A0A077Z594_TRITR Loading...

phenylalanine 4-monooxygenase

AlphaFold DB , UniProt , Accession A0A077Z594, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 438 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
1M24.8Very low39.2Very low226 Ų226107 Ų107100%1.11358%0.581SS**  0110.50-82.6-178.3-172.100107.6T3M1-T3 VanDerWaalsContact C-N 3.35Å; M1-T3 PolarHBondContact O-N 3.41Å
2N25.7Very low41.2Very low109 Ų109104.8 Ų104.858%0.58356%0.562SS**  trans-77.678.7-178.6-77.6-9.3000110.9Y4N2-Y4 HydrophobicContact CB-CD2 4.35Å; N2-Y4 PolarHBondContact O-N 3.37Å
3T27.2Very low43.1Very low85 Ų8597.7 Ų97.752%0.52153%0.528SS..  trans-91.574.116947.70000110M1 L5M1-T3 VanDerWaalsContact C-N 3.35Å; M1-T3 PolarHBondContact O-N 3.41Å; T3-L5 PolarHBondContact O-N 3.44Å; T3-L5 VanDerWaalsContact O-N 3.1Å
4Y34.5Very low45.2Very low58 Ų5897.7 Ų97.723%0.22752%0.521CS..  trans-78.279.9159.6-73.3-84000108.1N2 D6 P90 R239 D302N2-Y4 HydrophobicContact CB-CD2 4.35Å; N2-Y4 PolarHBondContact O-N 3.37Å; Y4-D6 PolarHBondContact O-N 2.97Å; Y4-P90 HydrophobicContact CD2-CB 3.59Å; Y4-P90 HydrophobicContact CD2-CG 3.68Å; Y4-P90 HydrophobicContact CE2-CB 4.06Å; Y4-P90 HydrophobicContact CG-CB 4.39Å; Y4-P90 HydrophobicContact CG-CG 4.09Å; Y4-R239 PolarHBondContact OH-NE 3.21Å; Y4-R239 VanDerWaalsContact OH-NE 3.12Å; Y4-D302 PolarHBondContact OH-OD1 3.41Å
5L32.4Very low47.2Very low149 Ų14991.8 Ų91.878%0.7849%0.489SS*.  trans-86.388.7174-81.3161.3000109.3T3T3-L5 PolarHBondContact O-N 3.44Å; T3-L5 VanDerWaalsContact O-N 3.1Å
6D39.6Very low49.2Very low101 Ų10187.2 Ų87.254%0.5446%0.463SS..  trans-153.443.3155.5-103.6-22.5000108.8Y4 P8 R114Y4-D6 PolarHBondContact O-N 2.97Å; D6-P8 WeakPolarHBondContact O-CD 3.37Å; D6-R114 IonicContact OD2-CZ 2.94Å; D6-R114 IonicContact OD2-NE 2.67Å; D6-R114 IonicContact OD2-NH2 2.88Å; D6-R114 PolarHBondContact OD2-NH2 3.32Å
7V44.4Very low51.3Low72 Ų7282.1 Ų82.144%0.43644%0.436SS..  trans-94.8105.5160.5174.90000106.2
8P44.5Very low53.1Low63 Ų6378.7 Ų78.741%0.40942%0.418SS..  trans-56148.4171.5-19.832.3000110D6 D10 G11 K12D6-P8 WeakPolarHBondContact O-CD 3.37Å; P8-D10 WeakPolarHBondContact CB-OD1 3.42Å; P8-D10 PolarHBondContact O-N 3.1Å; P8-G11 PolarHBondContact O-N 3.27Å; P8-K12 WeakPolarHBondContact CD-O 3.19Å; P8-K12 WeakPolarHBondContact CG-O 3.49Å
9L46.1Very low54.9Low193 Ų19374.6 Ų74.6100%1.0140%0.396SS*.THydrogen-bonded Turntrans-55.4-19-179-76.5160.6000113.7G11L9-G11 VanDerWaalsContact C-N 3.28Å
10D55.8Low56.6Low96 Ų9671.5 Ų71.551%0.51338%0.38SS..THydrogen-bonded Turntrans-82.3-1.2176.172.70.3000114P8 K12P8-D10 WeakPolarHBondContact CB-OD1 3.42Å; P8-D10 PolarHBondContact O-N 3.1Å; D10-K12 PolarHBondContact O-N 2.66Å; D10-K12 WeakPolarHBondContact OD1-CB 3.21Å; D10-K12 PolarHBondContact OD1-N 3.24Å
11G56.7Low58.2Low25 Ų2568.2 Ų68.226%0.25836%0.362SS..SBendtrans77.6-6.7-179.400000115P8 L9 G13 R92P8-G11 PolarHBondContact O-N 3.27Å; L9-G11 VanDerWaalsContact C-N 3.28Å; G11-G13 PolarHBondContact O-N 3.45Å; G11-R92 PolarHBondContact O-NH1 2.93Å; G11-R92 PolarHBondContact O-NH2 2.85Å
12K62.4Low61.2Low81 Ų8163.6 Ų63.635%0.35234%0.336SS..PPolyproline II helixtrans-81.2116.2-178.8-64.1-172.1174.1-168.90110.5P8 D10 G64 M65P8-K12 WeakPolarHBondContact CD-O 3.19Å; P8-K12 WeakPolarHBondContact CG-O 3.49Å; D10-K12 PolarHBondContact O-N 2.66Å; D10-K12 WeakPolarHBondContact OD1-CB 3.21Å; D10-K12 PolarHBondContact OD1-N 3.24Å; K12-G64 CarbonylContact C-O 3.59Å; K12-G64 WeakPolarHBondContact CA-O 3.37Å; K12-M65 HydrophobicContact CG-CG 4.16Å
13G66Low64Low12 Ų1264.7 Ų64.712%0.12434%0.338CS..EExtended strand (participates in β ladder)trans-90.3161.817600000112G11 G64G11-G13 PolarHBondContact O-N 3.45Å; G13-G64 PolarHBondContact N-O 2.98Å; G13-G64 PolarHBondContact O-N 3.5Å; G13-G64 VanDerWaalsContact O-N 3.12Å
14K72.2Confident66.5Low98 Ų9862.4 Ų62.443%0.42633%0.331SS..EExtended strand (participates in β ladder)trans-81.2130.8161.9-78.1-171.5173.9-150.80110.1Y16 E61 C62 N63 F88K14-Y16 HydrophobicContact CB-CE2 4.49Å; K14-E61 WeakPolarHBondContact CE-OE1 3.25Å; K14-E61 IonicContact NZ-OE1 2.78Å; K14-E61 PolarHBondContact NZ-OE1 3.22Å; K14-C62 WeakPolarHBondContact CA-O 3.3Å; K14-N63 VanDerWaalsContact CG-OD1 3.32Å; K14-N63 WeakPolarHBondContact CG-OD1 3.34Å; K14-F88 HydrophobicContact CB-CD2 4.43Å
15F76.1Confident68.7Low9 Ų964.8 Ų64.84%0.03935%0.352CS..EExtended strand (participates in β ladder)trans-134.8152.8170.161.1-89.1000110.4L17 V40 C62 C69 V85 Q86F15-L17 HydrophobicContact CD2-CD1 4.32Å; F15-L17 HydrophobicContact CD2-CG 4.08Å; F15-L17 HydrophobicContact CE2-CD1 3.9Å; F15-L17 HydrophobicContact CE2-CG 4.17Å; F15-V40 HydrophobicContact CE1-CG1 4.44Å; F15-V40 HydrophobicContact CZ-CG1 3.79Å; F15-C62 HydrophobicContact CD1-CB 4.23Å; F15-C62 HydrophobicContact CD2-CB 3.79Å; F15-C62 HydrophobicContact CE1-CB 3.8Å; F15-C62 HydrophobicContact CE2-CB 3.31Å; F15-C62 HydrophobicContact CG-CB 4.24Å; F15-C62 HydrophobicContact CZ-CB 3.33Å; F15-C62 PolarHBondContact N-O 3.01Å; F15-C62 PolarHBondContact O-N 2.8Å; F15-C69 HydrophobicContact CD1-CB 4.15Å; F15-C69 HydrophobicContact CD2-CB 4.32Å; F15-C69 WeakPolarHBondContact CD2-SG 3.37Å; F15-C69 HydrophobicContact CE1-CB 3.94Å; F15-C69 HydrophobicContact CE2-CB 4.11Å; F15-C69 HydrophobicContact CG-CB 4.32Å; F15-C69 HydrophobicContact CZ-CB 3.9Å; F15-V85 HydrophobicContact CB-CG1 4.4Å; F15-Q86 CarbonylContact C-O 3.59Å; F15-Q86 WeakPolarHBondContact CA-O 3.38Å
16Y79.6Confident71.2Confident18 Ų1862 Ų627%0.07134%0.344CS..EExtended strand (participates in β ladder)trans-119128.5-179.3-60.5-103.5000107.9K14 L59 I60 E61 V85 Q86 F88 W100K14-Y16 HydrophobicContact CB-CE2 4.49Å; Y16-L59 HydrophobicContact CD1-CD1 4.2Å; Y16-I60 CarbonylContact C-O 3.57Å; Y16-I60 VanDerWaalsContact CA-O 3.29Å; Y16-I60 WeakPolarHBondContact CA-O 3.31Å; Y16-E61 HydrophobicContact CD1-CB 3.97Å; Y16-E61 HydrophobicContact CD1-CG 4.16Å; Y16-E61 HydrophobicContact CE1-CB 3.76Å; Y16-E61 HydrophobicContact CE1-CG 3.58Å; Y16-E61 HydrophobicContact CE2-CG 4.49Å; Y16-E61 PolarHBondContact OH-OE1 3.34Å; Y16-V85 CarbonylContact O-C 3.58Å; Y16-V85 WeakPolarHBondContact O-CA 3.35Å; Y16-Q86 PolarHBondContact N-O 3.46Å; Y16-Q86 PolarHBondContact O-N 2.89Å; Y16-F88 HydrophobicContact CD2-CD2 4.35Å; Y16-F88 HydrophobicContact CD2-CE2 4.18Å; Y16-F88 AromaticContact CE2-CD2 3.61Å; Y16-F88 HydrophobicContact CE2-CD2 3.61Å; Y16-F88 AromaticContact CE2-CE2 3.24Å; Y16-F88 HydrophobicContact CE2-CE2 3.24Å; Y16-F88 HydrophobicContact CE2-CZ 4.39Å; Y16-F88 AromaticContact CZ-CE2 3.76Å; Y16-W100 AromaticContact CD2-CD1 3.48Å; Y16-W100 VanDerWaalsContact CD2-CD1 3.48Å; Y16-W100 AromaticContact CD2-NE1 3.86Å; Y16-W100 AromaticContact CE2-CD1 3.76Å; Y16-W100 AromaticContact CE2-NE1 3.83Å
17L83.7Confident73.4Confident0 Ų060.4 Ų60.40%033%0.334CS..EExtended strand (participates in β ladder)trans-105.4129172.9-65.4164.6000108.2F15 F35 L59 I60 I72 L76 S84 V85F15-L17 HydrophobicContact CD2-CD1 4.32Å; F15-L17 HydrophobicContact CD2-CG 4.08Å; F15-L17 HydrophobicContact CE2-CD1 3.9Å; F15-L17 HydrophobicContact CE2-CG 4.17Å; L17-F35 HydrophobicContact CD1-CE1 3.55Å; L17-F35 HydrophobicContact CD1-CZ 3.48Å; L17-F35 VanDerWaalsContact CD1-CZ 3.48Å; L17-L59 CarbonylContact O-C 3.58Å; L17-L59 WeakPolarHBondContact O-CA 3.45Å; L17-I60 HydrophobicContact CB-CB 4.28Å; L17-I60 PolarHBondContact N-O 2.68Å; L17-I60 PolarHBondContact O-N 3.46Å; L17-I72 HydrophobicContact CD1-CG2 3.87Å; L17-L76 HydrophobicContact CD1-CD1 3.8Å; L17-S84 WeakPolarHBondContact CA-O 3.19Å; L17-V85 HydrophobicContact CD2-CB 4.07Å; L17-V85 HydrophobicContact CD2-CG1 4.19Å; L17-V85 HydrophobicContact CD2-CG2 3.34Å
18I83.6Confident75.4Confident22 Ų2259.2 Ų59.211%0.11333%0.325CS..EExtended strand (participates in β ladder)trans-106117.1166.4-53.7173.2000106.6F58 L59 V83 S84 L410I18-F58 VanDerWaalsContact CA-O 3.31Å; I18-F58 WeakPolarHBondContact CA-O 3.46Å; I18-L59 HydrophobicContact CD1-CD1 4.48Å; I18-L59 HydrophobicContact CG1-CD1 3.78Å; I18-V83 CarbonylContact O-C 3.57Å; I18-V83 WeakPolarHBondContact O-CA 3.31Å; I18-S84 WeakPolarHBondContact CB-OG 3.37Å; I18-S84 PolarHBondContact N-O 2.78Å; I18-S84 PolarHBondContact O-N 2.98Å; I18-L410 HydrophobicContact CD1-CD1 4.45Å
19I88.5Confident77.5Confident0 Ų060.1 Ų60.10%033%0.325CS..EExtended strand (participates in β ladder)trans-122.5141.6176.865176.2000111.3L21 D57 F58 I60 L76 A80 R82 V83I19-L21 HydrophobicContact CD1-CD1 4Å; I19-L21 HydrophobicContact CD1-CD2 4.15Å; I19-L21 HydrophobicContact CD1-CG 4.07Å; I19-L21 HydrophobicContact CG1-CG 4.31Å; I19-D57 CarbonylContact O-C 3.53Å; I19-D57 WeakPolarHBondContact O-CA 3.11Å; I19-F58 HydrophobicContact CD1-CB 4.4Å; I19-F58 HydrophobicContact CG1-CB 3.73Å; I19-F58 HydrophobicContact CG1-CD2 4.42Å; I19-F58 HydrophobicContact CG1-CG 4.42Å; I19-F58 PolarHBondContact N-O 3.43Å; I19-F58 PolarHBondContact O-N 3.25Å; I19-I60 HydrophobicContact CD1-CD1 3.72Å; I19-I60 HydrophobicContact CG1-CD1 4.17Å; I19-L76 HydrophobicContact CD1-CD2 4.33Å; I19-L76 HydrophobicContact CG2-CD1 4.1Å; I19-A80 HydrophobicContact CB-CB 4.11Å; I19-R82 CarbonylContact C-O 3.55Å; I19-R82 VanDerWaalsContact CA-O 3.24Å; I19-R82 WeakPolarHBondContact CA-O 3.34Å; I19-V83 HydrophobicContact CG2-CB 4.33Å; I19-V83 HydrophobicContact CG2-CG1 3.9Å; I19-V83 HydrophobicContact CG2-CG2 4.11Å
20T87.5Confident79.6Confident13 Ų1352.7 Ų52.78%0.0829%0.291CS..EExtended strand (participates in β ladder)trans-107.2118.1171.5-57.20000108.7C55 Y56 D57 D81 R82T20-C55 HydrophobicContact CG2-CB 3.9Å; T20-Y56 WeakPolarHBondContact CA-O 3.26Å; T20-D57 WeakPolarHBondContact CB-OD1 3.33Å; T20-D57 VanDerWaalsContact CG2-OD1 3.27Å; T20-D57 WeakPolarHBondContact CG2-OD1 3.28Å; T20-D57 PolarHBondContact OG1-OD1 2.89Å; T20-D81 PolarHBondContact O-N 3.4Å; T20-R82 PolarHBondContact N-O 2.77Å
21L90.2Very high81.2Confident2 Ų248.1 Ų48.11%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-111.6145.8179.1-59.2-179.7000110.1I19 E27 L28 C55 Y56 F58 I79 A80I19-L21 HydrophobicContact CD1-CD1 4Å; I19-L21 HydrophobicContact CD1-CD2 4.15Å; I19-L21 HydrophobicContact CD1-CG 4.07Å; I19-L21 HydrophobicContact CG1-CG 4.31Å; L21-E27 HydrophobicContact CB-CB 4.46Å; L21-L28 HydrophobicContact CD1-CB 4.23Å; L21-L28 HydrophobicContact CD1-CD1 4.2Å; L21-C55 CarbonylContact O-C 3.5Å; L21-C55 WeakPolarHBondContact O-CA 3.37Å; L21-C55 VanDerWaalsContact O-CB 3.3Å; L21-C55 WeakPolarHBondContact O-CB 3.25Å; L21-Y56 PolarHBondContact N-O 2.65Å; L21-Y56 PolarHBondContact O-N 2.88Å; L21-F58 HydrophobicContact CB-CD2 4.34Å; L21-F58 HydrophobicContact CB-CE2 3.98Å; L21-F58 HydrophobicContact CD1-CD2 3.9Å; L21-F58 HydrophobicContact CD1-CE2 3.73Å; L21-F58 HydrophobicContact CD1-CZ 4.37Å; L21-F58 HydrophobicContact CG-CD2 4.04Å; L21-F58 HydrophobicContact CG-CE2 4.05Å; L21-I79 HydrophobicContact CD2-CG2 4.26Å; L21-A80 HydrophobicContact CD2-CB 3.6Å
22K87.9Confident82.7Confident130 Ų13050.1 Ų50.157%0.56527%0.271SS*.EExtended strand (participates in β ladder)trans-65.3152.1168.4-71.7-178.5-180175.90110.1G24 G54K22-G24 PolarHBondContact O-N 3.49Å; K22-G54 CarbonylContact C-O 3.57Å
23E85.1Confident84.1Confident131 Ų13152.2 Ų52.261%0.61228%0.281SS*.SBendtrans-58.8111.9175.8178.8171.1-170.300109.8G54 Y56E23-G54 VanDerWaalsContact CB-O 3.31Å; E23-G54 WeakPolarHBondContact CB-O 3.33Å; E23-G54 PolarHBondContact N-O 3.16Å; E23-Y56 HydrophobicContact CB-CD2 4.38Å; E23-Y56 HydrophobicContact CB-CE2 4.12Å; E23-Y56 HydrophobicContact CG-CE2 3.97Å
24G80.2Confident85.4Confident37 Ų3752.2 Ų52.238%0.38128%0.278SS..  trans168.5139.1-175.600000111.1K22 S26 E27K22-G24 PolarHBondContact O-N 3.49Å; G24-S26 VanDerWaalsContact C-N 3.31Å; G24-E27 WeakPolarHBondContact CA-OE2 2.98Å
25V79.6Confident86.3Confident109 Ų10947.8 Ų47.866%0.66126%0.258SS*.Hα-helixtrans-73.3-30177.8179.50000110.8L28 I29V25-L28 PolarHBondContact O-N 3.41Å; V25-I29 HydrophobicContact CG1-CD1 3.63Å; V25-I29 HydrophobicContact CG1-CG1 4.13Å; V25-I29 WeakPolarHBondContact O-CG1 3.49Å; V25-I29 PolarHBondContact O-N 3.06Å
26S84.8Confident86.9Confident90 Ų9054.5 Ų54.563%0.62929%0.29SS*.Hα-helixtrans-62.8-44.6-176-62.60000112.5G24 I29 A30G24-S26 VanDerWaalsContact C-N 3.31Å; S26-I29 PolarHBondContact O-N 3Å; S26-A30 VanDerWaalsContact O-CB 3.29Å; S26-A30 WeakPolarHBondContact O-CB 3.47Å; S26-A30 PolarHBondContact O-N 3.46Å
27E85.8Confident87.4Confident67 Ų6757.2 Ų57.231%0.31332%0.316SS..Hα-helixtrans-65.7-43.4-178.6-69.173.8-170.400110.8L21 G24 A30 S31 I79L21-E27 HydrophobicContact CB-CB 4.46Å; G24-E27 WeakPolarHBondContact CA-OE2 2.98Å; E27-A30 PolarHBondContact O-N 3.07Å; E27-S31 PolarHBondContact O-N 2.74Å; E27-I79 HydrophobicContact CB-CG2 4.46Å
28L86.7Confident87.6Confident48 Ų4859.9 Ų59.925%0.25133%0.328SS..Hα-helixtrans-63.7-47.4176.1178.758.5000111.1L21 V25 A30 S31 L32 I45 F58L21-L28 HydrophobicContact CD1-CB 4.23Å; L21-L28 HydrophobicContact CD1-CD1 4.2Å; V25-L28 PolarHBondContact O-N 3.41Å; L28-A30 VanDerWaalsContact C-N 3.31Å; L28-A30 PolarHBondContact O-N 2.8Å; L28-S31 PolarHBondContact O-N 3.07Å; L28-S31 PolarHBondContact O-OG 3.48Å; L28-L32 HydrophobicContact CD1-CD1 4.22Å; L28-L32 HydrophobicContact CD1-CG 4.27Å; L28-L32 HydrophobicContact CG-CD1 4.25Å; L28-L32 WeakPolarHBondContact O-CG 3.48Å; L28-L32 PolarHBondContact O-N 2.66Å; L28-I45 HydrophobicContact CD1-CD1 4.44Å; L28-F58 HydrophobicContact CD1-CD1 3.92Å; L28-F58 HydrophobicContact CD1-CE1 3.44Å; L28-F58 VanDerWaalsContact CD1-CE1 3.44Å; L28-F58 HydrophobicContact CD1-CE2 4.5Å; L28-F58 HydrophobicContact CD1-CZ 3.78Å; L28-F58 HydrophobicContact CD2-CE1 3.84Å; L28-F58 HydrophobicContact CD2-CZ 4.01Å; L28-F58 HydrophobicContact CG-CE1 4.23Å; L28-F58 HydrophobicContact CG-CZ 4.34Å
29I88.5Confident87.8Confident82 Ų8267.6 Ų67.642%0.42136%0.361SS..Hα-helixtrans-60.4-43.7176.2-69.5174.8000110.6V25 S26 S31 L32 K33V25-I29 HydrophobicContact CG1-CD1 3.63Å; V25-I29 HydrophobicContact CG1-CG1 4.13Å; V25-I29 WeakPolarHBondContact O-CG1 3.49Å; V25-I29 PolarHBondContact O-N 3.06Å; S26-I29 PolarHBondContact O-N 3Å; I29-S31 VanDerWaalsContact C-N 3.33Å; I29-S31 PolarHBondContact O-N 2.85Å; I29-L32 PolarHBondContact O-N 2.78Å; I29-K33 HydrophobicContact CG2-CD 4.11Å; I29-K33 HydrophobicContact CG2-CG 4.39Å; I29-K33 WeakPolarHBondContact O-CG 3.43Å; I29-K33 PolarHBondContact O-N 2.89Å
30A90.3Very high87.6Confident36 Ų3668 Ų6830%0.29836%0.364SS..Hα-helixtrans-60.2-42.7177.600000111.6S26 E27 L28 I79S26-A30 VanDerWaalsContact O-CB 3.29Å; S26-A30 WeakPolarHBondContact O-CB 3.47Å; S26-A30 PolarHBondContact O-N 3.46Å; E27-A30 PolarHBondContact O-N 3.07Å; L28-A30 VanDerWaalsContact C-N 3.31Å; L28-A30 PolarHBondContact O-N 2.8Å; A30-I79 HydrophobicContact CB-CD1 4.05Å; A30-I79 HydrophobicContact CB-CG2 4.36Å
31S89.5Confident87.4Confident0 Ų072.2 Ų72.20%039%0.385CS..Hα-helixtrans-63.8-43175.2690000112.6E27 L28 I29 K33 I34 F35E27-S31 PolarHBondContact O-N 2.74Å; L28-S31 PolarHBondContact O-N 3.07Å; L28-S31 PolarHBondContact O-OG 3.48Å; I29-S31 VanDerWaalsContact C-N 3.33Å; I29-S31 PolarHBondContact O-N 2.85Å; S31-K33 PolarHBondContact O-N 3.42Å; S31-I34 WeakPolarHBondContact O-CB 3.21Å; S31-I34 PolarHBondContact O-N 3.02Å; S31-F35 WeakPolarHBondContact O-CD2 3.3Å
32L89.5Confident87.2Confident67 Ų6774.2 Ų74.235%0.35140%0.398SS..Hα-helixtrans-68.5-34.8-178.2-70.5176.5000112.3L28 I29 I34 F35 E36 I45L28-L32 HydrophobicContact CD1-CD1 4.22Å; L28-L32 HydrophobicContact CD1-CG 4.27Å; L28-L32 HydrophobicContact CG-CD1 4.25Å; L28-L32 WeakPolarHBondContact O-CG 3.48Å; L28-L32 PolarHBondContact O-N 2.66Å; I29-L32 PolarHBondContact O-N 2.78Å; L32-I34 PolarHBondContact O-N 2.85Å; L32-F35 PolarHBondContact O-N 3.47Å; L32-F35 VanDerWaalsContact O-N 3.13Å; L32-E36 PolarHBondContact O-N 3.44Å; L32-E36 VanDerWaalsContact O-N 3.16Å; L32-I45 HydrophobicContact CD2-CD1 4.02Å
33K91.7Very high87Confident126 Ų12671.2 Ų71.255%0.54839%0.39SS..Hα-helixtrans-60.6-28.4174.2-78.5178176.3-179.70113.1I29 S31 A37I29-K33 HydrophobicContact CG2-CD 4.11Å; I29-K33 HydrophobicContact CG2-CG 4.39Å; I29-K33 WeakPolarHBondContact O-CG 3.43Å; I29-K33 PolarHBondContact O-N 2.89Å; S31-K33 PolarHBondContact O-N 3.42Å; K33-A37 VanDerWaalsContact O-CB 3.28Å; K33-A37 WeakPolarHBondContact O-CB 3.38Å; K33-A37 PolarHBondContact O-N 3.46Å
34I92.2Very high87Confident12 Ų1269.1 Ų69.16%0.06238%0.38CS..Hα-helixtrans-64.2-46.1175-67.2167.5000110.2S31 L32 A37 H38 I72 M75 L76 I79S31-I34 WeakPolarHBondContact O-CB 3.21Å; S31-I34 PolarHBondContact O-N 3.02Å; L32-I34 PolarHBondContact O-N 2.85Å; I34-A37 PolarHBondContact O-N 3.47Å; I34-H38 PolarHBondContact O-N 3.4Å; I34-H38 PolarHBondContact O-ND1 3.42Å; I34-I72 HydrophobicContact CG2-CB 4.32Å; I34-I72 HydrophobicContact CG2-CG1 4.01Å; I34-I72 HydrophobicContact CG2-CG2 4.17Å; I34-M75 HydrophobicContact CD1-CB 3.76Å; I34-M75 HydrophobicContact CG1-CB 4.29Å; I34-M75 HydrophobicContact CG1-CE 4.19Å; I34-M75 HydrophobicContact CG2-CB 3.95Å; I34-M75 HydrophobicContact CG2-CE 4.46Å; I34-M75 HydrophobicContact CG2-SD 4.06Å; I34-L76 HydrophobicContact CD1-CD2 4Å; I34-L76 HydrophobicContact CD1-CG 4.35Å; I34-I79 HydrophobicContact CD1-CD1 3.39Å; I34-I79 HydrophobicContact CG1-CD1 4.39Å
35F90.3Very high87.2Confident4 Ų470.6 Ų70.62%0.01838%0.379CS..Hα-helixtrans-63-44.8178.2-64-89.1000111.6L17 S31 L32 A37 H38 K39 V40 V42 I60 C62 I72 L76L17-F35 HydrophobicContact CD1-CE1 3.55Å; L17-F35 HydrophobicContact CD1-CZ 3.48Å; L17-F35 VanDerWaalsContact CD1-CZ 3.48Å; S31-F35 WeakPolarHBondContact O-CD2 3.3Å; L32-F35 PolarHBondContact O-N 3.47Å; L32-F35 VanDerWaalsContact O-N 3.13Å; F35-A37 PolarHBondContact O-N 2.92Å; F35-H38 CarbonylContact O-C 3.52Å; F35-H38 PolarHBondContact O-N 3.36Å; F35-K39 PolarHBondContact O-N 3.42Å; F35-V40 HydrophobicContact CD1-CB 4.41Å; F35-V40 HydrophobicContact CD1-CG1 4.07Å; F35-V40 PolarHBondContact O-N 3.06Å; F35-V40 VanDerWaalsContact O-N 3.12Å; F35-V42 HydrophobicContact CB-CG2 3.97Å; F35-V42 HydrophobicContact CD1-CG2 3.71Å; F35-V42 HydrophobicContact CD2-CG2 4.36Å; F35-V42 HydrophobicContact CE1-CG2 4.29Å; F35-V42 HydrophobicContact CG-CG2 3.76Å; F35-I60 HydrophobicContact CE1-CG2 4.31Å; F35-I60 HydrophobicContact CE2-CD1 3.92Å; F35-I60 HydrophobicContact CZ-CD1 3.84Å; F35-I60 HydrophobicContact CZ-CG2 4.09Å; F35-C62 WeakPolarHBondContact CE1-SG 3.5Å; F35-I72 HydrophobicContact CD1-CD1 3.8Å; F35-I72 HydrophobicContact CD1-CG2 4.22Å; F35-I72 HydrophobicContact CE1-CD1 4.16Å; F35-I72 HydrophobicContact CE1-CG2 3.69Å; F35-I72 HydrophobicContact CE2-CG2 4.47Å; F35-I72 HydrophobicContact CZ-CG2 3.85Å; F35-L76 HydrophobicContact CE2-CD1 4.34Å; F35-L76 HydrophobicContact CE2-CD2 4.39Å; F35-L76 HydrophobicContact CZ-CD1 4Å
36E89.5Confident87.5Confident151 Ų15166.7 Ų66.771%0.70635%0.353SS*.Hα-helixtrans-58.7-47.5176.7-175.2179.1-157.500111.6L32 H38 K39L32-E36 PolarHBondContact O-N 3.44Å; L32-E36 VanDerWaalsContact O-N 3.16Å; E36-H38 VanDerWaalsContact C-N 3.25Å; E36-H38 PolarHBondContact O-N 3.47Å; E36-K39 PolarHBondContact O-N 3.43Å; E36-K39 VanDerWaalsContact O-N 3.15Å
37A90.9Very high87.6Confident75 Ų7565 Ų6562%0.6234%0.342SS*.Hα-helixtrans-61.6-32.318000000113.2K33 I34 F35K33-A37 VanDerWaalsContact O-CB 3.28Å; K33-A37 WeakPolarHBondContact O-CB 3.38Å; K33-A37 PolarHBondContact O-N 3.46Å; I34-A37 PolarHBondContact O-N 3.47Å; F35-A37 PolarHBondContact O-N 2.92Å
38H88.3Confident87.3Confident56 Ų5667 Ų6726%0.25935%0.346SS..THydrogen-bonded Turntrans-96.64.8-179.6-64.379.1000113.3I34 F35 E36 V40 T71 I72 M75I34-H38 PolarHBondContact O-N 3.4Å; I34-H38 PolarHBondContact O-ND1 3.42Å; F35-H38 CarbonylContact O-C 3.52Å; F35-H38 PolarHBondContact O-N 3.36Å; E36-H38 VanDerWaalsContact C-N 3.25Å; E36-H38 PolarHBondContact O-N 3.47Å; H38-V40 HydrophobicContact CB-CG2 4.37Å; H38-V40 PolarHBondContact O-N 3.44Å; H38-V40 VanDerWaalsContact O-N 3.13Å; H38-T71 WeakPolarHBondContact NE2-CG2 3.14Å; H38-I72 HydrophobicContact CB-CD1 4.28Å; H38-I72 HydrophobicContact CB-CG1 4.28Å; H38-M75 PolarHBondContact CE1-SD 3.46Å
39K86.2Confident87.1Confident183 Ų18369.5 Ų69.580%0.79637%0.365SS*.THydrogen-bonded Turntrans54.229.4-179-55.5-179.4179.5178.60113.6F35 E36F35-K39 PolarHBondContact O-N 3.42Å; E36-K39 PolarHBondContact O-N 3.43Å; E36-K39 VanDerWaalsContact O-N 3.15Å
40V84Confident86.8Confident9 Ų966.6 Ų66.66%0.05535%0.352CS..  trans-84.7126.4174.4168.50000108.9F15 F35 H38 V42 C62 E68 I72F15-V40 HydrophobicContact CE1-CG1 4.44Å; F15-V40 HydrophobicContact CZ-CG1 3.79Å; F35-V40 HydrophobicContact CD1-CB 4.41Å; F35-V40 HydrophobicContact CD1-CG1 4.07Å; F35-V40 PolarHBondContact O-N 3.06Å; F35-V40 VanDerWaalsContact O-N 3.12Å; H38-V40 HydrophobicContact CB-CG2 4.37Å; H38-V40 PolarHBondContact O-N 3.44Å; H38-V40 VanDerWaalsContact O-N 3.13Å; V40-V42 PolarHBondContact O-N 2.85Å; V40-C62 HydrophobicContact CG1-CB 3.9Å; V40-E68 HydrophobicContact CG2-CB 3.68Å; V40-E68 HydrophobicContact CG2-CG 4.31Å; V40-I72 HydrophobicContact CB-CD1 3.52Å; V40-I72 HydrophobicContact CG1-CD1 3.83Å; V40-I72 HydrophobicContact CG2-CD1 3.37Å
41N84Confident85.7Confident101 Ų10169.2 Ų69.254%0.5436%0.355SS..EExtended strand (participates in β ladder)trans-80.6115.9-178-174.462.4000110.5V43 C62 N63N41-V43 PolarHBondContact O-N 3.13Å; N41-C62 WeakPolarHBondContact O-CA 3.45Å; N41-N63 PolarHBondContact O-N 3.41Å
42V85.7Confident85.1Confident44 Ų4473.8 Ų73.827%0.26737%0.374SS..EExtended strand (participates in β ladder)trans-80114.7169178.20000108.3F35 V40 I45 I60 E61F35-V42 HydrophobicContact CB-CG2 3.97Å; F35-V42 HydrophobicContact CD1-CG2 3.71Å; F35-V42 HydrophobicContact CD2-CG2 4.36Å; F35-V42 HydrophobicContact CE1-CG2 4.29Å; F35-V42 HydrophobicContact CG-CG2 3.76Å; V40-V42 PolarHBondContact O-N 2.85Å; V42-I45 HydrophobicContact CG1-CB 4.37Å; V42-I60 HydrophobicContact CB-CG2 4.45Å; V42-I60 HydrophobicContact CG1-CG2 3.62Å; V42-I60 HydrophobicContact CG2-CG2 4.04Å; V42-E61 CarbonylContact C-O 3.58Å
43V84.5Confident84.8Confident68 Ų6879.7 Ų79.741%0.41240%0.4SS..EExtended strand (participates in β ladder)trans-84-40-178.4-1790000110.7N41 E61 N63N41-V43 PolarHBondContact O-N 3.13Å; V43-E61 HydrophobicContact CB-CB 4.37Å; V43-E61 HydrophobicContact CB-CG 4.06Å; V43-E61 PolarHBondContact N-O 3.45Å; V43-N63 HydrophobicContact CG2-CB 4.46Å; V43-N63 WeakPolarHBondContact CG2-ND2 3.16Å
44H84Confident84.6Confident87 Ų8775.3 Ų75.340%0.40339%0.391SS..EExtended strand (participates in β ladder)trans-149.1142.2-179-177.867000109.9I60 E61H44-I60 CarbonylContact O-C 3.5Å; H44-I60 WeakPolarHBondContact O-CA 3.34Å; H44-E61 HydrophobicContact CB-CB 3.96Å; H44-E61 PolarHBondContact N-O 2.97Å; H44-E61 PolarHBondContact O-N 2.89Å
45I86Confident84.4Confident68 Ų6875.1 Ų75.135%0.34939%0.39SS..EExtended strand (participates in β ladder)trans-134.1130.4168.6-173.2163.8000108.5L28 L32 V42 F58 L59 I60L28-I45 HydrophobicContact CD1-CD1 4.44Å; L32-I45 HydrophobicContact CD2-CD1 4.02Å; V42-I45 HydrophobicContact CG1-CB 4.37Å; I45-F58 HydrophobicContact CD1-CD1 4.02Å; I45-F58 HydrophobicContact CG1-CD1 4.21Å; I45-L59 WeakPolarHBondContact CA-O 3.43Å; I45-I60 HydrophobicContact CD1-CD1 4.21Å; I45-I60 HydrophobicContact CD1-CG1 4.02Å; I45-I60 HydrophobicContact CG1-CG1 4.11Å
46E84.6Confident84.3Confident27 Ų2779.1 Ų79.113%0.12641%0.406CS..EExtended strand (participates in β ladder)trans-129139.6168.264.7171.2-178.500110.5R48 F58 L59 K104E46-R48 IonicContact OE2-CZ 3.76Å; E46-R48 IonicContact OE2-NH1 3.78Å; E46-R48 IonicContact OE2-NH2 3.68Å; E46-R48 PolarHBondContact OE2-NH2 3.1Å; E46-F58 CarbonylContact O-C 3.07Å; E46-F58 VanDerWaalsContact O-CA 3.31Å; E46-F58 WeakPolarHBondContact O-CA 3.49Å; E46-L59 HydrophobicContact CG-CB 3.84Å; E46-L59 HydrophobicContact CG-CD2 4.26Å; E46-L59 PolarHBondContact N-O 2.88Å; E46-L59 PolarHBondContact O-N 2.86Å; E46-L59 WeakPolarHBondContact OE1-CD2 3.43Å; E46-K104 IonicContact OE1-NZ 2.74Å; E46-K104 PolarHBondContact OE1-NZ 2.81Å; E46-K104 IonicContact OE2-NZ 3.13Å; E46-K104 PolarHBondContact OE2-NZ 3.19Å
47S86.4Confident84Confident55 Ų5574.3 Ų74.339%0.38539%0.385SS..EExtended strand (participates in β ladder)trans-113.8144.7176.265.30000110.9D57S47-D57 CarbonylContact C-O 3.46Å; S47-D57 VanDerWaalsContact CA-O 3.32Å; S47-D57 WeakPolarHBondContact CA-O 3.35Å
48R80.7Confident83.8Confident108 Ų10871.5 Ų71.541%0.40836%0.359SS..EExtended strand (participates in β ladder)trans-135.9150.8170.1-64.3-63.7-179.6-75.2-13.4109.2E46 S50 Y56 D57E46-R48 IonicContact OE2-CZ 3.76Å; E46-R48 IonicContact OE2-NH1 3.78Å; E46-R48 IonicContact OE2-NH2 3.68Å; E46-R48 PolarHBondContact OE2-NH2 3.1Å; R48-S50 PolarHBondContact O-N 2.75Å; R48-S50 VanDerWaalsContact O-N 3.17Å; R48-Y56 CarbonylContact O-C 3.58Å; R48-Y56 WeakPolarHBondContact O-CA 3.31Å; R48-D57 PolarHBondContact N-O 3.17Å; R48-D57 PolarHBondContact O-N 2.86Å
49P83.3Confident83.6Confident100 Ų10070 Ų7065%0.64935%0.353SS*.EExtended strand (participates in β ladder)trans-51.6125.8168.3-23.433.5000109Y56P49-Y56 HydrophobicContact CB-CE1 4.47Å; P49-Y56 HydrophobicContact CG-CE1 4.26Å
50S81.7Confident83.7Confident22 Ų2261.3 Ų61.315%0.15432%0.315CS..  trans-71.1160.2173.2-169.80000108.6R48 K52 C55 D57R48-S50 PolarHBondContact O-N 2.75Å; R48-S50 VanDerWaalsContact O-N 3.17Å; S50-K52 PolarHBondContact OG-N 3.31Å; S50-C55 VanDerWaalsContact CB-C 3.44Å; S50-C55 WeakPolarHBondContact CB-O 3.39Å; S50-C55 PolarHBondContact N-O 3.22Å; S50-D57 WeakPolarHBondContact CA-OD2 3.39Å; S50-D57 WeakPolarHBondContact CB-OD1 3.3Å; S50-D57 PolarHBondContact OG-OD1 2.86Å; S50-D57 PolarHBondContact OG-OD2 2.97Å
51R67.4Low83.7Confident91 Ų9162.2 Ų62.234%0.34332%0.318SS..SBendtrans-74.4-20.5170.6-66.8179.4-179.5177.52.8112.5E53 E409 E415 R419R51-E53 PolarHBondContact O-N 2.97Å; R51-E409 IonicContact CZ-OE2 3.83Å; R51-E409 IonicContact NH2-OE1 3.88Å; R51-E409 PolarHBondContact NH2-OE1 2.97Å; R51-E409 IonicContact NH2-OE2 3.15Å; R51-E409 PolarHBondContact NH2-OE2 3.14Å; R51-E415 VanDerWaalsContact CB-OE1 3.25Å; R51-E415 WeakPolarHBondContact CB-OE1 3.33Å; R51-E415 VanDerWaalsContact CD-OE1 3.31Å; R51-E415 WeakPolarHBondContact CD-OE1 3.19Å; R51-E415 WeakPolarHBondContact CD-OE2 3.15Å; R51-E415 IonicContact CZ-OE2 3.45Å; R51-E415 IonicContact NH1-OE2 3.53Å; R51-E415 PolarHBondContact NH1-OE2 2.96Å; R51-R419 VanDerWaalsContact NH1-NH1 3.17Å; R51-R419 VanDerWaalsContact NH2-NH1 3.17Å
52K77.1Confident83.7Confident95 Ų9557.4 Ų57.441%0.41329%0.293SS..SBendtrans-74.5119.7168.8-172.1173.1-178.5173.20108.3S50 G54 C55 D81S50-K52 PolarHBondContact OG-N 3.31Å; K52-G54 PolarHBondContact O-N 3.1Å; K52-C55 HydrophobicContact CB-CB 4.11Å; K52-C55 HydrophobicContact CG-CB 4.43Å; K52-C55 WeakPolarHBondContact O-CB 3.29Å; K52-C55 PolarHBondContact O-N 2.91Å; K52-C55 VanDerWaalsContact O-N 3.07Å; K52-D81 IonicContact NZ-OD1 2.78Å; K52-D81 PolarHBondContact NZ-OD1 2.84Å; K52-D81 IonicContact NZ-OD2 2.66Å; K52-D81 PolarHBondContact NZ-OD2 3.49Å
53E82.4Confident83.4Confident192 Ų19257.8 Ų57.890%0.89729%0.294SS*.THydrogen-bonded Turntrans-54.6135-179.3-169.8174.4-174.200110.9R51 C55R51-E53 PolarHBondContact O-N 2.97Å; E53-C55 VanDerWaalsContact C-N 3.31Å; E53-C55 PolarHBondContact O-N 2.89Å
54G86.6Confident83Confident34 Ų3454.6 Ų54.635%0.35127%0.274SS..THydrogen-bonded Turntrans66.428-176.500000114K22 E23 K52K22-G54 CarbonylContact C-O 3.57Å; E23-G54 VanDerWaalsContact CB-O 3.31Å; E23-G54 WeakPolarHBondContact CB-O 3.33Å; E23-G54 PolarHBondContact N-O 3.16Å; K52-G54 PolarHBondContact O-N 3.1Å
55C89.1Confident82.7Confident7 Ų754.1 Ų54.15%0.04727%0.273CS..EExtended strand (participates in β ladder)trans-131.5160.1173.6-61.50000111.8T20 L21 S50 K52 E53T20-C55 HydrophobicContact CG2-CB 3.9Å; L21-C55 CarbonylContact O-C 3.5Å; L21-C55 WeakPolarHBondContact O-CA 3.37Å; L21-C55 VanDerWaalsContact O-CB 3.3Å; L21-C55 WeakPolarHBondContact O-CB 3.25Å; S50-C55 VanDerWaalsContact CB-C 3.44Å; S50-C55 WeakPolarHBondContact CB-O 3.39Å; S50-C55 PolarHBondContact N-O 3.22Å; K52-C55 HydrophobicContact CB-CB 4.11Å; K52-C55 HydrophobicContact CG-CB 4.43Å; K52-C55 WeakPolarHBondContact O-CB 3.29Å; K52-C55 PolarHBondContact O-N 2.91Å; K52-C55 VanDerWaalsContact O-N 3.07Å; E53-C55 VanDerWaalsContact C-N 3.31Å; E53-C55 PolarHBondContact O-N 2.89Å
56Y87.3Confident82.1Confident88 Ų8854 Ų5435%0.34527%0.27SS..EExtended strand (participates in β ladder)trans-127.9136.4174.1-72.3-91.3000110.1T20 L21 E23 R48 P49T20-Y56 WeakPolarHBondContact CA-O 3.26Å; L21-Y56 PolarHBondContact N-O 2.65Å; L21-Y56 PolarHBondContact O-N 2.88Å; E23-Y56 HydrophobicContact CB-CD2 4.38Å; E23-Y56 HydrophobicContact CB-CE2 4.12Å; E23-Y56 HydrophobicContact CG-CE2 3.97Å; R48-Y56 CarbonylContact O-C 3.58Å; R48-Y56 WeakPolarHBondContact O-CA 3.31Å; P49-Y56 HydrophobicContact CB-CE1 4.47Å; P49-Y56 HydrophobicContact CG-CE1 4.26Å
57D84.4Confident81.8Confident50 Ų5058.6 Ų58.627%0.26729%0.291SS..EExtended strand (participates in β ladder)trans-93.1132.2172.1-62-29.7000109I19 T20 S47 R48 S50I19-D57 CarbonylContact O-C 3.53Å; I19-D57 WeakPolarHBondContact O-CA 3.11Å; T20-D57 WeakPolarHBondContact CB-OD1 3.33Å; T20-D57 VanDerWaalsContact CG2-OD1 3.27Å; T20-D57 WeakPolarHBondContact CG2-OD1 3.28Å; T20-D57 PolarHBondContact OG1-OD1 2.89Å; S47-D57 CarbonylContact C-O 3.46Å; S47-D57 VanDerWaalsContact CA-O 3.32Å; S47-D57 WeakPolarHBondContact CA-O 3.35Å; R48-D57 PolarHBondContact N-O 3.17Å; R48-D57 PolarHBondContact O-N 2.86Å; S50-D57 WeakPolarHBondContact CA-OD2 3.39Å; S50-D57 WeakPolarHBondContact CB-OD1 3.3Å; S50-D57 PolarHBondContact OG-OD1 2.86Å; S50-D57 PolarHBondContact OG-OD2 2.97Å
58F87Confident81.7Confident17 Ų1758.3 Ų58.38%0.07528%0.284CS..EExtended strand (participates in β ladder)trans-118.1126.4178.3-64.6-101.2000109.8I18 I19 L21 L28 I45 E46 I60I18-F58 VanDerWaalsContact CA-O 3.31Å; I18-F58 WeakPolarHBondContact CA-O 3.46Å; I19-F58 HydrophobicContact CD1-CB 4.4Å; I19-F58 HydrophobicContact CG1-CB 3.73Å; I19-F58 HydrophobicContact CG1-CD2 4.42Å; I19-F58 HydrophobicContact CG1-CG 4.42Å; I19-F58 PolarHBondContact N-O 3.43Å; I19-F58 PolarHBondContact O-N 3.25Å; L21-F58 HydrophobicContact CB-CD2 4.34Å; L21-F58 HydrophobicContact CB-CE2 3.98Å; L21-F58 HydrophobicContact CD1-CD2 3.9Å; L21-F58 HydrophobicContact CD1-CE2 3.73Å; L21-F58 HydrophobicContact CD1-CZ 4.37Å; L21-F58 HydrophobicContact CG-CD2 4.04Å; L21-F58 HydrophobicContact CG-CE2 4.05Å; L28-F58 HydrophobicContact CD1-CD1 3.92Å; L28-F58 HydrophobicContact CD1-CE1 3.44Å; L28-F58 VanDerWaalsContact CD1-CE1 3.44Å; L28-F58 HydrophobicContact CD1-CE2 4.5Å; L28-F58 HydrophobicContact CD1-CZ 3.78Å; L28-F58 HydrophobicContact CD2-CE1 3.84Å; L28-F58 HydrophobicContact CD2-CZ 4.01Å; L28-F58 HydrophobicContact CG-CE1 4.23Å; L28-F58 HydrophobicContact CG-CZ 4.34Å; I45-F58 HydrophobicContact CD1-CD1 4.02Å; I45-F58 HydrophobicContact CG1-CD1 4.21Å; E46-F58 CarbonylContact O-C 3.07Å; E46-F58 VanDerWaalsContact O-CA 3.31Å; E46-F58 WeakPolarHBondContact O-CA 3.49Å; F58-I60 HydrophobicContact CB-CG1 4.29Å
59L83.6Confident81.7Confident25 Ų2553.6 Ų53.613%0.13127%0.268CS..EExtended strand (participates in β ladder)trans-98.6119.1166.1176.869.7000108.1Y16 L17 I18 I45 E46Y16-L59 HydrophobicContact CD1-CD1 4.2Å; L17-L59 CarbonylContact O-C 3.58Å; L17-L59 WeakPolarHBondContact O-CA 3.45Å; I18-L59 HydrophobicContact CD1-CD1 4.48Å; I18-L59 HydrophobicContact CG1-CD1 3.78Å; I45-L59 WeakPolarHBondContact CA-O 3.43Å; E46-L59 HydrophobicContact CG-CB 3.84Å; E46-L59 HydrophobicContact CG-CD2 4.26Å; E46-L59 PolarHBondContact N-O 2.88Å; E46-L59 PolarHBondContact O-N 2.86Å; E46-L59 WeakPolarHBondContact OE1-CD2 3.43Å
60I86.9Confident81.6Confident0 Ų050.7 Ų50.70%025%0.247CC..EExtended strand (participates in β ladder)trans-118.4113.6-176.8-45.5179.8000108.4Y16 L17 I19 F35 V42 H44 I45 F58 C62Y16-I60 CarbonylContact C-O 3.57Å; Y16-I60 VanDerWaalsContact CA-O 3.29Å; Y16-I60 WeakPolarHBondContact CA-O 3.31Å; L17-I60 HydrophobicContact CB-CB 4.28Å; L17-I60 PolarHBondContact N-O 2.68Å; L17-I60 PolarHBondContact O-N 3.46Å; I19-I60 HydrophobicContact CD1-CD1 3.72Å; I19-I60 HydrophobicContact CG1-CD1 4.17Å; F35-I60 HydrophobicContact CE1-CG2 4.31Å; F35-I60 HydrophobicContact CE2-CD1 3.92Å; F35-I60 HydrophobicContact CZ-CD1 3.84Å; F35-I60 HydrophobicContact CZ-CG2 4.09Å; V42-I60 HydrophobicContact CB-CG2 4.45Å; V42-I60 HydrophobicContact CG1-CG2 3.62Å; V42-I60 HydrophobicContact CG2-CG2 4.04Å; H44-I60 CarbonylContact O-C 3.5Å; H44-I60 WeakPolarHBondContact O-CA 3.34Å; I45-I60 HydrophobicContact CD1-CD1 4.21Å; I45-I60 HydrophobicContact CD1-CG1 4.02Å; I45-I60 HydrophobicContact CG1-CG1 4.11Å; F58-I60 HydrophobicContact CB-CG1 4.29Å; I60-C62 VanDerWaalsContact CG2-SG 3.57Å
61E84.1Confident81.8Confident27 Ų2752.4 Ų52.413%0.12626%0.257CS..EExtended strand (participates in β ladder)trans-88.2128.5170.7-176.6179.4163.700109.6K14 Y16 V42 V43 H44K14-E61 WeakPolarHBondContact CE-OE1 3.25Å; K14-E61 IonicContact NZ-OE1 2.78Å; K14-E61 PolarHBondContact NZ-OE1 3.22Å; Y16-E61 HydrophobicContact CD1-CB 3.97Å; Y16-E61 HydrophobicContact CD1-CG 4.16Å; Y16-E61 HydrophobicContact CE1-CB 3.76Å; Y16-E61 HydrophobicContact CE1-CG 3.58Å; Y16-E61 HydrophobicContact CE2-CG 4.49Å; Y16-E61 PolarHBondContact OH-OE1 3.34Å; V42-E61 CarbonylContact C-O 3.58Å; V43-E61 HydrophobicContact CB-CB 4.37Å; V43-E61 HydrophobicContact CB-CG 4.06Å; V43-E61 PolarHBondContact N-O 3.45Å; H44-E61 HydrophobicContact CB-CB 3.96Å; H44-E61 PolarHBondContact N-O 2.97Å; H44-E61 PolarHBondContact O-N 2.89Å
62C84.3Confident82.8Confident0 Ų048.1 Ų48.10%024%0.24CC..EExtended strand (participates in β ladder)trans-133.5150.8-175.6-60.90000111.5K14 F15 F35 V40 N41 I60K14-C62 WeakPolarHBondContact CA-O 3.3Å; F15-C62 HydrophobicContact CD1-CB 4.23Å; F15-C62 HydrophobicContact CD2-CB 3.79Å; F15-C62 HydrophobicContact CE1-CB 3.8Å; F15-C62 HydrophobicContact CE2-CB 3.31Å; F15-C62 HydrophobicContact CG-CB 4.24Å; F15-C62 HydrophobicContact CZ-CB 3.33Å; F15-C62 PolarHBondContact N-O 3.01Å; F15-C62 PolarHBondContact O-N 2.8Å; F35-C62 WeakPolarHBondContact CE1-SG 3.5Å; V40-C62 HydrophobicContact CG1-CB 3.9Å; N41-C62 WeakPolarHBondContact O-CA 3.45Å; I60-C62 VanDerWaalsContact CG2-SG 3.57Å
63N81Confident83.2Confident53 Ų5344.2 Ų44.228%0.28322%0.223SC..EExtended strand (participates in β ladder)trans-111.1125.9167.1-66-18.4000109.4K14 N41 V43K14-N63 VanDerWaalsContact CG-OD1 3.32Å; K14-N63 WeakPolarHBondContact CG-OD1 3.34Å; N41-N63 PolarHBondContact O-N 3.41Å; V43-N63 HydrophobicContact CG2-CB 4.46Å; V43-N63 WeakPolarHBondContact CG2-ND2 3.16Å
64G75.9Confident83.4Confident1 Ų139.9 Ų39.91%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-174.1173.4178.200000114.3K12 G13 E68K12-G64 CarbonylContact C-O 3.59Å; K12-G64 WeakPolarHBondContact CA-O 3.37Å; G13-G64 PolarHBondContact N-O 2.98Å; G13-G64 PolarHBondContact O-N 3.5Å; G13-G64 VanDerWaalsContact O-N 3.12Å; G64-E68 VanDerWaalsContact CA-OE2 3.3Å; G64-E68 WeakPolarHBondContact CA-OE2 3.27Å
65M77.9Confident83.5Confident77 Ų7741.7 Ų41.738%0.37921%0.207SC..  trans-76.1162.2171.8-61.7-170.517600110.5K12 E67 E68 C69K12-M65 HydrophobicContact CG-CG 4.16Å; M65-E67 VanDerWaalsContact C-N 3.33Å; M65-E67 PolarHBondContact O-N 2.97Å; M65-E68 HydrophobicContact CB-CG 4.2Å; M65-E68 PolarHBondContact N-OE2 3.27Å; M65-E68 PolarHBondContact O-N 3.06Å; M65-C69 PolarHBondContact O-N 3.22Å; M65-C69 VanDerWaalsContact O-N 3.08Å
66K71.8Confident83.5Confident65 Ų6541.4 Ų41.428%0.28320%0.204SC..Hα-helixtrans-61.4-44.4-177.7-175.4-165.1170.3-163.80111.3E68 C69 D70 A93K66-E68 VanDerWaalsContact C-N 3.28Å; K66-E68 PolarHBondContact O-N 2.85Å; K66-C69 WeakPolarHBondContact O-CB 3.32Å; K66-C69 PolarHBondContact O-N 2.74Å; K66-C69 VanDerWaalsContact O-N 3.13Å; K66-D70 WeakPolarHBondContact CE-OD2 3.42Å; K66-D70 PolarHBondContact O-N 3.2Å; K66-A93 WeakPolarHBondContact CE-O 3.48Å; K66-A93 PolarHBondContact NZ-O 3.33Å
67E80Confident83.5Confident123 Ų12341.5 Ų41.558%0.57521%0.208SC*.Hα-helixtrans-62.4-37.4-178.7-61.572.7-158.700111.5M65 T71M65-E67 VanDerWaalsContact C-N 3.33Å; M65-E67 PolarHBondContact O-N 2.97Å; E67-T71 WeakPolarHBondContact O-CB 3.44Å; E67-T71 PolarHBondContact O-N 3.4Å; E67-T71 PolarHBondContact O-OG1 3.49Å
68E82.8Confident83.6Confident49 Ų4945.7 Ų45.723%0.22923%0.23CC..Hα-helixtrans-66.4-44175-60.9172.4150.300110.5V40 G64 M65 K66 T71 I72V40-E68 HydrophobicContact CG2-CB 3.68Å; V40-E68 HydrophobicContact CG2-CG 4.31Å; G64-E68 VanDerWaalsContact CA-OE2 3.3Å; G64-E68 WeakPolarHBondContact CA-OE2 3.27Å; M65-E68 HydrophobicContact CB-CG 4.2Å; M65-E68 PolarHBondContact N-OE2 3.27Å; M65-E68 PolarHBondContact O-N 3.06Å; K66-E68 VanDerWaalsContact C-N 3.28Å; K66-E68 PolarHBondContact O-N 2.85Å; E68-T71 PolarHBondContact O-N 3.38Å; E68-I72 WeakPolarHBondContact O-CB 3.46Å; E68-I72 VanDerWaalsContact O-CG1 3.26Å; E68-I72 WeakPolarHBondContact O-CG1 3.49Å; E68-I72 PolarHBondContact O-N 3.29Å
