4.32Å; F523-M549 HydrophobicContact CE2-CE 3.93Å; F523-M549 HydrophobicContact CG-CE 4.25Å; F523-M549 HydrophobicContact CZ-CE 4.08Å; P543-M549 HydrophobicContact CB-CE 4.45Å; P543-M549 HydrophobicContact CG-CE 4.08Å; F545-M549 HydrophobicContact CE2-CG 3.86Å; F545-M549 HydrophobicContact CE2-SD 4.23Å; F545-M549 HydrophobicContact CZ-CG 4.01Å; F545-M549 HydrophobicContact CZ-SD 3.8Å; I547-M549 PolarHBondContact O-N 2.99Å; M549-L552 HydrophobicContact SD-CD2 4.32Å; M549-P571 HydrophobicContact CG-CB 3.87Å; M549-P571 HydrophobicContact SD-CB 3.97Å; M549-W593 HydrophobicContact CE-CH2 3.81Å; M549-W593 HydrophobicContact CE-CZ2 3.74Å; M549-W593 HydrophobicContact SD-CH2 3.35Å; M549-W593 WeakPolarHBondContact SD-CH2 3.46Å; M549-W593 HydrophobicContact SD-CZ2 3.93Å; M549-W593 HydrophobicContact SD-CZ3 4.3Å
550Y78.8Confident75.7Confident44 Ų4448.1 Ų48.117%0.17326%0.26CS..  trans-121.4-25.6177.6-59.7-73.5000112.5R422 T480 E483 R548R422-Y550 HydrophobicContact CB-CE1 4.35Å; T480-Y550 HydrophobicContact CG2-CD1 3.62Å; T480-Y550 HydrophobicContact CG2-CE1 3.68Å; E483-Y550 PolarHBondContact N-O 3.49Å; R548-Y550 HydrophobicContact CB-CE1 4.23Å; R548-Y550 HydrophobicContact CB-CE2 3.89Å; R548-Y550 WeakPolarHBondContact CD-OH 3.33Å; R548-Y550 WeakPolarHBondContact O-CD2 3.22Å; R548-Y550 WeakPolarHBondContact O-CE2 3.34Å
551R85.4Confident73.5Confident29 Ų2950.8 Ų50.811%0.10929%0.291CS..EExtended strand (participates in β ladder)trans-134.4142.6179.1-60.4-170.5170.2165.3-2.9110.4E483 L485 M572E483-R551 HydrophobicContact CB-CG 4.22Å; E483-R551 CarbonylContact O-C 3.58Å; E483-R551 WeakPolarHBondContact O-CA 3.22Å; E483-R551 IonicContact OE2-CZ 3.41Å; E483-R551 IonicContact OE2-NE 3.61Å; E483-R551 PolarHBondContact OE2-NE 2.91Å; E483-R551 IonicContact OE2-NH2 3.94Å; E483-R551 PolarHBondContact OE2-NH2 2.92Å; L485-R551 HydrophobicContact CD2-CB 4.43Å; L485-R551 HydrophobicContact CG-CB 4.45Å; R551-M572 HydrophobicContact CB-CB 3.93Å; R551-M572 PolarHBondContact O-N 2.77Å
552L89.1Confident71.3Confident1 Ų153.3 Ų53.31%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-121.7134.4174.7-66.5169.2000109.9I482 E483 L485 Y495 M549 L569 F570I482-L552 HydrophobicContact CG2-CB 4.43Å; I482-L552 HydrophobicContact CG2-CD1 3.55Å; I482-L552 HydrophobicContact CG2-CG 3.52Å; E483-L552 PolarHBondContact O-N 3.42Å; L485-L552 PolarHBondContact N-O 2.71Å; Y495-L552 HydrophobicContact CD1-CD1 4.36Å; Y495-L552 HydrophobicContact CD2-CD1 3.97Å; Y495-L552 HydrophobicContact CG-CD1 3.8Å; M549-L552 HydrophobicContact SD-CD2 4.32Å; L552-L569 HydrophobicContact CD1-CD1 4.15Å; L552-L569 HydrophobicContact CD2-CB 4.2Å; L552-F570 WeakPolarHBondContact CA-O 3.44Å
553L89.1Confident69.6Low0 Ų060.6 Ų60.60%033%0.33CS..EExtended strand (participates in β ladder)trans-98.2123.2162.6172.263.3000108.5L485 I555 L569 F570 M572 L624 A637 T693 L695 P716L485-L553 HydrophobicContact CD1-CB 4.17Å; L553-I555 HydrophobicContact CD2-CD1 4.17Å; L553-I555 HydrophobicContact CD2-CG1 4.14Å; L553-I555 HydrophobicContact CG-CG1 4.15Å; L553-L569 CarbonylContact O-C 2.85Å; L553-L569 WeakPolarHBondContact O-CA 3.25Å; L553-F570 HydrophobicContact CB-CB 4.3Å; L553-F570 PolarHBondContact N-O 3.4Å; L553-F570 PolarHBondContact O-N 3.26Å; L553-M572 HydrophobicContact CB-CE 3.95Å; L553-M572 HydrophobicContact CB-CG 3.96Å; L553-M572 HydrophobicContact CD2-CE 3.72Å; L553-M572 HydrophobicContact CG-CE 4.37Å; L553-L624 HydrophobicContact CD2-CD1 4.45Å; L553-L624 HydrophobicContact CD2-CD2 4.45Å; L553-A637 HydrophobicContact CD1-CB 4.06Å; L553-T693 HydrophobicContact CD1-CG2 4.37Å; L553-L695 HydrophobicContact CD1-CD2 3.63Å; L553-L695 HydrophobicContact CD1-CG 4.44Å; L553-L695 HydrophobicContact CD2-CD1 3.76Å; L553-L695 HydrophobicContact CD2-CD2 4Å; L553-L695 HydrophobicContact CD2-CG 4.24Å; L553-L695 HydrophobicContact CG-CD2 4.4Å; L553-P716 HydrophobicContact CD2-CB 4.37Å; L553-P716 HydrophobicContact CD2-CG 4.32Å
554A88.9Confident68.5Low0 Ų061.8 Ų61.80%034%0.339CS..EExtended strand (participates in β ladder)trans-93.8129.5171.300000111.1N486 P490 T567 Y568 L569N486-A554 PolarHBondContact ND2-O 2.94Å; N486-A554 PolarHBondContact OD1-N 3.47Å; P490-A554 HydrophobicContact CG-CB 3.42Å; P490-A554 VanDerWaalsContact CG-CB 3.42Å; A554-T567 HydrophobicContact CB-CG2 4.05Å; A554-Y568 WeakPolarHBondContact CA-O 3.5Å; A554-L569 HydrophobicContact CB-CD2 3.59Å
555I86.3Confident68.2Low3 Ų362 Ų622%0.01534%0.337CS..EExtended strand (participates in β ladder)trans-118.7115.4173.1-56.9177.2000108.6L553 T567 Y568 F570 F622 L624 P716L553-I555 HydrophobicContact CD2-CD1 4.17Å; L553-I555 HydrophobicContact CD2-CG1 4.14Å; L553-I555 HydrophobicContact CG-CG1 4.15Å; I555-T567 WeakPolarHBondContact O-CA 3.33Å; I555-Y568 PolarHBondContact N-O 3.25Å; I555-Y568 PolarHBondContact O-N 3.47Å; I555-F570 HydrophobicContact CB-CE2 4.24Å; I555-F570 HydrophobicContact CD1-CD2 3.76Å; I555-F570 HydrophobicContact CD1-CE2 3.52Å; I555-F570 HydrophobicContact CD1-CZ 4.17Å; I555-F570 HydrophobicContact CG1-CD2 4.08Å; I555-F570 HydrophobicContact CG1-CE2 4.02Å; I555-F622 HydrophobicContact CD1-CD1 4.12Å; I555-F622 HydrophobicContact CD1-CE1 4.36Å; I555-F622 HydrophobicContact CG2-CE1 4.1Å; I555-L624 HydrophobicContact CD1-CD1 3.53Å; I555-L624 HydrophobicContact CD1-CG 4.25Å; I555-P716 HydrophobicContact CD1-CB 3.56Å; I555-P716 HydrophobicContact CD1-CG 4.42Å; I555-P716 HydrophobicContact CG1-CB 4.07Å; I555-P716 HydrophobicContact CG1-CG 4.42Å
556S81.6Confident68.6Low41 Ų4164.3 Ų64.329%0.28735%0.346SS..EExtended strand (participates in β ladder)trans-87.2127.5172.3-51.20000109.7P490 K566P490-S556 WeakPolarHBondContact CB-OG 3.25Å; S556-K566 CarbonylContact C-O 3.48Å; S556-K566 WeakPolarHBondContact CA-O 3.48Å
557C75.8Confident70Confident10 Ų1057.1 Ų57.17%0.06831%0.309CS..EExtended strand (participates in β ladder)trans-116116.2-178.8-58.60000109.4L559 K566 Y568 A718C557-L559 PolarHBondContact O-N 2.94Å; C557-K566 PolarHBondContact N-O 2.99Å; C557-K566 PolarHBondContact O-N 3.22Å; C557-Y568 HydrophobicContact CB-CD2 4.45Å; C557-Y568 HydrophobicContact CB-CE2 4.16Å; C557-A718 HydrophobicContact CB-CB 4.28Å; C557-A718 VanDerWaalsContact SG-CB 3.58Å
558S66.4Low71.2Confident95 Ų9555.9 Ų55.966%0.66430%0.302SS*.  trans-9095.6166.353.30000108.6Q560 D565S558-Q560 PolarHBondContact O-N 3.42Å; S558-D565 WeakPolarHBondContact CB-OD1 3.2Å
559L53.1Low72.4Confident87 Ų8754.3 Ų54.346%0.45530%0.297SS..  trans-69.2125.4169.2-76.8159.9000107.9C557 G561 N562C557-L559 PolarHBondContact O-N 2.94Å; L559-G561 PolarHBondContact O-N 3.2Å; L559-N562 PolarHBondContact O-N 3.31Å
560Q43.9Very low73Confident207 Ų20753.7 Ų53.797%0.96729%0.294SS*.THydrogen-bonded Turntrans-51.1105.2174.6-75.2-179.1-8.200109.5S558S558-Q560 PolarHBondContact O-N 3.42Å
561G45.8Very low73.4Confident71 Ų7151.6 Ų51.673%0.73229%0.285SS*.THydrogen-bonded Turntrans121.1-17.1171.600000117.2L559L559-G561 PolarHBondContact O-N 3.2Å
562N42Very low73.3Confident112 Ų11250.6 Ų50.660%0.59928%0.282SS*.  trans-108.2128175.7-78.2-14.9000111.1L559 S564L559-N562 PolarHBondContact O-N 3.31Å; N562-S564 PolarHBondContact O-N 3.4Å
563F45.8Very low72.5Confident228 Ų22852.2 Ų52.2100%130%0.299SS*.SBendtrans-65.2-0.6179.9-71.8-81.8000115
564S54.8Low71.2Confident51 Ų5152.4 Ų52.436%0.35730%0.3SS..SBendtrans-109.4106.217860.50000110.3N562 K566N562-S564 PolarHBondContact O-N 3.4Å; S564-K566 PolarHBondContact O-N 3.31Å
565D67.5Low69.7Low73 Ų7354 Ų5439%0.3931%0.311SS..  trans-56.7121.4163.6-67.3-27.8000108.3S558 N687S558-D565 WeakPolarHBondContact CB-OD1 3.2Å; D565-N687 PolarHBondContact OD2-ND2 3.11Å
566K81.6Confident68Low60 Ų6055 Ų5526%0.26132%0.319SS..EExtended strand (participates in β ladder)trans-88134.6173.6-71.1-168.4177.2-169.90109.2S556 C557 S564 Y568S556-K566 CarbonylContact C-O 3.48Å; S556-K566 WeakPolarHBondContact CA-O 3.48Å; C557-K566 PolarHBondContact N-O 2.99Å; C557-K566 PolarHBondContact O-N 3.22Å; S564-K566 PolarHBondContact O-N 3.31Å; K566-Y568 HydrophobicContact CB-CE2 3.81Å; K566-Y568 VanDerWaalsContact CD-OH 3.27Å; K566-Y568 WeakPolarHBondContact CD-OH 3.05Å
567T87.6Confident66.6Low10 Ų1062.5 Ų62.56%0.06134%0.34CS..EExtended strand (participates in β ladder)trans-108.8129175.1-59.90000109.7P490 A554 I555 L569 T588P490-T567 HydrophobicContact CG-CG2 3.81Å; A554-T567 HydrophobicContact CB-CG2 4.05Å; I555-T567 WeakPolarHBondContact O-CA 3.33Å; T567-L569 HydrophobicContact CG2-CD2 4.07Å; T567-T588 WeakPolarHBondContact CB-OG1 2.78Å; T567-T588 HydrophobicContact CG2-CG2 4.07Å; T567-T588 WeakPolarHBondContact O-CG2 3.05Å; T567-T588 PolarHBondContact O-N 3.42Å; T567-T588 PolarHBondContact O-OG1 2.83Å
568Y90Very high65.9Low6 Ų663.6 Ų63.62%0.02435%0.345CS..EExtended strand (participates in β ladder)trans-114131.5176.2-61.1-80.6000109.9A554 I555 C557 K566 F586 D587 L594 L620 F622A554-Y568 WeakPolarHBondContact CA-O 3.5Å; I555-Y568 PolarHBondContact N-O 3.25Å; I555-Y568 PolarHBondContact O-N 3.47Å; C557-Y568 HydrophobicContact CB-CD2 4.45Å; C557-Y568 HydrophobicContact CB-CE2 4.16Å; K566-Y568 HydrophobicContact CB-CE2 3.81Å; K566-Y568 VanDerWaalsContact CD-OH 3.27Å; K566-Y568 WeakPolarHBondContact CD-OH 3.05Å; Y568-F586 CarbonylContact C-O 3.57Å; Y568-F586 WeakPolarHBondContact CA-O 3.48Å; Y568-D587 HydrophobicContact CD1-CB 4.04Å; Y568-D587 HydrophobicContact CE1-CB 3.9Å; Y568-L594 HydrophobicContact CE1-CD1 4.14Å; Y568-L620 HydrophobicContact CD1-CD1 3.97Å; Y568-L620 HydrophobicContact CE1-CD1 3.46Å; Y568-L620 VanDerWaalsContact CE1-CD1 3.46Å; Y568-L620 HydrophobicContact CE1-CD2 4.41Å; Y568-F622 HydrophobicContact CD2-CE1 4.37Å; Y568-F622 AromaticContact CD2-CZ 3.71Å; Y568-F622 HydrophobicContact CD2-CZ 3.71Å; Y568-F622 HydrophobicContact CE2-CZ 4.2Å; Y568-F622 HydrophobicContact CG-CZ 4.01Å
569L91.1Very high65.9Low0 Ų061.6 Ų61.60%033%0.327CS..EExtended strand (participates in β ladder)trans-103123.7178.7-47.6177.8000110.4Y495 L552 L553 A554 T567 C585 F586 T588Y495-L569 HydrophobicContact CD1-CD1 4.37Å; Y495-L569 HydrophobicContact CD2-CD1 4.31Å; Y495-L569 HydrophobicContact CE1-CD1 3.68Å; Y495-L569 HydrophobicContact CE2-CD1 3.64Å; Y495-L569 WeakPolarHBondContact OH-CD1 3.43Å; L552-L569 HydrophobicContact CD1-CD1 4.15Å; L552-L569 HydrophobicContact CD2-CB 4.2Å; L553-L569 CarbonylContact O-C 2.85Å; L553-L569 WeakPolarHBondContact O-CA 3.25Å; A554-L569 HydrophobicContact CB-CD2 3.59Å; T567-L569 HydrophobicContact CG2-CD2 4.07Å; L569-C585 CarbonylContact O-C 3.53Å; L569-C585 WeakPolarHBondContact O-CA 3.25Å; L569-F586 HydrophobicContact CB-CB 4.23Å; L569-F586 HydrophobicContact CD1-CD1 3.91Å; L569-F586 HydrophobicContact CG-CD1 4.41Å; L569-F586 PolarHBondContact N-O 2.75Å; L569-F586 PolarHBondContact O-N 2.93Å; L569-T588 HydrophobicContact CD1-CG2 3.8Å; L569-T588 HydrophobicContact CD2-CG2 3.98Å; L569-T588 HydrophobicContact CG-CG2 3.65Å
570F89.6Confident66.7Low0 Ų061.8 Ų61.80%033%0.326CS..EExtended strand (participates in β ladder)trans-106.2125.9179.8-67.6-100.4000109.9L552 L553 I555 M572 C585 W596 F622 L624 L629L552-F570 WeakPolarHBondContact CA-O 3.44Å; L553-F570 HydrophobicContact CB-CB 4.3Å; L553-F570 PolarHBondContact N-O 3.4Å; L553-F570 PolarHBondContact O-N 3.26Å; I555-F570 HydrophobicContact CB-CE2 4.24Å; I555-F570 HydrophobicContact CD1-CD2 3.76Å; I555-F570 HydrophobicContact CD1-CE2 3.52Å; I555-F570 HydrophobicContact CD1-CZ 4.17Å; I555-F570 HydrophobicContact CG1-CD2 4.08Å; I555-F570 HydrophobicContact CG1-CE2 4.02Å; F570-M572 PolarHBondContact O-N 3.27Å; F570-C585 HydrophobicContact CD1-CB 3.93Å; F570-C585 HydrophobicContact CD2-CB 4.32Å; F570-C585 HydrophobicContact CE1-CB 3.66Å; F570-C585 HydrophobicContact CE2-CB 4.04Å; F570-C585 HydrophobicContact CG-CB 4.25Å; F570-C585 HydrophobicContact CZ-CB 3.71Å; F570-W596 HydrophobicContact CD1-CD2 4.49Å; F570-W596 AromaticContact CD1-CE2 3.85Å; F570-W596 HydrophobicContact CD1-CZ2 4.11Å; F570-W596 AromaticContact CD1-NE1 3.71Å; F570-W596 AromaticContact CE1-CD1 3.73Å; F570-W596 AromaticContact CE1-CD2 3.71Å; F570-W596 HydrophobicContact CE1-CD2 3.71Å; F570-W596 AromaticContact CE1-CE2 3.52Å; F570-W596 HydrophobicContact CE1-CE3 4.36Å; F570-W596 AromaticContact CE1-CG 3.88Å; F570-W596 HydrophobicContact CE1-CG 3.88Å; F570-W596 HydrophobicContact CE1-CZ2 4.06Å; F570-W596 AromaticContact CE1-NE1 3.5Å; F570-F622 HydrophobicContact CE1-CD2 4.21Å; F570-F622 HydrophobicContact CE1-CE2 4.45Å; F570-F622 HydrophobicContact CE1-CG 4.46Å; F570-F622 HydrophobicContact CE2-CE1 4.24Å; F570-F622 HydrophobicContact CE2-CE2 4.49Å; F570-F622 HydrophobicContact CE2-CZ 4.24Å; F570-F622 HydrophobicContact CZ-CD1 4.01Å; F570-F622 AromaticContact CZ-CD2 3.67Å; F570-F622 HydrophobicContact CZ-CD2 3.67Å; F570-F622 AromaticContact CZ-CE1 3.97Å; F570-F622 HydrophobicContact CZ-CE1 3.97Å; F570-F622 AromaticContact CZ-CE2 3.6Å; F570-F622 HydrophobicContact CZ-CE2 3.6Å; F570-F622 AromaticContact CZ-CG 3.88Å; F570-F622 HydrophobicContact CZ-CG 3.88Å; F570-F622 AromaticContact CZ-CZ 3.78Å; F570-F622 HydrophobicContact CZ-CZ 3.78Å; F570-L624 HydrophobicContact CD1-CD1 3.66Å; F570-L624 HydrophobicContact CD2-CD1 4.18Å; F570-L624 HydrophobicContact CE1-CD1 3.76Å; F570-L624 HydrophobicContact CE2-CD1 4.31Å; F570-L624 HydrophobicContact CG-CD1 3.88Å; F570-L624 HydrophobicContact CZ-CD1 4.09Å; F570-L629 HydrophobicContact CB-CD2 4.22Å
571P86.3Confident68Low0 Ų052 Ų520%028%0.28CS..EExtended strand (participates in β ladder)trans-68.9125.8174.330.5-34.6000110.2F545 M549 T574 Y584F545-P571 HydrophobicContact CZ-CB 4.39Å; F545-P571 HydrophobicContact CZ-CG 4.04Å; M549-P571 HydrophobicContact CG-CB 3.87Å; M549-P571 HydrophobicContact SD-CB 3.97Å; P571-T574 HydrophobicContact CB-CG2 3.77Å; P571-T574 HydrophobicContact CG-CG2 4.34Å; P571-Y584 WeakPolarHBondContact CD-O 3.49Å
572M82.4Confident69.5Low7 Ų748.8 Ų48.83%0.03425%0.246CC..EExtended strand (participates in β ladder)trans-110.7143-177.1-82.3-84.8-14600111.3L485 R551 L553 F570 T574 V628 L629 V635 L695L485-M572 HydrophobicContact CD1-CB 3.95Å; L485-M572 HydrophobicContact CD1-CE 3.71Å; L485-M572 HydrophobicContact CD1-CG 3.57Å; L485-M572 HydrophobicContact CD1-SD 4.13Å; R551-M572 HydrophobicContact CB-CB 3.93Å; R551-M572 PolarHBondContact O-N 2.77Å; L553-M572 HydrophobicContact CB-CE 3.95Å; L553-M572 HydrophobicContact CB-CG 3.96Å; L553-M572 HydrophobicContact CD2-CE 3.72Å; L553-M572 HydrophobicContact CG-CE 4.37Å; F570-M572 PolarHBondContact O-N 3.27Å; M572-T574 PolarHBondContact O-N 3.44Å; M572-V628 HydrophobicContact CE-CG1 4.49Å; M572-L629 HydrophobicContact CE-CD2 4.09Å; M572-L629 HydrophobicContact CG-CD2 4.25Å; M572-L629 HydrophobicContact SD-CD2 3.66Å; M572-V635 HydrophobicContact CE-CG1 4.32Å; M572-L695 HydrophobicContact CE-CD1 4Å; M572-L695 HydrophobicContact CE-CD2 4.07Å
