A0A077Z747_TRITR Loading...

Mitochondrial ornithine transporter

AlphaFold DB , UniProt , Accession A0A077Z747, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 323 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
1M51.3Low70.7Confident186 Ų18699.9 Ų99.992%0.91656%0.56SS**  0-69.30-111.7176.478.900114.8S3 E4 V5M1-S3 PolarHBondContact O-N 3.34Å; M1-E4 PolarHBondContact N-OE2 2.98Å; M1-V5 WeakPolarHBondContact O-CG2 3.32Å; M1-V5 PolarHBondContact O-N 3.39Å
2S69.2Low70.7Confident102 Ų102100.3 Ų100.371%0.71356%0.56SS**Hα-helixtrans-67.9-33.1-174.6-161.30000114.3V6S2-V6 WeakPolarHBondContact O-CG2 3.44Å; S2-V6 PolarHBondContact O-N 2.87Å
3S69.1Low70.6Confident90 Ų90107 Ų10763%0.62957%0.571SS**Hα-helixtrans-73.2-41.1179.4-162.70000112.4M1 V6 V7M1-S3 PolarHBondContact O-N 3.34Å; S3-V6 PolarHBondContact O-N 3.45Å; S3-V7 VanDerWaalsContact O-CG2 3.25Å; S3-V7 WeakPolarHBondContact O-CG2 3.47Å; S3-V7 PolarHBondContact O-N 3.47Å
4E66.2Low70.1Confident131 Ų131103.2 Ų103.261%0.61255%0.548SS*.Hα-helixtrans-66.1-42.8-179.9-70156.9136.900111.6M1 V6 V7 E8M1-E4 PolarHBondContact N-OE2 2.98Å; E4-V6 VanDerWaalsContact C-N 3.28Å; E4-V6 PolarHBondContact O-N 2.91Å; E4-V7 PolarHBondContact O-N 2.98Å; E4-E8 VanDerWaalsContact O-CB 3.26Å; E4-E8 WeakPolarHBondContact O-CB 3.27Å; E4-E8 PolarHBondContact O-N 3.13Å
5V78.8Confident69.5Low88 Ų88103.9 Ų103.953%0.53355%0.549SS..Hα-helixtrans-64.3-35.4177.2175.80000111.3M1 A9M1-V5 WeakPolarHBondContact O-CG2 3.32Å; M1-V5 PolarHBondContact O-N 3.39Å; V5-A9 WeakPolarHBondContact O-CB 3.37Å; V5-A9 PolarHBondContact O-N 2.86Å
6V76.9Confident69Low73 Ų73111.7 Ų111.744%0.44257%0.568SS.*Hα-helixtrans-68.6-46.8175171.70000110.6S2 S3 E4 E8 A9 E10S2-V6 WeakPolarHBondContact O-CG2 3.44Å; S2-V6 PolarHBondContact O-N 2.87Å; S3-V6 PolarHBondContact O-N 3.45Å; E4-V6 VanDerWaalsContact C-N 3.28Å; E4-V6 PolarHBondContact O-N 2.91Å; V6-E8 VanDerWaalsContact C-N 3.33Å; V6-E8 PolarHBondContact O-N 2.97Å; V6-A9 PolarHBondContact O-N 3.21Å; V6-E10 HydrophobicContact CG1-CG 4.49Å; V6-E10 WeakPolarHBondContact O-CB 3.33Å; V6-E10 WeakPolarHBondContact O-CG 3.37Å; V6-E10 PolarHBondContact O-N 3.35Å
7V74.2Confident68.8Low82 Ų82110.7 Ų110.750%0.49757%0.569SS.*Hα-helixtrans-60.4-44.1176.81710000110.8S3 E4 E10 L11S3-V7 VanDerWaalsContact O-CG2 3.25Å; S3-V7 WeakPolarHBondContact O-CG2 3.47Å; S3-V7 PolarHBondContact O-N 3.47Å; E4-V7 PolarHBondContact O-N 2.98Å; V7-E10 PolarHBondContact O-N 3.45Å; V7-L11 VanDerWaalsContact O-CB 3.26Å; V7-L11 WeakPolarHBondContact O-CB 3.35Å; V7-L11 PolarHBondContact O-N 2.9Å
8E74.5Confident68.5Low119 Ų119107.2 Ų107.256%0.55657%0.565SS**Hα-helixtrans-67.1-39.2178.6-165.3173.7-165.800111.6E4 V6 L11 L12E4-E8 VanDerWaalsContact O-CB 3.26Å; E4-E8 WeakPolarHBondContact O-CB 3.27Å; E4-E8 PolarHBondContact O-N 3.13Å; V6-E8 VanDerWaalsContact C-N 3.33Å; V6-E8 PolarHBondContact O-N 2.97Å; E8-L11 PolarHBondContact O-N 2.9Å; E8-L12 HydrophobicContact CG-CD1 4.33Å; E8-L12 VanDerWaalsContact O-CB 3.29Å; E8-L12 WeakPolarHBondContact O-CB 3.46Å; E8-L12 WeakPolarHBondContact O-CG 3.42Å; E8-L12 PolarHBondContact O-N 3.26Å
9A75Confident68.4Low44 Ų44102.2 Ų102.236%0.36454%0.539SS..Hα-helixtrans-67.8-37.7174.700000112.6V5 V6 R13V5-A9 WeakPolarHBondContact O-CB 3.37Å; V5-A9 PolarHBondContact O-N 2.86Å; V6-A9 PolarHBondContact O-N 3.21Å; A9-R13 WeakPolarHBondContact O-CB 3.31Å; A9-R13 VanDerWaalsContact O-CG 3.22Å; A9-R13 WeakPolarHBondContact O-CG 3.06Å; A9-R13 PolarHBondContact O-N 2.89Å
10E73.5Confident68.6Low111 Ų11199.6 Ų99.652%0.51952%0.523SS..Hα-helixtrans-65.5-47.7172.7-77.7-179.8165.900110.9V6 V7 L12 R13 E14V6-E10 HydrophobicContact CG1-CG 4.49Å; V6-E10 WeakPolarHBondContact O-CB 3.33Å; V6-E10 WeakPolarHBondContact O-CG 3.37Å; V6-E10 PolarHBondContact O-N 3.35Å; V7-E10 PolarHBondContact O-N 3.45Å; E10-L12 PolarHBondContact O-N 2.99Å; E10-R13 WeakPolarHBondContact O-CB 3.34Å; E10-R13 PolarHBondContact O-N 3.4Å; E10-R13 VanDerWaalsContact O-N 3.12Å; E10-E14 WeakPolarHBondContact O-CG 3.48Å; E10-E14 PolarHBondContact O-N 3.36Å
11L68.7Low69Low73 Ų7397 Ų9738%0.38252%0.52SS..Hα-helixtrans-57.1-48.3176-161.685.7000111.2V7 E8 R13 E14 M15 F20V7-L11 VanDerWaalsContact O-CB 3.26Å; V7-L11 WeakPolarHBondContact O-CB 3.35Å; V7-L11 PolarHBondContact O-N 2.9Å; E8-L11 PolarHBondContact O-N 2.9Å; L11-R13 VanDerWaalsContact C-N 3.33Å; L11-R13 PolarHBondContact O-N 2.78Å; L11-E14 PolarHBondContact O-N 2.98Å; L11-M15 HydrophobicContact CG-SD 4.5Å; L11-M15 VanDerWaalsContact O-CB 3.32Å; L11-M15 WeakPolarHBondContact O-CB 3.28Å; L11-M15 VanDerWaalsContact O-CG 3.23Å; L11-M15 WeakPolarHBondContact O-CG 3.4Å; L11-M15 PolarHBondContact O-N 3.18Å; L11-F20 HydrophobicContact CD1-CD2 4.21Å; L11-F20 HydrophobicContact CD1-CE2 3.27Å; L11-F20 HydrophobicContact CD1-CZ 3.54Å; L11-F20 HydrophobicContact CG-CE2 4.16Å; L11-F20 HydrophobicContact CG-CZ 4.29Å
12L70.7Confident70.4Confident105 Ų10591.7 Ų91.755%0.5550%0.495SS..Hα-helixtrans-63.3-37.6177-75169.8000112E8 E10 R16E8-L12 HydrophobicContact CG-CD1 4.33Å; E8-L12 VanDerWaalsContact O-CB 3.29Å; E8-L12 WeakPolarHBondContact O-CB 3.46Å; E8-L12 WeakPolarHBondContact O-CG 3.42Å; E8-L12 PolarHBondContact O-N 3.26Å; E10-L12 PolarHBondContact O-N 2.99Å; L12-R16 WeakPolarHBondContact O-CB 3.49Å; L12-R16 PolarHBondContact O-N 2.87Å; L12-R16 VanDerWaalsContact O-N 3.13Å
13R70.3Confident71Confident187 Ų18789.5 Ų89.571%0.70647%0.472SS*.Hα-helixtrans-65.6-48.5174.4-80.6174.9-180-175.21.8111.4A9 E10 L11 R16 T17A9-R13 WeakPolarHBondContact O-CB 3.31Å; A9-R13 VanDerWaalsContact O-CG 3.22Å; A9-R13 WeakPolarHBondContact O-CG 3.06Å; A9-R13 PolarHBondContact O-N 2.89Å; E10-R13 WeakPolarHBondContact O-CB 3.34Å; E10-R13 PolarHBondContact O-N 3.4Å; E10-R13 VanDerWaalsContact O-N 3.12Å; L11-R13 VanDerWaalsContact C-N 3.33Å; L11-R13 PolarHBondContact O-N 2.78Å; R13-R16 WeakPolarHBondContact O-CB 3.49Å; R13-R16 PolarHBondContact O-N 2.87Å; R13-R16 VanDerWaalsContact O-N 3.16Å; R13-T17 PolarHBondContact O-N 3.47Å; R13-T17 VanDerWaalsContact O-N 3.13Å; R13-T17 PolarHBondContact O-OG1 3.24Å
14E63Low71.6Confident54 Ų5490.1 Ų90.125%0.25246%0.464SS..Hα-helixtrans-66.2-37.2179.8-67.7-169143.700112.1E10 L11 R16 T17 G18 F20 R23E10-E14 WeakPolarHBondContact O-CG 3.48Å; E10-E14 PolarHBondContact O-N 3.36Å; L11-E14 PolarHBondContact O-N 2.98Å; E14-R16 VanDerWaalsContact C-N 3.27Å; E14-R16 PolarHBondContact O-N 3.32Å; E14-T17 PolarHBondContact O-N 3.5Å; E14-T17 PolarHBondContact O-OG1 3.03Å; E14-T17 VanDerWaalsContact O-OG1 3.1Å; E14-G18 PolarHBondContact O-N 2.91Å; E14-F20 VanDerWaalsContact C-CB 3.44Å; E14-F20 HydrophobicContact CB-CB 3.77Å; E14-F20 HydrophobicContact CB-CD2 4Å; E14-F20 HydrophobicContact CB-CG 4.33Å; E14-F20 VanDerWaalsContact O-CB 3.29Å; E14-F20 WeakPolarHBondContact O-CB 3.24Å; E14-F20 PolarHBondContact O-N 3.38Å; E14-F20 VanDerWaalsContact O-N 3.15Å; E14-F20 WeakPolarHBondContact OE2-CD2 3.45Å; E14-R23 IonicContact OE1-CZ 3.72Å; E14-R23 IonicContact OE1-NH1 3.37Å; E14-R23 PolarHBondContact OE1-NH1 3.32Å
15M60.7Low72.4Confident113 Ų11389.2 Ų89.256%0.55746%0.463SS*.Hα-helixtrans-62.4-37.2173.3-77.6-176.972.300111.2L11 F20L11-M15 HydrophobicContact CG-SD 4.5Å; L11-M15 VanDerWaalsContact O-CB 3.32Å; L11-M15 WeakPolarHBondContact O-CB 3.28Å; L11-M15 VanDerWaalsContact O-CG 3.23Å; L11-M15 WeakPolarHBondContact O-CG 3.4Å; L11-M15 PolarHBondContact O-N 3.18Å; M15-F20 HydrophobicContact CG-CB 4.39Å; M15-F20 HydrophobicContact CG-CD1 3.81Å; M15-F20 HydrophobicContact CG-CE1 4.23Å; M15-F20 HydrophobicContact CG-CG 4.08Å
16R61.9Low72.9Confident229 Ų22986.6 Ų86.686%0.86445%0.446SS*.Hα-helixtrans-73.6-29.8-179.2-153.5177.2-160.3-179.35.5113L12 R13 E14L12-R16 WeakPolarHBondContact O-CB 3.49Å; L12-R16 PolarHBondContact O-N 2.87Å; L12-R16 VanDerWaalsContact O-N 3.13Å; R13-R16 WeakPolarHBondContact O-CB 3.49Å; R13-R16 PolarHBondContact O-N 2.87Å; R13-R16 VanDerWaalsContact O-N 3.16Å; E14-R16 VanDerWaalsContact C-N 3.27Å; E14-R16 PolarHBondContact O-N 3.32Å
17T66.4Low73.3Confident95 Ų9585 Ų8558%0.58344%0.435SS*.Hα-helixtrans-85.1-9.1178.457.40000113.6R13 E14 T19R13-T17 PolarHBondContact O-N 3.47Å; R13-T17 VanDerWaalsContact O-N 3.13Å; R13-T17 PolarHBondContact O-OG1 3.24Å; E14-T17 PolarHBondContact O-N 3.5Å; E14-T17 PolarHBondContact O-OG1 3.03Å; E14-T17 VanDerWaalsContact O-OG1 3.1Å; T17-T19 PolarHBondContact O-N 3.35Å; T17-T19 VanDerWaalsContact O-N 3.14Å; T17-T19 WeakPolarHBondContact OG1-CB 3.08Å; T17-T19 PolarHBondContact OG1-N 3.47Å; T17-T19 PolarHBondContact OG1-OG1 3.02Å
18G63.1Low73.8Confident48 Ų4883 Ų8350%0.49543%0.431SS..SBendtrans71.9-6.5-172.600000113.8E14 F20 G21E14-G18 PolarHBondContact O-N 2.91Å; G18-F20 VanDerWaalsContact C-N 3.28Å; G18-F20 PolarHBondContact O-N 2.79Å; G18-G21 PolarHBondContact O-N 2.97Å
19T66.9Low74.5Confident12 Ų1280.6 Ų80.67%0.07442%0.424CS..Hα-helixtrans-59.4-39.8174.6-57.50000111.3T17 G21 L22 R23 H322T17-T19 PolarHBondContact O-N 3.35Å; T17-T19 VanDerWaalsContact O-N 3.14Å; T17-T19 WeakPolarHBondContact OG1-CB 3.08Å; T17-T19 PolarHBondContact OG1-N 3.47Å; T17-T19 PolarHBondContact OG1-OG1 3.02Å; T19-G21 VanDerWaalsContact C-N 3.35Å; T19-G21 PolarHBondContact O-N 2.95Å; T19-L22 PolarHBondContact O-N 3.03Å; T19-R23 HydrophobicContact CG2-CG 4.12Å; T19-R23 WeakPolarHBondContact O-CG 3.42Å; T19-R23 PolarHBondContact O-N 3.43Å; T19-H322 WeakPolarHBondContact CB-O 3.34Å; T19-H322 HydrophobicContact CG2-CB 3.75Å; T19-H322 WeakPolarHBondContact CG2-O 3.48Å; T19-H322 PolarHBondContact OG1-O 3.33Å
20F72.5Confident75.2Confident50 Ų5078.7 Ų78.722%0.21941%0.408CS..Hα-helixtrans-53.9-51.1-179.8-171.3-109.9000111.8L11 E14 M15 G18 L22 R23 H24L11-F20 HydrophobicContact CD1-CD2 4.21Å; L11-F20 HydrophobicContact CD1-CE2 3.27Å; L11-F20 HydrophobicContact CD1-CZ 3.54Å; L11-F20 HydrophobicContact CG-CE2 4.16Å; L11-F20 HydrophobicContact CG-CZ 4.29Å; E14-F20 VanDerWaalsContact C-CB 3.44Å; E14-F20 HydrophobicContact CB-CB 3.77Å; E14-F20 HydrophobicContact CB-CD2 4Å; E14-F20 HydrophobicContact CB-CG 4.33Å; E14-F20 VanDerWaalsContact O-CB 3.29Å; E14-F20 WeakPolarHBondContact O-CB 3.24Å; E14-F20 PolarHBondContact O-N 3.38Å; E14-F20 VanDerWaalsContact O-N 3.15Å; E14-F20 WeakPolarHBondContact OE2-CD2 3.45Å; M15-F20 HydrophobicContact CG-CB 4.39Å; M15-F20 HydrophobicContact CG-CD1 3.81Å; M15-F20 HydrophobicContact CG-CE1 4.23Å; M15-F20 HydrophobicContact CG-CG 4.08Å; G18-F20 VanDerWaalsContact C-N 3.28Å; G18-F20 PolarHBondContact O-N 2.79Å; F20-L22 VanDerWaalsContact C-N 3.32Å; F20-L22 PolarHBondContact O-N 3.47Å; F20-R23 PolarHBondContact O-N 3.31Å; F20-H24 AromaticContact CD1-CD2 3.67Å; F20-H24 AromaticContact CD2-CD2 3.77Å; F20-H24 AromaticContact CD2-NE2 3.59Å; F20-H24 AromaticContact CE1-CD2 3.48Å; F20-H24 VanDerWaalsContact CE1-CD2 3.48Å; F20-H24 WeakPolarHBondContact CE1-CD2 3.42Å; F20-H24 AromaticContact CE1-NE2 3.51Å; F20-H24 AromaticContact CE2-CD2 3.58Å; F20-H24 AromaticContact CE2-NE2 2.97Å; F20-H24 WeakPolarHBondContact CE2-NE2 3.41Å; F20-H24 AromaticContact CG-CD2 3.81Å; F20-H24 AromaticContact CZ-CD2 3.44Å; F20-H24 VanDerWaalsContact CZ-CD2 3.44Å; F20-H24 WeakPolarHBondContact CZ-CD2 3.33Å; F20-H24 AromaticContact CZ-NE2 2.93Å; F20-H24 WeakPolarHBondContact CZ-NE2 3.08Å; F20-H24 PolarHBondContact O-CD2 3.22Å; F20-H24 PolarHBondContact O-N 3.02Å
21G77.2Confident75.8Confident45 Ų4576 Ų7646%0.46440%0.397SS..Hα-helixtrans-62.5-38-179.300000112.9G18 T19 L25G18-G21 PolarHBondContact O-N 2.97Å; T19-G21 VanDerWaalsContact C-N 3.35Å; T19-G21 PolarHBondContact O-N 2.95Å; G21-L25 VanDerWaalsContact O-CB 3.3Å; G21-L25 WeakPolarHBondContact O-CB 3.29Å; G21-L25 PolarHBondContact O-N 3.08Å
22L80.4Confident76.6Confident75 Ų7579.5 Ų79.539%0.39341%0.41SS..Hα-helixtrans-69.7-42178.5-175.365.8000112.2T19 F20 L25 L26 H322T19-L22 PolarHBondContact O-N 3.03Å; F20-L22 VanDerWaalsContact C-N 3.32Å; F20-L22 PolarHBondContact O-N 3.47Å; L22-L25 PolarHBondContact O-N 2.98Å; L22-L26 VanDerWaalsContact O-CB 3.27Å; L22-L26 WeakPolarHBondContact O-CB 3.23Å; L22-L26 PolarHBondContact O-N 2.91Å; L22-H322 VanDerWaalsContact CD2-CD2 3.48Å; L22-H322 WeakPolarHBondContact CD2-CD2 3.34Å
23R82.2Confident77.6Confident56 Ų5678 Ų7821%0.21140%0.401CS..Hα-helixtrans-61.2-48.7176.3-72.2-177.5172.4-168.6-9.9110.9E14 T19 F20 L25 L26 D27 Y319E14-R23 IonicContact OE1-CZ 3.72Å; E14-R23 IonicContact OE1-NH1 3.37Å; E14-R23 PolarHBondContact OE1-NH1 3.32Å; T19-R23 HydrophobicContact CG2-CG 4.12Å; T19-R23 WeakPolarHBondContact O-CG 3.42Å; T19-R23 PolarHBondContact O-N 3.43Å; F20-R23 PolarHBondContact O-N 3.31Å; R23-L25 VanDerWaalsContact C-N 3.34Å; R23-L25 PolarHBondContact O-N 3.4Å; R23-L26 WeakPolarHBondContact O-CB 3.26Å; R23-L26 PolarHBondContact O-N 3.34Å; R23-L26 VanDerWaalsContact O-N 3.15Å; R23-D27 PolarHBondContact O-N 2.89Å; R23-Y319 HydrophobicContact CB-CD1 4.39Å; R23-Y319 HydrophobicContact CB-CE1 3.99Å; R23-Y319 HydrophobicContact CG-CD1 3.74Å; R23-Y319 HydrophobicContact CG-CE1 3.86Å; R23-Y319 PolarHBondContact NH2-O 2.96Å
24H80.5Confident78.4Confident103 Ų10369.1 Ų69.148%0.47737%0.368SS..Hα-helixtrans-61.7-39.6176.1-78.2-63.5000113.5F20 L26 G28F20-H24 AromaticContact CD1-CD2 3.67Å; F20-H24 AromaticContact CD2-CD2 3.77Å; F20-H24 AromaticContact CD2-NE2 3.59Å; F20-H24 AromaticContact CE1-CD2 3.48Å; F20-H24 VanDerWaalsContact CE1-CD2 3.48Å; F20-H24 WeakPolarHBondContact CE1-CD2 3.42Å; F20-H24 AromaticContact CE1-NE2 3.51Å; F20-H24 AromaticContact CE2-CD2 3.58Å; F20-H24 AromaticContact CE2-NE2 2.97Å; F20-H24 WeakPolarHBondContact CE2-NE2 3.41Å; F20-H24 AromaticContact CG-CD2 3.81Å; F20-H24 AromaticContact CZ-CD2 3.44Å; F20-H24 VanDerWaalsContact CZ-CD2 3.44Å; F20-H24 WeakPolarHBondContact CZ-CD2 3.33Å; F20-H24 AromaticContact CZ-NE2 2.93Å; F20-H24 WeakPolarHBondContact CZ-NE2 3.08Å; F20-H24 PolarHBondContact O-CD2 3.22Å; F20-H24 PolarHBondContact O-N 3.02Å; H24-L26 VanDerWaalsContact C-N 3.35Å; H24-G28 PolarHBondContact O-N 3.35Å