69C80.5Confident83.6Confident10 Ų1047.7 Ų47.77%0.06824%0.241CC..Hα-helixtrans-63-47.9177.3-173.10000112.2F15 M65 K66 T71 I72 F73F15-C69 HydrophobicContact CD1-CB 4.15Å; F15-C69 HydrophobicContact CD2-CB 4.32Å; F15-C69 WeakPolarHBondContact CD2-SG 3.37Å; F15-C69 HydrophobicContact CE1-CB 3.94Å; F15-C69 HydrophobicContact CE2-CB 4.11Å; F15-C69 HydrophobicContact CG-CB 4.32Å; F15-C69 HydrophobicContact CZ-CB 3.9Å; M65-C69 PolarHBondContact O-N 3.22Å; M65-C69 VanDerWaalsContact O-N 3.08Å; K66-C69 WeakPolarHBondContact O-CB 3.32Å; K66-C69 PolarHBondContact O-N 2.74Å; K66-C69 VanDerWaalsContact O-N 3.13Å; C69-T71 VanDerWaalsContact C-N 3.28Å; C69-T71 PolarHBondContact O-N 2.95Å; C69-I72 PolarHBondContact O-N 2.64Å; C69-F73 VanDerWaalsContact O-CB 3.27Å; C69-F73 WeakPolarHBondContact O-CB 3.47Å; C69-F73 PolarHBondContact O-N 3.02Å
70D81.2Confident83.7Confident39 Ų3947 Ų4721%0.20924%0.239CC..Hα-helixtrans-59.9-40177.3-71.2-22.5000110.9K66 N74 C94K66-D70 WeakPolarHBondContact CE-OD2 3.42Å; K66-D70 PolarHBondContact O-N 3.2Å; D70-N74 WeakPolarHBondContact O-CB 3.24Å; D70-N74 VanDerWaalsContact O-CG 3.28Å; D70-N74 PolarHBondContact O-N 2.94Å; D70-N74 VanDerWaalsContact O-N 3.12Å; D70-N74 PolarHBondContact O-ND2 3.06Å; D70-C94 VanDerWaalsContact OD1-CB 3.28Å; D70-C94 WeakPolarHBondContact OD1-CB 3.35Å; D70-C94 PolarHBondContact OD1-SG 3.31Å
71T86.7Confident83.5Confident58 Ų5851.1 Ų51.136%0.35626%0.261SS..Hα-helixtrans-65.1-49.5176.9-570000111.4H38 E67 E68 C69 F73 N74 M75H38-T71 WeakPolarHBondContact NE2-CG2 3.14Å; E67-T71 WeakPolarHBondContact O-CB 3.44Å; E67-T71 PolarHBondContact O-N 3.4Å; E67-T71 PolarHBondContact O-OG1 3.49Å; E68-T71 PolarHBondContact O-N 3.38Å; C69-T71 VanDerWaalsContact C-N 3.28Å; C69-T71 PolarHBondContact O-N 2.95Å; T71-F73 PolarHBondContact O-N 2.69Å; T71-N74 PolarHBondContact O-N 2.87Å; T71-M75 HydrophobicContact CG2-SD 4.17Å; T71-M75 WeakPolarHBondContact O-CG 3.11Å; T71-M75 PolarHBondContact O-N 3.2Å
72I87.9Confident83.4Confident0 Ų053.7 Ų53.70%027%0.269CS..Hα-helixtrans-61.6-44.4178.7-70.5175.8000110.9L17 I34 F35 H38 V40 E68 C69 N74 M75 L76L17-I72 HydrophobicContact CD1-CG2 3.87Å; I34-I72 HydrophobicContact CG2-CB 4.32Å; I34-I72 HydrophobicContact CG2-CG1 4.01Å; I34-I72 HydrophobicContact CG2-CG2 4.17Å; F35-I72 HydrophobicContact CD1-CD1 3.8Å; F35-I72 HydrophobicContact CD1-CG2 4.22Å; F35-I72 HydrophobicContact CE1-CD1 4.16Å; F35-I72 HydrophobicContact CE1-CG2 3.69Å; F35-I72 HydrophobicContact CE2-CG2 4.47Å; F35-I72 HydrophobicContact CZ-CG2 3.85Å; H38-I72 HydrophobicContact CB-CD1 4.28Å; H38-I72 HydrophobicContact CB-CG1 4.28Å; V40-I72 HydrophobicContact CB-CD1 3.52Å; V40-I72 HydrophobicContact CG1-CD1 3.83Å; V40-I72 HydrophobicContact CG2-CD1 3.37Å; E68-I72 WeakPolarHBondContact O-CB 3.46Å; E68-I72 VanDerWaalsContact O-CG1 3.26Å; E68-I72 WeakPolarHBondContact O-CG1 3.49Å; E68-I72 PolarHBondContact O-N 3.29Å; C69-I72 PolarHBondContact O-N 2.64Å; I72-N74 PolarHBondContact O-N 3.21Å; I72-M75 PolarHBondContact O-N 2.91Å; I72-L76 HydrophobicContact CG2-CD1 3.58Å; I72-L76 HydrophobicContact CG2-CG 4.1Å; I72-L76 WeakPolarHBondContact O-CB 3.46Å; I72-L76 VanDerWaalsContact O-CG 3.29Å; I72-L76 WeakPolarHBondContact O-CG 3.18Å; I72-L76 PolarHBondContact O-N 3.19Å
73F85.3Confident83.3Confident13 Ų1354.2 Ų54.26%0.05727%0.273CS..Hα-helixtrans-56.1-50.4178.1177.7-108.6000111.8C69 T71 M75 L76 H77 V83 V85C69-F73 VanDerWaalsContact O-CB 3.27Å; C69-F73 WeakPolarHBondContact O-CB 3.47Å; C69-F73 PolarHBondContact O-N 3.02Å; T71-F73 PolarHBondContact O-N 2.69Å; F73-M75 VanDerWaalsContact C-N 3.31Å; F73-M75 PolarHBondContact O-N 2.87Å; F73-L76 PolarHBondContact O-N 2.79Å; F73-H77 AromaticContact CE1-CD2 3.7Å; F73-H77 AromaticContact CE1-NE2 3.56Å; F73-H77 AromaticContact CE2-NE2 3.58Å; F73-H77 AromaticContact CZ-CD2 3.67Å; F73-H77 AromaticContact CZ-NE2 3.11Å; F73-H77 WeakPolarHBondContact CZ-NE2 3.33Å; F73-H77 PolarHBondContact O-N 3.13Å; F73-V83 HydrophobicContact CD2-CB 4.25Å; F73-V83 HydrophobicContact CD2-CG1 3.35Å; F73-V83 HydrophobicContact CE2-CB 3.97Å; F73-V83 HydrophobicContact CE2-CG1 3.51Å; F73-V83 HydrophobicContact CG-CG1 4.45Å; F73-V85 HydrophobicContact CB-CG2 3.92Å; F73-V85 HydrophobicContact CD2-CB 4.44Å; F73-V85 HydrophobicContact CD2-CG2 3.08Å; F73-V85 HydrophobicContact CE2-CG2 3.61Å; F73-V85 HydrophobicContact CG-CG2 3.63Å
74N86.3Confident83.2Confident101 Ų10152.2 Ų52.254%0.5426%0.263SS..Hα-helixtrans-62.5-37.6178.2-73.2-38.2000112.5D70 T71 I72 N78D70-N74 WeakPolarHBondContact O-CB 3.24Å; D70-N74 VanDerWaalsContact O-CG 3.28Å; D70-N74 PolarHBondContact O-N 2.94Å; D70-N74 VanDerWaalsContact O-N 3.12Å; D70-N74 PolarHBondContact O-ND2 3.06Å; T71-N74 PolarHBondContact O-N 2.87Å; I72-N74 PolarHBondContact O-N 3.21Å; N74-N78 PolarHBondContact O-ND2 3.16Å
75M89.9Confident83.2Confident73 Ų7352.3 Ų52.336%0.3626%0.263SS..Hα-helixtrans-71.9-38.1178.4-70.2-177.476.900112.5I34 H38 T71 I72 F73 H77 N78I34-M75 HydrophobicContact CD1-CB 3.76Å; I34-M75 HydrophobicContact CG1-CB 4.29Å; I34-M75 HydrophobicContact CG1-CE 4.19Å; I34-M75 HydrophobicContact CG2-CB 3.95Å; I34-M75 HydrophobicContact CG2-CE 4.46Å; I34-M75 HydrophobicContact CG2-SD 4.06Å; H38-M75 PolarHBondContact CE1-SD 3.46Å; T71-M75 HydrophobicContact CG2-SD 4.17Å; T71-M75 WeakPolarHBondContact O-CG 3.11Å; T71-M75 PolarHBondContact O-N 3.2Å; I72-M75 PolarHBondContact O-N 2.91Å; F73-M75 VanDerWaalsContact C-N 3.31Å; F73-M75 PolarHBondContact O-N 2.87Å; M75-H77 VanDerWaalsContact C-N 3.27Å; M75-H77 PolarHBondContact O-N 3.26Å; M75-N78 WeakPolarHBondContact O-CB 3.29Å; M75-N78 PolarHBondContact O-N 2.81Å; M75-N78 VanDerWaalsContact O-N 3.16Å; M75-N78 PolarHBondContact O-ND2 2.95Å
76L89.5Confident82.8Confident0 Ų048.6 Ų48.60%025%0.245CC..Hα-helixtrans-64.8-31.7177.8-74.4170.4000112.1L17 I19 I34 F35 I72 F73 N78 I79 A80 V83L17-L76 HydrophobicContact CD1-CD1 3.8Å; I19-L76 HydrophobicContact CD1-CD2 4.33Å; I19-L76 HydrophobicContact CG2-CD1 4.1Å; I34-L76 HydrophobicContact CD1-CD2 4Å; I34-L76 HydrophobicContact CD1-CG 4.35Å; F35-L76 HydrophobicContact CE2-CD1 4.34Å; F35-L76 HydrophobicContact CE2-CD2 4.39Å; F35-L76 HydrophobicContact CZ-CD1 4Å; I72-L76 HydrophobicContact CG2-CD1 3.58Å; I72-L76 HydrophobicContact CG2-CG 4.1Å; I72-L76 WeakPolarHBondContact O-CB 3.46Å; I72-L76 VanDerWaalsContact O-CG 3.29Å; I72-L76 WeakPolarHBondContact O-CG 3.18Å; I72-L76 PolarHBondContact O-N 3.19Å; F73-L76 PolarHBondContact O-N 2.79Å; L76-N78 PolarHBondContact O-N 2.94Å; L76-N78 VanDerWaalsContact O-N 3.1Å; L76-I79 PolarHBondContact O-N 3.49Å; L76-A80 WeakPolarHBondContact O-CB 3.45Å; L76-A80 PolarHBondContact O-N 2.88Å; L76-V83 HydrophobicContact CB-CG1 4.06Å; L76-V83 HydrophobicContact CB-CG2 3.85Å; L76-V83 HydrophobicContact CD1-CG1 4.47Å
77H86.3Confident82.6Confident90 Ų9046.6 Ų46.642%0.41724%0.239SC..THydrogen-bonded Turntrans-59.4-20.1174.9-95.2-61.5000113.9F73 M75F73-H77 AromaticContact CE1-CD2 3.7Å; F73-H77 AromaticContact CE1-NE2 3.56Å; F73-H77 AromaticContact CE2-NE2 3.58Å; F73-H77 AromaticContact CZ-CD2 3.67Å; F73-H77 AromaticContact CZ-NE2 3.11Å; F73-H77 WeakPolarHBondContact CZ-NE2 3.33Å; F73-H77 PolarHBondContact O-N 3.13Å; M75-H77 VanDerWaalsContact C-N 3.27Å; M75-H77 PolarHBondContact O-N 3.26Å
78N87Confident81.6Confident139 Ų13942.5 Ų42.574%0.74322%0.219SC*.THydrogen-bonded Turntrans-83-12.9176.1-60.1-53.1000113.6N74 M75 L76N74-N78 PolarHBondContact O-ND2 3.16Å; M75-N78 WeakPolarHBondContact O-CB 3.29Å; M75-N78 PolarHBondContact O-N 2.81Å; M75-N78 VanDerWaalsContact O-N 3.16Å; M75-N78 PolarHBondContact O-ND2 2.95Å; L76-N78 PolarHBondContact O-N 2.94Å; L76-N78 VanDerWaalsContact O-N 3.1Å
79I86.5Confident80.2Confident58 Ų5841.3 Ų41.330%0.29722%0.22SC..THydrogen-bonded Turntrans-117.9-40.6-173.7-64.1159.7000111.1L21 E27 A30 I34 L76L21-I79 HydrophobicContact CD2-CG2 4.26Å; E27-I79 HydrophobicContact CB-CG2 4.46Å; A30-I79 HydrophobicContact CB-CD1 4.05Å; A30-I79 HydrophobicContact CB-CG2 4.36Å; I34-I79 HydrophobicContact CD1-CD1 3.39Å; I34-I79 HydrophobicContact CG1-CD1 4.39Å; L76-I79 PolarHBondContact O-N 3.49Å
80A85.9Confident78.5Confident10 Ų1043.4 Ų43.48%0.08323%0.234CC..  trans-92.4145.2-17500000112I19 L21 L76 R82 V83I19-A80 HydrophobicContact CB-CB 4.11Å; L21-A80 HydrophobicContact CD2-CB 3.6Å; L76-A80 WeakPolarHBondContact O-CB 3.45Å; L76-A80 PolarHBondContact O-N 2.88Å; A80-R82 VanDerWaalsContact C-N 3.27Å; A80-R82 PolarHBondContact O-N 2.78Å; A80-V83 HydrophobicContact CB-CG2 3.66Å
81D83.4Confident76.9Confident87 Ų8748.8 Ų48.847%0.46526%0.258SS..SBendtrans-67.7-33.3175.8-169.683.9000111.2T20 K52T20-D81 PolarHBondContact O-N 3.4Å; K52-D81 IonicContact NZ-OD1 2.78Å; K52-D81 PolarHBondContact NZ-OD1 2.84Å; K52-D81 IonicContact NZ-OD2 2.66Å; K52-D81 PolarHBondContact NZ-OD2 3.49Å
82R81.4Confident74.8Confident81 Ų8150 Ų5031%0.30626%0.256SS..EExtended strand (participates in β ladder)trans-140.2139.8175-169.2-177.8-169.7157.313.9109.4I19 T20 A80I19-R82 CarbonylContact C-O 3.55Å; I19-R82 VanDerWaalsContact CA-O 3.24Å; I19-R82 WeakPolarHBondContact CA-O 3.34Å; T20-R82 PolarHBondContact N-O 2.77Å; A80-R82 VanDerWaalsContact C-N 3.27Å; A80-R82 PolarHBondContact O-N 2.78Å
83V81.9Confident72.9Confident12 Ų1253 Ų537%0.07328%0.28CS..EExtended strand (participates in β ladder)trans-134.4134.1171-171.20000107.6I18 I19 F73 L76 A80I18-V83 CarbonylContact O-C 3.57Å; I18-V83 WeakPolarHBondContact O-CA 3.31Å; I19-V83 HydrophobicContact CG2-CB 4.33Å; I19-V83 HydrophobicContact CG2-CG1 3.9Å; I19-V83 HydrophobicContact CG2-CG2 4.11Å; F73-V83 HydrophobicContact CD2-CB 4.25Å; F73-V83 HydrophobicContact CD2-CG1 3.35Å; F73-V83 HydrophobicContact CE2-CB 3.97Å; F73-V83 HydrophobicContact CE2-CG1 3.51Å; F73-V83 HydrophobicContact CG-CG1 4.45Å; L76-V83 HydrophobicContact CB-CG1 4.06Å; L76-V83 HydrophobicContact CB-CG2 3.85Å; L76-V83 HydrophobicContact CD1-CG1 4.47Å; A80-V83 HydrophobicContact CB-CG2 3.66Å
84S78.5Confident71Confident11 Ų1153.3 Ų53.38%0.07728%0.284CS..EExtended strand (participates in β ladder)trans-140.3141.116864.40000110L17 I18L17-S84 WeakPolarHBondContact CA-O 3.19Å; I18-S84 WeakPolarHBondContact CB-OG 3.37Å; I18-S84 PolarHBondContact N-O 2.78Å; I18-S84 PolarHBondContact O-N 2.98Å
85V77.2Confident69.3Low2 Ų260 Ų601%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-104.3133.2174.8-173.10000108.9F15 Y16 L17 F73 A97 V98F15-V85 HydrophobicContact CB-CG1 4.4Å; Y16-V85 CarbonylContact O-C 3.58Å; Y16-V85 WeakPolarHBondContact O-CA 3.35Å; L17-V85 HydrophobicContact CD2-CB 4.07Å; L17-V85 HydrophobicContact CD2-CG1 4.19Å; L17-V85 HydrophobicContact CD2-CG2 3.34Å; F73-V85 HydrophobicContact CB-CG2 3.92Å; F73-V85 HydrophobicContact CD2-CB 4.44Å; F73-V85 HydrophobicContact CD2-CG2 3.08Å; F73-V85 HydrophobicContact CE2-CG2 3.61Å; F73-V85 HydrophobicContact CG-CG2 3.63Å; V85-A97 HydrophobicContact CB-CB 4.29Å; V85-A97 HydrophobicContact CG1-CB 4.45Å; V85-A97 WeakPolarHBondContact O-CA 3.28Å; V85-V98 PolarHBondContact O-N 2.9Å
86Q69.7Low67.9Low0 Ų062.1 Ų62.10%032%0.315CS..EExtended strand (participates in β ladder)trans-112.5135.7165.1-59.5176.2-5.300109.5F15 Y16 V98 W100F15-Q86 CarbonylContact C-O 3.59Å; F15-Q86 WeakPolarHBondContact CA-O 3.38Å; Y16-Q86 PolarHBondContact N-O 3.46Å; Y16-Q86 PolarHBondContact O-N 2.89Å; Q86-V98 VanDerWaalsContact CA-O 3.26Å; Q86-V98 WeakPolarHBondContact CA-O 3.49Å; Q86-W100 HydrophobicContact CB-CB 4.39Å
87S65.9Low66.9Low23 Ų2363.4 Ų63.416%0.16133%0.325CS..EExtended strand (participates in β ladder)trans-129.8146.8176.163.30000111.2W100S87-W100 WeakPolarHBondContact O-CB 3.49Å; S87-W100 PolarHBondContact O-N 3.47Å
88F60.8Low66.5Low36 Ų3660 Ų6016%0.15831%0.31CS..SBendtrans-85.6129.1168.3-77.5-79.4000109.3K14 Y16 W100K14-F88 HydrophobicContact CB-CD2 4.43Å; Y16-F88 HydrophobicContact CD2-CD2 4.35Å; Y16-F88 HydrophobicContact CD2-CE2 4.18Å; Y16-F88 AromaticContact CE2-CD2 3.61Å; Y16-F88 HydrophobicContact CE2-CD2 3.61Å; Y16-F88 AromaticContact CE2-CE2 3.24Å; Y16-F88 HydrophobicContact CE2-CE2 3.24Å; Y16-F88 HydrophobicContact CE2-CZ 4.39Å; Y16-F88 AromaticContact CZ-CE2 3.76Å; F88-W100 HydrophobicContact CD1-CB 4.02Å; F88-W100 AromaticContact CD1-CD2 3.93Å; F88-W100 HydrophobicContact CD1-CD2 3.93Å; F88-W100 AromaticContact CD1-CE3 3.88Å; F88-W100 HydrophobicContact CD1-CE3 3.88Å; F88-W100 HydrophobicContact CD1-CG 4.01Å; F88-W100 HydrophobicContact CD2-CB 4.32Å; F88-W100 HydrophobicContact CD2-CD2 4.43Å; F88-W100 HydrophobicContact CD2-CG 4.05Å; F88-W100 HydrophobicContact CE1-CB 4.19Å; F88-W100 AromaticContact CE1-CD2 3.16Å; F88-W100 HydrophobicContact CE1-CD2 3.16Å; F88-W100 AromaticContact CE1-CE2 3.74Å; F88-W100 AromaticContact CE1-CE3 3.04Å; F88-W100 HydrophobicContact CE1-CE3 3.04Å; F88-W100 AromaticContact CE1-CG 3.69Å; F88-W100 HydrophobicContact CE1-CG 3.69Å; F88-W100 AromaticContact CE1-CH2 3.99Å; F88-W100 HydrophobicContact CE1-CH2 3.99Å; F88-W100 HydrophobicContact CE1-CZ2 4.13Å; F88-W100 AromaticContact CE1-CZ3 3.47Å; F88-W100 HydrophobicContact CE1-CZ3 3.47Å; F88-W100 VanDerWaalsContact CE1-CZ3 3.47Å; F88-W100 HydrophobicContact CE2-CB 4.46Å; F88-W100 AromaticContact CE2-CD1 3.68Å; F88-W100 AromaticContact CE2-CD2 3.75Å; F88-W100 HydrophobicContact CE2-CD2 3.75Å; F88-W100 AromaticContact CE2-CE2 3.73Å; F88-W100 HydrophobicContact CE2-CE3 4.46Å; F88-W100 AromaticContact CE2-CG 3.72Å; F88-W100 HydrophobicContact CE2-CG 3.72Å; F88-W100 HydrophobicContact CE2-CZ2 4.39Å; F88-W100 AromaticContact CE2-NE1 3.67Å; F88-W100 HydrophobicContact CG-CB 4.12Å; F88-W100 HydrophobicContact CG-CG 4.2Å; F88-W100 HydrophobicContact CZ-CB 4.41Å; F88-W100 AromaticContact CZ-CD1 3.83Å; F88-W100 AromaticContact CZ-CD2 3.07Å; F88-W100 HydrophobicContact CZ-CD2 3.07Å; F88-W100 AromaticContact CZ-CE2 3.12Å; F88-W100 AromaticContact CZ-CE3 3.42Å; F88-W100 HydrophobicContact CZ-CE3 3.42Å; F88-W100 VanDerWaalsContact CZ-CE3 3.42Å; F88-W100 AromaticContact CZ-CG 3.55Å; F88-W100 HydrophobicContact CZ-CG 3.55Å; F88-W100 AromaticContact CZ-CH2 3.78Å; F88-W100 HydrophobicContact CZ-CH2 3.78Å; F88-W100 AromaticContact CZ-CZ2 3.5Å; F88-W100 HydrophobicContact CZ-CZ2 3.5Å; F88-W100 AromaticContact CZ-CZ3 3.75Å; F88-W100 HydrophobicContact CZ-CZ3 3.75Å; F88-W100 AromaticContact CZ-NE1 3.58Å
89G53Low66.2Low24 Ų2454.8 Ų54.825%0.24728%0.284CS..SBendtrans120.8173.1172.100000114.6Q91G89-Q91 PolarHBondContact O-N 3.39Å; G89-Q91 VanDerWaalsContact O-N 3.09Å
90P44Very low66.2Low54 Ų5452.9 Ų52.935%0.35127%0.274SS..SBendtrans-72.7110.6-176.222.1-7.2000106.9Y4 R92Y4-P90 HydrophobicContact CD2-CB 3.59Å; Y4-P90 HydrophobicContact CD2-CG 3.68Å; Y4-P90 HydrophobicContact CE2-CB 4.06Å; Y4-P90 HydrophobicContact CG-CB 4.39Å; Y4-P90 HydrophobicContact CG-CG 4.09Å; P90-R92 VanDerWaalsContact C-N 3.32Å; P90-R92 PolarHBondContact O-N 3.31Å
91Q47.8Very low66.3Low153 Ų15352.6 Ų52.672%0.71527%0.27SS*.  trans1670.8174-74.4-179.4-9.300113.6G89 A93G89-Q91 PolarHBondContact O-N 3.39Å; G89-Q91 VanDerWaalsContact O-N 3.09Å; Q91-A93 VanDerWaalsContact C-N 3.29Å; Q91-A93 PolarHBondContact O-N 3.12Å
92R43.7Very low66.6Low84 Ų8448.6 Ų48.632%0.31725%0.249SC..  trans-65.2106.9159.2-85.8-175.3169.5-157-7104.5G11 P90 C94G11-R92 PolarHBondContact O-NH1 2.93Å; G11-R92 PolarHBondContact O-NH2 2.85Å; P90-R92 VanDerWaalsContact C-N 3.32Å; P90-R92 PolarHBondContact O-N 3.31Å; R92-C94 PolarHBondContact O-N 3.39Å
93A46.6Very low66.9Low61 Ų6146.2 Ų46.250%0.50424%0.241SC..SBendtrans-60.157.1-159.400000116.6K66 Q91K66-A93 WeakPolarHBondContact CE-O 3.48Å; K66-A93 PolarHBondContact NZ-O 3.33Å; Q91-A93 VanDerWaalsContact C-N 3.29Å; Q91-A93 PolarHBondContact O-N 3.12Å
94C46.1Very low67.3Low21 Ų2146.7 Ų46.714%0.14224%0.243CC..  trans-78110.2151.7-172.70000104.7D70 R92 D96 A97D70-C94 VanDerWaalsContact OD1-CB 3.28Å; D70-C94 WeakPolarHBondContact OD1-CB 3.35Å; D70-C94 PolarHBondContact OD1-SG 3.31Å; R92-C94 PolarHBondContact O-N 3.39Å; C94-D96 PolarHBondContact O-N 2.84Å; C94-A97 HydrophobicContact CB-CB 3.8Å; C94-A97 PolarHBondContact O-N 2.85Å; C94-A97 VanDerWaalsContact O-N 3.09Å
95R49.7Very low67.8Low242 Ų24246.9 Ų46.991%0.91324%0.242SC*.THydrogen-bonded Turntrans-58.3-17.2-170.9-79.6-177.8174.4177.9-2.1113.5
96D61.6Low68.3Low117 Ų11751.1 Ų51.163%0.62626%0.261SS*.THydrogen-bonded Turntrans-114.65.8-176.1-54.4-44.3000113.6C94C94-D96 PolarHBondContact O-N 2.84Å
97A67.7Low69.2Low27 Ų2752.4 Ų52.422%0.22327%0.267CS..PPolyproline II helixtrans-77.4130.9179.300000111.7V85 C94V85-A97 HydrophobicContact CB-CB 4.29Å; V85-A97 HydrophobicContact CG1-CB 4.45Å; V85-A97 WeakPolarHBondContact O-CA 3.28Å; C94-A97 HydrophobicContact CB-CB 3.8Å; C94-A97 PolarHBondContact O-N 2.85Å; C94-A97 VanDerWaalsContact O-N 3.09Å
98V77.3Confident70.3Confident17 Ų1751.3 Ų51.310%0.10326%0.26CS..EExtended strand (participates in β ladder)trans-86.2133.2174.9177.90000108.4V85 Q86 W100 F101 A396 F397V85-V98 PolarHBondContact O-N 2.9Å; Q86-V98 VanDerWaalsContact CA-O 3.26Å; Q86-V98 WeakPolarHBondContact CA-O 3.49Å; V98-W100 PolarHBondContact O-N 2.83Å; V98-F101 HydrophobicContact CG1-CE1 4.45Å; V98-A396 HydrophobicContact CG2-CB 3.61Å; V98-F397 HydrophobicContact CG2-CE2 3.94Å
99P82.3Confident71.6Confident31 Ų3150.7 Ų50.720%0.20126%0.258CS..EExtended strand (participates in β ladder)trans-50.4136.1173.6-29.736.2000111.5G299P99-G299 WeakPolarHBondContact CD-O 3.45Å; P99-G299 WeakPolarHBondContact O-CA 3.47Å
100W85Confident73Confident18 Ų1853.9 Ų53.97%0.06827%0.269CS..PPolyproline II helixtrans-58.7147.9177.6-179.994.4000111.6Y16 Q86 S87 F88 V98 P102 D107 L110 F111Y16-W100 AromaticContact CD2-CD1 3.48Å; Y16-W100 VanDerWaalsContact CD2-CD1 3.48Å; Y16-W100 AromaticContact CD2-NE1 3.86Å; Y16-W100 AromaticContact CE2-CD1 3.76Å; Y16-W100 AromaticContact CE2-NE1 3.83Å; Q86-W100 HydrophobicContact CB-CB 4.39Å; S87-W100 WeakPolarHBondContact O-CB 3.49Å; S87-W100 PolarHBondContact O-N 3.47Å; F88-W100 HydrophobicContact CD1-CB 4.02Å; F88-W100 AromaticContact CD1-CD2 3.93Å; F88-W100 HydrophobicContact CD1-CD2 3.93Å; F88-W100 AromaticContact CD1-CE3 3.88Å; F88-W100 HydrophobicContact CD1-CE3 3.88Å; F88-W100 HydrophobicContact CD1-CG 4.01Å; F88-W100 HydrophobicContact CD2-CB 4.32Å; F88-W100 HydrophobicContact CD2-CD2 4.43Å; F88-W100 HydrophobicContact CD2-CG 4.05Å; F88-W100 HydrophobicContact CE1-CB 4.19Å; F88-W100 AromaticContact CE1-CD2 3.16Å; F88-W100 HydrophobicContact CE1-CD2 3.16Å; F88-W100 AromaticContact CE1-CE2 3.74Å; F88-W100 AromaticContact CE1-CE3 3.04Å; F88-W100 HydrophobicContact CE1-CE3 3.04Å; F88-W100 AromaticContact CE1-CG 3.69Å; F88-W100 HydrophobicContact CE1-CG 3.69Å; F88-W100 AromaticContact CE1-CH2 3.99Å; F88-W100 HydrophobicContact CE1-CH2 3.99Å; F88-W100 HydrophobicContact CE1-CZ2 4.13Å; F88-W100 AromaticContact CE1-CZ3 3.47Å; F88-W100 HydrophobicContact CE1-CZ3 3.47Å; F88-W100 VanDerWaalsContact CE1-CZ3 3.47Å; F88-W100 HydrophobicContact CE2-CB 4.46Å; F88-W100 AromaticContact CE2-CD1 3.68Å; F88-W100 AromaticContact CE2-CD2 3.75Å; F88-W100 HydrophobicContact CE2-CD2 3.75Å; F88-W100 AromaticContact CE2-CE2 3.73Å; F88-W100 HydrophobicContact CE2-CE3 4.46Å; F88-W100 AromaticContact CE2-CG 3.72Å; F88-W100 HydrophobicContact CE2-CG 3.72Å; F88-W100 HydrophobicContact CE2-CZ2 4.39Å; F88-W100 AromaticContact CE2-NE1 3.67Å; F88-W100 HydrophobicContact CG-CB 4.12Å; F88-W100 HydrophobicContact CG-CG 4.2Å; F88-W100 HydrophobicContact CZ-CB 4.41Å; F88-W100 AromaticContact CZ-CD1 3.83Å; F88-W100 AromaticContact CZ-CD2 3.07Å; F88-W100 HydrophobicContact CZ-CD2 3.07Å; F88-W100 AromaticContact CZ-CE2 3.12Å; F88-W100 AromaticContact CZ-CE3 3.42Å; F88-W100 HydrophobicContact CZ-CE3 3.42Å; F88-W100 VanDerWaalsContact CZ-CE3 3.42Å; F88-W100 AromaticContact CZ-CG 3.55Å; F88-W100 HydrophobicContact CZ-CG 3.55Å; F88-W100 AromaticContact CZ-CH2 3.78Å; F88-W100 HydrophobicContact CZ-CH2 3.78Å; F88-W100 AromaticContact CZ-CZ2 3.5Å; F88-W100 HydrophobicContact CZ-CZ2 3.5Å; F88-W100 AromaticContact CZ-CZ3 3.75Å; F88-W100 HydrophobicContact CZ-CZ3 3.75Å; F88-W100 AromaticContact CZ-NE1 3.58Å; V98-W100 PolarHBondContact O-N 2.83Å; W100-P102 HydrophobicContact CH2-CB 3.91Å; W100-P102 HydrophobicContact CH2-CG 4.49Å; W100-P102 HydrophobicContact CZ3-CB 4.4Å; W100-D107 HydrophobicContact CH2-CB 4.36Å; W100-D107 HydrophobicContact CZ2-CB 4.34Å; W100-L110 HydrophobicContact CH2-CD1 4.04Å; W100-L110 HydrophobicContact CZ2-CD1 3.75Å; W100-F111 AromaticContact CH2-CD1 4Å; W100-F111 HydrophobicContact CH2-CD1 4Å; W100-F111 HydrophobicContact CH2-CE1 4.1Å; W100-F111 AromaticContact CZ3-CD1 3.76Å; W100-F111 HydrophobicContact CZ3-CD1 3.76Å; W100-F111 AromaticContact CZ3-CE1 3.92Å; W100-F111 HydrophobicContact CZ3-CE1 3.92Å
101F88.2Confident74.7Confident4 Ų451.3 Ų51.32%0.01825%0.253CS..  trans-144.9151.9173.158.1-91.3000110.8V98 Q103 L298 F399 L410V98-F101 HydrophobicContact CG1-CE1 4.45Å; F101-Q103 HydrophobicContact CD2-CG 4.3Å; F101-Q103 HydrophobicContact CE2-CG 3.88Å; F101-Q103 PolarHBondContact O-N 2.93Å; F101-L298 HydrophobicContact CB-CB 4.04Å; F101-L298 HydrophobicContact CB-CD2 4.12Å; F101-L298 HydrophobicContact CD2-CB 4.16Å; F101-L298 HydrophobicContact CG-CB 4.03Å; F101-F399 HydrophobicContact CD1-CZ 4.41Å; F101-F399 HydrophobicContact CD2-CE1 4.34Å; F101-F399 AromaticContact CE1-CE1 3.87Å; F101-F399 HydrophobicContact CE1-CE1 3.87Å; F101-F399 AromaticContact CE1-CZ 3.89Å; F101-F399 HydrophobicContact CE1-CZ 3.89Å; F101-F399 HydrophobicContact CE2-CD1 4.29Å; F101-F399 AromaticContact CE2-CE1 3.62Å; F101-F399 HydrophobicContact CE2-CE1 3.62Å; F101-F399 HydrophobicContact CE2-CZ 4.37Å; F101-F399 HydrophobicContact CZ-CD1 4.41Å; F101-F399 AromaticContact CZ-CE1 3.37Å; F101-F399 HydrophobicContact CZ-CE1 3.37Å; F101-F399 AromaticContact CZ-CZ 3.89Å; F101-F399 HydrophobicContact CZ-CZ 3.89Å; F101-L410 HydrophobicContact CZ-CD2 3.95Å; F101-L410 HydrophobicContact CZ-CG 4.38Å
102P89.8Confident75.9Confident2 Ų244.3 Ų44.31%0.01322%0.221CC..  trans-64.3133.6174.725.2-33000110.8W100 D107 L108 F111 A243 F247W100-P102 HydrophobicContact CH2-CB 3.91Å; W100-P102 HydrophobicContact CH2-CG 4.49Å; W100-P102 HydrophobicContact CZ3-CB 4.4Å; P102-D107 HydrophobicContact CB-CB 3.71Å; P102-L108 HydrophobicContact CB-CD2 4.14Å; P102-L108 HydrophobicContact CG-CD2 3.93Å; P102-F111 HydrophobicContact CB-CE1 4.09Å; P102-F111 HydrophobicContact CG-CE1 3.82Å; P102-F111 HydrophobicContact CG-CZ 4.16Å; P102-A243 HydrophobicContact CG-CB 3.94Å; P102-F247 HydrophobicContact CB-CE2 3.98Å; P102-F247 HydrophobicContact CB-CZ 4.19Å; P102-F247 HydrophobicContact CG-CE2 3.75Å; P102-F247 HydrophobicContact CG-CZ 4.41Å; P102-F247 VanDerWaalsContact O-CZ 3.29Å; P102-F247 WeakPolarHBondContact O-CZ 3.34Å
103Q88.8Confident77.3Confident31 Ų3143.6 Ų43.615%0.14522%0.223CC..SBendtrans-101.6-28.4178-65.6-174.128.100112.2F101 D107 R407 V408F101-Q103 HydrophobicContact CD2-CG 4.3Å; F101-Q103 HydrophobicContact CE2-CG 3.88Å; F101-Q103 PolarHBondContact O-N 2.93Å; Q103-D107 PolarHBondContact N-OD2 3.4Å; Q103-R407 CarbonylContact O-C 3.58Å; Q103-R407 VanDerWaalsContact O-CA 3.3Å; Q103-R407 WeakPolarHBondContact O-CA 3.3Å; Q103-V408 PolarHBondContact O-N 3.24Å
104K89.2Confident78.8Confident23 Ų2343.9 Ų43.910%0.121%0.211CC..BIsolated β-bridgetrans-117.4149.2177-59.2163-171158.90108.2E46 K106 D107 R407E46-K104 IonicContact OE1-NZ 2.74Å; E46-K104 PolarHBondContact OE1-NZ 2.81Å; E46-K104 IonicContact OE2-NZ 3.13Å; E46-K104 PolarHBondContact OE2-NZ 3.19Å; K104-K106 HydrophobicContact CB-CG 3.84Å; K104-K106 HydrophobicContact CD-CG 4.5Å; K104-K106 PolarHBondContact O-N 3.28Å; K104-D107 PolarHBondContact N-OD2 2.67Å; K104-D107 VanDerWaalsContact O-CB 3.27Å; K104-D107 WeakPolarHBondContact O-CB 3.5Å; K104-D107 PolarHBondContact O-N 3.15Å; K104-R407 HydrophobicContact CG-CG 4.12Å
105I89.5Confident80.1Confident14 Ų1444.8 Ų44.87%0.07222%0.216CC..G310 helixtrans-54.9-28.2176.1-168.9164000113.4D107 L108 Q150 I154 F247 V249 Q406I105-D107 VanDerWaalsContact C-N 3.28Å; I105-D107 PolarHBondContact O-N 2.97Å; I105-L108 HydrophobicContact CG1-CD1 4.18Å; I105-L108 WeakPolarHBondContact O-CB 3.46Å; I105-L108 WeakPolarHBondContact O-CG 3.5Å; I105-L108 PolarHBondContact O-N 2.82Å; I105-Q150 HydrophobicContact CG1-CG 4.15Å; I105-I154 HydrophobicContact CB-CD1 4.39Å; I105-I154 HydrophobicContact CD1-CD1 3.85Å; I105-I154 HydrophobicContact CG1-CD1 4.06Å; I105-I154 HydrophobicContact CG2-CD1 3.47Å; I105-I154 VanDerWaalsContact CG2-CD1 3.47Å; I105-F247 VanDerWaalsContact CA-CD1 3.46Å; I105-F247 HydrophobicContact CB-CD1 3.71Å; I105-F247 HydrophobicContact CB-CE1 4.38Å; I105-F247 HydrophobicContact CB-CG 4.4Å; I105-F247 HydrophobicContact CD1-CB 4.37Å; I105-F247 HydrophobicContact CG1-CB 4.16Å; I105-F247 HydrophobicContact CG1-CD1 4.23Å; I105-F247 HydrophobicContact CG1-CG 4.46Å; I105-F247 VanDerWaalsContact N-CE1 3.28Å; I105-V249 HydrophobicContact CD1-CG2 3.85Å; I105-V249 HydrophobicContact CG1-CG2 4.05Å; I105-Q406 HydrophobicContact CB-CB 4.17Å; I105-Q406 HydrophobicContact CG2-CB 3.8Å; I105-Q406 PolarHBondContact N-O 2.92Å; I105-Q406 VanDerWaalsContact N-O 3.15Å
106K87Confident81.1Confident91 Ų9137.1 Ų37.140%0.39619%0.193SC..G310 helixtrans-69.7-23.4175.270.7171.2-171.3166.30114.2K104 L108 D109 Y151K104-K106 HydrophobicContact CB-CG 3.84Å; K104-K106 HydrophobicContact CD-CG 4.5Å; K104-K106 PolarHBondContact O-N 3.28Å; K106-L108 PolarHBondContact O-N 2.82Å; K106-D109 VanDerWaalsContact O-CB 3.27Å; K106-D109 WeakPolarHBondContact O-CB 3.31Å; K106-D109 PolarHBondContact O-N 3.15Å; K106-Y151 HydrophobicContact CB-CG 4.36Å; K106-Y151 HydrophobicContact CD-CD2 4.39Å
107D89.3Confident81.6Confident27 Ų2734.4 Ų34.414%0.14418%0.18CC..G310 helixtrans-71.7-12.6-178.2-55.9-21.4000110.9W100 P102 Q103 K104 I105 D109 L110W100-D107 HydrophobicContact CH2-CB 4.36Å; W100-D107 HydrophobicContact CZ2-CB 4.34Å; P102-D107 HydrophobicContact CB-CB 3.71Å; Q103-D107 PolarHBondContact N-OD2 3.4Å; K104-D107 PolarHBondContact N-OD2 2.67Å; K104-D107 VanDerWaalsContact O-CB 3.27Å; K104-D107 WeakPolarHBondContact O-CB 3.5Å; K104-D107 PolarHBondContact O-N 3.15Å; I105-D107 VanDerWaalsContact C-N 3.28Å; I105-D107 PolarHBondContact O-N 2.97Å; D107-D109 PolarHBondContact O-N 2.8Å; D107-L110 HydrophobicContact CB-CD1 4.06Å; D107-L110 VanDerWaalsContact O-CB 3.25Å; D107-L110 WeakPolarHBondContact O-CB 3.49Å; D107-L110 WeakPolarHBondContact O-CG 3.26Å; D107-L110 PolarHBondContact O-N 3.19Å
108L89.7Confident81.7Confident0 Ų035.7 Ų35.70%018%0.18CC..G310 helixtrans-60.3-24.7167.4-56-179.7000112.2P102 I105 K106 L110 F111 A112 F247 V249P102-L108 HydrophobicContact CB-CD2 4.14Å; P102-L108 HydrophobicContact CG-CD2 3.93Å; I105-L108 HydrophobicContact CG1-CD1 4.18Å; I105-L108 WeakPolarHBondContact O-CB 3.46Å; I105-L108 WeakPolarHBondContact O-CG 3.5Å; I105-L108 PolarHBondContact O-N 2.82Å; K106-L108 PolarHBondContact O-N 2.82Å; L108-L110 PolarHBondContact O-N 3.37Å; L108-F111 HydrophobicContact CB-CZ 4.27Å; L108-F111 HydrophobicContact CD2-CE1 3.96Å; L108-F111 HydrophobicContact CD2-CE2 4.18Å; L108-F111 HydrophobicContact CD2-CZ 3.32Å; L108-F111 HydrophobicContact CG-CZ 4.38Å; L108-A112 PolarHBondContact O-N 3.39Å; L108-F247 HydrophobicContact CD1-CB 4.25Å; L108-F247 HydrophobicContact CD1-CG 4.45Å; L108-F247 HydrophobicContact CD2-CD2 4.04Å; L108-F247 HydrophobicContact CD2-CE2 4.45Å; L108-V249 HydrophobicContact CD1-CB 3.68Å; L108-V249 HydrophobicContact CD1-CG1 3.87Å; L108-V249 HydrophobicContact CD1-CG2 3.59Å
109D86.8Confident81.3Confident23 Ų2335.4 Ų35.412%0.12318%0.18CC..G310 helixtrans-64.4-19.8173.6-70.1-33.5000112.6K106 D107 R149 Q150 Y151 R230K106-D109 VanDerWaalsContact O-CB 3.27Å; K106-D109 WeakPolarHBondContact O-CB 3.31Å; K106-D109 PolarHBondContact O-N 3.15Å; D107-D109 PolarHBondContact O-N 2.8Å; D109-R149 WeakPolarHBondContact OD1-CA 3.43Å; D109-Q150 PolarHBondContact OD1-N 3.05Å; D109-Q150 PolarHBondContact OD2-N 3.12Å; D109-Q150 VanDerWaalsContact OD2-N 3.12Å; D109-Y151 PolarHBondContact OD2-N 3.16Å; D109-R230 IonicContact OD1-CZ 3.54Å; D109-R230 IonicContact OD1-NH1 2.58Å; D109-R230 PolarHBondContact OD1-NH1 3.28Å; D109-R230 IonicContact OD1-NH2 3.32Å; D109-R230 PolarHBondContact OD1-NH2 3.28Å
110L83.9Confident80.7Confident92 Ų9235.9 Ų35.948%0.48219%0.187SC..G310 helixtrans-76.7-21.5-175-61.5173.7000114.1W100 D107 L108W100-L110 HydrophobicContact CH2-CD1 4.04Å; W100-L110 HydrophobicContact CZ2-CD1 3.75Å; D107-L110 HydrophobicContact CB-CD1 4.06Å; D107-L110 VanDerWaalsContact O-CB 3.25Å; D107-L110 WeakPolarHBondContact O-CB 3.49Å; D107-L110 WeakPolarHBondContact O-CG 3.26Å; D107-L110 PolarHBondContact O-N 3.19Å; L108-L110 PolarHBondContact O-N 3.37Å
111F79.5Confident80.3Confident0 Ų043.5 Ų43.50%022%0.223CC..THydrogen-bonded Turntrans-127.6-0.2-176.357.1-105.3000113.6W100 P102 L108 D113 R114 D240 A243W100-F111 AromaticContact CH2-CD1 4Å; W100-F111 HydrophobicContact CH2-CD1 4Å; W100-F111 HydrophobicContact CH2-CE1 4.1Å; W100-F111 AromaticContact CZ3-CD1 3.76Å; W100-F111 HydrophobicContact CZ3-CD1 3.76Å; W100-F111 AromaticContact CZ3-CE1 3.92Å; W100-F111 HydrophobicContact CZ3-CE1 3.92Å; P102-F111 HydrophobicContact CB-CE1 4.09Å; P102-F111 HydrophobicContact CG-CE1 3.82Å; P102-F111 HydrophobicContact CG-CZ 4.16Å; L108-F111 HydrophobicContact CB-CZ 4.27Å; L108-F111 HydrophobicContact CD2-CE1 3.96Å; L108-F111 HydrophobicContact CD2-CE2 4.18Å; L108-F111 HydrophobicContact CD2-CZ 3.32Å; L108-F111 HydrophobicContact CG-CZ 4.38Å; F111-D113 PolarHBondContact O-N 3.41Å; F111-D113 VanDerWaalsContact O-N 3.1Å; F111-R114 HydrophobicContact CB-CG 4.33Å; F111-R114 WeakPolarHBondContact O-CB 3.27Å; F111-R114 PolarHBondContact O-N 3.04Å; F111-D240 HydrophobicContact CB-CB 4.44Å; F111-D240 HydrophobicContact CD2-CB 3.51Å; F111-D240 HydrophobicContact CE2-CB 3.8Å; F111-D240 VanDerWaalsContact CE2-O 3.3Å; F111-D240 WeakPolarHBondContact CE2-O 3.05Å; F111-D240 HydrophobicContact CG-CB 4.07Å; F111-A243 HydrophobicContact CZ-CB 4.44Å
112A72.8Confident79.9Confident5 Ų544.1 Ų44.14%0.04123%0.227CC..THydrogen-bonded Turntrans-59.2-23.7178.100000113.5L108L108-A112 PolarHBondContact O-N 3.39Å
113D72.2Confident79.5Confident70 Ų7047.8 Ų47.837%0.37425%0.246SC..THydrogen-bonded Turntrans-87.3-4.9177.7-63.4-29.7000113.3F111 V115 H146 R149F111-D113 PolarHBondContact O-N 3.41Å; F111-D113 VanDerWaalsContact O-N 3.1Å; D113-V115 PolarHBondContact O-N 3.46Å; D113-H146 VanDerWaalsContact OD1-CA 3.32Å; D113-H146 WeakPolarHBondContact OD1-CA 3.39Å; D113-H146 IonicContact OD1-CE1 3.61Å; D113-H146 IonicContact OD1-CG 2.69Å; D113-H146 IonicContact OD1-ND1 2.78Å; D113-H146 PolarHBondContact OD1-ND1 2.77Å; D113-R149 IonicContact OD2-NH2 3.89Å
114R77.9Confident79.3Confident67 Ų6750 Ų5025%0.25327%0.27SS..  trans-83.958-178-62.7-177.8177.2159.5-2.3112.1D6 F111D6-R114 IonicContact OD2-CZ 2.94Å; D6-R114 IonicContact OD2-NE 2.67Å; D6-R114 IonicContact OD2-NH2 2.88Å; D6-R114 PolarHBondContact OD2-NH2 3.32Å; F111-R114 HydrophobicContact CB-CG 4.33Å; F111-R114 WeakPolarHBondContact O-CB 3.27Å; F111-R114 PolarHBondContact O-N 3.04Å
115V73.3Confident79.1Confident39 Ų3955.8 Ų55.824%0.23630%0.302CS..EExtended strand (participates in β ladder)trans-76.4126.9177.4177.10000110.5D113 T117 A233 L236D113-V115 PolarHBondContact O-N 3.46Å; V115-T117 WeakPolarHBondContact CG1-O 3.43Å; V115-A233 HydrophobicContact CG2-CB 3.88Å; V115-L236 HydrophobicContact CG2-CD2 4.37Å
116L71.5Confident78.9Confident82 Ų8255.8 Ų55.843%0.42930%0.302SS..EExtended strand (participates in β ladder)trans-85.1-47.8179.1-64.3178000112.1L235L116-L235 HydrophobicContact CB-CD2 4.41Å; L116-L235 WeakPolarHBondContact CB-O 3.42Å; L116-L235 HydrophobicContact CD1-CD2 4.23Å; L116-L235 PolarHBondContact N-O 3.22Å
117T71.9Confident79Confident60 Ų6054.1 Ų54.137%0.36830%0.3SS..EExtended strand (participates in β ladder)trans-151.1168.8-173.250.60000110.6V115 G119 L235V115-T117 WeakPolarHBondContact CG1-O 3.43Å; T117-G119 PolarHBondContact O-N 2.97Å; T117-L235 PolarHBondContact O-N 3.25Å
118Y70.6Confident79.1Confident53 Ų5352.8 Ų52.821%0.20829%0.293CS..SBendtrans58.929.1176.6-48.2-48.1000114.2R138 G234 L235 E267Y118-R138 VanDerWaalsContact C-NH2 3.28Å; Y118-R138 PolarHBondContact O-NH2 3.13Å; Y118-G234 WeakPolarHBondContact O-CA 3.48Å; Y118-L235 HydrophobicContact CD2-CB 4.19Å; Y118-L235 HydrophobicContact CD2-CD1 4.38Å; Y118-L235 HydrophobicContact CE2-CD1 4.47Å; Y118-E267 WeakPolarHBondContact CB-OE1 3.36Å; Y118-E267 HydrophobicContact CD1-CG 3.52Å; Y118-E267 VanDerWaalsContact CD1-OE1 3.23Å; Y118-E267 WeakPolarHBondContact CD1-OE1 3.3Å; Y118-E267 HydrophobicContact CD2-CG 4.46Å; Y118-E267 HydrophobicContact CE1-CG 4.01Å; Y118-E267 HydrophobicContact CG-CB 4.34Å; Y118-E267 HydrophobicContact CG-CG 3.77Å
119G68.8Low79.1Confident11 Ų1156.4 Ų56.411%0.11331%0.309CS..SBendtrans-83.9-130.3175.300000112.5T117 R138 A233T117-G119 PolarHBondContact O-N 2.97Å; G119-R138 PolarHBondContact O-NE 2.8Å; G119-R138 PolarHBondContact O-NH2 3.08Å; G119-R138 VanDerWaalsContact O-NH2 3.09Å; G119-A233 WeakPolarHBondContact CA-O 3.25Å
120A69.9Low79.3Confident41 Ų4164.2 Ų64.234%0.33934%0.342SS..SBendtrans-78.2-25.6171.500000113K139 A142A120-K139 HydrophobicContact CB-CB 4.43Å; A120-A142 HydrophobicContact CB-CB 4.19Å
121E76.2Confident79.8Confident178 Ų17862.2 Ų62.283%0.83233%0.332SS*.SBendtrans-91.6124.1175.6-63-173.3173.100109.4
122L79.9Confident80.6Confident17 Ų1768.2 Ų68.29%0.08936%0.359CS..  trans-104.2145.1-177.6-54.4177.2000109.7H126 F129 Y134 R135 R138L122-H126 HydrophobicContact CB-CB 4.1Å; L122-F129 WeakPolarHBondContact O-CD2 3.42Å; L122-Y134 HydrophobicContact CD1-CD1 3.78Å; L122-Y134 HydrophobicContact CD1-CE1 3.8Å; L122-R135 HydrophobicContact CD1-CG 3.91Å; L122-R138 VanDerWaalsContact CD2-CZ 3.48Å
123D80.8Confident81.7Confident79 Ų7972.5 Ų72.542%0.42239%0.385SS..  trans-64.6153.7172.8-66.4-41.3000111.5D125 H126 F129D123-D125 VanDerWaalsContact CB-OD1 3.24Å; D123-D125 WeakPolarHBondContact CB-OD1 3.46Å; D123-D125 PolarHBondContact O-N 3.36Å; D123-H126 WeakPolarHBondContact O-CB 3.45Å; D123-H126 PolarHBondContact O-N 3.32Å; D123-F129 VanDerWaalsContact O-CD2 3.26Å; D123-F129 WeakPolarHBondContact O-CD2 3.39Å
124A84.7Confident82.8Confident79 Ų7970.2 Ų70.265%0.65337%0.371SS*.THydrogen-bonded Turntrans-64.2-23.3-172.900000114.3F129A124-F129 HydrophobicContact CB-CE1 4.33Å; A124-F129 HydrophobicContact CB-CE2 4.35Å; A124-F129 HydrophobicContact CB-CZ 4.21Å
125D84.3Confident83.5Confident143 Ų14371.4 Ų71.477%0.76538%0.376SS*.THydrogen-bonded Turntrans-90.3-7.6176.964.3-26.9000113.3D123D123-D125 VanDerWaalsContact CB-OD1 3.24Å; D123-D125 WeakPolarHBondContact CB-OD1 3.46Å; D123-D125 PolarHBondContact O-N 3.36Å
126H86.4Confident84.6Confident14 Ų1477.2 Ų77.27%0.06539%0.394CS..SBendtrans-63.6134.6176.9-175.5-78.9000110.6L122 D123 G128 F129 Y134 E267L122-H126 HydrophobicContact CB-CB 4.1Å; D123-H126 WeakPolarHBondContact O-CB 3.45Å; D123-H126 PolarHBondContact O-N 3.32Å; H126-G128 PolarHBondContact CE1-N 3.3Å; H126-G128 PolarHBondContact ND1-N 3Å; H126-G128 PolarHBondContact O-N 2.79Å; H126-F129 WeakPolarHBondContact O-CB 3.29Å; H126-F129 PolarHBondContact O-N 2.95Å; H126-Y134 AromaticContact CE1-CE1 3.45Å; H126-Y134 VanDerWaalsContact CE1-CE1 3.45Å; H126-Y134 WeakPolarHBondContact CE1-CE1 3.41Å; H126-Y134 AromaticContact CE1-CZ 3.96Å; H126-E267 IonicContact CD2-OE1 3.62Å; H126-E267 IonicContact CD2-OE2 2.65Å; H126-E267 IonicContact NE2-OE1 3.52Å; H126-E267 IonicContact NE2-OE2 3.25Å; H126-E267 PolarHBondContact NE2-OE2 3.42Å
127P89.4Confident85.7Confident56 Ų5675.8 Ų75.836%0.36438%0.382SS..THydrogen-bonded Turntrans-57.4-30.5-175.719.9-33.1000114.1H258P127-H258 HydrophobicContact CB-CB 4.18Å; P127-H258 HydrophobicContact CG-CB 3.94Å
128G90Very high86.8Confident0 Ų073 Ų730%037%0.365CS..THydrogen-bonded Turntrans-87.54175.200000116H126 K130 D131H126-G128 PolarHBondContact CE1-N 3.3Å; H126-G128 PolarHBondContact ND1-N 3Å; H126-G128 PolarHBondContact O-N 2.79Å; G128-K130 VanDerWaalsContact C-N 3.29Å; G128-K130 PolarHBondContact O-N 3.04Å; G128-D131 PolarHBondContact O-N 3.21Å
129F90Very high87.9Confident75 Ų7576.2 Ų76.233%0.32938%0.38SS..THydrogen-bonded Turntrans-58.6-38.9-174.9179.5-104.7000113.1L122 D123 A124 H126 R135L122-F129 WeakPolarHBondContact O-CD2 3.42Å; D123-F129 VanDerWaalsContact O-CD2 3.26Å; D123-F129 WeakPolarHBondContact O-CD2 3.39Å; A124-F129 HydrophobicContact CB-CE1 4.33Å; A124-F129 HydrophobicContact CB-CE2 4.35Å; A124-F129 HydrophobicContact CB-CZ 4.21Å; H126-F129 WeakPolarHBondContact O-CB 3.29Å; H126-F129 PolarHBondContact O-N 2.95Å; F129-R135 WeakPolarHBondContact O-CD 3.21Å; F129-R135 PolarHBondContact O-NE 2.91Å; F129-R135 PolarHBondContact O-NH1 3.32Å