573G73.4Confident71.4Confident35 Ų3545 Ų4536%0.36123%0.225SC..SBendtrans66.718.2-179.400000114L629G573-L629 PolarHBondContact N-O 3.3Å
574T62.2Low73.3Confident4 Ų435 Ų353%0.02518%0.181CC..  trans-55.1148.3166.348.80000108.7I547 P571 M572 S576I547-T574 HydrophobicContact CG2-CG2 4.35Å; P571-T574 HydrophobicContact CB-CG2 3.77Å; P571-T574 HydrophobicContact CG-CG2 4.34Å; M572-T574 PolarHBondContact O-N 3.44Å; T574-S576 PolarHBondContact O-N 2.83Å
575C56.1Low74.9Confident33 Ų3332.6 Ų32.622%0.22316%0.164CC..  trans-57.6120.2178-165.10000107.5I547 R577 D578I547-C575 HydrophobicContact CD1-CB 3.63Å; C575-R577 HydrophobicContact CB-CB 4.45Å; C575-R577 PolarHBondContact O-N 3.35Å; C575-R577 VanDerWaalsContact SG-CD 3.58Å; C575-R577 VanDerWaalsContact SG-CG 3.51Å; C575-D578 PolarHBondContact O-N 3.49Å
576S50.8Low76.1Confident26 Ų2629.2 Ų29.218%0.18215%0.145CC..THydrogen-bonded Turntrans-55.5-2.1174.946.40000114.5T574 D702 Q703T574-S576 PolarHBondContact O-N 2.83Å; S576-D702 WeakPolarHBondContact CB-OD2 3.48Å; S576-D702 PolarHBondContact OG-OD2 2.85Å; S576-Q703 PolarHBondContact O-NE2 3.34Å; S576-Q703 VanDerWaalsContact O-NE2 3.15Å
577R52.4Low76.5Confident198 Ų19826.6 Ų26.675%0.74713%0.134SC*.THydrogen-bonded Turntrans-73.6-24.9170.4-66.1-178.9-178.6177.9-3.3113.6C575C575-R577 HydrophobicContact CB-CB 4.45Å; C575-R577 PolarHBondContact O-N 3.35Å; C575-R577 VanDerWaalsContact SG-CD 3.58Å; C575-R577 VanDerWaalsContact SG-CG 3.51Å
578D61.7Low76.6Confident32 Ų3227 Ų2717%0.17114%0.137CC..  trans-105.985.4176.2-167.5-12.6000109.4I547 C575 E580 A581I547-D578 HydrophobicContact CD1-CB 3.37Å; I547-D578 HydrophobicContact CG1-CB 4.04Å; C575-D578 PolarHBondContact O-N 3.49Å; D578-E580 PolarHBondContact O-N 3Å; D578-E580 WeakPolarHBondContact OD1-CA 3.29Å; D578-E580 VanDerWaalsContact OD1-CB 3.32Å; D578-E580 WeakPolarHBondContact OD1-CB 3.19Å; D578-E580 PolarHBondContact OD1-N 3.14Å; D578-A581 HydrophobicContact CB-CB 4.06Å; D578-A581 PolarHBondContact O-N 3.31Å; D578-A581 PolarHBondContact OD1-N 3.37Å; D578-A581 VanDerWaalsContact OD1-N 3.07Å
579L66.5Low76.4Confident53 Ų5334 Ų3428%0.27717%0.168SC..THydrogen-bonded Turntrans-56.9-34.1173.5-74.1162.7000110.6T582 H583L579-T582 PolarHBondContact O-N 2.77Å; L579-T582 VanDerWaalsContact O-N 3.14Å; L579-T582 PolarHBondContact O-OG1 3.13Å; L579-H583 PolarHBondContact O-CD2 3.08Å
580E70.2Confident76.3Confident92 Ų9236.3 Ų36.343%0.4318%0.184SC..THydrogen-bonded Turntrans-64.8-42.4-179.5177.4171.2-163.400111.6D578 T582 H583 Y584 R595D578-E580 PolarHBondContact O-N 3Å; D578-E580 WeakPolarHBondContact OD1-CA 3.29Å; D578-E580 VanDerWaalsContact OD1-CB 3.32Å; D578-E580 WeakPolarHBondContact OD1-CB 3.19Å; D578-E580 PolarHBondContact OD1-N 3.14Å; E580-T582 PolarHBondContact O-N 3.07Å; E580-T582 VanDerWaalsContact O-N 3.15Å; E580-H583 WeakPolarHBondContact O-CB 3.42Å; E580-H583 PolarHBondContact O-N 3.48Å; E580-Y584 HydrophobicContact CG-CD2 4.39Å; E580-Y584 HydrophobicContact CG-CE2 3.62Å; E580-Y584 VanDerWaalsContact O-CD2 3.28Å; E580-Y584 WeakPolarHBondContact O-CD2 3.4Å; E580-Y584 PolarHBondContact OE1-OH 3.22Å; E580-Y584 VanDerWaalsContact OE1-OH 3.1Å; E580-R595 IonicContact OE1-NH2 3.51Å
581A70.4Confident76.2Confident0 Ų037.6 Ų37.60%019%0.192CC..G310 helixtrans-57-30.9174.800000113F545 D578 H583 Y584F545-A581 HydrophobicContact CB-CB 3.82Å; F545-A581 HydrophobicContact CD1-CB 4.03Å; F545-A581 HydrophobicContact CD2-CB 3.7Å; F545-A581 HydrophobicContact CE2-CB 4.26Å; F545-A581 HydrophobicContact CG-CB 3.57Å; D578-A581 HydrophobicContact CB-CB 4.06Å; D578-A581 PolarHBondContact O-N 3.31Å; D578-A581 PolarHBondContact OD1-N 3.37Å; D578-A581 VanDerWaalsContact OD1-N 3.07Å; A581-H583 PolarHBondContact O-N 3.43Å; A581-Y584 PolarHBondContact O-N 3.46Å
582T76.5Confident76.4Confident5 Ų543 Ų433%0.03122%0.217CC..G310 helixtrans-73.7-5.9177.671.30000113.6L579 E580 W596L579-T582 PolarHBondContact O-N 2.77Å; L579-T582 VanDerWaalsContact O-N 3.14Å; L579-T582 PolarHBondContact O-OG1 3.13Å; E580-T582 PolarHBondContact O-N 3.07Å; E580-T582 VanDerWaalsContact O-N 3.15Å; T582-W596 VanDerWaalsContact O-CE2 3.22Å; T582-W596 WeakPolarHBondContact O-CZ2 3.46Å; T582-W596 PolarHBondContact O-NE1 2.62Å
583H81.8Confident76.6Confident33 Ų3344.2 Ų44.215%0.15322%0.222CC..G310 helixtrans-104.44.9178.8-67.6-66000114.2L579 E580 A581 R595 W596L579-H583 PolarHBondContact O-CD2 3.08Å; E580-H583 WeakPolarHBondContact O-CB 3.42Å; E580-H583 PolarHBondContact O-N 3.48Å; A581-H583 PolarHBondContact O-N 3.43Å; H583-R595 CarbonylContact O-C 3.54Å; H583-R595 VanDerWaalsContact O-CA 3.32Å; H583-R595 WeakPolarHBondContact O-CA 3.48Å; H583-W596 VanDerWaalsContact C-NE1 3.35Å; H583-W596 PolarHBondContact O-N 3.1Å
584Y86.6Confident77.4Confident18 Ų1844.2 Ų44.27%0.07121%0.213CC..EExtended strand (participates in β ladder)trans-110.2146.4174.8-68.5-92.1000112.1P544 F545 P571 E580 A581 W593 L594 R595 W596P544-Y584 HydrophobicContact CB-CE1 4.32Å; P544-Y584 HydrophobicContact CG-CD1 3.56Å; P544-Y584 HydrophobicContact CG-CD2 4.11Å; P544-Y584 HydrophobicContact CG-CE1 3.46Å; P544-Y584 VanDerWaalsContact CG-CE1 3.46Å; P544-Y584 HydrophobicContact CG-CE2 4.03Å; P544-Y584 HydrophobicContact CG-CG 3.88Å; F545-Y584 HydrophobicContact CD1-CD2 4.15Å; F545-Y584 HydrophobicContact CD1-CG 4.44Å; P571-Y584 WeakPolarHBondContact CD-O 3.49Å; E580-Y584 HydrophobicContact CG-CD2 4.39Å; E580-Y584 HydrophobicContact CG-CE2 3.62Å; E580-Y584 VanDerWaalsContact O-CD2 3.28Å; E580-Y584 WeakPolarHBondContact O-CD2 3.4Å; E580-Y584 PolarHBondContact OE1-OH 3.22Å; E580-Y584 VanDerWaalsContact OE1-OH 3.1Å; A581-Y584 PolarHBondContact O-N 3.46Å; Y584-W593 HydrophobicContact CD1-CB 4.46Å; Y584-L594 CarbonylContact C-O 3.53Å; Y584-L594 VanDerWaalsContact CA-O 3.28Å; Y584-L594 WeakPolarHBondContact CA-O 3.41Å; Y584-R595 HydrophobicContact CD1-CG 3.86Å; Y584-R595 HydrophobicContact CE1-CG 3.4Å; Y584-R595 PolarHBondContact OH-NE 2.96Å; Y584-R595 PolarHBondContact OH-NH2 2.94Å; Y584-W596 VanDerWaalsContact C-CD1 3.46Å; Y584-W596 PolarHBondContact O-NE1 3.18Å
585C89.1Confident78.6Confident0 Ų048.1 Ų48.10%023%0.228CC..EExtended strand (participates in β ladder)trans-132.5153.3166.762.20000109.4L569 F570 L594L569-C585 CarbonylContact O-C 3.53Å; L569-C585 WeakPolarHBondContact O-CA 3.25Å; F570-C585 HydrophobicContact CD1-CB 3.93Å; F570-C585 HydrophobicContact CD2-CB 4.32Å; F570-C585 HydrophobicContact CE1-CB 3.66Å; F570-C585 HydrophobicContact CE2-CB 4.04Å; F570-C585 HydrophobicContact CG-CB 4.25Å; F570-C585 HydrophobicContact CZ-CB 3.71Å; C585-L594 PolarHBondContact N-O 3.11Å; C585-L594 PolarHBondContact O-N 3.07Å
586F90.9Very high80.1Confident1 Ų146.8 Ų46.80%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-96.8122.2175.5-177.3-101.7000110.1L540 P541 Y568 L569 T588 C591 W593L540-F586 HydrophobicContact CB-CZ 4.37Å; L540-F586 HydrophobicContact CD1-CE1 4.05Å; L540-F586 HydrophobicContact CD1-CZ 3.88Å; L540-F586 HydrophobicContact CD2-CZ 3.98Å; L540-F586 HydrophobicContact CG-CZ 4.3Å; P541-F586 HydrophobicContact CG-CE2 4.04Å; Y568-F586 CarbonylContact C-O 3.57Å; Y568-F586 WeakPolarHBondContact CA-O 3.48Å; L569-F586 HydrophobicContact CB-CB 4.23Å; L569-F586 HydrophobicContact CD1-CD1 3.91Å; L569-F586 HydrophobicContact CG-CD1 4.41Å; L569-F586 PolarHBondContact N-O 2.75Å; L569-F586 PolarHBondContact O-N 2.93Å; F586-T588 HydrophobicContact CD1-CG2 4.36Å; F586-C591 HydrophobicContact CZ-CB 4.1Å; F586-W593 HydrophobicContact CB-CD2 4.21Å; F586-W593 HydrophobicContact CB-CE3 3.96Å; F586-W593 HydrophobicContact CB-CH2 3.78Å; F586-W593 HydrophobicContact CB-CZ2 4.05Å; F586-W593 HydrophobicContact CB-CZ3 3.76Å; F586-W593 HydrophobicContact CD2-CD2 4.02Å; F586-W593 AromaticContact CD2-CE2 3.73Å; F586-W593 HydrophobicContact CD2-CG 4.26Å; F586-W593 HydrophobicContact CD2-CZ2 4.06Å; F586-W593 AromaticContact CD2-NE1 3.8Å; F586-W593 HydrophobicContact CG-CZ2 4.35Å
587D90.9Very high81.7Confident5 Ų549.4 Ų49.43%0.02723%0.226CC..EExtended strand (participates in β ladder)trans-82.4115.6171.7176.2-0.7000109.3Y568 F589 S590 C591 Q592 L594Y568-D587 HydrophobicContact CD1-CB 4.04Å; Y568-D587 HydrophobicContact CE1-CB 3.9Å; D587-F589 VanDerWaalsContact C-N 3.26Å; D587-F589 PolarHBondContact O-N 3.24Å; D587-F589 WeakPolarHBondContact OD1-CB 3.48Å; D587-F589 PolarHBondContact OD1-N 3.18Å; D587-S590 VanDerWaalsContact CB-OG 3.3Å; D587-S590 WeakPolarHBondContact CB-OG 3.44Å; D587-S590 PolarHBondContact OD1-N 3.07Å; D587-S590 WeakPolarHBondContact OD2-CB 3.45Å; D587-S590 PolarHBondContact OD2-OG 3.13Å; D587-C591 VanDerWaalsContact O-CA 3.25Å; D587-C591 WeakPolarHBondContact O-CA 3.23Å; D587-C591 PolarHBondContact O-N 2.93Å; D587-Q592 PolarHBondContact N-O 3.5Å; D587-Q592 PolarHBondContact O-N 2.83Å; D587-L594 HydrophobicContact CB-CD1 3.76Å; D587-L594 HydrophobicContact CB-CG 4.33Å
588T89.7Confident83.1Confident18 Ų1840.5 Ų40.511%0.1119%0.194CC..THydrogen-bonded Turntrans-71.5-20.9-175.665.90000113.8R525 T567 L569 F586R525-T588 PolarHBondContact NH1-O 3.27Å; T567-T588 WeakPolarHBondContact CB-OG1 2.78Å; T567-T588 HydrophobicContact CG2-CG2 4.07Å; T567-T588 WeakPolarHBondContact O-CG2 3.05Å; T567-T588 PolarHBondContact O-N 3.42Å; T567-T588 PolarHBondContact O-OG1 2.83Å; L569-T588 HydrophobicContact CD1-CG2 3.8Å; L569-T588 HydrophobicContact CD2-CG2 3.98Å; L569-T588 HydrophobicContact CG-CG2 3.65Å; F586-T588 HydrophobicContact CD1-CG2 4.36Å
589F86.3Confident83.9Confident155 Ų15541.4 Ų41.468%0.6820%0.2SC*.THydrogen-bonded Turntrans-85.3-49.5-178.4179.4-95.7000111.3D587 C591D587-F589 VanDerWaalsContact C-N 3.26Å; D587-F589 PolarHBondContact O-N 3.24Å; D587-F589 WeakPolarHBondContact OD1-CB 3.48Å; D587-F589 PolarHBondContact OD1-N 3.18Å; F589-C591 VanDerWaalsContact C-N 3.31Å
590S87.9Confident83.9Confident47 Ų4744.6 Ų44.633%0.32921%0.214SC..THydrogen-bonded Turntrans-81.8-11.417763.20000113.4D587 Q592D587-S590 VanDerWaalsContact CB-OG 3.3Å; D587-S590 WeakPolarHBondContact CB-OG 3.44Å; D587-S590 PolarHBondContact OD1-N 3.07Å; D587-S590 WeakPolarHBondContact OD2-CB 3.45Å; D587-S590 PolarHBondContact OD2-OG 3.13Å; S590-Q592 VanDerWaalsContact C-N 3.32Å; S590-Q592 PolarHBondContact O-N 3.26Å
591C88.5Confident83.1Confident27 Ų2745.6 Ų45.618%0.18222%0.22CC..THydrogen-bonded Turntrans54.943-174.1-67.90000112.7R525 E538 P541 F586 D587 F589R525-C591 PolarHBondContact NH2-SG 2.85Å; E538-C591 PolarHBondContact OE1-SG 2.9Å; P541-C591 WeakPolarHBondContact CD-O 3.28Å; P541-C591 WeakPolarHBondContact CG-O 3.39Å; F586-C591 HydrophobicContact CZ-CB 4.1Å; D587-C591 VanDerWaalsContact O-CA 3.25Å; D587-C591 WeakPolarHBondContact O-CA 3.23Å; D587-C591 PolarHBondContact O-N 2.93Å; F589-C591 VanDerWaalsContact C-N 3.31Å
592Q89.6Confident82.1Confident113 Ų11349.9 Ų49.953%0.52825%0.25SS..EExtended strand (participates in β ladder)trans-130.1152.8-177.8-69.2179.94.900112.5D587 S590 L594D587-Q592 PolarHBondContact N-O 3.5Å; D587-Q592 PolarHBondContact O-N 2.83Å; S590-Q592 VanDerWaalsContact C-N 3.32Å; S590-Q592 PolarHBondContact O-N 3.26Å; Q592-L594 HydrophobicContact CB-CD2 4.44Å
593W88.2Confident80.6Confident33 Ų3355 Ų5513%0.12528%0.277CS..EExtended strand (participates in β ladder)trans-85.7121.3170.4-7197000109.7F523 P541 N542 P543 P544 F545 M549 Y584 F586F523-W593 HydrophobicContact CD1-CZ2 4.25Å; F523-W593 AromaticContact CE1-CZ2 3.96Å; F523-W593 HydrophobicContact CE1-CZ2 3.96Å; P541-W593 PolarHBondContact O-NE1 2.88Å; N542-W593 PolarHBondContact O-NE1 3.26Å; P543-W593 HydrophobicContact CB-CD2 4.42Å; P543-W593 HydrophobicContact CB-CH2 4.32Å; P543-W593 HydrophobicContact CB-CZ2 3.88Å; P544-W593 HydrophobicContact CG-CB 4.26Å; F545-W593 HydrophobicContact CE1-CE3 4.2Å; F545-W593 HydrophobicContact CE1-CH2 4.48Å; F545-W593 AromaticContact CE1-CZ3 4Å; F545-W593 HydrophobicContact CE1-CZ3 4Å; F545-W593 HydrophobicContact CZ-CH2 4.25Å; F545-W593 HydrophobicContact CZ-CZ3 4.14Å; M549-W593 HydrophobicContact CE-CH2 3.81Å; M549-W593 HydrophobicContact CE-CZ2 3.74Å; M549-W593 HydrophobicContact SD-CH2 3.35Å; M549-W593 WeakPolarHBondContact SD-CH2 3.46Å; M549-W593 HydrophobicContact SD-CZ2 3.93Å; M549-W593 HydrophobicContact SD-CZ3 4.3Å; Y584-W593 HydrophobicContact CD1-CB 4.46Å; F586-W593 HydrophobicContact CB-CD2 4.21Å; F586-W593 HydrophobicContact CB-CE3 3.96Å; F586-W593 HydrophobicContact CB-CH2 3.78Å; F586-W593 HydrophobicContact CB-CZ2 4.05Å; F586-W593 HydrophobicContact CB-CZ3 3.76Å; F586-W593 HydrophobicContact CD2-CD2 4.02Å; F586-W593 AromaticContact CD2-CE2 3.73Å; F586-W593 HydrophobicContact CD2-CG 4.26Å; F586-W593 HydrophobicContact CD2-CZ2 4.06Å; F586-W593 AromaticContact CD2-NE1 3.8Å; F586-W593 HydrophobicContact CG-CZ2 4.35Å
594L89.1Confident78.9Confident35 Ų3556.4 Ų56.418%0.18329%0.285CS..EExtended strand (participates in β ladder)trans-115148.2-178.3-57.8179.1000110.2Y568 Y584 C585 D587 Q592 L620Y568-L594 HydrophobicContact CE1-CD1 4.14Å; Y584-L594 CarbonylContact C-O 3.53Å; Y584-L594 VanDerWaalsContact CA-O 3.28Å; Y584-L594 WeakPolarHBondContact CA-O 3.41Å; C585-L594 PolarHBondContact N-O 3.11Å; C585-L594 PolarHBondContact O-N 3.07Å; D587-L594 HydrophobicContact CB-CD1 3.76Å; D587-L594 HydrophobicContact CB-CG 4.33Å; Q592-L594 HydrophobicContact CB-CD2 4.44Å; L594-L620 HydrophobicContact CB-CD1 4.1Å; L594-L620 HydrophobicContact CD1-CD1 3.77Å
595R87.4Confident76.8Confident87 Ų8760.5 Ų60.533%0.32831%0.308SS..EExtended strand (participates in β ladder)trans-82.9142.8171.7-72.1-178.3172.2-171.9-4.8110.4E580 H583 Y584E580-R595 IonicContact OE1-NH2 3.51Å; H583-R595 CarbonylContact O-C 3.54Å; H583-R595 VanDerWaalsContact O-CA 3.32Å; H583-R595 WeakPolarHBondContact O-CA 3.48Å; Y584-R595 HydrophobicContact CD1-CG 3.86Å; Y584-R595 HydrophobicContact CE1-CG 3.4Å; Y584-R595 PolarHBondContact OH-NE 2.96Å; Y584-R595 PolarHBondContact OH-NH2 2.94Å