25L84.2Confident79.5Confident112 Ų11268.2 Ų68.259%0.58637%0.373SS*.Hα-helixtrans-63.1-43.9174.2179.465.1000111.2G21 L22 R23 G28 V29G21-L25 VanDerWaalsContact O-CB 3.3Å; G21-L25 WeakPolarHBondContact O-CB 3.29Å; G21-L25 PolarHBondContact O-N 3.08Å; L22-L25 PolarHBondContact O-N 2.98Å; R23-L25 VanDerWaalsContact C-N 3.34Å; R23-L25 PolarHBondContact O-N 3.4Å; L25-G28 PolarHBondContact O-N 3.32Å; L25-V29 WeakPolarHBondContact O-CG2 3.25Å; L25-V29 PolarHBondContact O-N 3.1Å
26L87.5Confident80.8Confident32 Ų3266.3 Ų66.317%0.16837%0.368CS..Hα-helixtrans-64.6-46.4179.7-176.261.9000111.5L22 R23 H24 G28 V29 I30 C315 L318 Y319L22-L26 VanDerWaalsContact O-CB 3.27Å; L22-L26 WeakPolarHBondContact O-CB 3.23Å; L22-L26 PolarHBondContact O-N 2.91Å; R23-L26 WeakPolarHBondContact O-CB 3.26Å; R23-L26 PolarHBondContact O-N 3.34Å; R23-L26 VanDerWaalsContact O-N 3.15Å; H24-L26 VanDerWaalsContact C-N 3.35Å; L26-G28 VanDerWaalsContact C-N 3.33Å; L26-G28 PolarHBondContact O-N 3.26Å; L26-V29 PolarHBondContact O-N 2.82Å; L26-I30 HydrophobicContact CD1-CD1 4.49Å; L26-I30 HydrophobicContact CG-CD1 4.19Å; L26-I30 VanDerWaalsContact O-CG1 3.26Å; L26-I30 WeakPolarHBondContact O-CG1 3.35Å; L26-I30 PolarHBondContact O-N 3.48Å; L26-C315 HydrophobicContact CD1-CB 4.4Å; L26-C315 HydrophobicContact CD2-CB 4.07Å; L26-C315 HydrophobicContact CG-CB 4.47Å; L26-L318 HydrophobicContact CD2-CB 4.22Å; L26-Y319 HydrophobicContact CD2-CD2 3.94Å; L26-Y319 HydrophobicContact CD2-CE1 4.38Å; L26-Y319 HydrophobicContact CD2-CE2 3.44Å; L26-Y319 VanDerWaalsContact CD2-CE2 3.44Å; L26-Y319 HydrophobicContact CG-CE2 4.14Å
27D86.6Confident82.2Confident40 Ų4056.8 Ų56.821%0.21434%0.338CS..Hα-helixtrans-57.7-46172.5-79-52.1000111.2R23 V29 I30 D31 R312 Y319R23-D27 PolarHBondContact O-N 2.89Å; D27-V29 VanDerWaalsContact C-N 3.34Å; D27-V29 PolarHBondContact O-N 3.05Å; D27-I30 PolarHBondContact O-N 3.38Å; D27-D31 WeakPolarHBondContact O-CB 3.49Å; D27-D31 PolarHBondContact O-N 3.42Å; D27-R312 IonicContact OD1-NH2 3.21Å; D27-Y319 PolarHBondContact OD1-OH 3.46Å; D27-Y319 PolarHBondContact OD2-OH 3.45Å; D27-Y319 VanDerWaalsContact OD2-OH 3.13Å
28G84.1Confident83.3Confident41 Ų4152.2 Ų52.242%0.42331%0.31SS..Hα-helixtrans-59.7-40.3176.200000113.4H24 L25 L26 F32H24-G28 PolarHBondContact O-N 3.35Å; L25-G28 PolarHBondContact O-N 3.32Å; L26-G28 VanDerWaalsContact C-N 3.33Å; L26-G28 PolarHBondContact O-N 3.26Å; G28-F32 VanDerWaalsContact O-CB 3.25Å; G28-F32 WeakPolarHBondContact O-CB 3.29Å; G28-F32 PolarHBondContact O-N 2.93Å
29V88.6Confident84.4Confident68 Ų6850.8 Ų50.841%0.41230%0.295SS..Hα-helixtrans-67.5-43.2175.4169.90000111.2L25 L26 D27 F32 I33L25-V29 WeakPolarHBondContact O-CG2 3.25Å; L25-V29 PolarHBondContact O-N 3.1Å; L26-V29 PolarHBondContact O-N 2.82Å; D27-V29 VanDerWaalsContact C-N 3.34Å; D27-V29 PolarHBondContact O-N 3.05Å; V29-F32 PolarHBondContact O-N 2.84Å; V29-I33 HydrophobicContact CG1-CD1 3.83Å; V29-I33 VanDerWaalsContact O-CG1 3.3Å; V29-I33 WeakPolarHBondContact O-CG1 3.18Å; V29-I33 PolarHBondContact O-N 3.27Å
30I89.3Confident85.6Confident4 Ų452.8 Ų52.82%0.02131%0.307CS..Hα-helixtrans-60.5-48.8177.3-70.3172.2000110.2L26 D27 F32 I33 A34 Q308 L311 R312 C315L26-I30 HydrophobicContact CD1-CD1 4.49Å; L26-I30 HydrophobicContact CG-CD1 4.19Å; L26-I30 VanDerWaalsContact O-CG1 3.26Å; L26-I30 WeakPolarHBondContact O-CG1 3.35Å; L26-I30 PolarHBondContact O-N 3.48Å; D27-I30 PolarHBondContact O-N 3.38Å; I30-F32 VanDerWaalsContact C-N 3.32Å; I30-F32 PolarHBondContact O-N 2.93Å; I30-I33 PolarHBondContact O-N 3.3Å; I30-A34 VanDerWaalsContact O-CB 3.28Å; I30-A34 WeakPolarHBondContact O-CB 3.34Å; I30-A34 PolarHBondContact O-N 3.44Å; I30-Q308 HydrophobicContact CG2-CB 4.45Å; I30-Q308 HydrophobicContact CG2-CG 3.86Å; I30-L311 HydrophobicContact CB-CB 4.49Å; I30-L311 HydrophobicContact CD1-CB 4.39Å; I30-L311 HydrophobicContact CG1-CB 3.98Å; I30-L311 HydrophobicContact CG2-CB 3.95Å; I30-L311 HydrophobicContact CG2-CD1 4.32Å; I30-R312 HydrophobicContact CD1-CG 4.01Å; I30-R312 HydrophobicContact CG2-CG 4.18Å; I30-C315 HydrophobicContact CD1-CB 4.25Å
31D86.6Confident86.6Confident54 Ų5451.7 Ų51.729%0.28931%0.307SS..Hα-helixtrans-65.9-36-179.3-71.6-23.9000111.7D27 G35 Y304 Q308D27-D31 WeakPolarHBondContact O-CB 3.49Å; D27-D31 PolarHBondContact O-N 3.42Å; D31-G35 PolarHBondContact O-N 3.15Å; D31-Y304 PolarHBondContact OD1-OH 3.4Å; D31-Y304 VanDerWaalsContact OD1-OH 3.14Å; D31-Q308 PolarHBondContact OD1-NE2 2.82Å
32F85.9Confident87.1Confident147 Ų14750.1 Ų50.165%0.64529%0.29SS*.Hα-helixtrans-63.3-46.6173.3175.9-98.7000112.5G28 V29 I30 G35 T36G28-F32 VanDerWaalsContact O-CB 3.25Å; G28-F32 WeakPolarHBondContact O-CB 3.29Å; G28-F32 PolarHBondContact O-N 2.93Å; V29-F32 PolarHBondContact O-N 2.84Å; I30-F32 VanDerWaalsContact C-N 3.32Å; I30-F32 PolarHBondContact O-N 2.93Å; F32-G35 PolarHBondContact O-N 3.41Å; F32-T36 WeakPolarHBondContact O-CB 3.48Å; F32-T36 PolarHBondContact O-N 3.29Å; F32-T36 PolarHBondContact O-OG1 3.07Å
33I90.9Very high87.5Confident74 Ų7447.3 Ų47.338%0.37928%0.276SS..Hα-helixtrans-67-44.5179.1-65.1167.2000110.3V29 I30 T36 A37 V307 L311V29-I33 HydrophobicContact CG1-CD1 3.83Å; V29-I33 VanDerWaalsContact O-CG1 3.3Å; V29-I33 WeakPolarHBondContact O-CG1 3.18Å; V29-I33 PolarHBondContact O-N 3.27Å; I30-I33 PolarHBondContact O-N 3.3Å; I33-T36 PolarHBondContact O-N 3.13Å; I33-A37 WeakPolarHBondContact O-CB 3.39Å; I33-A37 PolarHBondContact O-N 3.48Å; I33-V307 HydrophobicContact CG2-CG1 3.99Å; I33-L311 HydrophobicContact CB-CD1 3.89Å; I33-L311 HydrophobicContact CD1-CD1 4.18Å; I33-L311 HydrophobicContact CG2-CD1 3.78Å
34A88.4Confident87.9Confident0 Ų048.8 Ų48.80%028%0.282CS..Hα-helixtrans-61.2-44.2176.300000111.5I30 T36 A37 G38 Y304 V307 Q308I30-A34 VanDerWaalsContact O-CB 3.28Å; I30-A34 WeakPolarHBondContact O-CB 3.34Å; I30-A34 PolarHBondContact O-N 3.44Å; A34-T36 PolarHBondContact O-N 2.9Å; A34-A37 PolarHBondContact O-N 2.7Å; A34-G38 PolarHBondContact O-N 2.91Å; A34-Y304 HydrophobicContact CB-CD2 3.53Å; A34-Y304 HydrophobicContact CB-CE2 3.69Å; A34-Y304 HydrophobicContact CB-CG 4.18Å; A34-V307 HydrophobicContact CB-CB 4.29Å; A34-V307 HydrophobicContact CB-CG1 4.15Å; A34-Q308 HydrophobicContact CB-CB 3.83Å
35G85.2Confident88.4Confident35 Ų3545.6 Ų45.636%0.36127%0.274SS..Hα-helixtrans-61.8-42.117600000112.3D31 F32 G38 G39D31-G35 PolarHBondContact O-N 3.15Å; F32-G35 PolarHBondContact O-N 3.41Å; G35-G38 PolarHBondContact O-N 2.95Å; G35-G39 PolarHBondContact O-N 2.84Å
36T89.1Confident88.6Confident72 Ų7240.3 Ų40.344%0.44225%0.246SC..Hα-helixtrans-62.4-46.8175.1-59.50000111.3F32 I33 A34 G38 G39 V40F32-T36 WeakPolarHBondContact O-CB 3.48Å; F32-T36 PolarHBondContact O-N 3.29Å; F32-T36 PolarHBondContact O-OG1 3.07Å; I33-T36 PolarHBondContact O-N 3.13Å; A34-T36 PolarHBondContact O-N 2.9Å; T36-G38 VanDerWaalsContact C-N 3.33Å; T36-G38 PolarHBondContact O-N 3.12Å; T36-G39 PolarHBondContact O-N 3.09Å; T36-V40 WeakPolarHBondContact O-CG2 3.42Å; T36-V40 PolarHBondContact O-N 3.04Å
37A90.6Very high88.5Confident29 Ų2939 Ų3924%0.2424%0.239CC..Hα-helixtrans-62.3-40.9177.100000112I33 A34 V40 A41 V307I33-A37 WeakPolarHBondContact O-CB 3.39Å; I33-A37 PolarHBondContact O-N 3.48Å; A34-A37 PolarHBondContact O-N 2.7Å; A37-V40 PolarHBondContact O-N 3.25Å; A37-A41 WeakPolarHBondContact O-CB 3.48Å; A37-A41 PolarHBondContact O-N 3.32Å; A37-V307 HydrophobicContact CB-CB 4.34Å; A37-V307 HydrophobicContact CB-CG1 4.45Å; A37-V307 HydrophobicContact CB-CG2 3.76Å
38G88.9Confident88.7Confident0 Ų038.1 Ų38.10%024%0.236CC..Hα-helixtrans-57.7-50172.400000112.3A34 G35 T36 V40 A41 A42 L300A34-G38 PolarHBondContact O-N 2.91Å; G35-G38 PolarHBondContact O-N 2.95Å; T36-G38 VanDerWaalsContact C-N 3.33Å; T36-G38 PolarHBondContact O-N 3.12Å; G38-V40 VanDerWaalsContact C-N 3.33Å; G38-V40 PolarHBondContact O-N 3.41Å; G38-A41 PolarHBondContact O-N 3.36Å; G38-A42 WeakPolarHBondContact O-CB 3.44Å; G38-A42 PolarHBondContact O-N 3.41Å; G38-L300 WeakPolarHBondContact CA-O 3.41Å; G38-L300 WeakPolarHBondContact O-CA 3.5Å
39G87.7Confident88.9Confident18 Ų1837.9 Ų37.919%0.18622%0.224CC..Hα-helixtrans-59.9-41.2177.600000113G35 T36 V43G35-G39 PolarHBondContact O-N 2.84Å; T36-G39 PolarHBondContact O-N 3.09Å; G39-V43 WeakPolarHBondContact O-CG2 3.43Å; G39-V43 PolarHBondContact O-N 3.06Å
40V91.9Very high88.7Confident54 Ų5436.1 Ų36.133%0.32721%0.213SC..Hα-helixtrans-63-50.3174.1172.70000110.7T36 A37 G38 A42 V43 Y44 L90T36-V40 WeakPolarHBondContact O-CG2 3.42Å; T36-V40 PolarHBondContact O-N 3.04Å; A37-V40 PolarHBondContact O-N 3.25Å; G38-V40 VanDerWaalsContact C-N 3.33Å; G38-V40 PolarHBondContact O-N 3.41Å; V40-A42 VanDerWaalsContact C-N 3.31Å; V40-A42 PolarHBondContact O-N 2.96Å; V40-V43 PolarHBondContact O-N 3.28Å; V40-Y44 HydrophobicContact CG1-CD2 3.76Å; V40-Y44 HydrophobicContact CG1-CE2 3.87Å; V40-Y44 VanDerWaalsContact O-CD2 3.32Å; V40-Y44 WeakPolarHBondContact O-CD2 3.32Å; V40-Y44 PolarHBondContact O-N 3.27Å; V40-Y44 VanDerWaalsContact O-N 3.09Å; V40-L90 HydrophobicContact CG2-CD1 4.09Å; V40-L90 HydrophobicContact CG2-CD2 4.16Å
41A91.8Very high88.4Confident26 Ų2636.7 Ų36.722%0.21522%0.217CC..Hα-helixtrans-59.3-41.9-179.500000112.1A37 G38 V43 Y44 A45 A299 A303A37-A41 WeakPolarHBondContact O-CB 3.48Å; A37-A41 PolarHBondContact O-N 3.32Å; G38-A41 PolarHBondContact O-N 3.36Å; A41-V43 PolarHBondContact O-N 3.21Å; A41-Y44 PolarHBondContact O-N 2.85Å; A41-A45 VanDerWaalsContact O-CB 3.24Å; A41-A45 WeakPolarHBondContact O-CB 3.42Å; A41-A45 PolarHBondContact O-N 2.84Å; A41-A299 HydrophobicContact CB-CB 4.28Å; A41-A299 WeakPolarHBondContact CB-O 3.33Å; A41-A303 HydrophobicContact CB-CB 3.47Å; A41-A303 VanDerWaalsContact CB-CB 3.47Å
42A88.7Confident88.4Confident13 Ų1334.2 Ų34.211%0.10720%0.203CC..Hα-helixtrans-57.1-48.1176.800000112.3G38 V40 A45 G46 A296 L300G38-A42 WeakPolarHBondContact O-CB 3.44Å; G38-A42 PolarHBondContact O-N 3.41Å; V40-A42 VanDerWaalsContact C-N 3.31Å; V40-A42 PolarHBondContact O-N 2.96Å; A42-A45 PolarHBondContact O-N 3.19Å; A42-G46 PolarHBondContact O-N 3.47Å; A42-A296 WeakPolarHBondContact CA-O 3.32Å; A42-A296 HydrophobicContact CB-CB 4.27Å; A42-A296 WeakPolarHBondContact CB-O 3.31Å; A42-A296 WeakPolarHBondContact O-CB 3.46Å; A42-L300 HydrophobicContact CB-CB 4Å; A42-L300 HydrophobicContact CB-CD1 4.22Å
43V88.4Confident88.4Confident16 Ų1628 Ų2810%0.09718%0.176CC..Hα-helixtrans-63.7-47.4-179.9172.10000110.7G39 V40 A41 A45 G46 Q47 A89 L90 N93G39-V43 WeakPolarHBondContact O-CG2 3.43Å; G39-V43 PolarHBondContact O-N 3.06Å; V40-V43 PolarHBondContact O-N 3.28Å; A41-V43 PolarHBondContact O-N 3.21Å; V43-A45 PolarHBondContact O-N 2.96Å; V43-G46 PolarHBondContact O-N 3.41Å; V43-Q47 VanDerWaalsContact O-CB 3.31Å; V43-Q47 WeakPolarHBondContact O-CB 3.38Å; V43-Q47 PolarHBondContact O-N 3.17Å; V43-A89 HydrophobicContact CG1-CB 4.42Å; V43-L90 HydrophobicContact CB-CD1 4.08Å; V43-L90 HydrophobicContact CG1-CB 3.93Å; V43-L90 HydrophobicContact CG1-CD1 4.41Å; V43-L90 HydrophobicContact CG2-CD1 3.82Å; V43-N93 HydrophobicContact CG2-CB 4.22Å
44Y91Very high87.8Confident86 Ų8626 Ų2634%0.33717%0.167SC..Hα-helixtrans-69.4-33.1-179.5-80.8-83.5000113V40 A41 Y83 L90V40-Y44 HydrophobicContact CG1-CD2 3.76Å; V40-Y44 HydrophobicContact CG1-CE2 3.87Å; V40-Y44 VanDerWaalsContact O-CD2 3.32Å; V40-Y44 WeakPolarHBondContact O-CD2 3.32Å; V40-Y44 PolarHBondContact O-N 3.27Å; V40-Y44 VanDerWaalsContact O-N 3.09Å; A41-Y44 PolarHBondContact O-N 2.85Å; Y44-Y83 AromaticContact CD1-CD1 3.78Å; Y44-Y83 HydrophobicContact CD1-CD1 3.78Å; Y44-Y83 AromaticContact CD1-CE1 3.81Å; Y44-Y83 HydrophobicContact CD1-CE1 3.81Å; Y44-Y83 HydrophobicContact CE1-CD1 4.36Å; Y44-Y83 WeakPolarHBondContact O-CE1 3.16Å; Y44-Y83 PolarHBondContact O-OH 3.16Å; Y44-Y83 VanDerWaalsContact O-OH 3.12Å; Y44-L90 HydrophobicContact CE2-CD2 4.26Å
45A90.5Very high87.4Confident37 Ų3727.5 Ų27.531%0.30617%0.174SC..Hα-helixtrans-70.1-38.3174.600000112A41 A42 V43 A299A41-A45 VanDerWaalsContact O-CB 3.24Å; A41-A45 WeakPolarHBondContact O-CB 3.42Å; A41-A45 PolarHBondContact O-N 2.84Å; A42-A45 PolarHBondContact O-N 3.19Å; V43-A45 PolarHBondContact O-N 2.96Å; A45-A299 HydrophobicContact CB-CB 3.37Å
46G88.2Confident87.3Confident0 Ų026.3 Ų26.30%016%0.159CC..Hα-helixtrans-79.5-23.3179.900000114.9A42 V43 L49 D50A42-G46 PolarHBondContact O-N 3.47Å; V43-G46 PolarHBondContact O-N 3.41Å; G46-L49 PolarHBondContact O-N 3.04Å; G46-D50 PolarHBondContact O-N 3.01Å
47Q86.9Confident86.7Confident6 Ų623.7 Ų23.73%0.02814%0.142CC..Hα-helixtrans-53.4-42.7-170.8-179.26621.400115.4V43 L49 D50 T51 L82 Y83 A84V43-Q47 VanDerWaalsContact O-CB 3.31Å; V43-Q47 WeakPolarHBondContact O-CB 3.38Å; V43-Q47 PolarHBondContact O-N 3.17Å; Q47-L49 VanDerWaalsContact C-N 3.3Å; Q47-L49 PolarHBondContact O-N 3.04Å; Q47-D50 PolarHBondContact O-N 3.34Å; Q47-T51 PolarHBondContact O-N 3.49Å; Q47-T51 PolarHBondContact O-OG1 3.49Å; Q47-L82 WeakPolarHBondContact CG-O 3.42Å; Q47-Y83 HydrophobicContact CB-CD1 4.2Å; Q47-Y83 HydrophobicContact CB-CE1 4.26Å; Q47-Y83 HydrophobicContact CG-CD1 4.09Å; Q47-A84 PolarHBondContact NE2-O 2.98Å; Q47-A84 VanDerWaalsContact NE2-O 3.09Å
48P89.9Confident86Confident21 Ų2123.6 Ų23.614%0.13614%0.139CC..Hα-helixtrans-60.8-39.4178-25.636.5000112.8T51 V52 L82 Y83P48-T51 WeakPolarHBondContact O-CB 3.22Å; P48-T51 PolarHBondContact O-N 3.46Å; P48-V52 WeakPolarHBondContact O-CG2 3.38Å; P48-V52 PolarHBondContact O-N 3.33Å; P48-V52 VanDerWaalsContact O-N 3.13Å; P48-L82 HydrophobicContact CB-CB 4.24Å; P48-L82 HydrophobicContact CB-CD2 4.43Å; P48-L82 HydrophobicContact CG-CB 4.46Å; P48-Y83 HydrophobicContact CG-CE2 3.9Å
49L89Confident85.5Confident35 Ų3525.8 Ų25.818%0.18315%0.149CC..Hα-helixtrans-76-34179.3-66.5170.1000111.7G46 Q47 T51 V52 K53 V291 R292 F295G46-L49 PolarHBondContact O-N 3.04Å; Q47-L49 VanDerWaalsContact C-N 3.3Å; Q47-L49 PolarHBondContact O-N 3.04Å; L49-T51 VanDerWaalsContact C-N 3.3Å; L49-T51 PolarHBondContact O-N 3.33Å; L49-V52 PolarHBondContact O-N 3.43Å; L49-K53 WeakPolarHBondContact O-CB 3.44Å; L49-K53 PolarHBondContact O-N 2.92Å; L49-V291 HydrophobicContact CD1-CG1 3.98Å; L49-R292 HydrophobicContact CB-CB 3.71Å; L49-R292 HydrophobicContact CB-CG 3.88Å; L49-R292 VanDerWaalsContact CD1-CA 3.47Å; L49-R292 HydrophobicContact CD1-CB 3.7Å; L49-R292 HydrophobicContact CD1-CG 4.31Å; L49-R292 HydrophobicContact CG-CB 4.36Å; L49-F295 HydrophobicContact CD1-CD2 4.17Å