130K91.9Very high89.1Confident188 Ų18879.7 Ų79.782%0.81740%0.395SS*.THydrogen-bonded Turntrans-90.8-3.7178.3-63.7-173.2-179.9177.70113.7G128 E132G128-K130 VanDerWaalsContact C-N 3.29Å; G128-K130 PolarHBondContact O-N 3.04Å; K130-E132 PolarHBondContact O-N 3.14Å
131D94.3Very high90.4Very high50 Ų5078 Ų7827%0.26738%0.381SS..  trans-89106.1178.9-174.3-20.8000110G128 V133 Y134 R135 H258G128-D131 PolarHBondContact O-N 3.21Å; D131-V133 VanDerWaalsContact C-N 3.31Å; D131-V133 PolarHBondContact O-N 2.96Å; D131-V133 WeakPolarHBondContact OD1-CA 3.34Å; D131-V133 WeakPolarHBondContact OD1-CB 3.38Å; D131-V133 PolarHBondContact OD1-N 3.44Å; D131-Y134 PolarHBondContact OD1-N 2.96Å; D131-R135 WeakPolarHBondContact O-CB 3.36Å; D131-R135 VanDerWaalsContact O-CG 3.31Å; D131-R135 WeakPolarHBondContact O-CG 3.3Å; D131-R135 PolarHBondContact O-N 3.36Å; D131-R135 PolarHBondContact O-NE 2.89Å; D131-H258 IonicContact OD2-NE2 3.46Å; D131-H258 PolarHBondContact OD2-NE2 3.38Å
132E94.9Very high91.1Very high125 Ų12569.7 Ų69.758%0.58434%0.342SS*.Hα-helixtrans-66.2-29.2176.4-74.9-179.5-173.800114.1K130 R136K130-E132 PolarHBondContact O-N 3.14Å; E132-R136 WeakPolarHBondContact O-CB 3.45Å; E132-R136 WeakPolarHBondContact O-CG 3.47Å; E132-R136 PolarHBondContact O-N 3.09Å; E132-R136 PolarHBondContact O-NE 3.45Å; E132-R136 VanDerWaalsContact O-NE 3.11Å
133V96.3Very high91.7Very high96 Ų9672.3 Ų72.358%0.58236%0.356SS*.Hα-helixtrans-72.1-49.3176.8-179.60000108.7D131 R135 R136 R137D131-V133 VanDerWaalsContact C-N 3.31Å; D131-V133 PolarHBondContact O-N 2.96Å; D131-V133 WeakPolarHBondContact OD1-CA 3.34Å; D131-V133 WeakPolarHBondContact OD1-CB 3.38Å; D131-V133 PolarHBondContact OD1-N 3.44Å; V133-R135 PolarHBondContact O-N 2.97Å; V133-R136 PolarHBondContact O-N 2.87Å; V133-R137 WeakPolarHBondContact O-CB 3.48Å; V133-R137 PolarHBondContact O-N 3.05Å
134Y95.6Very high92.3Very high21 Ų2170 Ų708%0.08234%0.343CS..Hα-helixtrans-61.2-43.6178-172.8-98.4000112.5L122 H126 D131 R136 R137 R138 I256 H258L122-Y134 HydrophobicContact CD1-CD1 3.78Å; L122-Y134 HydrophobicContact CD1-CE1 3.8Å; H126-Y134 AromaticContact CE1-CE1 3.45Å; H126-Y134 VanDerWaalsContact CE1-CE1 3.45Å; H126-Y134 WeakPolarHBondContact CE1-CE1 3.41Å; H126-Y134 AromaticContact CE1-CZ 3.96Å; D131-Y134 PolarHBondContact OD1-N 2.96Å; Y134-R136 PolarHBondContact O-N 3.17Å; Y134-R137 WeakPolarHBondContact O-CB 3.33Å; Y134-R137 PolarHBondContact O-N 2.91Å; Y134-R137 VanDerWaalsContact O-N 3.16Å; Y134-R138 HydrophobicContact CD1-CG 4.06Å; Y134-R138 HydrophobicContact CE1-CG 3.72Å; Y134-R138 WeakPolarHBondContact O-CG 3.33Å; Y134-R138 PolarHBondContact O-N 3.02Å; Y134-R138 PolarHBondContact OH-NH1 2.76Å; Y134-I256 WeakPolarHBondContact CE2-O 3.49Å; Y134-I256 PolarHBondContact OH-O 2.99Å; Y134-I256 VanDerWaalsContact OH-O 3.06Å; Y134-H258 AromaticContact CD2-CD2 3.7Å; Y134-H258 HydrophobicContact CE2-CB 4.11Å; Y134-H258 AromaticContact CG-CD2 3.69Å
135R93.3Very high92.6Very high93 Ų9366.4 Ų66.435%0.35131%0.314SS..Hα-helixtrans-61.7-43.4176.4-73.6-176.5-63.7172.72.5112.9L122 F129 D131 V133 R137 R138 K139L122-R135 HydrophobicContact CD1-CG 3.91Å; F129-R135 WeakPolarHBondContact O-CD 3.21Å; F129-R135 PolarHBondContact O-NE 2.91Å; F129-R135 PolarHBondContact O-NH1 3.32Å; D131-R135 WeakPolarHBondContact O-CB 3.36Å; D131-R135 VanDerWaalsContact O-CG 3.31Å; D131-R135 WeakPolarHBondContact O-CG 3.3Å; D131-R135 PolarHBondContact O-N 3.36Å; D131-R135 PolarHBondContact O-NE 2.89Å; V133-R135 PolarHBondContact O-N 2.97Å; R135-R137 VanDerWaalsContact C-N 3.3Å; R135-R137 PolarHBondContact O-N 2.65Å; R135-R138 PolarHBondContact O-N 3.49Å; R135-K139 PolarHBondContact O-N 3.37Å; R135-K139 VanDerWaalsContact O-N 3.07Å
136R94.9Very high92.8Very high160 Ų16062.4 Ų62.460%0.60429%0.29SS*.Hα-helixtrans-63-39.5173.8-77.6-176.7-69.7-165.9-0.9111.4E132 V133 Y134 K139 I140E132-R136 WeakPolarHBondContact O-CB 3.45Å; E132-R136 WeakPolarHBondContact O-CG 3.47Å; E132-R136 PolarHBondContact O-N 3.09Å; E132-R136 PolarHBondContact O-NE 3.45Å; E132-R136 VanDerWaalsContact O-NE 3.11Å; V133-R136 PolarHBondContact O-N 2.87Å; Y134-R136 PolarHBondContact O-N 3.17Å; R136-K139 WeakPolarHBondContact O-CB 3.46Å; R136-K139 PolarHBondContact O-N 3.1Å; R136-I140 WeakPolarHBondContact O-CG1 3.37Å; R136-I140 PolarHBondContact O-N 3.16Å
137R96.3Very high92.9Very high52 Ų5267.1 Ų67.120%0.19632%0.316CS..Hα-helixtrans-63.3-43.5176.9-169.260.7169.3176.90.1111.8V133 Y134 R135 K139 I140 F141 E165 E170V133-R137 WeakPolarHBondContact O-CB 3.48Å; V133-R137 PolarHBondContact O-N 3.05Å; Y134-R137 WeakPolarHBondContact O-CB 3.33Å; Y134-R137 PolarHBondContact O-N 2.91Å; Y134-R137 VanDerWaalsContact O-N 3.16Å; R135-R137 VanDerWaalsContact C-N 3.3Å; R135-R137 PolarHBondContact O-N 2.65Å; R137-K139 PolarHBondContact O-N 3.28Å; R137-I140 WeakPolarHBondContact O-CB 3.46Å; R137-I140 PolarHBondContact O-N 3.4Å; R137-F141 HydrophobicContact CG-CD2 4.45Å; R137-F141 HydrophobicContact CG-CE2 3.87Å; R137-F141 WeakPolarHBondContact O-CD2 2.99Å; R137-F141 PolarHBondContact O-N 3.01Å; R137-E165 PolarHBondContact NH2-O 3.15Å; R137-E170 VanDerWaalsContact CG-OE1 3.28Å; R137-E170 WeakPolarHBondContact CG-OE1 3.38Å; R137-E170 IonicContact CZ-OE1 3.91Å; R137-E170 IonicContact CZ-OE2 3.55Å; R137-E170 IonicContact NE-OE1 3.55Å; R137-E170 PolarHBondContact NE-OE1 3.36Å; R137-E170 IonicContact NE-OE2 3.63Å; R137-E170 IonicContact NH2-OE1 3.02Å; R137-E170 IonicContact NH2-OE2 2.79Å; R137-E170 PolarHBondContact NH2-OE2 2.95Å
138R94.4Very high93Very high3 Ų364.9 Ų64.91%0.01130%0.3CS..Hα-helixtrans-60-40.9173.3-75.6-70.3-72.2-87-0.9113.2Y118 G119 L122 Y134 R135 I140 F141 A142 Y255 E267Y118-R138 VanDerWaalsContact C-NH2 3.28Å; Y118-R138 PolarHBondContact O-NH2 3.13Å; G119-R138 PolarHBondContact O-NE 2.8Å; G119-R138 PolarHBondContact O-NH2 3.08Å; G119-R138 VanDerWaalsContact O-NH2 3.09Å; L122-R138 VanDerWaalsContact CD2-CZ 3.48Å; Y134-R138 HydrophobicContact CD1-CG 4.06Å; Y134-R138 HydrophobicContact CE1-CG 3.72Å; Y134-R138 WeakPolarHBondContact O-CG 3.33Å; Y134-R138 PolarHBondContact O-N 3.02Å; Y134-R138 PolarHBondContact OH-NH1 2.76Å; R135-R138 PolarHBondContact O-N 3.49Å; R138-I140 VanDerWaalsContact C-N 3.32Å; R138-I140 PolarHBondContact O-N 3.05Å; R138-F141 PolarHBondContact O-N 3.33Å; R138-A142 PolarHBondContact O-N 3.16Å; R138-Y255 VanDerWaalsContact CD-CB 3.48Å; R138-Y255 VanDerWaalsContact CD-CG 3.45Å; R138-E267 IonicContact CZ-OE1 2.71Å; R138-E267 IonicContact CZ-OE2 3.64Å; R138-E267 IonicContact NH1-OE1 3.58Å; R138-E267 PolarHBondContact NH1-OE1 2.88Å; R138-E267 IonicContact NH1-OE2 3.74Å; R138-E267 PolarHBondContact NH1-OE2 3.36Å; R138-E267 IonicContact NH2-OE1 2.76Å; R138-E267 PolarHBondContact NH2-OE1 3.4Å; R138-E267 IonicContact NH2-OE2 2.8Å; R138-E267 PolarHBondContact NH2-OE2 2.72Å
139K93.2Very high92.8Very high119 Ų11968.8 Ų68.852%0.51732%0.315SS..Hα-helixtrans-59-41174.5-178.4171178.71350112.5A120 R135 R136 R137 F141 A142 D143A120-K139 HydrophobicContact CB-CB 4.43Å; R135-K139 PolarHBondContact O-N 3.37Å; R135-K139 VanDerWaalsContact O-N 3.07Å; R136-K139 WeakPolarHBondContact O-CB 3.46Å; R136-K139 PolarHBondContact O-N 3.1Å; R137-K139 PolarHBondContact O-N 3.28Å; K139-F141 VanDerWaalsContact C-N 3.34Å; K139-F141 PolarHBondContact O-N 3.46Å; K139-A142 PolarHBondContact O-N 2.83Å; K139-D143 WeakPolarHBondContact O-CB 3.49Å; K139-D143 VanDerWaalsContact O-CG 3.25Å; K139-D143 PolarHBondContact O-N 2.83Å
140I95.2Very high92.1Very high84 Ų8465.6 Ų65.643%0.43130%0.301SS..Hα-helixtrans-59.4-44.8176.7-65.1167000110.9R136 R137 R138 D143 I144R136-I140 WeakPolarHBondContact O-CG1 3.37Å; R136-I140 PolarHBondContact O-N 3.16Å; R137-I140 WeakPolarHBondContact O-CB 3.46Å; R137-I140 PolarHBondContact O-N 3.4Å; R138-I140 VanDerWaalsContact C-N 3.32Å; R138-I140 PolarHBondContact O-N 3.05Å; I140-D143 PolarHBondContact O-N 3.38Å; I140-I144 HydrophobicContact CG2-CD1 4.31Å; I140-I144 WeakPolarHBondContact O-CG1 3.44Å; I140-I144 PolarHBondContact O-N 3.32Å
141F95.5Very high91Very high7 Ų761 Ų613%0.03128%0.28CS..Hα-helixtrans-64.8-40.6176.6-69.1-69.7000112.6R137 R138 K139 I144 A145 V164 Y166 Q254R137-F141 HydrophobicContact CG-CD2 4.45Å; R137-F141 HydrophobicContact CG-CE2 3.87Å; R137-F141 WeakPolarHBondContact O-CD2 2.99Å; R137-F141 PolarHBondContact O-N 3.01Å; R138-F141 PolarHBondContact O-N 3.33Å; K139-F141 VanDerWaalsContact C-N 3.34Å; K139-F141 PolarHBondContact O-N 3.46Å; F141-I144 WeakPolarHBondContact O-CB 3.26Å; F141-I144 PolarHBondContact O-N 3.11Å; F141-A145 PolarHBondContact O-N 3.48Å; F141-A145 VanDerWaalsContact O-N 3.12Å; F141-V164 HydrophobicContact CD1-CG2 4.27Å; F141-V164 HydrophobicContact CE1-CB 4.15Å; F141-V164 HydrophobicContact CE1-CG1 3.64Å; F141-V164 HydrophobicContact CE1-CG2 3.85Å; F141-V164 HydrophobicContact CZ-CG1 3.96Å; F141-Y166 AromaticContact CE1-CE1 3.99Å; F141-Y166 HydrophobicContact CE1-CE1 3.99Å; F141-Y166 HydrophobicContact CZ-CD1 4.28Å; F141-Y166 AromaticContact CZ-CE1 3.78Å; F141-Y166 HydrophobicContact CZ-CE1 3.78Å; F141-Q254 HydrophobicContact CD1-CB 3.5Å; F141-Q254 VanDerWaalsContact CD1-CB 3.5Å; F141-Q254 HydrophobicContact CE1-CB 3.84Å; F141-Q254 WeakPolarHBondContact CE1-O 3.46Å; F141-Q254 HydrophobicContact CG-CB 4.45Å
142A91.9Very high89.4Confident3 Ų360.5 Ų60.53%0.02528%0.278CS..Hα-helixtrans-62.1-44.9175.400000111.4A120 R138 K139 I144 A145 H146 A233A120-A142 HydrophobicContact CB-CB 4.19Å; R138-A142 PolarHBondContact O-N 3.16Å; K139-A142 PolarHBondContact O-N 2.83Å; A142-I144 VanDerWaalsContact C-N 3.3Å; A142-I144 PolarHBondContact O-N 2.88Å; A142-A145 PolarHBondContact O-N 2.78Å; A142-H146 WeakPolarHBondContact O-CB 3.28Å; A142-H146 PolarHBondContact O-CD2 3.04Å; A142-H146 PolarHBondContact O-N 3.03Å; A142-A233 HydrophobicContact CB-CB 3.8Å
143D92.3Very high87.8Confident71 Ų7155.8 Ų55.838%0.3826%0.26SS..Hα-helixtrans-61.2-37.7177-68.5-22.4000111.5K139 I140 N147K139-D143 WeakPolarHBondContact O-CB 3.49Å; K139-D143 VanDerWaalsContact O-CG 3.25Å; K139-D143 PolarHBondContact O-N 2.83Å; I140-D143 PolarHBondContact O-N 3.38Å; D143-N147 WeakPolarHBondContact O-CB 3.45Å; D143-N147 PolarHBondContact O-N 3.49Å; D143-N147 VanDerWaalsContact O-N 3.13Å; D143-N147 PolarHBondContact O-ND2 3.03Å
144I93Very high86.1Confident31 Ų3154.1 Ų54.116%0.15925%0.248CC..Hα-helixtrans-59.6-50.7173.4-71.2165.9000110.8I140 F141 A142 N147 Y148 P162 V164 Q254I140-I144 HydrophobicContact CG2-CD1 4.31Å; I140-I144 WeakPolarHBondContact O-CG1 3.44Å; I140-I144 PolarHBondContact O-N 3.32Å; F141-I144 WeakPolarHBondContact O-CB 3.26Å; F141-I144 PolarHBondContact O-N 3.11Å; A142-I144 VanDerWaalsContact C-N 3.3Å; A142-I144 PolarHBondContact O-N 2.88Å; I144-N147 PolarHBondContact O-N 3.13Å; I144-Y148 PolarHBondContact O-N 3.12Å; I144-Y148 VanDerWaalsContact O-N 3.15Å; I144-P162 HydrophobicContact CG2-CB 3.89Å; I144-P162 HydrophobicContact CG2-CG 3.86Å; I144-V164 HydrophobicContact CD1-CG2 3.78Å; I144-Q254 VanDerWaalsContact CG2-OE1 3.22Å
145A92.3Very high84Confident3 Ų358.6 Ų58.63%0.02527%0.272CS..Hα-helixtrans-63.7-43.5-179.300000112F141 A142 N147 Y148 P231 V232 A233F141-A145 PolarHBondContact O-N 3.48Å; F141-A145 VanDerWaalsContact O-N 3.12Å; A142-A145 PolarHBondContact O-N 2.78Å; A145-N147 VanDerWaalsContact C-N 3.26Å; A145-N147 PolarHBondContact O-N 3.47Å; A145-Y148 PolarHBondContact O-N 3.25Å; A145-P231 HydrophobicContact CB-CB 4.24Å; A145-V232 VanDerWaalsContact CB-C 3.49Å; A145-A233 HydrophobicContact CB-CB 3.96Å; A145-A233 VanDerWaalsContact CB-N 3.33Å
146H87.8Confident82Confident59 Ų5961 Ų6127%0.27329%0.286SS..Hα-helixtrans-64.4-28.7179.8-72.8-48.8000113.9D113 A142 R149D113-H146 VanDerWaalsContact OD1-CA 3.32Å; D113-H146 WeakPolarHBondContact OD1-CA 3.39Å; D113-H146 IonicContact OD1-CE1 3.61Å; D113-H146 IonicContact OD1-CG 2.69Å; D113-H146 IonicContact OD1-ND1 2.78Å; D113-H146 PolarHBondContact OD1-ND1 2.77Å; A142-H146 WeakPolarHBondContact O-CB 3.28Å; A142-H146 PolarHBondContact O-CD2 3.04Å; A142-H146 PolarHBondContact O-N 3.03Å; H146-R149 PolarHBondContact O-NH1 3.15Å; H146-R149 PolarHBondContact O-NH2 3.35Å
147N89.2Confident80.1Confident114 Ų11461.3 Ų61.361%0.6130%0.299SS*.Hα-helixtrans-91.7-10.9178.1-71-61.8000113.3D143 I144 A145D143-N147 WeakPolarHBondContact O-CB 3.45Å; D143-N147 PolarHBondContact O-N 3.49Å; D143-N147 VanDerWaalsContact O-N 3.13Å; D143-N147 PolarHBondContact O-ND2 3.03Å; I144-N147 PolarHBondContact O-N 3.13Å; A145-N147 VanDerWaalsContact C-N 3.26Å; A145-N147 PolarHBondContact O-N 3.47Å
148Y90.2Very high78.1Confident8 Ų859.5 Ų59.53%0.03130%0.296CS..  trans-74.1138.1-179.8-178.6-99.7000111.9I144 A145 Q150 I161 R230 P231I144-Y148 PolarHBondContact O-N 3.12Å; I144-Y148 VanDerWaalsContact O-N 3.15Å; A145-Y148 PolarHBondContact O-N 3.25Å; Y148-Q150 PolarHBondContact OH-OE1 2.93Å; Y148-I161 HydrophobicContact CE2-CB 4.46Å; Y148-I161 HydrophobicContact CE2-CG1 3.78Å; Y148-R230 HydrophobicContact CD1-CG 3.98Å; Y148-R230 HydrophobicContact CE1-CB 4.48Å; Y148-R230 HydrophobicContact CE1-CG 3.87Å; Y148-R230 PolarHBondContact O-NH2 3.1Å; Y148-P231 HydrophobicContact CD1-CG 3.65Å; Y148-P231 HydrophobicContact CD2-CG 4.03Å; Y148-P231 HydrophobicContact CE1-CG 4.27Å; Y148-P231 HydrophobicContact CG-CG 3.5Å
149R86.2Confident76.9Confident82 Ų8264.9 Ų64.931%0.30932%0.322SS..  trans-130.7118.1179.5-62.2-66.7177-96.54.7110.7D109 D113 H146 Y151 V152 A153D109-R149 WeakPolarHBondContact OD1-CA 3.43Å; D113-R149 IonicContact OD2-NH2 3.89Å; H146-R149 PolarHBondContact O-NH1 3.15Å; H146-R149 PolarHBondContact O-NH2 3.35Å; R149-Y151 VanDerWaalsContact C-N 3.34Å; R149-Y151 PolarHBondContact O-N 3.34Å; R149-V152 HydrophobicContact CB-CB 4.2Å; R149-V152 HydrophobicContact CB-CG2 3.71Å; R149-V152 PolarHBondContact O-N 3.39Å; R149-A153 PolarHBondContact O-N 2.81Å
150Q76.3Confident76.6Confident8 Ų862.8 Ų62.84%0.03732%0.32CS..Hα-helixtrans-63.7-43.1-175.9-167.6662700110.5I105 D109 Y148 V152 A153 I154 R230I105-Q150 HydrophobicContact CG1-CG 4.15Å; D109-Q150 PolarHBondContact OD1-N 3.05Å; D109-Q150 PolarHBondContact OD2-N 3.12Å; D109-Q150 VanDerWaalsContact OD2-N 3.12Å; Y148-Q150 PolarHBondContact OH-OE1 2.93Å; Q150-V152 VanDerWaalsContact C-N 3.25Å; Q150-V152 PolarHBondContact O-N 3.36Å; Q150-A153 WeakPolarHBondContact O-CB 3.4Å; Q150-A153 PolarHBondContact O-N 3.41Å; Q150-I154 HydrophobicContact CG-CD1 3.88Å; Q150-I154 WeakPolarHBondContact O-CG1 3.28Å; Q150-I154 PolarHBondContact O-N 3.02Å; Q150-I154 VanDerWaalsContact O-N 3.15Å; Q150-R230 VanDerWaalsContact CB-NH1 3.28Å; Q150-R230 VanDerWaalsContact N-NH1 3.13Å
151Y68.7Low76.5Confident93 Ų9358.9 Ų58.937%0.36530%0.3SS..Hα-helixtrans-65.6-33.7-175.4125.2-85.3000112.3K106 D109 R149 I154 L155K106-Y151 HydrophobicContact CB-CG 4.36Å; K106-Y151 HydrophobicContact CD-CD2 4.39Å; D109-Y151 PolarHBondContact OD2-N 3.16Å; R149-Y151 VanDerWaalsContact C-N 3.34Å; R149-Y151 PolarHBondContact O-N 3.34Å; Y151-I154 PolarHBondContact O-N 3.21Å; Y151-L155 HydrophobicContact CD2-CD1 3.45Å; Y151-L155 VanDerWaalsContact CD2-CD1 3.45Å; Y151-L155 HydrophobicContact CD2-CG 4.2Å; Y151-L155 HydrophobicContact CE2-CD1 3.36Å; Y151-L155 HydrophobicContact CE2-CG 4.42Å; Y151-L155 PolarHBondContact O-N 3.49Å; Y151-L155 VanDerWaalsContact O-N 3.12Å
152V60.9Low76.5Confident39 Ų3961 Ų6124%0.23632%0.315CS..Hα-helixtrans-63.9-48.8177.3-179.90000108.1R149 Q150 I154 L155 F156 G158R149-V152 HydrophobicContact CB-CB 4.2Å; R149-V152 HydrophobicContact CB-CG2 3.71Å; R149-V152 PolarHBondContact O-N 3.39Å; Q150-V152 VanDerWaalsContact C-N 3.25Å; Q150-V152 PolarHBondContact O-N 3.36Å; V152-I154 VanDerWaalsContact C-N 3.26Å; V152-I154 PolarHBondContact O-N 3.48Å; V152-L155 PolarHBondContact O-N 2.94Å; V152-F156 PolarHBondContact O-N 3.35Å; V152-G158 WeakPolarHBondContact O-CA 3.49Å; V152-G158 PolarHBondContact O-N 3.28Å
153A60.1Low76.7Confident25 Ų2567.6 Ų67.621%0.20734%0.339CS..Hα-helixtrans-53.4-40.5176.900000113R149 Q150 G158R149-A153 PolarHBondContact O-N 2.81Å; Q150-A153 WeakPolarHBondContact O-CB 3.4Å; Q150-A153 PolarHBondContact O-N 3.41Å; A153-G158 PolarHBondContact O-N 3.41Å
154I60.6Low76.9Confident62 Ų6264.8 Ų64.832%0.31833%0.325SS..Hα-helixtrans-76.9-44.8-176.2-65.6165.6000113.3I105 Q150 Y151 V152I105-I154 HydrophobicContact CB-CD1 4.39Å; I105-I154 HydrophobicContact CD1-CD1 3.85Å; I105-I154 HydrophobicContact CG1-CD1 4.06Å; I105-I154 HydrophobicContact CG2-CD1 3.47Å; I105-I154 VanDerWaalsContact CG2-CD1 3.47Å; Q150-I154 HydrophobicContact CG-CD1 3.88Å; Q150-I154 WeakPolarHBondContact O-CG1 3.28Å; Q150-I154 PolarHBondContact O-N 3.02Å; Q150-I154 VanDerWaalsContact O-N 3.15Å; Y151-I154 PolarHBondContact O-N 3.21Å; V152-I154 VanDerWaalsContact C-N 3.26Å; V152-I154 PolarHBondContact O-N 3.48Å
155L51.9Low77.1Confident115 Ų11571.8 Ų71.860%0.60236%0.357SS*.Hα-helixtrans-86.6-23.4-168.9-72-178.6000115.2Y151 V152Y151-L155 HydrophobicContact CD2-CD1 3.45Å; Y151-L155 VanDerWaalsContact CD2-CD1 3.45Å; Y151-L155 HydrophobicContact CD2-CG 4.2Å; Y151-L155 HydrophobicContact CE2-CD1 3.36Å; Y151-L155 HydrophobicContact CE2-CG 4.42Å; Y151-L155 PolarHBondContact O-N 3.49Å; Y151-L155 VanDerWaalsContact O-N 3.12Å; V152-L155 PolarHBondContact O-N 2.94Å
156F51.4Low77.3Confident144 Ų14472.9 Ų72.963%0.63236%0.36SS*.THydrogen-bonded Turntrans-118.919.8-169.7-65.7-77.2000113.8V152 G158V152-F156 PolarHBondContact O-N 3.35Å; F156-G158 PolarHBondContact O-N 3.45Å
157N55.5Low77.8Confident165 Ų16572.9 Ų72.988%0.88236%0.364SS*.THydrogen-bonded Turntrans46.740.3-154.2-796.3000109.7
158G53.8Low78.2Confident14 Ų1474 Ų7414%0.14437%0.366CS..  trans-74.6-174-152.800000114.3V152 A153 F156 P160V152-G158 WeakPolarHBondContact O-CA 3.49Å; V152-G158 PolarHBondContact O-N 3.28Å; A153-G158 PolarHBondContact O-N 3.41Å; F156-G158 PolarHBondContact O-N 3.45Å; G158-P160 WeakPolarHBondContact O-CD 3.44Å
159Q68.9Low78.6Confident116 Ų11678.9 Ų78.954%0.54239%0.389SS..  trans-36.8106.6-167.8-87.9-175.4-36.800111.4
160P88.1Confident79.1Confident75 Ų7575.7 Ų75.749%0.48738%0.378SS..PPolyproline II helixtrans-57151.1173.425.1-33.5000107.6G158 P162 Q215G158-P160 WeakPolarHBondContact O-CD 3.44Å; P160-P162 VanDerWaalsContact O-CD 3.28Å; P160-P162 WeakPolarHBondContact O-CD 3.29Å; P160-Q215 HydrophobicContact CB-CG 3.9Å
161I92.7Very high80.2Confident2 Ų276.9 Ų76.91%0.0139%0.386CS..PPolyproline II helixtrans-51.4120.7173.1-59170.7000107Y148 R163 L214 Q215 V229 P231Y148-I161 HydrophobicContact CE2-CB 4.46Å; Y148-I161 HydrophobicContact CE2-CG1 3.78Å; I161-R163 PolarHBondContact O-N 3.34Å; I161-R163 VanDerWaalsContact O-N 3.14Å; I161-L214 HydrophobicContact CB-CB 4.4Å; I161-L214 HydrophobicContact CD1-CB 4Å; I161-L214 HydrophobicContact CG2-CB 3.77Å; I161-L214 HydrophobicContact CG2-CD1 4.37Å; I161-Q215 HydrophobicContact CB-CB 4.21Å; I161-V229 HydrophobicContact CD1-CG2 3.77Å; I161-V229 WeakPolarHBondContact CD1-O 3.34Å; I161-P231 HydrophobicContact CG2-CB 4.39Å; I161-P231 HydrophobicContact CG2-CG 4.04Å
162P94Very high81.6Confident52 Ų5278.1 Ų78.134%0.33839%0.393SS..PPolyproline II helixtrans-55.3125.4-173.8-30.938.6000110.8I144 P160 Q254I144-P162 HydrophobicContact CG2-CB 3.89Å; I144-P162 HydrophobicContact CG2-CG 3.86Å; P160-P162 VanDerWaalsContact O-CD 3.28Å; P160-P162 WeakPolarHBondContact O-CD 3.29Å; P162-Q254 PolarHBondContact O-NE2 3.46Å
163R96.1Very high83.3Confident141 Ų14176.7 Ų76.753%0.53238%0.384SS..PPolyproline II helixtrans-72.2140.2176.4-57.3-176.184.487.7-3.1108.8I161 D216I161-R163 PolarHBondContact O-N 3.34Å; I161-R163 VanDerWaalsContact O-N 3.14Å; R163-D216 IonicContact CZ-OD1 2.83Å; R163-D216 IonicContact CZ-OD2 3.87Å; R163-D216 IonicContact NH1-OD1 3.29Å; R163-D216 PolarHBondContact NH1-OD1 2.67Å; R163-D216 IonicContact NH1-OD2 2.97Å; R163-D216 PolarHBondContact NH1-OD2 3.04Å; R163-D216 IonicContact NH2-OD1 3.52Å; R163-D216 PolarHBondContact NH2-OD1 2.76Å; R163-D216 IonicContact NH2-OD2 3.86Å; R163-D216 PolarHBondContact NH2-OD2 2.76Å
164V96.6Very high85.1Confident13 Ų1375.5 Ų75.58%0.07937%0.374CS..  trans-111.7126.9-179.6-178.40000109.7F141 I144 Y166 Q213F141-V164 HydrophobicContact CD1-CG2 4.27Å; F141-V164 HydrophobicContact CE1-CB 4.15Å; F141-V164 HydrophobicContact CE1-CG1 3.64Å; F141-V164 HydrophobicContact CE1-CG2 3.85Å; F141-V164 HydrophobicContact CZ-CG1 3.96Å; I144-V164 HydrophobicContact CD1-CG2 3.78Å; V164-Y166 HydrophobicContact CB-CD2 4.49Å; V164-Y166 HydrophobicContact CB-CE2 4.12Å; V164-Y166 HydrophobicContact CG1-CD1 4.4Å; V164-Y166 HydrophobicContact CG1-CE1 4.35Å; V164-Y166 WeakPolarHBondContact O-CD2 3.42Å; V164-Y166 PolarHBondContact O-N 2.95Å; V164-Q213 PolarHBondContact O-NE2 3.26Å
165E97.4Very high86.9Confident178 Ų17873.2 Ų73.283%0.83237%0.365SS*.  trans-76.898.4165.7-172.6177.6177.700108.6R137R137-E165 PolarHBondContact NH2-O 3.15Å
166Y98.1Very high89Confident25 Ų2570.3 Ų70.310%0.09835%0.352CS..  trans-71.2142.2175.8-68.5-80.8000110.9F141 V164 E170 I211 Q254F141-Y166 AromaticContact CE1-CE1 3.99Å; F141-Y166 HydrophobicContact CE1-CE1 3.99Å; F141-Y166 HydrophobicContact CZ-CD1 4.28Å; F141-Y166 AromaticContact CZ-CE1 3.78Å; F141-Y166 HydrophobicContact CZ-CE1 3.78Å; V164-Y166 HydrophobicContact CB-CD2 4.49Å; V164-Y166 HydrophobicContact CB-CE2 4.12Å; V164-Y166 HydrophobicContact CG1-CD1 4.4Å; V164-Y166 HydrophobicContact CG1-CE1 4.35Å; V164-Y166 WeakPolarHBondContact O-CD2 3.42Å; V164-Y166 PolarHBondContact O-N 2.95Å; Y166-E170 WeakPolarHBondContact CA-OE2 3.38Å; Y166-E170 HydrophobicContact CD1-CB 4.31Å; Y166-E170 WeakPolarHBondContact CD1-OE2 3.49Å; Y166-I211 HydrophobicContact CD1-CD1 3.56Å; Y166-I211 HydrophobicContact CD2-CB 3.69Å; Y166-I211 HydrophobicContact CD2-CD1 4.08Å; Y166-I211 HydrophobicContact CD2-CG1 4.43Å; Y166-I211 HydrophobicContact CD2-CG2 4Å; Y166-I211 HydrophobicContact CE1-CD1 4.02Å; Y166-I211 HydrophobicContact CE1-CG2 4.26Å; Y166-I211 HydrophobicContact CE2-CB 3.77Å; Y166-I211 HydrophobicContact CE2-CD1 4.48Å; Y166-I211 HydrophobicContact CE2-CG2 3.53Å; Y166-I211 HydrophobicContact CG-CB 4.14Å; Y166-I211 HydrophobicContact CG-CD1 3.59Å; Y166-I211 HydrophobicContact CG-CG1 4.39Å; Y166-Q254 WeakPolarHBondContact CE1-O 3.23Å; Y166-Q254 PolarHBondContact OH-O 2.82Å
167T98Very high91.1Very high59 Ų5964 Ų6436%0.36233%0.325SS..  trans-72166.1178.875.80000111.2E169 E170 T171T167-E169 VanDerWaalsContact C-N 3.26Å; T167-E169 PolarHBondContact O-N 3.47Å; T167-E169 PolarHBondContact OG1-N 3.49Å; T167-E170 PolarHBondContact N-OE2 3.49Å; T167-E170 PolarHBondContact O-N 2.79Å; T167-E170 VanDerWaalsContact OG1-CG 3.28Å; T167-E170 WeakPolarHBondContact OG1-CG 3.43Å; T167-E170 PolarHBondContact OG1-N 3.2Å; T167-E170 VanDerWaalsContact OG1-N 3.15Å; T167-T171 WeakPolarHBondContact O-CB 3.26Å; T167-T171 PolarHBondContact O-N 2.91Å; T167-T171 PolarHBondContact O-OG1 2.81Å
168E97.6Very high93.1Very high139 Ų13956.4 Ų56.465%0.6528%0.284SS*.Hα-helixtrans-61-36.1174.3-165.1-169.8156.200111.9K172E168-K172 HydrophobicContact CG-CD 4.49Å; E168-K172 WeakPolarHBondContact O-CB 3.47Å; E168-K172 VanDerWaalsContact O-CG 3.26Å; E168-K172 WeakPolarHBondContact O-CG 3.49Å; E168-K172 PolarHBondContact O-N 2.86Å; E168-K172 WeakPolarHBondContact OE1-CE 3.45Å; E168-K172 IonicContact OE1-NZ 3.38Å; E168-K172 PolarHBondContact OE1-NZ 3.34Å
169E97.4Very high95.2Very high109 Ų10962.4 Ų62.451%0.50930%0.303SS..Hα-helixtrans-68.6-42.4177-176.9177.949.700112.2T167 T171 K172 T173 S259T167-E169 VanDerWaalsContact C-N 3.26Å; T167-E169 PolarHBondContact O-N 3.47Å; T167-E169 PolarHBondContact OG1-N 3.49Å; E169-T171 VanDerWaalsContact C-N 3.35Å; E169-K172 PolarHBondContact O-N 3.45Å; E169-T173 PolarHBondContact O-N 2.87Å; E169-T173 PolarHBondContact O-OG1 2.92Å; E169-S259 WeakPolarHBondContact OE2-CB 3.3Å; E169-S259 PolarHBondContact OE2-OG 3.16Å
170E98.2Very high96.4Very high15 Ų1560.3 Ų60.37%0.0729%0.293CS..Hα-helixtrans-61-46.9174.6-68.8172.5159.200109.8R137 Y166 T167 K172 T173 W174 I211 I256R137-E170 VanDerWaalsContact CG-OE1 3.28Å; R137-E170 WeakPolarHBondContact CG-OE1 3.38Å; R137-E170 IonicContact CZ-OE1 3.91Å; R137-E170 IonicContact CZ-OE2 3.55Å; R137-E170 IonicContact NE-OE1 3.55Å; R137-E170 PolarHBondContact NE-OE1 3.36Å; R137-E170 IonicContact NE-OE2 3.63Å; R137-E170 IonicContact NH2-OE1 3.02Å; R137-E170 IonicContact NH2-OE2 2.79Å; R137-E170 PolarHBondContact NH2-OE2 2.95Å; Y166-E170 WeakPolarHBondContact CA-OE2 3.38Å; Y166-E170 HydrophobicContact CD1-CB 4.31Å; Y166-E170 WeakPolarHBondContact CD1-OE2 3.49Å; T167-E170 PolarHBondContact N-OE2 3.49Å; T167-E170 PolarHBondContact O-N 2.79Å; T167-E170 VanDerWaalsContact OG1-CG 3.28Å; T167-E170 WeakPolarHBondContact OG1-CG 3.43Å; T167-E170 PolarHBondContact OG1-N 3.2Å; T167-E170 VanDerWaalsContact OG1-N 3.15Å; E170-K172 VanDerWaalsContact C-N 3.35Å; E170-K172 PolarHBondContact O-N 3.04Å; E170-T173 WeakPolarHBondContact O-CB 3.28Å; E170-T173 PolarHBondContact O-N 3.11Å; E170-T173 VanDerWaalsContact O-N 3.15Å; E170-W174 PolarHBondContact O-N 3.16Å; E170-I211 HydrophobicContact CB-CD1 4.32Å; E170-I256 HydrophobicContact CB-CG2 3.76Å; E170-I256 HydrophobicContact CG-CG2 3.56Å; E170-I256 WeakPolarHBondContact O-CD1 3.36Å
171T98.2Very high96.8Very high34 Ų3456.8 Ų56.821%0.20927%0.27CS..Hα-helixtrans-62.9-38.7178.2-53.80000112.2T167 E169 W174 A175 N209T167-T171 WeakPolarHBondContact O-CB 3.26Å; T167-T171 PolarHBondContact O-N 2.91Å; T167-T171 PolarHBondContact O-OG1 2.81Å; E169-T171 VanDerWaalsContact C-N 3.35Å; T171-W174 WeakPolarHBondContact O-CB 3.16Å; T171-W174 PolarHBondContact O-N 3.34Å; T171-A175 WeakPolarHBondContact O-CB 3.27Å; T171-A175 PolarHBondContact O-N 3.27Å; T171-N209 WeakPolarHBondContact CG2-O 3.43Å
172K97.8Very high97Very high119 Ų11960.6 Ų60.652%0.51729%0.286SS..Hα-helixtrans-64.7-38.2174-77.7170.6-1771670112.9E168 E169 E170 A175 T176E168-K172 HydrophobicContact CG-CD 4.49Å; E168-K172 WeakPolarHBondContact O-CB 3.47Å; E168-K172 VanDerWaalsContact O-CG 3.26Å; E168-K172 WeakPolarHBondContact O-CG 3.49Å; E168-K172 PolarHBondContact O-N 2.86Å; E168-K172 WeakPolarHBondContact OE1-CE 3.45Å; E168-K172 IonicContact OE1-NZ 3.38Å; E168-K172 PolarHBondContact OE1-NZ 3.34Å; E169-K172 PolarHBondContact O-N 3.45Å; E170-K172 VanDerWaalsContact C-N 3.35Å; E170-K172 PolarHBondContact O-N 3.04Å; K172-A175 PolarHBondContact O-N 3.14Å; K172-T176 PolarHBondContact O-N 3.44Å; K172-T176 VanDerWaalsContact O-N 3.14Å; K172-T176 PolarHBondContact O-OG1 3.22Å
173T97.4Very high97.2Very high8 Ų865.7 Ų65.75%0.04930%0.299CS..Hα-helixtrans-63.2-48.7176-59.30000110.1E169 E170 A175 T176 V177 I256 R257 P262E169-T173 PolarHBondContact O-N 2.87Å; E169-T173 PolarHBondContact O-OG1 2.92Å; E170-T173 WeakPolarHBondContact O-CB 3.28Å; E170-T173 PolarHBondContact O-N 3.11Å; E170-T173 VanDerWaalsContact O-N 3.15Å; T173-A175 PolarHBondContact O-N 3.38Å; T173-T176 WeakPolarHBondContact O-CB 3.5Å; T173-T176 PolarHBondContact O-N 3.13Å; T173-V177 PolarHBondContact O-N 3.01Å; T173-I256 HydrophobicContact CG2-CD1 4.09Å; T173-I256 HydrophobicContact CG2-CG1 4.18Å; T173-R257 HydrophobicContact CG2-CG 3.79Å; T173-P262 HydrophobicContact CG2-CB 4.09Å
174W97.9Very high97.2Very high0 Ų059.2 Ų59.20%028%0.275CS..Hα-helixtrans-55.7-50.3172.9166.2-93.8000112.3E170 T171 T176 V177 Y178 S207 A210 I211 P212 I256 L274 L275E170-W174 PolarHBondContact O-N 3.16Å; T171-W174 WeakPolarHBondContact O-CB 3.16Å; T171-W174 PolarHBondContact O-N 3.34Å; W174-T176 PolarHBondContact O-N 3.37Å; W174-V177 PolarHBondContact O-N 3.37Å; W174-V177 VanDerWaalsContact O-N 3.08Å; W174-Y178 AromaticContact CE2-CD2 3.75Å; W174-Y178 HydrophobicContact CH2-CD2 4.25Å; W174-Y178 AromaticContact CZ2-CD2 3.45Å; W174-Y178 HydrophobicContact CZ2-CD2 3.45Å; W174-Y178 VanDerWaalsContact CZ2-CD2 3.45Å; W174-Y178 AromaticContact CZ2-CE2 3.87Å; W174-Y178 HydrophobicContact CZ2-CE2 3.87Å; W174-Y178 HydrophobicContact CZ2-CG 4.48Å; W174-Y178 AromaticContact NE1-CD2 3.93Å; W174-Y178 VanDerWaalsContact O-CB 3.31Å; W174-Y178 WeakPolarHBondContact O-CB 3.36Å; W174-Y178 PolarHBondContact O-N 3.29Å; W174-S207 PolarHBondContact NE1-O 2.92Å; W174-A210 PolarHBondContact NE1-O 3.2Å; W174-A210 VanDerWaalsContact NE1-O 3.08Å; W174-I211 HydrophobicContact CB-CD1 3.91Å; W174-I211 HydrophobicContact CB-CG1 3.51Å; W174-I211 HydrophobicContact CD2-CG1 3.82Å; W174-I211 HydrophobicContact CE3-CG1 4.16Å; W174-I211 HydrophobicContact CE3-CG2 4.44Å; W174-I211 HydrophobicContact CG-CD1 4.44Å; W174-I211 HydrophobicContact CG-CG1 3.52Å; W174-P212 HydrophobicContact CH2-CG 4.05Å; W174-P212 HydrophobicContact CZ2-CG 4Å; W174-I256 HydrophobicContact CB-CD1 3.76Å; W174-L274 HydrophobicContact CH2-CB 4.05Å; W174-L274 HydrophobicContact CH2-CD1 4.09Å; W174-L274 HydrophobicContact CZ3-CB 4.12Å; W174-L274 HydrophobicContact CZ3-CD1 4.06Å; W174-L275 HydrophobicContact CE3-CD1 4.48Å; W174-L275 HydrophobicContact CH2-CD1 4.1Å; W174-L275 HydrophobicContact CH2-CD2 3.59Å; W174-L275 HydrophobicContact CH2-CG 3.75Å; W174-L275 HydrophobicContact CZ2-CD2 4.11Å; W174-L275 HydrophobicContact CZ3-CD1 3.99Å; W174-L275 HydrophobicContact CZ3-CD2 4.25Å; W174-L275 HydrophobicContact CZ3-CG 3.89Å
175A97.7Very high97.3Very high14 Ų1458.8 Ų58.812%0.11627%0.272CS..Hα-helixtrans-54.9-40-178.900000112.4T171 K172 T173 R179 E208T171-A175 WeakPolarHBondContact O-CB 3.27Å; T171-A175 PolarHBondContact O-N 3.27Å; K172-A175 PolarHBondContact O-N 3.14Å; T173-A175 PolarHBondContact O-N 3.38Å; A175-R179 WeakPolarHBondContact O-CB 3.45Å; A175-R179 PolarHBondContact O-N 3.39Å; A175-E208 HydrophobicContact CB-CB 4.39Å; A175-E208 WeakPolarHBondContact CB-O 3.48Å
176T96.4Very high97.3Very high55 Ų5554.6 Ų54.634%0.33726%0.26SS..Hα-helixtrans-63.6-48.6178-57.80000111.2K172 T173 W174 E180 P262K172-T176 PolarHBondContact O-N 3.44Å; K172-T176 VanDerWaalsContact O-N 3.14Å; K172-T176 PolarHBondContact O-OG1 3.22Å; T173-T176 WeakPolarHBondContact O-CB 3.5Å; T173-T176 PolarHBondContact O-N 3.13Å; W174-T176 PolarHBondContact O-N 3.37Å; T176-E180 PolarHBondContact O-N 2.76Å; T176-P262 HydrophobicContact CG2-CB 4.38Å; T176-P262 HydrophobicContact CG2-CG 4.48Å
177V96.3Very high97.3Very high10 Ų1057.4 Ų57.46%0.06128%0.28CS..Hα-helixtrans-66-46.9179.5178.50000110.8T173 W174 R179 E180 L181 P262 C271 L275T173-V177 PolarHBondContact O-N 3.01Å; W174-V177 PolarHBondContact O-N 3.37Å; W174-V177 VanDerWaalsContact O-N 3.08Å; V177-R179 PolarHBondContact O-N 3.18Å; V177-E180 PolarHBondContact O-N 3.16Å; V177-L181 HydrophobicContact CG1-CD1 3.57Å; V177-L181 HydrophobicContact CG1-CG 4.34Å; V177-L181 WeakPolarHBondContact O-CG 3.17Å; V177-L181 PolarHBondContact O-N 2.76Å; V177-L181 VanDerWaalsContact O-N 3.08Å; V177-P262 WeakPolarHBondContact CG2-O 3.07Å; V177-C271 HydrophobicContact CG1-CB 4.11Å; V177-L275 HydrophobicContact CG1-CD1 3.99Å
178Y97.6Very high97.3Very high7 Ų756.2 Ų56.23%0.02727%0.27CS..Hα-helixtrans-55.8-48.8-179.9-167.7-90.1000112W174 K182 F197 E201 Y206 E208 L275W174-Y178 AromaticContact CE2-CD2 3.75Å; W174-Y178 HydrophobicContact CH2-CD2 4.25Å; W174-Y178 AromaticContact CZ2-CD2 3.45Å; W174-Y178 HydrophobicContact CZ2-CD2 3.45Å; W174-Y178 VanDerWaalsContact CZ2-CD2 3.45Å; W174-Y178 AromaticContact CZ2-CE2 3.87Å; W174-Y178 HydrophobicContact CZ2-CE2 3.87Å; W174-Y178 HydrophobicContact CZ2-CG 4.48Å; W174-Y178 AromaticContact NE1-CD2 3.93Å; W174-Y178 VanDerWaalsContact O-CB 3.31Å; W174-Y178 WeakPolarHBondContact O-CB 3.36Å; W174-Y178 PolarHBondContact O-N 3.29Å; Y178-K182 HydrophobicContact CD1-CD 4.34Å; Y178-K182 HydrophobicContact CE1-CB 4.47Å; Y178-K182 HydrophobicContact CE1-CD 3.6Å; Y178-K182 WeakPolarHBondContact O-CB 3.39Å; Y178-K182 PolarHBondContact O-N 3.16Å; Y178-F197 HydrophobicContact CE2-CE1 4.41Å; Y178-F197 AromaticContact CE2-CZ 3.74Å; Y178-F197 HydrophobicContact CE2-CZ 3.74Å; Y178-F197 AromaticContact CZ-CE1 3.99Å; Y178-F197 AromaticContact CZ-CZ 3.77Å; Y178-F197 WeakPolarHBondContact OH-CE1 3.37Å; Y178-F197 WeakPolarHBondContact OH-CZ 3.38Å; Y178-E201 PolarHBondContact OH-OE1 3.37Å; Y178-Y206 HydrophobicContact CE2-CD1 4.35Å; Y178-Y206 PolarHBondContact OH-O 3.12Å; Y178-E208 HydrophobicContact CD1-CB 4.08Å; Y178-L275 HydrophobicContact CD2-CD1 4.38Å; Y178-L275 HydrophobicContact CD2-CD2 3.73Å; Y178-L275 HydrophobicContact CE2-CD2 3.91Å
179R96.9Very high97.3Very high140 Ų14049.6 Ų49.653%0.52824%0.239SC..Hα-helixtrans-64.3-45.8-177.3-173.8-177.4-59.1140.85.2112.5A175 V177 R183 E208A175-R179 WeakPolarHBondContact O-CB 3.45Å; A175-R179 PolarHBondContact O-N 3.39Å; V177-R179 PolarHBondContact O-N 3.18Å; R179-R183 PolarHBondContact O-N 2.98Å; R179-E208 IonicContact CZ-OE2 3.74Å; R179-E208 IonicContact NE-OE2 3.56Å; R179-E208 PolarHBondContact NE-OE2 3.44Å; R179-E208 IonicContact NH2-OE2 3.45Å; R179-E208 PolarHBondContact NH2-OE2 3.47Å
180E94.8Very high97.3Very high72 Ų7244.4 Ų44.434%0.33622%0.215SC..Hα-helixtrans-65.5-45.5-178.9-71.1-60156.200111.6T176 V177 R183T176-E180 PolarHBondContact O-N 2.76Å; V177-E180 PolarHBondContact O-N 3.16Å; E180-R183 IonicContact OE2-NE 2.67Å; E180-R183 IonicContact OE2-NH2 3.57Å
181L96.3Very high97.3Very high1 Ų151.6 Ų51.61%0.00524%0.241CC..Hα-helixtrans-70.5-43.5-179.9-66.5172.6000112.3V177 R183 L184 Y185 L275 L335 F338 L341V177-L181 HydrophobicContact CG1-CD1 3.57Å; V177-L181 HydrophobicContact CG1-CG 4.34Å; V177-L181 WeakPolarHBondContact O-CG 3.17Å; V177-L181 PolarHBondContact O-N 2.76Å; V177-L181 VanDerWaalsContact O-N 3.08Å; L181-R183 PolarHBondContact O-N 3Å; L181-R183 VanDerWaalsContact O-N 3.16Å; L181-L184 WeakPolarHBondContact O-CA 3.3Å; L181-L184 PolarHBondContact O-N 2.86Å; L181-Y185 HydrophobicContact CB-CE1 3.84Å; L181-Y185 HydrophobicContact CB-CE2 4.12Å; L181-Y185 VanDerWaalsContact CB-OH 3.31Å; L181-Y185 WeakPolarHBondContact CB-OH 3.47Å; L181-Y185 WeakPolarHBondContact O-CD1 3.5Å; L181-Y185 PolarHBondContact O-N 2.87Å; L181-Y185 VanDerWaalsContact O-N 3.08Å; L181-L275 HydrophobicContact CD1-CB 4.38Å; L181-L275 HydrophobicContact CD1-CD1 3.98Å; L181-L335 WeakPolarHBondContact CD1-O 3.47Å; L181-L335 WeakPolarHBondContact CD2-O 3.22Å; L181-F338 HydrophobicContact CD2-CB 4Å; L181-L341 HydrophobicContact CD2-CD2 4.47Å
182K96.9Very high97.3Very high81 Ų8151.2 Ų51.235%0.35224%0.237SC..Hα-helixtrans-58-32.2178.5-173.3172.4-177.4-1800112.6Y178 L184 Y185 P186 F197 E201Y178-K182 HydrophobicContact CD1-CD 4.34Å; Y178-K182 HydrophobicContact CE1-CB 4.47Å; Y178-K182 HydrophobicContact CE1-CD 3.6Å; Y178-K182 WeakPolarHBondContact O-CB 3.39Å; Y178-K182 PolarHBondContact O-N 3.16Å; K182-L184 VanDerWaalsContact C-N 3.29Å; K182-L184 PolarHBondContact O-N 3.04Å; K182-Y185 HydrophobicContact CB-CD2 4.39Å; K182-Y185 HydrophobicContact CB-CE2 4.49Å; K182-P186 WeakPolarHBondContact O-CD 3.41Å; K182-F197 HydrophobicContact CD-CE1 4.23Å; K182-F197 HydrophobicContact CG-CE1 4.42Å; K182-E201 IonicContact NZ-OE1 3.1Å; K182-E201 PolarHBondContact NZ-OE1 2.86Å; K182-E201 IonicContact NZ-OE2 3.49Å; K182-E201 PolarHBondContact NZ-OE2 3.04Å
183R97.2Very high97.4Very high159 Ų15945.6 Ų45.660%0.621%0.213SC*.Hα-helixtrans-65.1-30.9173.8-173.2178.965.187.60.9112.9R179 E180 L181R179-R183 PolarHBondContact O-N 2.98Å; E180-R183 IonicContact OE2-NE 2.67Å; E180-R183 IonicContact OE2-NH2 3.57Å; L181-R183 PolarHBondContact O-N 3Å; L181-R183 VanDerWaalsContact O-N 3.16Å
184L97.3Very high97.4Very high6 Ų647.5 Ų47.53%0.03122%0.223CC..Hα-helixtrans-90.2-30.6-175.9-63.2175.3000113.2L181 K182 P186 T187 H188 F338 L341 Q342L181-L184 WeakPolarHBondContact O-CA 3.3Å; L181-L184 PolarHBondContact O-N 2.86Å; K182-L184 VanDerWaalsContact C-N 3.29Å; K182-L184 PolarHBondContact O-N 3.04Å; L184-P186 VanDerWaalsContact C-CD 3.48Å; L184-T187 PolarHBondContact O-N 2.67Å; L184-T187 VanDerWaalsContact O-N 3.13Å; L184-T187 PolarHBondContact O-OG1 3.17Å; L184-T187 VanDerWaalsContact O-OG1 3.09Å; L184-H188 WeakPolarHBondContact O-CB 3.45Å; L184-H188 PolarHBondContact O-N 3.33Å; L184-H188 PolarHBondContact O-ND1 3.16Å; L184-F338 HydrophobicContact CD1-CB 3.97Å; L184-L341 HydrophobicContact CB-CD2 3.72Å; L184-L341 HydrophobicContact CD1-CD2 4.08Å; L184-Q342 HydrophobicContact CD1-CG 4.05Å; L184-Q342 HydrophobicContact CD2-CG 4.25Å