596W86.9Confident74.6Confident5 Ų569.7 Ų69.72%0.01935%0.351CS..EExtended strand (participates in β ladder)trans-137.6158.717672.9-85.3000111.3F570 T582 H583 Y584 P598 L620 F622 L624 L629F570-W596 HydrophobicContact CD1-CD2 4.49Å; F570-W596 AromaticContact CD1-CE2 3.85Å; F570-W596 HydrophobicContact CD1-CZ2 4.11Å; F570-W596 AromaticContact CD1-NE1 3.71Å; F570-W596 AromaticContact CE1-CD1 3.73Å; F570-W596 AromaticContact CE1-CD2 3.71Å; F570-W596 HydrophobicContact CE1-CD2 3.71Å; F570-W596 AromaticContact CE1-CE2 3.52Å; F570-W596 HydrophobicContact CE1-CE3 4.36Å; F570-W596 AromaticContact CE1-CG 3.88Å; F570-W596 HydrophobicContact CE1-CG 3.88Å; F570-W596 HydrophobicContact CE1-CZ2 4.06Å; F570-W596 AromaticContact CE1-NE1 3.5Å; T582-W596 VanDerWaalsContact O-CE2 3.22Å; T582-W596 WeakPolarHBondContact O-CZ2 3.46Å; T582-W596 PolarHBondContact O-NE1 2.62Å; H583-W596 VanDerWaalsContact C-NE1 3.35Å; H583-W596 PolarHBondContact O-N 3.1Å; Y584-W596 VanDerWaalsContact C-CD1 3.46Å; Y584-W596 PolarHBondContact O-NE1 3.18Å; W596-P598 HydrophobicContact CZ3-CB 4.41Å; W596-L620 VanDerWaalsContact CA-O 3.3Å; W596-L620 WeakPolarHBondContact CA-O 3.46Å; W596-L620 HydrophobicContact CB-CB 4.04Å; W596-F622 HydrophobicContact CB-CD2 4.11Å; W596-F622 HydrophobicContact CB-CE2 4.39Å; W596-F622 HydrophobicContact CD2-CD2 4.43Å; W596-F622 HydrophobicContact CE3-CB 4.01Å; W596-F622 HydrophobicContact CE3-CD2 4.18Å; W596-F622 HydrophobicContact CG-CD2 4.41Å; W596-F622 HydrophobicContact CZ3-CB 4.18Å; W596-L624 HydrophobicContact CH2-CB 3.53Å; W596-L624 HydrophobicContact CZ2-CB 4.39Å; W596-L624 HydrophobicContact CZ3-CB 3.75Å; W596-L624 WeakPolarHBondContact CZ3-O 3.31Å; W596-L629 HydrophobicContact CH2-CD1 4.24Å; W596-L629 HydrophobicContact CZ2-CD1 3.56Å
597K84.4Confident72.3Confident81 Ų8176.4 Ų76.435%0.35239%0.386SS..EExtended strand (participates in β ladder)trans-125.5149.4176.465.2179.5176.1-172.70112.9I618 L620 T621 F622K597-I618 HydrophobicContact CB-CG2 4.22Å; K597-I618 HydrophobicContact CD-CG2 4.02Å; K597-I618 HydrophobicContact CG-CG2 3.94Å; K597-L620 PolarHBondContact N-O 3.03Å; K597-T621 VanDerWaalsContact CE-OG1 3.27Å; K597-T621 WeakPolarHBondContact CE-OG1 3.42Å; K597-T621 HydrophobicContact CG-CG2 4.34Å; K597-T621 WeakPolarHBondContact O-CA 3.37Å; K597-F622 PolarHBondContact O-N 3.09Å; K597-F622 VanDerWaalsContact O-N 3.14Å
598P83.1Confident69.7Low11 Ų1181.3 Ų81.37%0.07141%0.413CS..EExtended strand (participates in β ladder)trans-67.1153.1170.231-37000111.3W596 Q600 M601 F622 L624W596-P598 HydrophobicContact CZ3-CB 4.41Å; P598-Q600 VanDerWaalsContact C-N 3.27Å; P598-Q600 PolarHBondContact O-N 2.84Å; P598-M601 HydrophobicContact CG-CG 4.11Å; P598-F622 WeakPolarHBondContact CA-O 3.27Å; P598-L624 WeakPolarHBondContact CB-O 3.21Å
599V78.1Confident67.3Low51 Ų5185.7 Ų85.731%0.30944%0.441SS..SBendtrans-61.1-33.2172.51740000112.4T621 F622 N623 C719 L728V599-T621 HydrophobicContact CG2-CG2 3.76Å; V599-F622 PolarHBondContact N-O 2.85Å; V599-F622 VanDerWaalsContact N-O 3.11Å; V599-N623 HydrophobicContact CG2-CB 4.29Å; V599-C719 HydrophobicContact CG2-CB 3.48Å; V599-C719 VanDerWaalsContact CG2-CB 3.48Å; V599-C719 VanDerWaalsContact CG2-SG 3.53Å; V599-L728 HydrophobicContact CB-CD2 4.01Å; V599-L728 HydrophobicContact CG1-CD2 4.05Å
600Q66.8Low65.2Low120 Ų12081.9 Ų81.956%0.56143%0.427SS*.  trans-127134.4173.7-76-171.8-5.100111.3P598 L728P598-Q600 VanDerWaalsContact C-N 3.27Å; P598-Q600 PolarHBondContact O-N 2.84Å; Q600-L728 HydrophobicContact CB-CD1 4.35Å; Q600-L728 HydrophobicContact CG-CD1 3.64Å; Q600-L728 VanDerWaalsContact OE1-CD1 3.23Å
601M54.1Low62.9Low112 Ų11281.7 Ų81.755%0.55243%0.432SS*.  trans-101.7-0.7171.4-84.1-161.7-171.500113.7P598 D603 I604P598-M601 HydrophobicContact CG-CG 4.11Å; M601-D603 PolarHBondContact O-N 2.9Å; M601-I604 HydrophobicContact CB-CD1 4.13Å; M601-I604 HydrophobicContact CG-CD1 3.89Å; M601-I604 PolarHBondContact O-N 2.81Å; M601-I604 HydrophobicContact SD-CD1 4.1Å
602S48.9Very low60.4Low91 Ų9190.3 Ų90.364%0.63647%0.47SS*.THydrogen-bonded Turntrans-64.3-9-16847.30000116
603D44Very low58.2Low111 Ų11191.1 Ų91.159%0.59447%0.474SS*.THydrogen-bonded Turntrans-108.89.1-177.4-97.721.3000113.9M601 D605 K627M601-D603 PolarHBondContact O-N 2.9Å; D603-D605 PolarHBondContact O-N 3.23Å; D603-K627 IonicContact OD2-NZ 3.04Å; D603-K627 PolarHBondContact OD2-NZ 3.02Å
604I46.2Very low56Low63 Ų6393.8 Ų93.832%0.32350%0.495SS..SBendtrans-76.6118.2170.4-59.9173.4000107M601 E606 I610M601-I604 HydrophobicContact CB-CD1 4.13Å; M601-I604 HydrophobicContact CG-CD1 3.89Å; M601-I604 PolarHBondContact O-N 2.81Å; M601-I604 HydrophobicContact SD-CD1 4.1Å; I604-E606 PolarHBondContact O-N 2.81Å; I604-E606 VanDerWaalsContact O-N 3.1Å; I604-I610 HydrophobicContact CD1-CD1 4.18Å
605D43.2Very low54Low105 Ų10597.1 Ų97.156%0.56152%0.521SS*.  trans-42.6119.5173.3-92.6-35.4000109.9D603 L607 N608D603-D605 PolarHBondContact O-N 3.23Å; D605-L607 PolarHBondContact O-N 3.08Å; D605-N608 PolarHBondContact O-N 2.64Å; D605-N608 VanDerWaalsContact O-N 3.1Å
606E41.8Very low52.1Low192 Ų192101.4 Ų101.490%0.89755%0.545SS*.THydrogen-bonded Turntrans-54.1-14.4176.6-68.3-175.4156.700113.1I604 N608I604-E606 PolarHBondContact O-N 2.81Å; I604-E606 VanDerWaalsContact O-N 3.1Å; E606-N608 VanDerWaalsContact C-N 3.33Å; E606-N608 PolarHBondContact O-N 3.5Å
607L42.6Very low50.5Low142 Ų142107.7 Ų107.774%0.74358%0.579SS**THydrogen-bonded Turntrans-74.2-14.4179.2-78.8154000114.7D605D605-L607 PolarHBondContact O-N 3.08Å
608N38.2Very low49.2Very low108 Ų108107.1 Ų107.158%0.57858%0.579SS**SBendtrans-12682.9169.9-95.2-19.8000109.3D605 E606 I610D605-N608 PolarHBondContact O-N 2.64Å; D605-N608 VanDerWaalsContact O-N 3.1Å; E606-N608 VanDerWaalsContact C-N 3.33Å; E606-N608 PolarHBondContact O-N 3.5Å; N608-I610 VanDerWaalsContact C-N 3.3Å; N608-I610 PolarHBondContact O-N 3.05Å
609P37.3Very low48.5Very low110 Ų110114.6 Ų114.671%0.71461%0.613SS**  trans-64.799.4167.727.3-30.3000106.8G611P609-G611 PolarHBondContact O-N 2.8Å
610I42.3Very low48.7Very low76 Ų76113.4 Ų113.439%0.3961%0.605SS.*  trans-49.6114.9168.6-63.7171.3000105I604 N608 Q612I604-I610 HydrophobicContact CD1-CD1 4.18Å; N608-I610 VanDerWaalsContact C-N 3.3Å; N608-I610 PolarHBondContact O-N 3.05Å; I610-Q612 PolarHBondContact O-N 2.78Å
611G39.7Very low49.6Very low42 Ų42108.7 Ų108.743%0.43358%0.584SS.*  trans-47.6140.7-174.800000109.8P609 H613P609-G611 PolarHBondContact O-N 2.8Å; G611-H613 VanDerWaalsContact C-N 3.26Å; G611-H613 PolarHBondContact O-CD2 3.08Å; G611-H613 PolarHBondContact O-N 2.72Å
612Q37.6Very low51.2Low209 Ų209103.3 Ų103.398%0.97756%0.558SS**  trans-45.290.7172.1-65.9169.9-1800109.6I610I610-Q612 PolarHBondContact O-N 2.78Å
613H42.3Very low52.9Low130 Ų13099.3 Ų99.360%0.60253%0.529SS*.  trans-96.5145176.9-79.7-56.9000108.3G611 S615G611-H613 VanDerWaalsContact C-N 3.26Å; G611-H613 PolarHBondContact O-CD2 3.08Å; G611-H613 PolarHBondContact O-N 2.72Å; H613-S615 PolarHBondContact O-N 3.33Å
614P41.9Very low55Low88 Ų8894.1 Ų94.157%0.57150%0.501SS*.  trans-61.9125.2-16524-32000110.4E616P614-E616 PolarHBondContact O-N 3.22Å
615S47.8Very low56.8Low105 Ų10592.3 Ų92.373%0.73449%0.494SS*.THydrogen-bonded Turntrans-74.73.6-174.543.90000114.7H613H613-S615 PolarHBondContact O-N 3.33Å
616E47.5Very low58.5Low178 Ų17888.7 Ų88.783%0.83248%0.476SS*.THydrogen-bonded Turntrans-92.2-18.4-164.8-67.1-172.6162.400115.2P614P614-E616 PolarHBondContact O-N 3.22Å
617D53.5Low60.5Low136 Ų13681.3 Ų81.373%0.72744%0.441SS*.SBendtrans-113.417.2-175.1-64.5-30.7000115.2E619D617-E619 PolarHBondContact O-N 2.9Å
618I57.3Low62.5Low70 Ų7074.5 Ų74.536%0.35941%0.406SS..  trans-91.396-179.6-52.8175.8000110.7K597K597-I618 HydrophobicContact CB-CG2 4.22Å; K597-I618 HydrophobicContact CD-CG2 4.02Å; K597-I618 HydrophobicContact CG-CG2 3.94Å
619E66.6Low64.7Low167 Ų16769.4 Ų69.478%0.7838%0.378SS*.  trans-86.7-23.5-179.9-66.2-171.3162.500114.3D617D617-E619 PolarHBondContact O-N 2.9Å
620L82.8Confident66.8Low26 Ų2664.3 Ų64.314%0.13635%0.346CS..EExtended strand (participates in β ladder)trans-118.1134.5-165.7-61173.1000113.8Y568 L594 W596 K597 F622Y568-L620 HydrophobicContact CD1-CD1 3.97Å; Y568-L620 HydrophobicContact CE1-CD1 3.46Å; Y568-L620 VanDerWaalsContact CE1-CD1 3.46Å; Y568-L620 HydrophobicContact CE1-CD2 4.41Å; L594-L620 HydrophobicContact CB-CD1 4.1Å; L594-L620 HydrophobicContact CD1-CD1 3.77Å; W596-L620 VanDerWaalsContact CA-O 3.3Å; W596-L620 WeakPolarHBondContact CA-O 3.46Å; W596-L620 HydrophobicContact CB-CB 4.04Å; K597-L620 PolarHBondContact N-O 3.03Å; L620-F622 HydrophobicContact CB-CD2 4.42Å; L620-F622 HydrophobicContact CB-CE2 3.84Å; L620-F622 HydrophobicContact CD1-CE2 4.38Å
621T85.7Confident68.9Low21 Ų2161 Ų6113%0.12933%0.329CS..EExtended strand (participates in β ladder)trans-126131.6176.2-54.70000110.2K597 V599 C719K597-T621 VanDerWaalsContact CE-OG1 3.27Å; K597-T621 WeakPolarHBondContact CE-OG1 3.42Å; K597-T621 HydrophobicContact CG-CG2 4.34Å; K597-T621 WeakPolarHBondContact O-CA 3.37Å; V599-T621 HydrophobicContact CG2-CG2 3.76Å; T621-C719 HydrophobicContact CG2-CB 4.44Å; T621-C719 PolarHBondContact O-N 3.02Å
622F87.5Confident71Confident0 Ų063.1 Ų63.10%032%0.324CS..EExtended strand (participates in β ladder)trans-131.7151.7179.4-69.9-93.3000110.5I555 Y568 F570 W596 K597 P598 V599 L620 L624 Q717 A718I555-F622 HydrophobicContact CD1-CD1 4.12Å; I555-F622 HydrophobicContact CD1-CE1 4.36Å; I555-F622 HydrophobicContact CG2-CE1 4.1Å; Y568-F622 HydrophobicContact CD2-CE1 4.37Å; Y568-F622 AromaticContact CD2-CZ 3.71Å; Y568-F622 HydrophobicContact CD2-CZ 3.71Å; Y568-F622 HydrophobicContact CE2-CZ 4.2Å; Y568-F622 HydrophobicContact CG-CZ 4.01Å; F570-F622 HydrophobicContact CE1-CD2 4.21Å; F570-F622 HydrophobicContact CE1-CE2 4.45Å; F570-F622 HydrophobicContact CE1-CG 4.46Å; F570-F622 HydrophobicContact CE2-CE1 4.24Å; F570-F622 HydrophobicContact CE2-CE2 4.49Å; F570-F622 HydrophobicContact CE2-CZ 4.24Å; F570-F622 HydrophobicContact CZ-CD1 4.01Å; F570-F622 AromaticContact CZ-CD2 3.67Å; F570-F622 HydrophobicContact CZ-CD2 3.67Å; F570-F622 AromaticContact CZ-CE1 3.97Å; F570-F622 HydrophobicContact CZ-CE1 3.97Å; F570-F622 AromaticContact CZ-CE2 3.6Å; F570-F622 HydrophobicContact CZ-CE2 3.6Å; F570-F622 AromaticContact CZ-CG 3.88Å; F570-F622 HydrophobicContact CZ-CG 3.88Å; F570-F622 AromaticContact CZ-CZ 3.78Å; F570-F622 HydrophobicContact CZ-CZ 3.78Å; W596-F622 HydrophobicContact CB-CD2 4.11Å; W596-F622 HydrophobicContact CB-CE2 4.39Å; W596-F622 HydrophobicContact CD2-CD2 4.43Å; W596-F622 HydrophobicContact CE3-CB 4.01Å; W596-F622 HydrophobicContact CE3-CD2 4.18Å; W596-F622 HydrophobicContact CG-CD2 4.41Å; W596-F622 HydrophobicContact CZ3-CB 4.18Å; K597-F622 PolarHBondContact O-N 3.09Å; K597-F622 VanDerWaalsContact O-N 3.14Å; P598-F622 WeakPolarHBondContact CA-O 3.27Å; V599-F622 PolarHBondContact N-O 2.85Å; V599-F622 VanDerWaalsContact N-O 3.11Å; L620-F622 HydrophobicContact CB-CD2 4.42Å; L620-F622 HydrophobicContact CB-CE2 3.84Å; L620-F622 HydrophobicContact CD1-CE2 4.38Å; F622-L624 HydrophobicContact CB-CB 4.29Å; F622-L624 HydrophobicContact CB-CG 4.45Å; F622-L624 PolarHBondContact O-N 3.3Å; F622-Q717 WeakPolarHBondContact CA-O 3.48Å; F622-A718 HydrophobicContact CD1-CB 4.14Å; F622-A718 HydrophobicContact CE1-CB 3.78Å; F622-A718 HydrophobicContact CZ-CB 4.3Å
623N86.1Confident73.3Confident6 Ų653.2 Ų53.23%0.03228%0.278CS..SBendtrans-78.533.4169.372.6-20.8000112.5V599 H714 H715 P716 Q717 V726 A727 L728V599-N623 HydrophobicContact CG2-CB 4.29Å; N623-H714 PolarHBondContact O-CE1 3.31Å; N623-H714 PolarHBondContact O-NE2 3.44Å; N623-H715 PolarHBondContact ND2-O 3.33Å; N623-H715 PolarHBondContact OD1-O 2.87Å; N623-P716 WeakPolarHBondContact OD1-CA 3.36Å; N623-Q717 PolarHBondContact N-O 2.85Å; N623-Q717 PolarHBondContact OD1-N 2.9Å; N623-Q717 PolarHBondContact OD1-O 2.86Å; N623-V726 HydrophobicContact CB-CG1 3.53Å; N623-V726 WeakPolarHBondContact ND2-CG1 3.35Å; N623-A727 PolarHBondContact ND2-O 3.11Å; N623-A727 VanDerWaalsContact ND2-O 3.15Å; N623-L728 HydrophobicContact CB-CD2 4.37Å
624L87.2Confident75.5Confident2 Ų247 Ų471%0.0125%0.249CC..  trans-97.3161.2169.9-75.6177.6000109.9L553 I555 F570 W596 P598 F622 V628 L629 L695 P716L553-L624 HydrophobicContact CD2-CD1 4.45Å; L553-L624 HydrophobicContact CD2-CD2 4.45Å; I555-L624 HydrophobicContact CD1-CD1 3.53Å; I555-L624 HydrophobicContact CD1-CG 4.25Å; F570-L624 HydrophobicContact CD1-CD1 3.66Å; F570-L624 HydrophobicContact CD2-CD1 4.18Å; F570-L624 HydrophobicContact CE1-CD1 3.76Å; F570-L624 HydrophobicContact CE2-CD1 4.31Å; F570-L624 HydrophobicContact CG-CD1 3.88Å; F570-L624 HydrophobicContact CZ-CD1 4.09Å; W596-L624 HydrophobicContact CH2-CB 3.53Å; W596-L624 HydrophobicContact CZ2-CB 4.39Å; W596-L624 HydrophobicContact CZ3-CB 3.75Å; W596-L624 WeakPolarHBondContact CZ3-O 3.31Å; P598-L624 WeakPolarHBondContact CB-O 3.21Å; F622-L624 HydrophobicContact CB-CB 4.29Å; F622-L624 HydrophobicContact CB-CG 4.45Å; F622-L624 PolarHBondContact O-N 3.3Å; L624-V628 HydrophobicContact CD2-CG1 3.96Å; L624-L629 HydrophobicContact CD1-CD2 4.35Å; L624-L695 HydrophobicContact CD2-CD1 4.31Å; L624-P716 HydrophobicContact CD2-CB 3.98Å; L624-P716 HydrophobicContact CG-CB 4.32Å
625C83.6Confident77.8Confident26 Ų2643.5 Ų43.518%0.17623%0.226CC..  trans-149.8164.2174.268.60000111.5K627 V628 L629C625-K627 PolarHBondContact O-N 2.95Å; C625-K627 VanDerWaalsContact O-N 3.16Å; C625-V628 PolarHBondContact O-N 3.08Å; C625-L629 PolarHBondContact O-N 2.87Å; C625-L629 VanDerWaalsContact O-N 3.09Å
626P80.2Confident79.7Confident28 Ų2838.8 Ų38.818%0.18219%0.193CC..Hα-helixtrans-55.8-32178.5-2836.1000114V628 L629 G630P626-V628 VanDerWaalsContact C-N 3.3Å; P626-V628 PolarHBondContact O-N 2.9Å; P626-L629 PolarHBondContact O-N 3.12Å; P626-G630 PolarHBondContact O-N 3.46Å
627K82.2Confident81.5Confident37 Ų3730.6 Ų30.616%0.16116%0.156CC..Hα-helixtrans-62.5-34.6176.2-64.1179.7-179178.40112.7D603 C625 F631 P701 F729 S731D603-K627 IonicContact OD2-NZ 3.04Å; D603-K627 PolarHBondContact OD2-NZ 3.02Å; C625-K627 PolarHBondContact O-N 2.95Å; C625-K627 VanDerWaalsContact O-N 3.16Å; K627-F631 PolarHBondContact O-N 3.46Å; K627-P701 HydrophobicContact CB-CB 4.35Å; K627-F729 HydrophobicContact CB-CD1 4.49Å; K627-F729 HydrophobicContact CB-CE1 4.28Å; K627-S731 PolarHBondContact NZ-OG 3.01Å
628V86Confident82.9Confident0 Ų024.3 Ų24.30%012%0.122CC..Hα-helixtrans-77.7-46.7175.7173.50000110.5M572 L624 C625 P626 G630 F631 L695 L697 F729M572-V628 HydrophobicContact CE-CG1 4.49Å; L624-V628 HydrophobicContact CD2-CG1 3.96Å; C625-V628 PolarHBondContact O-N 3.08Å; P626-V628 VanDerWaalsContact C-N 3.3Å; P626-V628 PolarHBondContact O-N 2.9Å; V628-G630 VanDerWaalsContact C-N 3.33Å; V628-G630 PolarHBondContact O-N 2.93Å; V628-F631 VanDerWaalsContact O-CB 3.23Å; V628-F631 WeakPolarHBondContact O-CB 3.5Å; V628-F631 PolarHBondContact O-N 2.86Å; V628-L695 HydrophobicContact CG1-CD1 3.94Å; V628-L697 HydrophobicContact CG1-CD1 4.18Å; V628-L697 HydrophobicContact CG2-CD1 4.47Å; V628-F729 HydrophobicContact CG2-CB 3.84Å; V628-F729 HydrophobicContact CG2-CD1 3.56Å; V628-F729 HydrophobicContact CG2-CD2 3.67Å; V628-F729 HydrophobicContact CG2-CE1 3.98Å; V628-F729 HydrophobicContact CG2-CE2 4.09Å; V628-F729 HydrophobicContact CG2-CG 3.38Å; V628-F729 HydrophobicContact CG2-CZ 4.23Å