50D84Confident84.8Confident31 Ų3126.7 Ų26.717%0.16615%0.152CC..Hα-helixtrans-61.9-40170.3-84.7-30.8000111.7G46 Q47 V52 K53 V54 R292G46-D50 PolarHBondContact O-N 3.01Å; Q47-D50 PolarHBondContact O-N 3.34Å; D50-V52 VanDerWaalsContact C-N 3.33Å; D50-V52 PolarHBondContact O-N 3.5Å; D50-K53 PolarHBondContact O-N 3.28Å; D50-V54 WeakPolarHBondContact O-CG2 3.39Å; D50-V54 PolarHBondContact O-N 3.35Å; D50-R292 WeakPolarHBondContact OD1-CD 3.45Å; D50-R292 IonicContact OD1-CZ 2.93Å; D50-R292 IonicContact OD1-NE 3.6Å; D50-R292 PolarHBondContact OD1-NE 2.92Å; D50-R292 IonicContact OD1-NH1 3.96Å; D50-R292 PolarHBondContact OD1-NH1 3.37Å; D50-R292 WeakPolarHBondContact OD2-CD 3.39Å; D50-R292 IonicContact OD2-CZ 3.9Å; D50-R292 IonicContact OD2-NH1 3.99Å; D50-R292 PolarHBondContact OD2-NH1 2.98Å; D50-R292 VanDerWaalsContact OD2-NH1 3.11Å
51T83.5Confident84.1Confident17 Ų1731.6 Ų31.610%0.10417%0.171CC..Hα-helixtrans-62.1-42.2174.7-61.10000111.4Q47 P48 L49 K55 T73 L82Q47-T51 PolarHBondContact O-N 3.49Å; Q47-T51 PolarHBondContact O-OG1 3.49Å; P48-T51 WeakPolarHBondContact O-CB 3.22Å; P48-T51 PolarHBondContact O-N 3.46Å; L49-T51 VanDerWaalsContact C-N 3.3Å; L49-T51 PolarHBondContact O-N 3.33Å; T51-K55 HydrophobicContact CG2-CD 4.48Å; T51-K55 WeakPolarHBondContact O-CB 3.33Å; T51-K55 WeakPolarHBondContact O-CG 3.41Å; T51-K55 PolarHBondContact O-N 3.12Å; T51-K55 VanDerWaalsContact O-N 3.14Å; T51-T73 HydrophobicContact CG2-CG2 4.34Å; T51-L82 PolarHBondContact OG1-O 3.02Å
52V86.3Confident83.5Confident2 Ų236.3 Ų36.31%0.01219%0.191CC..Hα-helixtrans-65.8-46.5175.6170.20000111.5P48 L49 D50 V54 K55 M56 G66 C69 L70P48-V52 WeakPolarHBondContact O-CG2 3.38Å; P48-V52 PolarHBondContact O-N 3.33Å; P48-V52 VanDerWaalsContact O-N 3.13Å; L49-V52 PolarHBondContact O-N 3.43Å; D50-V52 VanDerWaalsContact C-N 3.33Å; D50-V52 PolarHBondContact O-N 3.5Å; V52-V54 PolarHBondContact O-N 2.88Å; V52-K55 PolarHBondContact O-N 3.38Å; V52-M56 HydrophobicContact CG1-CG 4.23Å; V52-M56 HydrophobicContact CG1-SD 3.87Å; V52-M56 WeakPolarHBondContact O-CB 3.45Å; V52-M56 WeakPolarHBondContact O-CG 3.3Å; V52-M56 PolarHBondContact O-N 3.02Å; V52-G66 WeakPolarHBondContact CG1-O 3.19Å; V52-C69 HydrophobicContact CG1-CB 4.03Å; V52-L70 HydrophobicContact CG2-CB 3.83Å; V52-L70 HydrophobicContact CG2-CD1 3.74Å; V52-L70 HydrophobicContact CG2-CG 4.42Å
53K85.1Confident83.2Confident16 Ų1636.2 Ų36.27%0.0719%0.188CC..Hα-helixtrans-51.5-57176.7175-166.3167.5-179.70110L49 D50 K55 M56 Q57 D252L49-K53 WeakPolarHBondContact O-CB 3.44Å; L49-K53 PolarHBondContact O-N 2.92Å; D50-K53 PolarHBondContact O-N 3.28Å; K53-K55 VanDerWaalsContact C-N 3.34Å; K53-K55 PolarHBondContact O-N 2.86Å; K53-M56 PolarHBondContact O-N 2.98Å; K53-Q57 HydrophobicContact CG-CG 4.43Å; K53-Q57 WeakPolarHBondContact O-CB 3.41Å; K53-Q57 VanDerWaalsContact O-CG 3.29Å; K53-Q57 WeakPolarHBondContact O-CG 3.3Å; K53-Q57 PolarHBondContact O-N 3.09Å; K53-D252 IonicContact NZ-OD2 3.68Å; K53-D252 PolarHBondContact NZ-OD2 2.75Å
54V78.1Confident82.7Confident33 Ų3344 Ų4420%0.222%0.221CC..Hα-helixtrans-62-42.6-1761740000111D50 V52 Q57 S58D50-V54 WeakPolarHBondContact O-CG2 3.39Å; D50-V54 PolarHBondContact O-N 3.35Å; V52-V54 PolarHBondContact O-N 2.88Å; V54-Q57 PolarHBondContact O-N 3Å; V54-S58 WeakPolarHBondContact O-CB 3.29Å; V54-S58 PolarHBondContact O-N 2.99Å; V54-S58 PolarHBondContact O-OG 3.4Å
55K81.4Confident82.4Confident31 Ų3144.1 Ų44.114%0.13523%0.228CC..Hα-helixtrans-65.2-40.3178.2-77.3-174.9175.8-169.20113.4T51 V52 K53 S58 F59 Y63 C69 T73T51-K55 HydrophobicContact CG2-CD 4.48Å; T51-K55 WeakPolarHBondContact O-CB 3.33Å; T51-K55 WeakPolarHBondContact O-CG 3.41Å; T51-K55 PolarHBondContact O-N 3.12Å; T51-K55 VanDerWaalsContact O-N 3.14Å; V52-K55 PolarHBondContact O-N 3.38Å; K53-K55 VanDerWaalsContact C-N 3.34Å; K53-K55 PolarHBondContact O-N 2.86Å; K55-S58 PolarHBondContact O-N 3.22Å; K55-F59 PolarHBondContact O-N 2.8Å; K55-Y63 HydrophobicContact CB-CD2 4.02Å; K55-Y63 HydrophobicContact CB-CE2 4.13Å; K55-Y63 HydrophobicContact CD-CE2 4.31Å; K55-C69 VanDerWaalsContact CB-SG 3.57Å; K55-T73 PolarHBondContact NZ-OG1 3.01Å
56M82.3Confident82.2Confident10 Ų1043.1 Ų43.15%0.04922%0.221CC..Hα-helixtrans-66.3-42.9176.3-72.4-176.871.200111.8V52 K53 S58 P60 G66 C69V52-M56 HydrophobicContact CG1-CG 4.23Å; V52-M56 HydrophobicContact CG1-SD 3.87Å; V52-M56 WeakPolarHBondContact O-CB 3.45Å; V52-M56 WeakPolarHBondContact O-CG 3.3Å; V52-M56 PolarHBondContact O-N 3.02Å; K53-M56 PolarHBondContact O-N 2.98Å; M56-S58 VanDerWaalsContact C-N 3.32Å; M56-P60 WeakPolarHBondContact O-CA 3.29Å; M56-G66 WeakPolarHBondContact SD-CA 3.3Å; M56-G66 PolarHBondContact SD-N 3Å; M56-G66 VanDerWaalsContact SD-N 3.45Å; M56-C69 HydrophobicContact CG-CB 4.22Å
57Q76.7Confident82.2Confident16 Ų1650 Ų508%0.07525%0.251CS..Hα-helixtrans-66.7-37.5177.3-72.1179-33.200111.5K53 V54K53-Q57 HydrophobicContact CG-CG 4.43Å; K53-Q57 WeakPolarHBondContact O-CB 3.41Å; K53-Q57 VanDerWaalsContact O-CG 3.29Å; K53-Q57 WeakPolarHBondContact O-CG 3.3Å; K53-Q57 PolarHBondContact O-N 3.09Å; V54-Q57 PolarHBondContact O-N 3Å
58S74.7Confident82.3Confident27 Ų2752.8 Ų52.819%0.18927%0.268CS..Hα-helixtrans-77.2-39.8-179.4-67.80000113.1V54 K55 M56 P60 V260V54-S58 WeakPolarHBondContact O-CB 3.29Å; V54-S58 PolarHBondContact O-N 2.99Å; V54-S58 PolarHBondContact O-OG 3.4Å; K55-S58 PolarHBondContact O-N 3.22Å; M56-S58 VanDerWaalsContact C-N 3.32Å; S58-P60 VanDerWaalsContact C-CD 3.44Å; S58-P60 WeakPolarHBondContact O-CD 3.41Å; S58-V260 VanDerWaalsContact O-CG1 3.29Å; S58-V260 WeakPolarHBondContact O-CG1 3.39Å; S58-V260 WeakPolarHBondContact O-CG2 3.45Å
59F79.1Confident82.1Confident47 Ų4751.8 Ų51.821%0.20626%0.262CS..  trans-128.364.5-174.8-51.8-79.1000111.8K55 H61 L62 Y63 E159K55-F59 PolarHBondContact O-N 2.8Å; F59-H61 PolarHBondContact O-N 3.29Å; F59-H61 VanDerWaalsContact O-N 3.13Å; F59-L62 HydrophobicContact CB-CB 4.02Å; F59-L62 HydrophobicContact CB-CD1 3.98Å; F59-L62 HydrophobicContact CB-CG 4.24Å; F59-L62 HydrophobicContact CD1-CD1 4.3Å; F59-L62 HydrophobicContact CG-CD1 4.26Å; F59-L62 PolarHBondContact O-N 2.95Å; F59-Y63 HydrophobicContact CB-CD2 4.08Å; F59-Y63 HydrophobicContact CB-CE2 4.4Å; F59-Y63 PolarHBondContact O-N 3.22Å; F59-E159 HydrophobicContact CE2-CB 4.33Å; F59-E159 HydrophobicContact CE2-CG 3.85Å; F59-E159 HydrophobicContact CZ-CB 3.85Å; F59-E159 HydrophobicContact CZ-CG 3.88Å
60P73.2Confident82.2Confident37 Ų3752.7 Ų52.724%0.2427%0.267CS..THydrogen-bonded Turntrans-62.6-25.4-174.324.8-34.9000113.3M56 S58M56-P60 WeakPolarHBondContact O-CA 3.29Å; S58-P60 VanDerWaalsContact C-CD 3.44Å; S58-P60 WeakPolarHBondContact O-CD 3.41Å
61H78Confident82.6Confident157 Ų15757.2 Ų57.273%0.72728%0.282SS*.THydrogen-bonded Turntrans-75.7-27.4175.9-57.6-64.7000113.2F59F59-H61 PolarHBondContact O-N 3.29Å; F59-H61 VanDerWaalsContact O-N 3.13Å
62L78.7Confident82.8Confident124 Ų12459.2 Ų59.265%0.64929%0.29SS*.THydrogen-bonded Turntrans-88.1-37.5178-65.5178000112F59F59-L62 HydrophobicContact CB-CB 4.02Å; F59-L62 HydrophobicContact CB-CD1 3.98Å; F59-L62 HydrophobicContact CB-CG 4.24Å; F59-L62 HydrophobicContact CD1-CD1 4.3Å; F59-L62 HydrophobicContact CG-CD1 4.26Å; F59-L62 PolarHBondContact O-N 2.95Å
63Y81.7Confident82.8Confident11 Ų1159.2 Ų59.24%0.04329%0.29CS..  trans-123.380.1-172.6-59.7-62.3000112K55 F59 C69 E72K55-Y63 HydrophobicContact CB-CD2 4.02Å; K55-Y63 HydrophobicContact CB-CE2 4.13Å; K55-Y63 HydrophobicContact CD-CE2 4.31Å; F59-Y63 HydrophobicContact CB-CD2 4.08Å; F59-Y63 HydrophobicContact CB-CE2 4.4Å; F59-Y63 PolarHBondContact O-N 3.22Å; Y63-C69 HydrophobicContact CD1-CB 3.72Å; Y63-C69 HydrophobicContact CE1-CB 4.45Å; Y63-C69 HydrophobicContact CG-CB 3.93Å; Y63-E72 HydrophobicContact CE1-CB 4.16Å
64K78.8Confident83Confident179 Ų17963.6 Ų63.678%0.77831%0.307SS*.SBendtrans-73.6-25.8177.8-62.7-173.8-179.6-178.20113.9
65N84.4Confident83.6Confident90 Ų9068.2 Ų68.248%0.48132%0.324SS..SBendtrans-126.6131.8-176.7-174.7-31.4000109.9F67 T68 C69N65-F67 VanDerWaalsContact C-N 3.27Å; N65-F67 PolarHBondContact O-N 2.81Å; N65-F67 WeakPolarHBondContact OD1-CB 3.13Å; N65-F67 PolarHBondContact OD1-N 3.14Å; N65-T68 PolarHBondContact O-N 3.37Å; N65-C69 PolarHBondContact O-N 3.39Å
66G85.5Confident83.7Confident16 Ų1675.3 Ų75.317%0.16535%0.35CS..Hα-helixtrans-60.5-34.9179.100000113.4V52 M56 C69 L70V52-G66 WeakPolarHBondContact CG1-O 3.19Å; M56-G66 WeakPolarHBondContact SD-CA 3.3Å; M56-G66 PolarHBondContact SD-N 3Å; M56-G66 VanDerWaalsContact SD-N 3.45Å; G66-C69 PolarHBondContact O-N 3.33Å; G66-L70 WeakPolarHBondContact O-CB 3.44Å; G66-L70 PolarHBondContact O-N 2.99Å
67F88.8Confident83.5Confident143 Ų14376.3 Ų76.363%0.62736%0.363SS*.Hα-helixtrans-66.8-44.2175.5-174.8-96.7000111.9N65 C69 L70 W71N65-F67 VanDerWaalsContact C-N 3.27Å; N65-F67 PolarHBondContact O-N 2.81Å; N65-F67 WeakPolarHBondContact OD1-CB 3.13Å; N65-F67 PolarHBondContact OD1-N 3.14Å; F67-C69 VanDerWaalsContact C-N 3.32Å; F67-C69 PolarHBondContact O-N 3.24Å; F67-L70 WeakPolarHBondContact O-CB 3.37Å; F67-L70 PolarHBondContact O-N 3.33Å; F67-W71 WeakPolarHBondContact O-CB 3.15Å; F67-W71 PolarHBondContact O-N 3Å
68T88.2Confident84Confident65 Ų6584.3 Ų84.340%0.39939%0.392SS..Hα-helixtrans-60.6-44.2174.8-53.40000110.8N65 L70 W71 E72N65-T68 PolarHBondContact O-N 3.37Å; T68-L70 PolarHBondContact O-N 3.48Å; T68-W71 PolarHBondContact O-N 3.11Å; T68-E72 HydrophobicContact CG2-CG 4.34Å; T68-E72 WeakPolarHBondContact O-CB 3.5Å; T68-E72 VanDerWaalsContact O-CG 3.32Å; T68-E72 WeakPolarHBondContact O-CG 3.49Å; T68-E72 PolarHBondContact O-N 3.07Å
69C87.7Confident84.6Confident0 Ų088.2 Ų88.20%041%0.41CS..Hα-helixtrans-60.5-43.8175.8-175.70000112.7V52 K55 M56 Y63 N65 G66 F67 T73V52-C69 HydrophobicContact CG1-CB 4.03Å; K55-C69 VanDerWaalsContact CB-SG 3.57Å; M56-C69 HydrophobicContact CG-CB 4.22Å; Y63-C69 HydrophobicContact CD1-CB 3.72Å; Y63-C69 HydrophobicContact CE1-CB 4.45Å; Y63-C69 HydrophobicContact CG-CB 3.93Å; N65-C69 PolarHBondContact O-N 3.39Å; G66-C69 PolarHBondContact O-N 3.33Å; F67-C69 VanDerWaalsContact C-N 3.32Å; F67-C69 PolarHBondContact O-N 3.24Å; C69-T73 VanDerWaalsContact O-CB 3.28Å; C69-T73 WeakPolarHBondContact O-CB 3.28Å; C69-T73 PolarHBondContact O-N 3.13Å; C69-T73 PolarHBondContact O-OG1 3.47Å
70L90.3Very high84.9Confident55 Ų5594.9 Ų94.929%0.28844%0.439SS..Hα-helixtrans-60.7-49.2177.1-175.372.1000110.6V52 G66 F67 T68 T73 Y74 L82V52-L70 HydrophobicContact CG2-CB 3.83Å; V52-L70 HydrophobicContact CG2-CD1 3.74Å; V52-L70 HydrophobicContact CG2-CG 4.42Å; G66-L70 WeakPolarHBondContact O-CB 3.44Å; G66-L70 PolarHBondContact O-N 2.99Å; F67-L70 WeakPolarHBondContact O-CB 3.37Å; F67-L70 PolarHBondContact O-N 3.33Å; T68-L70 PolarHBondContact O-N 3.48Å; L70-T73 PolarHBondContact O-N 3.04Å; L70-Y74 WeakPolarHBondContact O-CB 3.42Å; L70-Y74 PolarHBondContact O-N 3.38Å; L70-L82 HydrophobicContact CD1-CD1 4.44Å; L70-L82 HydrophobicContact CD1-CD2 3.7Å
71W92.6Very high85.2Confident126 Ų12693.6 Ų93.648%0.47743%0.433SS..Hα-helixtrans-64.6-45-178.5-174.4-115000112.8F67 T68 T73 Y74 K75F67-W71 WeakPolarHBondContact O-CB 3.15Å; F67-W71 PolarHBondContact O-N 3Å; T68-W71 PolarHBondContact O-N 3.11Å; W71-T73 VanDerWaalsContact C-N 3.35Å; W71-T73 PolarHBondContact O-N 3.44Å; W71-Y74 PolarHBondContact O-N 2.94Å; W71-K75 WeakPolarHBondContact O-CG 3.4Å; W71-K75 PolarHBondContact O-N 3.36Å
72E88.2Confident85.6Confident59 Ų5986.9 Ų86.928%0.27640%0.402SS..Hα-helixtrans-63.5-40.6175.7-75.5-61.7134.600111.8Y63 T68 K75 R76Y63-E72 HydrophobicContact CE1-CB 4.16Å; T68-E72 HydrophobicContact CG2-CG 4.34Å; T68-E72 WeakPolarHBondContact O-CB 3.5Å; T68-E72 VanDerWaalsContact O-CG 3.32Å; T68-E72 WeakPolarHBondContact O-CG 3.49Å; T68-E72 PolarHBondContact O-N 3.07Å; E72-K75 PolarHBondContact O-N 3.35Å; E72-R76 WeakPolarHBondContact O-CB 3.4Å; E72-R76 VanDerWaalsContact O-CG 3.31Å; E72-R76 WeakPolarHBondContact O-CG 3.3Å; E72-R76 PolarHBondContact O-N 3.08Å; E72-R76 IonicContact OE2-NE 2.82Å
73T86.2Confident86Confident2 Ų284.9 Ų84.91%0.01239%0.386CS..Hα-helixtrans-65-42.1176.4-60.50000111.4T51 K55 C69 L70 W71 R76 G77 L82T51-T73 HydrophobicContact CG2-CG2 4.34Å; K55-T73 PolarHBondContact NZ-OG1 3.01Å; C69-T73 VanDerWaalsContact O-CB 3.28Å; C69-T73 WeakPolarHBondContact O-CB 3.28Å; C69-T73 PolarHBondContact O-N 3.13Å; C69-T73 PolarHBondContact O-OG1 3.47Å; L70-T73 PolarHBondContact O-N 3.04Å; W71-T73 VanDerWaalsContact C-N 3.35Å; W71-T73 PolarHBondContact O-N 3.44Å; T73-R76 PolarHBondContact O-N 3.44Å; T73-G77 PolarHBondContact O-N 3.01Å; T73-L82 HydrophobicContact CG2-CD2 3.7Å; T73-L82 HydrophobicContact CG2-CG 4.34Å
74Y89.5Confident85.8Confident107 Ų10785.6 Ų85.642%0.4240%0.395SS..Hα-helixtrans-64-42.9175.3-179.4-96.3000112L70 W71 R76 R78 I79 L82L70-Y74 WeakPolarHBondContact O-CB 3.42Å; L70-Y74 PolarHBondContact O-N 3.38Å; W71-Y74 PolarHBondContact O-N 2.94Å; Y74-R76 PolarHBondContact O-N 3.09Å; Y74-R78 WeakPolarHBondContact O-CA 3.49Å; Y74-R78 PolarHBondContact O-N 3Å; Y74-I79 HydrophobicContact CE2-CG1 4.42Å; Y74-L82 HydrophobicContact CD2-CD1 4.23Å
75K89.6Confident85.6Confident131 Ų13178.7 Ų78.757%0.5737%0.374SS*.Hα-helixtrans-61.6-43176.5-81.8-178.8164.71790112.8W71 E72W71-K75 WeakPolarHBondContact O-CG 3.4Å; W71-K75 PolarHBondContact O-N 3.36Å; E72-K75 PolarHBondContact O-N 3.35Å
76R82.9Confident85.6Confident179 Ų17975.2 Ų75.268%0.67536%0.357SS*.Hα-helixtrans-74.7-41.1-176.5-69.3177.3-173.3-161.40.5113.7E72 T73 Y74E72-R76 WeakPolarHBondContact O-CB 3.4Å; E72-R76 VanDerWaalsContact O-CG 3.31Å; E72-R76 WeakPolarHBondContact O-CG 3.3Å; E72-R76 PolarHBondContact O-N 3.08Å; E72-R76 IonicContact OE2-NE 2.82Å; T73-R76 PolarHBondContact O-N 3.44Å; Y74-R76 PolarHBondContact O-N 3.09Å
77G78.6Confident85.4Confident31 Ų3179.6 Ų79.632%0.3238%0.376SS..Hα-helixtrans-129.80.5-170.200000115.6T73 K80 G81T73-G77 PolarHBondContact O-N 3.01Å; G77-K80 PolarHBondContact O-N 3.04Å; G77-G81 PolarHBondContact O-N 3.12Å