185Y98.2Very high97.4Very high4 Ų453.7 Ų53.72%0.01625%0.251CS..Hα-helixtrans-52.1-44.9-172.8-61.5-35.2000115.9L181 K182 T187 H188 A189 F193 N194 F197 L275 L335 L341L181-Y185 HydrophobicContact CB-CE1 3.84Å; L181-Y185 HydrophobicContact CB-CE2 4.12Å; L181-Y185 VanDerWaalsContact CB-OH 3.31Å; L181-Y185 WeakPolarHBondContact CB-OH 3.47Å; L181-Y185 WeakPolarHBondContact O-CD1 3.5Å; L181-Y185 PolarHBondContact O-N 2.87Å; L181-Y185 VanDerWaalsContact O-N 3.08Å; K182-Y185 HydrophobicContact CB-CD2 4.39Å; K182-Y185 HydrophobicContact CB-CE2 4.49Å; Y185-T187 PolarHBondContact O-N 2.79Å; Y185-T187 VanDerWaalsContact O-N 3.09Å; Y185-H188 PolarHBondContact O-N 3.5Å; Y185-A189 HydrophobicContact CD1-CB 4.21Å; Y185-A189 WeakPolarHBondContact O-CB 3.4Å; Y185-A189 PolarHBondContact O-N 3.08Å; Y185-F193 AromaticContact CD1-CE1 3.74Å; Y185-F193 HydrophobicContact CD1-CE1 3.74Å; Y185-F193 HydrophobicContact CD1-CZ 4.1Å; Y185-F193 AromaticContact CD2-CE1 3.57Å; Y185-F193 HydrophobicContact CD2-CE1 3.57Å; Y185-F193 HydrophobicContact CD2-CZ 4.13Å; Y185-F193 AromaticContact CE1-CE1 3.92Å; Y185-F193 HydrophobicContact CE1-CE1 3.92Å; Y185-F193 AromaticContact CE1-CZ 3.79Å; Y185-F193 HydrophobicContact CE1-CZ 3.79Å; Y185-F193 AromaticContact CE2-CE1 3.76Å; Y185-F193 HydrophobicContact CE2-CE1 3.76Å; Y185-F193 AromaticContact CE2-CZ 3.83Å; Y185-F193 HydrophobicContact CE2-CZ 3.83Å; Y185-F193 HydrophobicContact CG-CD1 4.34Å; Y185-F193 AromaticContact CG-CE1 3.56Å; Y185-F193 HydrophobicContact CG-CE1 3.56Å; Y185-F193 HydrophobicContact CG-CZ 4.26Å; Y185-F193 AromaticContact CZ-CE1 3.92Å; Y185-F193 AromaticContact CZ-CZ 3.63Å; Y185-N194 PolarHBondContact O-ND2 2.92Å; Y185-N194 PolarHBondContact O-OD1 3.23Å; Y185-F197 HydrophobicContact CD2-CD2 4.42Å; Y185-F197 HydrophobicContact CD2-CE2 4.22Å; Y185-F197 HydrophobicContact CD2-CZ 4.3Å; Y185-F197 HydrophobicContact CE2-CD2 4.15Å; Y185-F197 HydrophobicContact CE2-CE1 4.5Å; Y185-F197 AromaticContact CE2-CE2 3.61Å; Y185-F197 HydrophobicContact CE2-CE2 3.61Å; Y185-F197 AromaticContact CE2-CZ 3.81Å; Y185-F197 HydrophobicContact CE2-CZ 3.81Å; Y185-L275 PolarHBondContact OH-O 3.37Å; Y185-L335 HydrophobicContact CD1-CD2 4.35Å; Y185-L335 HydrophobicContact CE1-CD2 4.33Å; Y185-L335 WeakPolarHBondContact CE1-O 3.34Å; Y185-L335 PolarHBondContact OH-O 3.2Å; Y185-L341 HydrophobicContact CD1-CD2 4.31Å; Y185-L341 HydrophobicContact CE1-CD2 4.43Å
186P97.5Very high97.5Very high90 Ų9053.5 Ų53.558%0.58425%0.249SC*.Hα-helixtrans-59.4-29.5-177.3-2636.1000113.5K182 L184K182-P186 WeakPolarHBondContact O-CD 3.41Å; L184-P186 VanDerWaalsContact C-CD 3.48Å
187T97Very high97.6Very high84 Ų8451.3 Ų51.352%0.51523%0.234SC..Hα-helixtrans-101.2-25.9-177.849.60000113.2L184 Y185 K328L184-T187 PolarHBondContact O-N 2.67Å; L184-T187 VanDerWaalsContact O-N 3.13Å; L184-T187 PolarHBondContact O-OG1 3.17Å; L184-T187 VanDerWaalsContact O-OG1 3.09Å; Y185-T187 PolarHBondContact O-N 2.79Å; Y185-T187 VanDerWaalsContact O-N 3.09Å; T187-K328 PolarHBondContact O-NZ 2.86Å
188H98.1Very high97.7Very high33 Ų3353.4 Ų53.415%0.15325%0.248CC..Hα-helixtrans-108.4-37.8-172.1-60.467.4000114L184 Y185 K328 A329 L341 L345L184-H188 WeakPolarHBondContact O-CB 3.45Å; L184-H188 PolarHBondContact O-N 3.33Å; L184-H188 PolarHBondContact O-ND1 3.16Å; Y185-H188 PolarHBondContact O-N 3.5Å; H188-K328 WeakPolarHBondContact O-CA 3.32Å; H188-A329 PolarHBondContact O-N 2.93Å; H188-L341 HydrophobicContact CB-CD1 3.64Å; H188-L341 HydrophobicContact CB-CD2 4.03Å; H188-L341 HydrophobicContact CB-CG 3.65Å; H188-L341 PolarHBondContact CD2-O 3.19Å; H188-L345 HydrophobicContact CB-CD1 3.76Å
189A98.4Very high97.7Very high1 Ų155.8 Ų55.81%0.00826%0.261CS..BIsolated β-bridgetrans-78.4153.7-176.600000112Y185 F193 N194 A329 L335Y185-A189 HydrophobicContact CD1-CB 4.21Å; Y185-A189 WeakPolarHBondContact O-CB 3.4Å; Y185-A189 PolarHBondContact O-N 3.08Å; A189-F193 HydrophobicContact CB-CB 4.15Å; A189-F193 HydrophobicContact CB-CD1 3.7Å; A189-F193 HydrophobicContact CB-CE1 4.36Å; A189-F193 HydrophobicContact CB-CG 4.01Å; A189-N194 PolarHBondContact O-ND2 3.42Å; A189-N194 VanDerWaalsContact O-ND2 3.15Å; A189-A329 CarbonylContact C-O 3.59Å; A189-A329 WeakPolarHBondContact CA-O 3.46Å; A189-L335 HydrophobicContact CB-CD2 3.49Å; A189-L335 VanDerWaalsContact CB-CD2 3.49Å
190C98.3Very high97.8Very high0 Ų049.1 Ų49.10%024%0.236CC..  trans-62.8160.3173.765.80000112.3E192 F193 N194 C321 K328 A329C190-E192 VanDerWaalsContact C-N 3.3Å; C190-E192 PolarHBondContact O-N 3.38Å; C190-F193 PolarHBondContact O-N 2.97Å; C190-N194 PolarHBondContact O-N 2.67Å; C190-N194 VanDerWaalsContact O-N 3.15Å; C190-N194 PolarHBondContact O-ND2 3.22Å; C190-C321 VanDerWaalsContact CB-SG 3.55Å; C190-K328 HydrophobicContact CB-CB 4.17Å; C190-A329 PolarHBondContact N-O 3.01Å
191R98Very high98Very high165 Ų16548.6 Ų48.662%0.62323%0.233SC*.Hα-helixtrans-58.8-40-179179.6-17559.9-167.5-6.2112.6N194 H195R191-N194 CarbonylContact O-C 3.58Å; R191-N194 PolarHBondContact O-N 3.41Å; R191-H195 WeakPolarHBondContact O-CB 3.45Å; R191-H195 PolarHBondContact O-N 3.47Å
192E98.2Very high98Very high27 Ų2755.3 Ų55.313%0.12627%0.265CS..Hα-helixtrans-63.1-44.7-177.8-66.269.7-153.300110.3C190 H195 I196 L280 D283 Q323 F379C190-E192 VanDerWaalsContact C-N 3.3Å; C190-E192 PolarHBondContact O-N 3.38Å; E192-H195 WeakPolarHBondContact O-CB 3.24Å; E192-H195 PolarHBondContact O-N 3.21Å; E192-I196 WeakPolarHBondContact O-CG1 3.19Å; E192-I196 PolarHBondContact O-N 3.13Å; E192-I196 VanDerWaalsContact O-N 3.1Å; E192-L280 HydrophobicContact CB-CD2 4.09Å; E192-D283 HydrophobicContact CB-CB 4.48Å; E192-Q323 PolarHBondContact OE2-NE2 3.16Å; E192-F379 HydrophobicContact CB-CE2 4.02Å; E192-F379 HydrophobicContact CG-CD2 4.34Å; E192-F379 HydrophobicContact CG-CE2 3.84Å
193F98.5Very high98.1Very high0 Ų056.2 Ų56.20%027%0.273CS..Hα-helixtrans-57.7-51.4171.7-175.6-80000111.8Y185 A189 C190 H195 I196 F197 L275 P279 L280 L335Y185-F193 AromaticContact CD1-CE1 3.74Å; Y185-F193 HydrophobicContact CD1-CE1 3.74Å; Y185-F193 HydrophobicContact CD1-CZ 4.1Å; Y185-F193 AromaticContact CD2-CE1 3.57Å; Y185-F193 HydrophobicContact CD2-CE1 3.57Å; Y185-F193 HydrophobicContact CD2-CZ 4.13Å; Y185-F193 AromaticContact CE1-CE1 3.92Å; Y185-F193 HydrophobicContact CE1-CE1 3.92Å; Y185-F193 AromaticContact CE1-CZ 3.79Å; Y185-F193 HydrophobicContact CE1-CZ 3.79Å; Y185-F193 AromaticContact CE2-CE1 3.76Å; Y185-F193 HydrophobicContact CE2-CE1 3.76Å; Y185-F193 AromaticContact CE2-CZ 3.83Å; Y185-F193 HydrophobicContact CE2-CZ 3.83Å; Y185-F193 HydrophobicContact CG-CD1 4.34Å; Y185-F193 AromaticContact CG-CE1 3.56Å; Y185-F193 HydrophobicContact CG-CE1 3.56Å; Y185-F193 HydrophobicContact CG-CZ 4.26Å; Y185-F193 AromaticContact CZ-CE1 3.92Å; Y185-F193 AromaticContact CZ-CZ 3.63Å; A189-F193 HydrophobicContact CB-CB 4.15Å; A189-F193 HydrophobicContact CB-CD1 3.7Å; A189-F193 HydrophobicContact CB-CE1 4.36Å; A189-F193 HydrophobicContact CB-CG 4.01Å; C190-F193 PolarHBondContact O-N 2.97Å; F193-H195 PolarHBondContact O-N 3.38Å; F193-I196 PolarHBondContact O-N 3.4Å; F193-F197 HydrophobicContact CD1-CB 4.42Å; F193-F197 HydrophobicContact CE1-CB 4.17Å; F193-F197 AromaticContact CE1-CD2 3.6Å; F193-F197 HydrophobicContact CE1-CD2 3.6Å; F193-F197 HydrophobicContact CE1-CE2 4.31Å; F193-F197 HydrophobicContact CE1-CG 4.11Å; F193-F197 AromaticContact CZ-CD2 3.67Å; F193-F197 HydrophobicContact CZ-CD2 3.67Å; F193-F197 HydrophobicContact CZ-CE2 4.13Å; F193-F197 WeakPolarHBondContact O-CB 3.46Å; F193-F197 PolarHBondContact O-N 2.85Å; F193-L275 VanDerWaalsContact CE2-O 3.27Å; F193-L275 WeakPolarHBondContact CE2-O 3.49Å; F193-L275 WeakPolarHBondContact CZ-O 3.43Å; F193-P279 HydrophobicContact CD2-CB 3.56Å; F193-P279 HydrophobicContact CD2-CG 3.97Å; F193-P279 HydrophobicContact CE2-CB 3.61Å; F193-P279 HydrophobicContact CE2-CG 3.45Å; F193-P279 VanDerWaalsContact CE2-CG 3.45Å; F193-P279 HydrophobicContact CG-CB 4.24Å; F193-P279 HydrophobicContact CZ-CB 4.29Å; F193-P279 HydrophobicContact CZ-CG 3.93Å; F193-L280 HydrophobicContact CB-CD2 4.21Å; F193-L335 HydrophobicContact CD2-CD1 3.44Å; F193-L335 VanDerWaalsContact CD2-CD1 3.44Å; F193-L335 HydrophobicContact CD2-CD2 4.07Å; F193-L335 HydrophobicContact CD2-CG 4.28Å; F193-L335 HydrophobicContact CE2-CB 4.2Å; F193-L335 HydrophobicContact CE2-CD1 3.64Å; F193-L335 HydrophobicContact CE2-CD2 4.1Å; F193-L335 HydrophobicContact CE2-CG 4.2Å; F193-L335 HydrophobicContact CG-CD1 4.31Å; F193-L335 HydrophobicContact CG-CD2 4.32Å; F193-L335 HydrophobicContact CZ-CD2 4.4Å
194N98.5Very high98.1Very high49 Ų4948.8 Ų48.826%0.26225%0.246SC..Hα-helixtrans-66.4-21.2-179.4-77.8-54.9000113.3Y185 A189 C190 R191 P198Y185-N194 PolarHBondContact O-ND2 2.92Å; Y185-N194 PolarHBondContact O-OD1 3.23Å; A189-N194 PolarHBondContact O-ND2 3.42Å; A189-N194 VanDerWaalsContact O-ND2 3.15Å; C190-N194 PolarHBondContact O-N 2.67Å; C190-N194 VanDerWaalsContact O-N 3.15Å; C190-N194 PolarHBondContact O-ND2 3.22Å; R191-N194 CarbonylContact O-C 3.58Å; R191-N194 PolarHBondContact O-N 3.41Å; N194-P198 VanDerWaalsContact O-CD 3.23Å; N194-P198 WeakPolarHBondContact O-CD 3.45Å
195H98.4Very high98Very high129 Ų12950.4 Ų50.460%0.59726%0.264SS*.Hα-helixtrans-76.5-43.2173.7178.763000111.9R191 E192 F193R191-H195 WeakPolarHBondContact O-CB 3.45Å; R191-H195 PolarHBondContact O-N 3.47Å; E192-H195 WeakPolarHBondContact O-CB 3.24Å; E192-H195 PolarHBondContact O-N 3.21Å; F193-H195 PolarHBondContact O-N 3.38Å
196I98.6Very high98Very high11 Ų1150.4 Ų50.46%0.05626%0.264CS..Hα-helixtrans-78.8-37.4-178-63.5-59.8000112.4E192 F193 L199 L200 F220 P279 A282E192-I196 WeakPolarHBondContact O-CG1 3.19Å; E192-I196 PolarHBondContact O-N 3.13Å; E192-I196 VanDerWaalsContact O-N 3.1Å; F193-I196 PolarHBondContact O-N 3.4Å; I196-L199 HydrophobicContact CD1-CD1 4.25Å; I196-L199 WeakPolarHBondContact O-CA 3.32Å; I196-L199 VanDerWaalsContact O-CB 3.27Å; I196-L199 WeakPolarHBondContact O-CB 3.47Å; I196-L199 PolarHBondContact O-N 3.23Å; I196-L200 HydrophobicContact CG2-CD1 4Å; I196-L200 HydrophobicContact CG2-CG 4.04Å; I196-L200 PolarHBondContact O-N 3.05Å; I196-F220 HydrophobicContact CG2-CE1 4.28Å; I196-F220 HydrophobicContact CG2-CZ 4.5Å; I196-P279 WeakPolarHBondContact CG1-O 3.32Å; I196-P279 HydrophobicContact CG2-CB 4.3Å; I196-P279 WeakPolarHBondContact CG2-O 3.48Å; I196-A282 HydrophobicContact CB-CB 4.47Å; I196-A282 HydrophobicContact CD1-CB 3.88Å; I196-A282 HydrophobicContact CG1-CB 4.02Å; I196-A282 HydrophobicContact CG2-CB 3.64Å
197F98.6Very high98.1Very high9 Ų947.9 Ų47.94%0.03925%0.249CC..Hα-helixtrans-53.4-44.7-171.2-164.2-87.5000113.8Y178 K182 Y185 F193 L199 L200 E201 Y206 L275 P279Y178-F197 HydrophobicContact CE2-CE1 4.41Å; Y178-F197 AromaticContact CE2-CZ 3.74Å; Y178-F197 HydrophobicContact CE2-CZ 3.74Å; Y178-F197 AromaticContact CZ-CE1 3.99Å; Y178-F197 AromaticContact CZ-CZ 3.77Å; Y178-F197 WeakPolarHBondContact OH-CE1 3.37Å; Y178-F197 WeakPolarHBondContact OH-CZ 3.38Å; K182-F197 HydrophobicContact CD-CE1 4.23Å; K182-F197 HydrophobicContact CG-CE1 4.42Å; Y185-F197 HydrophobicContact CD2-CD2 4.42Å; Y185-F197 HydrophobicContact CD2-CE2 4.22Å; Y185-F197 HydrophobicContact CD2-CZ 4.3Å; Y185-F197 HydrophobicContact CE2-CD2 4.15Å; Y185-F197 HydrophobicContact CE2-CE1 4.5Å; Y185-F197 AromaticContact CE2-CE2 3.61Å; Y185-F197 HydrophobicContact CE2-CE2 3.61Å; Y185-F197 AromaticContact CE2-CZ 3.81Å; Y185-F197 HydrophobicContact CE2-CZ 3.81Å; F193-F197 HydrophobicContact CD1-CB 4.42Å; F193-F197 HydrophobicContact CE1-CB 4.17Å; F193-F197 AromaticContact CE1-CD2 3.6Å; F193-F197 HydrophobicContact CE1-CD2 3.6Å; F193-F197 HydrophobicContact CE1-CE2 4.31Å; F193-F197 HydrophobicContact CE1-CG 4.11Å; F193-F197 AromaticContact CZ-CD2 3.67Å; F193-F197 HydrophobicContact CZ-CD2 3.67Å; F193-F197 HydrophobicContact CZ-CE2 4.13Å; F193-F197 WeakPolarHBondContact O-CB 3.46Å; F193-F197 PolarHBondContact O-N 2.85Å; F197-L199 VanDerWaalsContact C-N 3.26Å; F197-L199 PolarHBondContact O-N 3.06Å; F197-L200 WeakPolarHBondContact O-CB 3.44Å; F197-L200 PolarHBondContact O-N 3.44Å; F197-L200 VanDerWaalsContact O-N 3.13Å; F197-E201 HydrophobicContact CD1-CG 4.21Å; F197-E201 HydrophobicContact CE1-CG 4.1Å; F197-E201 PolarHBondContact O-N 2.81Å; F197-E201 VanDerWaalsContact O-N 3.16Å; F197-Y206 HydrophobicContact CE2-CD1 4.19Å; F197-Y206 HydrophobicContact CZ-CD1 4.35Å; F197-L275 HydrophobicContact CE2-CD2 4.06Å; F197-L275 HydrophobicContact CZ-CD2 4.3Å; F197-P279 HydrophobicContact CD2-CG 4.3Å
198P98.3Very high98.1Very high54 Ų5447.4 Ų47.435%0.35124%0.241SC..Hα-helixtrans-61.7-29.2174.7-23.535.4000114.4N194 E201 Q202N194-P198 VanDerWaalsContact O-CD 3.23Å; N194-P198 WeakPolarHBondContact O-CD 3.45Å; P198-E201 PolarHBondContact O-N 3.3Å; P198-Q202 VanDerWaalsContact O-CG 3.28Å; P198-Q202 WeakPolarHBondContact O-CG 3.46Å; P198-Q202 PolarHBondContact O-N 3.44Å; P198-Q202 VanDerWaalsContact O-N 3.13Å
199L98.4Very high98Very high56 Ų5651.7 Ų51.729%0.29327%0.265SS..Hα-helixtrans-70.9-35.6175.9-56.1177.5000111I196 F197 E201 Q202 N203 F220I196-L199 HydrophobicContact CD1-CD1 4.25Å; I196-L199 WeakPolarHBondContact O-CA 3.32Å; I196-L199 VanDerWaalsContact O-CB 3.27Å; I196-L199 WeakPolarHBondContact O-CB 3.47Å; I196-L199 PolarHBondContact O-N 3.23Å; F197-L199 VanDerWaalsContact C-N 3.26Å; F197-L199 PolarHBondContact O-N 3.06Å; L199-E201 VanDerWaalsContact C-N 3.33Å; L199-Q202 PolarHBondContact O-N 3.45Å; L199-N203 WeakPolarHBondContact O-CB 3.4Å; L199-N203 PolarHBondContact O-N 3.24Å; L199-N203 PolarHBondContact O-ND2 3.05Å; L199-F220 HydrophobicContact CB-CE2 4.09Å; L199-F220 HydrophobicContact CB-CZ 3.86Å
200L98.5Very high98Very high0 Ų053.7 Ų53.70%028%0.281CS..Hα-helixtrans-66-35.9173-67169.9000111.7I196 F197 Q202 C204 G205 Y206 F220 V278 P279I196-L200 HydrophobicContact CG2-CD1 4Å; I196-L200 HydrophobicContact CG2-CG 4.04Å; I196-L200 PolarHBondContact O-N 3.05Å; F197-L200 WeakPolarHBondContact O-CB 3.44Å; F197-L200 PolarHBondContact O-N 3.44Å; F197-L200 VanDerWaalsContact O-N 3.13Å; L200-Q202 VanDerWaalsContact C-N 3.32Å; L200-C204 HydrophobicContact CD2-CB 4.28Å; L200-C204 WeakPolarHBondContact O-CA 3.12Å; L200-C204 WeakPolarHBondContact O-CB 3.09Å; L200-C204 PolarHBondContact O-N 2.86Å; L200-G205 PolarHBondContact O-N 2.94Å; L200-Y206 HydrophobicContact CB-CD1 4.01Å; L200-Y206 HydrophobicContact CB-CD2 3.78Å; L200-Y206 HydrophobicContact CB-CE1 4.24Å; L200-Y206 HydrophobicContact CB-CE2 4.02Å; L200-Y206 HydrophobicContact CB-CG 3.79Å; L200-Y206 HydrophobicContact CD1-CD1 4.4Å; L200-Y206 HydrophobicContact CD1-CE1 3.92Å; L200-Y206 HydrophobicContact CD1-CE2 4.48Å; L200-Y206 HydrophobicContact CD2-CE2 4.16Å; L200-Y206 HydrophobicContact CG-CE2 4.46Å; L200-Y206 PolarHBondContact O-N 3.28Å; L200-F220 HydrophobicContact CD2-CD1 3.52Å; L200-F220 HydrophobicContact CD2-CE1 3.44Å; L200-F220 VanDerWaalsContact CD2-CE1 3.44Å; L200-F220 HydrophobicContact CD2-CG 4.29Å; L200-F220 HydrophobicContact CD2-CZ 4.16Å; L200-F220 HydrophobicContact CG-CE1 4.13Å; L200-V278 HydrophobicContact CD1-CG1 4.14Å; L200-V278 HydrophobicContact CD2-CG1 4.02Å; L200-P279 HydrophobicContact CD1-CB 4.02Å; L200-P279 HydrophobicContact CD1-CG 3.68Å
201E98.3Very high98Very high61 Ų6154 Ų5429%0.28528%0.283SS..Hα-helixtrans-63.6-40173-57.3-160.5110.500111.7Y178 K182 F197 P198 L199 Y206Y178-E201 PolarHBondContact OH-OE1 3.37Å; K182-E201 IonicContact NZ-OE1 3.1Å; K182-E201 PolarHBondContact NZ-OE1 2.86Å; K182-E201 IonicContact NZ-OE2 3.49Å; K182-E201 PolarHBondContact NZ-OE2 3.04Å; F197-E201 HydrophobicContact CD1-CG 4.21Å; F197-E201 HydrophobicContact CE1-CG 4.1Å; F197-E201 PolarHBondContact O-N 2.81Å; F197-E201 VanDerWaalsContact O-N 3.16Å; P198-E201 PolarHBondContact O-N 3.3Å; L199-E201 VanDerWaalsContact C-N 3.33Å; E201-Y206 WeakPolarHBondContact CA-O 3.5Å
202Q97.9Very high98Very high142 Ų14246.3 Ų46.366%0.66425%0.254SS*.Hα-helixtrans-74.5-36-178.8-70.7169.227.200113.6P198 L199 L200P198-Q202 VanDerWaalsContact O-CG 3.28Å; P198-Q202 WeakPolarHBondContact O-CG 3.46Å; P198-Q202 PolarHBondContact O-N 3.44Å; P198-Q202 VanDerWaalsContact O-N 3.13Å; L199-Q202 PolarHBondContact O-N 3.45Å; L200-Q202 VanDerWaalsContact C-N 3.32Å
203N97.9Very high98Very high100 Ų10046.2 Ų46.254%0.53525%0.254SS..Hα-helixtrans-114.8-23.1-166.5-60.5-78.2000114.4L199 F220L199-N203 WeakPolarHBondContact O-CB 3.4Å; L199-N203 PolarHBondContact O-N 3.24Å; L199-N203 PolarHBondContact O-ND2 3.05Å; N203-F220 HydrophobicContact CB-CD2 3.97Å; N203-F220 HydrophobicContact CB-CE2 4.26Å
204C97.4Very high97.9Very high3 Ų346.3 Ų46.32%0.0225%0.254CS..SBendtrans-118.56-172.6-57.80000113.8L200 Y206 P212 V217 F220L200-C204 HydrophobicContact CD2-CB 4.28Å; L200-C204 WeakPolarHBondContact O-CA 3.12Å; L200-C204 WeakPolarHBondContact O-CB 3.09Å; L200-C204 PolarHBondContact O-N 2.86Å; C204-Y206 VanDerWaalsContact C-N 3.34Å; C204-Y206 HydrophobicContact CB-CD2 3.76Å; C204-Y206 HydrophobicContact CB-CE2 3.84Å; C204-Y206 PolarHBondContact O-N 3Å; C204-P212 WeakPolarHBondContact O-CB 3.26Å; C204-V217 HydrophobicContact CB-CG2 4.19Å; C204-F220 WeakPolarHBondContact SG-CB 3.48Å; C204-F220 VanDerWaalsContact SG-CG 3.54Å
205G95.9Very high97.8Very high41 Ų4145.3 Ų45.342%0.42325%0.248SC..  trans74.120.4178.700000114.7L200 S207L200-G205 PolarHBondContact O-N 2.94Å; G205-S207 PolarHBondContact O-N 2.76Å; G205-S207 VanDerWaalsContact O-N 3.08Å
206Y98.3Very high97.7Very high4 Ų441.2 Ų41.22%0.01623%0.23CC..  trans-63.3112.9173.9-80.4-129.3000109.3Y178 F197 L200 E201 C204 P212 V217 L274 L275 V278Y178-Y206 HydrophobicContact CE2-CD1 4.35Å; Y178-Y206 PolarHBondContact OH-O 3.12Å; F197-Y206 HydrophobicContact CE2-CD1 4.19Å; F197-Y206 HydrophobicContact CZ-CD1 4.35Å; L200-Y206 HydrophobicContact CB-CD1 4.01Å; L200-Y206 HydrophobicContact CB-CD2 3.78Å; L200-Y206 HydrophobicContact CB-CE1 4.24Å; L200-Y206 HydrophobicContact CB-CE2 4.02Å; L200-Y206 HydrophobicContact CB-CG 3.79Å; L200-Y206 HydrophobicContact CD1-CD1 4.4Å; L200-Y206 HydrophobicContact CD1-CE1 3.92Å; L200-Y206 HydrophobicContact CD1-CE2 4.48Å; L200-Y206 HydrophobicContact CD2-CE2 4.16Å; L200-Y206 HydrophobicContact CG-CE2 4.46Å; L200-Y206 PolarHBondContact O-N 3.28Å; E201-Y206 WeakPolarHBondContact CA-O 3.5Å; C204-Y206 VanDerWaalsContact C-N 3.34Å; C204-Y206 HydrophobicContact CB-CD2 3.76Å; C204-Y206 HydrophobicContact CB-CE2 3.84Å; C204-Y206 PolarHBondContact O-N 3Å; Y206-P212 HydrophobicContact CD1-CG 4.35Å; Y206-P212 HydrophobicContact CD2-CB 3.74Å; Y206-P212 HydrophobicContact CD2-CG 3.22Å; Y206-P212 HydrophobicContact CE1-CG 4.45Å; Y206-P212 HydrophobicContact CE2-CB 3.55Å; Y206-P212 HydrophobicContact CE2-CG 3.35Å; Y206-P212 HydrophobicContact CG-CG 3.76Å; Y206-V217 HydrophobicContact CE2-CG2 3.95Å; Y206-L274 HydrophobicContact CE1-CB 4.32Å; Y206-L274 WeakPolarHBondContact CE1-O 3.37Å; Y206-L274 WeakPolarHBondContact OH-CB 3.34Å; Y206-L274 PolarHBondContact OH-O 3.19Å; Y206-L275 HydrophobicContact CD1-CD2 4.24Å; Y206-L275 HydrophobicContact CE1-CD2 4.17Å; Y206-V278 WeakPolarHBondContact OH-CG1 3.47Å
207S97.9Very high97.7Very high37 Ų3740.7 Ų40.726%0.25923%0.228SC..BIsolated β-bridgetrans-159.6166.4176.670.20000109.5W174 G205 N209 A210W174-S207 PolarHBondContact NE1-O 2.92Å; G205-S207 PolarHBondContact O-N 2.76Å; G205-S207 VanDerWaalsContact O-N 3.08Å; S207-N209 PolarHBondContact O-N 3.47Å; S207-N209 PolarHBondContact OG-N 3.46Å; S207-A210 PolarHBondContact OG-N 3.01Å
208E97.2Very high97.6Very high73 Ų7340.5 Ų40.534%0.34123%0.228SC..THydrogen-bonded Turntrans-66.7-15173.166.2176.7172.400113.3A175 Y178 R179A175-E208 HydrophobicContact CB-CB 4.39Å; A175-E208 WeakPolarHBondContact CB-O 3.48Å; Y178-E208 HydrophobicContact CD1-CB 4.08Å; R179-E208 IonicContact CZ-OE2 3.74Å; R179-E208 IonicContact NE-OE2 3.56Å; R179-E208 PolarHBondContact NE-OE2 3.44Å; R179-E208 IonicContact NH2-OE2 3.45Å; R179-E208 PolarHBondContact NH2-OE2 3.47Å
209N97.3Very high97.4Very high124 Ų12441.4 Ų41.466%0.66323%0.227SC*.THydrogen-bonded Turntrans-99.5-5.6-171-61.9-49.9000114.1T171 S207T171-N209 WeakPolarHBondContact CG2-O 3.43Å; S207-N209 PolarHBondContact O-N 3.47Å; S207-N209 PolarHBondContact OG-N 3.46Å
210A96.8Very high97.4Very high42 Ų4239.8 Ų39.835%0.34722%0.218SC..BIsolated β-bridgetrans-151.5137.6-177.600000111.1W174 S207 P212W174-A210 PolarHBondContact NE1-O 3.2Å; W174-A210 VanDerWaalsContact NE1-O 3.08Å; S207-A210 PolarHBondContact OG-N 3.01Å; A210-P212 WeakPolarHBondContact O-CD 3.49Å
211I98.4Very high97.4Very high8 Ų839.8 Ų39.84%0.04122%0.218CC..PPolyproline II helixtrans-79.9122.3167.4-61.9167.1000107.7Y166 E170 W174 I256 V270 L274Y166-I211 HydrophobicContact CD1-CD1 3.56Å; Y166-I211 HydrophobicContact CD2-CB 3.69Å; Y166-I211 HydrophobicContact CD2-CD1 4.08Å; Y166-I211 HydrophobicContact CD2-CG1 4.43Å; Y166-I211 HydrophobicContact CD2-CG2 4Å; Y166-I211 HydrophobicContact CE1-CD1 4.02Å; Y166-I211 HydrophobicContact CE1-CG2 4.26Å; Y166-I211 HydrophobicContact CE2-CB 3.77Å; Y166-I211 HydrophobicContact CE2-CD1 4.48Å; Y166-I211 HydrophobicContact CE2-CG2 3.53Å; Y166-I211 HydrophobicContact CG-CB 4.14Å; Y166-I211 HydrophobicContact CG-CD1 3.59Å; Y166-I211 HydrophobicContact CG-CG1 4.39Å; E170-I211 HydrophobicContact CB-CD1 4.32Å; W174-I211 HydrophobicContact CB-CD1 3.91Å; W174-I211 HydrophobicContact CB-CG1 3.51Å; W174-I211 HydrophobicContact CD2-CG1 3.82Å; W174-I211 HydrophobicContact CE3-CG1 4.16Å; W174-I211 HydrophobicContact CE3-CG2 4.44Å; W174-I211 HydrophobicContact CG-CD1 4.44Å; W174-I211 HydrophobicContact CG-CG1 3.52Å; I211-I256 HydrophobicContact CD1-CD1 3.8Å; I211-V270 HydrophobicContact CG2-CG1 4.2Å; I211-V270 HydrophobicContact CG2-CG2 4.16Å; I211-L274 HydrophobicContact CG2-CD1 4.31Å
212P98.4Very high97.2Very high3 Ų342.5 Ų42.52%0.01923%0.225CC..PPolyproline II helixtrans-57.6143.5177.9-23.832000112.4W174 C204 Y206 A210 V217 L274W174-P212 HydrophobicContact CH2-CG 4.05Å; W174-P212 HydrophobicContact CZ2-CG 4Å; C204-P212 WeakPolarHBondContact O-CB 3.26Å; Y206-P212 HydrophobicContact CD1-CG 4.35Å; Y206-P212 HydrophobicContact CD2-CB 3.74Å; Y206-P212 HydrophobicContact CD2-CG 3.22Å; Y206-P212 HydrophobicContact CE1-CG 4.45Å; Y206-P212 HydrophobicContact CE2-CB 3.55Å; Y206-P212 HydrophobicContact CE2-CG 3.35Å; Y206-P212 HydrophobicContact CG-CG 3.76Å; A210-P212 WeakPolarHBondContact O-CD 3.49Å; P212-V217 HydrophobicContact CB-CG2 4.12Å; P212-L274 HydrophobicContact CB-CD1 3.81Å; P212-L274 HydrophobicContact CG-CD1 3.86Å
213Q98Very high97.2Very high25 Ų2543.4 Ų43.412%0.11723%0.229CC..PPolyproline II helixtrans-88.2134.5177.8-62.7-67.2-39.600109.9V164 Q215 D216 V217V164-Q213 PolarHBondContact O-NE2 3.26Å; Q213-Q215 PolarHBondContact O-N 3.12Å; Q213-Q215 VanDerWaalsContact O-N 3.14Å; Q213-D216 PolarHBondContact O-N 2.78Å; Q213-D216 VanDerWaalsContact O-N 3.09Å; Q213-V217 PolarHBondContact O-N 3.22Å
214L97.4Very high97.1Very high1 Ų141.1 Ų41.11%0.00522%0.221CC..Hα-helixtrans-58-31.9-176.5-67.5-162.5000113.3I161 V217 S218 V229 P231 T252 Q254 L274I161-L214 HydrophobicContact CB-CB 4.4Å; I161-L214 HydrophobicContact CD1-CB 4Å; I161-L214 HydrophobicContact CG2-CB 3.77Å; I161-L214 HydrophobicContact CG2-CD1 4.37Å; L214-V217 PolarHBondContact O-N 3.39Å; L214-S218 VanDerWaalsContact O-CB 3.3Å; L214-S218 WeakPolarHBondContact O-CB 3.25Å; L214-S218 PolarHBondContact O-N 3.07Å; L214-V229 HydrophobicContact CB-CG2 3.95Å; L214-V229 VanDerWaalsContact O-CG2 3.31Å; L214-V229 WeakPolarHBondContact O-CG2 3.4Å; L214-P231 HydrophobicContact CD1-CB 4.48Å; L214-T252 HydrophobicContact CD1-CG2 3.83Å; L214-T252 HydrophobicContact CD2-CG2 3.61Å; L214-T252 HydrophobicContact CG-CG2 4.4Å; L214-Q254 HydrophobicContact CD1-CG 3.27Å; L214-Q254 HydrophobicContact CG-CG 3.8Å; L214-L274 HydrophobicContact CD2-CD2 3.87Å
215Q95.8Very high97.1Very high29 Ų2941.5 Ų41.514%0.13622%0.223CC..Hα-helixtrans-59.8-49176.5-177.361.424.800111.5P160 I161 Q213 V217 S218 E219P160-Q215 HydrophobicContact CB-CG 3.9Å; I161-Q215 HydrophobicContact CB-CB 4.21Å; Q213-Q215 PolarHBondContact O-N 3.12Å; Q213-Q215 VanDerWaalsContact O-N 3.14Å; Q215-V217 VanDerWaalsContact C-N 3.29Å; Q215-V217 PolarHBondContact O-N 3.44Å; Q215-S218 WeakPolarHBondContact O-CB 3.41Å; Q215-S218 PolarHBondContact O-N 3.16Å; Q215-E219 PolarHBondContact NE2-OE1 2.81Å; Q215-E219 WeakPolarHBondContact O-CG 3.37Å; Q215-E219 PolarHBondContact O-N 2.89Å
216D96.7Very high97.1Very high43 Ų4341.3 Ų41.323%0.2322%0.221CC..Hα-helixtrans-65-38.5-178.1-53.6-24.4000110.9R163 Q213 E219 F220R163-D216 IonicContact CZ-OD1 2.83Å; R163-D216 IonicContact CZ-OD2 3.87Å; R163-D216 IonicContact NH1-OD1 3.29Å; R163-D216 PolarHBondContact NH1-OD1 2.67Å; R163-D216 IonicContact NH1-OD2 2.97Å; R163-D216 PolarHBondContact NH1-OD2 3.04Å; R163-D216 IonicContact NH2-OD1 3.52Å; R163-D216 PolarHBondContact NH2-OD1 2.76Å; R163-D216 IonicContact NH2-OD2 3.86Å; R163-D216 PolarHBondContact NH2-OD2 2.76Å; Q213-D216 PolarHBondContact O-N 2.78Å; Q213-D216 VanDerWaalsContact O-N 3.09Å; D216-E219 PolarHBondContact O-N 3.01Å; D216-F220 WeakPolarHBondContact O-CB 3.49Å; D216-F220 PolarHBondContact O-N 3.1Å
217V97.8Very high97.1Very high0 Ų041.1 Ų41.10%022%0.22CC..Hα-helixtrans-65.1-42.8175.1173.30000111.5C204 Y206 P212 Q213 L214 Q215 E219 F220 L221 V229 L274 V278C204-V217 HydrophobicContact CB-CG2 4.19Å; Y206-V217 HydrophobicContact CE2-CG2 3.95Å; P212-V217 HydrophobicContact CB-CG2 4.12Å; Q213-V217 PolarHBondContact O-N 3.22Å; L214-V217 PolarHBondContact O-N 3.39Å; Q215-V217 VanDerWaalsContact C-N 3.29Å; Q215-V217 PolarHBondContact O-N 3.44Å; V217-E219 VanDerWaalsContact C-N 3.31Å; V217-E219 PolarHBondContact O-N 3.19Å; V217-F220 PolarHBondContact O-N 2.95Å; V217-L221 HydrophobicContact CG1-CD1 4.09Å; V217-L221 HydrophobicContact CG1-CG 4.36Å; V217-L221 WeakPolarHBondContact O-CB 3.27Å; V217-L221 WeakPolarHBondContact O-CG 3.39Å; V217-L221 PolarHBondContact O-N 2.73Å; V217-V229 HydrophobicContact CG1-CG1 4.34Å; V217-L274 HydrophobicContact CG1-CD2 4.48Å; V217-L274 HydrophobicContact CG2-CD2 4.15Å; V217-V278 HydrophobicContact CG1-CB 4.32Å; V217-V278 HydrophobicContact CG1-CG1 3.53Å; V217-V278 HydrophobicContact CG1-CG2 3.74Å
218S96.2Very high97Very high5 Ų540 Ų404%0.03521%0.212CC..Hα-helixtrans-61.9-40.6178.1-156.10000111.5L214 Q215 R222 T228 V229L214-S218 VanDerWaalsContact O-CB 3.3Å; L214-S218 WeakPolarHBondContact O-CB 3.25Å; L214-S218 PolarHBondContact O-N 3.07Å; Q215-S218 WeakPolarHBondContact O-CB 3.41Å; Q215-S218 PolarHBondContact O-N 3.16Å; S218-R222 VanDerWaalsContact O-CB 3.28Å; S218-R222 WeakPolarHBondContact O-CB 3.4Å; S218-R222 PolarHBondContact O-N 2.93Å; S218-T228 WeakPolarHBondContact OG-CB 3.34Å; S218-V229 PolarHBondContact OG-N 3.27Å; S218-V229 VanDerWaalsContact OG-N 3.07Å; S218-V229 PolarHBondContact OG-O 2.86Å
219E95.2Very high96.9Very high73 Ų7336.5 Ų36.534%0.34120%0.196SC..Hα-helixtrans-66.4-46.4177.3-66.1179.8173.700111.5Q215 D216 V217 R222 E223Q215-E219 PolarHBondContact NE2-OE1 2.81Å; Q215-E219 WeakPolarHBondContact O-CG 3.37Å; Q215-E219 PolarHBondContact O-N 2.89Å; D216-E219 PolarHBondContact O-N 3.01Å; V217-E219 VanDerWaalsContact C-N 3.31Å; V217-E219 PolarHBondContact O-N 3.19Å; E219-R222 WeakPolarHBondContact O-CB 3.37Å; E219-R222 PolarHBondContact O-N 3.36Å; E219-E223 WeakPolarHBondContact O-CG 3.25Å; E219-E223 PolarHBondContact O-N 3.31Å; E219-E223 VanDerWaalsContact O-N 3.11Å
220F97.8Very high96.8Very high21 Ų2130.6 Ų30.69%0.09216%0.164CC..Hα-helixtrans-59.2-49.8175.9176.3-95.5000112.5I196 L199 L200 N203 C204 D216 V217 R222 E223 C224 A282I196-F220 HydrophobicContact CG2-CE1 4.28Å; I196-F220 HydrophobicContact CG2-CZ 4.5Å; L199-F220 HydrophobicContact CB-CE2 4.09Å; L199-F220 HydrophobicContact CB-CZ 3.86Å; L200-F220 HydrophobicContact CD2-CD1 3.52Å; L200-F220 HydrophobicContact CD2-CE1 3.44Å; L200-F220 VanDerWaalsContact CD2-CE1 3.44Å; L200-F220 HydrophobicContact CD2-CG 4.29Å; L200-F220 HydrophobicContact CD2-CZ 4.16Å; L200-F220 HydrophobicContact CG-CE1 4.13Å; N203-F220 HydrophobicContact CB-CD2 3.97Å; N203-F220 HydrophobicContact CB-CE2 4.26Å; C204-F220 WeakPolarHBondContact SG-CB 3.48Å; C204-F220 VanDerWaalsContact SG-CG 3.54Å; D216-F220 WeakPolarHBondContact O-CB 3.49Å; D216-F220 PolarHBondContact O-N 3.1Å; V217-F220 PolarHBondContact O-N 2.95Å; F220-R222 PolarHBondContact O-N 2.79Å; F220-E223 PolarHBondContact O-N 2.86Å; F220-E223 VanDerWaalsContact O-N 3.16Å; F220-C224 VanDerWaalsContact CZ-SG 3.59Å; F220-C224 PolarHBondContact O-N 2.99Å; F220-C224 PolarHBondContact O-SG 3.26Å; F220-C224 VanDerWaalsContact O-SG 3.33Å; F220-A282 HydrophobicContact CE1-CB 3.88Å
221L98.1Very high96.7Very high0 Ų028.7 Ų28.70%015%0.148CC..Hα-helixtrans-61.1-35.4178.1-71.9179.7000112.2V217 E223 C224 T225 G226 F227 V229 V278 F281 A282V217-L221 HydrophobicContact CG1-CD1 4.09Å; V217-L221 HydrophobicContact CG1-CG 4.36Å; V217-L221 WeakPolarHBondContact O-CB 3.27Å; V217-L221 WeakPolarHBondContact O-CG 3.39Å; V217-L221 PolarHBondContact O-N 2.73Å; L221-E223 VanDerWaalsContact C-N 3.3Å; L221-E223 PolarHBondContact O-N 3.27Å; L221-C224 PolarHBondContact O-N 3.21Å; L221-T225 PolarHBondContact O-N 2.85Å; L221-T225 PolarHBondContact O-OG1 3.38Å; L221-G226 PolarHBondContact O-N 2.83Å; L221-G226 VanDerWaalsContact O-N 3.16Å; L221-F227 CarbonylContact C-O 3.59Å; L221-F227 HydrophobicContact CB-CB 4.02Å; L221-F227 VanDerWaalsContact CB-O 3.27Å; L221-F227 WeakPolarHBondContact CB-O 3.43Å; L221-F227 HydrophobicContact CD1-CB 4.49Å; L221-F227 PolarHBondContact O-N 3.03Å; L221-V229 HydrophobicContact CD1-CG1 3.9Å; L221-V278 HydrophobicContact CD1-CG1 4.34Å; L221-V278 HydrophobicContact CD2-CG1 4.34Å; L221-V278 HydrophobicContact CG-CG1 4.48Å; L221-F281 HydrophobicContact CD1-CB 4.29Å; L221-F281 HydrophobicContact CD2-CB 3.95Å; L221-A282 HydrophobicContact CD2-CB 3.84Å
222R95.6Very high96.5Very high119 Ų11928.7 Ų28.745%0.44915%0.149SC..Hα-helixtrans-65.3-38.9178.9-175.5177.662.9-126.1-0.4110.9S218 E219 F220 G226 F227 T228S218-R222 VanDerWaalsContact O-CB 3.28Å; S218-R222 WeakPolarHBondContact O-CB 3.4Å; S218-R222 PolarHBondContact O-N 2.93Å; E219-R222 WeakPolarHBondContact O-CB 3.37Å; E219-R222 PolarHBondContact O-N 3.36Å; F220-R222 PolarHBondContact O-N 2.79Å; R222-G226 VanDerWaalsContact O-CA 3.28Å; R222-G226 WeakPolarHBondContact O-CA 3.43Å; R222-G226 PolarHBondContact O-N 3.07Å; R222-F227 WeakPolarHBondContact CA-O 3.2Å; R222-F227 PolarHBondContact N-O 3.4Å; R222-T228 HydrophobicContact CB-CG2 4.1Å; R222-T228 HydrophobicContact CG-CG2 4.34Å
223E96.2Very high96.2Very high160 Ų16028.7 Ų28.775%0.74815%0.149SC*.Hα-helixtrans-72.1-35.2176.7-69.6179.2-173.900112.7E219 F220 L221E219-E223 WeakPolarHBondContact O-CG 3.25Å; E219-E223 PolarHBondContact O-N 3.31Å; E219-E223 VanDerWaalsContact O-N 3.11Å; F220-E223 PolarHBondContact O-N 2.86Å; F220-E223 VanDerWaalsContact O-N 3.16Å; L221-E223 VanDerWaalsContact C-N 3.3Å; L221-E223 PolarHBondContact O-N 3.27Å
224C97.5Very high95.8Very high53 Ų5327.7 Ų27.736%0.35815%0.145SC..Hα-helixtrans-75.6-52.9179-64.10000113.1F220 L221 A282F220-C224 VanDerWaalsContact CZ-SG 3.59Å; F220-C224 PolarHBondContact O-N 2.99Å; F220-C224 PolarHBondContact O-SG 3.26Å; F220-C224 VanDerWaalsContact O-SG 3.33Å; L221-C224 PolarHBondContact O-N 3.21Å; C224-A282 HydrophobicContact CB-CB 4.07Å
225T97.6Very high95.2Very high10 Ų1031 Ų316%0.06116%0.162CC..Hα-helixtrans-137.34-168.163.40000113.1L221 F227 R248 F281 A282 P284 A287L221-T225 PolarHBondContact O-N 2.85Å; L221-T225 PolarHBondContact O-OG1 3.38Å; T225-F227 PolarHBondContact O-N 3.38Å; T225-F227 PolarHBondContact OG1-N 2.86Å; T225-R248 WeakPolarHBondContact O-CD 3.42Å; T225-R248 PolarHBondContact O-NH1 2.92Å; T225-F281 WeakPolarHBondContact CB-O 3.48Å; T225-F281 WeakPolarHBondContact CG2-O 3.44Å; T225-F281 PolarHBondContact OG1-O 2.87Å; T225-A282 VanDerWaalsContact CG2-C 3.42Å; T225-A282 VanDerWaalsContact CG2-O 3.24Å; T225-A282 WeakPolarHBondContact CG2-O 3.49Å; T225-P284 HydrophobicContact CG2-CG 4.37Å; T225-A287 HydrophobicContact CG2-CB 3.9Å
226G95.9Very high94.8Very high37 Ų3730 Ų3038%0.38116%0.157SC..SBendtrans71.25.8-172.900000113.8L221 R222L221-G226 PolarHBondContact O-N 2.83Å; L221-G226 VanDerWaalsContact O-N 3.16Å; R222-G226 VanDerWaalsContact O-CA 3.28Å; R222-G226 WeakPolarHBondContact O-CA 3.43Å; R222-G226 PolarHBondContact O-N 3.07Å
227F97.1Very high94.4Very high0 Ų028.9 Ų28.90%015%0.154CC..  trans-68.8149.7169.5-100.7-101.4000111.3L221 R222 T225 F245 R248 F281 A287L221-F227 CarbonylContact C-O 3.59Å; L221-F227 HydrophobicContact CB-CB 4.02Å; L221-F227 VanDerWaalsContact CB-O 3.27Å; L221-F227 WeakPolarHBondContact CB-O 3.43Å; L221-F227 HydrophobicContact CD1-CB 4.49Å; L221-F227 PolarHBondContact O-N 3.03Å; R222-F227 WeakPolarHBondContact CA-O 3.2Å; R222-F227 PolarHBondContact N-O 3.4Å; T225-F227 PolarHBondContact O-N 3.38Å; T225-F227 PolarHBondContact OG1-N 2.86Å; F227-F245 AromaticContact CE1-CD1 3.89Å; F227-F245 HydrophobicContact CE1-CD1 3.89Å; F227-F245 HydrophobicContact CE1-CE1 4.35Å; F227-F245 HydrophobicContact CZ-CD1 4.21Å; F227-R248 CarbonylContact C-O 3.56Å; F227-R248 VanDerWaalsContact CA-O 3.26Å; F227-R248 WeakPolarHBondContact CA-O 3.3Å; F227-R248 HydrophobicContact CB-CB 4.43Å; F227-R248 HydrophobicContact CD1-CB 4.16Å; F227-R248 WeakPolarHBondContact CD1-O 3.32Å; F227-R248 HydrophobicContact CD2-CB 3.54Å; F227-R248 HydrophobicContact CD2-CG 3.76Å; F227-R248 HydrophobicContact CE1-CB 4.29Å; F227-R248 HydrophobicContact CE2-CB 3.66Å; F227-R248 HydrophobicContact CE2-CG 3.55Å; F227-R248 HydrophobicContact CG-CB 3.8Å; F227-R248 HydrophobicContact CZ-CB 4.05Å; F227-R248 HydrophobicContact CZ-CG 4.18Å; F227-F281 HydrophobicContact CB-CB 4.46Å; F227-F281 HydrophobicContact CD1-CB 4.21Å; F227-F281 HydrophobicContact CD1-CD1 4.15Å; F227-F281 HydrophobicContact CD1-CG 4.08Å; F227-F281 AromaticContact CE1-CD1 3.84Å; F227-F281 HydrophobicContact CE1-CD1 3.84Å; F227-F281 HydrophobicContact CE1-CE1 4.1Å; F227-F281 HydrophobicContact CE1-CG 4.22Å; F227-F281 HydrophobicContact CG-CB 4.26Å; F227-F281 HydrophobicContact CZ-CD1 4.16Å; F227-F281 HydrophobicContact CZ-CE1 4.46Å; F227-A287 HydrophobicContact CD2-CB 3.71Å; F227-A287 HydrophobicContact CE2-CB 3.64Å; F227-A287 WeakPolarHBondContact CE2-O 3.34Å
228T95.8Very high94.1Very high14 Ų1431.8 Ų31.89%0.08617%0.173CC..EExtended strand (participates in β ladder)trans-136157171.552.70000109S218 R222 R248 V249 F250S218-T228 WeakPolarHBondContact OG-CB 3.34Å; R222-T228 HydrophobicContact CB-CG2 4.1Å; R222-T228 HydrophobicContact CG-CG2 4.34Å; T228-R248 PolarHBondContact N-O 3.08Å; T228-V249 WeakPolarHBondContact O-CA 3.27Å; T228-F250 PolarHBondContact O-N 3.13Å
229V95.4Very high94Very high0 Ų032.3 Ų32.30%018%0.175CC..EExtended strand (participates in β ladder)trans-101.8151.8170.3-58.10000110.5I161 L214 V217 S218 L221 F250I161-V229 HydrophobicContact CD1-CG2 3.77Å; I161-V229 WeakPolarHBondContact CD1-O 3.34Å; L214-V229 HydrophobicContact CB-CG2 3.95Å; L214-V229 VanDerWaalsContact O-CG2 3.31Å; L214-V229 WeakPolarHBondContact O-CG2 3.4Å; V217-V229 HydrophobicContact CG1-CG1 4.34Å; S218-V229 PolarHBondContact OG-N 3.27Å; S218-V229 VanDerWaalsContact OG-N 3.07Å; S218-V229 PolarHBondContact OG-O 2.86Å; L221-V229 HydrophobicContact CD1-CG1 3.9Å; V229-F250 CarbonylContact C-O 3.57Å; V229-F250 VanDerWaalsContact CA-O 3.3Å; V229-F250 WeakPolarHBondContact CA-O 3.32Å; V229-F250 HydrophobicContact CG1-CB 4.49Å; V229-F250 HydrophobicContact CG1-CD1 4.23Å
230R94.5Very high93.8Very high0 Ų029.4 Ų29.40%016%0.162CC..EExtended strand (participates in β ladder)trans-130.7126175.3173177.7177.690.7-0.9108.9D109 Y148 Q150 V232 V249 F250 H251 T252D109-R230 IonicContact OD1-CZ 3.54Å; D109-R230 IonicContact OD1-NH1 2.58Å; D109-R230 PolarHBondContact OD1-NH1 3.28Å; D109-R230 IonicContact OD1-NH2 3.32Å; D109-R230 PolarHBondContact OD1-NH2 3.28Å; Y148-R230 HydrophobicContact CD1-CG 3.98Å; Y148-R230 HydrophobicContact CE1-CB 4.48Å; Y148-R230 HydrophobicContact CE1-CG 3.87Å; Y148-R230 PolarHBondContact O-NH2 3.1Å; Q150-R230 VanDerWaalsContact CB-NH1 3.28Å; Q150-R230 VanDerWaalsContact N-NH1 3.13Å; R230-V232 PolarHBondContact O-N 2.93Å; R230-V249 HydrophobicContact CB-CG1 3.7Å; R230-F250 PolarHBondContact N-O 3.4Å; R230-H251 CarbonylContact O-C 3.58Å; R230-H251 WeakPolarHBondContact O-CA 3.42Å; R230-T252 PolarHBondContact O-N 3.23Å
231P95.2Very high93.6Very high1 Ų130.2 Ų30.21%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-60133.2176.127.4-35.9000110.7A145 Y148 I161 L214 T252 Q254A145-P231 HydrophobicContact CB-CB 4.24Å; Y148-P231 HydrophobicContact CD1-CG 3.65Å; Y148-P231 HydrophobicContact CD2-CG 4.03Å; Y148-P231 HydrophobicContact CE1-CG 4.27Å; Y148-P231 HydrophobicContact CG-CG 3.5Å; I161-P231 HydrophobicContact CG2-CB 4.39Å; I161-P231 HydrophobicContact CG2-CG 4.04Å; L214-P231 HydrophobicContact CD1-CB 4.48Å; P231-T252 CarbonylContact C-O 3.52Å; P231-T252 VanDerWaalsContact CA-O 3.29Å; P231-T252 WeakPolarHBondContact CA-O 3.5Å; P231-Q254 HydrophobicContact CB-CG 4.48Å