629L84.1Confident83.6Confident0 Ų022.9 Ų22.90%011%0.114CC..Hα-helixtrans-68.4-31.4-177.6-65-173.5000113.6F570 M572 G573 W596 L624 C625 P626F570-L629 HydrophobicContact CB-CD2 4.22Å; M572-L629 HydrophobicContact CE-CD2 4.09Å; M572-L629 HydrophobicContact CG-CD2 4.25Å; M572-L629 HydrophobicContact SD-CD2 3.66Å; G573-L629 PolarHBondContact N-O 3.3Å; W596-L629 HydrophobicContact CH2-CD1 4.24Å; W596-L629 HydrophobicContact CZ2-CD1 3.56Å; L624-L629 HydrophobicContact CD1-CD2 4.35Å; C625-L629 PolarHBondContact O-N 2.87Å; C625-L629 VanDerWaalsContact O-N 3.09Å; P626-L629 PolarHBondContact O-N 3.12Å
630G81.4Confident83.5Confident4 Ų416 Ų164%0.0418%0.083CC..THydrogen-bonded Turntrans-88.21.8175.400000114.8P626 V628 R632 D702P626-G630 PolarHBondContact O-N 3.46Å; V628-G630 VanDerWaalsContact C-N 3.33Å; V628-G630 PolarHBondContact O-N 2.93Å; G630-R632 PolarHBondContact O-N 2.95Å; G630-D702 WeakPolarHBondContact O-CB 3.31Å
631F85.5Confident82.3Confident7 Ų715.1 Ų15.13%0.0318%0.078CC..  trans-50136.6-169.1-169.4-86.9000113.3K627 V628 V635 L697 R700 P701 W712K627-F631 PolarHBondContact O-N 3.46Å; V628-F631 VanDerWaalsContact O-CB 3.23Å; V628-F631 WeakPolarHBondContact O-CB 3.5Å; V628-F631 PolarHBondContact O-N 2.86Å; F631-V635 HydrophobicContact CB-CG2 4.24Å; F631-V635 HydrophobicContact CD1-CG2 3.63Å; F631-V635 HydrophobicContact CE1-CG2 4.46Å; F631-V635 HydrophobicContact CG-CG2 4.32Å; F631-L697 HydrophobicContact CB-CD2 4.4Å; F631-L697 HydrophobicContact CD1-CB 4.15Å; F631-L697 HydrophobicContact CD1-CD2 4.29Å; F631-L697 HydrophobicContact CD2-CB 4.1Å; F631-L697 HydrophobicContact CD2-CD1 4.27Å; F631-L697 HydrophobicContact CE1-CB 3.84Å; F631-L697 HydrophobicContact CE2-CB 3.79Å; F631-L697 HydrophobicContact CG-CB 4.27Å; F631-L697 HydrophobicContact CG-CD2 4.18Å; F631-L697 HydrophobicContact CZ-CB 3.65Å; F631-R700 VanDerWaalsContact CE2-C 3.48Å; F631-P701 HydrophobicContact CE2-CG 4.34Å; F631-W712 HydrophobicContact CE2-CD2 4.47Å; F631-W712 AromaticContact CE2-CE3 3.63Å; F631-W712 HydrophobicContact CE2-CE3 3.63Å; F631-W712 AromaticContact CE2-CZ3 3.68Å; F631-W712 HydrophobicContact CE2-CZ3 3.68Å; F631-W712 AromaticContact CZ-CE3 3.74Å; F631-W712 HydrophobicContact CZ-CE3 3.74Å; F631-W712 AromaticContact CZ-CZ3 3.7Å; F631-W712 HydrophobicContact CZ-CZ3 3.7Å
632R84.3Confident80.7Confident85 Ų8516.3 Ų16.332%0.3218%0.083SC..EExtended strand (participates in β ladder)trans-104.3110.5-177.7-60.5-63.9-177.9161.1-1.7110.4G630 G699 R700 D702G630-R632 PolarHBondContact O-N 2.95Å; R632-G699 WeakPolarHBondContact O-CA 3.46Å; R632-R700 HydrophobicContact CB-CG 4.05Å; R632-R700 PolarHBondContact N-O 2.88Å; R632-R700 PolarHBondContact O-N 3.37Å; R632-D702 HydrophobicContact CG-CB 4.36Å; R632-D702 IonicContact CZ-OD2 3.52Å; R632-D702 IonicContact NE-OD2 3.04Å; R632-D702 PolarHBondContact NE-OD2 3.41Å; R632-D702 VanDerWaalsContact NE-OD2 3.07Å; R632-D702 IonicContact NH2-OD2 2.7Å; R632-D702 PolarHBondContact NH2-OD2 2.96Å
633G86.6Confident78.8Confident1 Ų122 Ų221%0.0111%0.105CC..EExtended strand (participates in β ladder)trans143-146.6176.300000112.3L746G633-L746 WeakPolarHBondContact CA-O 3.33Å
634L88.7Confident76.9Confident1 Ų123.8 Ų23.81%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-81.2123.8177.7-49.3-177.1000109L307 F324 A698 L746 T753L307-L634 HydrophobicContact CD2-CB 4.2Å; L307-L634 HydrophobicContact CD2-CD1 4.1Å; F324-L634 HydrophobicContact CD2-CD1 4.43Å; F324-L634 HydrophobicContact CE2-CD1 3.87Å; L634-A698 HydrophobicContact CB-CB 4.25Å; L634-A698 PolarHBondContact N-O 3.25Å; L634-A698 PolarHBondContact O-N 3.44Å; L634-L746 HydrophobicContact CD1-CD1 4.47Å; L634-L746 HydrophobicContact CD1-CD2 3.97Å; L634-L746 HydrophobicContact CD2-CD2 3.99Å; L634-L746 HydrophobicContact CG-CD1 4.41Å; L634-L746 HydrophobicContact CG-CD2 3.78Å; L634-T753 HydrophobicContact CB-CG2 3.82Å; L634-T753 WeakPolarHBondContact CB-OG1 3.36Å; L634-T753 WeakPolarHBondContact CD2-OG1 3.32Å
635V88.6Confident74.7Confident13 Ų1327.6 Ų27.68%0.07913%0.134CC..EExtended strand (participates in β ladder)trans-133.4127.2-179.7178.10000107.8L485 M572 F631 L697L485-V635 HydrophobicContact CD1-CG1 3.69Å; L485-V635 HydrophobicContact CD2-CG1 4.14Å; L485-V635 WeakPolarHBondContact CD2-O 3.33Å; M572-V635 HydrophobicContact CE-CG1 4.32Å; F631-V635 HydrophobicContact CB-CG2 4.24Å; F631-V635 HydrophobicContact CD1-CG2 3.63Å; F631-V635 HydrophobicContact CE1-CG2 4.46Å; F631-V635 HydrophobicContact CG-CG2 4.32Å; V635-L697 HydrophobicContact CB-CD2 4.25Å; V635-L697 HydrophobicContact CG1-CD2 3.72Å; V635-L697 HydrophobicContact CG2-CD2 3.83Å
636C88Confident72.6Confident6 Ų632.3 Ų32.34%0.04115%0.154CC..EExtended strand (participates in β ladder)trans-152158.717363.30000110.7L307 V696 T753 V755L307-C636 WeakPolarHBondContact CD1-SG 3.39Å; C636-V696 PolarHBondContact N-O 2.98Å; C636-V696 PolarHBondContact O-N 3.08Å; C636-T753 HydrophobicContact CB-CG2 4.05Å; C636-V755 WeakPolarHBondContact SG-CG2 3.19Å
637A86.7Confident70.5Confident6 Ų636.2 Ų36.25%0.0517%0.174CC..EExtended strand (participates in β ladder)trans-109.2136.8173.800000110L485 L553 T693 L694 L695L485-A637 HydrophobicContact CB-CB 4.27Å; L485-A637 WeakPolarHBondContact O-CB 3.21Å; L485-A637 PolarHBondContact O-N 2.93Å; L553-A637 HydrophobicContact CD1-CB 4.06Å; A637-T693 HydrophobicContact CB-CG2 3.75Å; A637-L694 CarbonylContact C-O 3.42Å; A637-L694 WeakPolarHBondContact CA-O 3.48Å; A637-L695 HydrophobicContact CB-CD2 4.09Å
638T81.6Confident68.3Low4 Ų440.2 Ų40.23%0.02519%0.191CC..EExtended strand (participates in β ladder)trans-140.9152.2-179.4-1720000111.1L640 L641 L694 V696 V755T638-L640 PolarHBondContact OG1-N 2.61Å; T638-L641 HydrophobicContact CG2-CD1 3.86Å; T638-L694 PolarHBondContact N-O 2.83Å; T638-L694 PolarHBondContact O-N 3.26Å; T638-V696 HydrophobicContact CG2-CG2 3.85Å; T638-V755 HydrophobicContact CG2-CB 4.23Å; T638-V755 HydrophobicContact CG2-CG1 4.07Å; T638-V755 HydrophobicContact CG2-CG2 4.22Å
639H72.6Confident65.5Low41 Ų4145.2 Ų45.219%0.1922%0.217CC..SBendtrans-102.4-2.1173.1-58.5-75.9000112.3L641 L691 T693H639-L641 PolarHBondContact O-N 3.1Å; H639-L691 HydrophobicContact CB-CB 4.07Å; H639-L691 HydrophobicContact CB-CD1 4.41Å; H639-L691 PolarHBondContact CE1-O 2.95Å; H639-L691 PolarHBondContact ND1-O 2.92Å; H639-T693 PolarHBondContact CE1-OG1 3.33Å
640L64.7Low62.7Low22 Ų2247.9 Ų47.912%0.11524%0.235CC..THydrogen-bonded Turntrans-78.3-19.3-169.1-65.3175.2000113.9L305 Y370 T638 V755L305-L640 HydrophobicContact CD1-CB 3.65Å; L305-L640 HydrophobicContact CD1-CD1 3.62Å; L305-L640 HydrophobicContact CD1-CG 4.27Å; L305-L640 HydrophobicContact CD2-CB 4.11Å; Y370-L640 HydrophobicContact CD1-CD2 4.06Å; T638-L640 PolarHBondContact OG1-N 2.61Å; L640-V755 HydrophobicContact CD1-CG1 4.4Å
641L57.7Low60.1Low8 Ų853.4 Ų53.44%0.04226%0.264CS..THydrogen-bonded Turntrans-85.3-9.4-171.7-104.3127.5000115.2L305 L326 T638 H639 R643 L644 L694 V696 F713L305-L641 HydrophobicContact CD2-CB 4.27Å; L305-L641 HydrophobicContact CD2-CD1 3.34Å; L305-L641 HydrophobicContact CD2-CD2 4.49Å; L305-L641 HydrophobicContact CD2-CG 3.4Å; L326-L641 HydrophobicContact CD1-CD1 3.87Å; T638-L641 HydrophobicContact CG2-CD1 3.86Å; H639-L641 PolarHBondContact O-N 3.1Å; L641-R643 PolarHBondContact O-N 3.39Å; L641-L644 HydrophobicContact CD2-CB 4.1Å; L641-L644 HydrophobicContact CD2-CD1 3.37Å; L641-L644 HydrophobicContact CD2-CG 4.37Å; L641-L644 HydrophobicContact CG-CD1 3.97Å; L641-L644 PolarHBondContact O-N 3.14Å; L641-L694 HydrophobicContact CB-CD2 3.19Å; L641-L694 HydrophobicContact CB-CG 4.47Å; L641-L694 HydrophobicContact CD1-CD2 3.54Å; L641-L694 HydrophobicContact CD2-CD2 3.77Å; L641-L694 HydrophobicContact CG-CD2 3.64Å; L641-V696 HydrophobicContact CD1-CG2 3.75Å; L641-F713 HydrophobicContact CD1-CD1 4.24Å; L641-F713 HydrophobicContact CD1-CE1 4.1Å; L641-F713 HydrophobicContact CD2-CD1 4.17Å; L641-F713 HydrophobicContact CD2-CD2 4.4Å; L641-F713 HydrophobicContact CD2-CE1 4.1Å; L641-F713 HydrophobicContact CD2-CE2 4.35Å; L641-F713 HydrophobicContact CD2-CG 4.32Å; L641-F713 HydrophobicContact CD2-CZ 4.2Å
642N51.9Low57.3Low45 Ų4555.7 Ų55.724%0.24128%0.28CS..Hα-helixtrans-54.3-23-176.4-74.7-14.1000113.9T692N642-T692 PolarHBondContact ND2-N 3.19Å; N642-T692 PolarHBondContact ND2-OG1 2.73Å; N642-T692 PolarHBondContact OD1-OG1 3.41Å
643R46.8Very low54.5Low120 Ų12060.9 Ų60.945%0.45330%0.3SS..Hα-helixtrans-79.2-19.8174.9-73.9-165-179.9173.2-2.8115.9L295 Y370 L641L295-R643 VanDerWaalsContact CD1-NH2 3.33Å; Y370-R643 WeakPolarHBondContact OH-CD 3.27Å; Y370-R643 VanDerWaalsContact OH-CZ 3.28Å; Y370-R643 PolarHBondContact OH-NE 2.83Å; Y370-R643 PolarHBondContact OH-NH1 2.96Å; L641-R643 PolarHBondContact O-N 3.39Å
644L45.7Very low51.6Low43 Ų4368 Ų6823%0.22533%0.333CS..Hα-helixtrans-72.2-36.7177.3-92158.7000111.3H327 L641 K648H327-L644 VanDerWaalsContact ND1-CD2 3.26Å; H327-L644 WeakPolarHBondContact ND1-CD2 3.34Å; L641-L644 HydrophobicContact CD2-CB 4.1Å; L641-L644 HydrophobicContact CD2-CD1 3.37Å; L641-L644 HydrophobicContact CD2-CG 4.37Å; L641-L644 HydrophobicContact CG-CD1 3.97Å; L641-L644 PolarHBondContact O-N 3.14Å; L644-K648 PolarHBondContact O-N 3.42Å
645D41.9Very low48.8Very low82 Ų8271.6 Ų71.644%0.43936%0.362SS..Hα-helixtrans-73.5-31.8175-85.1-23.4000112.3N647 K648 L649D645-N647 VanDerWaalsContact C-N 3.27Å; D645-N647 PolarHBondContact O-N 2.64Å; D645-K648 CarbonylContact O-C 3.54Å; D645-K648 PolarHBondContact O-N 2.93Å; D645-K648 VanDerWaalsContact O-N 3.08Å; D645-L649 HydrophobicContact CB-CD1 4.32Å; D645-L649 VanDerWaalsContact O-CB 3.28Å; D645-L649 WeakPolarHBondContact O-CB 3.33Å; D645-L649 WeakPolarHBondContact O-CG 3.33Å; D645-L649 PolarHBondContact O-N 3.36Å
646E39.7Very low45.9Very low126 Ų12677.6 Ų77.659%0.58939%0.394SS*.Hα-helixtrans-58-39.5172.9-76.4-173.3158.900112.2L649 S650E646-L649 PolarHBondContact O-N 3.18Å; E646-S650 WeakPolarHBondContact O-CB 3.31Å; E646-S650 PolarHBondContact O-N 3.32Å; E646-S650 PolarHBondContact O-OG 3.14Å
647N35.4Very low43.1Very low110 Ų11082.9 Ų82.959%0.58843%0.426SS*.Hα-helixtrans-70.2-29.5176.1-78.7-9.8000113.3D645 S650 L651D645-N647 VanDerWaalsContact C-N 3.27Å; D645-N647 PolarHBondContact O-N 2.64Å; N647-S650 WeakPolarHBondContact CA-OG 3.47Å; N647-S650 PolarHBondContact O-OG 3.44Å; N647-S650 VanDerWaalsContact O-OG 3.11Å; N647-L651 WeakPolarHBondContact O-CD1 3.39Å; N647-L651 WeakPolarHBondContact O-CG 3.18Å; N647-L651 PolarHBondContact O-N 2.93Å
648K35.9Very low40.3Very low121 Ų12190.9 Ų90.953%0.52646%0.462SS..Hα-helixtrans-78.3-35.8173.1-76.4-177.5177.8174.90111.9L644 D645 S652L644-K648 PolarHBondContact O-N 3.42Å; D645-K648 CarbonylContact O-C 3.54Å; D645-K648 PolarHBondContact O-N 2.93Å; D645-K648 VanDerWaalsContact O-N 3.08Å; K648-S652 PolarHBondContact O-N 2.53Å; K648-S652 VanDerWaalsContact O-N 3.07Å
649L27.6Very low37.7Very low105 Ų10598.3 Ų98.355%0.5550%0.502SS..Hα-helixtrans-73.2-36178.7-79.7159.9000111.7D645 E646 S652 R653D645-L649 HydrophobicContact CB-CD1 4.32Å; D645-L649 VanDerWaalsContact O-CB 3.28Å; D645-L649 WeakPolarHBondContact O-CB 3.33Å; D645-L649 WeakPolarHBondContact O-CG 3.33Å; D645-L649 PolarHBondContact O-N 3.36Å; E646-L649 PolarHBondContact O-N 3.18Å; L649-S652 WeakPolarHBondContact CA-OG 3.24Å; L649-S652 PolarHBondContact O-N 3.18Å; L649-S652 PolarHBondContact O-OG 2.7Å; L649-R653 PolarHBondContact O-N 3.3Å
650S25.3Very low35.6Very low55 Ų55101 Ų10139%0.38553%0.531SS..Hα-helixtrans-65.4-42172.957.30000111.9E646 N647 S652 R653 E654E646-S650 WeakPolarHBondContact O-CB 3.31Å; E646-S650 PolarHBondContact O-N 3.32Å; E646-S650 PolarHBondContact O-OG 3.14Å; N647-S650 WeakPolarHBondContact CA-OG 3.47Å; N647-S650 PolarHBondContact O-OG 3.44Å; N647-S650 VanDerWaalsContact O-OG 3.11Å; S650-S652 VanDerWaalsContact C-N 3.27Å; S650-S652 PolarHBondContact O-N 2.9Å; S650-R653 PolarHBondContact O-N 2.76Å; S650-E654 PolarHBondContact O-N 2.81Å
651L26.3Very low33.7Very low121 Ų121107.1 Ų107.163%0.63456%0.564SS**Hα-helixtrans-62.2-33.7172.1-77164.9000112.2N647N647-L651 WeakPolarHBondContact O-CD1 3.39Å; N647-L651 WeakPolarHBondContact O-CG 3.18Å; N647-L651 PolarHBondContact O-N 2.93Å
652S27.1Very low32.1Very low55 Ų55113.7 Ų113.739%0.38560%0.599SS.*Hα-helixtrans-77.4-26.9175.276.60000113.9K648 L649 S650K648-S652 PolarHBondContact O-N 2.53Å; K648-S652 VanDerWaalsContact O-N 3.07Å; L649-S652 WeakPolarHBondContact CA-OG 3.24Å; L649-S652 PolarHBondContact O-N 3.18Å; L649-S652 PolarHBondContact O-OG 2.7Å; S650-S652 VanDerWaalsContact C-N 3.27Å; S650-S652 PolarHBondContact O-N 2.9Å
653R25.3Very low30.9Very low194 Ų194117 Ų11773%0.73262%0.621SS**Hα-helixtrans-75.8-37.5176.2-93.7-176.4166.6179.6-2.7111.9L649 S650 A655 N656 V657L649-R653 PolarHBondContact O-N 3.3Å; S650-R653 PolarHBondContact O-N 2.76Å; R653-A655 PolarHBondContact O-N 3.05Å; R653-N656 PolarHBondContact O-N 2.81Å; R653-N656 VanDerWaalsContact O-N 3.08Å; R653-V657 WeakPolarHBondContact O-CG2 3.24Å; R653-V657 PolarHBondContact O-N 2.92Å
654E26Very low29.8Very low151 Ų151120.1 Ų120.171%0.70664%0.638SS**Hα-helixtrans-61.9-32.3173.4-74.7-176.9171.100112.1S650 N656S650-E654 PolarHBondContact O-N 2.81Å; E654-N656 VanDerWaalsContact C-N 3.3Å; E654-N656 PolarHBondContact O-N 3.38Å
655A29.5Very low28.8Very low75 Ų75122.7 Ų122.762%0.6266%0.659SS**Hα-helixtrans-70.1-22.4174.900000114R653R653-A655 PolarHBondContact O-N 3.05Å
656N27.3Very low27.9Very low140 Ų140125.9 Ų125.975%0.74968%0.676SS**Hα-helixtrans-109.82.6-172.9-84.6-17.9000115.4R653 E654R653-N656 PolarHBondContact O-N 2.81Å; R653-N656 VanDerWaalsContact O-N 3.08Å; E654-N656 VanDerWaalsContact C-N 3.3Å; E654-N656 PolarHBondContact O-N 3.38Å
657V30.5Very low27.3Very low117 Ų117127.8 Ų127.871%0.70969%0.69SS**SBendtrans-93.72.7177.51780000113.3R653 N659R653-V657 WeakPolarHBondContact O-CG2 3.24Å; R653-V657 PolarHBondContact O-N 2.92Å; V657-N659 VanDerWaalsContact C-N 3.29Å; V657-N659 PolarHBondContact O-N 3.46Å
658Q27.1Very low26.6Very low174 Ų174130.7 Ų130.781%0.81370%0.7SS**SBendtrans-802.5176.5-73.1-167.4-3.300115.8