78R87.6Confident84.9Confident185 Ų18575.4 Ų75.470%0.69836%0.363SS*.Hα-helixtrans50.2-148.3-171.3-59-175.1174.1-176.8-1.9111.3Y74 K80 G81 L82Y74-R78 WeakPolarHBondContact O-CA 3.49Å; Y74-R78 PolarHBondContact O-N 3Å; R78-K80 VanDerWaalsContact C-N 3.25Å; R78-K80 PolarHBondContact O-N 3.44Å; R78-G81 PolarHBondContact O-N 3.15Å; R78-G81 VanDerWaalsContact O-N 3.09Å; R78-L82 PolarHBondContact O-N 3.29Å
79I88Confident84.6Confident109 Ų10973 Ų7356%0.55935%0.35SS*.Hα-helixtrans-59.1-36.7179-61.8167.7000111.2Y74 G81 L82 Y83Y74-I79 HydrophobicContact CE2-CG1 4.42Å; I79-G81 PolarHBondContact O-N 2.99Å; I79-L82 PolarHBondContact O-N 3.36Å; I79-L82 VanDerWaalsContact O-N 3.12Å; I79-Y83 HydrophobicContact CG2-CD2 3.63Å; I79-Y83 HydrophobicContact CG2-CE2 3.99Å; I79-Y83 WeakPolarHBondContact O-CD2 3.22Å; I79-Y83 PolarHBondContact O-N 2.93Å
80K84.3Confident84.5Confident186 Ų18674.1 Ų74.181%0.80936%0.355SS*.Hα-helixtrans-61.2-32.3177.4-67-174179-177.50112.6G77 R78 A84G77-K80 PolarHBondContact O-N 3.04Å; R78-K80 VanDerWaalsContact C-N 3.25Å; R78-K80 PolarHBondContact O-N 3.44Å; K80-A84 WeakPolarHBondContact O-CB 3.38Å; K80-A84 PolarHBondContact O-N 2.98Å; K80-A84 VanDerWaalsContact O-N 3.15Å
81G79.7Confident84.3Confident11 Ų1175.3 Ų75.311%0.11337%0.365CS..Hα-helixtrans-69.4-41174.600000113G77 R78 I79 A84G77-G81 PolarHBondContact O-N 3.12Å; R78-G81 PolarHBondContact O-N 3.15Å; R78-G81 VanDerWaalsContact O-N 3.09Å; I79-G81 PolarHBondContact O-N 2.99Å; G81-A84 WeakPolarHBondContact O-CB 3.46Å
82L85.8Confident83.9Confident16 Ų1670 Ų708%0.08435%0.348CS..Hα-helixtrans-72.4-32.6179.9-65.5173.9000113Q47 P48 T51 L70 T73 Y74 R78 I79Q47-L82 WeakPolarHBondContact CG-O 3.42Å; P48-L82 HydrophobicContact CB-CB 4.24Å; P48-L82 HydrophobicContact CB-CD2 4.43Å; P48-L82 HydrophobicContact CG-CB 4.46Å; T51-L82 PolarHBondContact OG1-O 3.02Å; L70-L82 HydrophobicContact CD1-CD1 4.44Å; L70-L82 HydrophobicContact CD1-CD2 3.7Å; T73-L82 HydrophobicContact CG2-CD2 3.7Å; T73-L82 HydrophobicContact CG2-CG 4.34Å; Y74-L82 HydrophobicContact CD2-CD1 4.23Å; R78-L82 PolarHBondContact O-N 3.29Å; I79-L82 PolarHBondContact O-N 3.36Å; I79-L82 VanDerWaalsContact O-N 3.12Å
83Y87.3Confident83.7Confident82 Ų8269.8 Ų69.832%0.32235%0.349SS..THydrogen-bonded Turntrans-975.7179.3-75.6-91.4000113.6Y44 Q47 P48 I79 G85 S86Y44-Y83 AromaticContact CD1-CD1 3.78Å; Y44-Y83 HydrophobicContact CD1-CD1 3.78Å; Y44-Y83 AromaticContact CD1-CE1 3.81Å; Y44-Y83 HydrophobicContact CD1-CE1 3.81Å; Y44-Y83 HydrophobicContact CE1-CD1 4.36Å; Y44-Y83 WeakPolarHBondContact O-CE1 3.16Å; Y44-Y83 PolarHBondContact O-OH 3.16Å; Y44-Y83 VanDerWaalsContact O-OH 3.12Å; Q47-Y83 HydrophobicContact CB-CD1 4.2Å; Q47-Y83 HydrophobicContact CB-CE1 4.26Å; Q47-Y83 HydrophobicContact CG-CD1 4.09Å; P48-Y83 HydrophobicContact CG-CE2 3.9Å; I79-Y83 HydrophobicContact CG2-CD2 3.63Å; I79-Y83 HydrophobicContact CG2-CE2 3.99Å; I79-Y83 WeakPolarHBondContact O-CD2 3.22Å; I79-Y83 PolarHBondContact O-N 2.93Å; Y83-G85 PolarHBondContact O-N 2.85Å; Y83-S86 WeakPolarHBondContact O-CB 3.23Å; Y83-S86 PolarHBondContact O-N 2.69Å; Y83-S86 VanDerWaalsContact O-N 3.13Å; Y83-S86 PolarHBondContact O-OG 3.44Å
84A77.6Confident83.8Confident26 Ų2673.3 Ų73.322%0.21537%0.37CS..THydrogen-bonded Turntrans-60.9122.4175.500000110.4Q47 K80 G81Q47-A84 PolarHBondContact NE2-O 2.98Å; Q47-A84 VanDerWaalsContact NE2-O 3.09Å; K80-A84 WeakPolarHBondContact O-CB 3.38Å; K80-A84 PolarHBondContact O-N 2.98Å; K80-A84 VanDerWaalsContact O-N 3.15Å; G81-A84 WeakPolarHBondContact O-CB 3.46Å
85G75.9Confident83.8Confident34 Ų3469.8 Ų69.835%0.35136%0.363SS..THydrogen-bonded Turntrans86.110.7-179.500000115.1Y83 L87 P88 A89Y83-G85 PolarHBondContact O-N 2.85Å; G85-L87 VanDerWaalsContact C-N 3.35Å; G85-L87 PolarHBondContact O-N 3.37Å; G85-P88 WeakPolarHBondContact O-CD 3.47Å; G85-A89 WeakPolarHBondContact O-CB 3.48Å; G85-A89 PolarHBondContact O-N 3.49Å
86S82.7Confident83.7Confident16 Ų1664.8 Ų64.811%0.11234%0.342CS..Hα-helixtrans-58.6-42.3176.462.30000113Y83 A89 L90Y83-S86 WeakPolarHBondContact O-CB 3.23Å; Y83-S86 PolarHBondContact O-N 2.69Å; Y83-S86 VanDerWaalsContact O-N 3.13Å; Y83-S86 PolarHBondContact O-OG 3.44Å; S86-A89 WeakPolarHBondContact O-CB 3.24Å; S86-A89 PolarHBondContact O-N 2.89Å; S86-L90 WeakPolarHBondContact O-CB 3.41Å; S86-L90 PolarHBondContact O-N 3.33Å
87L81.4Confident83.8Confident109 Ų10958.6 Ų58.657%0.57132%0.322SS*.Hα-helixtrans-65.8-51.6-179.3177.166.3000112.2G85 A89 L90 T91G85-L87 VanDerWaalsContact C-N 3.35Å; G85-L87 PolarHBondContact O-N 3.37Å; L87-A89 PolarHBondContact O-N 3.08Å; L87-L90 PolarHBondContact O-N 3.04Å; L87-L90 VanDerWaalsContact O-N 3.15Å; L87-T91 PolarHBondContact O-N 2.89Å; L87-T91 PolarHBondContact O-OG1 3.29Å; L87-T91 VanDerWaalsContact O-OG1 3.12Å
88P79.7Confident84.3Confident54 Ų5460.5 Ų60.535%0.35133%0.331SS..Hα-helixtrans-54.2-39.3170.7-28.133.7000113.7G85 A92G85-P88 WeakPolarHBondContact O-CD 3.47Å; P88-A92 VanDerWaalsContact O-CB 3.31Å; P88-A92 WeakPolarHBondContact O-CB 2.93Å; P88-A92 PolarHBondContact O-N 2.93Å
89A81.1Confident84.4Confident15 Ų1553.9 Ų53.912%0.12431%0.311CS..Hα-helixtrans-64.8-43.4176.900000112.1V43 G85 S86 L87 A92 N93V43-A89 HydrophobicContact CG1-CB 4.42Å; G85-A89 WeakPolarHBondContact O-CB 3.48Å; G85-A89 PolarHBondContact O-N 3.49Å; S86-A89 WeakPolarHBondContact O-CB 3.24Å; S86-A89 PolarHBondContact O-N 2.89Å; L87-A89 PolarHBondContact O-N 3.08Å; A89-A92 PolarHBondContact O-N 3.1Å; A89-N93 WeakPolarHBondContact O-CB 3.45Å; A89-N93 PolarHBondContact O-N 2.98Å
90L85.9Confident84.4Confident23 Ų2348.9 Ų48.912%0.1229%0.285CS..Hα-helixtrans-61.4-49.4175.4177.461.8000111.3V40 V43 Y44 S86 L87 A92 N93 V94V40-L90 HydrophobicContact CG2-CD1 4.09Å; V40-L90 HydrophobicContact CG2-CD2 4.16Å; V43-L90 HydrophobicContact CB-CD1 4.08Å; V43-L90 HydrophobicContact CG1-CB 3.93Å; V43-L90 HydrophobicContact CG1-CD1 4.41Å; V43-L90 HydrophobicContact CG2-CD1 3.82Å; Y44-L90 HydrophobicContact CE2-CD2 4.26Å; S86-L90 WeakPolarHBondContact O-CB 3.41Å; S86-L90 PolarHBondContact O-N 3.33Å; L87-L90 PolarHBondContact O-N 3.04Å; L87-L90 VanDerWaalsContact O-N 3.15Å; L90-A92 VanDerWaalsContact C-N 3.34Å; L90-A92 PolarHBondContact O-N 3.44Å; L90-N93 PolarHBondContact O-N 3.41Å; L90-V94 HydrophobicContact CD1-CG2 4.03Å; L90-V94 HydrophobicContact CG-CG2 4.46Å; L90-V94 WeakPolarHBondContact O-CG2 3.37Å; L90-V94 PolarHBondContact O-N 3.41Å
91T85.8Confident84.4Confident80 Ų8046.6 Ų46.649%0.49128%0.275SS..Hα-helixtrans-60.9-43.6179.6-56.60000111.6L87 A95L87-T91 PolarHBondContact O-N 2.89Å; L87-T91 PolarHBondContact O-OG1 3.29Å; L87-T91 VanDerWaalsContact O-OG1 3.12Å; T91-A95 VanDerWaalsContact O-CB 3.28Å; T91-A95 WeakPolarHBondContact O-CB 3.37Å; T91-A95 PolarHBondContact O-N 3.45Å
92A84Confident84.7Confident14 Ų1449.7 Ų49.712%0.11630%0.3CS..Hα-helixtrans-61.6-47.5176.300000111.4P88 A89 L90 V94 A95 E96 T147P88-A92 VanDerWaalsContact O-CB 3.31Å; P88-A92 WeakPolarHBondContact O-CB 2.93Å; P88-A92 PolarHBondContact O-N 2.93Å; A89-A92 PolarHBondContact O-N 3.1Å; L90-A92 VanDerWaalsContact C-N 3.34Å; L90-A92 PolarHBondContact O-N 3.44Å; A92-V94 PolarHBondContact O-N 2.98Å; A92-A95 PolarHBondContact O-N 3.39Å; A92-E96 WeakPolarHBondContact O-CB 3.48Å; A92-E96 PolarHBondContact O-N 3.11Å; A92-T147 HydrophobicContact CB-CG2 4.37Å
93N85.1Confident85Confident55 Ų5549.5 Ų49.529%0.29430%0.301SS..Hα-helixtrans-63.8-41.7-179.9-175.467.8000112.7V43 A89 L90 N97V43-N93 HydrophobicContact CG2-CB 4.22Å; A89-N93 WeakPolarHBondContact O-CB 3.45Å; A89-N93 PolarHBondContact O-N 2.98Å; L90-N93 PolarHBondContact O-N 3.41Å; N93-N97 PolarHBondContact ND2-ND2 3.48Å; N93-N97 WeakPolarHBondContact O-CB 3.39Å; N93-N97 PolarHBondContact O-N 3.23Å; N93-N97 PolarHBondContact O-ND2 2.93Å; N93-N97 PolarHBondContact OD1-ND2 3.27Å; N93-N97 VanDerWaalsContact OD1-ND2 3.14Å
94V87.7Confident85.1Confident77 Ų7746.8 Ų46.847%0.46729%0.29SS..Hα-helixtrans-63.2-50.1176.2169.40000110.1L90 A92 E96 N97 S98L90-V94 HydrophobicContact CD1-CG2 4.03Å; L90-V94 HydrophobicContact CG-CG2 4.46Å; L90-V94 WeakPolarHBondContact O-CG2 3.37Å; L90-V94 PolarHBondContact O-N 3.41Å; A92-V94 PolarHBondContact O-N 2.98Å; V94-E96 VanDerWaalsContact C-N 3.34Å; V94-E96 PolarHBondContact O-N 2.93Å; V94-N97 PolarHBondContact O-N 3.37Å; V94-S98 WeakPolarHBondContact O-CB 3.42Å; V94-S98 PolarHBondContact O-N 2.81Å; V94-S98 PolarHBondContact O-OG 3.36Å
95A88.4Confident85.5Confident32 Ų3247 Ų4726%0.26430%0.295SS..Hα-helixtrans-66.2-38-176.600000112.1T91 A92 V99 V143T91-A95 VanDerWaalsContact O-CB 3.28Å; T91-A95 WeakPolarHBondContact O-CB 3.37Å; T91-A95 PolarHBondContact O-N 3.45Å; A92-A95 PolarHBondContact O-N 3.39Å; A95-V99 WeakPolarHBondContact O-CG2 3.33Å; A95-V99 PolarHBondContact O-N 2.83Å; A95-V99 VanDerWaalsContact O-N 3.15Å; A95-V143 HydrophobicContact CB-CG1 3.38Å
96E87.8Confident86.3Confident26 Ų2648.1 Ų48.112%0.12130%0.301CS..Hα-helixtrans-59.4-56.1172.7-176.3-171.4169.800111.4A92 V94 S98 V99 L100 A140 Y204A92-E96 WeakPolarHBondContact O-CB 3.48Å; A92-E96 PolarHBondContact O-N 3.11Å; V94-E96 VanDerWaalsContact C-N 3.34Å; V94-E96 PolarHBondContact O-N 2.93Å; E96-S98 VanDerWaalsContact C-N 3.34Å; E96-S98 PolarHBondContact O-N 3.24Å; E96-V99 PolarHBondContact O-N 3.42Å; E96-L100 WeakPolarHBondContact O-CB 3.23Å; E96-L100 PolarHBondContact O-N 2.88Å; E96-A140 HydrophobicContact CG-CB 4.12Å; E96-Y204 PolarHBondContact OE1-OH 3.45Å
97N86.1Confident86.8Confident49 Ų4947.6 Ų47.626%0.26230%0.297SS..Hα-helixtrans-62.4-40.9-178.1-76.8-62.8000111.7N93 V94 V99 L100 F101N93-N97 PolarHBondContact ND2-ND2 3.48Å; N93-N97 WeakPolarHBondContact O-CB 3.39Å; N93-N97 PolarHBondContact O-N 3.23Å; N93-N97 PolarHBondContact O-ND2 2.93Å; N93-N97 PolarHBondContact OD1-ND2 3.27Å; N93-N97 VanDerWaalsContact OD1-ND2 3.14Å; V94-N97 PolarHBondContact O-N 3.37Å; N97-V99 PolarHBondContact O-N 3.03Å; N97-L100 PolarHBondContact O-N 3.11Å; N97-F101 HydrophobicContact CB-CD2 4.32Å; N97-F101 HydrophobicContact CB-CE2 4.32Å; N97-F101 WeakPolarHBondContact O-CD2 3.32Å; N97-F101 PolarHBondContact O-N 3.48Å
98S87.5Confident87.3Confident72 Ų7244 Ų4450%0.50328%0.277SS..Hα-helixtrans-59.3-45.8177.4-64.50000112.1V94 E96 A102V94-S98 WeakPolarHBondContact O-CB 3.42Å; V94-S98 PolarHBondContact O-N 2.81Å; V94-S98 PolarHBondContact O-OG 3.36Å; E96-S98 VanDerWaalsContact C-N 3.34Å; E96-S98 PolarHBondContact O-N 3.24Å; S98-A102 VanDerWaalsContact O-CB 3.29Å; S98-A102 WeakPolarHBondContact O-CB 2.9Å; S98-A102 PolarHBondContact O-N 2.95Å; S98-A102 VanDerWaalsContact O-N 3.09Å
99V89.9Confident87.8Confident45 Ų4547.3 Ų47.327%0.27329%0.286SS..Hα-helixtrans-69.9-40.8178.1172.50000111.2A95 E96 N97 A102 A103 F139 V143A95-V99 WeakPolarHBondContact O-CG2 3.33Å; A95-V99 PolarHBondContact O-N 2.83Å; A95-V99 VanDerWaalsContact O-N 3.15Å; E96-V99 PolarHBondContact O-N 3.42Å; N97-V99 PolarHBondContact O-N 3.03Å; V99-A102 PolarHBondContact O-N 3.45Å; V99-A103 WeakPolarHBondContact O-CB 3.46Å; V99-A103 PolarHBondContact O-N 2.85Å; V99-F139 VanDerWaalsContact CG1-C 3.46Å; V99-F139 HydrophobicContact CG1-CB 3.69Å; V99-F139 WeakPolarHBondContact CG1-O 3.32Å; V99-V143 HydrophobicContact CB-CG2 4.43Å; V99-V143 HydrophobicContact CG2-CG2 3.69Å
100L88.9Confident88.5Confident5 Ų550.2 Ų50.23%0.02630%0.302CS..Hα-helixtrans-58.3-52.3177.2-176.577.8000111E96 N97 A102 A103 Y104 A136 A140 Y204 F208E96-L100 WeakPolarHBondContact O-CB 3.23Å; E96-L100 PolarHBondContact O-N 2.88Å; N97-L100 PolarHBondContact O-N 3.11Å; L100-A102 PolarHBondContact O-N 3.02Å; L100-A103 PolarHBondContact O-N 2.88Å; L100-Y104 WeakPolarHBondContact O-CB 3.45Å; L100-Y104 PolarHBondContact O-N 2.94Å; L100-A136 HydrophobicContact CD1-CB 4.01Å; L100-A140 HydrophobicContact CB-CB 4.22Å; L100-A140 HydrophobicContact CD1-CB 4.22Å; L100-Y204 HydrophobicContact CD1-CD1 4.12Å; L100-Y204 HydrophobicContact CD1-CE1 3.88Å; L100-Y204 HydrophobicContact CD1-CE2 4.26Å; L100-Y204 HydrophobicContact CD1-CG 4.43Å; L100-Y204 HydrophobicContact CD2-CD1 4.05Å; L100-Y204 HydrophobicContact CD2-CE1 3.23Å; L100-Y204 HydrophobicContact CG-CE1 4.18Å; L100-F208 HydrophobicContact CD2-CE2 4.5Å; L100-F208 HydrophobicContact CD2-CZ 4.49Å
101F83.7Confident88.9Confident137 Ų13750.6 Ų50.660%0.60130%0.304SS*.Hα-helixtrans-65.2-39.6-178.9-78.2-64.3000112.4N97 Y104N97-F101 HydrophobicContact CB-CD2 4.32Å; N97-F101 HydrophobicContact CB-CE2 4.32Å; N97-F101 WeakPolarHBondContact O-CD2 3.32Å; N97-F101 PolarHBondContact O-N 3.48Å; F101-Y104 PolarHBondContact O-N 3.43Å
102A87Confident89.2Confident76 Ų7646.8 Ų46.863%0.62828%0.281SS*.Hα-helixtrans-63.1-43.5175.200000111.9S98 V99 L100S98-A102 VanDerWaalsContact O-CB 3.29Å; S98-A102 WeakPolarHBondContact O-CB 2.9Å; S98-A102 PolarHBondContact O-N 2.95Å; S98-A102 VanDerWaalsContact O-N 3.09Å; V99-A102 PolarHBondContact O-N 3.45Å; L100-A102 PolarHBondContact O-N 3.02Å
103A92.2Very high89.7Confident13 Ų1350.6 Ų50.611%0.10730%0.303CS..Hα-helixtrans-73.1-34.7178.900000112.3V99 L100 G105 A106 C107 A136 F139V99-A103 WeakPolarHBondContact O-CB 3.46Å; V99-A103 PolarHBondContact O-N 2.85Å; L100-A103 PolarHBondContact O-N 2.88Å; A103-G105 PolarHBondContact O-N 2.65Å; A103-A106 PolarHBondContact O-N 3.1Å; A103-C107 WeakPolarHBondContact O-CB 3.35Å; A103-C107 PolarHBondContact O-N 2.93Å; A103-C107 PolarHBondContact O-SG 3.44Å; A103-A136 HydrophobicContact CB-CB 3.99Å; A103-F139 HydrophobicContact CB-CB 3.88Å; A103-F139 HydrophobicContact CB-CD2 3.74Å; A103-F139 HydrophobicContact CB-CG 3.94Å