232V94.4Very high93.5Very high9 Ų930.4 Ų30.46%0.05517%0.166CC..  trans-127.1142.8174.174.20000110.1A145 R230 G234 L236 H251 T252 T253A145-V232 VanDerWaalsContact CB-C 3.49Å; R230-V232 PolarHBondContact O-N 2.93Å; V232-G234 VanDerWaalsContact C-N 3.35Å; V232-G234 WeakPolarHBondContact CG2-O 3.43Å; V232-L236 HydrophobicContact CG2-CD1 3.94Å; V232-L236 HydrophobicContact CG2-CD2 3.93Å; V232-L236 HydrophobicContact CG2-CG 3.75Å; V232-H251 HydrophobicContact CB-CB 4.04Å; V232-H251 HydrophobicContact CG1-CB 4.06Å; V232-H251 HydrophobicContact CG2-CB 4.45Å; V232-T252 PolarHBondContact N-O 3.07Å; V232-T253 HydrophobicContact CG1-CG2 4.01Å
233A91.7Very high93.5Very high3 Ų324.9 Ų24.93%0.02515%0.146CC..SBendtrans-74.8-25.7-17600000112.9V115 G119 A142 A145V115-A233 HydrophobicContact CG2-CB 3.88Å; G119-A233 WeakPolarHBondContact CA-O 3.25Å; A142-A233 HydrophobicContact CB-CB 3.8Å; A145-A233 HydrophobicContact CB-CB 3.96Å; A145-A233 VanDerWaalsContact CB-N 3.33Å
234G89.3Confident93.5Very high3 Ų317.3 Ų17.33%0.03111%0.111CC..SBendtrans-177.4-155.9-179.200000111.2Y118 V232 L236Y118-G234 WeakPolarHBondContact O-CA 3.48Å; V232-G234 VanDerWaalsContact C-N 3.35Å; V232-G234 WeakPolarHBondContact CG2-O 3.43Å; G234-L236 PolarHBondContact O-N 3.35Å
235L85.2Confident93.5Very high72 Ų7214.9 Ų14.938%0.3779%0.094SC..EExtended strand (participates in β ladder)trans-76.1120.5-174.2-169.2135.4000111.8L116 T117 Y118L116-L235 HydrophobicContact CB-CD2 4.41Å; L116-L235 WeakPolarHBondContact CB-O 3.42Å; L116-L235 HydrophobicContact CD1-CD2 4.23Å; L116-L235 PolarHBondContact N-O 3.22Å; T117-L235 PolarHBondContact O-N 3.25Å; Y118-L235 HydrophobicContact CD2-CB 4.19Å; Y118-L235 HydrophobicContact CD2-CD1 4.38Å; Y118-L235 HydrophobicContact CE2-CD1 4.47Å
236L88.2Confident93.5Very high6 Ų614.4 Ų14.43%0.0319%0.091CC..EExtended strand (participates in β ladder)trans-81.2167172.4-62.6175.5000111.1V115 V232 G234 D240 F241 H251V115-L236 HydrophobicContact CG2-CD2 4.37Å; V232-L236 HydrophobicContact CG2-CD1 3.94Å; V232-L236 HydrophobicContact CG2-CD2 3.93Å; V232-L236 HydrophobicContact CG2-CG 3.75Å; G234-L236 PolarHBondContact O-N 3.35Å; L236-D240 HydrophobicContact CB-CB 4.29Å; L236-F241 HydrophobicContact CB-CB 4.19Å; L236-H251 HydrophobicContact CD1-CB 4.22Å
237S88.2Confident93.5Very high21 Ų2112.7 Ų12.715%0.1477%0.073CC..PPolyproline II helixtrans-59.3148167.280.90000110.8R239 D240 F241S237-R239 PolarHBondContact O-N 3.16Å; S237-D240 PolarHBondContact O-N 3.16Å; S237-D240 VanDerWaalsContact O-N 3.08Å; S237-D240 WeakPolarHBondContact OG-CB 3.37Å; S237-D240 PolarHBondContact OG-N 3.22Å; S237-D240 PolarHBondContact OG-OD2 2.95Å; S237-F241 WeakPolarHBondContact O-CB 3.32Å; S237-F241 PolarHBondContact O-N 3.17Å
238S90.9Very high93.5Very high60 Ų6015.5 Ų15.542%0.428%0.084SC..Hα-helixtrans-55.3-37.3178.2-53.80000111.8L242S238-L242 WeakPolarHBondContact O-CB 3.45Å; S238-L242 WeakPolarHBondContact O-CG 3.39Å; S238-L242 PolarHBondContact O-N 2.71Å
239R93.6Very high93.5Very high17 Ų1714.8 Ų14.86%0.0648%0.08CC..Hα-helixtrans-59.8-52.1175.5178.2178.2-62.5-71.80.8111.8Y4 S237 A243 A300 D302 I305Y4-R239 PolarHBondContact OH-NE 3.21Å; Y4-R239 VanDerWaalsContact OH-NE 3.12Å; S237-R239 PolarHBondContact O-N 3.16Å; R239-A243 VanDerWaalsContact O-CB 3.25Å; R239-A243 WeakPolarHBondContact O-CB 3.38Å; R239-A243 PolarHBondContact O-N 2.86Å; R239-A300 PolarHBondContact NH1-O 3.47Å; R239-A300 PolarHBondContact NH2-O 3.03Å; R239-D302 IonicContact CZ-OD1 3.42Å; R239-D302 IonicContact NE-OD1 3.22Å; R239-D302 IonicContact NH2-OD1 2.76Å; R239-D302 PolarHBondContact NH2-OD1 3.3Å; R239-I305 HydrophobicContact CB-CD1 4.41Å; R239-I305 HydrophobicContact CB-CG1 4.43Å; R239-I305 HydrophobicContact CB-CG2 4.28Å; R239-I305 HydrophobicContact CG-CD1 4.46Å
240D91.6Very high93.6Very high12 Ų1214.8 Ų14.86%0.0648%0.08CC..Hα-helixtrans-68.3-43.9-175.8-67.9-32000111.5F111 L236 S237 A243 G244F111-D240 HydrophobicContact CB-CB 4.44Å; F111-D240 HydrophobicContact CD2-CB 3.51Å; F111-D240 HydrophobicContact CE2-CB 3.8Å; F111-D240 VanDerWaalsContact CE2-O 3.3Å; F111-D240 WeakPolarHBondContact CE2-O 3.05Å; F111-D240 HydrophobicContact CG-CB 4.07Å; L236-D240 HydrophobicContact CB-CB 4.29Å; S237-D240 PolarHBondContact O-N 3.16Å; S237-D240 VanDerWaalsContact O-N 3.08Å; S237-D240 WeakPolarHBondContact OG-CB 3.37Å; S237-D240 PolarHBondContact OG-N 3.22Å; S237-D240 PolarHBondContact OG-OD2 2.95Å; D240-A243 PolarHBondContact O-N 2.91Å; D240-G244 PolarHBondContact O-N 2.85Å
241F93.9Very high93.7Very high38 Ų3814.9 Ų14.917%0.1678%0.08CC..Hα-helixtrans-61.3-51.7177-177.7-103.7000111.4L236 S237 A243 G244 F245 F250 H251 Y312L236-F241 HydrophobicContact CB-CB 4.19Å; S237-F241 WeakPolarHBondContact O-CB 3.32Å; S237-F241 PolarHBondContact O-N 3.17Å; F241-A243 VanDerWaalsContact C-N 3.31Å; F241-A243 PolarHBondContact O-N 3.09Å; F241-G244 PolarHBondContact O-N 3.28Å; F241-G244 VanDerWaalsContact O-N 3.13Å; F241-F245 AromaticContact CD1-CE2 3.95Å; F241-F245 HydrophobicContact CD1-CE2 3.95Å; F241-F245 AromaticContact CE1-CE2 3.52Å; F241-F245 HydrophobicContact CE1-CE2 3.52Å; F241-F245 AromaticContact CE1-CZ 3.8Å; F241-F245 HydrophobicContact CE1-CZ 3.8Å; F241-F245 HydrophobicContact CZ-CE2 4.12Å; F241-F245 AromaticContact CZ-CZ 3.95Å; F241-F245 HydrophobicContact CZ-CZ 3.95Å; F241-F250 HydrophobicContact CE2-CD2 4.45Å; F241-F250 HydrophobicContact CE2-CE2 4.13Å; F241-F250 HydrophobicContact CZ-CD2 4.26Å; F241-F250 AromaticContact CZ-CE2 3.76Å; F241-F250 HydrophobicContact CZ-CE2 3.76Å; F241-H251 HydrophobicContact CD2-CB 3.99Å; F241-H251 HydrophobicContact CE2-CB 4.07Å; F241-Y312 AromaticContact CE1-CE1 3.99Å; F241-Y312 HydrophobicContact CE1-CE1 3.99Å; F241-Y312 AromaticContact CE1-CE2 3.98Å; F241-Y312 HydrophobicContact CE1-CE2 3.98Å; F241-Y312 AromaticContact CE1-CZ 3.58Å
242L96.6Very high93.7Very high3 Ų314.9 Ų14.92%0.0168%0.08CC..Hα-helixtrans-64.3-36.3-179.3-66.9176.9000111.8S238 G244 F245 I293 G294 L308 Y312S238-L242 WeakPolarHBondContact O-CB 3.45Å; S238-L242 WeakPolarHBondContact O-CG 3.39Å; S238-L242 PolarHBondContact O-N 2.71Å; L242-G244 PolarHBondContact O-N 2.93Å; L242-F245 HydrophobicContact CD2-CD2 4.11Å; L242-F245 HydrophobicContact CD2-CE2 4.16Å; L242-F245 WeakPolarHBondContact O-CB 3.36Å; L242-F245 PolarHBondContact O-N 3.12Å; L242-F245 VanDerWaalsContact O-N 3.08Å; L242-I293 HydrophobicContact CD2-CG2 3.82Å; L242-G294 WeakPolarHBondContact O-CA 3.36Å; L242-L308 HydrophobicContact CD1-CB 3.88Å; L242-Y312 HydrophobicContact CD2-CD2 3.89Å; L242-Y312 HydrophobicContact CD2-CG 4.06Å
243A95.6Very high93.9Very high4 Ų414.5 Ų14.53%0.0338%0.077CC..Hα-helixtrans-59.5-29.517700000112.6P102 F111 R239 D240 F241 F245 A246 F247 S297 L298P102-A243 HydrophobicContact CG-CB 3.94Å; F111-A243 HydrophobicContact CZ-CB 4.44Å; R239-A243 VanDerWaalsContact O-CB 3.25Å; R239-A243 WeakPolarHBondContact O-CB 3.38Å; R239-A243 PolarHBondContact O-N 2.86Å; D240-A243 PolarHBondContact O-N 2.91Å; F241-A243 VanDerWaalsContact C-N 3.31Å; F241-A243 PolarHBondContact O-N 3.09Å; A243-F245 VanDerWaalsContact C-N 3.29Å; A243-F245 PolarHBondContact O-N 2.89Å; A243-A246 WeakPolarHBondContact O-CB 3.47Å; A243-A246 PolarHBondContact O-N 3.39Å; A243-F247 WeakPolarHBondContact O-CD2 3.36Å; A243-S297 PolarHBondContact N-OG 3.13Å; A243-L298 HydrophobicContact CB-CD2 3.88Å
244G96.2Very high94.1Very high0 Ų014.6 Ų14.60%08%0.077CC..Hα-helixtrans-57.1-40.4173.400000113D240 F241 L242 A246 F247 R248 V249D240-G244 PolarHBondContact O-N 2.85Å; F241-G244 PolarHBondContact O-N 3.28Å; F241-G244 VanDerWaalsContact O-N 3.13Å; L242-G244 PolarHBondContact O-N 2.93Å; G244-A246 PolarHBondContact O-N 3.19Å; G244-F247 PolarHBondContact O-N 3.45Å; G244-R248 PolarHBondContact O-N 2.74Å; G244-V249 CarbonylContact C-O 3.48Å; G244-V249 WeakPolarHBondContact CA-O 3.41Å; G244-V249 PolarHBondContact O-N 3.27Å
245F97.3Very high94.5Very high2 Ų214.6 Ų14.61%0.0098%0.076CC..Hα-helixtrans-62.9-28.7179.9-66.8-59.7000113.2F227 F241 L242 A243 F247 R248 F250 F281 S290 Q291 Y312F227-F245 AromaticContact CE1-CD1 3.89Å; F227-F245 HydrophobicContact CE1-CD1 3.89Å; F227-F245 HydrophobicContact CE1-CE1 4.35Å; F227-F245 HydrophobicContact CZ-CD1 4.21Å; F241-F245 AromaticContact CD1-CE2 3.95Å; F241-F245 HydrophobicContact CD1-CE2 3.95Å; F241-F245 AromaticContact CE1-CE2 3.52Å; F241-F245 HydrophobicContact CE1-CE2 3.52Å; F241-F245 AromaticContact CE1-CZ 3.8Å; F241-F245 HydrophobicContact CE1-CZ 3.8Å; F241-F245 HydrophobicContact CZ-CE2 4.12Å; F241-F245 AromaticContact CZ-CZ 3.95Å; F241-F245 HydrophobicContact CZ-CZ 3.95Å; L242-F245 HydrophobicContact CD2-CD2 4.11Å; L242-F245 HydrophobicContact CD2-CE2 4.16Å; L242-F245 WeakPolarHBondContact O-CB 3.36Å; L242-F245 PolarHBondContact O-N 3.12Å; L242-F245 VanDerWaalsContact O-N 3.08Å; A243-F245 VanDerWaalsContact C-N 3.29Å; A243-F245 PolarHBondContact O-N 2.89Å; F245-F247 PolarHBondContact O-N 2.98Å; F245-F247 VanDerWaalsContact O-N 3.15Å; F245-R248 PolarHBondContact O-N 3.18Å; F245-F250 HydrophobicContact CE1-CB 4.46Å; F245-F250 AromaticContact CE1-CD2 3.69Å; F245-F250 HydrophobicContact CE1-CD2 3.69Å; F245-F250 HydrophobicContact CE1-CE2 4.46Å; F245-F250 HydrophobicContact CE1-CG 4.49Å; F245-F250 AromaticContact CZ-CD2 3.79Å; F245-F250 HydrophobicContact CZ-CD2 3.79Å; F245-F250 HydrophobicContact CZ-CE2 4.18Å; F245-F281 HydrophobicContact CD1-CE1 4.48Å; F245-F281 HydrophobicContact CD1-CZ 4.48Å; F245-F281 AromaticContact CE1-CE1 3.87Å; F245-F281 HydrophobicContact CE1-CE1 3.87Å; F245-F281 HydrophobicContact CE1-CE2 4.35Å; F245-F281 AromaticContact CE1-CZ 3.5Å; F245-F281 HydrophobicContact CE1-CZ 3.5Å; F245-F281 HydrophobicContact CZ-CZ 4.12Å; F245-S290 VanDerWaalsContact CB-O 3.32Å; F245-S290 WeakPolarHBondContact CB-O 3.4Å; F245-Q291 WeakPolarHBondContact O-CA 3.44Å; F245-Q291 WeakPolarHBondContact O-CG 3.36Å; F245-Y312 HydrophobicContact CD2-CE2 4.44Å; F245-Y312 AromaticContact CE2-CD2 3.98Å; F245-Y312 HydrophobicContact CE2-CD2 3.98Å; F245-Y312 AromaticContact CE2-CE2 3.4Å; F245-Y312 HydrophobicContact CE2-CE2 3.4Å; F245-Y312 AromaticContact CZ-CE2 3.59Å; F245-Y312 HydrophobicContact CZ-CE2 3.59Å
246A96.5Very high95.1Very high0 Ų011.3 Ų11.30%06%0.059CC..Hα-helixtrans-57.9-32175.800000111.8A243 G244 Q291 L295 L298 Y401A243-A246 WeakPolarHBondContact O-CB 3.47Å; A243-A246 PolarHBondContact O-N 3.39Å; G244-A246 PolarHBondContact O-N 3.19Å; A246-Q291 PolarHBondContact O-NE2 2.91Å; A246-L295 HydrophobicContact CB-CD2 4.14Å; A246-L295 HydrophobicContact CB-CG 4.36Å; A246-L298 HydrophobicContact CB-CD1 3.84Å; A246-L298 HydrophobicContact CB-CD2 3.97Å; A246-L298 HydrophobicContact CB-CG 4.11Å; A246-Y401 WeakPolarHBondContact O-CD2 3.5Å
247F96.1Very high95.4Very high2 Ų211.7 Ų11.71%0.0096%0.06CC..THydrogen-bonded Turntrans-95.66.8178.8-63.2-91.1000113.2P102 I105 L108 A243 G244 F245 V249 Y401 V408P102-F247 HydrophobicContact CB-CE2 3.98Å; P102-F247 HydrophobicContact CB-CZ 4.19Å; P102-F247 HydrophobicContact CG-CE2 3.75Å; P102-F247 HydrophobicContact CG-CZ 4.41Å; P102-F247 VanDerWaalsContact O-CZ 3.29Å; P102-F247 WeakPolarHBondContact O-CZ 3.34Å; I105-F247 VanDerWaalsContact CA-CD1 3.46Å; I105-F247 HydrophobicContact CB-CD1 3.71Å; I105-F247 HydrophobicContact CB-CE1 4.38Å; I105-F247 HydrophobicContact CB-CG 4.4Å; I105-F247 HydrophobicContact CD1-CB 4.37Å; I105-F247 HydrophobicContact CG1-CB 4.16Å; I105-F247 HydrophobicContact CG1-CD1 4.23Å; I105-F247 HydrophobicContact CG1-CG 4.46Å; I105-F247 VanDerWaalsContact N-CE1 3.28Å; L108-F247 HydrophobicContact CD1-CB 4.25Å; L108-F247 HydrophobicContact CD1-CG 4.45Å; L108-F247 HydrophobicContact CD2-CD2 4.04Å; L108-F247 HydrophobicContact CD2-CE2 4.45Å; A243-F247 WeakPolarHBondContact O-CD2 3.36Å; G244-F247 PolarHBondContact O-N 3.45Å; F245-F247 PolarHBondContact O-N 2.98Å; F245-F247 VanDerWaalsContact O-N 3.15Å; F247-V249 HydrophobicContact CB-CG2 3.94Å; F247-V249 PolarHBondContact O-N 2.88Å; F247-Y401 HydrophobicContact CB-CE2 4.33Å; F247-Y401 HydrophobicContact CD1-CD2 4.18Å; F247-Y401 AromaticContact CD1-CE2 3.61Å; F247-Y401 HydrophobicContact CD1-CE2 3.61Å; F247-Y401 HydrophobicContact CE1-CE2 4.22Å; F247-Y401 HydrophobicContact CG-CE2 4.25Å; F247-V408 HydrophobicContact CE1-CG2 3.89Å; F247-V408 HydrophobicContact CE2-CG2 3.86Å; F247-V408 HydrophobicContact CZ-CB 4.26Å; F247-V408 HydrophobicContact CZ-CG2 3.39Å
248R96.9Very high95.8Very high58 Ų5811.6 Ų11.622%0.2196%0.058CC..THydrogen-bonded Turntrans54.539.8-168.9-57.7-167.9171.8171.70.2112.3T225 F227 T228 G244 F245 Q291T225-R248 WeakPolarHBondContact O-CD 3.42Å; T225-R248 PolarHBondContact O-NH1 2.92Å; F227-R248 CarbonylContact C-O 3.56Å; F227-R248 VanDerWaalsContact CA-O 3.26Å; F227-R248 WeakPolarHBondContact CA-O 3.3Å; F227-R248 HydrophobicContact CB-CB 4.43Å; F227-R248 HydrophobicContact CD1-CB 4.16Å; F227-R248 WeakPolarHBondContact CD1-O 3.32Å; F227-R248 HydrophobicContact CD2-CB 3.54Å; F227-R248 HydrophobicContact CD2-CG 3.76Å; F227-R248 HydrophobicContact CE1-CB 4.29Å; F227-R248 HydrophobicContact CE2-CB 3.66Å; F227-R248 HydrophobicContact CE2-CG 3.55Å; F227-R248 HydrophobicContact CG-CB 3.8Å; F227-R248 HydrophobicContact CZ-CB 4.05Å; F227-R248 HydrophobicContact CZ-CG 4.18Å; T228-R248 PolarHBondContact N-O 3.08Å; G244-R248 PolarHBondContact O-N 2.74Å; F245-R248 PolarHBondContact O-N 3.18Å; R248-Q291 HydrophobicContact CG-CB 4.39Å; R248-Q291 HydrophobicContact CG-CG 4.31Å; R248-Q291 VanDerWaalsContact CZ-OE1 3.27Å
249V96.6Very high96Very high0 Ų010.6 Ų10.60%05%0.051CC..EExtended strand (participates in β ladder)trans-112.1119.3175.6-179.70000108.9I105 L108 T228 R230 G244 F247I105-V249 HydrophobicContact CD1-CG2 3.85Å; I105-V249 HydrophobicContact CG1-CG2 4.05Å; L108-V249 HydrophobicContact CD1-CB 3.68Å; L108-V249 HydrophobicContact CD1-CG1 3.87Å; L108-V249 HydrophobicContact CD1-CG2 3.59Å; T228-V249 WeakPolarHBondContact O-CA 3.27Å; R230-V249 HydrophobicContact CB-CG1 3.7Å; G244-V249 CarbonylContact C-O 3.48Å; G244-V249 WeakPolarHBondContact CA-O 3.41Å; G244-V249 PolarHBondContact O-N 3.27Å; F247-V249 HydrophobicContact CB-CG2 3.94Å; F247-V249 PolarHBondContact O-N 2.88Å
250F97.3Very high96Very high0 Ų013.4 Ų13.40%07%0.073CC..EExtended strand (participates in β ladder)trans-97.5123.6173.8-179.7-127.9000110T228 V229 R230 F241 F245 T252 E273 H277 F281T228-F250 PolarHBondContact O-N 3.13Å; V229-F250 CarbonylContact C-O 3.57Å; V229-F250 VanDerWaalsContact CA-O 3.3Å; V229-F250 WeakPolarHBondContact CA-O 3.32Å; V229-F250 HydrophobicContact CG1-CB 4.49Å; V229-F250 HydrophobicContact CG1-CD1 4.23Å; R230-F250 PolarHBondContact N-O 3.4Å; F241-F250 HydrophobicContact CE2-CD2 4.45Å; F241-F250 HydrophobicContact CE2-CE2 4.13Å; F241-F250 HydrophobicContact CZ-CD2 4.26Å; F241-F250 AromaticContact CZ-CE2 3.76Å; F241-F250 HydrophobicContact CZ-CE2 3.76Å; F245-F250 HydrophobicContact CE1-CB 4.46Å; F245-F250 AromaticContact CE1-CD2 3.69Å; F245-F250 HydrophobicContact CE1-CD2 3.69Å; F245-F250 HydrophobicContact CE1-CE2 4.46Å; F245-F250 HydrophobicContact CE1-CG 4.49Å; F245-F250 AromaticContact CZ-CD2 3.79Å; F245-F250 HydrophobicContact CZ-CD2 3.79Å; F245-F250 HydrophobicContact CZ-CE2 4.18Å; F250-T252 WeakPolarHBondContact CD1-OG1 3.33Å; F250-T252 VanDerWaalsContact CE1-OG1 3.23Å; F250-T252 WeakPolarHBondContact CE1-OG1 3.37Å; F250-T252 PolarHBondContact O-OG1 3.45Å; F250-E273 HydrophobicContact CE1-CB 4.37Å; F250-E273 WeakPolarHBondContact CZ-OE2 3.44Å; F250-H277 HydrophobicContact CE1-CB 3.7Å; F250-H277 HydrophobicContact CZ-CB 3.69Å; F250-H277 AromaticContact CZ-CD2 3.42Å; F250-H277 VanDerWaalsContact CZ-CD2 3.42Å; F250-H277 WeakPolarHBondContact CZ-CD2 3.31Å; F250-H277 AromaticContact CZ-CG 3.47Å; F250-H277 VanDerWaalsContact CZ-CG 3.47Å; F250-F281 HydrophobicContact CB-CD2 4.28Å; F250-F281 HydrophobicContact CB-CE2 3.92Å; F250-F281 HydrophobicContact CD1-CD2 4.06Å; F250-F281 AromaticContact CD1-CE2 3.59Å; F250-F281 HydrophobicContact CD1-CE2 3.59Å; F250-F281 AromaticContact CD2-CE2 3.55Å; F250-F281 HydrophobicContact CD2-CE2 3.55Å; F250-F281 AromaticContact CD2-CZ 3.9Å; F250-F281 HydrophobicContact CD2-CZ 3.9Å; F250-F281 AromaticContact CE1-CE2 3.94Å; F250-F281 HydrophobicContact CE1-CE2 3.94Å; F250-F281 AromaticContact CE2-CE2 3.87Å; F250-F281 HydrophobicContact CE2-CE2 3.87Å; F250-F281 HydrophobicContact CE2-CZ 4.2Å; F250-F281 HydrophobicContact CG-CD2 4.09Å; F250-F281 AromaticContact CG-CE2 3.4Å; F250-F281 HydrophobicContact CG-CE2 3.4Å; F250-F281 HydrophobicContact CG-CZ 4.16Å; F250-F281 HydrophobicContact CZ-CE2 4.07Å
251H96Very high95.9Very high2 Ų215.4 Ų15.41%0.0099%0.087CC..EExtended strand (participates in β ladder)trans-80.7119.9175.2-67.193.2000108.6R230 V232 L236 F241R230-H251 CarbonylContact O-C 3.58Å; R230-H251 WeakPolarHBondContact O-CA 3.42Å; V232-H251 HydrophobicContact CB-CB 4.04Å; V232-H251 HydrophobicContact CG1-CB 4.06Å; V232-H251 HydrophobicContact CG2-CB 4.45Å; L236-H251 HydrophobicContact CD1-CB 4.22Å; F241-H251 HydrophobicContact CD2-CB 3.99Å; F241-H251 HydrophobicContact CE2-CB 4.07Å
252T96.3Very high95.7Very high0 Ų015 Ų150%09%0.088CC..EExtended strand (participates in β ladder)trans-129128.6-166.3-60.70000110.6L214 R230 P231 V232 F250 E273L214-T252 HydrophobicContact CD1-CG2 3.83Å; L214-T252 HydrophobicContact CD2-CG2 3.61Å; L214-T252 HydrophobicContact CG-CG2 4.4Å; R230-T252 PolarHBondContact O-N 3.23Å; P231-T252 CarbonylContact C-O 3.52Å; P231-T252 VanDerWaalsContact CA-O 3.29Å; P231-T252 WeakPolarHBondContact CA-O 3.5Å; V232-T252 PolarHBondContact N-O 3.07Å; F250-T252 WeakPolarHBondContact CD1-OG1 3.33Å; F250-T252 VanDerWaalsContact CE1-OG1 3.23Å; F250-T252 WeakPolarHBondContact CE1-OG1 3.37Å; F250-T252 PolarHBondContact O-OG1 3.45Å; T252-E273 HydrophobicContact CG2-CB 3.59Å; T252-E273 HydrophobicContact CG2-CG 3.83Å
253T96.9Very high95Very high1 Ų121 Ų211%0.00611%0.114CC..  trans-74.4154.1173.870.40000111.5V232 Y255 P268 E273V232-T253 HydrophobicContact CG1-CG2 4.01Å; T253-Y255 HydrophobicContact CG2-CD1 4.44Å; T253-Y255 HydrophobicContact CG2-CE1 3.64Å; T253-P268 WeakPolarHBondContact CB-O 2.93Å; T253-P268 VanDerWaalsContact CG2-O 3.29Å; T253-P268 WeakPolarHBondContact CG2-O 3.3Å; T253-P268 PolarHBondContact OG1-O 3.26Å; T253-E273 PolarHBondContact N-OE1 2.71Å
254Q97.5Very high94.1Very high5 Ų526.9 Ų26.92%0.02314%0.136CC..  trans-109.1-14.6176.6-73.6-171.9-7500113.8F141 I144 P162 Y166 L214 P231F141-Q254 HydrophobicContact CD1-CB 3.5Å; F141-Q254 VanDerWaalsContact CD1-CB 3.5Å; F141-Q254 HydrophobicContact CE1-CB 3.84Å; F141-Q254 WeakPolarHBondContact CE1-O 3.46Å; F141-Q254 HydrophobicContact CG-CB 4.45Å; I144-Q254 VanDerWaalsContact CG2-OE1 3.22Å; P162-Q254 PolarHBondContact O-NE2 3.46Å; Y166-Q254 WeakPolarHBondContact CE1-O 3.23Å; Y166-Q254 PolarHBondContact OH-O 2.82Å; L214-Q254 HydrophobicContact CD1-CG 3.27Å; L214-Q254 HydrophobicContact CG-CG 3.8Å; P231-Q254 HydrophobicContact CB-CG 4.48Å
255Y97Very high93.3Very high3 Ų328.1 Ų28.11%0.01214%0.144CC..  trans-76.7154.3179.562.4-102.5000111R138 T253 E267 D269 V270R138-Y255 VanDerWaalsContact CD-CB 3.48Å; R138-Y255 VanDerWaalsContact CD-CG 3.45Å; T253-Y255 HydrophobicContact CG2-CD1 4.44Å; T253-Y255 HydrophobicContact CG2-CE1 3.64Å; Y255-E267 HydrophobicContact CE2-CB 4.33Å; Y255-D269 HydrophobicContact CD2-CB 4.1Å; Y255-D269 HydrophobicContact CE2-CB 3.97Å; Y255-V270 WeakPolarHBondContact O-CB 3.4Å; Y255-V270 WeakPolarHBondContact O-CG1 3.37Å; Y255-V270 PolarHBondContact O-N 2.67Å
256I97.3Very high92.3Very high4 Ų431.2 Ų31.22%0.02116%0.164CC..  trans-106.3150.7173.9-166.8162.2000110.6Y134 E170 T173 W174 I211 V270Y134-I256 WeakPolarHBondContact CE2-O 3.49Å; Y134-I256 PolarHBondContact OH-O 2.99Å; Y134-I256 VanDerWaalsContact OH-O 3.06Å; E170-I256 HydrophobicContact CB-CG2 3.76Å; E170-I256 HydrophobicContact CG-CG2 3.56Å; E170-I256 WeakPolarHBondContact O-CD1 3.36Å; T173-I256 HydrophobicContact CG2-CD1 4.09Å; T173-I256 HydrophobicContact CG2-CG1 4.18Å; W174-I256 HydrophobicContact CB-CD1 3.76Å; I211-I256 HydrophobicContact CD1-CD1 3.8Å; I256-V270 HydrophobicContact CB-CG1 3.84Å; I256-V270 HydrophobicContact CD1-CG1 4.39Å; I256-V270 HydrophobicContact CG1-CG1 4.1Å
257R95.5Very high91.7Very high13 Ų1331.4 Ų31.45%0.04917%0.165CC..  trans-53.5154.1173.866.5-169.866.5-176.3-8.3112T173 P262 T265 D269T173-R257 HydrophobicContact CG2-CG 3.79Å; R257-P262 WeakPolarHBondContact CD-O 3.16Å; R257-P262 PolarHBondContact NH1-O 2.82Å; R257-T265 HydrophobicContact CB-CG2 4.11Å; R257-D269 HydrophobicContact CB-CB 4.23Å; R257-D269 WeakPolarHBondContact CB-OD2 3.28Å; R257-D269 WeakPolarHBondContact CG-OD2 3.39Å; R257-D269 IonicContact CZ-OD1 3.37Å; R257-D269 IonicContact CZ-OD2 2.78Å; R257-D269 PolarHBondContact N-OD2 2.86Å; R257-D269 IonicContact NE-OD1 3.96Å; R257-D269 PolarHBondContact NE-OD1 3.14Å; R257-D269 IonicContact NE-OD2 2.79Å; R257-D269 PolarHBondContact NE-OD2 2.83Å; R257-D269 IonicContact NH2-OD1 2.89Å; R257-D269 PolarHBondContact NH2-OD1 3.37Å; R257-D269 IonicContact NH2-OD2 2.67Å
258H96Very high91.5Very high20 Ų2032.9 Ų32.99%0.09318%0.175CC..  trans-63.6136.7179.7-168.8-92.7000112.3P127 D131 Y134 S260 C261P127-H258 HydrophobicContact CB-CB 4.18Å; P127-H258 HydrophobicContact CG-CB 3.94Å; D131-H258 IonicContact OD2-NE2 3.46Å; D131-H258 PolarHBondContact OD2-NE2 3.38Å; Y134-H258 AromaticContact CD2-CD2 3.7Å; Y134-H258 HydrophobicContact CE2-CB 4.11Å; Y134-H258 AromaticContact CG-CD2 3.69Å; H258-S260 PolarHBondContact CE1-OG 2.8Å; H258-S260 WeakPolarHBondContact ND1-CB 3.49Å; H258-S260 PolarHBondContact ND1-N 3.35Å; H258-S260 PolarHBondContact ND1-OG 3.25Å; H258-S260 PolarHBondContact O-N 3.1Å; H258-S260 VanDerWaalsContact O-N 3.14Å; H258-C261 CarbonylContact O-C 3.53Å; H258-C261 PolarHBondContact O-N 3.39Å; H258-C261 VanDerWaalsContact O-N 3.07Å
259S95.1Very high91.5Very high39 Ų3930.1 Ų30.127%0.27316%0.164SC..THydrogen-bonded Turntrans-63.7-21.5-172.463.50000114.4E169 C261 P262E169-S259 WeakPolarHBondContact OE2-CB 3.3Å; E169-S259 PolarHBondContact OE2-OG 3.16Å; S259-C261 VanDerWaalsContact C-N 3.3Å; S259-C261 PolarHBondContact O-N 2.95Å; S259-P262 WeakPolarHBondContact O-CD 3.27Å
260S94Very high91.5Very high76 Ų7630.1 Ų30.153%0.53116%0.164SC..THydrogen-bonded Turntrans-71.5-21.5175.8700000114H258H258-S260 PolarHBondContact CE1-OG 2.8Å; H258-S260 WeakPolarHBondContact ND1-CB 3.49Å; H258-S260 PolarHBondContact ND1-N 3.35Å; H258-S260 PolarHBondContact ND1-OG 3.25Å; H258-S260 PolarHBondContact O-N 3.1Å; H258-S260 VanDerWaalsContact O-N 3.14Å
261C90.2Very high91.5Very high53 Ų5330.1 Ų30.136%0.35816%0.164SC..  trans-132.158-178.2-63.30000110.6H258 S259 K263 Y264H258-C261 CarbonylContact O-C 3.53Å; H258-C261 PolarHBondContact O-N 3.39Å; H258-C261 VanDerWaalsContact O-N 3.07Å; S259-C261 VanDerWaalsContact C-N 3.3Å; S259-C261 PolarHBondContact O-N 2.95Å; C261-K263 PolarHBondContact O-N 2.86Å; C261-Y264 PolarHBondContact O-N 3.29Å
262P88.2Confident91.6Very high29 Ų2930.9 Ų30.919%0.18817%0.168CC..THydrogen-bonded Turntrans-62.2-22.3-175.428.2-34.2000111.8T173 T176 V177 R257 S259T173-P262 HydrophobicContact CG2-CB 4.09Å; T176-P262 HydrophobicContact CG2-CB 4.38Å; T176-P262 HydrophobicContact CG2-CG 4.48Å; V177-P262 WeakPolarHBondContact CG2-O 3.07Å; R257-P262 WeakPolarHBondContact CD-O 3.16Å; R257-P262 PolarHBondContact NH1-O 2.82Å; S259-P262 WeakPolarHBondContact O-CD 3.27Å
263K82.4Confident91.6Very high129 Ų12931.2 Ų31.256%0.56117%0.17SC*.THydrogen-bonded Turntrans-86.8-11.6-172.7-77.4-172-176.2-173.70115C261 F338C261-K263 PolarHBondContact O-N 2.86Å; K263-F338 HydrophobicContact CB-CE1 3.47Å; K263-F338 VanDerWaalsContact CB-CE1 3.47Å; K263-F338 HydrophobicContact CB-CZ 3.56Å; K263-F338 HydrophobicContact CD-CE1 4.15Å; K263-F338 HydrophobicContact CD-CZ 3.79Å; K263-F338 HydrophobicContact CG-CE1 3.58Å; K263-F338 HydrophobicContact CG-CZ 3.72Å; K263-F338 WeakPolarHBondContact O-CE1 3.45Å
264Y76.2Confident91.7Very high129 Ų12931.2 Ų31.251%0.50617%0.169SC..  trans-155.8136.4-177.6171.8-100.5000110C261C261-Y264 PolarHBondContact O-N 3.29Å
265T80.4Confident91.7Very high26 Ų2631 Ų3116%0.1617%0.168CC..  trans-144.9134.7169.3175.60000108.4R257 E267R257-T265 HydrophobicContact CB-CG2 4.11Å; T265-E267 WeakPolarHBondContact CG2-O 3.41Å; T265-E267 PolarHBondContact OG1-N 3.18Å; T265-E267 VanDerWaalsContact OG1-N 3.11Å; T265-E267 PolarHBondContact OG1-O 2.82Å
266P75.2Confident91.8Very high67 Ų6730.8 Ų30.844%0.43517%0.168SC..SBendtrans-75.9-17.816932-33.5000111.8
267E84.9Confident91.8Very high3 Ų330.8 Ų30.81%0.01417%0.168CC..SBendtrans-91142.8-179.8-50.4-175.6124.400111Y118 H126 R138 Y255 T265 D269Y118-E267 WeakPolarHBondContact CB-OE1 3.36Å; Y118-E267 HydrophobicContact CD1-CG 3.52Å; Y118-E267 VanDerWaalsContact CD1-OE1 3.23Å; Y118-E267 WeakPolarHBondContact CD1-OE1 3.3Å; Y118-E267 HydrophobicContact CD2-CG 4.46Å; Y118-E267 HydrophobicContact CE1-CG 4.01Å; Y118-E267 HydrophobicContact CG-CB 4.34Å; Y118-E267 HydrophobicContact CG-CG 3.77Å; H126-E267 IonicContact CD2-OE1 3.62Å; H126-E267 IonicContact CD2-OE2 2.65Å; H126-E267 IonicContact NE2-OE1 3.52Å; H126-E267 IonicContact NE2-OE2 3.25Å; H126-E267 PolarHBondContact NE2-OE2 3.42Å; R138-E267 IonicContact CZ-OE1 2.71Å; R138-E267 IonicContact CZ-OE2 3.64Å; R138-E267 IonicContact NH1-OE1 3.58Å; R138-E267 PolarHBondContact NH1-OE1 2.88Å; R138-E267 IonicContact NH1-OE2 3.74Å; R138-E267 PolarHBondContact NH1-OE2 3.36Å; R138-E267 IonicContact NH2-OE1 2.76Å; R138-E267 PolarHBondContact NH2-OE1 3.4Å; R138-E267 IonicContact NH2-OE2 2.8Å; R138-E267 PolarHBondContact NH2-OE2 2.72Å; Y255-E267 HydrophobicContact CE2-CB 4.33Å; T265-E267 WeakPolarHBondContact CG2-O 3.41Å; T265-E267 PolarHBondContact OG1-N 3.18Å; T265-E267 VanDerWaalsContact OG1-N 3.11Å; T265-E267 PolarHBondContact OG1-O 2.82Å; E267-D269 VanDerWaalsContact C-N 3.28Å; E267-D269 PolarHBondContact O-N 3.09Å
268P91.3Very high92Very high33 Ų3330.2 Ų30.221%0.21417%0.165CC..  trans-74.880.9173.332.1-34.5000109.9T253 H272T253-P268 WeakPolarHBondContact CB-O 2.93Å; T253-P268 VanDerWaalsContact CG2-O 3.29Å; T253-P268 WeakPolarHBondContact CG2-O 3.3Å; T253-P268 PolarHBondContact OG1-O 3.26Å; P268-H272 VanDerWaalsContact CB-CD2 3.47Å; P268-H272 WeakPolarHBondContact CB-CD2 3.41Å
269D96.3Very high92.1Very high0 Ų029.2 Ų29.20%016%0.161CC..  trans-75.7169.9175.882.7-46.3000111.9Y255 R257 E267 C271 H272 E273Y255-D269 HydrophobicContact CD2-CB 4.1Å; Y255-D269 HydrophobicContact CE2-CB 3.97Å; R257-D269 HydrophobicContact CB-CB 4.23Å; R257-D269 WeakPolarHBondContact CB-OD2 3.28Å; R257-D269 WeakPolarHBondContact CG-OD2 3.39Å; R257-D269 IonicContact CZ-OD1 3.37Å; R257-D269 IonicContact CZ-OD2 2.78Å; R257-D269 PolarHBondContact N-OD2 2.86Å; R257-D269 IonicContact NE-OD1 3.96Å; R257-D269 PolarHBondContact NE-OD1 3.14Å; R257-D269 IonicContact NE-OD2 2.79Å; R257-D269 PolarHBondContact NE-OD2 2.83Å; R257-D269 IonicContact NH2-OD1 2.89Å; R257-D269 PolarHBondContact NH2-OD1 3.37Å; R257-D269 IonicContact NH2-OD2 2.67Å; E267-D269 VanDerWaalsContact C-N 3.28Å; E267-D269 PolarHBondContact O-N 3.09Å; D269-C271 PolarHBondContact O-N 3.38Å; D269-C271 WeakPolarHBondContact OD1-CB 3.38Å; D269-C271 PolarHBondContact OD2-SG 3.45Å; D269-H272 WeakPolarHBondContact O-CA 3.31Å; D269-H272 WeakPolarHBondContact O-CB 3.3Å; D269-H272 PolarHBondContact O-N 2.7Å; D269-H272 PolarHBondContact OD1-N 3.14Å; D269-E273 WeakPolarHBondContact O-CG 3.34Å; D269-E273 PolarHBondContact O-N 3.24Å; D269-E273 VanDerWaalsContact O-N 3.16Å
270V97.5Very high92.3Very high0 Ų027.4 Ų27.40%015%0.148CC..Hα-helixtrans-54-26.2-178.673.90000113.7I211 Y255 I256 L274I211-V270 HydrophobicContact CG2-CG1 4.2Å; I211-V270 HydrophobicContact CG2-CG2 4.16Å; Y255-V270 WeakPolarHBondContact O-CB 3.4Å; Y255-V270 WeakPolarHBondContact O-CG1 3.37Å; Y255-V270 PolarHBondContact O-N 2.67Å; I256-V270 HydrophobicContact CB-CG1 3.84Å; I256-V270 HydrophobicContact CD1-CG1 4.39Å; I256-V270 HydrophobicContact CG1-CG1 4.1Å; V270-L274 HydrophobicContact CG2-CD1 3.55Å; V270-L274 HydrophobicContact CG2-CG 3.81Å; V270-L274 VanDerWaalsContact O-CB 3.26Å; V270-L274 WeakPolarHBondContact O-CB 3.3Å; V270-L274 VanDerWaalsContact O-CG 3.23Å; V270-L274 WeakPolarHBondContact O-CG 3.06Å; V270-L274 PolarHBondContact O-N 3.11Å
271C97.5Very high92.5Very high0 Ų023.8 Ų23.80%012%0.123CC..Hα-helixtrans-65.5-46.7172.3-56.50000111.6V177 D269 E273 L275V177-C271 HydrophobicContact CG1-CB 4.11Å; D269-C271 PolarHBondContact O-N 3.38Å; D269-C271 WeakPolarHBondContact OD1-CB 3.38Å; D269-C271 PolarHBondContact OD2-SG 3.45Å; C271-E273 VanDerWaalsContact C-N 3.35Å; C271-L275 WeakPolarHBondContact O-CB 3.15Å; C271-L275 WeakPolarHBondContact O-CG 3.4Å; C271-L275 PolarHBondContact O-N 2.77Å
272H97.1Very high92.9Very high19 Ų1921.5 Ų21.59%0.08811%0.107CC..Hα-helixtrans-59.8-46.2176.1172.382000111.7P268 D269 G276 H277 E317 S336P268-H272 VanDerWaalsContact CB-CD2 3.47Å; P268-H272 WeakPolarHBondContact CB-CD2 3.41Å; D269-H272 WeakPolarHBondContact O-CA 3.31Å; D269-H272 WeakPolarHBondContact O-CB 3.3Å; D269-H272 PolarHBondContact O-N 2.7Å; D269-H272 PolarHBondContact OD1-N 3.14Å; H272-G276 WeakPolarHBondContact O-CA 3.28Å; H272-G276 PolarHBondContact O-N 3.18Å; H272-H277 AromaticContact CD2-CD2 3.81Å; H272-H277 AromaticContact CD2-NE2 3.91Å; H272-H277 AromaticContact CE1-NE2 3.85Å; H272-H277 AromaticContact NE2-CD2 3.5Å; H272-H277 PolarHBondContact NE2-CD2 3.15Å; H272-H277 AromaticContact NE2-NE2 3.14Å; H272-H277 PolarHBondContact NE2-NE2 3.1Å; H272-H277 VanDerWaalsContact NE2-NE2 3.14Å; H272-H277 PolarHBondContact O-N 3.32Å; H272-E317 IonicContact CE1-OE2 3.41Å; H272-E317 PolarHBondContact CE1-OE2 3.18Å; H272-E317 IonicContact NE2-OE2 3.66Å; H272-S336 PolarHBondContact ND1-OG 3.08Å
273E97.9Very high93.3Very high7 Ų721.3 Ų21.33%0.03311%0.105CC..Iπ-helixtrans-65-50.9-177.4-47.4-67.4-157.300112.2F250 T252 T253 D269 C271 H277 V278F250-E273 HydrophobicContact CE1-CB 4.37Å; F250-E273 WeakPolarHBondContact CZ-OE2 3.44Å; T252-E273 HydrophobicContact CG2-CB 3.59Å; T252-E273 HydrophobicContact CG2-CG 3.83Å; T253-E273 PolarHBondContact N-OE1 2.71Å; D269-E273 WeakPolarHBondContact O-CG 3.34Å; D269-E273 PolarHBondContact O-N 3.24Å; D269-E273 VanDerWaalsContact O-N 3.16Å; C271-E273 VanDerWaalsContact C-N 3.35Å; E273-H277 WeakPolarHBondContact O-CB 3.34Å; E273-H277 PolarHBondContact O-N 2.91Å; E273-H277 IonicContact OE2-CD2 2.87Å; E273-H277 PolarHBondContact OE2-CD2 2.82Å; E273-V278 WeakPolarHBondContact O-CG2 3.42Å; E273-V278 PolarHBondContact O-N 3.47Å; E273-V278 VanDerWaalsContact O-N 3.07Å
274L98.3Very high94Very high0 Ų018.8 Ų18.80%010%0.102CC..Iπ-helixtrans-77.7-37.5-173.9-63.4-174.2000112.7W174 Y206 I211 P212 L214 V217 V270 V278 P279W174-L274 HydrophobicContact CH2-CB 4.05Å; W174-L274 HydrophobicContact CH2-CD1 4.09Å; W174-L274 HydrophobicContact CZ3-CB 4.12Å; W174-L274 HydrophobicContact CZ3-CD1 4.06Å; Y206-L274 HydrophobicContact CE1-CB 4.32Å; Y206-L274 WeakPolarHBondContact CE1-O 3.37Å; Y206-L274 WeakPolarHBondContact OH-CB 3.34Å; Y206-L274 PolarHBondContact OH-O 3.19Å; I211-L274 HydrophobicContact CG2-CD1 4.31Å; P212-L274 HydrophobicContact CB-CD1 3.81Å; P212-L274 HydrophobicContact CG-CD1 3.86Å; L214-L274 HydrophobicContact CD2-CD2 3.87Å; V217-L274 HydrophobicContact CG1-CD2 4.48Å; V217-L274 HydrophobicContact CG2-CD2 4.15Å; V270-L274 HydrophobicContact CG2-CD1 3.55Å; V270-L274 HydrophobicContact CG2-CG 3.81Å; V270-L274 VanDerWaalsContact O-CB 3.26Å; V270-L274 WeakPolarHBondContact O-CB 3.3Å; V270-L274 VanDerWaalsContact O-CG 3.23Å; V270-L274 WeakPolarHBondContact O-CG 3.06Å; V270-L274 PolarHBondContact O-N 3.11Å; L274-V278 HydrophobicContact CD2-CG2 3.97Å; L274-P279 WeakPolarHBondContact O-CD 3.17Å
275L98Very high94.9Very high0 Ų015.4 Ų15.40%09%0.092CC..Iπ-helixtrans-93.7-21.2-176-57.3175.7000113.2W174 V177 Y178 L181 Y185 F193 F197 Y206 C271W174-L275 HydrophobicContact CE3-CD1 4.48Å; W174-L275 HydrophobicContact CH2-CD1 4.1Å; W174-L275 HydrophobicContact CH2-CD2 3.59Å; W174-L275 HydrophobicContact CH2-CG 3.75Å; W174-L275 HydrophobicContact CZ2-CD2 4.11Å; W174-L275 HydrophobicContact CZ3-CD1 3.99Å; W174-L275 HydrophobicContact CZ3-CD2 4.25Å; W174-L275 HydrophobicContact CZ3-CG 3.89Å; V177-L275 HydrophobicContact CG1-CD1 3.99Å; Y178-L275 HydrophobicContact CD2-CD1 4.38Å; Y178-L275 HydrophobicContact CD2-CD2 3.73Å; Y178-L275 HydrophobicContact CE2-CD2 3.91Å; L181-L275 HydrophobicContact CD1-CB 4.38Å; L181-L275 HydrophobicContact CD1-CD1 3.98Å; Y185-L275 PolarHBondContact OH-O 3.37Å; F193-L275 VanDerWaalsContact CE2-O 3.27Å; F193-L275 WeakPolarHBondContact CE2-O 3.49Å; F193-L275 WeakPolarHBondContact CZ-O 3.43Å; F197-L275 HydrophobicContact CE2-CD2 4.06Å; F197-L275 HydrophobicContact CZ-CD2 4.3Å; Y206-L275 HydrophobicContact CD1-CD2 4.24Å; Y206-L275 HydrophobicContact CE1-CD2 4.17Å; C271-L275 WeakPolarHBondContact O-CB 3.15Å; C271-L275 WeakPolarHBondContact O-CG 3.4Å; C271-L275 PolarHBondContact O-N 2.77Å
276G97.6Very high95.8Very high0 Ų014.3 Ų14.30%09%0.085CC..Iπ-helixtrans-96.3-62.3177.200000112.8H272H272-G276 WeakPolarHBondContact O-CA 3.28Å; H272-G276 PolarHBondContact O-N 3.18Å
277H98.5Very high96.8Very high4 Ų411.1 Ų11.12%0.0197%0.065CC..Iπ-helixtrans-82.1-52.7-168.7-77.7-69.5000114.6F250 H272 E273 P279 L280 F281 Y312 E317 A332F250-H277 HydrophobicContact CE1-CB 3.7Å; F250-H277 HydrophobicContact CZ-CB 3.69Å; F250-H277 AromaticContact CZ-CD2 3.42Å; F250-H277 VanDerWaalsContact CZ-CD2 3.42Å; F250-H277 WeakPolarHBondContact CZ-CD2 3.31Å; F250-H277 AromaticContact CZ-CG 3.47Å; F250-H277 VanDerWaalsContact CZ-CG 3.47Å; H272-H277 AromaticContact CD2-CD2 3.81Å; H272-H277 AromaticContact CD2-NE2 3.91Å; H272-H277 AromaticContact CE1-NE2 3.85Å; H272-H277 AromaticContact NE2-CD2 3.5Å; H272-H277 PolarHBondContact NE2-CD2 3.15Å; H272-H277 AromaticContact NE2-NE2 3.14Å; H272-H277 PolarHBondContact NE2-NE2 3.1Å; H272-H277 VanDerWaalsContact NE2-NE2 3.14Å; H272-H277 PolarHBondContact O-N 3.32Å; E273-H277 WeakPolarHBondContact O-CB 3.34Å; E273-H277 PolarHBondContact O-N 2.91Å; E273-H277 IonicContact OE2-CD2 2.87Å; E273-H277 PolarHBondContact OE2-CD2 2.82Å; H277-P279 VanDerWaalsContact C-CD 3.44Å; H277-L280 PolarHBondContact O-N 3.07Å; H277-L280 VanDerWaalsContact O-N 3.16Å; H277-F281 HydrophobicContact CB-CD2 4.19Å; H277-F281 HydrophobicContact CB-CE2 3.68Å; H277-F281 HydrophobicContact CB-CZ 4.43Å; H277-F281 PolarHBondContact O-N 3.41Å; H277-Y312 PolarHBondContact CE1-OH 2.86Å; H277-E317 IonicContact CE1-OE1 3.29Å; H277-E317 PolarHBondContact CE1-OE1 3.41Å; H277-E317 IonicContact CE1-OE2 3.56Å; H277-E317 IonicContact NE2-OE1 3.82Å; H277-E317 PolarHBondContact NE2-OE1 3.46Å; H277-E317 VanDerWaalsContact NE2-OE1 3.15Å; H277-E317 IonicContact NE2-OE2 2.79Å; H277-A332 HydrophobicContact CB-CB 4.33Å; H277-A332 VanDerWaalsContact CD2-CB 3.49Å; H277-A332 WeakPolarHBondContact CD2-CB 3.31Å; H277-A332 WeakPolarHBondContact CE1-CB 3.44Å; H277-A332 VanDerWaalsContact CG-CB 3.48Å; H277-A332 WeakPolarHBondContact ND1-CB 3.34Å; H277-A332 WeakPolarHBondContact NE2-CB 3.31Å
278V98.6Very high97.3Very high0 Ų014.1 Ų14.10%08%0.079CC..Hα-helixtrans-51.5-45.1-169166.20000113.8L200 Y206 V217 L221 E273 L274 L280 F281 A282L200-V278 HydrophobicContact CD1-CG1 4.14Å; L200-V278 HydrophobicContact CD2-CG1 4.02Å; Y206-V278 WeakPolarHBondContact OH-CG1 3.47Å; V217-V278 HydrophobicContact CG1-CB 4.32Å; V217-V278 HydrophobicContact CG1-CG1 3.53Å; V217-V278 HydrophobicContact CG1-CG2 3.74Å; L221-V278 HydrophobicContact CD1-CG1 4.34Å; L221-V278 HydrophobicContact CD2-CG1 4.34Å; L221-V278 HydrophobicContact CG-CG1 4.48Å; E273-V278 WeakPolarHBondContact O-CG2 3.42Å; E273-V278 PolarHBondContact O-N 3.47Å; E273-V278 VanDerWaalsContact O-N 3.07Å; L274-V278 HydrophobicContact CD2-CG2 3.97Å; V278-L280 VanDerWaalsContact C-N 3.27Å; V278-L280 PolarHBondContact O-N 2.77Å; V278-F281 PolarHBondContact O-N 2.81Å; V278-F281 VanDerWaalsContact O-N 3.16Å; V278-A282 PolarHBondContact O-N 3.03Å
279P98.6Very high97.5Very high0 Ų012.7 Ų12.70%07%0.069CC..Hα-helixtrans-59.3-36-176.3-26.837.4000113.6F193 I196 F197 L200 L274 H277F193-P279 HydrophobicContact CD2-CB 3.56Å; F193-P279 HydrophobicContact CD2-CG 3.97Å; F193-P279 HydrophobicContact CE2-CB 3.61Å; F193-P279 HydrophobicContact CE2-CG 3.45Å; F193-P279 VanDerWaalsContact CE2-CG 3.45Å; F193-P279 HydrophobicContact CG-CB 4.24Å; F193-P279 HydrophobicContact CZ-CB 4.29Å; F193-P279 HydrophobicContact CZ-CG 3.93Å; I196-P279 WeakPolarHBondContact CG1-O 3.32Å; I196-P279 HydrophobicContact CG2-CB 4.3Å; I196-P279 WeakPolarHBondContact CG2-O 3.48Å; F197-P279 HydrophobicContact CD2-CG 4.3Å; L200-P279 HydrophobicContact CD1-CB 4.02Å; L200-P279 HydrophobicContact CD1-CG 3.68Å; L274-P279 WeakPolarHBondContact O-CD 3.17Å; H277-P279 VanDerWaalsContact C-CD 3.44Å