659N28.1Very low26.2Very low160 Ų160131.2 Ų131.286%0.85672%0.716SS**  trans-13262.2-180-83.8-27000113.5V657V657-N659 VanDerWaalsContact C-N 3.29Å; V657-N659 PolarHBondContact O-N 3.46Å
660A27.5Very low26.1Very low96 Ų96133.5 Ų133.579%0.79373%0.728SS**  trans-14191.8157.700000109.7
661N24.6Very low25.9Very low151 Ų151136 Ų13681%0.80775%0.746SS**  trans-57.8147.5165.4-72.9-37.8000110.7
662N24.9Very low25.8Very low146 Ų146135.2 Ų135.278%0.78175%0.75SS**  trans97.4108.3156.8-62.6-22000119.5
663V26.1Very low25.5Very low116 Ų116137.8 Ų137.870%0.70377%0.768SS**  86.1107.2121.4178.60000118.3
664K24.4Very low25.6Very low185 Ų185134.9 Ų134.980%0.80477%0.772SS**  trans70.3111.3137.6-71.6178.7-176.1-179.80121.1
665S23.2Very low25.4Very low97 Ų97134.2 Ų134.268%0.67877%0.773SS**  50.1125.7124.565.60000121.9
666N23.2Very low25.1Very low148 Ų148138.8 Ų138.879%0.79179%0.787SS**  trans61.1112.8147.9-63.7-4000118.5
667D27.1Very low24.8Very low166 Ų166137.2 Ų137.289%0.88879%0.787SS**  -167138.7119.9-89.7-26.1000112.1
668H21.3Very low24.4Very low172 Ų172137.3 Ų137.380%0.79679%0.792SS**  trans-65.3138.9176.8-78.5-87.8000112.1L670H668-L670 PolarHBondContact O-N 2.85Å
669P28.5Very low24.1Very low131 Ų131140.1 Ų140.185%0.85180%0.797SS**  trans-78.899.1160.115-1.9000109
670L24.1Very low23.8Very low154 Ų154140.3 Ų140.381%0.80680%0.799SS**  trans-58.9137.5166.5-88140.2000111.2H668 S672H668-L670 PolarHBondContact O-N 2.85Å; L670-S672 PolarHBondContact O-N 2.9Å
671S21.1Very low23.4Very low108 Ų108139.6 Ų139.676%0.75580%0.8SS**  trans-38.6114.1163.751.80000114.1
672S24.6Very low23.3Very low104 Ų104136.2 Ų136.273%0.72779%0.788SS**  trans-91.599.9160.159.40000109.3L670 V674L670-S672 PolarHBondContact O-N 2.9Å; S672-V674 PolarHBondContact O-N 2.81Å
673S21.1Very low23.2Very low109 Ų109135.9 Ų135.976%0.76279%0.786SS**  trans-61.8108.416051.10000109
674V27.8Very low23.1Very low133 Ų133136.4 Ų136.481%0.80679%0.785SS**  trans-97112.9171.5-178.50000107.7S672S672-V674 PolarHBondContact O-N 2.81Å
675N21.9Very low23.1Very low137 Ų137136.7 Ų136.773%0.73378%0.782SS**  trans-53.4134.7-178.5-75-26.8000113.7S677N675-S677 PolarHBondContact O-N 2.81Å
676D22.2Very low23.4Very low170 Ų170135.1 Ų135.191%0.90977%0.769SS**  trans-64.7110.4153-80.3-41.3000110
677S21.3Very low23.8Very low108 Ų108130.9 Ų130.976%0.75575%0.746SS**  trans-17280.4152.260.50000112N675N675-S677 PolarHBondContact O-N 2.81Å
678S22.8Very low23.9Very low118 Ų118130.9 Ų130.983%0.82574%0.738SS**  trans-159.479.1149.565.30000110.3N680S678-N680 PolarHBondContact O-N 2.81Å
679Y20.7Very low24.7Very low233 Ų233127.9 Ų127.991%0.91473%0.728SS**  trans-65.8105.4153-99.4-100000107.8
680N20.4Very low25.3Very low165 Ų165125.1 Ų125.188%0.88272%0.723SS**  trans-172.7139.5148.2-96.4-19.4000110.3S678S678-N680 PolarHBondContact O-N 2.81Å
681G20.7Very low26.6Very low81 Ų81120.2 Ų120.284%0.83570%0.697SS**  trans-60.4139.9-160.800000116.7
682S22.1Very low28.5Very low79 Ų79117.8 Ų117.855%0.55268%0.678SS**  trans-175.5133.5149.8168.80000107.2N684S682-N684 PolarHBondContact O-N 3.06Å
683L22.7Very low30.9Very low140 Ų140113.5 Ų113.573%0.73365%0.648SS**SBendtrans-62.217.7178.9-98.2126.3000115Y685L683-Y685 VanDerWaalsContact C-N 3.26Å; L683-Y685 PolarHBondContact O-N 2.88Å; L683-Y685 VanDerWaalsContact O-N 3.1Å
684N23.4Very low33.9Very low126 Ų126108.7 Ų108.767%0.67461%0.613SS**G310 helixtrans-84.228.6-174.2-74.1-2.2000115.2S682 T686S682-N684 PolarHBondContact O-N 3.06Å; N684-T686 PolarHBondContact O-N 3.47Å
685Y25Very low36.9Very low191 Ų191102.3 Ų102.375%0.74958%0.575SS**G310 helixtrans-77.5-4.2175.6-96.7-82.9000114.2L683L683-Y685 VanDerWaalsContact C-N 3.26Å; L683-Y685 PolarHBondContact O-N 2.88Å; L683-Y685 VanDerWaalsContact O-N 3.1Å
686T28.8Very low40.2Very low65 Ų6595.8 Ų95.840%0.39954%0.54SS..G310 helixtrans-83.6-15.4-174.344.40000115.4S367 N684S367-T686 PolarHBondContact OG-O 3.39Å; N684-T686 PolarHBondContact O-N 3.47Å
687N31.7Very low43.5Very low58 Ų5887.7 Ų87.731%0.3150%0.497SS..SBendtrans-109.21.8-173.7-112.417.6000116.3D565 N689D565-N687 PolarHBondContact OD2-ND2 3.11Å; N687-N689 CarbonylContact O-C 3.6Å; N687-N689 PolarHBondContact O-N 3.24Å
688K29.6Very low46.8Very low167 Ų16782.6 Ų82.673%0.72646%0.461SS*.SBendtrans-66.8-23179.1-82.1-167.9178-179.30114.1G690K688-G690 PolarHBondContact O-N 3.28Å
689N37.4Very low49.9Very low109 Ų10977 Ų7758%0.58342%0.421SS*.SBendtrans-84.299.3163-72.4-12.2000106.2N687 L691N687-N689 CarbonylContact O-C 3.6Å; N687-N689 PolarHBondContact O-N 3.24Å; N689-L691 HydrophobicContact CB-CD1 4.14Å; N689-L691 HydrophobicContact CB-CG 3.98Å; N689-L691 PolarHBondContact O-N 3.34Å
690G42.9Very low53Low73 Ų7370.3 Ų70.375%0.75340%0.395SS*.  trans-6261.4172.200000112.2K688 T692K688-G690 PolarHBondContact O-N 3.28Å; G690-T692 PolarHBondContact O-N 2.7Å
691L50.9Low55.9Low50 Ų5062.6 Ų62.626%0.26235%0.353SS..  trans-74.195.2179.1-74168.7000107.4H639 N689 T693H639-L691 HydrophobicContact CB-CB 4.07Å; H639-L691 HydrophobicContact CB-CD1 4.41Å; H639-L691 PolarHBondContact CE1-O 2.95Å; H639-L691 PolarHBondContact ND1-O 2.92Å; N689-L691 HydrophobicContact CB-CD1 4.14Å; N689-L691 HydrophobicContact CB-CG 3.98Å; N689-L691 PolarHBondContact O-N 3.34Å; L691-T693 PolarHBondContact O-N 3.35Å
692T60.9Low58.3Low57 Ų5760 Ų6035%0.3532%0.321SS..  trans-48.4124.6171.739.60000111N642 G690 L694 H715N642-T692 PolarHBondContact ND2-N 3.19Å; N642-T692 PolarHBondContact ND2-OG1 2.73Å; N642-T692 PolarHBondContact OD1-OG1 3.41Å; G690-T692 PolarHBondContact O-N 2.7Å; T692-L694 PolarHBondContact O-N 3.04Å; T692-H715 WeakPolarHBondContact CB-CE1 3.49Å; T692-H715 VanDerWaalsContact CG2-CE1 3.41Å; T692-H715 WeakPolarHBondContact CG2-CE1 3.2Å; T692-H715 WeakPolarHBondContact CG2-NE2 3.48Å
693T74Confident60.1Low14 Ų1461.1 Ų61.19%0.08632%0.317CS..  trans-68.3126174.2-58.10000109L553 A637 H639 L691 H715 P716L553-T693 HydrophobicContact CD1-CG2 4.37Å; A637-T693 HydrophobicContact CB-CG2 3.75Å; H639-T693 PolarHBondContact CE1-OG1 3.33Å; L691-T693 PolarHBondContact O-N 3.35Å; T693-H715 PolarHBondContact O-CE1 2.86Å; T693-H715 PolarHBondContact O-ND1 3.44Å; T693-P716 HydrophobicContact CG2-CG 4.48Å; T693-P716 WeakPolarHBondContact O-CD 3.25Å
694L85Confident61.5Low8 Ų856.5 Ų56.54%0.04230%0.295CS..EExtended strand (participates in β ladder)trans-111.5129.4171.8-171.780.3000110.3A637 T638 L641 T692 F713 H714 H715A637-L694 CarbonylContact C-O 3.42Å; A637-L694 WeakPolarHBondContact CA-O 3.48Å; T638-L694 PolarHBondContact N-O 2.83Å; T638-L694 PolarHBondContact O-N 3.26Å; L641-L694 HydrophobicContact CB-CD2 3.19Å; L641-L694 HydrophobicContact CB-CG 4.47Å; L641-L694 HydrophobicContact CD1-CD2 3.54Å; L641-L694 HydrophobicContact CD2-CD2 3.77Å; L641-L694 HydrophobicContact CG-CD2 3.64Å; T692-L694 PolarHBondContact O-N 3.04Å; L694-F713 HydrophobicContact CD1-CB 4.28Å; L694-F713 HydrophobicContact CD2-CB 4.1Å; L694-F713 HydrophobicContact CD2-CD1 4.23Å; L694-F713 HydrophobicContact CD2-CG 4.37Å; L694-F713 HydrophobicContact CG-CB 4.49Å; L694-H714 WeakPolarHBondContact CD1-O 3.42Å; L694-H715 HydrophobicContact CD1-CB 4.06Å
695L89.7Confident63Low0 Ų059.5 Ų59.50%030%0.302CS..EExtended strand (participates in β ladder)trans-83.1129.5169.4-69172.8000110.4L553 M572 L624 V628 A637 L697 F713 H714 P716L553-L695 HydrophobicContact CD1-CD2 3.63Å; L553-L695 HydrophobicContact CD1-CG 4.44Å; L553-L695 HydrophobicContact CD2-CD1 3.76Å; L553-L695 HydrophobicContact CD2-CD2 4Å; L553-L695 HydrophobicContact CD2-CG 4.24Å; L553-L695 HydrophobicContact CG-CD2 4.4Å; M572-L695 HydrophobicContact CE-CD1 4Å; M572-L695 HydrophobicContact CE-CD2 4.07Å; L624-L695 HydrophobicContact CD2-CD1 4.31Å; V628-L695 HydrophobicContact CG1-CD1 3.94Å; A637-L695 HydrophobicContact CB-CD2 4.09Å; L695-L697 HydrophobicContact CB-CD2 4.46Å; L695-L697 HydrophobicContact CB-CG 4.39Å; L695-F713 WeakPolarHBondContact O-CA 3.47Å; L695-H714 HydrophobicContact CB-CB 4.25Å; L695-H714 WeakPolarHBondContact CB-O 3.2Å; L695-H714 PolarHBondContact N-O 2.81Å; L695-H714 PolarHBondContact O-N 2.93Å; L695-P716 HydrophobicContact CD1-CB 4.41Å; L695-P716 HydrophobicContact CD1-CG 4.05Å; L695-P716 HydrophobicContact CG-CG 4Å
696V91.4Very high64.4Low0 Ų057.9 Ų57.90%030%0.301CS..EExtended strand (participates in β ladder)trans-106.2118.7167.5-175.90000107.9L307 L326 C636 T638 L641 I711 F713 V755L307-V696 HydrophobicContact CD1-CB 4.43Å; L307-V696 HydrophobicContact CD1-CG1 3.97Å; L307-V696 HydrophobicContact CD2-CG1 4.05Å; L307-V696 HydrophobicContact CG-CG1 4.45Å; L326-V696 HydrophobicContact CD1-CG1 4.14Å; L326-V696 HydrophobicContact CD1-CG2 4.2Å; L326-V696 HydrophobicContact CD2-CG1 4.1Å; C636-V696 PolarHBondContact N-O 2.98Å; C636-V696 PolarHBondContact O-N 3.08Å; T638-V696 HydrophobicContact CG2-CG2 3.85Å; L641-V696 HydrophobicContact CD1-CG2 3.75Å; V696-I711 HydrophobicContact CG1-CG2 4.34Å; V696-F713 HydrophobicContact CG1-CD1 4.33Å; V696-F713 HydrophobicContact CG1-CE1 4.01Å; V696-F713 HydrophobicContact CG2-CD1 4.06Å; V696-F713 HydrophobicContact CG2-CE1 4.17Å; V696-V755 HydrophobicContact CB-CG2 4.25Å; V696-V755 HydrophobicContact CG2-CG2 3.93Å
697L91.3Very high66.3Low0 Ų058.9 Ų58.90%031%0.307CS..EExtended strand (participates in β ladder)trans-119.7109.7-175.3-54.5169.4000108.5V628 F631 V635 L695 I711 W712 H714 F729V628-L697 HydrophobicContact CG1-CD1 4.18Å; V628-L697 HydrophobicContact CG2-CD1 4.47Å; F631-L697 HydrophobicContact CB-CD2 4.4Å; F631-L697 HydrophobicContact CD1-CB 4.15Å; F631-L697 HydrophobicContact CD1-CD2 4.29Å; F631-L697 HydrophobicContact CD2-CB 4.1Å; F631-L697 HydrophobicContact CD2-CD1 4.27Å; F631-L697 HydrophobicContact CE1-CB 3.84Å; F631-L697 HydrophobicContact CE2-CB 3.79Å; F631-L697 HydrophobicContact CG-CB 4.27Å; F631-L697 HydrophobicContact CG-CD2 4.18Å; F631-L697 HydrophobicContact CZ-CB 3.65Å; V635-L697 HydrophobicContact CB-CD2 4.25Å; V635-L697 HydrophobicContact CG1-CD2 3.72Å; V635-L697 HydrophobicContact CG2-CD2 3.83Å; L695-L697 HydrophobicContact CB-CD2 4.46Å; L695-L697 HydrophobicContact CB-CG 4.39Å; L697-I711 CarbonylContact O-C 3.6Å; L697-I711 VanDerWaalsContact O-CA 3.26Å; L697-I711 WeakPolarHBondContact O-CA 3.45Å; L697-W712 HydrophobicContact CB-CB 4.25Å; L697-W712 HydrophobicContact CD1-CB 4.43Å; L697-W712 PolarHBondContact N-O 3.27Å; L697-W712 PolarHBondContact O-N 2.83Å; L697-H714 HydrophobicContact CD1-CB 4.44Å; L697-F729 HydrophobicContact CD1-CD2 4.39Å; L697-F729 HydrophobicContact CD1-CE2 3.72Å; L697-F729 HydrophobicContact CD1-CZ 4.29Å
698A90.8Very high68.7Low0 Ų057.8 Ų57.80%030%0.302CS..EExtended strand (participates in β ladder)trans-118.9115.4177.200000110.9L307 L634 G710 I711 L746L307-A698 HydrophobicContact CD2-CB 3.41Å; L307-A698 VanDerWaalsContact CD2-CB 3.41Å; L634-A698 HydrophobicContact CB-CB 4.25Å; L634-A698 PolarHBondContact N-O 3.25Å; L634-A698 PolarHBondContact O-N 3.44Å; A698-G710 WeakPolarHBondContact CA-O 3.37Å; A698-I711 HydrophobicContact CB-CG1 3.97Å; A698-L746 HydrophobicContact CB-CD1 4.46Å
699G89.3Confident71.5Confident0 Ų050.5 Ų50.50%027%0.272CS..EExtended strand (participates in β ladder)trans148.4-127.3-171.400000111.5R632 S709 G710 W712R632-G699 WeakPolarHBondContact O-CA 3.46Å; G699-S709 CarbonylContact O-C 3.57Å; G699-S709 WeakPolarHBondContact O-CA 3.11Å; G699-S709 WeakPolarHBondContact O-CB 3.5Å; G699-G710 PolarHBondContact N-O 2.71Å; G699-G710 PolarHBondContact O-N 3.26Å; G699-W712 WeakPolarHBondContact O-CZ3 3.39Å
700R85.6Confident74Confident93 Ų9345.3 Ų45.335%0.35124%0.244SC..EExtended strand (participates in β ladder)trans-141.6146.7176.863.9178.4-180156.81.2112.3F631 R632F631-R700 VanDerWaalsContact CE2-C 3.48Å; R632-R700 HydrophobicContact CB-CG 4.05Å; R632-R700 PolarHBondContact N-O 2.88Å; R632-R700 PolarHBondContact O-N 3.37Å
701P81.6Confident76.4Confident3 Ų341.9 Ų41.92%0.01921%0.209CC..  trans-59.1147.3166.7-20.733.1000111.2K627 F631 W712 F729K627-P701 HydrophobicContact CB-CB 4.35Å; F631-P701 HydrophobicContact CE2-CG 4.34Å; P701-W712 HydrophobicContact CG-CH2 4.2Å; P701-W712 HydrophobicContact CG-CZ2 4.2Å; P701-F729 HydrophobicContact CG-CE1 4.27Å; P701-F729 HydrophobicContact CG-CZ 4.29Å
702D70.8Confident78.4Confident28 Ų2839.7 Ų39.715%0.1520%0.197CC..THydrogen-bonded Turntrans-75.6155.7170.4-151.1-11.9000110.5S576 G630 R632 T704S576-D702 WeakPolarHBondContact CB-OD2 3.48Å; S576-D702 PolarHBondContact OG-OD2 2.85Å; G630-D702 WeakPolarHBondContact O-CB 3.31Å; R632-D702 HydrophobicContact CG-CB 4.36Å; R632-D702 IonicContact CZ-OD2 3.52Å; R632-D702 IonicContact NE-OD2 3.04Å; R632-D702 PolarHBondContact NE-OD2 3.41Å; R632-D702 VanDerWaalsContact NE-OD2 3.07Å; R632-D702 IonicContact NH2-OD2 2.7Å; R632-D702 PolarHBondContact NH2-OD2 2.96Å; D702-T704 PolarHBondContact O-N 3.46Å
703Q59.2Low79.8Confident102 Ų10239 Ų3948%0.47719%0.189SC..THydrogen-bonded Turntrans71.46.8173.5-57.2-178.5-14.100119.5S576S576-Q703 PolarHBondContact O-NE2 3.34Å; S576-Q703 VanDerWaalsContact O-NE2 3.15Å
704T51.6Low80.5Confident42 Ų4238.6 Ų38.626%0.25819%0.186SC..  trans-90.3127.2175.360.50000113D702 H706D702-T704 PolarHBondContact O-N 3.46Å; T704-H706 VanDerWaalsContact CB-O 3.24Å; T704-H706 WeakPolarHBondContact CB-O 3.41Å; T704-H706 PolarHBondContact O-N 3.42Å; T704-H706 PolarHBondContact OG1-O 2.61Å
705K54.6Low80.6Confident190 Ų19040.8 Ų40.883%0.82620%0.196SC*.SBendtrans-60-30.3168.1-70.2-179.1-177.1170.20112
706H55.7Low80.5Confident157 Ų15740.9 Ų40.973%0.72720%0.197SC*.SBendtrans-94.5112.6172.3-63.9-65.7000109.6T704 T708T704-H706 VanDerWaalsContact CB-O 3.24Å; T704-H706 WeakPolarHBondContact CB-O 3.41Å; T704-H706 PolarHBondContact O-N 3.42Å; T704-H706 PolarHBondContact OG1-O 2.61Å; H706-T708 PolarHBondContact O-N 3.46Å
707V68.2Low80.1Confident86 Ų8644 Ų4452%0.52121%0.212SC..  trans-85.977.4-174.3-171.40000109.5
708T81.9Confident79.7Confident34 Ų3446.1 Ų46.121%0.20923%0.229CC..  trans-75.7125.3165-54.70000108.3H706 W712 P734 F737H706-T708 PolarHBondContact O-N 3.46Å; T708-W712 HydrophobicContact CG2-CZ2 4.26Å; T708-P734 HydrophobicContact CG2-CG 4.06Å; T708-F737 HydrophobicContact CG2-CD1 4.38Å; T708-F737 HydrophobicContact CG2-CE1 3.88Å
709S87.7Confident79.1Confident15 Ų1546.5 Ų46.511%0.10523%0.232CC..  trans-122.6135.5178.155.80000111.1G699 L738 A743G699-S709 CarbonylContact O-C 3.57Å; G699-S709 WeakPolarHBondContact O-CA 3.11Å; G699-S709 WeakPolarHBondContact O-CB 3.5Å; S709-L738 PolarHBondContact O-N 2.89Å; S709-A743 WeakPolarHBondContact OG-CB 3.11Å