104Y89.3Confident90.2Very high24 Ų2453.3 Ų53.39%0.09432%0.321CS..Hα-helixtrans-59.5-48.9-176-178-118.7000111.9L100 F101 A106 C107 Q108 A132 A136 F208L100-Y104 WeakPolarHBondContact O-CB 3.45Å; L100-Y104 PolarHBondContact O-N 2.94Å; F101-Y104 PolarHBondContact O-N 3.43Å; Y104-A106 VanDerWaalsContact C-N 3.29Å; Y104-A106 PolarHBondContact O-N 2.94Å; Y104-C107 PolarHBondContact O-N 3.37Å; Y104-C107 VanDerWaalsContact O-N 3.13Å; Y104-Q108 HydrophobicContact CD1-CG 4.36Å; Y104-Q108 HydrophobicContact CD2-CG 4.17Å; Y104-Q108 HydrophobicContact CE1-CG 4.04Å; Y104-Q108 VanDerWaalsContact CE1-OE1 3.32Å; Y104-Q108 HydrophobicContact CE2-CG 3.83Å; Y104-Q108 HydrophobicContact CG-CG 4.42Å; Y104-Q108 VanDerWaalsContact CZ-CD 3.43Å; Y104-Q108 WeakPolarHBondContact O-CG 3.31Å; Y104-Q108 PolarHBondContact O-N 3.19Å; Y104-Q108 PolarHBondContact OH-NE2 3.45Å; Y104-A132 HydrophobicContact CD2-CB 4.38Å; Y104-A132 HydrophobicContact CE2-CB 4.02Å; Y104-A136 HydrophobicContact CD2-CB 4.41Å; Y104-F208 HydrophobicContact CD1-CE1 4.4Å; Y104-F208 HydrophobicContact CD2-CE1 4.23Å; Y104-F208 HydrophobicContact CD2-CE2 4.41Å; Y104-F208 AromaticContact CD2-CZ 3.97Å; Y104-F208 HydrophobicContact CD2-CZ 3.97Å; Y104-F208 AromaticContact CE1-CE1 3.93Å; Y104-F208 HydrophobicContact CE1-CE1 3.93Å; Y104-F208 HydrophobicContact CE1-CZ 4.46Å; Y104-F208 HydrophobicContact CE2-CD1 4.05Å; Y104-F208 AromaticContact CE2-CE1 3.75Å; Y104-F208 HydrophobicContact CE2-CE1 3.75Å; Y104-F208 HydrophobicContact CE2-CE2 4.37Å; Y104-F208 HydrophobicContact CE2-CG 4.49Å; Y104-F208 AromaticContact CE2-CZ 3.92Å; Y104-F208 HydrophobicContact CE2-CZ 3.92Å; Y104-F208 HydrophobicContact CG-CZ 4.26Å; Y104-F208 AromaticContact CZ-CD1 3.9Å; Y104-F208 AromaticContact CZ-CE1 3.58Å
105G86.1Confident90.4Very high30 Ų3052.5 Ų52.531%0.30932%0.316SS..Hα-helixtrans-60.6-37.417800000113.1A103 K109A103-G105 PolarHBondContact O-N 2.65Å; G105-K109 WeakPolarHBondContact O-CG 3.22Å; G105-K109 PolarHBondContact O-N 2.85Å
106A91.1Very high90.5Very high58 Ų5853.7 Ų53.748%0.47933%0.332SS..Hα-helixtrans-69.5-43174.400000111.8A103 Y104 Q108 K109 V110A103-A106 PolarHBondContact O-N 3.1Å; Y104-A106 VanDerWaalsContact C-N 3.29Å; Y104-A106 PolarHBondContact O-N 2.94Å; A106-Q108 PolarHBondContact O-N 3.32Å; A106-K109 PolarHBondContact O-N 3.49Å; A106-V110 WeakPolarHBondContact O-CG2 3.39Å; A106-V110 PolarHBondContact O-N 2.79Å; A106-V110 VanDerWaalsContact O-N 3.07Å
107C93.5Very high90.6Very high6 Ų654.8 Ų54.84%0.04134%0.336CS..Hα-helixtrans-65.2-38.5178.8-66.70000111.7A103 Y104 K109 V110 I111 A132 L135 A136A103-C107 WeakPolarHBondContact O-CB 3.35Å; A103-C107 PolarHBondContact O-N 2.93Å; A103-C107 PolarHBondContact O-SG 3.44Å; Y104-C107 PolarHBondContact O-N 3.37Å; Y104-C107 VanDerWaalsContact O-N 3.13Å; C107-K109 VanDerWaalsContact C-N 3.35Å; C107-K109 PolarHBondContact O-N 3.13Å; C107-V110 PolarHBondContact O-N 3.06Å; C107-I111 WeakPolarHBondContact O-CG1 3.42Å; C107-I111 PolarHBondContact O-N 3Å; C107-A132 HydrophobicContact CB-CB 4.29Å; C107-A132 WeakPolarHBondContact CB-O 3.43Å; C107-L135 HydrophobicContact CB-CB 4.28Å; C107-L135 HydrophobicContact CB-CD2 4.09Å; C107-L135 HydrophobicContact CB-CG 4.32Å; C107-A136 HydrophobicContact CB-CB 4.43Å
108Q91.7Very high90.6Very high32 Ų3260.3 Ų60.315%0.1537%0.366CS..Hα-helixtrans-59.9-44.4174.1-74.9-178.1-6400111.5Y104 A106 V110 I111 A112 P121 L124 A132Y104-Q108 HydrophobicContact CD1-CG 4.36Å; Y104-Q108 HydrophobicContact CD2-CG 4.17Å; Y104-Q108 HydrophobicContact CE1-CG 4.04Å; Y104-Q108 VanDerWaalsContact CE1-OE1 3.32Å; Y104-Q108 HydrophobicContact CE2-CG 3.83Å; Y104-Q108 HydrophobicContact CG-CG 4.42Å; Y104-Q108 VanDerWaalsContact CZ-CD 3.43Å; Y104-Q108 WeakPolarHBondContact O-CG 3.31Å; Y104-Q108 PolarHBondContact O-N 3.19Å; Y104-Q108 PolarHBondContact OH-NE2 3.45Å; A106-Q108 PolarHBondContact O-N 3.32Å; Q108-V110 VanDerWaalsContact C-N 3.33Å; Q108-V110 PolarHBondContact O-N 3.11Å; Q108-I111 PolarHBondContact O-N 3.17Å; Q108-A112 VanDerWaalsContact O-CB 3.24Å; Q108-A112 WeakPolarHBondContact O-CB 3.24Å; Q108-A112 PolarHBondContact O-N 3.08Å; Q108-P121 HydrophobicContact CB-CB 3.95Å; Q108-P121 HydrophobicContact CB-CG 4.09Å; Q108-L124 HydrophobicContact CB-CD1 3.75Å; Q108-L124 HydrophobicContact CG-CD1 3.89Å; Q108-A132 HydrophobicContact CB-CB 4.36Å; Q108-A132 HydrophobicContact CG-CB 3.72Å
109K91.9Very high90.5Very high125 Ų12557.8 Ų57.854%0.54335%0.352SS..Hα-helixtrans-62-40.8176.1-70.3176.7-179.1-177.10112.1G105 A106 C107 A112 T113 P121G105-K109 WeakPolarHBondContact O-CG 3.22Å; G105-K109 PolarHBondContact O-N 2.85Å; A106-K109 PolarHBondContact O-N 3.49Å; C107-K109 VanDerWaalsContact C-N 3.35Å; C107-K109 PolarHBondContact O-N 3.13Å; K109-A112 PolarHBondContact O-N 3.28Å; K109-T113 WeakPolarHBondContact O-CB 3.22Å; K109-T113 PolarHBondContact O-N 3.47Å; K109-T113 PolarHBondContact O-OG1 2.96Å; K109-P121 HydrophobicContact CG-CG 3.98Å
110V94.6Very high90.4Very high76 Ų7658.8 Ų58.846%0.46136%0.355SS..Hα-helixtrans-61.6-50.9175.5170.70000110.3A106 C107 Q108 A112 T113 V114A106-V110 WeakPolarHBondContact O-CG2 3.39Å; A106-V110 PolarHBondContact O-N 2.79Å; A106-V110 VanDerWaalsContact O-N 3.07Å; C107-V110 PolarHBondContact O-N 3.06Å; Q108-V110 VanDerWaalsContact C-N 3.33Å; Q108-V110 PolarHBondContact O-N 3.11Å; V110-A112 PolarHBondContact O-N 2.89Å; V110-T113 WeakPolarHBondContact O-CB 3.11Å; V110-T113 PolarHBondContact O-N 3.19Å; V110-T113 VanDerWaalsContact O-N 3.16Å; V110-V114 HydrophobicContact CG1-CG2 4.43Å; V110-V114 WeakPolarHBondContact O-CG2 3.42Å; V110-V114 PolarHBondContact O-N 2.85Å
111I94Very high90.2Very high30 Ų3060.4 Ų60.415%0.15437%0.366CS..Hα-helixtrans-63.6-41.4179.4-64-60000111.4C107 Q108 T113 V114 T115 L124 E128 A132C107-I111 WeakPolarHBondContact O-CG1 3.42Å; C107-I111 PolarHBondContact O-N 3Å; Q108-I111 PolarHBondContact O-N 3.17Å; I111-T113 VanDerWaalsContact C-N 3.26Å; I111-T113 PolarHBondContact O-N 3.24Å; I111-V114 PolarHBondContact O-N 3.46Å; I111-T115 HydrophobicContact CG2-CG2 4.14Å; I111-T115 WeakPolarHBondContact O-CB 3.31Å; I111-T115 WeakPolarHBondContact O-CG2 3.35Å; I111-T115 PolarHBondContact O-N 3.5Å; I111-T115 PolarHBondContact O-OG1 3.47Å; I111-L124 HydrophobicContact CG2-CD2 4.08Å; I111-E128 HydrophobicContact CG2-CB 3.89Å; I111-A132 HydrophobicContact CB-CB 4.47Å; I111-A132 HydrophobicContact CG1-CB 4.01Å
112A93.7Very high90.1Very high0 Ų057.7 Ų57.70%037%0.369CS..Hα-helixtrans-62.1-35.3175.600000111.8Q108 K109 V110 T115 G116 K117 L124Q108-A112 VanDerWaalsContact O-CB 3.24Å; Q108-A112 WeakPolarHBondContact O-CB 3.24Å; Q108-A112 PolarHBondContact O-N 3.08Å; K109-A112 PolarHBondContact O-N 3.28Å; V110-A112 PolarHBondContact O-N 2.89Å; A112-T115 PolarHBondContact O-OG1 2.95Å; A112-G116 PolarHBondContact O-N 3.48Å; A112-K117 HydrophobicContact CB-CB 4.31Å; A112-K117 WeakPolarHBondContact O-CA 3.29Å; A112-K117 WeakPolarHBondContact O-CB 3.37Å; A112-K117 PolarHBondContact O-N 2.82Å; A112-L124 HydrophobicContact CB-CD2 3.86Å; A112-L124 HydrophobicContact CB-CG 4.34Å
113T94Very high90.1Very high94 Ų9458.6 Ų58.658%0.57736%0.363SS*.Hα-helixtrans-68.9-46.7174-56.20000111.3K109 V110 I111 T115 G116K109-T113 WeakPolarHBondContact O-CB 3.22Å; K109-T113 PolarHBondContact O-N 3.47Å; K109-T113 PolarHBondContact O-OG1 2.96Å; V110-T113 WeakPolarHBondContact O-CB 3.11Å; V110-T113 PolarHBondContact O-N 3.19Å; V110-T113 VanDerWaalsContact O-N 3.16Å; I111-T113 VanDerWaalsContact C-N 3.26Å; I111-T113 PolarHBondContact O-N 3.24Å; T113-T115 VanDerWaalsContact C-N 3.31Å; T113-T115 PolarHBondContact O-N 2.87Å; T113-G116 PolarHBondContact O-N 2.7Å
114V94.1Very high89.8Confident113 Ų11358.3 Ų58.369%0.68536%0.36SS*.Hα-helixtrans-66.4-32.9-178.2171.30000112.3V110 I111 G116V110-V114 HydrophobicContact CG1-CG2 4.43Å; V110-V114 WeakPolarHBondContact O-CG2 3.42Å; V110-V114 PolarHBondContact O-N 2.85Å; I111-V114 PolarHBondContact O-N 3.46Å; V114-G116 VanDerWaalsContact C-N 3.32Å
115T93.4Very high89.7Confident59 Ų5962.5 Ų62.536%0.36238%0.38SS..THydrogen-bonded Turntrans-86.92.6179.3540000113.6I111 A112 T113 E128I111-T115 HydrophobicContact CG2-CG2 4.14Å; I111-T115 WeakPolarHBondContact O-CB 3.31Å; I111-T115 WeakPolarHBondContact O-CG2 3.35Å; I111-T115 PolarHBondContact O-N 3.5Å; I111-T115 PolarHBondContact O-OG1 3.47Å; A112-T115 PolarHBondContact O-OG1 2.95Å; T113-T115 VanDerWaalsContact C-N 3.31Å; T113-T115 PolarHBondContact O-N 2.87Å; T115-E128 HydrophobicContact CG2-CG 4.21Å
116G90.6Very high89.6Confident58 Ų5862.1 Ų62.160%0.59837%0.372SS*.THydrogen-bonded Turntrans77.120.2177.800000114.7A112 T113 V114 N118A112-G116 PolarHBondContact O-N 3.48Å; T113-G116 PolarHBondContact O-N 2.7Å; V114-G116 VanDerWaalsContact C-N 3.32Å; G116-N118 VanDerWaalsContact C-N 3.29Å; G116-N118 PolarHBondContact O-N 3.37Å
117K89.9Confident89.6Confident48 Ų4864.7 Ų64.721%0.20938%0.377CS..SBendtrans-93.332.1-179.6-62.9-175.6171-172.20113.2A112 G119 D120 N123 L124 E128A112-K117 HydrophobicContact CB-CB 4.31Å; A112-K117 WeakPolarHBondContact O-CA 3.29Å; A112-K117 WeakPolarHBondContact O-CB 3.37Å; A112-K117 PolarHBondContact O-N 2.82Å; K117-G119 PolarHBondContact O-N 2.77Å; K117-D120 PolarHBondContact O-N 3.39Å; K117-N123 HydrophobicContact CB-CB 4.3Å; K117-N123 HydrophobicContact CD-CB 4.05Å; K117-N123 WeakPolarHBondContact CD-O 3.25Å; K117-N123 WeakPolarHBondContact CE-O 3.42Å; K117-N123 HydrophobicContact CG-CB 4.49Å; K117-N123 PolarHBondContact NZ-O 2.73Å; K117-L124 HydrophobicContact CD-CD2 4.2Å; K117-E128 WeakPolarHBondContact CE-OE1 3.47Å; K117-E128 WeakPolarHBondContact CE-OE2 3.44Å; K117-E128 VanDerWaalsContact NZ-CD 3.3Å; K117-E128 IonicContact NZ-OE1 2.7Å; K117-E128 PolarHBondContact NZ-OE1 2.93Å; K117-E128 IonicContact NZ-OE2 3.85Å; K117-E128 PolarHBondContact NZ-OE2 2.91Å
118N86.2Confident89.4Confident165 Ų16566.3 Ų66.388%0.88238%0.384SS*.THydrogen-bonded Turntrans51.823.3179.4-61.7-34.8000115.1G116 D120G116-N118 VanDerWaalsContact C-N 3.29Å; G116-N118 PolarHBondContact O-N 3.37Å; N118-D120 PolarHBondContact O-N 3.42Å
119G84.6Confident89.3Confident20 Ų2064.9 Ų64.921%0.20638%0.377CS..THydrogen-bonded Turntrans72.110.3-176.800000114.9K117 P121K117-G119 PolarHBondContact O-N 2.77Å; G119-P121 VanDerWaalsContact O-CD 3.29Å; G119-P121 WeakPolarHBondContact O-CD 3.41Å
120D87.2Confident89.2Confident66 Ų6659 Ų5935%0.35335%0.352SS..  trans-88.8111179.1-177.86000111.7K117 N118 A122 N123K117-D120 PolarHBondContact O-N 3.39Å; N118-D120 PolarHBondContact O-N 3.42Å; D120-A122 PolarHBondContact O-N 3.49Å; D120-A122 WeakPolarHBondContact OD1-CB 3.3Å; D120-A122 PolarHBondContact OD1-N 2.84Å; D120-N123 PolarHBondContact O-N 3.41Å; D120-N123 PolarHBondContact OD2-ND2 3.24Å
121P84.4Confident89.1Confident39 Ų3957.8 Ų57.825%0.25335%0.346SS..G310 helixtrans-60.5-24.1177.4-26.138.9000114.8Q108 K109 G119 N123 L124Q108-P121 HydrophobicContact CB-CB 3.95Å; Q108-P121 HydrophobicContact CB-CG 4.09Å; K109-P121 HydrophobicContact CG-CG 3.98Å; G119-P121 VanDerWaalsContact O-CD 3.29Å; G119-P121 WeakPolarHBondContact O-CD 3.41Å; P121-N123 PolarHBondContact O-N 3.16Å; P121-L124 HydrophobicContact CB-CD1 4.37Å; P121-L124 WeakPolarHBondContact O-CB 3.33Å; P121-L124 WeakPolarHBondContact O-CG 3.33Å; P121-L124 PolarHBondContact O-N 2.89Å
122A83.2Confident89.1Confident80 Ų8056.3 Ų56.366%0.66134%0.339SS*.G310 helixtrans-65.1-28.4-176.800000112.4D120 L124D120-A122 PolarHBondContact O-N 3.49Å; D120-A122 WeakPolarHBondContact OD1-CB 3.3Å; D120-A122 PolarHBondContact OD1-N 2.84Å; A122-L124 VanDerWaalsContact C-N 3.31Å; A122-L124 PolarHBondContact O-N 3.32Å
123N85.7Confident88.9Confident94 Ų9456.3 Ų56.350%0.50334%0.339SS..G310 helixtrans-85.3-1.8-179.2-64-50.7000113.2K117 D120 P121 H125K117-N123 HydrophobicContact CB-CB 4.3Å; K117-N123 HydrophobicContact CD-CB 4.05Å; K117-N123 WeakPolarHBondContact CD-O 3.25Å; K117-N123 WeakPolarHBondContact CE-O 3.42Å; K117-N123 HydrophobicContact CG-CB 4.49Å; K117-N123 PolarHBondContact NZ-O 2.73Å; D120-N123 PolarHBondContact O-N 3.41Å; D120-N123 PolarHBondContact OD2-ND2 3.24Å; P121-N123 PolarHBondContact O-N 3.16Å; N123-H125 PolarHBondContact O-N 3.47Å
124L86.3Confident88.9Confident7 Ų752.4 Ų52.44%0.03732%0.315CS..  trans-67128.8-177.8-67.5177.9000111.5Q108 I111 A112 K117 P121 A122 E128 S129Q108-L124 HydrophobicContact CB-CD1 3.75Å; Q108-L124 HydrophobicContact CG-CD1 3.89Å; I111-L124 HydrophobicContact CG2-CD2 4.08Å; A112-L124 HydrophobicContact CB-CD2 3.86Å; A112-L124 HydrophobicContact CB-CG 4.34Å; K117-L124 HydrophobicContact CD-CD2 4.2Å; P121-L124 HydrophobicContact CB-CD1 4.37Å; P121-L124 WeakPolarHBondContact O-CB 3.33Å; P121-L124 WeakPolarHBondContact O-CG 3.33Å; P121-L124 PolarHBondContact O-N 2.89Å; A122-L124 VanDerWaalsContact C-N 3.31Å; A122-L124 PolarHBondContact O-N 3.32Å; L124-E128 VanDerWaalsContact CA-OE2 3.3Å; L124-E128 WeakPolarHBondContact CA-OE2 3.47Å; L124-E128 HydrophobicContact CB-CB 4.34Å; L124-E128 HydrophobicContact CD2-CB 3.89Å; L124-S129 WeakPolarHBondContact CB-OG 3.29Å
125H87.3Confident88.9Confident113 Ų11350.4 Ų50.452%0.52330%0.3SS..  trans-73.3155172.6-139.6-113.9000109.3N123 I127 E128 S129N123-H125 PolarHBondContact O-N 3.47Å; H125-I127 PolarHBondContact O-N 2.84Å; H125-E128 HydrophobicContact CB-CG 4.46Å; H125-E128 PolarHBondContact N-OE2 3.49Å; H125-E128 WeakPolarHBondContact O-CB 3.27Å; H125-E128 PolarHBondContact O-N 3.11Å; H125-S129 PolarHBondContact O-N 3.47Å
126P84.8Confident88.8Confident21 Ų2147.6 Ų47.614%0.13628%0.283CS..Hα-helixtrans-49.5-37.9-177-32.937.8000115.1A130 E212P126-A130 WeakPolarHBondContact O-CB 3.3Å; P126-A130 PolarHBondContact O-N 3.49Å; P126-E212 HydrophobicContact CB-CB 3.8Å; P126-E212 HydrophobicContact CG-CB 4.29Å
127I90Very high88.9Confident113 Ų11344.9 Ų44.958%0.57926%0.255SS*.Hα-helixtrans-67.1-39177.4-65.1170.3000111.8H125 A130 C131H125-I127 PolarHBondContact O-N 2.84Å; I127-A130 WeakPolarHBondContact O-CB 3.41Å; I127-A130 PolarHBondContact O-N 3.4Å; I127-C131 PolarHBondContact O-N 2.93Å; I127-C131 PolarHBondContact O-SG 2.91Å
128E90.8Very high89.1Confident39 Ų3945.1 Ų45.118%0.18226%0.26CS..Hα-helixtrans-73-38.4179.8-60.1166.2157.600111.2I111 T115 K117 L124 H125 A130 C131 A132I111-E128 HydrophobicContact CG2-CB 3.89Å; T115-E128 HydrophobicContact CG2-CG 4.21Å; K117-E128 WeakPolarHBondContact CE-OE1 3.47Å; K117-E128 WeakPolarHBondContact CE-OE2 3.44Å; K117-E128 VanDerWaalsContact NZ-CD 3.3Å; K117-E128 IonicContact NZ-OE1 2.7Å; K117-E128 PolarHBondContact NZ-OE1 2.93Å; K117-E128 IonicContact NZ-OE2 3.85Å; K117-E128 PolarHBondContact NZ-OE2 2.91Å; L124-E128 VanDerWaalsContact CA-OE2 3.3Å; L124-E128 WeakPolarHBondContact CA-OE2 3.47Å; L124-E128 HydrophobicContact CB-CB 4.34Å; L124-E128 HydrophobicContact CD2-CB 3.89Å; H125-E128 HydrophobicContact CB-CG 4.46Å; H125-E128 PolarHBondContact N-OE2 3.49Å; H125-E128 WeakPolarHBondContact O-CB 3.27Å; H125-E128 PolarHBondContact O-N 3.11Å; E128-A130 VanDerWaalsContact C-N 3.29Å; E128-A130 PolarHBondContact O-N 3Å; E128-C131 WeakPolarHBondContact O-CB 3.3Å; E128-C131 PolarHBondContact O-N 3.01Å; E128-A132 PolarHBondContact O-N 3.41Å