280L98.6Very high97.6Very high1 Ų112.7 Ų12.71%0.0057%0.07CC..Hα-helixtrans-82.6-24.1179.9-69.5179000113.3E192 F193 H277 V278 A282 D283 F286 Y330 L335 F379E192-L280 HydrophobicContact CB-CD2 4.09Å; F193-L280 HydrophobicContact CB-CD2 4.21Å; H277-L280 PolarHBondContact O-N 3.07Å; H277-L280 VanDerWaalsContact O-N 3.16Å; V278-L280 VanDerWaalsContact C-N 3.27Å; V278-L280 PolarHBondContact O-N 2.77Å; L280-A282 PolarHBondContact O-N 3.39Å; L280-D283 WeakPolarHBondContact O-CB 3.12Å; L280-D283 PolarHBondContact O-N 2.89Å; L280-F286 HydrophobicContact CB-CB 4.44Å; L280-F286 HydrophobicContact CB-CD1 3.5Å; L280-F286 HydrophobicContact CB-CD2 4.2Å; L280-F286 HydrophobicContact CB-CE1 3.61Å; L280-F286 HydrophobicContact CB-CE2 4.31Å; L280-F286 HydrophobicContact CB-CG 3.79Å; L280-F286 HydrophobicContact CB-CZ 4.01Å; L280-F286 HydrophobicContact CD1-CD2 4.21Å; L280-F286 HydrophobicContact CD1-CE1 4.46Å; L280-F286 HydrophobicContact CD1-CE2 3.91Å; L280-F286 HydrophobicContact CD1-CZ 4.02Å; L280-F286 WeakPolarHBondContact O-CB 3.33Å; L280-F286 VanDerWaalsContact O-CD1 3.3Å; L280-F286 WeakPolarHBondContact O-CD1 3.14Å; L280-Y330 HydrophobicContact CD1-CD2 4.15Å; L280-Y330 HydrophobicContact CD1-CG 4.45Å; L280-Y330 WeakPolarHBondContact CD1-O 3.37Å; L280-L335 HydrophobicContact CD1-CD1 4.32Å; L280-F379 HydrophobicContact CD2-CE2 4.24Å; L280-F379 HydrophobicContact CD2-CZ 4.22Å
281F98.6Very high97.5Very high0 Ų013.6 Ų13.60%07%0.074CC..Hα-helixtrans-66.8-15.8171.3-67.6-42.1000113.4L221 T225 F227 F245 F250 H277 V278 D283 F286L221-F281 HydrophobicContact CD1-CB 4.29Å; L221-F281 HydrophobicContact CD2-CB 3.95Å; T225-F281 WeakPolarHBondContact CB-O 3.48Å; T225-F281 WeakPolarHBondContact CG2-O 3.44Å; T225-F281 PolarHBondContact OG1-O 2.87Å; F227-F281 HydrophobicContact CB-CB 4.46Å; F227-F281 HydrophobicContact CD1-CB 4.21Å; F227-F281 HydrophobicContact CD1-CD1 4.15Å; F227-F281 HydrophobicContact CD1-CG 4.08Å; F227-F281 AromaticContact CE1-CD1 3.84Å; F227-F281 HydrophobicContact CE1-CD1 3.84Å; F227-F281 HydrophobicContact CE1-CE1 4.1Å; F227-F281 HydrophobicContact CE1-CG 4.22Å; F227-F281 HydrophobicContact CG-CB 4.26Å; F227-F281 HydrophobicContact CZ-CD1 4.16Å; F227-F281 HydrophobicContact CZ-CE1 4.46Å; F245-F281 HydrophobicContact CD1-CE1 4.48Å; F245-F281 HydrophobicContact CD1-CZ 4.48Å; F245-F281 AromaticContact CE1-CE1 3.87Å; F245-F281 HydrophobicContact CE1-CE1 3.87Å; F245-F281 HydrophobicContact CE1-CE2 4.35Å; F245-F281 AromaticContact CE1-CZ 3.5Å; F245-F281 HydrophobicContact CE1-CZ 3.5Å; F245-F281 HydrophobicContact CZ-CZ 4.12Å; F250-F281 HydrophobicContact CB-CD2 4.28Å; F250-F281 HydrophobicContact CB-CE2 3.92Å; F250-F281 HydrophobicContact CD1-CD2 4.06Å; F250-F281 AromaticContact CD1-CE2 3.59Å; F250-F281 HydrophobicContact CD1-CE2 3.59Å; F250-F281 AromaticContact CD2-CE2 3.55Å; F250-F281 HydrophobicContact CD2-CE2 3.55Å; F250-F281 AromaticContact CD2-CZ 3.9Å; F250-F281 HydrophobicContact CD2-CZ 3.9Å; F250-F281 AromaticContact CE1-CE2 3.94Å; F250-F281 HydrophobicContact CE1-CE2 3.94Å; F250-F281 AromaticContact CE2-CE2 3.87Å; F250-F281 HydrophobicContact CE2-CE2 3.87Å; F250-F281 HydrophobicContact CE2-CZ 4.2Å; F250-F281 HydrophobicContact CG-CD2 4.09Å; F250-F281 AromaticContact CG-CE2 3.4Å; F250-F281 HydrophobicContact CG-CE2 3.4Å; F250-F281 HydrophobicContact CG-CZ 4.16Å; F250-F281 HydrophobicContact CZ-CE2 4.07Å; H277-F281 HydrophobicContact CB-CD2 4.19Å; H277-F281 HydrophobicContact CB-CE2 3.68Å; H277-F281 HydrophobicContact CB-CZ 4.43Å; H277-F281 PolarHBondContact O-N 3.41Å; V278-F281 PolarHBondContact O-N 2.81Å; V278-F281 VanDerWaalsContact O-N 3.16Å; F281-D283 VanDerWaalsContact C-N 3.35Å; F281-F286 AromaticContact CD1-CD1 4Å; F281-F286 HydrophobicContact CD1-CD1 4Å; F281-F286 AromaticContact CD1-CE1 3.89Å; F281-F286 HydrophobicContact CD1-CE1 3.89Å; F281-F286 HydrophobicContact CE1-CD1 4.27Å; F281-F286 AromaticContact CE1-CE1 3.75Å; F281-F286 HydrophobicContact CE1-CE1 3.75Å
282A98.5Very high97.3Very high4 Ų415 Ų153%0.0338%0.08CC..THydrogen-bonded Turntrans-82.9-8.7170.400000113.6I196 F220 L221 C224 T225 V278 L280I196-A282 HydrophobicContact CB-CB 4.47Å; I196-A282 HydrophobicContact CD1-CB 3.88Å; I196-A282 HydrophobicContact CG1-CB 4.02Å; I196-A282 HydrophobicContact CG2-CB 3.64Å; F220-A282 HydrophobicContact CE1-CB 3.88Å; L221-A282 HydrophobicContact CD2-CB 3.84Å; C224-A282 HydrophobicContact CB-CB 4.07Å; T225-A282 VanDerWaalsContact CG2-C 3.42Å; T225-A282 VanDerWaalsContact CG2-O 3.24Å; T225-A282 WeakPolarHBondContact CG2-O 3.49Å; V278-A282 PolarHBondContact O-N 3.03Å; L280-A282 PolarHBondContact O-N 3.39Å
283D98.1Very high97.2Very high26 Ų2614.1 Ų14.114%0.1398%0.076CC..SBendtrans-84.8127172.8176.676.3000110.8E192 L280 F281 D285 F286 A287E192-D283 HydrophobicContact CB-CB 4.48Å; L280-D283 WeakPolarHBondContact O-CB 3.12Å; L280-D283 PolarHBondContact O-N 2.89Å; F281-D283 VanDerWaalsContact C-N 3.35Å; D283-D285 PolarHBondContact O-N 3.25Å; D283-D285 PolarHBondContact OD2-N 3.42Å; D283-F286 HydrophobicContact CB-CB 4.07Å; D283-F286 PolarHBondContact O-N 3.05Å; D283-F286 PolarHBondContact OD2-N 3.48Å; D283-A287 WeakPolarHBondContact O-CB 3.49Å; D283-A287 PolarHBondContact O-N 3.09Å
284P96.9Very high97.1Very high75 Ų7513.8 Ų13.849%0.4877%0.074SC..Hα-helixtrans-61.9-34.1-176.6-27.235.6000115.6T225 Q288T225-P284 HydrophobicContact CG2-CG 4.37Å; P284-Q288 WeakPolarHBondContact O-CG 3.48Å; P284-Q288 PolarHBondContact O-N 3.25Å; P284-Q288 VanDerWaalsContact O-N 3.17Å; P284-Q288 PolarHBondContact O-NE2 3Å
285D95.4Very high96.9Very high59 Ų5914.6 Ų14.632%0.3168%0.079SC..Hα-helixtrans-78.1-40.9-179.1-90.1-30.6000110.9D283 Q288 F289 F379 K383D283-D285 PolarHBondContact O-N 3.25Å; D283-D285 PolarHBondContact OD2-N 3.42Å; D285-Q288 PolarHBondContact O-N 3.49Å; D285-F289 WeakPolarHBondContact O-CB 3.44Å; D285-F289 PolarHBondContact O-N 3.23Å; D285-F379 HydrophobicContact CB-CB 3.92Å; D285-K383 IonicContact OD1-NZ 3.45Å
286F97.5Very high96.6Very high2 Ų214.7 Ų14.71%0.0098%0.08CC..Hα-helixtrans-65.2-43.6173.6-168.6-91.8000111.8L280 F281 D283 Q288 F289 S290 V316 Y330 F379L280-F286 HydrophobicContact CB-CB 4.44Å; L280-F286 HydrophobicContact CB-CD1 3.5Å; L280-F286 HydrophobicContact CB-CD2 4.2Å; L280-F286 HydrophobicContact CB-CE1 3.61Å; L280-F286 HydrophobicContact CB-CE2 4.31Å; L280-F286 HydrophobicContact CB-CG 3.79Å; L280-F286 HydrophobicContact CB-CZ 4.01Å; L280-F286 HydrophobicContact CD1-CD2 4.21Å; L280-F286 HydrophobicContact CD1-CE1 4.46Å; L280-F286 HydrophobicContact CD1-CE2 3.91Å; L280-F286 HydrophobicContact CD1-CZ 4.02Å; L280-F286 WeakPolarHBondContact O-CB 3.33Å; L280-F286 VanDerWaalsContact O-CD1 3.3Å; L280-F286 WeakPolarHBondContact O-CD1 3.14Å; F281-F286 AromaticContact CD1-CD1 4Å; F281-F286 HydrophobicContact CD1-CD1 4Å; F281-F286 AromaticContact CD1-CE1 3.89Å; F281-F286 HydrophobicContact CD1-CE1 3.89Å; F281-F286 HydrophobicContact CE1-CD1 4.27Å; F281-F286 AromaticContact CE1-CE1 3.75Å; F281-F286 HydrophobicContact CE1-CE1 3.75Å; D283-F286 HydrophobicContact CB-CB 4.07Å; D283-F286 PolarHBondContact O-N 3.05Å; D283-F286 PolarHBondContact OD2-N 3.48Å; F286-Q288 VanDerWaalsContact C-N 3.3Å; F286-Q288 PolarHBondContact O-N 2.61Å; F286-F289 WeakPolarHBondContact O-CB 3.15Å; F286-F289 PolarHBondContact O-N 3.15Å; F286-F289 VanDerWaalsContact O-N 3.11Å; F286-S290 PolarHBondContact O-N 3.15Å; F286-S290 PolarHBondContact O-OG 3.36Å; F286-V316 HydrophobicContact CE1-CG1 4.4Å; F286-V316 HydrophobicContact CZ-CB 4.39Å; F286-V316 HydrophobicContact CZ-CG1 3.98Å; F286-V316 HydrophobicContact CZ-CG2 4.25Å; F286-Y330 HydrophobicContact CD2-CD2 4.4Å; F286-Y330 AromaticContact CE2-CD2 3.64Å; F286-Y330 HydrophobicContact CE2-CD2 3.64Å; F286-Y330 AromaticContact CE2-CE2 3.79Å; F286-Y330 HydrophobicContact CE2-CE2 3.79Å; F286-Y330 HydrophobicContact CZ-CD2 4.49Å; F286-F379 HydrophobicContact CB-CD2 4.03Å; F286-F379 HydrophobicContact CB-CE2 4.27Å; F286-F379 HydrophobicContact CB-CG 4.37Å; F286-F379 AromaticContact CD2-CD1 3.93Å; F286-F379 HydrophobicContact CD2-CD1 3.93Å; F286-F379 HydrophobicContact CD2-CD2 4.34Å; F286-F379 AromaticContact CD2-CE1 3.8Å; F286-F379 HydrophobicContact CD2-CE1 3.8Å; F286-F379 HydrophobicContact CD2-CE2 4.2Å; F286-F379 HydrophobicContact CD2-CG 4.22Å; F286-F379 AromaticContact CD2-CZ 3.95Å; F286-F379 HydrophobicContact CD2-CZ 3.95Å; F286-F379 HydrophobicContact CE2-CE1 4.3Å
287A97.5Very high96.4Very high1 Ų114.8 Ų14.81%0.0088%0.08CC..Hα-helixtrans-57.5-41.9174.200000112.1T225 F227 D283 Q291T225-A287 HydrophobicContact CG2-CB 3.9Å; F227-A287 HydrophobicContact CD2-CB 3.71Å; F227-A287 HydrophobicContact CE2-CB 3.64Å; F227-A287 WeakPolarHBondContact CE2-O 3.34Å; D283-A287 WeakPolarHBondContact O-CB 3.49Å; D283-A287 PolarHBondContact O-N 3.09Å; A287-Q291 WeakPolarHBondContact O-CB 3.49Å; A287-Q291 PolarHBondContact O-N 3.31Å
288Q95.2Very high96.1Very high65 Ų6514.7 Ų14.730%0.3048%0.08SC..Hα-helixtrans-66.8-41.1174.6-75.2171.836.200112.4P284 D285 F286 Q291 E292 K383P284-Q288 WeakPolarHBondContact O-CG 3.48Å; P284-Q288 PolarHBondContact O-N 3.25Å; P284-Q288 VanDerWaalsContact O-N 3.17Å; P284-Q288 PolarHBondContact O-NE2 3Å; D285-Q288 PolarHBondContact O-N 3.49Å; F286-Q288 VanDerWaalsContact C-N 3.3Å; F286-Q288 PolarHBondContact O-N 2.61Å; Q288-Q291 PolarHBondContact O-N 3.12Å; Q288-E292 WeakPolarHBondContact O-CB 3.26Å; Q288-E292 PolarHBondContact O-N 3.35Å; Q288-K383 HydrophobicContact CB-CD 3.87Å
289F95.7Very high95.6Very high3 Ų315.3 Ų15.31%0.0139%0.086CC..Hα-helixtrans-59.1-50.9176169.9-104.2000111.4D285 F286 Q291 E292 I293 T315 V316 A382 K383 L386D285-F289 WeakPolarHBondContact O-CB 3.44Å; D285-F289 PolarHBondContact O-N 3.23Å; F286-F289 WeakPolarHBondContact O-CB 3.15Å; F286-F289 PolarHBondContact O-N 3.15Å; F286-F289 VanDerWaalsContact O-N 3.11Å; F289-Q291 PolarHBondContact O-N 2.88Å; F289-E292 WeakPolarHBondContact O-CB 2.93Å; F289-E292 PolarHBondContact O-N 2.86Å; F289-E292 VanDerWaalsContact O-N 3.14Å; F289-I293 HydrophobicContact CD1-CD1 4.47Å; F289-I293 HydrophobicContact CE1-CD1 3.78Å; F289-I293 HydrophobicContact CZ-CD1 3.8Å; F289-I293 HydrophobicContact CZ-CG1 4.43Å; F289-I293 PolarHBondContact O-N 2.96Å; F289-T315 HydrophobicContact CE1-CG2 4.49Å; F289-T315 HydrophobicContact CZ-CG2 3.88Å; F289-T315 WeakPolarHBondContact CZ-OG1 3.32Å; F289-V316 HydrophobicContact CD1-CG2 4.46Å; F289-V316 HydrophobicContact CE1-CG2 3.91Å; F289-A382 HydrophobicContact CD2-CB 4.2Å; F289-A382 HydrophobicContact CE2-CB 4.03Å; F289-K383 HydrophobicContact CB-CB 4.28Å; F289-K383 HydrophobicContact CD2-CB 4.2Å; F289-L386 HydrophobicContact CD2-CD2 4.14Å; F289-L386 HydrophobicContact CE2-CB 4.29Å; F289-L386 HydrophobicContact CE2-CD2 3.82Å
290S97.2Very high95.1Very high1 Ų115.3 Ų15.31%0.0079%0.086CC..Hα-helixtrans-62.9-41.2178.4-55.30000112F245 F286 E292 I293 G294F245-S290 VanDerWaalsContact CB-O 3.32Å; F245-S290 WeakPolarHBondContact CB-O 3.4Å; F286-S290 PolarHBondContact O-N 3.15Å; F286-S290 PolarHBondContact O-OG 3.36Å; S290-E292 VanDerWaalsContact C-N 3.28Å; S290-E292 PolarHBondContact O-N 2.83Å; S290-I293 WeakPolarHBondContact O-CB 3.26Å; S290-I293 PolarHBondContact O-N 3.15Å; S290-G294 PolarHBondContact O-N 3.49Å; S290-G294 VanDerWaalsContact O-N 3.16Å
291Q96Very high94.6Very high18 Ų1817.6 Ų17.68%0.08410%0.101CC..Hα-helixtrans-62.1-36.2175.1-178.9173.834.300112.4F245 A246 R248 A287 Q288 F289 G294 L295F245-Q291 WeakPolarHBondContact O-CA 3.44Å; F245-Q291 WeakPolarHBondContact O-CG 3.36Å; A246-Q291 PolarHBondContact O-NE2 2.91Å; R248-Q291 HydrophobicContact CG-CB 4.39Å; R248-Q291 HydrophobicContact CG-CG 4.31Å; R248-Q291 VanDerWaalsContact CZ-OE1 3.27Å; A287-Q291 WeakPolarHBondContact O-CB 3.49Å; A287-Q291 PolarHBondContact O-N 3.31Å; Q288-Q291 PolarHBondContact O-N 3.12Å; F289-Q291 PolarHBondContact O-N 2.88Å; Q291-G294 PolarHBondContact O-N 3.34Å; Q291-L295 HydrophobicContact CG-CD1 4.22Å; Q291-L295 HydrophobicContact CG-CG 4.4Å; Q291-L295 WeakPolarHBondContact O-CG 3.08Å; Q291-L295 PolarHBondContact O-N 3.17Å
292E93.7Very high94Very high30 Ų3019.1 Ų19.114%0.1411%0.109CC..Hα-helixtrans-63.9-41.5177.1-163.471.2-141.500111.5Q288 F289 S290 G294 L295 C296 L386 R387Q288-E292 WeakPolarHBondContact O-CB 3.26Å; Q288-E292 PolarHBondContact O-N 3.35Å; F289-E292 WeakPolarHBondContact O-CB 2.93Å; F289-E292 PolarHBondContact O-N 2.86Å; F289-E292 VanDerWaalsContact O-N 3.14Å; S290-E292 VanDerWaalsContact C-N 3.28Å; S290-E292 PolarHBondContact O-N 2.83Å; E292-G294 VanDerWaalsContact C-N 3.27Å; E292-G294 PolarHBondContact O-N 2.88Å; E292-L295 PolarHBondContact O-N 3.35Å; E292-C296 PolarHBondContact O-N 3.15Å; E292-C296 PolarHBondContact O-SG 2.78Å; E292-L386 HydrophobicContact CB-CD2 4.09Å; E292-L386 HydrophobicContact CG-CD2 4.17Å; E292-R387 VanDerWaalsContact CD-NE 3.34Å; E292-R387 HydrophobicContact CG-CG 3.71Å; E292-R387 IonicContact OE1-NE 2.87Å; E292-R387 IonicContact OE2-CZ 3.57Å; E292-R387 VanDerWaalsContact OE2-CZ 3.29Å; E292-R387 IonicContact OE2-NE 2.69Å; E292-R387 PolarHBondContact OE2-NE 2.89Å; E292-R387 IonicContact OE2-NH2 2.81Å; E292-R387 PolarHBondContact OE2-NH2 3.09Å
293I95.2Very high93.6Very high0 Ų024.5 Ų24.50%013%0.134CC..Hα-helixtrans-55.8-47171.4-62.7176000109.8L242 F289 S290 C296 S297 L308 Y312 V316 L386L242-I293 HydrophobicContact CD2-CG2 3.82Å; F289-I293 HydrophobicContact CD1-CD1 4.47Å; F289-I293 HydrophobicContact CE1-CD1 3.78Å; F289-I293 HydrophobicContact CZ-CD1 3.8Å; F289-I293 HydrophobicContact CZ-CG1 4.43Å; F289-I293 PolarHBondContact O-N 2.96Å; S290-I293 WeakPolarHBondContact O-CB 3.26Å; S290-I293 PolarHBondContact O-N 3.15Å; I293-C296 PolarHBondContact O-N 3.13Å; I293-S297 PolarHBondContact O-N 2.92Å; I293-S297 VanDerWaalsContact O-N 3.16Å; I293-L308 HydrophobicContact CG2-CD2 4.33Å; I293-Y312 HydrophobicContact CD1-CD2 4.46Å; I293-V316 HydrophobicContact CD1-CG2 4.04Å; I293-L386 HydrophobicContact CB-CD2 4.4Å; I293-L386 HydrophobicContact CD1-CD2 4.44Å; I293-L386 HydrophobicContact CG1-CD2 3.4Å
294G95.7Very high93.3Very high0 Ų024 Ų240%013%0.131CC..Hα-helixtrans-63.7-42179.300000113.6L242 S290 Q291 E292 C296 S297 L298L242-G294 WeakPolarHBondContact O-CA 3.36Å; S290-G294 PolarHBondContact O-N 3.49Å; S290-G294 VanDerWaalsContact O-N 3.16Å; Q291-G294 PolarHBondContact O-N 3.34Å; E292-G294 VanDerWaalsContact C-N 3.27Å; E292-G294 PolarHBondContact O-N 2.88Å; G294-C296 PolarHBondContact O-N 3.1Å; G294-S297 PolarHBondContact O-N 2.94Å; G294-S297 PolarHBondContact O-OG 3.14Å; G294-L298 WeakPolarHBondContact O-CG 3.5Å
295L93.7Very high93.2Very high18 Ų1820.9 Ų20.99%0.09411%0.11CC..Hα-helixtrans-63.4-33175.4-74.3170000112.3A246 Q291 E292 S297 L298 F399A246-L295 HydrophobicContact CB-CD2 4.14Å; A246-L295 HydrophobicContact CB-CG 4.36Å; Q291-L295 HydrophobicContact CG-CD1 4.22Å; Q291-L295 HydrophobicContact CG-CG 4.4Å; Q291-L295 WeakPolarHBondContact O-CG 3.08Å; Q291-L295 PolarHBondContact O-N 3.17Å; E292-L295 PolarHBondContact O-N 3.35Å; L295-S297 VanDerWaalsContact C-N 3.33Å; L295-L298 HydrophobicContact CD2-CD1 4.3Å; L295-F399 HydrophobicContact CD2-CB 4.15Å
296C92.6Very high93.1Very high2 Ų223.8 Ų23.81%0.01412%0.122CC..Hα-helixtrans-72.5-24.8176.6-64.70000113.3E292 I293 G294 A300 L308 A390E292-C296 PolarHBondContact O-N 3.15Å; E292-C296 PolarHBondContact O-SG 2.78Å; I293-C296 PolarHBondContact O-N 3.13Å; G294-C296 PolarHBondContact O-N 3.1Å; C296-A300 WeakPolarHBondContact O-CB 2.96Å; C296-L308 HydrophobicContact CB-CD1 4.04Å; C296-L308 HydrophobicContact CB-CD2 3.85Å; C296-A390 HydrophobicContact CB-CB 4.46Å; C296-A390 WeakPolarHBondContact SG-CB 3.48Å
297S93.8Very high93Very high2 Ų226.4 Ų26.41%0.01413%0.133CC..Hα-helixtrans-78.3-23.4-179.779.70000113.4A243 I293 G294 L295 G299 A300 I305A243-S297 PolarHBondContact N-OG 3.13Å; I293-S297 PolarHBondContact O-N 2.92Å; I293-S297 VanDerWaalsContact O-N 3.16Å; G294-S297 PolarHBondContact O-N 2.94Å; G294-S297 PolarHBondContact O-OG 3.14Å; L295-S297 VanDerWaalsContact C-N 3.33Å; S297-G299 PolarHBondContact O-N 3.16Å; S297-A300 WeakPolarHBondContact O-CB 3.38Å; S297-A300 PolarHBondContact O-N 3.07Å; S297-A300 VanDerWaalsContact O-N 3.16Å; S297-I305 WeakPolarHBondContact O-CD1 3.35Å
298L91.6Very high92.9Very high2 Ų226.4 Ų26.41%0.0113%0.133CC..THydrogen-bonded Turntrans-62.2121.1-177.4-53.4-175.5000110.6F101 A243 A246 G294 L295 A300 F399 V408F101-L298 HydrophobicContact CB-CB 4.04Å; F101-L298 HydrophobicContact CB-CD2 4.12Å; F101-L298 HydrophobicContact CD2-CB 4.16Å; F101-L298 HydrophobicContact CG-CB 4.03Å; A243-L298 HydrophobicContact CB-CD2 3.88Å; A246-L298 HydrophobicContact CB-CD1 3.84Å; A246-L298 HydrophobicContact CB-CD2 3.97Å; A246-L298 HydrophobicContact CB-CG 4.11Å; G294-L298 WeakPolarHBondContact O-CG 3.5Å; L295-L298 HydrophobicContact CD2-CD1 4.3Å; L298-A300 PolarHBondContact O-N 3.18Å; L298-F399 HydrophobicContact CB-CD1 4.42Å; L298-F399 HydrophobicContact CB-CD2 3.96Å; L298-F399 HydrophobicContact CB-CE1 4.37Å; L298-F399 HydrophobicContact CB-CE2 3.92Å; L298-F399 HydrophobicContact CB-CG 4.21Å; L298-F399 HydrophobicContact CB-CZ 4.11Å; L298-F399 HydrophobicContact CD1-CB 4.34Å; L298-F399 HydrophobicContact CD1-CD1 4.37Å; L298-F399 HydrophobicContact CD1-CG 4.19Å; L298-F399 WeakPolarHBondContact O-CE2 3.28Å; L298-F399 WeakPolarHBondContact O-CZ 3.17Å; L298-V408 HydrophobicContact CD1-CB 4.13Å; L298-V408 HydrophobicContact CD1-CG1 3.62Å; L298-V408 HydrophobicContact CD1-CG2 3.54Å
299G87.3Confident93Very high12 Ų1224.1 Ų24.112%0.12413%0.126CC..THydrogen-bonded Turntrans62.99.7-179.400000115.4P99 S297P99-G299 WeakPolarHBondContact CD-O 3.45Å; P99-G299 WeakPolarHBondContact O-CA 3.47Å; S297-G299 PolarHBondContact O-N 3.16Å
300A88.6Confident93.1Very high0 Ų024.9 Ų24.90%013%0.13CC..  trans-71.2142.6179.800000111.1R239 C296 S297 L298 V304 I305R239-A300 PolarHBondContact NH1-O 3.47Å; R239-A300 PolarHBondContact NH2-O 3.03Å; C296-A300 WeakPolarHBondContact O-CB 2.96Å; S297-A300 WeakPolarHBondContact O-CB 3.38Å; S297-A300 PolarHBondContact O-N 3.07Å; S297-A300 VanDerWaalsContact O-N 3.16Å; L298-A300 PolarHBondContact O-N 3.18Å; A300-V304 HydrophobicContact CB-CB 4.01Å; A300-V304 HydrophobicContact CB-CG1 3.77Å; A300-I305 HydrophobicContact CB-CD1 3.96Å; A300-I305 HydrophobicContact CB-CG1 4.32Å
301P87.7Confident93.1Very high49 Ų4924.9 Ų24.932%0.31813%0.13SC..  trans-57156.9170.3-2333.3000112.4E303 V304 I305P301-E303 VanDerWaalsContact C-N 3.29Å; P301-E303 PolarHBondContact O-N 3.33Å; P301-V304 HydrophobicContact CG-CG2 4.41Å; P301-V304 WeakPolarHBondContact O-CB 3.4Å; P301-V304 PolarHBondContact O-N 3.46Å; P301-I305 PolarHBondContact O-N 3.47Å
302D86.7Confident93.2Very high33 Ų3324.8 Ų24.818%0.17613%0.129CC..Hα-helixtrans-57-38.9-178.7-72.4-21.2000112.7Y4 R239 V304 I305 E306Y4-D302 PolarHBondContact OH-OD1 3.41Å; R239-D302 IonicContact CZ-OD1 3.42Å; R239-D302 IonicContact NE-OD1 3.22Å; R239-D302 IonicContact NH2-OD1 2.76Å; R239-D302 PolarHBondContact NH2-OD1 3.3Å; D302-V304 VanDerWaalsContact C-N 3.25Å; D302-V304 PolarHBondContact O-N 3.41Å; D302-I305 WeakPolarHBondContact O-CB 3.37Å; D302-I305 PolarHBondContact O-N 3.46Å; D302-E306 WeakPolarHBondContact O-CG 3.27Å; D302-E306 PolarHBondContact O-N 3.45Å
303E90.1Very high93.4Very high117 Ų11725.5 Ų25.555%0.54713%0.131SC..Hα-helixtrans-58.4-36.6175.1-169.7-160.8145.200112.6P301 K307P301-E303 VanDerWaalsContact C-N 3.29Å; P301-E303 PolarHBondContact O-N 3.33Å; E303-K307 WeakPolarHBondContact O-CG 3.36Å; E303-K307 PolarHBondContact O-N 3.1Å; E303-K307 IonicContact OE1-NZ 3.74Å; E303-K307 PolarHBondContact OE1-NZ 2.96Å
304V92.2Very high93.5Very high14 Ų1425.6 Ų25.69%0.08513%0.131CC..Hα-helixtrans-75.6-35.9177.4175.20000110.6A300 P301 D302 E306 K307 L308 I393A300-V304 HydrophobicContact CB-CB 4.01Å; A300-V304 HydrophobicContact CB-CG1 3.77Å; P301-V304 HydrophobicContact CG-CG2 4.41Å; P301-V304 WeakPolarHBondContact O-CB 3.4Å; P301-V304 PolarHBondContact O-N 3.46Å; D302-V304 VanDerWaalsContact C-N 3.25Å; D302-V304 PolarHBondContact O-N 3.41Å; V304-E306 VanDerWaalsContact C-N 3.32Å; V304-K307 PolarHBondContact O-N 2.98Å; V304-L308 HydrophobicContact CG1-CD1 4Å; V304-L308 HydrophobicContact CG1-CG 4.34Å; V304-L308 WeakPolarHBondContact O-CB 3.49Å; V304-L308 WeakPolarHBondContact O-CG 3.43Å; V304-L308 PolarHBondContact O-N 3.2Å; V304-I393 HydrophobicContact CB-CG2 4.41Å; V304-I393 HydrophobicContact CG1-CD1 3.81Å; V304-I393 HydrophobicContact CG1-CG2 3.96Å; V304-I393 HydrophobicContact CG2-CG2 3.54Å
305I93.3Very high93.6Very high10 Ų1025.6 Ų25.65%0.05113%0.131CC..Hα-helixtrans-61.6-41.7173.3-65.9-61.1000111R239 S297 A300 P301 D302 L308 A309R239-I305 HydrophobicContact CB-CD1 4.41Å; R239-I305 HydrophobicContact CB-CG1 4.43Å; R239-I305 HydrophobicContact CB-CG2 4.28Å; R239-I305 HydrophobicContact CG-CD1 4.46Å; S297-I305 WeakPolarHBondContact O-CD1 3.35Å; A300-I305 HydrophobicContact CB-CD1 3.96Å; A300-I305 HydrophobicContact CB-CG1 4.32Å; P301-I305 PolarHBondContact O-N 3.47Å; D302-I305 WeakPolarHBondContact O-CB 3.37Å; D302-I305 PolarHBondContact O-N 3.46Å; I305-L308 HydrophobicContact CD1-CD1 4.45Å; I305-L308 PolarHBondContact O-N 3.3Å; I305-A309 WeakPolarHBondContact O-CB 3.27Å; I305-A309 PolarHBondContact O-N 2.91Å
306E93.4Very high93.8Very high120 Ų12024.8 Ų24.856%0.56113%0.127SC*.Hα-helixtrans-59.3-49.6175.2-71.5174.3-179.200110.9D302 V304 L308 A309 T310D302-E306 WeakPolarHBondContact O-CG 3.27Å; D302-E306 PolarHBondContact O-N 3.45Å; V304-E306 VanDerWaalsContact C-N 3.32Å; E306-L308 PolarHBondContact O-N 3.38Å; E306-A309 WeakPolarHBondContact O-CB 3.43Å; E306-A309 PolarHBondContact O-N 2.88Å; E306-A309 VanDerWaalsContact O-N 3.15Å; E306-T310 PolarHBondContact O-N 3.18Å; E306-T310 PolarHBondContact O-OG1 2.75Å; E306-T310 VanDerWaalsContact O-OG1 3.12Å
307K96.1Very high94Very high58 Ų5825.7 Ų25.725%0.25213%0.131SC..Hα-helixtrans-57.3-44174.7-77171.9174.5167.20113E303 V304 T310 L311 A360 W389E303-K307 WeakPolarHBondContact O-CG 3.36Å; E303-K307 PolarHBondContact O-N 3.1Å; E303-K307 IonicContact OE1-NZ 3.74Å; E303-K307 PolarHBondContact OE1-NZ 2.96Å; V304-K307 PolarHBondContact O-N 2.98Å; K307-T310 PolarHBondContact O-N 2.97Å; K307-L311 WeakPolarHBondContact O-CG 3.15Å; K307-L311 PolarHBondContact O-N 2.78Å; K307-A360 HydrophobicContact CB-CB 3.92Å; K307-A360 HydrophobicContact CG-CB 4.09Å; K307-W389 HydrophobicContact CB-CH2 3.97Å; K307-W389 HydrophobicContact CB-CZ2 3.98Å; K307-W389 HydrophobicContact CD-CZ2 4.29Å
308L96.3Very high94.2Very high0 Ų026.5 Ų26.50%013%0.134CC..Hα-helixtrans-66-37176.5-76.1168.5000112.3L242 I293 C296 V304 I305 E306 L311 Y312 W389L242-L308 HydrophobicContact CD1-CB 3.88Å; I293-L308 HydrophobicContact CG2-CD2 4.33Å; C296-L308 HydrophobicContact CB-CD1 4.04Å; C296-L308 HydrophobicContact CB-CD2 3.85Å; V304-L308 HydrophobicContact CG1-CD1 4Å; V304-L308 HydrophobicContact CG1-CG 4.34Å; V304-L308 WeakPolarHBondContact O-CB 3.49Å; V304-L308 WeakPolarHBondContact O-CG 3.43Å; V304-L308 PolarHBondContact O-N 3.2Å; I305-L308 HydrophobicContact CD1-CD1 4.45Å; I305-L308 PolarHBondContact O-N 3.3Å; E306-L308 PolarHBondContact O-N 3.38Å; L308-L311 HydrophobicContact CD2-CD1 4.38Å; L308-L311 PolarHBondContact O-N 3.06Å; L308-Y312 WeakPolarHBondContact O-CB 3.03Å; L308-Y312 PolarHBondContact O-N 3.13Å; L308-W389 HydrophobicContact CD2-CH2 4.19Å; L308-W389 HydrophobicContact CD2-CZ3 3.66Å; L308-W389 HydrophobicContact CG-CH2 4.27Å; L308-W389 HydrophobicContact CG-CZ3 4.21Å
309A96Very high94.5Very high18 Ų1826.4 Ų26.415%0.14913%0.134CC..Hα-helixtrans-65.7-40.4175.100000111.1I305 E306 Y312 W313I305-A309 WeakPolarHBondContact O-CB 3.27Å; I305-A309 PolarHBondContact O-N 2.91Å; E306-A309 WeakPolarHBondContact O-CB 3.43Å; E306-A309 PolarHBondContact O-N 2.88Å; E306-A309 VanDerWaalsContact O-N 3.15Å; A309-Y312 WeakPolarHBondContact O-CB 3.23Å; A309-Y312 PolarHBondContact O-N 2.91Å; A309-W313 WeakPolarHBondContact O-CB 3.42Å; A309-W313 PolarHBondContact O-N 2.72Å
310T97.4Very high95.1Very high18 Ų1825.9 Ų25.911%0.1113%0.128CC..Hα-helixtrans-64.6-41.5173-53.60000112E306 K307 W313 F314 T359 T362 Y364E306-T310 PolarHBondContact O-N 3.18Å; E306-T310 PolarHBondContact O-OG1 2.75Å; E306-T310 VanDerWaalsContact O-OG1 3.12Å; K307-T310 PolarHBondContact O-N 2.97Å; T310-W313 WeakPolarHBondContact O-CB 3.33Å; T310-W313 PolarHBondContact O-N 3.12Å; T310-F314 HydrophobicContact CG2-CD2 3.81Å; T310-F314 HydrophobicContact CG2-CE2 3.83Å; T310-F314 WeakPolarHBondContact O-CD2 3.41Å; T310-F314 PolarHBondContact O-N 3.32Å; T310-T359 WeakPolarHBondContact CG2-O 3.41Å; T310-T362 WeakPolarHBondContact CG2-O 3.42Å; T310-Y364 HydrophobicContact CG2-CD1 4.26Å; T310-Y364 HydrophobicContact CG2-CE1 3.93Å
311L97.6Very high95.5Very high1 Ų126 Ų261%0.00513%0.129CC..Hα-helixtrans-61-45.7173.4-74.3167.4000111.6K307 L308 W313 F314 T315 F354 P356 T359 A360 L386 W389K307-L311 WeakPolarHBondContact O-CG 3.15Å; K307-L311 PolarHBondContact O-N 2.78Å; L308-L311 HydrophobicContact CD2-CD1 4.38Å; L308-L311 PolarHBondContact O-N 3.06Å; L311-W313 VanDerWaalsContact C-N 3.33Å; L311-W313 PolarHBondContact O-N 2.89Å; L311-F314 PolarHBondContact O-N 2.95Å; L311-T315 WeakPolarHBondContact O-CB 3.47Å; L311-T315 WeakPolarHBondContact O-CG2 3.42Å; L311-T315 PolarHBondContact O-N 3.13Å; L311-T315 VanDerWaalsContact O-N 3.09Å; L311-T315 PolarHBondContact O-OG1 3.13Å; L311-F354 HydrophobicContact CD2-CE2 3.91Å; L311-F354 HydrophobicContact CD2-CZ 4.12Å; L311-P356 HydrophobicContact CD2-CB 3.88Å; L311-T359 HydrophobicContact CD2-CG2 3.93Å; L311-A360 HydrophobicContact CD1-CB 4.12Å; L311-A360 HydrophobicContact CD2-CB 4.2Å; L311-A360 HydrophobicContact CG-CB 3.9Å; L311-L386 HydrophobicContact CD1-CD1 3.9Å; L311-W389 HydrophobicContact CD1-CD2 4.18Å; L311-W389 HydrophobicContact CD1-CE3 3.74Å; L311-W389 HydrophobicContact CD1-CH2 3.53Å; L311-W389 HydrophobicContact CD1-CZ2 4Å; L311-W389 HydrophobicContact CD1-CZ3 3.39Å
312Y97.6Very high95.8Very high17 Ų1727.3 Ų27.37%0.06713%0.131CC..Hα-helixtrans-58.7-44.8175.5176-87.6000111.2F241 L242 F245 H277 I293 L308 A309 F314 T315 V316 E317F241-Y312 AromaticContact CE1-CE1 3.99Å; F241-Y312 HydrophobicContact CE1-CE1 3.99Å; F241-Y312 AromaticContact CE1-CE2 3.98Å; F241-Y312 HydrophobicContact CE1-CE2 3.98Å; F241-Y312 AromaticContact CE1-CZ 3.58Å; L242-Y312 HydrophobicContact CD2-CD2 3.89Å; L242-Y312 HydrophobicContact CD2-CG 4.06Å; F245-Y312 HydrophobicContact CD2-CE2 4.44Å; F245-Y312 AromaticContact CE2-CD2 3.98Å; F245-Y312 HydrophobicContact CE2-CD2 3.98Å; F245-Y312 AromaticContact CE2-CE2 3.4Å; F245-Y312 HydrophobicContact CE2-CE2 3.4Å; F245-Y312 AromaticContact CZ-CE2 3.59Å; F245-Y312 HydrophobicContact CZ-CE2 3.59Å; H277-Y312 PolarHBondContact CE1-OH 2.86Å; I293-Y312 HydrophobicContact CD1-CD2 4.46Å; L308-Y312 WeakPolarHBondContact O-CB 3.03Å; L308-Y312 PolarHBondContact O-N 3.13Å; A309-Y312 WeakPolarHBondContact O-CB 3.23Å; A309-Y312 PolarHBondContact O-N 2.91Å; Y312-F314 PolarHBondContact O-N 3.09Å; Y312-T315 CarbonylContact O-C 3.59Å; Y312-T315 PolarHBondContact O-N 3.35Å; Y312-V316 HydrophobicContact CD2-CB 3.71Å; Y312-V316 HydrophobicContact CD2-CG1 4.21Å; Y312-V316 HydrophobicContact CD2-CG2 3.67Å; Y312-V316 HydrophobicContact CE1-CB 4.5Å; Y312-V316 HydrophobicContact CE2-CB 3.5Å; Y312-V316 VanDerWaalsContact CE2-CB 3.5Å; Y312-V316 HydrophobicContact CE2-CG1 3.48Å; Y312-V316 VanDerWaalsContact CE2-CG1 3.48Å; Y312-V316 HydrophobicContact CE2-CG2 3.78Å; Y312-V316 HydrophobicContact CG-CB 4.27Å; Y312-V316 HydrophobicContact CG-CG2 4.46Å; Y312-V316 PolarHBondContact O-N 2.93Å; Y312-E317 HydrophobicContact CD1-CG 3.86Å; Y312-E317 HydrophobicContact CE1-CG 3.38Å; Y312-E317 WeakPolarHBondContact CE1-OE1 3.45Å; Y312-E317 VanDerWaalsContact CZ-OE1 3.27Å; Y312-E317 PolarHBondContact O-N 2.91Å; Y312-E317 VanDerWaalsContact O-N 3.17Å; Y312-E317 PolarHBondContact OH-OE1 3.37Å
313W97.5Very high96.2Very high44 Ų4427.3 Ų27.317%0.16713%0.13CC..Iπ-helixtrans-56.8-52.3176.5-175.8-92.6000112.3A309 T310 L311 T315 E317 F318 Y364 P365 I366A309-W313 WeakPolarHBondContact O-CB 3.42Å; A309-W313 PolarHBondContact O-N 2.72Å; T310-W313 WeakPolarHBondContact O-CB 3.33Å; T310-W313 PolarHBondContact O-N 3.12Å; L311-W313 VanDerWaalsContact C-N 3.33Å; L311-W313 PolarHBondContact O-N 2.89Å; W313-T315 PolarHBondContact O-N 2.94Å; W313-E317 HydrophobicContact CE3-CG 4.44Å; W313-E317 WeakPolarHBondContact O-CB 3.42Å; W313-F318 AromaticContact CD2-CD2 3.85Å; W313-F318 HydrophobicContact CD2-CD2 3.85Å; W313-F318 AromaticContact CD2-CE2 3.95Å; W313-F318 HydrophobicContact CD2-CE2 3.95Å; W313-F318 AromaticContact CE2-CD2 3.47Å; W313-F318 VanDerWaalsContact CE2-CD2 3.47Å; W313-F318 AromaticContact CE2-CE2 3.47Å; W313-F318 VanDerWaalsContact CE2-CE2 3.47Å; W313-F318 HydrophobicContact CE3-CD2 4.41Å; W313-F318 HydrophobicContact CE3-CE2 4.14Å; W313-F318 HydrophobicContact CG-CD2 4.24Å; W313-F318 HydrophobicContact CH2-CD2 4.36Å; W313-F318 AromaticContact CH2-CE2 3.52Å; W313-F318 HydrophobicContact CH2-CE2 3.52Å; W313-F318 HydrophobicContact CH2-CZ 4.22Å; W313-F318 AromaticContact CZ2-CD2 3.78Å; W313-F318 HydrophobicContact CZ2-CD2 3.78Å; W313-F318 AromaticContact CZ2-CE2 3.26Å; W313-F318 HydrophobicContact CZ2-CE2 3.26Å; W313-F318 HydrophobicContact CZ2-CZ 4.01Å; W313-F318 AromaticContact CZ3-CE2 3.95Å; W313-F318 HydrophobicContact CZ3-CE2 3.95Å; W313-F318 AromaticContact NE1-CD2 3.62Å; W313-F318 PolarHBondContact O-N 2.89Å; W313-Y364 HydrophobicContact CB-CE1 4.25Å; W313-Y364 HydrophobicContact CB-CE2 4.48Å; W313-Y364 AromaticContact CD1-CD1 3.8Å; W313-Y364 AromaticContact CD1-CD2 3.67Å; W313-Y364 AromaticContact CD1-CE2 4Å; W313-Y364 AromaticContact CD1-CG 3.54Å; W313-Y364 AromaticContact CD2-CD2 3.67Å; W313-Y364 HydrophobicContact CD2-CD2 3.67Å; W313-Y364 AromaticContact CD2-CE2 3.45Å; W313-Y364 HydrophobicContact CD2-CE2 3.45Å; W313-Y364 VanDerWaalsContact CD2-CE2 3.45Å; W313-Y364 HydrophobicContact CD2-CG 4.34Å; W313-Y364 AromaticContact CD2-CZ 3.98Å; W313-Y364 AromaticContact CE2-CD2 3.26Å; W313-Y364 AromaticContact CE2-CE2 3.56Å; W313-Y364 AromaticContact CE2-CG 3.92Å; W313-Y364 HydrophobicContact CE3-CD2 4.4Å; W313-Y364 AromaticContact CE3-CE2 3.84Å; W313-Y364 HydrophobicContact CE3-CE2 3.84Å; W313-Y364 HydrophobicContact CG-CD1 4.21Å; W313-Y364 AromaticContact CG-CD2 3.91Å; W313-Y364 HydrophobicContact CG-CD2 3.91Å; W313-Y364 HydrophobicContact CG-CE1 4.09Å; W313-Y364 AromaticContact CG-CE2 3.76Å; W313-Y364 HydrophobicContact CG-CE2 3.76Å; W313-Y364 HydrophobicContact CG-CG 4.12Å; W313-Y364 AromaticContact CG-CZ 3.85Å; W313-Y364 HydrophobicContact CH2-CD2 4.41Å; W313-Y364 HydrophobicContact CH2-CE2 4.35Å; W313-Y364 AromaticContact CZ2-CD2 3.68Å; W313-Y364 HydrophobicContact CZ2-CD2 3.68Å; W313-Y364 HydrophobicContact CZ2-CE2 4.01Å; W313-Y364 HydrophobicContact CZ3-CE2 4.27Å; W313-Y364 AromaticContact NE1-CD2 3.27Å; W313-Y364 VanDerWaalsContact NE1-CD2 3.27Å; W313-Y364 AromaticContact NE1-CE2 3.9Å; W313-Y364 AromaticContact NE1-CG 3.42Å; W313-P365 WeakPolarHBondContact CZ2-O 3.46Å; W313-I366 HydrophobicContact CH2-CB 4.09Å; W313-I366 HydrophobicContact CH2-CG2 3.76Å; W313-I366 HydrophobicContact CZ2-CG2 4.12Å; W313-I366 HydrophobicContact CZ3-CG2 4.32Å
314F98.2Very high96.3Very high2 Ų229.6 Ų29.61%0.00915%0.146CC..Iπ-helixtrans-79.8-0.7-177.5-75.3-62.3000114.9T310 L311 Y312 G319 T359 T362 Y364 F374T310-F314 HydrophobicContact CG2-CD2 3.81Å; T310-F314 HydrophobicContact CG2-CE2 3.83Å; T310-F314 WeakPolarHBondContact O-CD2 3.41Å; T310-F314 PolarHBondContact O-N 3.32Å; L311-F314 PolarHBondContact O-N 2.95Å; Y312-F314 PolarHBondContact O-N 3.09Å; F314-G319 WeakPolarHBondContact O-CA 3.29Å; F314-T359 HydrophobicContact CB-CG2 3.45Å; F314-T359 VanDerWaalsContact CB-CG2 3.45Å; F314-T359 HydrophobicContact CD2-CG2 3.76Å; F314-T359 HydrophobicContact CG-CG2 3.94Å; F314-T362 HydrophobicContact CE2-CG2 3.74Å; F314-T362 WeakPolarHBondContact CE2-O 3.28Å; F314-T362 HydrophobicContact CZ-CG2 3.63Å; F314-Y364 AromaticContact CE2-CD1 3.75Å; F314-Y364 HydrophobicContact CE2-CD1 3.75Å; F314-Y364 HydrophobicContact CE2-CG 4.43Å; F314-Y364 HydrophobicContact CZ-CD1 4.03Å; F314-Y364 HydrophobicContact CZ-CG 4.27Å; F314-F374 HydrophobicContact CB-CD2 3.7Å; F314-F374 HydrophobicContact CB-CE2 4.36Å; F314-F374 AromaticContact CD1-CD2 3.63Å; F314-F374 HydrophobicContact CD1-CD2 3.63Å; F314-F374 AromaticContact CD1-CE2 3.96Å; F314-F374 HydrophobicContact CD1-CE2 3.96Å; F314-F374 HydrophobicContact CD2-CD2 4.15Å; F314-F374 AromaticContact CD2-CE2 3.97Å; F314-F374 HydrophobicContact CD2-CE2 3.97Å; F314-F374 HydrophobicContact CE1-CD2 4.24Å; F314-F374 HydrophobicContact CE1-CE2 4.17Å; F314-F374 HydrophobicContact CE2-CE2 4.18Å; F314-F374 AromaticContact CG-CD2 3.57Å; F314-F374 HydrophobicContact CG-CD2 3.57Å; F314-F374 AromaticContact CG-CE2 3.84Å; F314-F374 HydrophobicContact CG-CE2 3.84Å; F314-F374 HydrophobicContact CZ-CE2 4.25Å
315T98Very high96.2Very high0 Ų032 Ų320%017%0.174CC..Iπ-helixtrans-119.7-77.617758.50000111.3F289 L311 Y312 W313 E317 G319 Y330 F354F289-T315 HydrophobicContact CE1-CG2 4.49Å; F289-T315 HydrophobicContact CZ-CG2 3.88Å; F289-T315 WeakPolarHBondContact CZ-OG1 3.32Å; L311-T315 WeakPolarHBondContact O-CB 3.47Å; L311-T315 WeakPolarHBondContact O-CG2 3.42Å; L311-T315 PolarHBondContact O-N 3.13Å; L311-T315 VanDerWaalsContact O-N 3.09Å; L311-T315 PolarHBondContact O-OG1 3.13Å; Y312-T315 CarbonylContact O-C 3.59Å; Y312-T315 PolarHBondContact O-N 3.35Å; W313-T315 PolarHBondContact O-N 2.94Å; T315-E317 VanDerWaalsContact C-N 3.31Å; T315-E317 PolarHBondContact O-N 3.3Å; T315-G319 WeakPolarHBondContact O-CA 3.32Å; T315-G319 PolarHBondContact O-N 2.82Å; T315-Y330 VanDerWaalsContact CA-OH 3.32Å; T315-Y330 WeakPolarHBondContact CA-OH 3.36Å; T315-Y330 WeakPolarHBondContact CB-OH 3.35Å; T315-Y330 WeakPolarHBondContact O-CE2 3.47Å; T315-F354 HydrophobicContact CG2-CD2 3.85Å; T315-F354 HydrophobicContact CG2-CE2 3.37Å; T315-F354 HydrophobicContact CG2-CZ 3.76Å
316V97.9Very high96.3Very high1 Ų137.2 Ų37.21%0.00620%0.198CC..Iπ-helixtrans-62.8-36-176-174.30000112F286 F289 I293 Y312 G331 A332F286-V316 HydrophobicContact CE1-CG1 4.4Å; F286-V316 HydrophobicContact CZ-CB 4.39Å; F286-V316 HydrophobicContact CZ-CG1 3.98Å; F286-V316 HydrophobicContact CZ-CG2 4.25Å; F289-V316 HydrophobicContact CD1-CG2 4.46Å; F289-V316 HydrophobicContact CE1-CG2 3.91Å; I293-V316 HydrophobicContact CD1-CG2 4.04Å; Y312-V316 HydrophobicContact CD2-CB 3.71Å; Y312-V316 HydrophobicContact CD2-CG1 4.21Å; Y312-V316 HydrophobicContact CD2-CG2 3.67Å; Y312-V316 HydrophobicContact CE1-CB 4.5Å; Y312-V316 HydrophobicContact CE2-CB 3.5Å; Y312-V316 VanDerWaalsContact CE2-CB 3.5Å; Y312-V316 HydrophobicContact CE2-CG1 3.48Å; Y312-V316 VanDerWaalsContact CE2-CG1 3.48Å; Y312-V316 HydrophobicContact CE2-CG2 3.78Å; Y312-V316 HydrophobicContact CG-CB 4.27Å; Y312-V316 HydrophobicContact CG-CG2 4.46Å; Y312-V316 PolarHBondContact O-N 2.93Å; V316-G331 WeakPolarHBondContact O-CA 3.41Å; V316-A332 PolarHBondContact O-N 3.09Å
317E97.4Very high96.4Very high22 Ų2233.7 Ų33.710%0.10318%0.179CC..Iπ-helixtrans-88.5-48.9-178.8-64.2-63.9158.800113.9H272 H277 Y312 W313 T315 G331 A332 G333H272-E317 IonicContact CE1-OE2 3.41Å; H272-E317 PolarHBondContact CE1-OE2 3.18Å; H272-E317 IonicContact NE2-OE2 3.66Å; H277-E317 IonicContact CE1-OE1 3.29Å; H277-E317 PolarHBondContact CE1-OE1 3.41Å; H277-E317 IonicContact CE1-OE2 3.56Å; H277-E317 IonicContact NE2-OE1 3.82Å; H277-E317 PolarHBondContact NE2-OE1 3.46Å; H277-E317 VanDerWaalsContact NE2-OE1 3.15Å; H277-E317 IonicContact NE2-OE2 2.79Å; Y312-E317 HydrophobicContact CD1-CG 3.86Å; Y312-E317 HydrophobicContact CE1-CG 3.38Å; Y312-E317 WeakPolarHBondContact CE1-OE1 3.45Å; Y312-E317 VanDerWaalsContact CZ-OE1 3.27Å; Y312-E317 PolarHBondContact O-N 2.91Å; Y312-E317 VanDerWaalsContact O-N 3.17Å; Y312-E317 PolarHBondContact OH-OE1 3.37Å; W313-E317 HydrophobicContact CE3-CG 4.44Å; W313-E317 WeakPolarHBondContact O-CB 3.42Å; T315-E317 VanDerWaalsContact C-N 3.31Å; T315-E317 PolarHBondContact O-N 3.3Å; E317-G331 VanDerWaalsContact C-CA 3.47Å; E317-G331 CarbonylContact O-C 3Å; E317-G331 WeakPolarHBondContact O-CA 3.47Å; E317-A332 PolarHBondContact O-N 3.44Å; E317-A332 VanDerWaalsContact O-N 3.08Å; E317-G333 WeakPolarHBondContact O-CA 3.23Å; E317-G333 PolarHBondContact O-N 3.08Å