710G91.6Very high78.3Confident0 Ų051.4 Ų51.40%026%0.258CS..EExtended strand (participates in β ladder)trans-173.8-172.9-168.500000113.5A698 G699 W712 Y736A698-G710 WeakPolarHBondContact CA-O 3.37Å; G699-G710 PolarHBondContact N-O 2.71Å; G699-G710 PolarHBondContact O-N 3.26Å; G710-W712 VanDerWaalsContact N-CZ3 3.33Å; G710-W712 WeakPolarHBondContact O-CZ3 3.37Å; G710-Y736 CarbonylContact C-O 3.58Å; G710-Y736 WeakPolarHBondContact CA-O 3.38Å
711I92.7Very high77Confident0 Ų052.6 Ų52.60%028%0.281CS..EExtended strand (participates in β ladder)trans-110.4123.6169.1-54.3177.6000107.2F324 L326 V696 L697 A698 F713 N735 Y736 L738F324-I711 HydrophobicContact CB-CD1 3.83Å; F324-I711 HydrophobicContact CD1-CD1 3.89Å; F324-I711 HydrophobicContact CG-CD1 4.07Å; L326-I711 HydrophobicContact CD2-CG2 4.15Å; V696-I711 HydrophobicContact CG1-CG2 4.34Å; L697-I711 CarbonylContact O-C 3.6Å; L697-I711 VanDerWaalsContact O-CA 3.26Å; L697-I711 WeakPolarHBondContact O-CA 3.45Å; A698-I711 HydrophobicContact CB-CG1 3.97Å; I711-F713 HydrophobicContact CG2-CE1 4.06Å; I711-F713 HydrophobicContact CG2-CZ 4.2Å; I711-N735 WeakPolarHBondContact O-CB 3.05Å; I711-N735 PolarHBondContact O-N 3.03Å; I711-Y736 HydrophobicContact CB-CD2 4.2Å; I711-Y736 HydrophobicContact CD1-CD2 4.4Å; I711-Y736 HydrophobicContact CG2-CD2 4.47Å; I711-Y736 PolarHBondContact N-O 2.78Å; I711-Y736 PolarHBondContact O-N 2.94Å; I711-L738 HydrophobicContact CD1-CD2 4.16Å; I711-L738 HydrophobicContact CG1-CD1 4.49Å; I711-L738 HydrophobicContact CG1-CD2 3.96Å; I711-L738 HydrophobicContact CG1-CG 4.25Å
712W92.4Very high75.8Confident5 Ų556.7 Ų56.72%0.01931%0.309CS..EExtended strand (participates in β ladder)trans-113.7146172.8-65.3-102.9000110.5F631 L697 G699 P701 T708 G710 F729 D730 S731 P734 N735F631-W712 HydrophobicContact CE2-CD2 4.47Å; F631-W712 AromaticContact CE2-CE3 3.63Å; F631-W712 HydrophobicContact CE2-CE3 3.63Å; F631-W712 AromaticContact CE2-CZ3 3.68Å; F631-W712 HydrophobicContact CE2-CZ3 3.68Å; F631-W712 AromaticContact CZ-CE3 3.74Å; F631-W712 HydrophobicContact CZ-CE3 3.74Å; F631-W712 AromaticContact CZ-CZ3 3.7Å; F631-W712 HydrophobicContact CZ-CZ3 3.7Å; L697-W712 HydrophobicContact CB-CB 4.25Å; L697-W712 HydrophobicContact CD1-CB 4.43Å; L697-W712 PolarHBondContact N-O 3.27Å; L697-W712 PolarHBondContact O-N 2.83Å; G699-W712 WeakPolarHBondContact O-CZ3 3.39Å; P701-W712 HydrophobicContact CG-CH2 4.2Å; P701-W712 HydrophobicContact CG-CZ2 4.2Å; T708-W712 HydrophobicContact CG2-CZ2 4.26Å; G710-W712 VanDerWaalsContact N-CZ3 3.33Å; G710-W712 WeakPolarHBondContact O-CZ3 3.37Å; W712-F729 HydrophobicContact CB-CE2 3.74Å; W712-F729 AromaticContact CD1-CE2 3.56Å; W712-F729 AromaticContact CD1-CZ 3.95Å; W712-F729 HydrophobicContact CD2-CE2 4.25Å; W712-F729 HydrophobicContact CD2-CZ 4.21Å; W712-F729 AromaticContact CG-CE2 3.6Å; W712-F729 HydrophobicContact CG-CE2 3.6Å; W712-F729 HydrophobicContact CG-CZ 4.02Å; W712-D730 PolarHBondContact NE1-O 2.8Å; W712-S731 WeakPolarHBondContact CZ2-O 3.36Å; W712-P734 HydrophobicContact CD2-CB 3.95Å; W712-P734 HydrophobicContact CE3-CB 4.39Å; W712-P734 HydrophobicContact CG-CB 4.47Å; W712-P734 HydrophobicContact CH2-CB 4.15Å; W712-P734 HydrophobicContact CZ2-CB 3.7Å; W712-P734 HydrophobicContact CZ2-CG 4.11Å; W712-P734 HydrophobicContact CZ3-CB 4.48Å; W712-N735 WeakPolarHBondContact CA-OD1 3.42Å
713F91Very high75.1Confident42 Ų4258.1 Ų58.118%0.18432%0.317CS..EExtended strand (participates in β ladder)trans-108.8123.7164.7-56.1-50.5000108.3L326 L641 L694 L695 V696 I711 N735 Y736L326-F713 HydrophobicContact CB-CE1 4.23Å; L326-F713 HydrophobicContact CB-CZ 3.9Å; L326-F713 HydrophobicContact CD1-CE1 4.23Å; L326-F713 HydrophobicContact CD2-CE1 3.95Å; L326-F713 HydrophobicContact CD2-CZ 4.05Å; L326-F713 HydrophobicContact CG-CE1 4.37Å; L326-F713 HydrophobicContact CG-CZ 4.43Å; L641-F713 HydrophobicContact CD1-CD1 4.24Å; L641-F713 HydrophobicContact CD1-CE1 4.1Å; L641-F713 HydrophobicContact CD2-CD1 4.17Å; L641-F713 HydrophobicContact CD2-CD2 4.4Å; L641-F713 HydrophobicContact CD2-CE1 4.1Å; L641-F713 HydrophobicContact CD2-CE2 4.35Å; L641-F713 HydrophobicContact CD2-CG 4.32Å; L641-F713 HydrophobicContact CD2-CZ 4.2Å; L694-F713 HydrophobicContact CD1-CB 4.28Å; L694-F713 HydrophobicContact CD2-CB 4.1Å; L694-F713 HydrophobicContact CD2-CD1 4.23Å; L694-F713 HydrophobicContact CD2-CG 4.37Å; L694-F713 HydrophobicContact CG-CB 4.49Å; L695-F713 WeakPolarHBondContact O-CA 3.47Å; V696-F713 HydrophobicContact CG1-CD1 4.33Å; V696-F713 HydrophobicContact CG1-CE1 4.01Å; V696-F713 HydrophobicContact CG2-CD1 4.06Å; V696-F713 HydrophobicContact CG2-CE1 4.17Å; I711-F713 HydrophobicContact CG2-CE1 4.06Å; I711-F713 HydrophobicContact CG2-CZ 4.2Å; F713-N735 HydrophobicContact CD2-CB 3.92Å; F713-N735 VanDerWaalsContact CD2-CG 3.43Å; F713-N735 HydrophobicContact CE2-CB 3.92Å; F713-N735 PolarHBondContact N-OD1 3.44Å; F713-Y736 HydrophobicContact CE2-CD2 4.5Å; F713-Y736 AromaticContact CE2-CE2 3.78Å; F713-Y736 HydrophobicContact CE2-CE2 3.78Å; F713-Y736 AromaticContact CZ-CE2 3.92Å; F713-Y736 HydrophobicContact CZ-CE2 3.92Å
714H88.7Confident75Confident6 Ų663.2 Ų63.23%0.02834%0.337CS..EExtended strand (participates in β ladder)trans-127.8128.4178.6-173.961.7000110.2N623 L694 L695 L697 P716 F729N623-H714 PolarHBondContact O-CE1 3.31Å; N623-H714 PolarHBondContact O-NE2 3.44Å; L694-H714 WeakPolarHBondContact CD1-O 3.42Å; L695-H714 HydrophobicContact CB-CB 4.25Å; L695-H714 WeakPolarHBondContact CB-O 3.2Å; L695-H714 PolarHBondContact N-O 2.81Å; L695-H714 PolarHBondContact O-N 2.93Å; L697-H714 HydrophobicContact CD1-CB 4.44Å; H714-P716 WeakPolarHBondContact O-CD 3.31Å; H714-F729 HydrophobicContact CB-CD2 4.29Å
715H87Confident75.7Confident53 Ų5367.6 Ų67.625%0.24536%0.364CS..  trans-97.195.8175.8-178.139.1000110N623 T692 T693 L694 Q717N623-H715 PolarHBondContact ND2-O 3.33Å; N623-H715 PolarHBondContact OD1-O 2.87Å; T692-H715 WeakPolarHBondContact CB-CE1 3.49Å; T692-H715 VanDerWaalsContact CG2-CE1 3.41Å; T692-H715 WeakPolarHBondContact CG2-CE1 3.2Å; T692-H715 WeakPolarHBondContact CG2-NE2 3.48Å; T693-H715 PolarHBondContact O-CE1 2.86Å; T693-H715 PolarHBondContact O-ND1 3.44Å; L694-H715 HydrophobicContact CD1-CB 4.06Å; H715-Q717 PolarHBondContact O-N 2.94Å
716P86.4Confident76.6Confident3 Ų359.4 Ų59.42%0.01933%0.33CS..  trans-68.3126.5175.928.5-37.9000111.7L553 I555 N623 L624 T693 L695 H714L553-P716 HydrophobicContact CD2-CB 4.37Å; L553-P716 HydrophobicContact CD2-CG 4.32Å; I555-P716 HydrophobicContact CD1-CB 3.56Å; I555-P716 HydrophobicContact CD1-CG 4.42Å; I555-P716 HydrophobicContact CG1-CB 4.07Å; I555-P716 HydrophobicContact CG1-CG 4.42Å; N623-P716 WeakPolarHBondContact OD1-CA 3.36Å; L624-P716 HydrophobicContact CD2-CB 3.98Å; L624-P716 HydrophobicContact CG-CB 4.32Å; T693-P716 HydrophobicContact CG2-CG 4.48Å; T693-P716 WeakPolarHBondContact O-CD 3.25Å; L695-P716 HydrophobicContact CD1-CB 4.41Å; L695-P716 HydrophobicContact CD1-CG 4.05Å; L695-P716 HydrophobicContact CG-CG 4Å; H714-P716 WeakPolarHBondContact O-CD 3.31Å
717Q84.6Confident77.6Confident65 Ų6555.5 Ų55.530%0.30433%0.325SS..  trans-147.9150.8177.463.6-178.210.100111.8F622 N623 H715 C719 V726F622-Q717 WeakPolarHBondContact CA-O 3.48Å; N623-Q717 PolarHBondContact N-O 2.85Å; N623-Q717 PolarHBondContact OD1-N 2.9Å; N623-Q717 PolarHBondContact OD1-O 2.86Å; H715-Q717 PolarHBondContact O-N 2.94Å; Q717-C719 PolarHBondContact O-SG 2.82Å; Q717-C719 VanDerWaalsContact O-SG 3.42Å; Q717-V726 HydrophobicContact CG-CG1 4.34Å
718A82.9Confident78.3Confident45 Ų4554.7 Ų54.737%0.37232%0.317SS..BIsolated β-bridgetrans-65.2142.7164.900000109.4C557 F622C557-A718 HydrophobicContact CB-CB 4.28Å; C557-A718 VanDerWaalsContact SG-CB 3.58Å; F622-A718 HydrophobicContact CD1-CB 4.14Å; F622-A718 HydrophobicContact CE1-CB 3.78Å; F622-A718 HydrophobicContact CZ-CB 4.3Å
719C78Confident78.4Confident8 Ų854.3 Ų54.35%0.05431%0.313CS..  trans-127.4141-176.6-58.50000109.5V599 T621 Q717V599-C719 HydrophobicContact CG2-CB 3.48Å; V599-C719 VanDerWaalsContact CG2-CB 3.48Å; V599-C719 VanDerWaalsContact CG2-SG 3.53Å; T621-C719 HydrophobicContact CG2-CB 4.44Å; T621-C719 PolarHBondContact O-N 3.02Å; Q717-C719 PolarHBondContact O-SG 2.82Å; Q717-C719 VanDerWaalsContact O-SG 3.42Å
720N71.1Confident78.3Confident102 Ų10257.2 Ų57.255%0.54533%0.327SS..  trans-78.5147.3162.7-65.6-28.4000108.4S722 D723N720-S722 PolarHBondContact O-N 2.92Å; N720-D723 PolarHBondContact N-OD2 2.84Å; N720-D723 PolarHBondContact O-N 2.87Å
721S58.6Low77.9Confident119 Ų11957.6 Ų57.683%0.83233%0.33SS*.THydrogen-bonded Turntrans-56.5-14.2-178.152.80000114.3
722S56.7Low77.6Confident88 Ų8864.6 Ų64.662%0.61536%0.363SS*.THydrogen-bonded Turntrans-95.3-7.5179.655.50000115.9N720 K724N720-S722 PolarHBondContact O-N 2.92Å; S722-K724 PolarHBondContact O-N 3.37Å
723D56.8Low77.3Confident58 Ų5871.6 Ų71.631%0.3139%0.393SS..  trans-79.785.5-167.7-65.4-28.6000112.7N720 T725 V726N720-D723 PolarHBondContact N-OD2 2.84Å; N720-D723 PolarHBondContact O-N 2.87Å; D723-T725 PolarHBondContact O-N 3.02Å; D723-T725 VanDerWaalsContact O-N 3.16Å; D723-V726 HydrophobicContact CB-CG2 3.6Å
724K56.1Low77.3Confident209 Ų20970 Ų7091%0.90939%0.387SS*.THydrogen-bonded Turntrans-64.5-11173.6-69.8-173.1179.1-179.20114.3S722S722-K724 PolarHBondContact O-N 3.37Å
725T66.8Low77.4Confident134 Ų13472.8 Ų72.882%0.82240%0.402SS*.THydrogen-bonded Turntrans-94.8-1.2-174.9520000114D723 A727D723-T725 PolarHBondContact O-N 3.02Å; D723-T725 VanDerWaalsContact O-N 3.16Å; T725-A727 PolarHBondContact O-N 3.26Å
726V73Confident77.7Confident18 Ų1872.5 Ų72.511%0.10940%0.399CS..PPolyproline II helixtrans-76.8127.1-177.5178.70000110.7N623 Q717 D723 L728N623-V726 HydrophobicContact CB-CG1 3.53Å; N623-V726 WeakPolarHBondContact ND2-CG1 3.35Å; Q717-V726 HydrophobicContact CG-CG1 4.34Å; D723-V726 HydrophobicContact CB-CG2 3.6Å; V726-L728 PolarHBondContact O-N 3.48Å
727A76.5Confident78Confident76 Ų7679.2 Ų79.263%0.62843%0.429SS*.PPolyproline II helixtrans-63.4124.717200000110.3N623 T725N623-A727 PolarHBondContact ND2-O 3.11Å; N623-A727 VanDerWaalsContact ND2-O 3.15Å; T725-A727 PolarHBondContact O-N 3.26Å
728L83.1Confident78.1Confident68 Ų6876.7 Ų76.736%0.35642%0.417SS..PPolyproline II helixtrans-100.6152.1178.7-61175.6000110.5V599 Q600 N623 V726 D730V599-L728 HydrophobicContact CB-CD2 4.01Å; V599-L728 HydrophobicContact CG1-CD2 4.05Å; Q600-L728 HydrophobicContact CB-CD1 4.35Å; Q600-L728 HydrophobicContact CG-CD1 3.64Å; Q600-L728 VanDerWaalsContact OE1-CD1 3.23Å; N623-L728 HydrophobicContact CB-CD2 4.37Å; V726-L728 PolarHBondContact O-N 3.48Å; L728-D730 PolarHBondContact O-N 3.17Å
729F85.6Confident78.3Confident27 Ų2777.6 Ų77.612%0.11842%0.419CS..  trans-73112.1178.6-178.8-102.2000111.2K627 V628 L697 P701 W712 H714K627-F729 HydrophobicContact CB-CD1 4.49Å; K627-F729 HydrophobicContact CB-CE1 4.28Å; V628-F729 HydrophobicContact CG2-CB 3.84Å; V628-F729 HydrophobicContact CG2-CD1 3.56Å; V628-F729 HydrophobicContact CG2-CD2 3.67Å; V628-F729 HydrophobicContact CG2-CE1 3.98Å; V628-F729 HydrophobicContact CG2-CE2 4.09Å; V628-F729 HydrophobicContact CG2-CG 3.38Å; V628-F729 HydrophobicContact CG2-CZ 4.23Å; L697-F729 HydrophobicContact CD1-CD2 4.39Å; L697-F729 HydrophobicContact CD1-CE2 3.72Å; L697-F729 HydrophobicContact CD1-CZ 4.29Å; P701-F729 HydrophobicContact CG-CE1 4.27Å; P701-F729 HydrophobicContact CG-CZ 4.29Å; W712-F729 HydrophobicContact CB-CE2 3.74Å; W712-F729 AromaticContact CD1-CE2 3.56Å; W712-F729 AromaticContact CD1-CZ 3.95Å; W712-F729 HydrophobicContact CD2-CE2 4.25Å; W712-F729 HydrophobicContact CD2-CZ 4.21Å; W712-F729 AromaticContact CG-CE2 3.6Å; W712-F729 HydrophobicContact CG-CE2 3.6Å; W712-F729 HydrophobicContact CG-CZ 4.02Å; H714-F729 HydrophobicContact CB-CD2 4.29Å
730D85.4Confident78.5Confident75 Ų7581.1 Ų81.140%0.40145%0.449SS..  trans-95.4105.2173.6-176.1-8.1000111.3W712 L728 Q732 K733W712-D730 PolarHBondContact NE1-O 2.8Å; L728-D730 PolarHBondContact O-N 3.17Å; D730-Q732 PolarHBondContact O-N 3.02Å; D730-Q732 WeakPolarHBondContact OD1-CB 3.36Å; D730-Q732 PolarHBondContact OD1-N 3.05Å; D730-K733 HydrophobicContact CB-CB 4.21Å; D730-K733 PolarHBondContact O-N 2.91Å; D730-K733 PolarHBondContact OD1-N 2.77Å; D730-K733 WeakPolarHBondContact OD2-CB 3.11Å
731S83.5Confident78.9Confident8 Ų878.2 Ų78.26%0.05644%0.439CS..THydrogen-bonded Turntrans-64.5-19.9178.257.40000114.9K627 W712K627-S731 PolarHBondContact NZ-OG 3.01Å; W712-S731 WeakPolarHBondContact CZ2-O 3.36Å
732Q84.8Confident80Confident147 Ų14772.7 Ų72.769%0.68740%0.4SS*.THydrogen-bonded Turntrans-91.3-17.9-178.7-60.3-174.13.700112.6D730 P734D730-Q732 PolarHBondContact O-N 3.02Å; D730-Q732 WeakPolarHBondContact OD1-CB 3.36Å; D730-Q732 PolarHBondContact OD1-N 3.05Å; Q732-P734 VanDerWaalsContact O-CD 3.26Å; Q732-P734 WeakPolarHBondContact O-CD 3.27Å
733K86.7Confident81.1Confident153 Ų15369 Ų6967%0.66538%0.375SS*.  trans-12077.1-173.4-166.4-179.4-178.6179.60111.9D730D730-K733 HydrophobicContact CB-CB 4.21Å; D730-K733 PolarHBondContact O-N 2.91Å; D730-K733 PolarHBondContact OD1-N 2.77Å; D730-K733 WeakPolarHBondContact OD2-CB 3.11Å
734P90.6Very high82.2Confident7 Ų772.5 Ų72.55%0.04539%0.389CS..  trans-61.7152.7168.228-33.8000110.8T708 W712 Q732 Y736 F737T708-P734 HydrophobicContact CG2-CG 4.06Å; W712-P734 HydrophobicContact CD2-CB 3.95Å; W712-P734 HydrophobicContact CE3-CB 4.39Å; W712-P734 HydrophobicContact CG-CB 4.47Å; W712-P734 HydrophobicContact CH2-CB 4.15Å; W712-P734 HydrophobicContact CZ2-CB 3.7Å; W712-P734 HydrophobicContact CZ2-CG 4.11Å; W712-P734 HydrophobicContact CZ3-CB 4.48Å; Q732-P734 VanDerWaalsContact O-CD 3.26Å; Q732-P734 WeakPolarHBondContact O-CD 3.27Å; P734-Y736 VanDerWaalsContact C-N 3.25Å; P734-Y736 PolarHBondContact O-N 2.82Å; P734-F737 HydrophobicContact CG-CD1 3.62Å; P734-F737 HydrophobicContact CG-CD2 4.11Å; P734-F737 HydrophobicContact CG-CE1 3.57Å; P734-F737 HydrophobicContact CG-CE2 4.05Å; P734-F737 HydrophobicContact CG-CG 3.9Å; P734-F737 HydrophobicContact CG-CZ 3.79Å
735N91.8Very high83.3Confident66 Ų6663.5 Ų63.535%0.35335%0.352SS..SBendtrans-63-37.8169.8-64.988.3000110.9I711 W712 F713I711-N735 WeakPolarHBondContact O-CB 3.05Å; I711-N735 PolarHBondContact O-N 3.03Å; W712-N735 WeakPolarHBondContact CA-OD1 3.42Å; F713-N735 HydrophobicContact CD2-CB 3.92Å; F713-N735 VanDerWaalsContact CD2-CG 3.43Å; F713-N735 HydrophobicContact CE2-CB 3.92Å; F713-N735 PolarHBondContact N-OD1 3.44Å