129S88.6Confident89.4Confident3 Ų342.3 Ų42.32%0.02124%0.24CC..Hα-helixtrans-60.7-40.1169.3-65.10000111.4L124 H125 A132 G133L124-S129 WeakPolarHBondContact CB-OG 3.29Å; H125-S129 PolarHBondContact O-N 3.47Å; S129-A132 WeakPolarHBondContact O-CB 3.44Å; S129-A132 PolarHBondContact O-N 3.49Å; S129-G133 PolarHBondContact O-N 2.93Å
130A90.1Very high89.7Confident0 Ų041.3 Ų41.30%023%0.23CC..Hα-helixtrans-62.1-42.3173.400000112.5P126 I127 E128 G133 S134 F205 F208P126-A130 WeakPolarHBondContact O-CB 3.3Å; P126-A130 PolarHBondContact O-N 3.49Å; I127-A130 WeakPolarHBondContact O-CB 3.41Å; I127-A130 PolarHBondContact O-N 3.4Å; E128-A130 VanDerWaalsContact C-N 3.29Å; E128-A130 PolarHBondContact O-N 3Å; A130-G133 PolarHBondContact O-N 3.27Å; A130-S134 WeakPolarHBondContact O-CB 3.5Å; A130-S134 PolarHBondContact O-N 3.5Å; A130-S134 PolarHBondContact O-OG 3.41Å; A130-F205 HydrophobicContact CB-CD2 3.74Å; A130-F205 HydrophobicContact CB-CE2 3.82Å; A130-F205 HydrophobicContact CB-CG 4.38Å; A130-F205 WeakPolarHBondContact CB-O 3.45Å; A130-F208 HydrophobicContact CB-CB 4.33Å
131C93.3Very high89.9Confident51 Ų5138.2 Ų38.235%0.34521%0.214SC..Hα-helixtrans-61.9-42.3172.8-69.90000112.1I127 E128 G133 S134 L135I127-C131 PolarHBondContact O-N 2.93Å; I127-C131 PolarHBondContact O-SG 2.91Å; E128-C131 WeakPolarHBondContact O-CB 3.3Å; E128-C131 PolarHBondContact O-N 3.01Å; C131-G133 VanDerWaalsContact C-N 3.34Å; C131-G133 PolarHBondContact O-N 3.39Å; C131-S134 WeakPolarHBondContact O-CB 3.32Å; C131-S134 PolarHBondContact O-N 3.17Å; C131-L135 PolarHBondContact O-N 3.25Å
132A92.2Very high90.3Very high0 Ų038.9 Ų38.90%022%0.219CC..Hα-helixtrans-62-41.9175.800000111.8Y104 C107 Q108 I111 E128 S129 L135 A136Y104-A132 HydrophobicContact CD2-CB 4.38Å; Y104-A132 HydrophobicContact CE2-CB 4.02Å; C107-A132 HydrophobicContact CB-CB 4.29Å; C107-A132 WeakPolarHBondContact CB-O 3.43Å; Q108-A132 HydrophobicContact CB-CB 4.36Å; Q108-A132 HydrophobicContact CG-CB 3.72Å; I111-A132 HydrophobicContact CB-CB 4.47Å; I111-A132 HydrophobicContact CG1-CB 4.01Å; E128-A132 PolarHBondContact O-N 3.41Å; S129-A132 WeakPolarHBondContact O-CB 3.44Å; S129-A132 PolarHBondContact O-N 3.49Å; A132-L135 PolarHBondContact O-N 2.99Å; A132-A136 WeakPolarHBondContact O-CB 3.36Å; A132-A136 PolarHBondContact O-N 3.43Å
133G90.7Very high90.6Very high0 Ų037 Ų370%020%0.199CC..Hα-helixtrans-62.6-41.117400000113S129 A130 C131 L135 A136 S137 F208S129-G133 PolarHBondContact O-N 2.93Å; A130-G133 PolarHBondContact O-N 3.27Å; C131-G133 VanDerWaalsContact C-N 3.34Å; C131-G133 PolarHBondContact O-N 3.39Å; G133-L135 VanDerWaalsContact C-N 3.35Å; G133-L135 PolarHBondContact O-N 3.25Å; G133-A136 PolarHBondContact O-N 3.04Å; G133-S137 PolarHBondContact O-N 2.89Å; G133-F208 VanDerWaalsContact CA-CD2 3.47Å
134S93.1Very high90.8Very high12 Ų1233 Ų338%0.08418%0.177CC..Hα-helixtrans-64.5-38.5176-51.90000112.2A130 C131 S137 V201 F205A130-S134 WeakPolarHBondContact O-CB 3.5Å; A130-S134 PolarHBondContact O-N 3.5Å; A130-S134 PolarHBondContact O-OG 3.41Å; C131-S134 WeakPolarHBondContact O-CB 3.32Å; C131-S134 PolarHBondContact O-N 3.17Å; S134-S137 PolarHBondContact O-OG 2.94Å; S134-V201 PolarHBondContact OG-O 3.45Å; S134-F205 WeakPolarHBondContact OG-CA 3.35Å; S134-F205 WeakPolarHBondContact OG-CB 3.35Å; S134-F205 PolarHBondContact OG-N 3.13Å
135L93.9Very high90.8Very high71 Ų7132.8 Ų32.837%0.37218%0.176SC..Hα-helixtrans-69.5-42.3175.2-177.260.8000111.3C107 C131 A132 G133 S137 V138C107-L135 HydrophobicContact CB-CB 4.28Å; C107-L135 HydrophobicContact CB-CD2 4.09Å; C107-L135 HydrophobicContact CB-CG 4.32Å; C131-L135 PolarHBondContact O-N 3.25Å; A132-L135 PolarHBondContact O-N 2.99Å; G133-L135 VanDerWaalsContact C-N 3.35Å; G133-L135 PolarHBondContact O-N 3.25Å; L135-S137 PolarHBondContact O-N 3.36Å; L135-V138 WeakPolarHBondContact O-CB 3.43Å; L135-V138 PolarHBondContact O-N 3.15Å
136A93Very high90.9Very high0 Ų028.7 Ų28.70%016%0.16CC..Hα-helixtrans-60.5-32.5176.800000112.4L100 A103 Y104 C107 A132 G133 V138 F139 A140L100-A136 HydrophobicContact CD1-CB 4.01Å; A103-A136 HydrophobicContact CB-CB 3.99Å; Y104-A136 HydrophobicContact CD2-CB 4.41Å; C107-A136 HydrophobicContact CB-CB 4.43Å; A132-A136 WeakPolarHBondContact O-CB 3.36Å; A132-A136 PolarHBondContact O-N 3.43Å; G133-A136 PolarHBondContact O-N 3.04Å; A136-V138 PolarHBondContact O-N 2.82Å; A136-F139 WeakPolarHBondContact O-CB 3.07Å; A136-F139 PolarHBondContact O-N 3.45Å; A136-F139 VanDerWaalsContact O-N 3.08Å; A136-A140 PolarHBondContact O-N 3.24Å
137S92.2Very high91.1Very high0 Ų029.8 Ų29.80%017%0.167CC..Hα-helixtrans-66.5-22.6-179.788.20000114G133 S134 L135 F139 A140 A141 E200 V201G133-S137 PolarHBondContact O-N 2.89Å; S134-S137 PolarHBondContact O-OG 2.94Å; L135-S137 PolarHBondContact O-N 3.36Å; S137-F139 VanDerWaalsContact C-N 3.26Å; S137-F139 PolarHBondContact O-N 3.09Å; S137-A140 PolarHBondContact O-N 3.36Å; S137-A141 WeakPolarHBondContact O-CB 3.42Å; S137-A141 PolarHBondContact O-N 2.9Å; S137-E200 VanDerWaalsContact OG-C 3.29Å; S137-E200 PolarHBondContact OG-O 3.31Å; S137-V201 VanDerWaalsContact OG-CA 3.3Å; S137-V201 WeakPolarHBondContact OG-CA 3.4Å; S137-V201 WeakPolarHBondContact OG-CG2 3.06Å; S137-V201 PolarHBondContact OG-N 2.9Å
138V93.9Very high90.7Very high54 Ų5426.2 Ų26.233%0.32715%0.147SC..Hα-helixtrans-61.7-38.9172.3-179.90000110.7L135 A136 A141 C142 F193 V201L135-V138 WeakPolarHBondContact O-CB 3.43Å; L135-V138 PolarHBondContact O-N 3.15Å; A136-V138 PolarHBondContact O-N 2.82Å; V138-A141 WeakPolarHBondContact O-CB 3.41Å; V138-A141 PolarHBondContact O-N 3.12Å; V138-C142 PolarHBondContact O-N 3.47Å; V138-C142 PolarHBondContact O-SG 3.29Å; V138-F193 HydrophobicContact CG1-CZ 4.44Å; V138-V201 HydrophobicContact CG2-CG2 3.76Å
139F93.3Very high90.3Very high105 Ų10525.5 Ų25.546%0.46114%0.144SC..Hα-helixtrans-71.8-41.2175.8-59.8-86.7000111.2V99 A103 A136 S137 A141 C142V99-F139 VanDerWaalsContact CG1-C 3.46Å; V99-F139 HydrophobicContact CG1-CB 3.69Å; V99-F139 WeakPolarHBondContact CG1-O 3.32Å; A103-F139 HydrophobicContact CB-CB 3.88Å; A103-F139 HydrophobicContact CB-CD2 3.74Å; A103-F139 HydrophobicContact CB-CG 3.94Å; A136-F139 WeakPolarHBondContact O-CB 3.07Å; A136-F139 PolarHBondContact O-N 3.45Å; A136-F139 VanDerWaalsContact O-N 3.08Å; S137-F139 VanDerWaalsContact C-N 3.26Å; S137-F139 PolarHBondContact O-N 3.09Å; F139-A141 VanDerWaalsContact C-N 3.26Å; F139-A141 PolarHBondContact O-N 2.95Å; F139-C142 VanDerWaalsContact O-CB 3.28Å; F139-C142 WeakPolarHBondContact O-CB 3.39Å; F139-C142 PolarHBondContact O-N 3.25Å
140A91Very high90.1Very high0 Ų026 Ų260%015%0.147CC..Hα-helixtrans-58.8-39.3174.200000111.5E96 L100 A136 S137 C142 V143 L144E96-A140 HydrophobicContact CG-CB 4.12Å; L100-A140 HydrophobicContact CB-CB 4.22Å; L100-A140 HydrophobicContact CD1-CB 4.22Å; A136-A140 PolarHBondContact O-N 3.24Å; S137-A140 PolarHBondContact O-N 3.36Å; A140-C142 PolarHBondContact O-N 3.04Å; A140-V143 PolarHBondContact O-N 3.29Å; A140-L144 WeakPolarHBondContact O-CB 3.28Å; A140-L144 PolarHBondContact O-N 3.39Å
141A90.9Very high89.7Confident0 Ų028.9 Ų28.90%016%0.16CC..Hα-helixtrans-60.2-2817600000113.2S137 V138 F139 V143 L144 C145 F193 T196 E200S137-A141 WeakPolarHBondContact O-CB 3.42Å; S137-A141 PolarHBondContact O-N 2.9Å; V138-A141 WeakPolarHBondContact O-CB 3.41Å; V138-A141 PolarHBondContact O-N 3.12Å; F139-A141 VanDerWaalsContact C-N 3.26Å; F139-A141 PolarHBondContact O-N 2.95Å; A141-V143 PolarHBondContact O-N 3.39Å; A141-L144 PolarHBondContact O-N 3.14Å; A141-C145 WeakPolarHBondContact O-CB 3.47Å; A141-C145 PolarHBondContact O-N 3.19Å; A141-F193 HydrophobicContact CB-CD2 4.46Å; A141-F193 HydrophobicContact CB-CE2 3.8Å; A141-F193 HydrophobicContact CB-CZ 4.27Å; A141-T196 HydrophobicContact CB-CG2 4.03Å; A141-E200 HydrophobicContact CB-CG 4.33Å
142C91.5Very high88.8Confident54 Ų5428 Ų2837%0.36515%0.154SC..Hα-helixtrans-65.9-28.2176.6-66.30000112.6V138 F139 A140 P146 F190V138-C142 PolarHBondContact O-N 3.47Å; V138-C142 PolarHBondContact O-SG 3.29Å; F139-C142 VanDerWaalsContact O-CB 3.28Å; F139-C142 WeakPolarHBondContact O-CB 3.39Å; F139-C142 PolarHBondContact O-N 3.25Å; A140-C142 PolarHBondContact O-N 3.04Å; C142-P146 VanDerWaalsContact O-CD 3.23Å; C142-P146 WeakPolarHBondContact O-CD 3.22Å; C142-P146 WeakPolarHBondContact O-CG 3.32Å; C142-F190 HydrophobicContact CB-CE1 4.46Å; C142-F190 WeakPolarHBondContact O-CE1 3.5Å
143V90.6Very high88.3Confident40 Ų4030.8 Ų30.824%0.24216%0.164CC..Hα-helixtrans-92.9-36175.8173.60000111.3A95 V99 A140 A141 P146 T147A95-V143 HydrophobicContact CB-CG1 3.38Å; V99-V143 HydrophobicContact CB-CG2 4.43Å; V99-V143 HydrophobicContact CG2-CG2 3.69Å; A140-V143 PolarHBondContact O-N 3.29Å; A141-V143 PolarHBondContact O-N 3.39Å; V143-P146 WeakPolarHBondContact O-CD 3.23Å; V143-P146 WeakPolarHBondContact O-CG 3.41Å; V143-T147 WeakPolarHBondContact O-CG2 3.49Å; V143-T147 PolarHBondContact O-OG1 3.03Å
144L88.7Confident87.9Confident9 Ų932.4 Ų32.45%0.04717%0.173CC..Hα-helixtrans-72.1-40.4-177.1-168.159000112.3A140 A141 T147 E148 T196 E200A140-L144 WeakPolarHBondContact O-CB 3.28Å; A140-L144 PolarHBondContact O-N 3.39Å; A141-L144 PolarHBondContact O-N 3.14Å; L144-T147 WeakPolarHBondContact CA-OG1 3.14Å; L144-T147 PolarHBondContact O-N 2.89Å; L144-T147 PolarHBondContact O-OG1 3.36Å; L144-E148 HydrophobicContact CD1-CG 3.89Å; L144-E148 HydrophobicContact CG-CG 3.93Å; L144-E148 VanDerWaalsContact O-CB 3.29Å; L144-E148 WeakPolarHBondContact O-CB 3.36Å; L144-E148 WeakPolarHBondContact O-CG 3.32Å; L144-E148 PolarHBondContact O-N 3.05Å; L144-T196 HydrophobicContact CB-CG2 4.39Å; L144-T196 HydrophobicContact CD2-CG2 4.24Å; L144-T196 HydrophobicContact CG-CG2 4.38Å; L144-E200 HydrophobicContact CD2-CG 4.18Å; L144-E200 VanDerWaalsContact CD2-OE1 3.3Å; L144-E200 WeakPolarHBondContact CD2-OE1 3.28Å
145C88.1Confident86.8Confident3 Ų334.9 Ų34.92%0.0218%0.183CC..Hα-helixtrans-54.3-54.8179.5-177.60000113.8A141 T147 E148 L149 F193A141-C145 WeakPolarHBondContact O-CB 3.47Å; A141-C145 PolarHBondContact O-N 3.19Å; C145-T147 VanDerWaalsContact C-N 3.35Å; C145-T147 PolarHBondContact O-N 2.94Å; C145-E148 PolarHBondContact O-N 3.21Å; C145-L149 WeakPolarHBondContact O-CB 3.13Å; C145-L149 PolarHBondContact O-N 3.33Å; C145-F193 HydrophobicContact CB-CD2 4.05Å
146P89.4Confident85.8Confident27 Ų2734.6 Ų34.618%0.17519%0.185CC..Hα-helixtrans-64.7-38.4-179.324.3-34.8000112.8C142 V143 L149 V150 L189C142-P146 VanDerWaalsContact O-CD 3.23Å; C142-P146 WeakPolarHBondContact O-CD 3.22Å; C142-P146 WeakPolarHBondContact O-CG 3.32Å; V143-P146 WeakPolarHBondContact O-CD 3.23Å; V143-P146 WeakPolarHBondContact O-CG 3.41Å; P146-L149 PolarHBondContact O-N 3.16Å; P146-V150 WeakPolarHBondContact O-CG2 3.38Å; P146-V150 PolarHBondContact O-N 3.3Å; P146-V150 VanDerWaalsContact O-N 3.11Å; P146-L189 WeakPolarHBondContact CA-O 3.39Å; P146-L189 HydrophobicContact CB-CB 4.12Å
147T87.2Confident85Confident45 Ų4537.1 Ų37.128%0.27620%0.196SC..Hα-helixtrans-69.3-42.3-179.653.20000111.7A92 V143 L144 C145 K151A92-T147 HydrophobicContact CB-CG2 4.37Å; V143-T147 WeakPolarHBondContact O-CG2 3.49Å; V143-T147 PolarHBondContact O-OG1 3.03Å; L144-T147 WeakPolarHBondContact CA-OG1 3.14Å; L144-T147 PolarHBondContact O-N 2.89Å; L144-T147 PolarHBondContact O-OG1 3.36Å; C145-T147 VanDerWaalsContact C-N 3.35Å; C145-T147 PolarHBondContact O-N 2.94Å; T147-K151 VanDerWaalsContact O-CB 3.3Å; T147-K151 WeakPolarHBondContact O-CB 3.3Å; T147-K151 PolarHBondContact O-N 3.35Å
148E81.7Confident84Confident37 Ų3742.5 Ų42.517%0.17322%0.217CC..Hα-helixtrans-63.3-43.8173-76.3-164.4147.300112.1L144 C145 V150 K151 C152 R199 K255L144-E148 HydrophobicContact CD1-CG 3.89Å; L144-E148 HydrophobicContact CG-CG 3.93Å; L144-E148 VanDerWaalsContact O-CB 3.29Å; L144-E148 WeakPolarHBondContact O-CB 3.36Å; L144-E148 WeakPolarHBondContact O-CG 3.32Å; L144-E148 PolarHBondContact O-N 3.05Å; C145-E148 PolarHBondContact O-N 3.21Å; E148-V150 PolarHBondContact O-N 3.2Å; E148-K151 PolarHBondContact O-N 3.43Å; E148-C152 WeakPolarHBondContact O-CB 2.95Å; E148-C152 PolarHBondContact O-N 2.87Å; E148-C152 PolarHBondContact O-SG 3.09Å; E148-R199 VanDerWaalsContact CD-NH2 3.29Å; E148-R199 IonicContact OE1-CZ 3.27Å; E148-R199 IonicContact OE1-NH1 2.85Å; E148-R199 PolarHBondContact OE1-NH1 2.98Å; E148-R199 IonicContact OE1-NH2 3.48Å; E148-R199 PolarHBondContact OE1-NH2 3.46Å; E148-R199 IonicContact OE2-CZ 3.11Å; E148-R199 IonicContact OE2-NH1 2.88Å; E148-R199 IonicContact OE2-NH2 3.14Å; E148-R199 PolarHBondContact OE2-NH2 3.34Å; E148-K255 IonicContact OE1-NZ 2.65Å; E148-K255 IonicContact OE2-NZ 3.3Å; E148-K255 PolarHBondContact OE2-NZ 3.46Å
149L83.1Confident82.8Confident24 Ų2442.5 Ų42.513%0.12621%0.213CC..Hα-helixtrans-59.3-49.1180179.769.4000111.1C145 P146 C152 R153 I180 G188 R191C145-L149 WeakPolarHBondContact O-CB 3.13Å; C145-L149 PolarHBondContact O-N 3.33Å; P146-L149 PolarHBondContact O-N 3.16Å; L149-C152 PolarHBondContact O-N 3.34Å; L149-R153 PolarHBondContact O-N 3.44Å; L149-I180 HydrophobicContact CD2-CD1 4.3Å; L149-G188 WeakPolarHBondContact CD2-O 3.46Å; L149-R191 HydrophobicContact CD2-CB 4.48Å
150V84.6Confident81.7Confident13 Ų1342.6 Ų42.68%0.07922%0.218CC..Hα-helixtrans-62.8-45.2178.6171.70000110.6P146 E148 C152 R153 L154 P173 M176 T177 I180 L189P146-V150 WeakPolarHBondContact O-CG2 3.38Å; P146-V150 PolarHBondContact O-N 3.3Å; P146-V150 VanDerWaalsContact O-N 3.11Å; E148-V150 PolarHBondContact O-N 3.2Å; V150-C152 PolarHBondContact O-N 2.86Å; V150-R153 PolarHBondContact O-N 2.89Å; V150-L154 HydrophobicContact CG1-CD1 4.12Å; V150-L154 HydrophobicContact CG1-CG 4.44Å; V150-L154 WeakPolarHBondContact O-CB 3.32Å; V150-L154 VanDerWaalsContact O-CG 3.32Å; V150-L154 WeakPolarHBondContact O-CG 3.44Å; V150-L154 PolarHBondContact O-N 2.78Å; V150-P173 HydrophobicContact CG1-CB 4.04Å; V150-M176 HydrophobicContact CG1-CB 4.19Å; V150-M176 HydrophobicContact CG1-CG 4.05Å; V150-T177 WeakPolarHBondContact CG2-OG1 3.14Å; V150-I180 HydrophobicContact CG2-CD1 3.98Å; V150-L189 HydrophobicContact CG2-CD2 4.45Å