318F98Very high96.5Very high19 Ų1932.3 Ų32.38%0.08317%0.173CC..THydrogen-bonded Turntrans-127.125.3-172.3-66.6-83.5000113.4W313 L334 E340 Q370 Y373W313-F318 AromaticContact CD2-CD2 3.85Å; W313-F318 HydrophobicContact CD2-CD2 3.85Å; W313-F318 AromaticContact CD2-CE2 3.95Å; W313-F318 HydrophobicContact CD2-CE2 3.95Å; W313-F318 AromaticContact CE2-CD2 3.47Å; W313-F318 VanDerWaalsContact CE2-CD2 3.47Å; W313-F318 AromaticContact CE2-CE2 3.47Å; W313-F318 VanDerWaalsContact CE2-CE2 3.47Å; W313-F318 HydrophobicContact CE3-CD2 4.41Å; W313-F318 HydrophobicContact CE3-CE2 4.14Å; W313-F318 HydrophobicContact CG-CD2 4.24Å; W313-F318 HydrophobicContact CH2-CD2 4.36Å; W313-F318 AromaticContact CH2-CE2 3.52Å; W313-F318 HydrophobicContact CH2-CE2 3.52Å; W313-F318 HydrophobicContact CH2-CZ 4.22Å; W313-F318 AromaticContact CZ2-CD2 3.78Å; W313-F318 HydrophobicContact CZ2-CD2 3.78Å; W313-F318 AromaticContact CZ2-CE2 3.26Å; W313-F318 HydrophobicContact CZ2-CE2 3.26Å; W313-F318 HydrophobicContact CZ2-CZ 4.01Å; W313-F318 AromaticContact CZ3-CE2 3.95Å; W313-F318 HydrophobicContact CZ3-CE2 3.95Å; W313-F318 AromaticContact NE1-CD2 3.62Å; W313-F318 PolarHBondContact O-N 2.89Å; F318-L334 HydrophobicContact CD1-CD2 3.83Å; F318-L334 HydrophobicContact CD1-CG 4.12Å; F318-L334 HydrophobicContact CE1-CD2 4.45Å; F318-E340 WeakPolarHBondContact CE1-OE2 3.32Å; F318-Q370 HydrophobicContact CB-CG 4.08Å; F318-Q370 HydrophobicContact CD1-CG 3.6Å; F318-Q370 HydrophobicContact CD2-CG 4.3Å; F318-Q370 HydrophobicContact CE1-CG 4.1Å; F318-Q370 HydrophobicContact CG-CG 3.72Å; F318-Y373 HydrophobicContact CB-CD1 4.25Å; F318-Y373 HydrophobicContact CB-CE1 4.18Å; F318-Y373 HydrophobicContact CD1-CE1 4.3Å; F318-Y373 VanDerWaalsContact O-CD1 3.25Å; F318-Y373 WeakPolarHBondContact O-CD1 3.43Å
319G97.8Very high96.6Very high0 Ų032.3 Ų32.30%017%0.173CC..  trans-73.1144.6-179.700000114.6F314 T315 Y330 G331F314-G319 WeakPolarHBondContact O-CA 3.29Å; T315-G319 WeakPolarHBondContact O-CA 3.32Å; T315-G319 PolarHBondContact O-N 2.82Å; G319-Y330 VanDerWaalsContact C-CD1 3.42Å; G319-Y330 VanDerWaalsContact CA-CZ 3.45Å; G319-Y330 WeakPolarHBondContact O-CD1 3.25Å; G319-Y330 PolarHBondContact O-N 3.08Å; G319-G331 PolarHBondContact O-N 3.08Å
320V98.3Very high96.7Very high0 Ų031.6 Ų31.60%017%0.167CC..EExtended strand (participates in β ladder)trans-122.7148.4169.8-62.10000110.4R327 K328 Y330 L334 V351 Y373 F374 L375 A376V320-R327 HydrophobicContact CB-CG 3.88Å; V320-R327 HydrophobicContact CG1-CG 4.37Å; V320-R327 HydrophobicContact CG2-CG 4.13Å; V320-K328 CarbonylContact C-O 3.58Å; V320-K328 VanDerWaalsContact CA-O 3.26Å; V320-K328 WeakPolarHBondContact CA-O 3.49Å; V320-K328 WeakPolarHBondContact CB-O 3.43Å; V320-Y330 VanDerWaalsContact C-CE1 3.43Å; V320-Y330 VanDerWaalsContact N-CE1 3.31Å; V320-Y330 WeakPolarHBondContact O-CE1 3.46Å; V320-L334 HydrophobicContact CG1-CD1 3.83Å; V320-V351 HydrophobicContact CG2-CG1 4.43Å; V320-Y373 HydrophobicContact CG1-CG 4.4Å; V320-F374 WeakPolarHBondContact CG2-O 3.37Å; V320-F374 PolarHBondContact N-O 3.16Å; V320-L375 HydrophobicContact CG2-CB 4.41Å; V320-L375 HydrophobicContact CG2-CD1 4Å; V320-L375 CarbonylContact O-C 3.57Å; V320-L375 WeakPolarHBondContact O-CA 3.41Å; V320-A376 PolarHBondContact O-N 2.89Å
321C97.6Very high96.8Very high4 Ų430.7 Ų30.73%0.02716%0.161CC..EExtended strand (participates in β ladder)trans-126.3159.118067.90000112.3C190 R327 K328 Y330 L375 A376C190-C321 VanDerWaalsContact CB-SG 3.55Å; C321-R327 CarbonylContact O-C 3.58Å; C321-R327 WeakPolarHBondContact O-CA 3.48Å; C321-K328 PolarHBondContact N-O 2.58Å; C321-K328 PolarHBondContact O-N 3.45Å; C321-Y330 HydrophobicContact CB-CD1 3.83Å; C321-Y330 HydrophobicContact CB-CE1 4.18Å; C321-L375 VanDerWaalsContact C-CD1 3.49Å; C321-A376 VanDerWaalsContact CA-O 3.25Å; C321-A376 WeakPolarHBondContact CA-O 3.49Å; C321-A376 WeakPolarHBondContact CB-O 3.18Å
322Q94.3Very high96.8Very high76 Ų7630.8 Ų30.836%0.35516%0.162SC..EExtended strand (participates in β ladder)trans-96.3121.4177.4-16870.712.100110.1G325 L375 A376Q322-G325 VanDerWaalsContact NE2-CA 3.3Å; Q322-G325 PolarHBondContact NE2-O 2.96Å; Q322-G325 VanDerWaalsContact NE2-O 3.11Å; Q322-L375 HydrophobicContact CB-CD1 4.13Å; Q322-L375 HydrophobicContact CB-CD2 4.17Å; Q322-L375 HydrophobicContact CB-CG 4.28Å; Q322-A376 PolarHBondContact N-O 3.08Å; Q322-A376 VanDerWaalsContact N-O 3.16Å
323Q94.5Very high96.7Very high32 Ų3230.3 Ų30.315%0.1516%0.163CC..EExtended strand (participates in β ladder)trans-136.3121.9177.1-64-171.8-27.300110.2E192 G325 Q326 K328E192-Q323 PolarHBondContact OE2-NE2 3.16Å; Q323-G325 PolarHBondContact O-N 3.5Å; Q323-Q326 PolarHBondContact N-O 3.5Å; Q323-Q326 PolarHBondContact O-N 2.68Å; Q323-Q326 VanDerWaalsContact O-O 3.1Å; Q323-K328 HydrophobicContact CB-CG 4.24Å
324N92.1Very high96.6Very high165 Ų16528.2 Ų28.288%0.88216%0.155SC*.THydrogen-bonded Turntrans51.639.9179-56.2-32.9000113.6Q326N324-Q326 PolarHBondContact O-N 2.92Å
325G91.6Very high96.6Very high65 Ų6528.1 Ų28.167%0.6715%0.154SC*.THydrogen-bonded Turntrans78.2-0.7-178.400000115Q322 Q323Q322-G325 VanDerWaalsContact NE2-CA 3.3Å; Q322-G325 PolarHBondContact NE2-O 2.96Å; Q322-G325 VanDerWaalsContact NE2-O 3.11Å; Q323-G325 PolarHBondContact O-N 3.5Å
326Q94.4Very high96.5Very high119 Ų11928.6 Ų28.656%0.55616%0.157SC*.EExtended strand (participates in β ladder)trans-112.3145.6178.6-61.5-174.3-27.900111.5Q323 N324Q323-Q326 PolarHBondContact N-O 3.5Å; Q323-Q326 PolarHBondContact O-N 2.68Å; Q323-Q326 VanDerWaalsContact O-O 3.1Å; N324-Q326 PolarHBondContact O-N 2.92Å
327R96.4Very high96.2Very high47 Ų4729.9 Ų29.918%0.17717%0.166CC..EExtended strand (participates in β ladder)trans-77.1136.9169.8-178.8178.647.3-175.7-13.9109.8V320 C321 C344 L345 T346 L375V320-R327 HydrophobicContact CB-CG 3.88Å; V320-R327 HydrophobicContact CG1-CG 4.37Å; V320-R327 HydrophobicContact CG2-CG 4.13Å; C321-R327 CarbonylContact O-C 3.58Å; C321-R327 WeakPolarHBondContact O-CA 3.48Å; R327-C344 PolarHBondContact NE-O 3.32Å; R327-C344 VanDerWaalsContact NE-O 3.13Å; R327-C344 PolarHBondContact NH1-O 3.03Å; R327-L345 HydrophobicContact CB-CD2 4.27Å; R327-L345 HydrophobicContact CG-CD2 3.81Å; R327-L345 PolarHBondContact NH2-O 3.23Å; R327-T346 PolarHBondContact NH2-O 2.93Å; R327-L375 HydrophobicContact CG-CD1 4.31Å
328K98.2Very high95.9Very high29 Ų2931.4 Ų31.413%0.12617%0.173CC..EExtended strand (participates in β ladder)trans-131.8149.9175.4-62.5-67.1179.51660110.3T187 H188 C190 V320 C321 Q323T187-K328 PolarHBondContact O-NZ 2.86Å; H188-K328 WeakPolarHBondContact O-CA 3.32Å; C190-K328 HydrophobicContact CB-CB 4.17Å; V320-K328 CarbonylContact C-O 3.58Å; V320-K328 VanDerWaalsContact CA-O 3.26Å; V320-K328 WeakPolarHBondContact CA-O 3.49Å; V320-K328 WeakPolarHBondContact CB-O 3.43Å; C321-K328 PolarHBondContact N-O 2.58Å; C321-K328 PolarHBondContact O-N 3.45Å; Q323-K328 HydrophobicContact CB-CG 4.24Å
329A98.4Very high95.6Very high0 Ų031 Ų310%017%0.174CC..EExtended strand (participates in β ladder)trans-85139.4176.300000111.2H188 A189 C190 L334 L335 L341H188-A329 PolarHBondContact O-N 2.93Å; A189-A329 CarbonylContact C-O 3.59Å; A189-A329 WeakPolarHBondContact CA-O 3.46Å; C190-A329 PolarHBondContact N-O 3.01Å; A329-L334 HydrophobicContact CB-CB 3.98Å; A329-L334 HydrophobicContact CB-CD1 3.89Å; A329-L335 HydrophobicContact CB-CD2 4.5Å; A329-L341 HydrophobicContact CB-CD1 3.5Å
330Y98.4Very high95.5Very high2 Ų231.7 Ų31.71%0.00818%0.177CC..  trans-132-16168.277.3-98.2000112.4L280 F286 T315 G319 V320 C321 A332 L335 A376 F379L280-Y330 HydrophobicContact CD1-CD2 4.15Å; L280-Y330 HydrophobicContact CD1-CG 4.45Å; L280-Y330 WeakPolarHBondContact CD1-O 3.37Å; F286-Y330 HydrophobicContact CD2-CD2 4.4Å; F286-Y330 AromaticContact CE2-CD2 3.64Å; F286-Y330 HydrophobicContact CE2-CD2 3.64Å; F286-Y330 AromaticContact CE2-CE2 3.79Å; F286-Y330 HydrophobicContact CE2-CE2 3.79Å; F286-Y330 HydrophobicContact CZ-CD2 4.49Å; T315-Y330 VanDerWaalsContact CA-OH 3.32Å; T315-Y330 WeakPolarHBondContact CA-OH 3.36Å; T315-Y330 WeakPolarHBondContact CB-OH 3.35Å; T315-Y330 WeakPolarHBondContact O-CE2 3.47Å; G319-Y330 VanDerWaalsContact C-CD1 3.42Å; G319-Y330 VanDerWaalsContact CA-CZ 3.45Å; G319-Y330 WeakPolarHBondContact O-CD1 3.25Å; G319-Y330 PolarHBondContact O-N 3.08Å; V320-Y330 VanDerWaalsContact C-CE1 3.43Å; V320-Y330 VanDerWaalsContact N-CE1 3.31Å; V320-Y330 WeakPolarHBondContact O-CE1 3.46Å; C321-Y330 HydrophobicContact CB-CD1 3.83Å; C321-Y330 HydrophobicContact CB-CE1 4.18Å; Y330-A332 PolarHBondContact O-N 3.16Å; Y330-L335 VanDerWaalsContact O-CD1 3.26Å; Y330-L335 WeakPolarHBondContact O-CD1 3.34Å; Y330-A376 HydrophobicContact CE1-CB 4.07Å; Y330-F379 AromaticContact CD1-CE1 3.93Å; Y330-F379 HydrophobicContact CD1-CE1 3.93Å; Y330-F379 AromaticContact CD2-CE1 3.69Å; Y330-F379 HydrophobicContact CD2-CE1 3.69Å; Y330-F379 HydrophobicContact CD2-CZ 4.22Å; Y330-F379 HydrophobicContact CE1-CE1 4.22Å; Y330-F379 AromaticContact CE2-CE1 4Å; Y330-F379 HydrophobicContact CE2-CE1 4Å; Y330-F379 AromaticContact CG-CE1 3.64Å; Y330-F379 HydrophobicContact CG-CE1 3.64Å; Y330-F379 HydrophobicContact CG-CZ 4.01Å
331G98.1Very high95.3Very high0 Ų031.7 Ų31.70%018%0.177CC..  trans-61.1135174.900000112.7V316 E317 G319 G333 L334 L335V316-G331 WeakPolarHBondContact O-CA 3.41Å; E317-G331 VanDerWaalsContact C-CA 3.47Å; E317-G331 CarbonylContact O-C 3Å; E317-G331 WeakPolarHBondContact O-CA 3.47Å; G319-G331 PolarHBondContact O-N 3.08Å; G331-G333 PolarHBondContact O-N 3.35Å; G331-L334 WeakPolarHBondContact O-CB 3.47Å; G331-L334 PolarHBondContact O-N 2.81Å; G331-L334 VanDerWaalsContact O-N 3.08Å; G331-L335 WeakPolarHBondContact O-CG 3.36Å; G331-L335 PolarHBondContact O-N 2.77Å
332A97.7Very high95.2Very high2 Ų235.7 Ų35.72%0.01720%0.196CC..Hα-helixtrans-62.3-38.6-178.700000113.5H277 V316 E317 Y330 L334 L335 S336H277-A332 HydrophobicContact CB-CB 4.33Å; H277-A332 VanDerWaalsContact CD2-CB 3.49Å; H277-A332 WeakPolarHBondContact CD2-CB 3.31Å; H277-A332 WeakPolarHBondContact CE1-CB 3.44Å; H277-A332 VanDerWaalsContact CG-CB 3.48Å; H277-A332 WeakPolarHBondContact ND1-CB 3.34Å; H277-A332 WeakPolarHBondContact NE2-CB 3.31Å; V316-A332 PolarHBondContact O-N 3.09Å; E317-A332 PolarHBondContact O-N 3.44Å; E317-A332 VanDerWaalsContact O-N 3.08Å; Y330-A332 PolarHBondContact O-N 3.16Å; A332-L334 VanDerWaalsContact C-N 3.25Å; A332-L334 PolarHBondContact O-N 3.33Å; A332-L335 PolarHBondContact O-N 3.08Å; A332-S336 VanDerWaalsContact O-CB 3.31Å; A332-S336 WeakPolarHBondContact O-CB 3.11Å; A332-S336 PolarHBondContact O-N 2.59Å; A332-S336 PolarHBondContact O-OG 2.94Å
333G95.4Very high95.3Very high8 Ų834 Ų348%0.08219%0.186CC..Hα-helixtrans-59.2-36.1172.200000112.4E317 G331 S337E317-G333 WeakPolarHBondContact O-CA 3.23Å; E317-G333 PolarHBondContact O-N 3.08Å; G331-G333 PolarHBondContact O-N 3.35Å; G333-S337 WeakPolarHBondContact O-CB 3.5Å; G333-S337 PolarHBondContact O-N 2.79Å
334L96.5Very high95.4Very high0 Ų032.5 Ų32.50%018%0.179CC..Hα-helixtrans-71.9-50.5173.6-57.9177000111.2F318 V320 A329 G331 A332 S336 S337 E340 L341 C344 Y373F318-L334 HydrophobicContact CD1-CD2 3.83Å; F318-L334 HydrophobicContact CD1-CG 4.12Å; F318-L334 HydrophobicContact CE1-CD2 4.45Å; V320-L334 HydrophobicContact CG1-CD1 3.83Å; A329-L334 HydrophobicContact CB-CB 3.98Å; A329-L334 HydrophobicContact CB-CD1 3.89Å; G331-L334 WeakPolarHBondContact O-CB 3.47Å; G331-L334 PolarHBondContact O-N 2.81Å; G331-L334 VanDerWaalsContact O-N 3.08Å; A332-L334 VanDerWaalsContact C-N 3.25Å; A332-L334 PolarHBondContact O-N 3.33Å; L334-S336 PolarHBondContact O-N 2.79Å; L334-S337 PolarHBondContact O-N 3.2Å; L334-S337 VanDerWaalsContact O-N 3.17Å; L334-S337 VanDerWaalsContact O-O 3.13Å; L334-E340 HydrophobicContact CD2-CB 4.21Å; L334-E340 HydrophobicContact CD2-CG 3.64Å; L334-L341 HydrophobicContact CB-CD1 4.47Å; L334-L341 WeakPolarHBondContact O-CB 3.44Å; L334-C344 HydrophobicContact CD1-CB 4.17Å; L334-C344 HydrophobicContact CD2-CB 3.77Å; L334-Y373 HydrophobicContact CD1-CE1 4.31Å; L334-Y373 HydrophobicContact CD2-CE1 3.78Å
335L97.2Very high95.6Very high0 Ų026.7 Ų26.70%015%0.148CC..Hα-helixtrans-67.1-18.4-174.8-68.6166.2000113.3L181 Y185 A189 F193 L280 A329 Y330 G331 A332 L341L181-L335 WeakPolarHBondContact CD1-O 3.47Å; L181-L335 WeakPolarHBondContact CD2-O 3.22Å; Y185-L335 HydrophobicContact CD1-CD2 4.35Å; Y185-L335 HydrophobicContact CE1-CD2 4.33Å; Y185-L335 WeakPolarHBondContact CE1-O 3.34Å; Y185-L335 PolarHBondContact OH-O 3.2Å; A189-L335 HydrophobicContact CB-CD2 3.49Å; A189-L335 VanDerWaalsContact CB-CD2 3.49Å; F193-L335 HydrophobicContact CD2-CD1 3.44Å; F193-L335 VanDerWaalsContact CD2-CD1 3.44Å; F193-L335 HydrophobicContact CD2-CD2 4.07Å; F193-L335 HydrophobicContact CD2-CG 4.28Å; F193-L335 HydrophobicContact CE2-CB 4.2Å; F193-L335 HydrophobicContact CE2-CD1 3.64Å; F193-L335 HydrophobicContact CE2-CD2 4.1Å; F193-L335 HydrophobicContact CE2-CG 4.2Å; F193-L335 HydrophobicContact CG-CD1 4.31Å; F193-L335 HydrophobicContact CG-CD2 4.32Å; F193-L335 HydrophobicContact CZ-CD2 4.4Å; L280-L335 HydrophobicContact CD1-CD1 4.32Å; A329-L335 HydrophobicContact CB-CD2 4.5Å; Y330-L335 VanDerWaalsContact O-CD1 3.26Å; Y330-L335 WeakPolarHBondContact O-CD1 3.34Å; G331-L335 WeakPolarHBondContact O-CG 3.36Å; G331-L335 PolarHBondContact O-N 2.77Å; A332-L335 PolarHBondContact O-N 3.08Å; L335-L341 HydrophobicContact CD2-CD1 4.44Å
336S95.6Very high95.9Very high9 Ų926 Ų266%0.06313%0.131CC..THydrogen-bonded Turntrans-103.6-0.7177.1630000114.9H272 A332 L334H272-S336 PolarHBondContact ND1-OG 3.08Å; A332-S336 VanDerWaalsContact O-CB 3.31Å; A332-S336 WeakPolarHBondContact O-CB 3.11Å; A332-S336 PolarHBondContact O-N 2.59Å; A332-S336 PolarHBondContact O-OG 2.94Å; L334-S336 PolarHBondContact O-N 2.79Å
337S92.8Very high95.9Very high28 Ų2828.2 Ų28.220%0.19615%0.147CC..  trans-123.6104.1-178.5178.70000110.3G333 L334 G339 E340 L341G333-S337 WeakPolarHBondContact O-CB 3.5Å; G333-S337 PolarHBondContact O-N 2.79Å; L334-S337 PolarHBondContact O-N 3.2Å; L334-S337 VanDerWaalsContact O-N 3.17Å; L334-S337 VanDerWaalsContact O-O 3.13Å; S337-G339 VanDerWaalsContact C-N 3.26Å; S337-G339 PolarHBondContact O-N 2.62Å; S337-E340 PolarHBondContact O-N 2.93Å; S337-E340 WeakPolarHBondContact OG-CB 3.14Å; S337-E340 PolarHBondContact OG-N 3.29Å; S337-L341 WeakPolarHBondContact O-CB 3.5Å; S337-L341 PolarHBondContact O-N 2.85Å
338F90.6Very high96Very high55 Ų5533.2 Ų33.224%0.24117%0.172CC..Hα-helixtrans-59.4-38.4-176.661.2-90.1000112.2L181 L184 K263 Q342L181-F338 HydrophobicContact CD2-CB 4Å; L184-F338 HydrophobicContact CD1-CB 3.97Å; K263-F338 HydrophobicContact CB-CE1 3.47Å; K263-F338 VanDerWaalsContact CB-CE1 3.47Å; K263-F338 HydrophobicContact CB-CZ 3.56Å; K263-F338 HydrophobicContact CD-CE1 4.15Å; K263-F338 HydrophobicContact CD-CZ 3.79Å; K263-F338 HydrophobicContact CG-CE1 3.58Å; K263-F338 HydrophobicContact CG-CZ 3.72Å; K263-F338 WeakPolarHBondContact O-CE1 3.45Å; F338-Q342 WeakPolarHBondContact O-CG 3.26Å; F338-Q342 PolarHBondContact O-N 3.35Å
339G91.9Very high95.9Very high11 Ų1132.2 Ų32.211%0.11317%0.169CC..Hα-helixtrans-69.6-43.2-178.300000111.6S337 Q342 Y343 Y369S337-G339 VanDerWaalsContact C-N 3.26Å; S337-G339 PolarHBondContact O-N 2.62Å; G339-Q342 PolarHBondContact O-N 3.43Å; G339-Y343 WeakPolarHBondContact O-CB 3.43Å; G339-Y343 PolarHBondContact O-N 3.39Å; G339-Y369 WeakPolarHBondContact CA-OH 3.31Å
340E94.6Very high95.9Very high13 Ų1338.2 Ų38.26%0.06120%0.195CC..Hα-helixtrans-76.7-30.9-180-155.4167.6174.100112.7F318 L334 S337 Q342 Y343 C344 Y369 Q370 Y373F318-E340 WeakPolarHBondContact CE1-OE2 3.32Å; L334-E340 HydrophobicContact CD2-CB 4.21Å; L334-E340 HydrophobicContact CD2-CG 3.64Å; S337-E340 PolarHBondContact O-N 2.93Å; S337-E340 WeakPolarHBondContact OG-CB 3.14Å; S337-E340 PolarHBondContact OG-N 3.29Å; E340-Q342 VanDerWaalsContact C-N 3.26Å; E340-Q342 PolarHBondContact O-N 3.43Å; E340-Y343 HydrophobicContact CG-CD1 4.31Å; E340-Y343 PolarHBondContact O-N 2.78Å; E340-C344 VanDerWaalsContact O-CB 3.27Å; E340-C344 WeakPolarHBondContact O-CB 3.45Å; E340-C344 PolarHBondContact O-N 3.37Å; E340-C344 PolarHBondContact O-SG 2.87Å; E340-C344 VanDerWaalsContact O-SG 3.39Å; E340-Y369 HydrophobicContact CB-CD1 3.81Å; E340-Y369 HydrophobicContact CB-CE1 3.86Å; E340-Y369 HydrophobicContact CB-CG 4.44Å; E340-Y369 HydrophobicContact CG-CD1 3.7Å; E340-Y369 HydrophobicContact CG-CE1 4.27Å; E340-Y369 HydrophobicContact CG-CG 4Å; E340-Q370 WeakPolarHBondContact OE1-CG 3.47Å; E340-Q370 PolarHBondContact OE1-N 2.83Å; E340-Y373 VanDerWaalsContact CG-OH 3.31Å; E340-Y373 WeakPolarHBondContact CG-OH 3.48Å; E340-Y373 PolarHBondContact OE1-OH 2.86Å
341L95.8Very high95.9Very high0 Ų040.5 Ų40.50%021%0.208CC..Hα-helixtrans-58.4-38.7172-172.654.4000112.2L181 L184 Y185 H188 A329 L334 L335 S337 C344L181-L341 HydrophobicContact CD2-CD2 4.47Å; L184-L341 HydrophobicContact CB-CD2 3.72Å; L184-L341 HydrophobicContact CD1-CD2 4.08Å; Y185-L341 HydrophobicContact CD1-CD2 4.31Å; Y185-L341 HydrophobicContact CE1-CD2 4.43Å; H188-L341 HydrophobicContact CB-CD1 3.64Å; H188-L341 HydrophobicContact CB-CD2 4.03Å; H188-L341 HydrophobicContact CB-CG 3.65Å; H188-L341 PolarHBondContact CD2-O 3.19Å; A329-L341 HydrophobicContact CB-CD1 3.5Å; L334-L341 HydrophobicContact CB-CD1 4.47Å; L334-L341 WeakPolarHBondContact O-CB 3.44Å; L335-L341 HydrophobicContact CD2-CD1 4.44Å; S337-L341 WeakPolarHBondContact O-CB 3.5Å; S337-L341 PolarHBondContact O-N 2.85Å; L341-C344 PolarHBondContact O-SG 3.3Å
342Q95.3Very high95.8Very high89 Ų8943 Ų4342%0.41622%0.222SC..Hα-helixtrans-75.1-48.5175.4-66.4-178.4-88.100110.9L184 F338 G339 E340 C344 L345 T346L184-Q342 HydrophobicContact CD1-CG 4.05Å; L184-Q342 HydrophobicContact CD2-CG 4.25Å; F338-Q342 WeakPolarHBondContact O-CG 3.26Å; F338-Q342 PolarHBondContact O-N 3.35Å; G339-Q342 PolarHBondContact O-N 3.43Å; E340-Q342 VanDerWaalsContact C-N 3.26Å; E340-Q342 PolarHBondContact O-N 3.43Å; Q342-C344 PolarHBondContact O-N 3.22Å; Q342-L345 PolarHBondContact O-N 3.04Å; Q342-T346 WeakPolarHBondContact O-CG2 3.29Å
343Y96.6Very high95.8Very high40 Ų4047.4 Ų47.416%0.15725%0.25CC..Hα-helixtrans-57.2-45.5-178.9169.4-99.2000112.7G339 E340 L345 T346 E348 P349 Y369 Q370 Y373G339-Y343 WeakPolarHBondContact O-CB 3.43Å; G339-Y343 PolarHBondContact O-N 3.39Å; E340-Y343 HydrophobicContact CG-CD1 4.31Å; E340-Y343 PolarHBondContact O-N 2.78Å; Y343-L345 PolarHBondContact O-N 3.04Å; Y343-T346 WeakPolarHBondContact O-CB 3.36Å; Y343-T346 PolarHBondContact O-N 2.97Å; Y343-T346 PolarHBondContact O-OG1 2.98Å; Y343-E348 HydrophobicContact CE2-CB 3.85Å; Y343-P349 HydrophobicContact CE1-CB 3.83Å; Y343-P349 HydrophobicContact CE1-CG 4.07Å; Y343-Y369 AromaticContact CD1-CD2 3.91Å; Y343-Y369 HydrophobicContact CD1-CD2 3.91Å; Y343-Y369 HydrophobicContact CD1-CG 4.06Å; Y343-Y369 HydrophobicContact CD2-CD2 4.03Å; Y343-Y369 HydrophobicContact CE1-CD2 4.45Å; Y343-Y369 HydrophobicContact CE1-CG 4.45Å; Y343-Y369 AromaticContact CG-CD2 3.67Å; Y343-Y369 HydrophobicContact CG-CD2 3.67Å; Y343-Y369 HydrophobicContact CG-CE2 4.36Å; Y343-Y369 HydrophobicContact CG-CG 4.29Å; Y343-Q370 WeakPolarHBondContact CE1-O 3.46Å; Y343-Y373 HydrophobicContact CD1-CE2 4.25Å; Y343-Y373 WeakPolarHBondContact CD1-OH 3.21Å; Y343-Y373 AromaticContact CE1-CE2 3.99Å; Y343-Y373 HydrophobicContact CE1-CE2 3.99Å
344C96.5Very high95.9Very high0 Ų047.2 Ų47.20%025%0.247CC..THydrogen-bonded Turntrans-64-14.9-175.276.50000113.8R327 L334 E340 L341 Q342 Y373R327-C344 PolarHBondContact NE-O 3.32Å; R327-C344 VanDerWaalsContact NE-O 3.13Å; R327-C344 PolarHBondContact NH1-O 3.03Å; L334-C344 HydrophobicContact CD1-CB 4.17Å; L334-C344 HydrophobicContact CD2-CB 3.77Å; E340-C344 VanDerWaalsContact O-CB 3.27Å; E340-C344 WeakPolarHBondContact O-CB 3.45Å; E340-C344 PolarHBondContact O-N 3.37Å; E340-C344 PolarHBondContact O-SG 2.87Å; E340-C344 VanDerWaalsContact O-SG 3.39Å; L341-C344 PolarHBondContact O-SG 3.3Å; Q342-C344 PolarHBondContact O-N 3.22Å; C344-Y373 HydrophobicContact CB-CD2 4.18Å; C344-Y373 HydrophobicContact CB-CE1 4.07Å; C344-Y373 HydrophobicContact CB-CE2 3.55Å; C344-Y373 VanDerWaalsContact CB-CZ 3.48Å
345L96.5Very high96Very high43 Ų4350.6 Ų50.623%0.22527%0.265CS..THydrogen-bonded Turntrans-101.4-2.3177.1-58-168.8000114.1H188 R327 Q342 Y343H188-L345 HydrophobicContact CB-CD1 3.76Å; R327-L345 HydrophobicContact CB-CD2 4.27Å; R327-L345 HydrophobicContact CG-CD2 3.81Å; R327-L345 PolarHBondContact NH2-O 3.23Å; Q342-L345 PolarHBondContact O-N 3.04Å; Y343-L345 PolarHBondContact O-N 3.04Å
346T96.9Very high95.9Very high51 Ų5150.8 Ų50.831%0.31327%0.266SS..SBendtrans-79.7173.2172.569.90000112.9R327 Q342 Y343 E348 P349R327-T346 PolarHBondContact NH2-O 2.93Å; Q342-T346 WeakPolarHBondContact O-CG2 3.29Å; Y343-T346 WeakPolarHBondContact O-CB 3.36Å; Y343-T346 PolarHBondContact O-N 2.97Å; Y343-T346 PolarHBondContact O-OG1 2.98Å; T346-E348 VanDerWaalsContact C-N 3.27Å; T346-E348 PolarHBondContact OG1-N 2.89Å; T346-P349 WeakPolarHBondContact O-CD 3.48Å; T346-P349 VanDerWaalsContact OG1-CD 3.28Å; T346-P349 WeakPolarHBondContact OG1-CD 3.5Å
347D95.5Very high95.9Very high165 Ų16555.7 Ų55.788%0.88229%0.288SS*.SBendtrans-82.2-1.8174.7-61.9-35000113.5
348E96.9Very high96.1Very high153 Ų15357.6 Ų57.672%0.71530%0.299SS*.SBendtrans-69.5-50.1-179.8-65.2-174.3-166.100114.2Y343 T346Y343-E348 HydrophobicContact CE2-CB 3.85Å; T346-E348 VanDerWaalsContact C-N 3.27Å; T346-E348 PolarHBondContact OG1-N 2.89Å
349P97.4Very high96.4Very high8 Ų855 Ų555%0.05229%0.287CS..SBendtrans-76145179.330.3-35.7000111.8Y343 T346 Y373Y343-P349 HydrophobicContact CE1-CB 3.83Å; Y343-P349 HydrophobicContact CE1-CG 4.07Å; T346-P349 WeakPolarHBondContact O-CD 3.48Å; T346-P349 VanDerWaalsContact OG1-CD 3.28Å; T346-P349 WeakPolarHBondContact OG1-CD 3.5Å; P349-Y373 HydrophobicContact CB-CD2 3.62Å; P349-Y373 HydrophobicContact CB-CE2 3.46Å; P349-Y373 VanDerWaalsContact CB-CE2 3.46Å; P349-Y373 HydrophobicContact CG-CD2 3.94Å; P349-Y373 HydrophobicContact CG-CE2 3.73Å
350K97.9Very high96.7Very high126 Ų12654.7 Ų54.755%0.54828%0.283SS..EExtended strand (participates in β ladder)trans-69.5145.2171.1-171.6175.8176.3-176.20109.8P371 L372 Y373K350-P371 PolarHBondContact N-O 2.69Å; K350-L372 HydrophobicContact CB-CD1 3.9Å; K350-L372 HydrophobicContact CD-CD1 4.14Å; K350-L372 HydrophobicContact CG-CD1 3.84Å; K350-L372 CarbonylContact O-C 3.6Å; K350-L372 WeakPolarHBondContact O-CA 3.35Å; K350-Y373 PolarHBondContact O-N 3.18Å
351V97.8Very high96.7Very high49 Ų4958.5 Ų58.530%0.29731%0.308SS..EExtended strand (participates in β ladder)trans-127.7129.5172.4-174.80000109.7V320 Y373 L375V320-V351 HydrophobicContact CG2-CG1 4.43Å; V351-Y373 WeakPolarHBondContact CA-O 3.47Å; V351-L375 HydrophobicContact CG1-CB 3.76Å
352L97.6Very high96.8Very high54 Ų5459.9 Ų59.928%0.28332%0.316SS..EExtended strand (participates in β ladder)trans-120.9151174.1-67.5177.9000110.4L372 Y373 F374 L375L352-L372 HydrophobicContact CB-CD1 4.24Å; L352-L372 HydrophobicContact CD1-CD1 3.92Å; L352-L372 HydrophobicContact CD1-CD2 4.25Å; L352-L372 HydrophobicContact CG-CD1 3.79Å; L352-Y373 PolarHBondContact N-O 3.24Å; L352-F374 HydrophobicContact CB-CD1 4.05Å; L352-F374 HydrophobicContact CB-CE1 3.99Å; L352-F374 HydrophobicContact CD1-CE1 4.38Å; L352-F374 CarbonylContact O-C 3.6Å; L352-F374 VanDerWaalsContact O-CA 3.31Å; L352-F374 WeakPolarHBondContact O-CA 3.36Å; L352-L375 PolarHBondContact O-N 3.28Å
353P97.4Very high96.9Very high93 Ų9364.5 Ų64.560%0.60434%0.338SS*.EExtended strand (participates in β ladder)trans-58.4140.9169.9-2132.9000111D355 F374P353-D355 PolarHBondContact O-N 3.42Å; P353-F374 WeakPolarHBondContact O-CD1 3.21Å
354F97.6Very high96.9Very high5 Ų566.2 Ų66.22%0.02234%0.344CS..  trans-65.7115.1175.5176.9-114000111L311 T315 P356 T359 F374 L375 A382 R385L311-F354 HydrophobicContact CD2-CE2 3.91Å; L311-F354 HydrophobicContact CD2-CZ 4.12Å; T315-F354 HydrophobicContact CG2-CD2 3.85Å; T315-F354 HydrophobicContact CG2-CE2 3.37Å; T315-F354 HydrophobicContact CG2-CZ 3.76Å; F354-P356 HydrophobicContact CE1-CG 3.86Å; F354-P356 HydrophobicContact CZ-CB 4.49Å; F354-P356 HydrophobicContact CZ-CG 3.78Å; F354-T359 HydrophobicContact CD2-CG2 4.29Å; F354-T359 HydrophobicContact CE2-CG2 4.06Å; F354-F374 HydrophobicContact CB-CB 4.32Å; F354-F374 HydrophobicContact CD2-CB 4.23Å; F354-L375 WeakPolarHBondContact CB-O 3.11Å; F354-L375 PolarHBondContact N-O 3.28Å; F354-A382 HydrophobicContact CD1-CB 3.98Å; F354-A382 HydrophobicContact CE1-CB 3.93Å; F354-R385 HydrophobicContact CE1-CB 4.43Å
355D96.9Very high96.8Very high70 Ų7068 Ų6837%0.37436%0.356SS..  trans-133109.6173.5-178.7-11.3000107.6P353 E357 V358 T359P353-D355 PolarHBondContact O-N 3.42Å; D355-E357 PolarHBondContact O-N 3.38Å; D355-E357 VanDerWaalsContact O-N 3.1Å; D355-E357 PolarHBondContact OD1-N 3.39Å; D355-V358 HydrophobicContact CB-CB 4.35Å; D355-V358 HydrophobicContact CB-CG2 4.3Å; D355-V358 PolarHBondContact O-N 3.31Å; D355-T359 WeakPolarHBondContact O-CB 3.46Å; D355-T359 PolarHBondContact O-N 3.3Å; D355-T359 PolarHBondContact O-OG1 3.01Å
356P96.2Very high96.3Very high4 Ų471.5 Ų71.53%0.02637%0.374CS..Hα-helixtrans-54-33.3-175.2-28.133.8000114.8L311 F354 A360 R385 W389L311-P356 HydrophobicContact CD2-CB 3.88Å; F354-P356 HydrophobicContact CE1-CG 3.86Å; F354-P356 HydrophobicContact CZ-CB 4.49Å; F354-P356 HydrophobicContact CZ-CG 3.78Å; P356-A360 WeakPolarHBondContact O-CB 3.48Å; P356-A360 PolarHBondContact O-N 2.83Å; P356-R385 HydrophobicContact CG-CB 3.93Å; P356-W389 HydrophobicContact CB-CB 3.62Å; P356-W389 HydrophobicContact CB-CD2 4.08Å; P356-W389 HydrophobicContact CB-CG 3.55Å; P356-W389 HydrophobicContact CG-CB 4.13Å
357E95.4Very high95.7Very high112 Ų11274.4 Ų74.452%0.52339%0.392SS..Hα-helixtrans-66.6-40.5-179.3-168.963.5-157.900111.4D355 W389D355-E357 PolarHBondContact O-N 3.38Å; D355-E357 VanDerWaalsContact O-N 3.1Å; D355-E357 PolarHBondContact OD1-N 3.39Å; E357-W389 PolarHBondContact OE2-NE1 2.79Å; E357-W389 VanDerWaalsContact OE2-NE1 3.16Å
358V97.1Very high95.4Very high69 Ų6969.7 Ų69.742%0.41837%0.372SS..Hα-helixtrans-79-44.6177.7-179.90000110.8D355 A360 T361 T362 F374D355-V358 HydrophobicContact CB-CB 4.35Å; D355-V358 HydrophobicContact CB-CG2 4.3Å; D355-V358 PolarHBondContact O-N 3.31Å; V358-A360 PolarHBondContact O-N 2.81Å; V358-T361 PolarHBondContact O-N 3.36Å; V358-T361 PolarHBondContact O-OG1 2.77Å; V358-T362 PolarHBondContact O-N 3.3Å; V358-T362 PolarHBondContact O-OG1 3Å; V358-F374 HydrophobicContact CG1-CE1 4.39Å; V358-F374 HydrophobicContact CG1-CZ 4.48Å
359T97.7Very high95.3Very high0 Ų067.7 Ų67.70%036%0.358CS..Hα-helixtrans-62.2-43.9-177-59.40000111T310 L311 F314 F354 D355 T361 T362 F374T310-T359 WeakPolarHBondContact CG2-O 3.41Å; L311-T359 HydrophobicContact CD2-CG2 3.93Å; F314-T359 HydrophobicContact CB-CG2 3.45Å; F314-T359 VanDerWaalsContact CB-CG2 3.45Å; F314-T359 HydrophobicContact CD2-CG2 3.76Å; F314-T359 HydrophobicContact CG-CG2 3.94Å; F354-T359 HydrophobicContact CD2-CG2 4.29Å; F354-T359 HydrophobicContact CE2-CG2 4.06Å; D355-T359 WeakPolarHBondContact O-CB 3.46Å; D355-T359 PolarHBondContact O-N 3.3Å; D355-T359 PolarHBondContact O-OG1 3.01Å; T359-T361 PolarHBondContact O-N 3.37Å; T359-T361 VanDerWaalsContact O-N 3.07Å; T359-T362 WeakPolarHBondContact O-CB 3.38Å; T359-T362 PolarHBondContact O-N 3.45Å; T359-T362 VanDerWaalsContact O-N 3.1Å; T359-F374 HydrophobicContact CG2-CD2 3.8Å; T359-F374 HydrophobicContact CG2-CE2 3.87Å; T359-F374 HydrophobicContact CG2-CG 4.14Å; T359-F374 HydrophobicContact CG2-CZ 4.3Å; T359-F374 WeakPolarHBondContact OG1-CD1 3.48Å; T359-F374 WeakPolarHBondContact OG1-CE1 3.48Å; T359-F374 WeakPolarHBondContact OG1-CG 3.41Å
360A96.5Very high95.3Very high4 Ų467.4 Ų67.43%0.03336%0.356CS..THydrogen-bonded Turntrans-62.4-17.2-176.200000115.1K307 L311 P356 V358 W389K307-A360 HydrophobicContact CB-CB 3.92Å; K307-A360 HydrophobicContact CG-CB 4.09Å; L311-A360 HydrophobicContact CD1-CB 4.12Å; L311-A360 HydrophobicContact CD2-CB 4.2Å; L311-A360 HydrophobicContact CG-CB 3.9Å; P356-A360 WeakPolarHBondContact O-CB 3.48Å; P356-A360 PolarHBondContact O-N 2.83Å; V358-A360 PolarHBondContact O-N 2.81Å; A360-W389 HydrophobicContact CB-CZ2 3.97Å
361T96.2Very high95.2Very high94 Ų9465 Ų6558%0.57735%0.353SS*.THydrogen-bonded Turntrans-114.58.7179.364.10000112.9V358 T359V358-T361 PolarHBondContact O-N 3.36Å; V358-T361 PolarHBondContact O-OG1 2.77Å; T359-T361 PolarHBondContact O-N 3.37Å; T359-T361 VanDerWaalsContact O-N 3.07Å
362T97.8Very high95.3Very high29 Ų2963.9 Ų63.918%0.17835%0.346CS..  trans-82.9128.7-178.7-63.40000110.2T310 F314 V358 T359 L372 F374T310-T362 WeakPolarHBondContact CG2-O 3.42Å; F314-T362 HydrophobicContact CE2-CG2 3.74Å; F314-T362 WeakPolarHBondContact CE2-O 3.28Å; F314-T362 HydrophobicContact CZ-CG2 3.63Å; V358-T362 PolarHBondContact O-N 3.3Å; V358-T362 PolarHBondContact O-OG1 3Å; T359-T362 WeakPolarHBondContact O-CB 3.38Å; T359-T362 PolarHBondContact O-N 3.45Å; T359-T362 VanDerWaalsContact O-N 3.1Å; T362-L372 HydrophobicContact CG2-CD2 3.75Å; T362-F374 HydrophobicContact CG2-CE2 4.06Å; T362-F374 HydrophobicContact CG2-CZ 4.25Å
363E97Very high95.3Very high185 Ų18561.3 Ų61.386%0.86433%0.332SS*.  trans-75.6152.2174.6-64.3-176.6172.200111.9
364Y96.5Very high95.3Very high76 Ų7657 Ų5730%0.29830%0.304SS..  trans-147148.4-179.152.5-90.5000113T310 W313 F314 I366T310-Y364 HydrophobicContact CG2-CD1 4.26Å; T310-Y364 HydrophobicContact CG2-CE1 3.93Å; W313-Y364 HydrophobicContact CB-CE1 4.25Å; W313-Y364 HydrophobicContact CB-CE2 4.48Å; W313-Y364 AromaticContact CD1-CD1 3.8Å; W313-Y364 AromaticContact CD1-CD2 3.67Å; W313-Y364 AromaticContact CD1-CE2 4Å; W313-Y364 AromaticContact CD1-CG 3.54Å; W313-Y364 AromaticContact CD2-CD2 3.67Å; W313-Y364 HydrophobicContact CD2-CD2 3.67Å; W313-Y364 AromaticContact CD2-CE2 3.45Å; W313-Y364 HydrophobicContact CD2-CE2 3.45Å; W313-Y364 VanDerWaalsContact CD2-CE2 3.45Å; W313-Y364 HydrophobicContact CD2-CG 4.34Å; W313-Y364 AromaticContact CD2-CZ 3.98Å; W313-Y364 AromaticContact CE2-CD2 3.26Å; W313-Y364 AromaticContact CE2-CE2 3.56Å; W313-Y364 AromaticContact CE2-CG 3.92Å; W313-Y364 HydrophobicContact CE3-CD2 4.4Å; W313-Y364 AromaticContact CE3-CE2 3.84Å; W313-Y364 HydrophobicContact CE3-CE2 3.84Å; W313-Y364 HydrophobicContact CG-CD1 4.21Å; W313-Y364 AromaticContact CG-CD2 3.91Å; W313-Y364 HydrophobicContact CG-CD2 3.91Å; W313-Y364 HydrophobicContact CG-CE1 4.09Å; W313-Y364 AromaticContact CG-CE2 3.76Å; W313-Y364 HydrophobicContact CG-CE2 3.76Å; W313-Y364 HydrophobicContact CG-CG 4.12Å; W313-Y364 AromaticContact CG-CZ 3.85Å; W313-Y364 HydrophobicContact CH2-CD2 4.41Å; W313-Y364 HydrophobicContact CH2-CE2 4.35Å; W313-Y364 AromaticContact CZ2-CD2 3.68Å; W313-Y364 HydrophobicContact CZ2-CD2 3.68Å; W313-Y364 HydrophobicContact CZ2-CE2 4.01Å; W313-Y364 HydrophobicContact CZ3-CE2 4.27Å; W313-Y364 AromaticContact NE1-CD2 3.27Å; W313-Y364 VanDerWaalsContact NE1-CD2 3.27Å; W313-Y364 AromaticContact NE1-CE2 3.9Å; W313-Y364 AromaticContact NE1-CG 3.42Å; F314-Y364 AromaticContact CE2-CD1 3.75Å; F314-Y364 HydrophobicContact CE2-CD1 3.75Å; F314-Y364 HydrophobicContact CE2-CG 4.43Å; F314-Y364 HydrophobicContact CZ-CD1 4.03Å; F314-Y364 HydrophobicContact CZ-CG 4.27Å; Y364-I366 HydrophobicContact CD2-CG2 3.95Å; Y364-I366 HydrophobicContact CE2-CG2 3.83Å
365P93.3Very high95.3Very high37 Ų3758.5 Ų58.524%0.2431%0.312CS..  trans-80.5148.6167.733.8-32.9000111.3W313 S368 Q370 P371W313-P365 WeakPolarHBondContact CZ2-O 3.46Å; P365-S368 VanDerWaalsContact CB-OG 3.3Å; P365-S368 WeakPolarHBondContact CB-OG 3.4Å; P365-S368 WeakPolarHBondContact CG-OG 3.27Å; P365-Q370 PolarHBondContact O-NE2 3.28Å; P365-P371 HydrophobicContact CG-CG 4.46Å
366I86.8Confident95.3Very high117 Ų11755.2 Ų55.260%0.630%0.295SS*.SBendtrans-106.9-13.9175.466.8174.9000113.4W313 Y364W313-I366 HydrophobicContact CH2-CB 4.09Å; W313-I366 HydrophobicContact CH2-CG2 3.76Å; W313-I366 HydrophobicContact CZ2-CG2 4.12Å; W313-I366 HydrophobicContact CZ3-CG2 4.32Å; Y364-I366 HydrophobicContact CD2-CG2 3.95Å; Y364-I366 HydrophobicContact CE2-CG2 3.83Å
367T85Confident95.3Very high113 Ų11360.7 Ų60.769%0.69332%0.32SS*.SBendtrans-112.86-175.1560000113.7
368S89.5Confident95.1Very high66 Ų6657.9 Ų57.946%0.46231%0.313SS..SBendtrans-140.1166.2177.2690000110.4P365 Q370P365-S368 VanDerWaalsContact CB-OG 3.3Å; P365-S368 WeakPolarHBondContact CB-OG 3.4Å; P365-S368 WeakPolarHBondContact CG-OG 3.27Å; S368-Q370 PolarHBondContact O-NE2 3.24Å
369Y93.9Very high94.9Very high110 Ų11055.2 Ų55.243%0.43130%0.296SS..  trans-58145.1172.3-60.9-18.6000110.9G339 E340 Y343 P371G339-Y369 WeakPolarHBondContact CA-OH 3.31Å; E340-Y369 HydrophobicContact CB-CD1 3.81Å; E340-Y369 HydrophobicContact CB-CE1 3.86Å; E340-Y369 HydrophobicContact CB-CG 4.44Å; E340-Y369 HydrophobicContact CG-CD1 3.7Å; E340-Y369 HydrophobicContact CG-CE1 4.27Å; E340-Y369 HydrophobicContact CG-CG 4Å; Y343-Y369 AromaticContact CD1-CD2 3.91Å; Y343-Y369 HydrophobicContact CD1-CD2 3.91Å; Y343-Y369 HydrophobicContact CD1-CG 4.06Å; Y343-Y369 HydrophobicContact CD2-CD2 4.03Å; Y343-Y369 HydrophobicContact CE1-CD2 4.45Å; Y343-Y369 HydrophobicContact CE1-CG 4.45Å; Y343-Y369 AromaticContact CG-CD2 3.67Å; Y343-Y369 HydrophobicContact CG-CD2 3.67Å; Y343-Y369 HydrophobicContact CG-CE2 4.36Å; Y343-Y369 HydrophobicContact CG-CG 4.29Å; Y369-P371 WeakPolarHBondContact O-CD 3.34Å
370Q96.7Very high94.6Very high2 Ų259.7 Ų59.71%0.00932%0.316CS..  trans-69.4124-176.9-55.3-56.5-65.800110.6F318 E340 Y343 P365 S368 L372 Y373F318-Q370 HydrophobicContact CB-CG 4.08Å; F318-Q370 HydrophobicContact CD1-CG 3.6Å; F318-Q370 HydrophobicContact CD2-CG 4.3Å; F318-Q370 HydrophobicContact CE1-CG 4.1Å; F318-Q370 HydrophobicContact CG-CG 3.72Å; E340-Q370 WeakPolarHBondContact OE1-CG 3.47Å; E340-Q370 PolarHBondContact OE1-N 2.83Å; Y343-Q370 WeakPolarHBondContact CE1-O 3.46Å; P365-Q370 PolarHBondContact O-NE2 3.28Å; S368-Q370 PolarHBondContact O-NE2 3.24Å; Q370-L372 PolarHBondContact O-N 3.17Å; Q370-Y373 HydrophobicContact CB-CD1 4.12Å; Q370-Y373 HydrophobicContact CB-CE1 3.51Å; Q370-Y373 HydrophobicContact CB-CE2 4.36Å; Q370-Y373 HydrophobicContact CG-CE1 3.81Å; Q370-Y373 WeakPolarHBondContact O-CE2 3.39Å
371P97.4Very high94.4Very high75 Ų7560.5 Ų60.549%0.48732%0.322SS..SBendtrans-71.9-13.2176.830.6-36000112.7K350 P365 Y369K350-P371 PolarHBondContact N-O 2.69Å; P365-P371 HydrophobicContact CG-CG 4.46Å; Y369-P371 WeakPolarHBondContact O-CD 3.34Å
372L98.2Very high94.3Very high27 Ų2756.1 Ų56.114%0.14130%0.295CS..EExtended strand (participates in β ladder)trans-143132.3-175.4171.361.7000110.2K350 L352 T362 Q370 F374K350-L372 HydrophobicContact CB-CD1 3.9Å; K350-L372 HydrophobicContact CD-CD1 4.14Å; K350-L372 HydrophobicContact CG-CD1 3.84Å; K350-L372 CarbonylContact O-C 3.6Å; K350-L372 WeakPolarHBondContact O-CA 3.35Å; L352-L372 HydrophobicContact CB-CD1 4.24Å; L352-L372 HydrophobicContact CD1-CD1 3.92Å; L352-L372 HydrophobicContact CD1-CD2 4.25Å; L352-L372 HydrophobicContact CG-CD1 3.79Å; T362-L372 HydrophobicContact CG2-CD2 3.75Å; Q370-L372 PolarHBondContact O-N 3.17Å; L372-F374 HydrophobicContact CD2-CE2 4.1Å; L372-F374 HydrophobicContact CD2-CZ 4.15Å; L372-F374 HydrophobicContact CG-CE2 4.29Å
373Y98.4Very high94Very high0 Ų055 Ų550%029%0.288CS..EExtended strand (participates in β ladder)trans-119.1152.7170.7-59.6-75.7000111.1F318 V320 L334 E340 Y343 C344 P349 K350 V351 L352 Q370F318-Y373 HydrophobicContact CB-CD1 4.25Å; F318-Y373 HydrophobicContact CB-CE1 4.18Å; F318-Y373 HydrophobicContact CD1-CE1 4.3Å; F318-Y373 VanDerWaalsContact O-CD1 3.25Å; F318-Y373 WeakPolarHBondContact O-CD1 3.43Å; V320-Y373 HydrophobicContact CG1-CG 4.4Å; L334-Y373 HydrophobicContact CD1-CE1 4.31Å; L334-Y373 HydrophobicContact CD2-CE1 3.78Å; E340-Y373 VanDerWaalsContact CG-OH 3.31Å; E340-Y373 WeakPolarHBondContact CG-OH 3.48Å; E340-Y373 PolarHBondContact OE1-OH 2.86Å; Y343-Y373 HydrophobicContact CD1-CE2 4.25Å; Y343-Y373 WeakPolarHBondContact CD1-OH 3.21Å; Y343-Y373 AromaticContact CE1-CE2 3.99Å; Y343-Y373 HydrophobicContact CE1-CE2 3.99Å; C344-Y373 HydrophobicContact CB-CD2 4.18Å; C344-Y373 HydrophobicContact CB-CE1 4.07Å; C344-Y373 HydrophobicContact CB-CE2 3.55Å; C344-Y373 VanDerWaalsContact CB-CZ 3.48Å; P349-Y373 HydrophobicContact CB-CD2 3.62Å; P349-Y373 HydrophobicContact CB-CE2 3.46Å; P349-Y373 VanDerWaalsContact CB-CE2 3.46Å; P349-Y373 HydrophobicContact CG-CD2 3.94Å; P349-Y373 HydrophobicContact CG-CE2 3.73Å; K350-Y373 PolarHBondContact O-N 3.18Å; V351-Y373 WeakPolarHBondContact CA-O 3.47Å; L352-Y373 PolarHBondContact N-O 3.24Å; Q370-Y373 HydrophobicContact CB-CD1 4.12Å; Q370-Y373 HydrophobicContact CB-CE1 3.51Å; Q370-Y373 HydrophobicContact CB-CE2 4.36Å; Q370-Y373 HydrophobicContact CG-CE1 3.81Å; Q370-Y373 WeakPolarHBondContact O-CE2 3.39Å