736Y92.5Very high83.9Confident47 Ų4757.4 Ų57.418%0.18431%0.314CS..EExtended strand (participates in β ladder)trans-137.8128.6174.3-49.8-69.2000110.4L326 H327 N328 G710 I711 F713 P734L326-Y736 VanDerWaalsContact O-CE2 3.28Å; L326-Y736 WeakPolarHBondContact O-CE2 3.34Å; L326-Y736 PolarHBondContact O-OH 3.22Å; H327-Y736 PolarHBondContact O-OH 3.25Å; N328-Y736 VanDerWaalsContact C-CE1 3.42Å; G710-Y736 CarbonylContact C-O 3.58Å; G710-Y736 WeakPolarHBondContact CA-O 3.38Å; I711-Y736 HydrophobicContact CB-CD2 4.2Å; I711-Y736 HydrophobicContact CD1-CD2 4.4Å; I711-Y736 HydrophobicContact CG2-CD2 4.47Å; I711-Y736 PolarHBondContact N-O 2.78Å; I711-Y736 PolarHBondContact O-N 2.94Å; F713-Y736 HydrophobicContact CE2-CD2 4.5Å; F713-Y736 AromaticContact CE2-CE2 3.78Å; F713-Y736 HydrophobicContact CE2-CE2 3.78Å; F713-Y736 AromaticContact CZ-CE2 3.92Å; F713-Y736 HydrophobicContact CZ-CE2 3.92Å; P734-Y736 VanDerWaalsContact C-N 3.25Å; P734-Y736 PolarHBondContact O-N 2.82Å
737F92Very high83.8Confident144 Ų14457.1 Ų57.163%0.63232%0.315SS*.EExtended strand (participates in β ladder)trans-73.8138.5175-72.3-89.8000110.9T708 P734T708-F737 HydrophobicContact CG2-CD1 4.38Å; T708-F737 HydrophobicContact CG2-CE1 3.88Å; P734-F737 HydrophobicContact CG-CD1 3.62Å; P734-F737 HydrophobicContact CG-CD2 4.11Å; P734-F737 HydrophobicContact CG-CE1 3.57Å; P734-F737 HydrophobicContact CG-CE2 4.05Å; P734-F737 HydrophobicContact CG-CG 3.9Å; P734-F737 HydrophobicContact CG-CZ 3.79Å
738L88.6Confident83.5Confident12 Ų1259.6 Ų59.66%0.06331%0.314CS..PPolyproline II helixtrans-94.7139.6175.6-70.9178.4000110.9F324 S709 I711 I742 L746F324-L738 HydrophobicContact CD1-CD2 3.96Å; F324-L738 HydrophobicContact CE1-CD2 3.59Å; S709-L738 PolarHBondContact O-N 2.89Å; I711-L738 HydrophobicContact CD1-CD2 4.16Å; I711-L738 HydrophobicContact CG1-CD1 4.49Å; I711-L738 HydrophobicContact CG1-CD2 3.96Å; I711-L738 HydrophobicContact CG1-CG 4.25Å; L738-I742 HydrophobicContact CB-CG2 4.45Å; L738-I742 HydrophobicContact CD1-CG2 4.29Å; L738-I742 HydrophobicContact CD2-CG2 4.25Å; L738-L746 HydrophobicContact CD1-CD1 3.83Å
739P85.4Confident82.7Confident64 Ų6460.7 Ų60.742%0.41631%0.314SS..PPolyproline II helixtrans-52.4140.1168.7-25.232.1000112.1Y331 A741 I742 A743Y331-P739 HydrophobicContact CD1-CG 4.43Å; Y331-P739 HydrophobicContact CE1-CG 4.14Å; P739-A741 PolarHBondContact O-N 2.85Å; P739-A741 VanDerWaalsContact O-N 3.09Å; P739-I742 HydrophobicContact CB-CB 4.48Å; P739-I742 HydrophobicContact CB-CD1 4.2Å; P739-I742 HydrophobicContact CB-CG1 4.22Å; P739-I742 HydrophobicContact CG-CD1 3.84Å; P739-I742 HydrophobicContact CG-CG1 4.4Å; P739-I742 WeakPolarHBondContact O-CB 3.35Å; P739-I742 PolarHBondContact O-N 2.88Å; P739-A743 PolarHBondContact O-N 2.81Å
740A82Confident81.9Confident82 Ų8262.1 Ų62.168%0.67832%0.322SS*.Hα-helixtrans-53.4-37.8-175.800000113.4I742 A743 Q744A740-I742 VanDerWaalsContact C-N 3.32Å; A740-I742 PolarHBondContact O-N 3.41Å; A740-A743 WeakPolarHBondContact O-CB 2.95Å; A740-A743 PolarHBondContact O-N 2.89Å; A740-Q744 PolarHBondContact O-N 3.08Å
741A79.7Confident81.3Confident40 Ų4058.6 Ų58.633%0.33130%0.304SS..Hα-helixtrans-75.2-20.3-177.900000113.5R314 P739 T745R314-A741 PolarHBondContact NH2-O 3.4Å; R314-A741 VanDerWaalsContact NH2-O 3.14Å; P739-A741 PolarHBondContact O-N 2.85Å; P739-A741 VanDerWaalsContact O-N 3.09Å; A741-T745 PolarHBondContact O-OG1 2.84Å
742I82.4Confident81.2Confident3 Ų358.6 Ų58.62%0.01530%0.303CS..Hα-helixtrans-81.6-44.4170.4-66.7-176.7000109.2W322 F324 Y331 L738 P739 A740 Q744 T745 L746W322-I742 HydrophobicContact CE3-CG2 4.11Å; W322-I742 HydrophobicContact CH2-CB 4.21Å; W322-I742 HydrophobicContact CH2-CG1 4.03Å; W322-I742 HydrophobicContact CH2-CG2 4.16Å; W322-I742 HydrophobicContact CZ3-CB 3.91Å; W322-I742 HydrophobicContact CZ3-CG1 4.02Å; W322-I742 HydrophobicContact CZ3-CG2 3.36Å; F324-I742 HydrophobicContact CE1-CG2 4.03Å; F324-I742 HydrophobicContact CZ-CG2 4.01Å; Y331-I742 HydrophobicContact CD1-CD1 3.49Å; Y331-I742 VanDerWaalsContact CD1-CD1 3.49Å; Y331-I742 HydrophobicContact CD2-CD1 3.53Å; Y331-I742 HydrophobicContact CE1-CD1 3.46Å; Y331-I742 VanDerWaalsContact CE1-CD1 3.46Å; Y331-I742 HydrophobicContact CE2-CD1 3.51Å; Y331-I742 HydrophobicContact CG-CD1 3.53Å; Y331-I742 VanDerWaalsContact CZ-CD1 3.47Å; L738-I742 HydrophobicContact CB-CG2 4.45Å; L738-I742 HydrophobicContact CD1-CG2 4.29Å; L738-I742 HydrophobicContact CD2-CG2 4.25Å; P739-I742 HydrophobicContact CB-CB 4.48Å; P739-I742 HydrophobicContact CB-CD1 4.2Å; P739-I742 HydrophobicContact CB-CG1 4.22Å; P739-I742 HydrophobicContact CG-CD1 3.84Å; P739-I742 HydrophobicContact CG-CG1 4.4Å; P739-I742 WeakPolarHBondContact O-CB 3.35Å; P739-I742 PolarHBondContact O-N 2.88Å; A740-I742 VanDerWaalsContact C-N 3.32Å; A740-I742 PolarHBondContact O-N 3.41Å; I742-Q744 VanDerWaalsContact C-N 3.29Å; I742-Q744 PolarHBondContact O-N 3.16Å; I742-T745 PolarHBondContact O-N 3.34Å; I742-T745 VanDerWaalsContact O-N 3.15Å; I742-L746 HydrophobicContact CG2-CD1 4.09Å; I742-L746 HydrophobicContact CG2-CG 4.33Å; I742-L746 PolarHBondContact O-N 3.03Å
743A80.1Confident81.3Confident12 Ų1252.7 Ų52.710%0.09928%0.277CS..Hα-helixtrans-57.5-41.1178.200000112.9S709 P739 A740 G747S709-A743 WeakPolarHBondContact OG-CB 3.11Å; P739-A743 PolarHBondContact O-N 2.81Å; A740-A743 WeakPolarHBondContact O-CB 2.95Å; A740-A743 PolarHBondContact O-N 2.89Å; A743-G747 PolarHBondContact O-N 3.04Å
744Q79.1Confident81.4Confident131 Ų13145.6 Ų45.661%0.61225%0.247SC*.Hα-helixtrans-61.4-44.1176.3-174.4177.33.700111.8A740 I742 Q748A740-Q744 PolarHBondContact O-N 3.08Å; I742-Q744 VanDerWaalsContact C-N 3.29Å; I742-Q744 PolarHBondContact O-N 3.16Å; Q744-Q748 WeakPolarHBondContact O-CG 3.4Å
745T79Confident81.2Confident20 Ų2045.5 Ų45.512%0.12325%0.247CC..Hα-helixtrans-65.1-55.3177-54.80000110.6A311 W322 A741 I742 G747 Q748 Y749A311-T745 HydrophobicContact CB-CG2 3.86Å; W322-T745 HydrophobicContact CH2-CG2 4.01Å; W322-T745 HydrophobicContact CZ2-CG2 4.36Å; A741-T745 PolarHBondContact O-OG1 2.84Å; I742-T745 PolarHBondContact O-N 3.34Å; I742-T745 VanDerWaalsContact O-N 3.15Å; T745-G747 PolarHBondContact O-N 2.94Å; T745-Q748 PolarHBondContact O-N 3.33Å; T745-Y749 HydrophobicContact CG2-CD2 4.07Å; T745-Y749 HydrophobicContact CG2-CE2 4.32Å; T745-Y749 WeakPolarHBondContact O-CD2 3.44Å; T745-Y749 PolarHBondContact O-N 3.44Å
746L80Confident80.9Confident5 Ų542.4 Ų42.43%0.02623%0.23CC..Hα-helixtrans-61.2-34-178.3-65.8-173.9000112.8W322 F324 G633 L634 A698 L738 I742 Q748W322-L746 HydrophobicContact CE3-CD2 4.11Å; W322-L746 HydrophobicContact CE3-CG 4.49Å; W322-L746 HydrophobicContact CZ3-CD2 4.15Å; W322-L746 HydrophobicContact CZ3-CG 4.15Å; F324-L746 HydrophobicContact CE2-CD1 4.48Å; F324-L746 HydrophobicContact CZ-CD1 3.99Å; G633-L746 WeakPolarHBondContact CA-O 3.33Å; L634-L746 HydrophobicContact CD1-CD1 4.47Å; L634-L746 HydrophobicContact CD1-CD2 3.97Å; L634-L746 HydrophobicContact CD2-CD2 3.99Å; L634-L746 HydrophobicContact CG-CD1 4.41Å; L634-L746 HydrophobicContact CG-CD2 3.78Å; A698-L746 HydrophobicContact CB-CD1 4.46Å; L738-L746 HydrophobicContact CD1-CD1 3.83Å; I742-L746 HydrophobicContact CG2-CD1 4.09Å; I742-L746 HydrophobicContact CG2-CG 4.33Å; I742-L746 PolarHBondContact O-N 3.03Å; L746-Q748 PolarHBondContact O-N 2.88Å; L746-Q748 VanDerWaalsContact O-N 3.16Å
747G71.4Confident80.6Confident13 Ų1340.7 Ų40.713%0.13422%0.224CC..THydrogen-bonded Turntrans-66.8-12.3178.400000114.8A743 T745A743-G747 PolarHBondContact O-N 3.04Å; T745-G747 PolarHBondContact O-N 2.94Å
748Q69.4Low80.2Confident128 Ų12833.9 Ų33.960%0.59819%0.194SC*.THydrogen-bonded Turntrans-107.3-23.4-176.8-68.7177.8-2.500113.8Q744 T745 L746Q744-Q748 WeakPolarHBondContact O-CG 3.4Å; T745-Q748 PolarHBondContact O-N 3.33Å; L746-Q748 PolarHBondContact O-N 2.88Å; L746-Q748 VanDerWaalsContact O-N 3.16Å
749Y66.6Low80Confident90 Ų9033.3 Ų33.335%0.35319%0.191SC..  trans-119.1134.3-171.1-61.7-78.4000112.8P312 T745P312-Y749 HydrophobicContact CG-CD1 4.46Å; P312-Y749 HydrophobicContact CG-CD2 3.99Å; P312-Y749 HydrophobicContact CG-CE1 4.03Å; P312-Y749 HydrophobicContact CG-CE2 3.54Å; P312-Y749 HydrophobicContact CG-CG 4.45Å; T745-Y749 HydrophobicContact CG2-CD2 4.07Å; T745-Y749 HydrophobicContact CG2-CE2 4.32Å; T745-Y749 WeakPolarHBondContact O-CD2 3.44Å; T745-Y749 PolarHBondContact O-N 3.44Å
750L69Low80.1Confident57 Ų5731.7 Ų31.730%0.29818%0.177SC..  trans-95.592.4168.9-72.6171.1000108.5
751S73.4Confident80Confident2 Ų229.5 Ų29.51%0.01416%0.155CC..  trans-94.3150.1-175.4-173.60000112.3L310 T753L310-S751 VanDerWaalsContact C-OG 3.31Å; L310-S751 VanDerWaalsContact CA-OG 3.31Å; L310-S751 WeakPolarHBondContact CA-OG 3.41Å; L310-S751 WeakPolarHBondContact CB-OG 3.38Å; L310-S751 PolarHBondContact N-OG 2.91Å; L310-S751 WeakPolarHBondContact O-CB 3.14Å; L310-S751 PolarHBondContact O-OG 2.93Å; S751-T753 PolarHBondContact O-N 2.82Å; S751-T753 PolarHBondContact O-OG1 2.93Å
752P80.2Confident79.9Confident7 Ų728.8 Ų28.85%0.04515%0.145CC..  trans-56.4138.716427.4-36.9000109.6L310 I358 F360L310-P752 HydrophobicContact CD1-CG 3.6Å; L310-P752 HydrophobicContact CG-CG 4.27Å; I358-P752 HydrophobicContact CB-CG 4.45Å; I358-P752 HydrophobicContact CG2-CG 4.45Å; I358-P752 WeakPolarHBondContact O-CG 3.11Å; F360-P752 HydrophobicContact CB-CB 4.35Å; F360-P752 HydrophobicContact CD2-CB 3.98Å; F360-P752 HydrophobicContact CD2-CG 4.32Å; F360-P752 WeakPolarHBondContact CD2-O 3.5Å; F360-P752 HydrophobicContact CE2-CG 4.37Å; F360-P752 HydrophobicContact CG-CB 4.1Å
753T87.5Confident80Confident23 Ų2328.6 Ų28.614%0.14114%0.144CC..EExtended strand (participates in β ladder)trans-141.2140.6-173.8-57.40000110L307 L308 L634 C636 S751L307-T753 HydrophobicContact CD1-CG2 3.27Å; L307-T753 HydrophobicContact CG-CG2 3.97Å; L308-T753 VanDerWaalsContact O-CA 3.28Å; L308-T753 WeakPolarHBondContact O-CA 3.48Å; L634-T753 HydrophobicContact CB-CG2 3.82Å; L634-T753 WeakPolarHBondContact CB-OG1 3.36Å; L634-T753 WeakPolarHBondContact CD2-OG1 3.32Å; C636-T753 HydrophobicContact CB-CG2 4.05Å; S751-T753 PolarHBondContact O-N 2.82Å; S751-T753 PolarHBondContact O-OG1 2.93Å
754A88.1Confident80.1Confident4 Ų430.9 Ų30.93%0.03316%0.157CC..EExtended strand (participates in β ladder)trans-144.8150.7172.300000111.4L308 F360 P362 L374 V756L308-A754 PolarHBondContact N-O 3.38Å; L308-A754 PolarHBondContact O-N 3.3Å; F360-A754 HydrophobicContact CB-CB 4.09Å; P362-A754 HydrophobicContact CG-CB 4.21Å; L374-A754 HydrophobicContact CD1-CB 3.66Å; A754-V756 HydrophobicContact CB-CG1 4.46Å
755V87.7Confident79.9Confident6 Ų627.1 Ų27.14%0.03614%0.139CC..EExtended strand (participates in β ladder)trans-102122.5169.5171.30000108.6L305 C306 L307 L326 C636 T638 L640 V696L305-V755 HydrophobicContact CD1-CG1 3.5Å; L305-V755 HydrophobicContact CD2-CG1 3.79Å; L305-V755 HydrophobicContact CG-CG1 3.53Å; C306-V755 WeakPolarHBondContact O-CA 3.38Å; L307-V755 HydrophobicContact CD1-CG2 3.67Å; L326-V755 HydrophobicContact CD1-CG1 4.13Å; L326-V755 HydrophobicContact CD1-CG2 4.08Å; C636-V755 WeakPolarHBondContact SG-CG2 3.19Å; T638-V755 HydrophobicContact CG2-CB 4.23Å; T638-V755 HydrophobicContact CG2-CG1 4.07Å; T638-V755 HydrophobicContact CG2-CG2 4.22Å; L640-V755 HydrophobicContact CD1-CG1 4.4Å; V696-V755 HydrophobicContact CB-CG2 4.25Å; V696-V755 HydrophobicContact CG2-CG2 3.93Å
756V85.6Confident79.5Confident0 Ų027.4 Ų27.40%014%0.142CC..EExtended strand (participates in β ladder)trans-137.8151.1-175.2-69.30000109.9C306 L308 Q371 L374 L393 A754C306-V756 PolarHBondContact N-O 2.84Å; C306-V756 PolarHBondContact O-N 2.86Å; L308-V756 HydrophobicContact CB-CG2 4.49Å; Q371-V756 CarbonylContact O-C 3.5Å; L374-V756 HydrophobicContact CB-CG1 4.27Å; L374-V756 HydrophobicContact CD1-CG1 4.23Å; L393-V756 HydrophobicContact CD1-CB 4.25Å; L393-V756 HydrophobicContact CD1-CG2 3.79Å; L393-V756 HydrophobicContact CD2-CG2 3.76Å; L393-V756 HydrophobicContact CG-CG2 4.32Å; A754-V756 HydrophobicContact CB-CG1 4.46Å
757L84.3Confident78.9Confident12 Ų1234.1 Ų34.16%0.06318%0.183CC..EExtended strand (participates in β ladder)trans-82.7128.8171.9-165.278.7000109.7P300 A302 S304 Y370 Q371 T372P300-L757 HydrophobicContact CB-CD2 3.87Å; P300-L757 HydrophobicContact CG-CD2 3.12Å; A302-L757 HydrophobicContact CB-CB 4.41Å; A302-L757 HydrophobicContact CB-CD2 3.69Å; A302-L757 HydrophobicContact CB-CG 3.66Å; S304-L757 WeakPolarHBondContact O-CA 3.32Å; Y370-L757 HydrophobicContact CD1-CD2 4.22Å; Y370-L757 HydrophobicContact CG-CD2 4.36Å; Q371-L757 PolarHBondContact O-N 2.74Å; T372-L757 WeakPolarHBondContact CA-O 3.25Å; T372-L757 HydrophobicContact CG2-CB 4.33Å; T372-L757 HydrophobicContact CG2-CD2 4.36Å
758A84.6Confident78.9Confident0 Ų036.2 Ų36.20%019%0.191CC..EExtended strand (participates in β ladder)trans-131.9152.6-173.700000112.1A302 E303 S304 C306 L393 W760 I763A302-A758 VanDerWaalsContact CB-C 3.41Å; E303-A758 PolarHBondContact N-O 2.8Å; S304-A758 PolarHBondContact N-O 3.37Å; S304-A758 VanDerWaalsContact N-O 3.08Å; S304-A758 PolarHBondContact O-N 3.48Å; C306-A758 HydrophobicContact CB-CB 4.1Å; L393-A758 HydrophobicContact CB-CB 3.76Å; L393-A758 HydrophobicContact CD2-CB 4.09Å; A758-W760 VanDerWaalsContact C-N 3.3Å; A758-W760 PolarHBondContact O-N 2.82Å; A758-W760 VanDerWaalsContact O-N 3.14Å; A758-I763 HydrophobicContact CB-CD1 3.66Å
759N85.3Confident79.2Confident0 Ų030.2 Ų30.20%016%0.163CC..  trans-81.983.7164.4-172.6-16.8000108.3V198 L393 A394 T761 H762 I763V198-N759 VanDerWaalsContact C-ND2 3.32Å; V198-N759 PolarHBondContact O-ND2 2.82Å; V198-N759 PolarHBondContact O-OD1 3.4Å; L393-N759 PolarHBondContact O-N 2.68Å; A394-N759 WeakPolarHBondContact O-CB 3.26Å; N759-T761 VanDerWaalsContact C-N 3.28Å; N759-T761 PolarHBondContact O-N 3.38Å; N759-H762 HydrophobicContact CB-CB 3.87Å; N759-H762 VanDerWaalsContact CG-CB 3.42Å; N759-H762 WeakPolarHBondContact O-CB 3.43Å; N759-H762 PolarHBondContact O-N 3.14Å; N759-H762 VanDerWaalsContact O-N 3.1Å; N759-H762 PolarHBondContact OD1-N 2.83Å; N759-H762 VanDerWaalsContact OD1-N 3.17Å; N759-I763 WeakPolarHBondContact O-CG1 3.31Å; N759-I763 PolarHBondContact O-N 3.29Å