151K81.6Confident80.7Confident62 Ų6243.6 Ų43.627%0.2723%0.225SC..Hα-helixtrans-57.7-47.6176.5179.5179.5174.7-177.50111.4T147 E148 L154 Q155T147-K151 VanDerWaalsContact O-CB 3.3Å; T147-K151 WeakPolarHBondContact O-CB 3.3Å; T147-K151 PolarHBondContact O-N 3.35Å; E148-K151 PolarHBondContact O-N 3.43Å; K151-L154 PolarHBondContact O-N 3.13Å; K151-Q155 WeakPolarHBondContact O-CB 3.27Å; K151-Q155 VanDerWaalsContact O-CG 3.28Å; K151-Q155 WeakPolarHBondContact O-CG 3.37Å; K151-Q155 PolarHBondContact O-N 2.96Å
152C74.9Confident79.5Confident32 Ų3246.2 Ų46.222%0.21625%0.252CS..Hα-helixtrans-63.3-47.5-179.8-67.20000111.5E148 L149 V150 L154 Q155 T156E148-C152 WeakPolarHBondContact O-CB 2.95Å; E148-C152 PolarHBondContact O-N 2.87Å; E148-C152 PolarHBondContact O-SG 3.09Å; L149-C152 PolarHBondContact O-N 3.34Å; V150-C152 PolarHBondContact O-N 2.86Å; C152-L154 VanDerWaalsContact C-N 3.35Å; C152-L154 PolarHBondContact O-N 3.22Å; C152-Q155 PolarHBondContact O-N 2.85Å; C152-T156 PolarHBondContact O-N 3.27Å; C152-T156 PolarHBondContact O-OG1 2.99Å; C152-T156 VanDerWaalsContact O-OG1 3.11Å
153R82Confident78.2Confident58 Ų5849.5 Ų49.522%0.21926%0.264CS..Hα-helixtrans-60-44.4178.3-71.1-165.7-172.6-163.73.4111.9L149 V150 T156 E157 M176 E184L149-R153 PolarHBondContact O-N 3.44Å; V150-R153 PolarHBondContact O-N 2.89Å; R153-T156 PolarHBondContact O-N 3.37Å; R153-E157 WeakPolarHBondContact O-CG 3.35Å; R153-E157 PolarHBondContact O-N 3.26Å; R153-M176 HydrophobicContact CB-CE 4.15Å; R153-M176 HydrophobicContact CB-CG 4.21Å; R153-M176 HydrophobicContact CB-SD 3.77Å; R153-M176 HydrophobicContact CG-SD 4.45Å; R153-E184 IonicContact CZ-OE1 3.22Å; R153-E184 VanDerWaalsContact CZ-OE1 3.31Å; R153-E184 IonicContact NH1-OE1 2.76Å; R153-E184 PolarHBondContact NH1-OE1 2.88Å; R153-E184 IonicContact NH2-OE1 3.86Å; R153-E184 PolarHBondContact NH2-OE1 3.41Å; R153-E184 IonicContact NH2-OE2 2.63Å; R153-E184 PolarHBondContact NH2-OE2 3.08Å
154L80.4Confident77.1Confident34 Ų3451.1 Ų51.118%0.17828%0.282CS..Hα-helixtrans-61.7-43.3176-74.1178.2000112.9V150 K151 C152 R158 R171 P173 M176V150-L154 HydrophobicContact CG1-CD1 4.12Å; V150-L154 HydrophobicContact CG1-CG 4.44Å; V150-L154 WeakPolarHBondContact O-CB 3.32Å; V150-L154 VanDerWaalsContact O-CG 3.32Å; V150-L154 WeakPolarHBondContact O-CG 3.44Å; V150-L154 PolarHBondContact O-N 2.78Å; K151-L154 PolarHBondContact O-N 3.13Å; C152-L154 VanDerWaalsContact C-N 3.35Å; C152-L154 PolarHBondContact O-N 3.22Å; L154-R158 WeakPolarHBondContact O-CB 3.22Å; L154-R158 PolarHBondContact O-N 2.85Å; L154-R158 VanDerWaalsContact O-N 3.08Å; L154-R171 HydrophobicContact CD2-CB 4.32Å; L154-R171 VanDerWaalsContact CD2-O 3.22Å; L154-R171 WeakPolarHBondContact CD2-O 3.18Å; L154-P173 HydrophobicContact CD1-CB 3.93Å; L154-M176 HydrophobicContact CD2-CB 3.94Å; L154-M176 HydrophobicContact CD2-CE 4.19Å; L154-M176 HydrophobicContact CD2-CG 4.33Å; L154-M176 HydrophobicContact CG-CB 4.26Å; L154-M176 HydrophobicContact CG-CG 4.3Å
155Q71.1Confident75.9Confident64 Ų6458.2 Ų58.230%0.29932%0.32SS..Hα-helixtrans-65-44179.1-75.9178.3-22.100111.3K151 C152 R158 E159K151-Q155 WeakPolarHBondContact O-CB 3.27Å; K151-Q155 VanDerWaalsContact O-CG 3.28Å; K151-Q155 WeakPolarHBondContact O-CG 3.37Å; K151-Q155 PolarHBondContact O-N 2.96Å; C152-Q155 PolarHBondContact O-N 2.85Å; Q155-R158 PolarHBondContact O-N 3.45Å; Q155-E159 WeakPolarHBondContact O-CG 3.33Å; Q155-E159 PolarHBondContact O-N 2.84Å; Q155-E159 VanDerWaalsContact O-N 3.13Å
156T72.4Confident74.4Confident66 Ų6659.8 Ų59.841%0.40534%0.337SS..Hα-helixtrans-61.5-47.2176.6-60.80000111.8C152 R153 R158 E159 L160C152-T156 PolarHBondContact O-N 3.27Å; C152-T156 PolarHBondContact O-OG1 2.99Å; C152-T156 VanDerWaalsContact O-OG1 3.11Å; R153-T156 PolarHBondContact O-N 3.37Å; T156-R158 VanDerWaalsContact C-N 3.3Å; T156-R158 PolarHBondContact O-N 3.35Å; T156-E159 PolarHBondContact O-N 3.42Å; T156-L160 HydrophobicContact CG2-CD1 3.86Å; T156-L160 HydrophobicContact CG2-CG 4.33Å; T156-L160 WeakPolarHBondContact O-CB 3.09Å; T156-L160 WeakPolarHBondContact O-CG 3.27Å; T156-L160 PolarHBondContact O-N 3.19Å
157E76.5Confident72.6Confident53 Ų5370.7 Ų70.725%0.24838%0.375CS..Hα-helixtrans-61.4-38.1178.3-74.9-174.3-177.300112.8R153 S161 R171 M176R153-E157 WeakPolarHBondContact O-CG 3.35Å; R153-E157 PolarHBondContact O-N 3.26Å; E157-S161 VanDerWaalsContact O-CB 3.3Å; E157-S161 WeakPolarHBondContact O-CB 3.46Å; E157-S161 PolarHBondContact O-N 3.31Å; E157-S161 PolarHBondContact O-OG 3.08Å; E157-R171 IonicContact OE1-CZ 3.31Å; E157-R171 VanDerWaalsContact OE1-CZ 3.3Å; E157-R171 IonicContact OE1-NE 3.98Å; E157-R171 IonicContact OE1-NH1 2.74Å; E157-R171 IonicContact OE1-NH2 2.93Å; E157-R171 PolarHBondContact OE1-NH2 3.42Å; E157-R171 IonicContact OE2-CZ 3.98Å; E157-R171 IonicContact OE2-NE 2.73Å; E157-R171 PolarHBondContact OE2-NE 3.44Å; E157-R171 IonicContact OE2-NH2 3.39Å; E157-R171 PolarHBondContact OE2-NH2 3.1Å; E157-M176 VanDerWaalsContact CD-CE 3.46Å; E157-M176 VanDerWaalsContact OE1-CE 3.22Å; E157-M176 WeakPolarHBondContact OE1-CE 3.11Å; E157-M176 WeakPolarHBondContact OE2-CE 3.3Å
158R71.8Confident71Confident112 Ų11274.1 Ų74.142%0.42339%0.389SS..Hα-helixtrans-64.5-43.4177.8-179.4173.5178168.1-0.6112.2L154 Q155 T156 G162L154-R158 WeakPolarHBondContact O-CB 3.22Å; L154-R158 PolarHBondContact O-N 2.85Å; L154-R158 VanDerWaalsContact O-N 3.08Å; Q155-R158 PolarHBondContact O-N 3.45Å; T156-R158 VanDerWaalsContact C-N 3.3Å; T156-R158 PolarHBondContact O-N 3.35Å; R158-G162 PolarHBondContact O-N 2.83Å; R158-G162 VanDerWaalsContact O-N 3.07Å
159E68.5Low70Confident54 Ų5480.9 Ų80.925%0.25242%0.42SS..Hα-helixtrans-70.1-42.8179-66.5-68.6160.900111F59 Q155 T156 S161 G162 I163F59-E159 HydrophobicContact CE2-CB 4.33Å; F59-E159 HydrophobicContact CE2-CG 3.85Å; F59-E159 HydrophobicContact CZ-CB 3.85Å; F59-E159 HydrophobicContact CZ-CG 3.88Å; Q155-E159 WeakPolarHBondContact O-CG 3.33Å; Q155-E159 PolarHBondContact O-N 2.84Å; Q155-E159 VanDerWaalsContact O-N 3.13Å; T156-E159 PolarHBondContact O-N 3.42Å; E159-S161 VanDerWaalsContact C-N 3.33Å; E159-S161 PolarHBondContact O-N 3Å; E159-G162 PolarHBondContact O-N 3.14Å; E159-G162 VanDerWaalsContact O-N 3.15Å; E159-I163 WeakPolarHBondContact O-CG1 3.25Å; E159-I163 PolarHBondContact O-N 3.1Å
160L69.5Low69Low107 Ų10786.3 Ų86.356%0.5645%0.445SS*.Hα-helixtrans-60.2-41.4174.6-71.5173.7000112.3T156 G162 I163 A164T156-L160 HydrophobicContact CG2-CD1 3.86Å; T156-L160 HydrophobicContact CG2-CG 4.33Å; T156-L160 WeakPolarHBondContact O-CB 3.09Å; T156-L160 WeakPolarHBondContact O-CG 3.27Å; T156-L160 PolarHBondContact O-N 3.19Å; L160-G162 VanDerWaalsContact C-N 3.32Å; L160-G162 PolarHBondContact O-N 3.37Å; L160-I163 PolarHBondContact O-N 3.43Å; L160-A164 WeakPolarHBondContact O-CB 3.3Å; L160-A164 PolarHBondContact O-N 3.29Å
161S70Confident68.5Low22 Ų2290 Ų9015%0.15446%0.457CS..Hα-helixtrans-64.4-37.8175.8-57.70000112.1E157 E159 I163 A164E157-S161 VanDerWaalsContact O-CB 3.3Å; E157-S161 WeakPolarHBondContact O-CB 3.46Å; E157-S161 PolarHBondContact O-N 3.31Å; E157-S161 PolarHBondContact O-OG 3.08Å; E159-S161 VanDerWaalsContact C-N 3.33Å; E159-S161 PolarHBondContact O-N 3Å; S161-I163 VanDerWaalsContact C-N 3.33Å; S161-A164 PolarHBondContact O-N 3.25Å
162G66.8Low68.5Low54 Ų5488.2 Ų88.256%0.55746%0.457SS*.Hα-helixtrans-65.2-33.6174.800000113.4R158 E159 L160R158-G162 PolarHBondContact O-N 2.83Å; R158-G162 VanDerWaalsContact O-N 3.07Å; E159-G162 PolarHBondContact O-N 3.14Å; E159-G162 VanDerWaalsContact O-N 3.15Å; L160-G162 VanDerWaalsContact C-N 3.32Å; L160-G162 PolarHBondContact O-N 3.37Å
163I63.6Low68.9Low123 Ų12389.9 Ų89.963%0.63147%0.467SS*.Hα-helixtrans-74.8-41176.3-66.5166.4000111.3E159 L160 S161 N165E159-I163 WeakPolarHBondContact O-CG1 3.25Å; E159-I163 PolarHBondContact O-N 3.1Å; L160-I163 PolarHBondContact O-N 3.43Å; S161-I163 VanDerWaalsContact C-N 3.33Å; I163-N165 PolarHBondContact O-N 3.39Å
164A66.7Low69.2Low75 Ų7594.8 Ų94.862%0.6249%0.49SS*.THydrogen-bonded Turntrans-75.30.6-174.200000114.6L160 S161 G166L160-A164 WeakPolarHBondContact O-CB 3.3Å; L160-A164 PolarHBondContact O-N 3.29Å; S161-A164 PolarHBondContact O-N 3.25Å; A164-G166 PolarHBondContact O-N 3.14Å
165N63.1Low69.7Low157 Ų15797.5 Ų97.584%0.8451%0.505SS*.THydrogen-bonded Turntrans4916.5-168.2-73.9-29.7000113.8I163I163-N165 PolarHBondContact O-N 3.39Å
166G56.6Low70.4Confident36 Ų3694.6 Ų94.637%0.37149%0.491SS..  trans-85.6130-17700000109.8A164 M168A164-G166 PolarHBondContact O-N 3.14Å; G166-M168 PolarHBondContact O-N 2.91Å
167R52.1Low71.3Confident257 Ų25793.5 Ų93.597%0.9749%0.485SS*.  trans-69.863.7162-68.1178.6178.6164.3-0.7109.4E169R167-E169 PolarHBondContact O-N 2.97Å
168M54.8Low72.2Confident117 Ų11795 Ų9558%0.57649%0.49SS*.  trans-69.2128.9162.7-82.6-148.581.100107.9G166 Q170G166-M168 PolarHBondContact O-N 2.91Å; M168-Q170 PolarHBondContact O-N 3.16Å
169E59.4Low73.1Confident179 Ų17991.4 Ų91.484%0.83648%0.479SS*.  trans-56.3132170.8-75.5-159.814700109.7R167 R171R167-E169 PolarHBondContact O-N 2.97Å; E169-R171 PolarHBondContact O-N 3.45Å
170Q62.9Low74.1Confident137 Ų13788.8 Ų88.864%0.6447%0.467SS*.  trans-65.6108.2177.3-65.1-105.6-37.700108.5M168M168-Q170 PolarHBondContact O-N 3.16Å
171R73.6Confident75.4Confident90 Ų9087 Ų8734%0.3446%0.457SS..  trans-68.5135.1173.9-74.9-168.2-84.8-171-14.7110.4L154 E157 E169 D179L154-R171 HydrophobicContact CD2-CB 4.32Å; L154-R171 VanDerWaalsContact CD2-O 3.22Å; L154-R171 WeakPolarHBondContact CD2-O 3.18Å; E157-R171 IonicContact OE1-CZ 3.31Å; E157-R171 VanDerWaalsContact OE1-CZ 3.3Å; E157-R171 IonicContact OE1-NE 3.98Å; E157-R171 IonicContact OE1-NH1 2.74Å; E157-R171 IonicContact OE1-NH2 2.93Å; E157-R171 PolarHBondContact OE1-NH2 3.42Å; E157-R171 IonicContact OE2-CZ 3.98Å; E157-R171 IonicContact OE2-NE 2.73Å; E157-R171 PolarHBondContact OE2-NE 3.44Å; E157-R171 IonicContact OE2-NH2 3.39Å; E157-R171 PolarHBondContact OE2-NH2 3.1Å; E169-R171 PolarHBondContact O-N 3.45Å; R171-D179 IonicContact NH1-OD2 3.63Å; R171-D179 PolarHBondContact NH1-OD2 2.85Å; R171-D179 VanDerWaalsContact NH1-OD2 3.1Å
172G81.2Confident76.6Confident25 Ų2594.5 Ų94.526%0.25848%0.482SS..  trans-77.8161.2171.100000112.1F174 L175 M176G172-F174 VanDerWaalsContact C-N 3.25Å; G172-F174 PolarHBondContact O-N 3.44Å; G172-L175 PolarHBondContact O-N 3.34Å; G172-M176 PolarHBondContact O-N 2.93Å; G172-M176 VanDerWaalsContact O-N 3.14Å
173P84.4Confident77.9Confident67 Ų6798.8 Ų98.844%0.43549%0.488SS..Hα-helixtrans-57.8-36178.323.1-33.1000113.3V150 L154 M176 T177V150-P173 HydrophobicContact CG1-CB 4.04Å; L154-P173 HydrophobicContact CD1-CB 3.93Å; P173-M176 PolarHBondContact O-N 2.93Å; P173-T177 PolarHBondContact O-N 3.48Å; P173-T177 PolarHBondContact O-OG1 3.48Å
174F88.4Confident79.2Confident161 Ų16196.1 Ų96.171%0.70647%0.473SS*.Hα-helixtrans-64.3-43.2178-178.3-97.1000113.1G172 T177 K178G172-F174 VanDerWaalsContact C-N 3.25Å; G172-F174 PolarHBondContact O-N 3.44Å; F174-T177 PolarHBondContact O-N 2.83Å; F174-K178 HydrophobicContact CE1-CD 4.49Å; F174-K178 WeakPolarHBondContact O-CB 3.47Å; F174-K178 PolarHBondContact O-N 3.02Å
175L89.7Confident80.4Confident91 Ų9193.9 Ų93.948%0.47646%0.457SS..Hα-helixtrans-63.4-44.6176.7-79139000110.6G172 T177 K178 D179G172-L175 PolarHBondContact O-N 3.34Å; L175-T177 PolarHBondContact O-N 3.47Å; L175-K178 PolarHBondContact O-N 3.37Å; L175-D179 PolarHBondContact O-N 3.31Å
176M87.2Confident81.8Confident4 Ų492.2 Ų92.22%0.0245%0.448CS..Hα-helixtrans-58.7-48.7175.5-177.653.762.200111.9V150 R153 L154 E157 G172 P173 K178 D179 I180V150-M176 HydrophobicContact CG1-CB 4.19Å; V150-M176 HydrophobicContact CG1-CG 4.05Å; R153-M176 HydrophobicContact CB-CE 4.15Å; R153-M176 HydrophobicContact CB-CG 4.21Å; R153-M176 HydrophobicContact CB-SD 3.77Å; R153-M176 HydrophobicContact CG-SD 4.45Å; L154-M176 HydrophobicContact CD2-CB 3.94Å; L154-M176 HydrophobicContact CD2-CE 4.19Å; L154-M176 HydrophobicContact CD2-CG 4.33Å; L154-M176 HydrophobicContact CG-CB 4.26Å; L154-M176 HydrophobicContact CG-CG 4.3Å; E157-M176 VanDerWaalsContact CD-CE 3.46Å; E157-M176 VanDerWaalsContact OE1-CE 3.22Å; E157-M176 WeakPolarHBondContact OE1-CE 3.11Å; E157-M176 WeakPolarHBondContact OE2-CE 3.3Å; G172-M176 PolarHBondContact O-N 2.93Å; G172-M176 VanDerWaalsContact O-N 3.14Å; P173-M176 PolarHBondContact O-N 2.93Å; M176-K178 VanDerWaalsContact C-N 3.32Å; M176-K178 PolarHBondContact O-N 2.98Å; M176-D179 PolarHBondContact O-N 3.26Å; M176-I180 HydrophobicContact CG-CD1 4.07Å; M176-I180 VanDerWaalsContact O-CG1 3.27Å; M176-I180 WeakPolarHBondContact O-CG1 3.07Å; M176-I180 PolarHBondContact O-N 3.03Å; M176-I180 HydrophobicContact SD-CD1 4.21Å; M176-I180 HydrophobicContact SD-CG1 4.3Å
177T90.7Very high83.4Confident43 Ų43101.4 Ų101.426%0.26447%0.471SS..Hα-helixtrans-58.9-44.1176.6-58.60000111.6V150 P173 F174 L175 D179 I180 I181 L189V150-T177 WeakPolarHBondContact CG2-OG1 3.14Å; P173-T177 PolarHBondContact O-N 3.48Å; P173-T177 PolarHBondContact O-OG1 3.48Å; F174-T177 PolarHBondContact O-N 2.83Å; L175-T177 PolarHBondContact O-N 3.47Å; T177-D179 PolarHBondContact O-N 2.93Å; T177-I180 PolarHBondContact O-N 3.11Å; T177-I181 HydrophobicContact CG2-CD1 3.93Å; T177-I181 VanDerWaalsContact O-CG1 3.31Å; T177-I181 WeakPolarHBondContact O-CG1 3.36Å; T177-I181 PolarHBondContact O-N 3.45Å; T177-L189 HydrophobicContact CG2-CD2 4.22Å
178K94.5Very high85.1Confident84 Ų8489.3 Ų89.337%0.36543%0.427SS..Hα-helixtrans-62.3-42178.5-178.1178176.2179.50112F174 L175 M176 I181 R182F174-K178 HydrophobicContact CE1-CD 4.49Å; F174-K178 WeakPolarHBondContact O-CB 3.47Å; F174-K178 PolarHBondContact O-N 3.02Å; L175-K178 PolarHBondContact O-N 3.37Å; M176-K178 VanDerWaalsContact C-N 3.32Å; M176-K178 PolarHBondContact O-N 2.98Å; K178-I181 PolarHBondContact O-N 2.79Å; K178-R182 VanDerWaalsContact CE-NH2 3.33Å; K178-R182 WeakPolarHBondContact O-CB 3.18Å; K178-R182 VanDerWaalsContact O-CG 3.28Å; K178-R182 WeakPolarHBondContact O-CG 3.27Å; K178-R182 PolarHBondContact O-N 2.94Å