374F98.3Very high93.8Very high1 Ų149.5 Ų49.50%0.00426%0.262CS..EExtended strand (participates in β ladder)trans-105.9128173.5-73.5-87.7000111.4F314 V320 L352 P353 F354 V358 T359 T362 L372F314-F374 HydrophobicContact CB-CD2 3.7Å; F314-F374 HydrophobicContact CB-CE2 4.36Å; F314-F374 AromaticContact CD1-CD2 3.63Å; F314-F374 HydrophobicContact CD1-CD2 3.63Å; F314-F374 AromaticContact CD1-CE2 3.96Å; F314-F374 HydrophobicContact CD1-CE2 3.96Å; F314-F374 HydrophobicContact CD2-CD2 4.15Å; F314-F374 AromaticContact CD2-CE2 3.97Å; F314-F374 HydrophobicContact CD2-CE2 3.97Å; F314-F374 HydrophobicContact CE1-CD2 4.24Å; F314-F374 HydrophobicContact CE1-CE2 4.17Å; F314-F374 HydrophobicContact CE2-CE2 4.18Å; F314-F374 AromaticContact CG-CD2 3.57Å; F314-F374 HydrophobicContact CG-CD2 3.57Å; F314-F374 AromaticContact CG-CE2 3.84Å; F314-F374 HydrophobicContact CG-CE2 3.84Å; F314-F374 HydrophobicContact CZ-CE2 4.25Å; V320-F374 WeakPolarHBondContact CG2-O 3.37Å; V320-F374 PolarHBondContact N-O 3.16Å; L352-F374 HydrophobicContact CB-CD1 4.05Å; L352-F374 HydrophobicContact CB-CE1 3.99Å; L352-F374 HydrophobicContact CD1-CE1 4.38Å; L352-F374 CarbonylContact O-C 3.6Å; L352-F374 VanDerWaalsContact O-CA 3.31Å; L352-F374 WeakPolarHBondContact O-CA 3.36Å; P353-F374 WeakPolarHBondContact O-CD1 3.21Å; F354-F374 HydrophobicContact CB-CB 4.32Å; F354-F374 HydrophobicContact CD2-CB 4.23Å; V358-F374 HydrophobicContact CG1-CE1 4.39Å; V358-F374 HydrophobicContact CG1-CZ 4.48Å; T359-F374 HydrophobicContact CG2-CD2 3.8Å; T359-F374 HydrophobicContact CG2-CE2 3.87Å; T359-F374 HydrophobicContact CG2-CG 4.14Å; T359-F374 HydrophobicContact CG2-CZ 4.3Å; T359-F374 WeakPolarHBondContact OG1-CD1 3.48Å; T359-F374 WeakPolarHBondContact OG1-CE1 3.48Å; T359-F374 WeakPolarHBondContact OG1-CG 3.41Å; T362-F374 HydrophobicContact CG2-CE2 4.06Å; T362-F374 HydrophobicContact CG2-CZ 4.25Å; L372-F374 HydrophobicContact CD2-CE2 4.1Å; L372-F374 HydrophobicContact CD2-CZ 4.15Å; L372-F374 HydrophobicContact CG-CE2 4.29Å
375L97.7Very high93.7Very high38 Ų3850.6 Ų50.620%0.19927%0.265CS..EExtended strand (participates in β ladder)trans-89.6111.8-177.1-172.574.2000110.8V320 C321 Q322 R327 V351 L352 F354V320-L375 HydrophobicContact CG2-CB 4.41Å; V320-L375 HydrophobicContact CG2-CD1 4Å; V320-L375 CarbonylContact O-C 3.57Å; V320-L375 WeakPolarHBondContact O-CA 3.41Å; C321-L375 VanDerWaalsContact C-CD1 3.49Å; Q322-L375 HydrophobicContact CB-CD1 4.13Å; Q322-L375 HydrophobicContact CB-CD2 4.17Å; Q322-L375 HydrophobicContact CB-CG 4.28Å; R327-L375 HydrophobicContact CG-CD1 4.31Å; V351-L375 HydrophobicContact CG1-CB 3.76Å; L352-L375 PolarHBondContact O-N 3.28Å; F354-L375 WeakPolarHBondContact CB-O 3.11Å; F354-L375 PolarHBondContact N-O 3.28Å
376A96.7Very high93.7Very high1 Ų148.9 Ų48.91%0.00825%0.254CS..EExtended strand (participates in β ladder)trans-81.5128.9168.200000110.6V320 C321 Q322 Y330 S378 A382V320-A376 PolarHBondContact O-N 2.89Å; C321-A376 VanDerWaalsContact CA-O 3.25Å; C321-A376 WeakPolarHBondContact CA-O 3.49Å; C321-A376 WeakPolarHBondContact CB-O 3.18Å; Q322-A376 PolarHBondContact N-O 3.08Å; Q322-A376 VanDerWaalsContact N-O 3.16Å; Y330-A376 HydrophobicContact CE1-CB 4.07Å; A376-S378 VanDerWaalsContact C-N 3.33Å; A376-A382 HydrophobicContact CB-CB 4.3Å
377E94.6Very high93.8Very high119 Ų11947 Ų4756%0.55624%0.24SC*.SBendtrans-65-39.9173.2-66.3167.1172.100111.5S381 R385E377-S381 PolarHBondContact OE2-OG 3.06Å; E377-R385 IonicContact OE1-NH2 3.62Å; E377-R385 PolarHBondContact OE1-NH2 3.4Å; E377-R385 IonicContact OE2-NH2 3.83Å
378S92.7Very high94.1Very high53 Ų5346.7 Ų46.737%0.37123%0.234SC..  trans-164.2161172.963.50000109.1A376 H380 S381 A382A376-S378 VanDerWaalsContact C-N 3.33Å; S378-H380 PolarHBondContact O-N 3.4Å; S378-S381 PolarHBondContact O-N 3.41Å; S378-S381 WeakPolarHBondContact OG-CB 3.23Å; S378-S381 PolarHBondContact OG-N 2.76Å; S378-A382 PolarHBondContact O-N 3.02Å
379F92Very high94.3Very high13 Ų1344.5 Ų44.56%0.05722%0.215CC..Hα-helixtrans-61.6-34.5174-58.8-36.7000112E192 L280 D285 F286 Y330 A382 K383E192-F379 HydrophobicContact CB-CE2 4.02Å; E192-F379 HydrophobicContact CG-CD2 4.34Å; E192-F379 HydrophobicContact CG-CE2 3.84Å; L280-F379 HydrophobicContact CD2-CE2 4.24Å; L280-F379 HydrophobicContact CD2-CZ 4.22Å; D285-F379 HydrophobicContact CB-CB 3.92Å; F286-F379 HydrophobicContact CB-CD2 4.03Å; F286-F379 HydrophobicContact CB-CE2 4.27Å; F286-F379 HydrophobicContact CB-CG 4.37Å; F286-F379 AromaticContact CD2-CD1 3.93Å; F286-F379 HydrophobicContact CD2-CD1 3.93Å; F286-F379 HydrophobicContact CD2-CD2 4.34Å; F286-F379 AromaticContact CD2-CE1 3.8Å; F286-F379 HydrophobicContact CD2-CE1 3.8Å; F286-F379 HydrophobicContact CD2-CE2 4.2Å; F286-F379 HydrophobicContact CD2-CG 4.22Å; F286-F379 AromaticContact CD2-CZ 3.95Å; F286-F379 HydrophobicContact CD2-CZ 3.95Å; F286-F379 HydrophobicContact CE2-CE1 4.3Å; Y330-F379 AromaticContact CD1-CE1 3.93Å; Y330-F379 HydrophobicContact CD1-CE1 3.93Å; Y330-F379 AromaticContact CD2-CE1 3.69Å; Y330-F379 HydrophobicContact CD2-CE1 3.69Å; Y330-F379 HydrophobicContact CD2-CZ 4.22Å; Y330-F379 HydrophobicContact CE1-CE1 4.22Å; Y330-F379 AromaticContact CE2-CE1 4Å; Y330-F379 HydrophobicContact CE2-CE1 4Å; Y330-F379 AromaticContact CG-CE1 3.64Å; Y330-F379 HydrophobicContact CG-CE1 3.64Å; Y330-F379 HydrophobicContact CG-CZ 4.01Å; F379-A382 PolarHBondContact O-N 3.11Å; F379-K383 WeakPolarHBondContact O-CB 3.35Å; F379-K383 PolarHBondContact O-N 3.29Å
380H91.2Very high94Very high94 Ų9439.3 Ų39.344%0.43520%0.195SC..Hα-helixtrans-60.9-49.6172.1-172.389.2000112.4S378 A382 K383 E384S378-H380 PolarHBondContact O-N 3.4Å; H380-A382 PolarHBondContact O-N 2.83Å; H380-K383 PolarHBondContact O-N 2.81Å; H380-E384 WeakPolarHBondContact O-CG 3.37Å; H380-E384 PolarHBondContact O-N 2.89Å
381S92.8Very high93.4Very high21 Ų2145.2 Ų45.215%0.14723%0.226CC..Hα-helixtrans-61.8-43.4177.8-179.80000111.3E377 S378 K383 E384 R385E377-S381 PolarHBondContact OE2-OG 3.06Å; S378-S381 PolarHBondContact O-N 3.41Å; S378-S381 WeakPolarHBondContact OG-CB 3.23Å; S378-S381 PolarHBondContact OG-N 2.76Å; S381-K383 PolarHBondContact O-N 3.22Å; S381-E384 PolarHBondContact O-N 2.89Å; S381-R385 WeakPolarHBondContact O-CB 3.31Å; S381-R385 VanDerWaalsContact O-CG 3.3Å; S381-R385 WeakPolarHBondContact O-CG 3.5Å; S381-R385 PolarHBondContact O-N 2.97Å; S381-R385 PolarHBondContact OG-NE 2.83Å
382A93.7Very high92.9Very high1 Ų145.3 Ų45.31%0.00823%0.229CC..Hα-helixtrans-60.3-43.4176.400000112.3F289 F354 A376 S378 F379 H380 R385 L386F289-A382 HydrophobicContact CD2-CB 4.2Å; F289-A382 HydrophobicContact CE2-CB 4.03Å; F354-A382 HydrophobicContact CD1-CB 3.98Å; F354-A382 HydrophobicContact CE1-CB 3.93Å; A376-A382 HydrophobicContact CB-CB 4.3Å; S378-A382 PolarHBondContact O-N 3.02Å; F379-A382 PolarHBondContact O-N 3.11Å; H380-A382 PolarHBondContact O-N 2.83Å; A382-R385 PolarHBondContact O-N 3.27Å; A382-L386 WeakPolarHBondContact O-CB 3.36Å; A382-L386 PolarHBondContact O-N 2.69Å
383K92.5Very high92.1Very high7 Ų745.1 Ų45.13%0.0323%0.227CC..Hα-helixtrans-61.2-48174.8179.9-17470.9-164.80112.6D285 Q288 F289 F379 H380 S381 R385 L386 R387D285-K383 IonicContact OD1-NZ 3.45Å; Q288-K383 HydrophobicContact CB-CD 3.87Å; F289-K383 HydrophobicContact CB-CB 4.28Å; F289-K383 HydrophobicContact CD2-CB 4.2Å; F379-K383 WeakPolarHBondContact O-CB 3.35Å; F379-K383 PolarHBondContact O-N 3.29Å; H380-K383 PolarHBondContact O-N 2.81Å; S381-K383 PolarHBondContact O-N 3.22Å; K383-R385 PolarHBondContact O-N 2.98Å; K383-L386 PolarHBondContact O-N 3.43Å; K383-R387 WeakPolarHBondContact O-CG 3.41Å; K383-R387 PolarHBondContact O-N 3.35Å
384E92.9Very high90.9Very high69 Ų6950.7 Ų50.732%0.32226%0.264SS..Hα-helixtrans-66.4-38.3-179.8-65.7-57.1119.400111.7H380 S381 R387 N388H380-E384 WeakPolarHBondContact O-CG 3.37Å; H380-E384 PolarHBondContact O-N 2.89Å; S381-E384 PolarHBondContact O-N 2.89Å; E384-R387 PolarHBondContact O-N 3.48Å; E384-R387 IonicContact OE1-CZ 2.94Å; E384-R387 IonicContact OE1-NH1 2.85Å; E384-R387 PolarHBondContact OE1-NH1 2.72Å; E384-N388 VanDerWaalsContact O-CG 3.27Å; E384-N388 PolarHBondContact O-N 3.19Å; E384-N388 PolarHBondContact O-ND2 2.93Å; E384-N388 VanDerWaalsContact O-ND2 3.16Å
385R94.5Very high89.7Confident98 Ų9853.7 Ų53.737%0.3728%0.275SS..Hα-helixtrans-62.1-46172.7-71.7173.9-175.3-92.95.1111.8F354 P356 E377 S381 A382 K383 R387 N388 W389F354-R385 HydrophobicContact CE1-CB 4.43Å; P356-R385 HydrophobicContact CG-CB 3.93Å; E377-R385 IonicContact OE1-NH2 3.62Å; E377-R385 PolarHBondContact OE1-NH2 3.4Å; E377-R385 IonicContact OE2-NH2 3.83Å; S381-R385 WeakPolarHBondContact O-CB 3.31Å; S381-R385 VanDerWaalsContact O-CG 3.3Å; S381-R385 WeakPolarHBondContact O-CG 3.5Å; S381-R385 PolarHBondContact O-N 2.97Å; S381-R385 PolarHBondContact OG-NE 2.83Å; A382-R385 PolarHBondContact O-N 3.27Å; K383-R385 PolarHBondContact O-N 2.98Å; R385-R387 PolarHBondContact O-N 3.43Å; R385-N388 PolarHBondContact O-N 3.45Å; R385-W389 WeakPolarHBondContact O-CB 3.32Å; R385-W389 PolarHBondContact O-N 3.39Å
386L92.4Very high88.5Confident1 Ų155 Ų551%0.00529%0.291CS..Hα-helixtrans-60.9-43.5177178.668.1000111.7F289 E292 I293 L311 A382 K383 W389 A390F289-L386 HydrophobicContact CD2-CD2 4.14Å; F289-L386 HydrophobicContact CE2-CB 4.29Å; F289-L386 HydrophobicContact CE2-CD2 3.82Å; E292-L386 HydrophobicContact CB-CD2 4.09Å; E292-L386 HydrophobicContact CG-CD2 4.17Å; I293-L386 HydrophobicContact CB-CD2 4.4Å; I293-L386 HydrophobicContact CD1-CD2 4.44Å; I293-L386 HydrophobicContact CG1-CD2 3.4Å; L311-L386 HydrophobicContact CD1-CD1 3.9Å; A382-L386 WeakPolarHBondContact O-CB 3.36Å; A382-L386 PolarHBondContact O-N 2.69Å; K383-L386 PolarHBondContact O-N 3.43Å; L386-W389 HydrophobicContact CD1-CE3 3.98Å; L386-W389 HydrophobicContact CD1-CZ3 4.35Å; L386-W389 PolarHBondContact O-N 2.91Å; L386-A390 WeakPolarHBondContact O-CB 3.43Å; L386-A390 PolarHBondContact O-N 2.75Å
387R89.5Confident87.4Confident79 Ų7955.5 Ų55.530%0.29829%0.293SS..Hα-helixtrans-59-47.4175.6-78.1177.1171.7159.9-0.5112.1E292 K383 E384 R385 W389 A390 L391E292-R387 VanDerWaalsContact CD-NE 3.34Å; E292-R387 HydrophobicContact CG-CG 3.71Å; E292-R387 IonicContact OE1-NE 2.87Å; E292-R387 IonicContact OE2-CZ 3.57Å; E292-R387 VanDerWaalsContact OE2-CZ 3.29Å; E292-R387 IonicContact OE2-NE 2.69Å; E292-R387 PolarHBondContact OE2-NE 2.89Å; E292-R387 IonicContact OE2-NH2 2.81Å; E292-R387 PolarHBondContact OE2-NH2 3.09Å; K383-R387 WeakPolarHBondContact O-CG 3.41Å; K383-R387 PolarHBondContact O-N 3.35Å; E384-R387 PolarHBondContact O-N 3.48Å; E384-R387 IonicContact OE1-CZ 2.94Å; E384-R387 IonicContact OE1-NH1 2.85Å; E384-R387 PolarHBondContact OE1-NH1 2.72Å; R385-R387 PolarHBondContact O-N 3.43Å; R387-W389 VanDerWaalsContact C-N 3.32Å; R387-W389 PolarHBondContact O-N 2.77Å; R387-A390 PolarHBondContact O-N 3.37Å; R387-L391 WeakPolarHBondContact O-CG 3.49Å; R387-L391 PolarHBondContact O-N 2.84Å
388N91.4Very high86.6Confident105 Ų10551.3 Ų51.356%0.56127%0.274SS*.Hα-helixtrans-62.7-40.9178.9-70.7-29.1000111.7E384 R385 L391E384-N388 VanDerWaalsContact O-CG 3.27Å; E384-N388 PolarHBondContact O-N 3.19Å; E384-N388 PolarHBondContact O-ND2 2.93Å; E384-N388 VanDerWaalsContact O-ND2 3.16Å; R385-N388 PolarHBondContact O-N 3.45Å; N388-L391 PolarHBondContact O-N 3.19Å
389W92.7Very high86.3Confident20 Ų2050 Ų508%0.07626%0.262CS..Hα-helixtrans-64.2-43173177.582.4000112K307 L308 L311 P356 E357 A360 R385 L386 R387 L391 S392 I393K307-W389 HydrophobicContact CB-CH2 3.97Å; K307-W389 HydrophobicContact CB-CZ2 3.98Å; K307-W389 HydrophobicContact CD-CZ2 4.29Å; L308-W389 HydrophobicContact CD2-CH2 4.19Å; L308-W389 HydrophobicContact CD2-CZ3 3.66Å; L308-W389 HydrophobicContact CG-CH2 4.27Å; L308-W389 HydrophobicContact CG-CZ3 4.21Å; L311-W389 HydrophobicContact CD1-CD2 4.18Å; L311-W389 HydrophobicContact CD1-CE3 3.74Å; L311-W389 HydrophobicContact CD1-CH2 3.53Å; L311-W389 HydrophobicContact CD1-CZ2 4Å; L311-W389 HydrophobicContact CD1-CZ3 3.39Å; P356-W389 HydrophobicContact CB-CB 3.62Å; P356-W389 HydrophobicContact CB-CD2 4.08Å; P356-W389 HydrophobicContact CB-CG 3.55Å; P356-W389 HydrophobicContact CG-CB 4.13Å; E357-W389 PolarHBondContact OE2-NE1 2.79Å; E357-W389 VanDerWaalsContact OE2-NE1 3.16Å; A360-W389 HydrophobicContact CB-CZ2 3.97Å; R385-W389 WeakPolarHBondContact O-CB 3.32Å; R385-W389 PolarHBondContact O-N 3.39Å; L386-W389 HydrophobicContact CD1-CE3 3.98Å; L386-W389 HydrophobicContact CD1-CZ3 4.35Å; L386-W389 PolarHBondContact O-N 2.91Å; R387-W389 VanDerWaalsContact C-N 3.32Å; R387-W389 PolarHBondContact O-N 2.77Å; W389-L391 PolarHBondContact O-N 2.76Å; W389-S392 WeakPolarHBondContact O-CB 3.46Å; W389-S392 PolarHBondContact O-N 3.37Å; W389-S392 PolarHBondContact O-OG 3.2Å; W389-I393 HydrophobicContact CD2-CD1 4.09Å; W389-I393 HydrophobicContact CE3-CD1 3.73Å; W389-I393 HydrophobicContact CH2-CD1 3.3Å; W389-I393 HydrophobicContact CH2-CG1 4.47Å; W389-I393 HydrophobicContact CZ2-CD1 3.68Å; W389-I393 HydrophobicContact CZ2-CG1 4.43Å; W389-I393 HydrophobicContact CZ3-CD1 3.32Å
390A86.9Confident86Confident1 Ų153.1 Ų53.11%0.00827%0.274CS..Hα-helixtrans-64.8-23.8177.900000113.8C296 L386 R387 S392 R395C296-A390 HydrophobicContact CB-CB 4.46Å; C296-A390 WeakPolarHBondContact SG-CB 3.48Å; L386-A390 WeakPolarHBondContact O-CB 3.43Å; L386-A390 PolarHBondContact O-N 2.75Å; R387-A390 PolarHBondContact O-N 3.37Å; A390-S392 VanDerWaalsContact C-N 3.31Å; A390-R395 PolarHBondContact O-NH2 3.33Å
391L85.8Confident86.1Confident126 Ų12650.1 Ų50.166%0.6626%0.259SS*.Hα-helixtrans-73.3-21.3172.2-70172.4000112.9R387 N388 W389 I393R387-L391 WeakPolarHBondContact O-CG 3.49Å; R387-L391 PolarHBondContact O-N 2.84Å; N388-L391 PolarHBondContact O-N 3.19Å; W389-L391 PolarHBondContact O-N 2.76Å; L391-I393 VanDerWaalsContact C-N 3.33Å
392S85.7Confident86Confident78 Ų7850.2 Ų50.255%0.54526%0.257SS..Hα-helixtrans-80.4-16.5176.279.70000112.8W389 A390W389-S392 WeakPolarHBondContact O-CB 3.46Å; W389-S392 PolarHBondContact O-N 3.37Å; W389-S392 PolarHBondContact O-OG 3.2Å; A390-S392 VanDerWaalsContact C-N 3.31Å
393I81.8Confident85.8Confident22 Ų2253.8 Ų53.811%0.11328%0.281CS..SBendtrans-83126.5-177.5-59.2170.9000110.6V304 W389 L391 R395V304-I393 HydrophobicContact CB-CG2 4.41Å; V304-I393 HydrophobicContact CG1-CD1 3.81Å; V304-I393 HydrophobicContact CG1-CG2 3.96Å; V304-I393 HydrophobicContact CG2-CG2 3.54Å; W389-I393 HydrophobicContact CD2-CD1 4.09Å; W389-I393 HydrophobicContact CE3-CD1 3.73Å; W389-I393 HydrophobicContact CH2-CD1 3.3Å; W389-I393 HydrophobicContact CH2-CG1 4.47Å; W389-I393 HydrophobicContact CZ2-CD1 3.68Å; W389-I393 HydrophobicContact CZ2-CG1 4.43Å; W389-I393 HydrophobicContact CZ3-CD1 3.32Å; L391-I393 VanDerWaalsContact C-N 3.33Å; I393-R395 HydrophobicContact CG2-CG 4.39Å; I393-R395 PolarHBondContact O-N 3.46Å; I393-R395 VanDerWaalsContact O-N 3.14Å
394P73.3Confident85.5Confident117 Ų11763.8 Ų63.876%0.7632%0.32SS*.  trans-59.2117.9172.8-22.733.3000111.4
395R74Confident85.3Confident65 Ų6564 Ų6425%0.24533%0.325CS..  trans-130.3139.9174.6-69-174.6-78.4178.4-4.3110.2A390 I393 F397A390-R395 PolarHBondContact O-NH2 3.33Å; I393-R395 HydrophobicContact CG2-CG 4.39Å; I393-R395 PolarHBondContact O-N 3.46Å; I393-R395 VanDerWaalsContact O-N 3.14Å; R395-F397 WeakPolarHBondContact CB-O 3.21Å; R395-F397 PolarHBondContact O-N 3.22Å
396A70.6Confident85Confident64 Ų6462.2 Ų62.253%0.52932%0.322SS..SBendtrans-69.1-23.4176.300000112.7V98V98-A396 HydrophobicContact CG2-CB 3.61Å
397F74.1Confident85Confident13 Ų1366.6 Ų66.66%0.05734%0.338CS..  trans-145.7150.9-177.8-50-91.8000110.2V98 R395 F399 L410V98-F397 HydrophobicContact CG2-CE2 3.94Å; R395-F397 WeakPolarHBondContact CB-O 3.21Å; R395-F397 PolarHBondContact O-N 3.22Å; F397-F399 HydrophobicContact CB-CE1 4.15Å; F397-F399 HydrophobicContact CB-CZ 4Å; F397-L410 HydrophobicContact CB-CD2 3.96Å; F397-L410 HydrophobicContact CD1-CB 4.17Å; F397-L410 HydrophobicContact CD1-CD2 3.36Å; F397-L410 HydrophobicContact CD1-CG 4.39Å; F397-L410 HydrophobicContact CD2-CD2 3.82Å; F397-L410 HydrophobicContact CE1-CD2 3.62Å; F397-L410 HydrophobicContact CE2-CD2 4.11Å; F397-L410 HydrophobicContact CG-CD2 3.46Å; F397-L410 VanDerWaalsContact CG-CD2 3.46Å; F397-L410 HydrophobicContact CZ-CD2 4.03Å
398N79Confident85Confident31 Ų3163.1 Ų63.117%0.16633%0.326CS..EExtended strand (participates in β ladder)trans-93.5148.4161.9-74.7-73.5000109.1L411 N413 I416N398-L411 HydrophobicContact CB-CB 4.17Å; N398-L411 PolarHBondContact N-O 3.29Å; N398-L411 PolarHBondContact O-N 3.41Å; N398-N413 PolarHBondContact ND2-OD1 3.02Å; N398-I416 HydrophobicContact CB-CD1 3.51Å; N398-I416 HydrophobicContact CB-CG1 4.27Å; N398-I416 VanDerWaalsContact CG-CD1 3.4Å; N398-I416 WeakPolarHBondContact ND2-CD1 3.24Å
399F85.8Confident84.7Confident25 Ų2560.1 Ų60.111%0.1131%0.308CS..EExtended strand (participates in β ladder)trans-115.1140.5-176.1-60.7-72.5000110.7F101 L295 L298 F397 V408 L410F101-F399 HydrophobicContact CD1-CZ 4.41Å; F101-F399 HydrophobicContact CD2-CE1 4.34Å; F101-F399 AromaticContact CE1-CE1 3.87Å; F101-F399 HydrophobicContact CE1-CE1 3.87Å; F101-F399 AromaticContact CE1-CZ 3.89Å; F101-F399 HydrophobicContact CE1-CZ 3.89Å; F101-F399 HydrophobicContact CE2-CD1 4.29Å; F101-F399 AromaticContact CE2-CE1 3.62Å; F101-F399 HydrophobicContact CE2-CE1 3.62Å; F101-F399 HydrophobicContact CE2-CZ 4.37Å; F101-F399 HydrophobicContact CZ-CD1 4.41Å; F101-F399 AromaticContact CZ-CE1 3.37Å; F101-F399 HydrophobicContact CZ-CE1 3.37Å; F101-F399 AromaticContact CZ-CZ 3.89Å; F101-F399 HydrophobicContact CZ-CZ 3.89Å; L295-F399 HydrophobicContact CD2-CB 4.15Å; L298-F399 HydrophobicContact CB-CD1 4.42Å; L298-F399 HydrophobicContact CB-CD2 3.96Å; L298-F399 HydrophobicContact CB-CE1 4.37Å; L298-F399 HydrophobicContact CB-CE2 3.92Å; L298-F399 HydrophobicContact CB-CG 4.21Å; L298-F399 HydrophobicContact CB-CZ 4.11Å; L298-F399 HydrophobicContact CD1-CB 4.34Å; L298-F399 HydrophobicContact CD1-CD1 4.37Å; L298-F399 HydrophobicContact CD1-CG 4.19Å; L298-F399 WeakPolarHBondContact O-CE2 3.28Å; L298-F399 WeakPolarHBondContact O-CZ 3.17Å; F397-F399 HydrophobicContact CB-CE1 4.15Å; F397-F399 HydrophobicContact CB-CZ 4Å; F399-V408 HydrophobicContact CB-CG1 3.95Å; F399-V408 HydrophobicContact CD1-CG1 3.52Å; F399-V408 HydrophobicContact CE1-CG1 4.45Å; F399-V408 HydrophobicContact CG-CG1 4.1Å; F399-L410 HydrophobicContact CE1-CD2 4.16Å; F399-L410 HydrophobicContact CE1-CG 4.18Å
400R86Confident84.2Confident79 Ų7961.1 Ų61.130%0.29832%0.315SS..EExtended strand (participates in β ladder)trans-129.1130.5167.8171.9-179.9170.4151.5-2.1108.7V408 E409 L411 D423R400-V408 WeakPolarHBondContact O-CA 3.44Å; R400-E409 PolarHBondContact N-O 3.07Å; R400-E409 PolarHBondContact O-N 3.35Å; R400-L411 HydrophobicContact CB-CD1 3.82Å; R400-L411 HydrophobicContact CB-CG 4.19Å; R400-D423 IonicContact CZ-OD2 2.7Å; R400-D423 IonicContact NH1-OD2 3.69Å; R400-D423 PolarHBondContact NH1-OD2 2.77Å; R400-D423 IonicContact NH2-OD2 3.99Å
401Y92.1Very high83.6Confident31 Ų3161.8 Ų61.812%0.12232%0.318CS..EExtended strand (participates in β ladder)trans-81.7126.5167-177.9-108.8000110.1A246 F247 P403 R407 V408A246-Y401 WeakPolarHBondContact O-CD2 3.5Å; F247-Y401 HydrophobicContact CB-CE2 4.33Å; F247-Y401 HydrophobicContact CD1-CD2 4.18Å; F247-Y401 AromaticContact CD1-CE2 3.61Å; F247-Y401 HydrophobicContact CD1-CE2 3.61Å; F247-Y401 HydrophobicContact CE1-CE2 4.22Å; F247-Y401 HydrophobicContact CG-CE2 4.25Å; Y401-P403 HydrophobicContact CD1-CB 4.35Å; Y401-P403 HydrophobicContact CE1-CB 3.94Å; Y401-P403 WeakPolarHBondContact O-CD 3.5Å; Y401-R407 WeakPolarHBondContact CA-O 3.38Å; Y401-V408 HydrophobicContact CD2-CG2 4.43Å
402D91.4Very high82.7Confident22 Ų2259.7 Ų59.712%0.11831%0.308CS..EExtended strand (participates in β ladder)trans-95.6109.4167.2174.421.6000109.6Y404 T405 Q406 R407 E409D402-Y404 PolarHBondContact O-N 3.02Å; D402-Y404 WeakPolarHBondContact OD1-CD2 3.36Å; D402-Y404 PolarHBondContact OD1-N 3.08Å; D402-T405 WeakPolarHBondContact OD2-CB 3.5Å; D402-T405 WeakPolarHBondContact OD2-CG2 3.43Å; D402-T405 PolarHBondContact OD2-N 3.26Å; D402-T405 PolarHBondContact OD2-OG1 2.98Å; D402-Q406 VanDerWaalsContact O-CA 3.26Å; D402-Q406 WeakPolarHBondContact O-CA 3.49Å; D402-Q406 PolarHBondContact O-N 3.45Å; D402-R407 PolarHBondContact N-O 2.7Å; D402-R407 PolarHBondContact O-N 3.37Å; D402-E409 HydrophobicContact CB-CG 4.29Å
403P89.1Confident81.7Confident77 Ų7761.2 Ų61.250%0.531%0.31SS..THydrogen-bonded Turntrans-68.9-20.8-179.229.4-35.7000113.4Y401Y401-P403 HydrophobicContact CD1-CB 4.35Å; Y401-P403 HydrophobicContact CE1-CB 3.94Å; Y401-P403 WeakPolarHBondContact O-CD 3.5Å
404Y87.4Confident80.6Confident217 Ų21763.5 Ų63.585%0.85133%0.332SS*.THydrogen-bonded Turntrans-74.7-42.9179.5-67.3-80.4000111.8D402D402-Y404 PolarHBondContact O-N 3.02Å; D402-Y404 WeakPolarHBondContact OD1-CD2 3.36Å; D402-Y404 PolarHBondContact OD1-N 3.08Å
405T87.4Confident80Confident72 Ų7260.4 Ų60.444%0.44231%0.307SS..THydrogen-bonded Turntrans-93.6-10.517862.50000113.4D402 R407D402-T405 WeakPolarHBondContact OD2-CB 3.5Å; D402-T405 WeakPolarHBondContact OD2-CG2 3.43Å; D402-T405 PolarHBondContact OD2-N 3.26Å; D402-T405 PolarHBondContact OD2-OG1 2.98Å; T405-R407 VanDerWaalsContact C-N 3.32Å; T405-R407 WeakPolarHBondContact O-CG 3.41Å
406Q89.5Confident79.4Confident62 Ų6259.9 Ų59.929%0.2931%0.309SS..THydrogen-bonded Turntrans55.545.5-173.8-57.8-178.8-34.800112.4I105 D402I105-Q406 HydrophobicContact CB-CB 4.17Å; I105-Q406 HydrophobicContact CG2-CB 3.8Å; I105-Q406 PolarHBondContact N-O 2.92Å; I105-Q406 VanDerWaalsContact N-O 3.15Å; D402-Q406 VanDerWaalsContact O-CA 3.26Å; D402-Q406 WeakPolarHBondContact O-CA 3.49Å; D402-Q406 PolarHBondContact O-N 3.45Å
407R91Very high78.9Confident92 Ų9262.8 Ų62.835%0.34732%0.315SS..EExtended strand (participates in β ladder)trans-126.8150-177.1-62.7-175.3-179.1-158.10.3111.8Q103 K104 Y401 D402 T405Q103-R407 CarbonylContact O-C 3.58Å; Q103-R407 VanDerWaalsContact O-CA 3.3Å; Q103-R407 WeakPolarHBondContact O-CA 3.3Å; K104-R407 HydrophobicContact CG-CG 4.12Å; Y401-R407 WeakPolarHBondContact CA-O 3.38Å; D402-R407 PolarHBondContact N-O 2.7Å; D402-R407 PolarHBondContact O-N 3.37Å; T405-R407 VanDerWaalsContact C-N 3.32Å; T405-R407 WeakPolarHBondContact O-CG 3.41Å
408V90.1Very high78.2Confident7 Ų766.1 Ų66.14%0.04234%0.34CS..EExtended strand (participates in β ladder)trans-87.2123.1164.3173.30000108.1Q103 F247 L298 F399 R400 Y401Q103-V408 PolarHBondContact O-N 3.24Å; F247-V408 HydrophobicContact CE1-CG2 3.89Å; F247-V408 HydrophobicContact CE2-CG2 3.86Å; F247-V408 HydrophobicContact CZ-CB 4.26Å; F247-V408 HydrophobicContact CZ-CG2 3.39Å; L298-V408 HydrophobicContact CD1-CB 4.13Å; L298-V408 HydrophobicContact CD1-CG1 3.62Å; L298-V408 HydrophobicContact CD1-CG2 3.54Å; F399-V408 HydrophobicContact CB-CG1 3.95Å; F399-V408 HydrophobicContact CD1-CG1 3.52Å; F399-V408 HydrophobicContact CE1-CG1 4.45Å; F399-V408 HydrophobicContact CG-CG1 4.1Å; R400-V408 WeakPolarHBondContact O-CA 3.44Å; Y401-V408 HydrophobicContact CD2-CG2 4.43Å
409E84.9Confident77.3Confident42 Ų4268 Ų6820%0.19635%0.345CS..EExtended strand (participates in β ladder)trans-97.7132.8173.7-52.3-173.9131.600109.3R51 R400 D402 R419R51-E409 IonicContact CZ-OE2 3.83Å; R51-E409 IonicContact NH2-OE1 3.88Å; R51-E409 PolarHBondContact NH2-OE1 2.97Å; R51-E409 IonicContact NH2-OE2 3.15Å; R51-E409 PolarHBondContact NH2-OE2 3.14Å; R400-E409 PolarHBondContact N-O 3.07Å; R400-E409 PolarHBondContact O-N 3.35Å; D402-E409 HydrophobicContact CB-CG 4.29Å; E409-R419 IonicContact OE2-CZ 3.79Å; E409-R419 IonicContact OE2-NH1 2.84Å; E409-R419 PolarHBondContact OE2-NH1 3.38Å; E409-R419 IonicContact OE2-NH2 3.99Å
410L82.3Confident76.1Confident40 Ų4073.4 Ų73.421%0.20937%0.368CS..EExtended strand (participates in β ladder)trans-80.3129.7169.3-5899.9000109I18 F101 F397 F399I18-L410 HydrophobicContact CD1-CD1 4.45Å; F101-L410 HydrophobicContact CZ-CD2 3.95Å; F101-L410 HydrophobicContact CZ-CG 4.38Å; F397-L410 HydrophobicContact CB-CD2 3.96Å; F397-L410 HydrophobicContact CD1-CB 4.17Å; F397-L410 HydrophobicContact CD1-CD2 3.36Å; F397-L410 HydrophobicContact CD1-CG 4.39Å; F397-L410 HydrophobicContact CD2-CD2 3.82Å; F397-L410 HydrophobicContact CE1-CD2 3.62Å; F397-L410 HydrophobicContact CE2-CD2 4.11Å; F397-L410 HydrophobicContact CG-CD2 3.46Å; F397-L410 VanDerWaalsContact CG-CD2 3.46Å; F397-L410 HydrophobicContact CZ-CD2 4.03Å; F399-L410 HydrophobicContact CE1-CD2 4.16Å; F399-L410 HydrophobicContact CE1-CG 4.18Å
411L74.1Confident75Confident15 Ų1573 Ų738%0.07938%0.375CS..EExtended strand (participates in β ladder)trans-110130.6175.1-57.2-176.7000109.4N398 R400 I416N398-L411 HydrophobicContact CB-CB 4.17Å; N398-L411 PolarHBondContact N-O 3.29Å; N398-L411 PolarHBondContact O-N 3.41Å; R400-L411 HydrophobicContact CB-CD1 3.82Å; R400-L411 HydrophobicContact CB-CG 4.19Å; L411-I416 HydrophobicContact CB-CG1 3.9Å; L411-I416 HydrophobicContact CD1-CG1 4.04Å
412D68Low74Confident83 Ų8377.5 Ų77.544%0.44440%0.396SS..  trans-80.7154.8161.9-165.48.2000110.1A414 E415 I416D412-A414 PolarHBondContact O-N 3.06Å; D412-A414 VanDerWaalsContact O-N 3.13Å; D412-E415 WeakPolarHBondContact O-CB 3.12Å; D412-E415 PolarHBondContact O-N 3.49Å; D412-I416 PolarHBondContact O-N 3.15Å
413N63.6Low72.8Confident109 Ų10978.8 Ų78.858%0.58340%0.403SS*.Hα-helixtrans-56.2-34.8-172.7-74.2-24.1000113.1N398N398-N413 PolarHBondContact ND2-OD1 3.02Å
414A59.1Low71.9Confident71 Ų7178.7 Ų78.759%0.58740%0.398SS*.Hα-helixtrans-67.6-34.6175.900000113D412 S418D412-A414 PolarHBondContact O-N 3.06Å; D412-A414 VanDerWaalsContact O-N 3.13Å; A414-S418 PolarHBondContact O-N 3.15Å
415E60.7Low70.7Confident52 Ų5276.7 Ų76.724%0.24339%0.389CS..Hα-helixtrans-71.5-33.3-179.3-64.3-164.9163.800112.4R51 D412 L417 S418 R419R51-E415 VanDerWaalsContact CB-OE1 3.25Å; R51-E415 WeakPolarHBondContact CB-OE1 3.33Å; R51-E415 VanDerWaalsContact CD-OE1 3.31Å; R51-E415 WeakPolarHBondContact CD-OE1 3.19Å; R51-E415 WeakPolarHBondContact CD-OE2 3.15Å; R51-E415 IonicContact CZ-OE2 3.45Å; R51-E415 IonicContact NH1-OE2 3.53Å; R51-E415 PolarHBondContact NH1-OE2 2.96Å; D412-E415 WeakPolarHBondContact O-CB 3.12Å; D412-E415 PolarHBondContact O-N 3.49Å; E415-L417 VanDerWaalsContact C-N 3.31Å; E415-L417 PolarHBondContact O-N 3.39Å; E415-S418 PolarHBondContact O-N 3.33Å; E415-R419 WeakPolarHBondContact O-CB 3.48Å; E415-R419 PolarHBondContact O-N 3.42Å
416I61.5Low69.8Low53 Ų5375.1 Ų75.127%0.27238%0.381SS..Hα-helixtrans-56.1-49.7177.5-60.9169.3000109.6N398 L411 D412 R419 F420N398-I416 HydrophobicContact CB-CD1 3.51Å; N398-I416 HydrophobicContact CB-CG1 4.27Å; N398-I416 VanDerWaalsContact CG-CD1 3.4Å; N398-I416 WeakPolarHBondContact ND2-CD1 3.24Å; L411-I416 HydrophobicContact CB-CG1 3.9Å; L411-I416 HydrophobicContact CD1-CG1 4.04Å; D412-I416 PolarHBondContact O-N 3.15Å; I416-R419 PolarHBondContact O-N 2.99Å; I416-F420 VanDerWaalsContact O-CB 3.26Å; I416-F420 WeakPolarHBondContact O-CB 3.4Å; I416-F420 PolarHBondContact O-N 2.94Å
417L59.4Low68.4Low125 Ų12578.8 Ų78.865%0.65440%0.396SS*.Hα-helixtrans-62.2-48.1-178.9-70.3172.3000111.9E415 R419 F420 V421E415-L417 VanDerWaalsContact C-N 3.31Å; E415-L417 PolarHBondContact O-N 3.39Å; L417-R419 VanDerWaalsContact C-N 3.34Å; L417-R419 PolarHBondContact O-N 3.34Å; L417-F420 PolarHBondContact O-N 2.94Å; L417-V421 VanDerWaalsContact O-CG2 3.3Å; L417-V421 WeakPolarHBondContact O-CG2 3.41Å; L417-V421 PolarHBondContact O-N 3.47Å
418S59.3Low66.5Low84 Ų8478.4 Ų78.459%0.58740%0.401SS*.Hα-helixtrans-60.7-43.5-179.3-177.30000112A414 E415 V421 H422A414-S418 PolarHBondContact O-N 3.15Å; E415-S418 PolarHBondContact O-N 3.33Å; S418-V421 PolarHBondContact O-N 3.47Å; S418-H422 PolarHBondContact O-N 3.31Å
419R59.9Low64.7Low70 Ų7081.1 Ų81.126%0.26442%0.423SS..Hα-helixtrans-75.4-36-179.9-75179.2166.8-150.9-6.7113.1R51 E409 E415 I416 L417 V421 H422 D423R51-R419 VanDerWaalsContact NH1-NH1 3.17Å; R51-R419 VanDerWaalsContact NH2-NH1 3.17Å; E409-R419 IonicContact OE2-CZ 3.79Å; E409-R419 IonicContact OE2-NH1 2.84Å; E409-R419 PolarHBondContact OE2-NH1 3.38Å; E409-R419 IonicContact OE2-NH2 3.99Å; E415-R419 WeakPolarHBondContact O-CB 3.48Å; E415-R419 PolarHBondContact O-N 3.42Å; I416-R419 PolarHBondContact O-N 2.99Å; L417-R419 VanDerWaalsContact C-N 3.34Å; L417-R419 PolarHBondContact O-N 3.34Å; R419-V421 VanDerWaalsContact C-N 3.25Å; R419-V421 PolarHBondContact O-N 3Å; R419-H422 CarbonylContact O-C 3.06Å; R419-H422 WeakPolarHBondContact O-CA 3.45Å; R419-H422 PolarHBondContact O-N 3.22Å; R419-D423 WeakPolarHBondContact O-CB 3.44Å; R419-D423 PolarHBondContact O-N 3.47Å
420F61.8Low63Low139 Ų13986.5 Ų86.561%0.6145%0.446SS*.Hα-helixtrans-60.4-41.2173.7-154.7-100.1000110.4I416 L417 D423 I424I416-F420 VanDerWaalsContact O-CB 3.26Å; I416-F420 WeakPolarHBondContact O-CB 3.4Å; I416-F420 PolarHBondContact O-N 2.94Å; L417-F420 PolarHBondContact O-N 2.94Å; F420-D423 PolarHBondContact O-N 3.16Å; F420-I424 HydrophobicContact CD1-CD1 3.49Å; F420-I424 VanDerWaalsContact CD1-CD1 3.49Å; F420-I424 HydrophobicContact CD1-CG1 4.25Å; F420-I424 HydrophobicContact CE1-CD1 3.55Å; F420-I424 HydrophobicContact CE1-CG1 4.32Å; F420-I424 WeakPolarHBondContact O-CB 3.31Å; F420-I424 VanDerWaalsContact O-CG1 3.25Å; F420-I424 WeakPolarHBondContact O-CG1 3.28Å; F420-I424 PolarHBondContact O-N 2.9Å
421V63.4Low61.4Low71 Ų7191 Ų9143%0.4347%0.466SS..Hα-helixtrans-62-42.5171.7172.60000111.5L417 S418 R419 R425L417-V421 VanDerWaalsContact O-CG2 3.3Å; L417-V421 WeakPolarHBondContact O-CG2 3.41Å; L417-V421 PolarHBondContact O-N 3.47Å; S418-V421 PolarHBondContact O-N 3.47Å; R419-V421 VanDerWaalsContact C-N 3.25Å; R419-V421 PolarHBondContact O-N 3Å; V421-R425 WeakPolarHBondContact O-CB 3.14Å; V421-R425 WeakPolarHBondContact O-CG 3.35Å; V421-R425 PolarHBondContact O-N 3.47Å
422H69.3Low60.2Low124 Ų12496.9 Ų96.957%0.57449%0.491SS*.Hα-helixtrans-66.4-42.7177.3-171.682.4000113.1S418 R419 R425 S426S418-H422 PolarHBondContact O-N 3.31Å; R419-H422 CarbonylContact O-C 3.06Å; R419-H422 WeakPolarHBondContact O-CA 3.45Å; R419-H422 PolarHBondContact O-N 3.22Å; H422-R425 CarbonylContact O-C 3.57Å; H422-R425 WeakPolarHBondContact O-CB 3.39Å; H422-R425 PolarHBondContact O-N 3.07Å; H422-S426 WeakPolarHBondContact O-CB 3.35Å; H422-S426 PolarHBondContact O-N 2.87Å; H422-S426 PolarHBondContact O-OG 3.18Å
423D67.7Low59.2Low50 Ų5096.8 Ų96.827%0.26749%0.494SS..Hα-helixtrans-70.5-36.7-179.9-75.5-22.3000111.4R400 R419 F420 S426 K427R400-D423 IonicContact CZ-OD2 2.7Å; R400-D423 IonicContact NH1-OD2 3.69Å; R400-D423 PolarHBondContact NH1-OD2 2.77Å; R400-D423 IonicContact NH2-OD2 3.99Å; R419-D423 WeakPolarHBondContact O-CB 3.44Å; R419-D423 PolarHBondContact O-N 3.47Å; F420-D423 PolarHBondContact O-N 3.16Å; D423-S426 WeakPolarHBondContact CA-OG 3.26Å; D423-S426 PolarHBondContact O-N 3.01Å; D423-S426 PolarHBondContact O-OG 3.07Å; D423-S426 VanDerWaalsContact O-OG 3.1Å; D423-K427 VanDerWaalsContact O-CB 3.28Å; D423-K427 WeakPolarHBondContact O-CB 3.42Å; D423-K427 WeakPolarHBondContact O-CG 3.2Å; D423-K427 PolarHBondContact O-N 2.81Å
424I68.8Low58.4Low75 Ų7595.5 Ų95.539%0.38549%0.492SS..Hα-helixtrans-62.4-46.8168.9-71.6171.1000109.9F420 S426 K427 N428F420-I424 HydrophobicContact CD1-CD1 3.49Å; F420-I424 VanDerWaalsContact CD1-CD1 3.49Å; F420-I424 HydrophobicContact CD1-CG1 4.25Å; F420-I424 HydrophobicContact CE1-CD1 3.55Å; F420-I424 HydrophobicContact CE1-CG1 4.32Å; F420-I424 WeakPolarHBondContact O-CB 3.31Å; F420-I424 VanDerWaalsContact O-CG1 3.25Å; F420-I424 WeakPolarHBondContact O-CG1 3.28Å; F420-I424 PolarHBondContact O-N 2.9Å; I424-S426 VanDerWaalsContact C-N 3.33Å; I424-S426 PolarHBondContact O-N 3.39Å; I424-K427 PolarHBondContact O-N 3.29Å; I424-N428 WeakPolarHBondContact CG2-ND2 3.26Å; I424-N428 WeakPolarHBondContact O-CB 3.2Å; I424-N428 PolarHBondContact O-N 3.14Å; I424-N428 PolarHBondContact O-ND2 3.25Å
425R63Low58Low175 Ų17595.6 Ų95.666%0.6649%0.493SS*.Hα-helixtrans-60.7-41.9177.4-77.5174.9179.7-1751.6111.5V421 H422 A429V421-R425 WeakPolarHBondContact O-CB 3.14Å; V421-R425 WeakPolarHBondContact O-CG 3.35Å; V421-R425 PolarHBondContact O-N 3.47Å; H422-R425 CarbonylContact O-C 3.57Å; H422-R425 WeakPolarHBondContact O-CB 3.39Å; H422-R425 PolarHBondContact O-N 3.07Å; R425-A429 WeakPolarHBondContact O-CA 3.49Å; R425-A429 WeakPolarHBondContact O-CB 3.32Å; R425-A429 PolarHBondContact O-N 3.07Å
426S67.9Low57.4Low39 Ų39100.8 Ų100.827%0.27352%0.517SS..Hα-helixtrans-72.9-39.8-179.2760000112.3H422 D423 I424 K430H422-S426 WeakPolarHBondContact O-CB 3.35Å; H422-S426 PolarHBondContact O-N 2.87Å; H422-S426 PolarHBondContact O-OG 3.18Å; D423-S426 WeakPolarHBondContact CA-OG 3.26Å; D423-S426 PolarHBondContact O-N 3.01Å; D423-S426 PolarHBondContact O-OG 3.07Å; D423-S426 VanDerWaalsContact O-OG 3.1Å; I424-S426 VanDerWaalsContact C-N 3.33Å; I424-S426 PolarHBondContact O-N 3.39Å; S426-K430 VanDerWaalsContact O-CB 3.3Å; S426-K430 WeakPolarHBondContact O-CB 3.47Å; S426-K430 WeakPolarHBondContact O-CG 3.4Å; S426-K430 PolarHBondContact O-N 3.28Å
427K59.8Low56.3Low138 Ų138105.2 Ų105.260%0.654%0.541SS*.Hα-helixtrans-64.3-46.9173.5-77179.4177.4-178.40111.1D423 I424 K430 H431D423-K427 VanDerWaalsContact O-CB 3.28Å; D423-K427 WeakPolarHBondContact O-CB 3.42Å; D423-K427 WeakPolarHBondContact O-CG 3.2Å; D423-K427 PolarHBondContact O-N 2.81Å; I424-K427 PolarHBondContact O-N 3.29Å; K427-K430 PolarHBondContact O-N 3.25Å; K427-H431 WeakPolarHBondContact O-CB 3.13Å; K427-H431 PolarHBondContact O-N 2.65Å; K427-H431 PolarHBondContact O-ND1 2.93Å
428N51.1Low55.4Low85 Ų85108.4 Ų108.446%0.45557%0.565SS.*Hα-helixtrans-67.9-41.3178.6-70.7-12.1000111.9I424 K430 F432I424-N428 WeakPolarHBondContact CG2-ND2 3.26Å; I424-N428 WeakPolarHBondContact O-CB 3.2Å; I424-N428 PolarHBondContact O-N 3.14Å; I424-N428 PolarHBondContact O-ND2 3.25Å; N428-K430 VanDerWaalsContact C-N 3.33Å; N428-K430 PolarHBondContact O-N 3.5Å; N428-F432 WeakPolarHBondContact O-CB 3.34Å; N428-F432 PolarHBondContact O-N 2.79Å
429A53Low55.2Low63 Ų63109.7 Ų109.752%0.52156%0.564SS.*Hα-helixtrans-78.8-9.6-179.200000114.6R425 T433R425-A429 WeakPolarHBondContact O-CA 3.49Å; R425-A429 WeakPolarHBondContact O-CB 3.32Å; R425-A429 PolarHBondContact O-N 3.07Å; A429-T433 PolarHBondContact O-OG1 3.48Å
430K49.5Very low54.9Low155 Ų155111.7 Ų111.767%0.67458%0.58SS**Hα-helixtrans-105.6-32.7172.9-71-175.3177.5-176.80113.1S426 K427 N428S426-K430 VanDerWaalsContact O-CB 3.3Å; S426-K430 WeakPolarHBondContact O-CB 3.47Å; S426-K430 WeakPolarHBondContact O-CG 3.4Å; S426-K430 PolarHBondContact O-N 3.28Å; K427-K430 PolarHBondContact O-N 3.25Å; N428-K430 VanDerWaalsContact C-N 3.33Å; N428-K430 PolarHBondContact O-N 3.5Å
431H49.1Very low54.5Low135 Ų135110.2 Ų110.263%0.62558%0.578SS**Hα-helixtrans-87-30.1-178.3-73.181.9000113.8K427 A435K427-H431 WeakPolarHBondContact O-CB 3.13Å; K427-H431 PolarHBondContact O-N 2.65Å; K427-H431 PolarHBondContact O-ND1 2.93Å; H431-A435 WeakPolarHBondContact O-CB 3.33Å
432F48.3Very low54Low138 Ų138112.5 Ų112.561%0.60559%0.587SS**Hα-helixtrans-88.4-29.4-179.2-77.5-84.1000114.3N428 Q436N428-F432 WeakPolarHBondContact O-CB 3.34Å; N428-F432 PolarHBondContact O-N 2.79Å; F432-Q436 WeakPolarHBondContact O-CG 3.45Å; F432-Q436 PolarHBondContact O-OE1 3.42Å
433T48Very low53Low82 Ų82111.8 Ų111.850%0.50359%0.588SS.*Hα-helixtrans-88.1-31.3-178.2400000113.5A429 L437A429-T433 PolarHBondContact O-OG1 3.48Å; T433-L437 WeakPolarHBondContact O-CD1 3.37Å
434C44.9Very low52.1Low81 Ų81115.9 Ų115.955%0.54761%0.609SS.*Hα-helixtrans-91.2-30.6178-690000113.6Q436 L437C434-Q436 PolarHBondContact O-N 3.47Å; C434-L437 PolarHBondContact O-N 3.11Å; C434-L437 VanDerWaalsContact O-N 3.1Å
435A52.3Low50.9Low74 Ų74118.9 Ų118.961%0.61263%0.625SS**THydrogen-bonded Turntrans-74.7-5.817700000113.5H431H431-A435 WeakPolarHBondContact O-CB 3.33Å
436Q47.6Very low49.9Very low160 Ų160114.5 Ų114.575%0.74862%0.623SS**THydrogen-bonded Turntrans-942.3169.4-71-176-32.400112.9F432 C434F432-Q436 WeakPolarHBondContact O-CG 3.45Å; F432-Q436 PolarHBondContact O-OE1 3.42Å; C434-Q436 PolarHBondContact O-N 3.47Å
437L39.2Very low48.5Very low147 Ų147120.8 Ų120.877%0.7765%0.652SS**  trans-115.514.4-176.1-78.3168.1000114.4T433 C434T433-L437 WeakPolarHBondContact O-CD1 3.37Å; C434-L437 PolarHBondContact O-N 3.11Å; C434-L437 VanDerWaalsContact O-N 3.1Å
438V38.8Very low47.4Very low192 Ų192119.3 Ų119.3100%1.16466%0.657SS**  trans-134.60167.4-169.70000107.7

Retrieved 438 of 438 residues in 284.1 ms (Link to these results)

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