760W85.6Confident80Confident30 Ų3025.9 Ų25.911%0.11415%0.146CC..Hα-helixtrans-54.1-45.3-175.2178.7-101.9000112.5S304 C306 L323 N325 A330 H332 A758 H762 I763 V764S304-W760 WeakPolarHBondContact OG-CB 3.36Å; C306-W760 VanDerWaalsContact SG-CE3 3.57Å; L323-W760 HydrophobicContact CB-CZ3 3.86Å; N325-W760 HydrophobicContact CB-CD2 3.79Å; N325-W760 HydrophobicContact CB-CE3 3.79Å; N325-W760 HydrophobicContact CB-CG 4.47Å; N325-W760 HydrophobicContact CB-CH2 3.91Å; N325-W760 HydrophobicContact CB-CZ2 3.94Å; N325-W760 HydrophobicContact CB-CZ3 3.83Å; N325-W760 VanDerWaalsContact ND2-CG 3.35Å; A330-W760 HydrophobicContact CB-CH2 4.46Å; A330-W760 HydrophobicContact CB-CZ2 3.66Å; A330-W760 WeakPolarHBondContact O-CH2 3.26Å; H332-W760 HydrophobicContact CB-CH2 3.81Å; H332-W760 HydrophobicContact CB-CZ2 4.23Å; H332-W760 HydrophobicContact CB-CZ3 4.43Å; A758-W760 VanDerWaalsContact C-N 3.3Å; A758-W760 PolarHBondContact O-N 2.82Å; A758-W760 VanDerWaalsContact O-N 3.14Å; W760-H762 VanDerWaalsContact C-N 3.33Å; W760-H762 PolarHBondContact O-N 3.02Å; W760-I763 PolarHBondContact O-N 2.98Å; W760-V764 HydrophobicContact CD2-CG2 3.93Å; W760-V764 HydrophobicContact CE3-CG2 4.49Å; W760-V764 HydrophobicContact CG-CG2 4.34Å; W760-V764 HydrophobicContact CH2-CG2 4.39Å; W760-V764 HydrophobicContact CZ2-CG2 3.77Å; W760-V764 WeakPolarHBondContact O-CG2 3.5Å; W760-V764 PolarHBondContact O-N 2.7Å
761T80.8Confident80.4Confident36 Ų3627 Ų2722%0.22116%0.155CC..Hα-helixtrans-57.2-46.7177.8-59.10000111I167 E303 N759 Q765I167-T761 HydrophobicContact CG2-CG2 4.5Å; E303-T761 PolarHBondContact OE1-OG1 3.43Å; N759-T761 VanDerWaalsContact C-N 3.28Å; N759-T761 PolarHBondContact O-N 3.38Å; T761-Q765 WeakPolarHBondContact O-CB 3.26Å; T761-Q765 VanDerWaalsContact O-CG 3.22Å; T761-Q765 WeakPolarHBondContact O-CG 3.13Å; T761-Q765 PolarHBondContact O-N 2.88Å
762H78.2Confident80.6Confident25 Ų2528.3 Ų28.312%0.11616%0.16CC..Hα-helixtrans-62.1-46.3176.5-168.8-170.8000112.7C200 N759 W760 Q765 S766C200-H762 HydrophobicContact CB-CB 4.42Å; C200-H762 WeakPolarHBondContact SG-CB 3.26Å; C200-H762 VanDerWaalsContact SG-CD2 3.54Å; N759-H762 HydrophobicContact CB-CB 3.87Å; N759-H762 VanDerWaalsContact CG-CB 3.42Å; N759-H762 WeakPolarHBondContact O-CB 3.43Å; N759-H762 PolarHBondContact O-N 3.14Å; N759-H762 VanDerWaalsContact O-N 3.1Å; N759-H762 PolarHBondContact OD1-N 2.83Å; N759-H762 VanDerWaalsContact OD1-N 3.17Å; W760-H762 VanDerWaalsContact C-N 3.33Å; W760-H762 PolarHBondContact O-N 3.02Å; H762-Q765 PolarHBondContact O-N 3.4Å; H762-S766 VanDerWaalsContact O-CB 3.29Å; H762-S766 WeakPolarHBondContact O-CB 3.31Å; H762-S766 PolarHBondContact O-N 2.9Å
763I83.8Confident80Confident0 Ų031.5 Ų31.50%018%0.177CC..Hα-helixtrans-62.7-49.2-176.4-68.6171.7000110.8L323 Y334 L393 A758 N759 W760 Q765 S766 P769L323-I763 HydrophobicContact CD1-CG2 4.44Å; L323-I763 HydrophobicContact CD2-CD1 3.78Å; L323-I763 HydrophobicContact CD2-CG2 4.16Å; Y334-I763 HydrophobicContact CE1-CG2 4.26Å; L393-I763 HydrophobicContact CB-CD1 4.26Å; L393-I763 HydrophobicContact CD2-CD1 4.03Å; A758-I763 HydrophobicContact CB-CD1 3.66Å; N759-I763 WeakPolarHBondContact O-CG1 3.31Å; N759-I763 PolarHBondContact O-N 3.29Å; W760-I763 PolarHBondContact O-N 2.98Å; I763-Q765 PolarHBondContact O-N 2.8Å; I763-S766 PolarHBondContact O-N 3.24Å; I763-P769 HydrophobicContact CG2-CB 4.39Å
764V83.5Confident78.5Confident60 Ų6035.5 Ų35.536%0.36420%0.201SC..Hα-helixtrans-65-30.2-178.1175.30000112.1H332 W760H332-V764 HydrophobicContact CB-CG2 4.01Å; W760-V764 HydrophobicContact CD2-CG2 3.93Å; W760-V764 HydrophobicContact CE3-CG2 4.49Å; W760-V764 HydrophobicContact CG-CG2 4.34Å; W760-V764 HydrophobicContact CH2-CG2 4.39Å; W760-V764 HydrophobicContact CZ2-CG2 3.77Å; W760-V764 WeakPolarHBondContact O-CG2 3.5Å; W760-V764 PolarHBondContact O-N 2.7Å
765Q73.7Confident76.2Confident52 Ų5240.7 Ų40.724%0.24323%0.229CC..Hα-helixtrans-90.9-5.5-180-67.2176.8-11.800113.9K168 T761 H762 I763K168-Q765 PolarHBondContact NZ-O 3.5Å; K168-Q765 VanDerWaalsContact NZ-O 3.14Å; T761-Q765 WeakPolarHBondContact O-CB 3.26Å; T761-Q765 VanDerWaalsContact O-CG 3.22Å; T761-Q765 WeakPolarHBondContact O-CG 3.13Å; T761-Q765 PolarHBondContact O-N 2.88Å; H762-Q765 PolarHBondContact O-N 3.4Å; I763-Q765 PolarHBondContact O-N 2.8Å
766S70.6Confident73.6Confident25 Ų2550.7 Ų50.718%0.17527%0.267CS..  trans-93.8129.1-179.8-170.30000110.7H762 I763 N768H762-S766 VanDerWaalsContact O-CB 3.29Å; H762-S766 WeakPolarHBondContact O-CB 3.31Å; H762-S766 PolarHBondContact O-N 2.9Å; I763-S766 PolarHBondContact O-N 3.24Å; S766-N768 VanDerWaalsContact C-N 3.25Å; S766-N768 PolarHBondContact OG-N 2.9Å; S766-N768 PolarHBondContact OG-O 2.97Å; S766-N768 VanDerWaalsContact OG-O 3.07Å
767V68.2Low70.9Confident147 Ų14754.9 Ų54.989%0.89130%0.296SS*.SBendtrans-72.8-25171.2-174.60000110.7
768N71.1Confident68.1Low57 Ų5762 Ų6231%0.30533%0.327SS..  trans-139.489.7175.1-173.71.1000110.4P337 S766 I770P337-N768 VanDerWaalsContact CG-OD1 3.25Å; P337-N768 WeakPolarHBondContact CG-OD1 3.48Å; S766-N768 VanDerWaalsContact C-N 3.25Å; S766-N768 PolarHBondContact OG-N 2.9Å; S766-N768 PolarHBondContact OG-O 2.97Å; S766-N768 VanDerWaalsContact OG-O 3.07Å; N768-I770 PolarHBondContact O-N 2.83Å; N768-I770 VanDerWaalsContact O-N 3.16Å; N768-I770 PolarHBondContact OD1-N 2.82Å; N768-I770 PolarHBondContact OD1-O 3.05Å; N768-I770 VanDerWaalsContact OD1-O 3.12Å
769P76.4Confident65.3Low1 Ų171.8 Ų71.81%0.00637%0.373CS..SBendtrans-76.57.4-178.532.1-36.5000113.7Y334 W391 C396 I763Y334-P769 HydrophobicContact CD1-CG 3.93Å; Y334-P769 HydrophobicContact CD2-CG 3.81Å; Y334-P769 HydrophobicContact CE1-CB 4.46Å; Y334-P769 HydrophobicContact CE1-CG 3.44Å; Y334-P769 VanDerWaalsContact CE1-CG 3.44Å; Y334-P769 HydrophobicContact CE2-CG 3.32Å; Y334-P769 HydrophobicContact CG-CG 4.11Å; Y334-P769 WeakPolarHBondContact OH-CG 3.48Å; W391-P769 PolarHBondContact NE1-O 3.15Å; W391-P769 VanDerWaalsContact NE1-O 3.09Å; C396-P769 CarbonylContact C-O 3.48Å; C396-P769 WeakPolarHBondContact CA-O 3.45Å; C396-P769 WeakPolarHBondContact CB-O 3.38Å; I763-P769 HydrophobicContact CG2-CB 4.39Å
770I82.7Confident62.5Low0 Ų078 Ų780%040%0.402CS..  trans-124.393.4175-53.1175000109.2F321 Y334 C340 F389 W391 A398 N768 F772F321-I770 HydrophobicContact CD2-CD1 3.97Å; F321-I770 HydrophobicContact CE2-CD1 3.33Å; F321-I770 HydrophobicContact CZ-CD1 3.96Å; Y334-I770 HydrophobicContact CE2-CD1 4.45Å; C340-I770 WeakPolarHBondContact SG-CG2 3.48Å; F389-I770 HydrophobicContact CE2-CG2 4.26Å; F389-I770 HydrophobicContact CZ-CD1 4.45Å; W391-I770 HydrophobicContact CD2-CD1 4.49Å; W391-I770 HydrophobicContact CD2-CG1 4.26Å; W391-I770 HydrophobicContact CZ2-CG1 4.06Å; A398-I770 HydrophobicContact CB-CG2 3.65Å; N768-I770 PolarHBondContact O-N 2.83Å; N768-I770 VanDerWaalsContact O-N 3.16Å; N768-I770 PolarHBondContact OD1-N 2.82Å; N768-I770 PolarHBondContact OD1-O 3.05Å; N768-I770 VanDerWaalsContact OD1-O 3.12Å; I770-F772 HydrophobicContact CG2-CE2 4.24Å; I770-F772 HydrophobicContact CG2-CZ 4.42Å
771T77.3Confident59.8Low79 Ų7982.3 Ų82.349%0.48543%0.427SS..EExtended strand (participates in β ladder)trans-100.7111.9173.2-54.40000109.5C396 R397 A398C396-T771 PolarHBondContact O-N 3.31Å; R397-T771 CarbonylContact C-O 3.59Å; R397-T771 WeakPolarHBondContact CA-O 3.08Å; A398-T771 PolarHBondContact N-O 3.15Å
772F78.5Confident57.4Low30 Ų3086.2 Ų86.213%0.13245%0.454CS..EExtended strand (participates in β ladder)trans-67.9137.5173-71.6-84.1000110.7N339 C340 E343 F389 A398 L400 I770 T774N339-F772 WeakPolarHBondContact ND2-CD2 3.41Å; C340-F772 HydrophobicContact CB-CE2 4.24Å; C340-F772 HydrophobicContact CB-CZ 4.37Å; C340-F772 WeakPolarHBondContact SG-CE2 3.48Å; E343-F772 HydrophobicContact CB-CZ 4.28Å; E343-F772 HydrophobicContact CG-CE1 4.45Å; E343-F772 HydrophobicContact CG-CE2 4.43Å; E343-F772 HydrophobicContact CG-CZ 4.12Å; F389-F772 HydrophobicContact CB-CE1 3.8Å; F389-F772 AromaticContact CD1-CE1 3.94Å; F389-F772 HydrophobicContact CD1-CE1 3.94Å; F389-F772 AromaticContact CD1-CZ 3.86Å; F389-F772 HydrophobicContact CD1-CZ 3.86Å; F389-F772 HydrophobicContact CD2-CE1 4.38Å; F389-F772 HydrophobicContact CE1-CZ 4.14Å; F389-F772 AromaticContact CG-CE1 3.8Å; F389-F772 HydrophobicContact CG-CE1 3.8Å; F389-F772 HydrophobicContact CG-CZ 4.12Å; A398-F772 HydrophobicContact CB-CD1 3.75Å; A398-F772 HydrophobicContact CB-CE1 3.83Å; A398-F772 HydrophobicContact CB-CG 4.29Å; A398-F772 HydrophobicContact CB-CZ 4.43Å; A398-F772 CarbonylContact O-C 3.45Å; A398-F772 WeakPolarHBondContact O-CA 3.3Å; L400-F772 HydrophobicContact CD2-CD1 3.89Å; L400-F772 HydrophobicContact CD2-CE1 3.52Å; L400-F772 HydrophobicContact CD2-CZ 4.36Å; L400-F772 HydrophobicContact CG-CD1 4.07Å; L400-F772 HydrophobicContact CG-CE1 4.2Å; I770-F772 HydrophobicContact CG2-CE2 4.24Å; I770-F772 HydrophobicContact CG2-CZ 4.42Å; F772-T774 PolarHBondContact O-N 2.98Å
773L66.6Low54.9Low74 Ų7493.7 Ų93.739%0.38749%0.489SS..  trans-62.8103.6164.3-70.4172.4000108.1A398 K399 N775A398-L773 PolarHBondContact O-N 3.06Å; K399-L773 HydrophobicContact CB-CD1 4.33Å; L773-N775 VanDerWaalsContact C-N 3.34Å; L773-N775 PolarHBondContact O-N 3.34Å
774T55.9Low52.4Low107 Ų107100.8 Ų100.866%0.65652%0.522SS*.  trans-72.794.3167.444.20000107.6F772 Y776F772-T774 PolarHBondContact O-N 2.98Å; T774-Y776 HydrophobicContact CG2-CE2 4.47Å; T774-Y776 PolarHBondContact O-N 2.79Å
775N40.3Very low49.8Very low114 Ų114103.1 Ų103.161%0.6153%0.533SS*.  trans-67.181.4164.4-78.1-6.1000108L773 S777L773-N775 VanDerWaalsContact C-N 3.34Å; L773-N775 PolarHBondContact O-N 3.34Å; N775-S777 PolarHBondContact O-N 3.01Å
776Y32.2Very low47.5Very low216 Ų216109.2 Ų109.285%0.84756%0.559SS**  trans-68.8-3.1164.1-91.2-76.7000112T774 K778T774-Y776 HydrophobicContact CG2-CE2 4.47Å; T774-Y776 PolarHBondContact O-N 2.79Å; Y776-K778 PolarHBondContact O-N 2.98Å
777S29.2Very low45.5Very low87 Ų87115.8 Ų115.861%0.60858%0.584SS**SBendtrans-83.793.4166.456.70000110.6N775N775-S777 PolarHBondContact O-N 3.01Å
778K26.6Very low43.7Very low161 Ų161113.6 Ų113.670%0.758%0.576SS**  trans55.187.4154.7-63-176.3169.2-153.20116.6Y776 E780Y776-K778 PolarHBondContact O-N 2.98Å; K778-E780 HydrophobicContact CB-CB 4.33Å; K778-E780 HydrophobicContact CB-CG 4.49Å; K778-E780 WeakPolarHBondContact CD-OE2 3.38Å; K778-E780 IonicContact NZ-OE2 3.06Å; K778-E780 PolarHBondContact NZ-OE2 3.14Å; K778-E780 PolarHBondContact O-N 3.08Å
779Q25.8Very low41.7Very low207 Ų207119.9 Ų119.997%0.96760%0.596SS**  trans-67.343145.5-95.5179.6-22.200111.5
780E25.5Very low39.4Very low131 Ų131127.4 Ų127.461%0.61264%0.635SS**  trans-88.6112.2165.9-74.2-178.7150.400107.4K778K778-E780 HydrophobicContact CB-CB 4.33Å; K778-E780 HydrophobicContact CB-CG 4.49Å; K778-E780 WeakPolarHBondContact CD-OE2 3.38Å; K778-E780 IonicContact NZ-OE2 3.06Å; K778-E780 PolarHBondContact NZ-OE2 3.14Å; K778-E780 PolarHBondContact O-N 3.08Å
781N28.8Very low36.6Very low120 Ų120132.7 Ų132.764%0.64267%0.671SS**SBendtrans80.150.4157.2-56.3-24.9000120.3
782C30.1Very low34.1Very low118 Ų118131.7 Ų131.780%0.79768%0.676SS**  trans-99.57.2154.4-860000114.5Q784C782-Q784 PolarHBondContact O-N 3.43Å
783E27.2Very low31.6Very low181 Ų181137.6 Ų137.685%0.84671%0.709SS**THydrogen-bonded Turntrans-73.5-0.2164.1-73.9-159.7159.100113.2
784Q30.1Very low29.6Very low149 Ų149143.5 Ų143.570%0.69673%0.732SS**THydrogen-bonded Turntrans-90.89.8177.6-77.1-172-11.600115.3C782 K786C782-Q784 PolarHBondContact O-N 3.43Å; Q784-K786 PolarHBondContact O-N 2.92Å
785N28.5Very low28.3Very low109 Ų109143.7 Ų143.758%0.58374%0.735SS**  trans-74.832.2155.9-81.3-12.9000112.5F787N785-F787 PolarHBondContact O-N 3.48Å
786K25.8Very low27.6Very low181 Ų181146.9 Ų146.979%0.78775%0.746SS**  trans-64.573.2146.1-80.9-178.4176.4173.30108.2Q784 S788Q784-K786 PolarHBondContact O-N 2.92Å; K786-S788 PolarHBondContact O-N 3.16Å; K786-S788 PolarHBondContact O-OG 2.91Å
787F29.7Very low27.4Very low163 Ų163141.9 Ų141.972%0.71574%0.742SS**  trans-73.878.9156.9-98.5-87.2000108.1N785 Y789N785-F787 PolarHBondContact O-N 3.48Å; F787-Y789 PolarHBondContact O-N 3.22Å; F787-Y789 VanDerWaalsContact O-N 3.14Å
788S30.2Very low27.2Very low101 Ų101142.4 Ų142.471%0.70675%0.746SS**  trans-71.237.2155.546.10000111.8K786K786-S788 PolarHBondContact O-N 3.16Å; K786-S788 PolarHBondContact O-OG 2.91Å
789Y29.3Very low27.2Very low188 Ų188141.9 Ų141.974%0.73775%0.751SS**  trans-128.597.8171.8-91.6-87.8000107.5F787F787-Y789 PolarHBondContact O-N 3.22Å; F787-Y789 VanDerWaalsContact O-N 3.14Å
790I26.7Very low27.3Very low160 Ų160142.1 Ų142.182%0.82174%0.743SS**SBendtrans164.3-10.7157-81.7155.1000110G792I790-G792 VanDerWaalsContact C-N 3.28Å; I790-G792 PolarHBondContact O-N 3.41Å
791C25.5Very low27.2Very low111 Ų111140 Ų14075%0.7574%0.743SS**SBendtrans-92.937.7164.4-73.60000113.1
792G24.5Very low27.2Very low57 Ų57144.9 Ų144.959%0.58875%0.753SS**SBendtrans-116110.4174.500000110.3I790I790-G792 VanDerWaalsContact C-N 3.28Å; I790-G792 PolarHBondContact O-N 3.41Å
793N25.1Very low27.2Very low155 Ų155145.8 Ų145.883%0.82975%0.75SS**  trans72.376.5167.2-54.5-16.1000116.7P795N793-P795 WeakPolarHBondContact O-CD 3.39Å
794F25.3Very low27Very low198 Ų198142.1 Ų142.187%0.86874%0.744SS**  trans-82.1110.1137.3-79.3-85.4000106.8E796F794-E796 PolarHBondContact O-N 3.22Å
795P27.1Very low27Very low111 Ų111146.3 Ų146.372%0.72177%0.771SS**  trans-68.1116.6162.81.514.6000106.6N793 S797N793-P795 WeakPolarHBondContact O-CD 3.39Å; P795-S797 PolarHBondContact O-N 3.32Å
796E26.9Very low26.9Very low180 Ų180148.2 Ų148.284%0.84178%0.781SS**  trans-49129.8163.7-71.1178149.100108.8F794F794-E796 PolarHBondContact O-N 3.22Å
797S26.7Very low27Very low111 Ų111146.5 Ų146.578%0.77678%0.78SS**  trans44.993.2154.760.80000116.6P795P795-S797 PolarHBondContact O-N 3.32Å
798S27Very low26.8Very low98 Ų98145.6 Ų145.669%0.68578%0.784SS**  trans-129.7115142.651.30000109.4W800S798-W800 PolarHBondContact O-N 3.41Å
799N25.7Very low26.6Very low151 Ų151148.2 Ų148.281%0.80779%0.788SS**  trans-48.1124176.1-66.4-33.6000111.6
800W27.3Very low26.4Very low211 Ų211145.7 Ų145.780%0.79979%0.792SS**  trans-129.275.1154.4-74.371.6000107.7S798 W802S798-W800 PolarHBondContact O-N 3.41Å; W800-W802 AromaticContact CE3-NE1 3.57Å; W800-W802 AromaticContact CZ3-NE1 3.94Å
801S23.4Very low26.4Very low87 Ų87144.7 Ų144.761%0.60879%0.79SS**  trans-64.5123.8153.251.30000108.1
802W28.7Very low26.5Very low222 Ų222147.1 Ų147.184%0.84179%0.793SS**  trans-12192.5149.2-79.675.4000105.4W800W800-W802 AromaticContact CE3-NE1 3.57Å; W800-W802 AromaticContact CZ3-NE1 3.94Å
803D30.9Very low26.6Very low138 Ų138154.1 Ų154.174%0.73881%0.808SS**  trans-57.1150.1164.8-78.5-44.4000109.9D805D803-D805 PolarHBondContact O-N 3.41Å
804S22.9Very low26.8Very low103 Ų103154 Ų15472%0.7281%0.807SS**  trans-39118.6165.645.40000114.2
805D29.5Very low26.9Very low238 Ų238150 Ų150100%1.27380%0.801SS**  -157.10115.8-89.4-25.3000110.2D803D803-D805 PolarHBondContact O-N 3.41Å

Retrieved 805 of 805 residues in 845.1 ms (Link to these results)

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