179D91.9Very high86.7Confident36 Ų3684.7 Ų84.719%0.19340%0.404CS..Hα-helixtrans-65.7-43.5178.1-71.8-14.3000111.3R171 L175 M176 T177 I181 R182 Q183R171-D179 IonicContact NH1-OD2 3.63Å; R171-D179 PolarHBondContact NH1-OD2 2.85Å; R171-D179 VanDerWaalsContact NH1-OD2 3.1Å; L175-D179 PolarHBondContact O-N 3.31Å; M176-D179 PolarHBondContact O-N 3.26Å; T177-D179 PolarHBondContact O-N 2.93Å; D179-I181 PolarHBondContact O-N 3.17Å; D179-R182 PolarHBondContact O-N 3.35Å; D179-Q183 WeakPolarHBondContact O-CB 3.23Å; D179-Q183 VanDerWaalsContact O-CG 3.3Å; D179-Q183 WeakPolarHBondContact O-CG 3.45Å; D179-Q183 PolarHBondContact O-N 3.17Å
180I90.1Very high88.2Confident0 Ų080.5 Ų80.50%038%0.384CS..Hα-helixtrans-58.9-49.4175.6-64.3163.8000110.4L149 V150 M176 T177 R182 Q183 E184 G185 L189L149-I180 HydrophobicContact CD2-CD1 4.3Å; V150-I180 HydrophobicContact CG2-CD1 3.98Å; M176-I180 HydrophobicContact CG-CD1 4.07Å; M176-I180 VanDerWaalsContact O-CG1 3.27Å; M176-I180 WeakPolarHBondContact O-CG1 3.07Å; M176-I180 PolarHBondContact O-N 3.03Å; M176-I180 HydrophobicContact SD-CD1 4.21Å; M176-I180 HydrophobicContact SD-CG1 4.3Å; T177-I180 PolarHBondContact O-N 3.11Å; I180-R182 VanDerWaalsContact C-N 3.28Å; I180-R182 PolarHBondContact O-N 3.19Å; I180-Q183 PolarHBondContact O-N 3.05Å; I180-E184 PolarHBondContact O-N 2.96Å; I180-G185 PolarHBondContact O-N 3.14Å; I180-L189 HydrophobicContact CB-CD2 4.21Å; I180-L189 HydrophobicContact CD1-CD2 4.18Å; I180-L189 HydrophobicContact CG2-CD2 3.83Å; I180-L189 HydrophobicContact CG2-CG 4.18Å
181I95.1Very high89.2Confident68 Ų6881.9 Ų81.935%0.34938%0.383SS..Hα-helixtrans-62.9-37.7-179.6-66.5170000111T177 K178 D179 G185 L186 L189T177-I181 HydrophobicContact CG2-CD1 3.93Å; T177-I181 VanDerWaalsContact O-CG1 3.31Å; T177-I181 WeakPolarHBondContact O-CG1 3.36Å; T177-I181 PolarHBondContact O-N 3.45Å; K178-I181 PolarHBondContact O-N 2.79Å; D179-I181 PolarHBondContact O-N 3.17Å; I181-G185 WeakPolarHBondContact O-CA 3.44Å; I181-G185 PolarHBondContact O-N 3.43Å; I181-L186 HydrophobicContact CD1-CD2 4.22Å; I181-L186 HydrophobicContact CG1-CD2 4.26Å; I181-L186 HydrophobicContact CG2-CD2 4.44Å; I181-L189 HydrophobicContact CD1-CD1 4.04Å; I181-L189 HydrophobicContact CG1-CD1 3.89Å; I181-L189 HydrophobicContact CG1-CG 4.26Å
182R96.1Very high89.6Confident180 Ų18079.5 Ų79.568%0.67939%0.387SS*.Hα-helixtrans-69.2-38.2178.3-78.7175.7165.8-166.9-10.3113.2K178 D179 I180K178-R182 VanDerWaalsContact CE-NH2 3.33Å; K178-R182 WeakPolarHBondContact O-CB 3.18Å; K178-R182 VanDerWaalsContact O-CG 3.28Å; K178-R182 WeakPolarHBondContact O-CG 3.27Å; K178-R182 PolarHBondContact O-N 2.94Å; D179-R182 PolarHBondContact O-N 3.35Å; I180-R182 VanDerWaalsContact C-N 3.28Å; I180-R182 PolarHBondContact O-N 3.19Å
183Q93.8Very high89.8Confident145 Ų14581.1 Ų81.168%0.67839%0.387SS*.Hα-helixtrans-89.1-40.7-174.2-66.8175.311.400113D179 I180D179-Q183 WeakPolarHBondContact O-CB 3.23Å; D179-Q183 VanDerWaalsContact O-CG 3.3Å; D179-Q183 WeakPolarHBondContact O-CG 3.45Å; D179-Q183 PolarHBondContact O-N 3.17Å; I180-Q183 PolarHBondContact O-N 3.05Å
184E90.1Very high89.7Confident66 Ų6681.3 Ų81.331%0.30839%0.394SS..Hα-helixtrans-117.4-2.7-171.4-63.2176.1-132.100112.6R153 I180 G188 R191R153-E184 IonicContact CZ-OE1 3.22Å; R153-E184 VanDerWaalsContact CZ-OE1 3.31Å; R153-E184 IonicContact NH1-OE1 2.76Å; R153-E184 PolarHBondContact NH1-OE1 2.88Å; R153-E184 IonicContact NH2-OE1 3.86Å; R153-E184 PolarHBondContact NH2-OE1 3.41Å; R153-E184 IonicContact NH2-OE2 2.63Å; R153-E184 PolarHBondContact NH2-OE2 3.08Å; I180-E184 PolarHBondContact O-N 2.96Å; E184-G188 PolarHBondContact O-N 3.28Å; E184-R191 IonicContact OE2-NH1 3.94Å
185G92.4Very high89.3Confident29 Ų2976.1 Ų76.130%0.29938%0.381SS..Hα-helixtrans70-173.3-172.900000113.1I180 I181 R187 G188I180-G185 PolarHBondContact O-N 3.14Å; I181-G185 WeakPolarHBondContact O-CA 3.44Å; I181-G185 PolarHBondContact O-N 3.43Å; G185-R187 PolarHBondContact O-N 2.8Å; G185-G188 PolarHBondContact O-N 2.95Å; G185-G188 VanDerWaalsContact O-N 3.1Å
186L92.4Very high89Confident122 Ų12272 Ų7264%0.63936%0.359SS*.Hα-helixtrans-61.8-29176.5-68.7174000112.7I181 G188 L189I181-L186 HydrophobicContact CD1-CD2 4.22Å; I181-L186 HydrophobicContact CG1-CD2 4.26Å; I181-L186 HydrophobicContact CG2-CD2 4.44Å; L186-G188 PolarHBondContact O-N 2.85Å; L186-L189 WeakPolarHBondContact O-CB 3.33Å; L186-L189 PolarHBondContact O-N 3.36Å
187R90.7Very high89Confident228 Ų22872.6 Ų72.686%0.8637%0.365SS*.Hα-helixtrans-64.6-29.2176.2-68.8-178177.4172-0.7112.3G185 L189 F190G185-R187 PolarHBondContact O-N 2.8Å; R187-L189 PolarHBondContact O-N 3.03Å; R187-F190 PolarHBondContact O-N 3.48Å; R187-F190 VanDerWaalsContact O-N 3.08Å
188G88.1Confident88.7Confident4 Ų475.2 Ų75.24%0.04138%0.38CS..Hα-helixtrans-58.5-33.7175.600000113.4L149 E184 G185 L186 F190 R191L149-G188 WeakPolarHBondContact CD2-O 3.46Å; E184-G188 PolarHBondContact O-N 3.28Å; G185-G188 PolarHBondContact O-N 2.95Å; G185-G188 VanDerWaalsContact O-N 3.1Å; L186-G188 PolarHBondContact O-N 2.85Å; G188-F190 PolarHBondContact O-N 2.94Å; G188-R191 VanDerWaalsContact O-CB 3.25Å; G188-R191 WeakPolarHBondContact O-CB 3.34Å; G188-R191 PolarHBondContact O-N 3.24Å
189L88.7Confident88.2Confident20 Ų2072.2 Ų72.211%0.10537%0.367CS..THydrogen-bonded Turntrans-67.2-23.5177.8-68.1175.7000113.6P146 V150 T177 I180 I181 L186 R187P146-L189 WeakPolarHBondContact CA-O 3.39Å; P146-L189 HydrophobicContact CB-CB 4.12Å; V150-L189 HydrophobicContact CG2-CD2 4.45Å; T177-L189 HydrophobicContact CG2-CD2 4.22Å; I180-L189 HydrophobicContact CB-CD2 4.21Å; I180-L189 HydrophobicContact CD1-CD2 4.18Å; I180-L189 HydrophobicContact CG2-CD2 3.83Å; I180-L189 HydrophobicContact CG2-CG 4.18Å; I181-L189 HydrophobicContact CD1-CD1 4.04Å; I181-L189 HydrophobicContact CG1-CD1 3.89Å; I181-L189 HydrophobicContact CG1-CG 4.26Å; L186-L189 WeakPolarHBondContact O-CB 3.33Å; L186-L189 PolarHBondContact O-N 3.36Å; R187-L189 PolarHBondContact O-N 3.03Å
190F90.7Very high87.9Confident91 Ų9170.6 Ų70.640%0.39936%0.358SS..THydrogen-bonded Turntrans-97.111.8178.6-68.6-87.8000112.6C142 R187 G188 G192 F193C142-F190 HydrophobicContact CB-CE1 4.46Å; C142-F190 WeakPolarHBondContact O-CE1 3.5Å; R187-F190 PolarHBondContact O-N 3.48Å; R187-F190 VanDerWaalsContact O-N 3.08Å; G188-F190 PolarHBondContact O-N 2.94Å; F190-G192 PolarHBondContact O-N 2.97Å; F190-G192 VanDerWaalsContact O-N 3.14Å; F190-F193 HydrophobicContact CB-CB 4.41Å; F190-F193 HydrophobicContact CD1-CD2 4.08Å; F190-F193 VanDerWaalsContact O-CB 3.27Å; F190-F193 WeakPolarHBondContact O-CB 3.49Å; F190-F193 PolarHBondContact O-N 2.88Å
191R84.4Confident87.9Confident165 Ų16572.9 Ų72.962%0.62337%0.372SS*.THydrogen-bonded Turntrans-65.3116.2173.8-171.1172.7-178.9-177.4-1.8109.6L149 E184 G188L149-R191 HydrophobicContact CD2-CB 4.48Å; E184-R191 IonicContact OE2-NH1 3.94Å; G188-R191 VanDerWaalsContact O-CB 3.25Å; G188-R191 WeakPolarHBondContact O-CB 3.34Å; G188-R191 PolarHBondContact O-N 3.24Å
192G81Confident87.6Confident41 Ų4172.3 Ų72.342%0.42337%0.372SS..THydrogen-bonded Turntrans99.72.7-174.500000114.3F190 A194 A195 T196F190-G192 PolarHBondContact O-N 2.97Å; F190-G192 VanDerWaalsContact O-N 3.14Å; G192-A194 VanDerWaalsContact C-N 3.31Å; G192-A194 PolarHBondContact O-N 3.28Å; G192-A195 WeakPolarHBondContact O-CB 3.09Å; G192-A195 PolarHBondContact O-N 3.4Å; G192-T196 PolarHBondContact O-N 3.45Å; G192-T196 PolarHBondContact O-OG1 2.98Å
193F85.4Confident87.3Confident59 Ų5963.7 Ų63.726%0.25934%0.34SS..Hα-helixtrans-53-45.2-179.9179.9-96.2000113.1V138 A141 C145 F190 A195 T196 A197V138-F193 HydrophobicContact CG1-CZ 4.44Å; A141-F193 HydrophobicContact CB-CD2 4.46Å; A141-F193 HydrophobicContact CB-CE2 3.8Å; A141-F193 HydrophobicContact CB-CZ 4.27Å; C145-F193 HydrophobicContact CB-CD2 4.05Å; F190-F193 HydrophobicContact CB-CB 4.41Å; F190-F193 HydrophobicContact CD1-CD2 4.08Å; F190-F193 VanDerWaalsContact O-CB 3.27Å; F190-F193 WeakPolarHBondContact O-CB 3.49Å; F190-F193 PolarHBondContact O-N 2.88Å; F193-A195 VanDerWaalsContact C-N 3.31Å; F193-A195 PolarHBondContact O-N 3.23Å; F193-T196 CarbonylContact O-C 3.54Å; F193-T196 PolarHBondContact O-N 2.86Å; F193-T196 VanDerWaalsContact O-N 3.13Å; F193-A197 HydrophobicContact CE1-CB 4.33Å; F193-A197 WeakPolarHBondContact O-CB 3.49Å; F193-A197 PolarHBondContact O-N 3.29Å
194A83.6Confident87Confident71 Ų7157.6 Ų57.659%0.58731%0.311SS*.Hα-helixtrans-60.2-40.4177.500000112.4G192 T196 A197 V198G192-A194 VanDerWaalsContact C-N 3.31Å; G192-A194 PolarHBondContact O-N 3.28Å; A194-T196 VanDerWaalsContact C-N 3.34Å; A194-A197 PolarHBondContact O-N 2.81Å; A194-V198 WeakPolarHBondContact O-CB 3.41Å; A194-V198 VanDerWaalsContact O-CG2 3.23Å; A194-V198 WeakPolarHBondContact O-CG2 3.32Å; A194-V198 PolarHBondContact O-N 3.33Å
195A78.8Confident87.1Confident52 Ų5258 Ų5843%0.4331%0.312SS..Hα-helixtrans-67.2-36.7176.300000111.7G192 F193 R199G192-A195 WeakPolarHBondContact O-CB 3.09Å; G192-A195 PolarHBondContact O-N 3.4Å; F193-A195 VanDerWaalsContact C-N 3.31Å; F193-A195 PolarHBondContact O-N 3.23Å; A195-R199 PolarHBondContact O-N 2.89Å
196T83.9Confident87Confident4 Ų461.3 Ų61.33%0.02532%0.318CS..Hα-helixtrans-66.4-48172.9-60.20000110.9A141 L144 G192 F193 A194 V198 R199 E200A141-T196 HydrophobicContact CB-CG2 4.03Å; L144-T196 HydrophobicContact CB-CG2 4.39Å; L144-T196 HydrophobicContact CD2-CG2 4.24Å; L144-T196 HydrophobicContact CG-CG2 4.38Å; G192-T196 PolarHBondContact O-N 3.45Å; G192-T196 PolarHBondContact O-OG1 2.98Å; F193-T196 CarbonylContact O-C 3.54Å; F193-T196 PolarHBondContact O-N 2.86Å; F193-T196 VanDerWaalsContact O-N 3.13Å; A194-T196 VanDerWaalsContact C-N 3.34Å; T196-V198 PolarHBondContact O-N 3.41Å; T196-R199 WeakPolarHBondContact O-CB 3.21Å; T196-R199 PolarHBondContact O-N 2.84Å; T196-R199 VanDerWaalsContact O-N 3.09Å; T196-E200 HydrophobicContact CG2-CG 4.1Å; T196-E200 WeakPolarHBondContact O-CG 3.17Å; T196-E200 PolarHBondContact O-N 2.85Å
197A87.4Confident86.8Confident16 Ų1658.1 Ų58.113%0.13230%0.299CS..Hα-helixtrans-62.3-42.7178.800000112.7F193 A194 R199 E200 V201F193-A197 HydrophobicContact CE1-CB 4.33Å; F193-A197 WeakPolarHBondContact O-CB 3.49Å; F193-A197 PolarHBondContact O-N 3.29Å; A194-A197 PolarHBondContact O-N 2.81Å; A197-R199 PolarHBondContact O-N 3.38Å; A197-E200 PolarHBondContact O-N 2.92Å; A197-V201 WeakPolarHBondContact O-CB 3.42Å; A197-V201 VanDerWaalsContact O-CG2 3.27Å; A197-V201 WeakPolarHBondContact O-CG2 3.43Å; A197-V201 PolarHBondContact O-N 2.99Å
198V83.4Confident86.5Confident98 Ų9847.9 Ų47.959%0.59426%0.261SS*.Hα-helixtrans-63.6-25.9175.8168.30000112.2A194 T196 P202A194-V198 WeakPolarHBondContact O-CB 3.41Å; A194-V198 VanDerWaalsContact O-CG2 3.23Å; A194-V198 WeakPolarHBondContact O-CG2 3.32Å; A194-V198 PolarHBondContact O-N 3.33Å; T196-V198 PolarHBondContact O-N 3.41Å; V198-P202 WeakPolarHBondContact O-CD 3.45Å; V198-P202 WeakPolarHBondContact O-CG 3.09Å
199R83.7Confident86.5Confident21 Ų2148.9 Ų48.98%0.07927%0.271CS..Hα-helixtrans-78-50.3170.8-176.3-169.868.2-173.31.1111.2E148 A195 T196 A197 G203 I248 D252E148-R199 VanDerWaalsContact CD-NH2 3.29Å; E148-R199 IonicContact OE1-CZ 3.27Å; E148-R199 IonicContact OE1-NH1 2.85Å; E148-R199 PolarHBondContact OE1-NH1 2.98Å; E148-R199 IonicContact OE1-NH2 3.48Å; E148-R199 PolarHBondContact OE1-NH2 3.46Å; E148-R199 IonicContact OE2-CZ 3.11Å; E148-R199 IonicContact OE2-NH1 2.88Å; E148-R199 IonicContact OE2-NH2 3.14Å; E148-R199 PolarHBondContact OE2-NH2 3.34Å; A195-R199 PolarHBondContact O-N 2.89Å; T196-R199 WeakPolarHBondContact O-CB 3.21Å; T196-R199 PolarHBondContact O-N 2.84Å; T196-R199 VanDerWaalsContact O-N 3.09Å; A197-R199 PolarHBondContact O-N 3.38Å; R199-G203 PolarHBondContact O-N 3.49Å; R199-G203 VanDerWaalsContact O-N 3.16Å; R199-I248 HydrophobicContact CG-CB 4.06Å; R199-I248 HydrophobicContact CG-CD1 3.63Å; R199-I248 HydrophobicContact CG-CG1 4.48Å; R199-I248 HydrophobicContact CG-CG2 4.29Å; R199-I248 VanDerWaalsContact O-CG2 3.29Å; R199-I248 WeakPolarHBondContact O-CG2 3.28Å; R199-D252 WeakPolarHBondContact CD-OD1 3.36Å; R199-D252 IonicContact NE-OD1 3.94Å; R199-D252 IonicContact NH1-OD1 2.77Å
200E86.8Confident86.4Confident2 Ų249.4 Ų49.41%0.00928%0.278CS..Hα-helixtrans-67.8-43.6-172.8-67.9-41.5131.400113S137 A141 L144 T196 A197 G203 Y204S137-E200 VanDerWaalsContact OG-C 3.29Å; S137-E200 PolarHBondContact OG-O 3.31Å; A141-E200 HydrophobicContact CB-CG 4.33Å; L144-E200 HydrophobicContact CD2-CG 4.18Å; L144-E200 VanDerWaalsContact CD2-OE1 3.3Å; L144-E200 WeakPolarHBondContact CD2-OE1 3.28Å; T196-E200 HydrophobicContact CG2-CG 4.1Å; T196-E200 WeakPolarHBondContact O-CG 3.17Å; T196-E200 PolarHBondContact O-N 2.85Å; A197-E200 PolarHBondContact O-N 2.92Å; E200-G203 PolarHBondContact O-N 3.25Å; E200-Y204 HydrophobicContact CB-CD2 4.3Å; E200-Y204 WeakPolarHBondContact O-CB 3.31Å; E200-Y204 VanDerWaalsContact O-CD2 3.32Å; E200-Y204 WeakPolarHBondContact O-CD2 3.31Å; E200-Y204 PolarHBondContact O-N 3.14Å; E200-Y204 WeakPolarHBondContact OE2-CE2 3.33Å
201V90.4Very high86.2Confident49 Ų4947.5 Ų47.530%0.29727%0.269SS..Hα-helixtrans-62-53.5-173.71730000111.7S134 S137 V138 A197 F205S134-V201 PolarHBondContact OG-O 3.45Å; S137-V201 VanDerWaalsContact OG-CA 3.3Å; S137-V201 WeakPolarHBondContact OG-CA 3.4Å; S137-V201 WeakPolarHBondContact OG-CG2 3.06Å; S137-V201 PolarHBondContact OG-N 2.9Å; V138-V201 HydrophobicContact CG2-CG2 3.76Å; A197-V201 WeakPolarHBondContact O-CB 3.42Å; A197-V201 VanDerWaalsContact O-CG2 3.27Å; A197-V201 WeakPolarHBondContact O-CG2 3.43Å; A197-V201 PolarHBondContact O-N 2.99Å; V201-F205 PolarHBondContact O-N 2.7Å; V201-F205 VanDerWaalsContact O-N 3.13Å
202P88.5Confident86.1Confident55 Ų5540.5 Ų40.536%0.35724%0.243SC..Hα-helixtrans-67.1-38.5175-18.733.9000112.1V198 Y204 F205 F206V198-P202 WeakPolarHBondContact O-CD 3.45Å; V198-P202 WeakPolarHBondContact O-CG 3.09Å; P202-Y204 PolarHBondContact O-N 2.91Å; P202-F205 VanDerWaalsContact O-CB 3.3Å; P202-F205 WeakPolarHBondContact O-CB 3.23Å; P202-F205 PolarHBondContact O-N 2.86Å; P202-F206 WeakPolarHBondContact O-CD2 3.16Å; P202-F206 PolarHBondContact O-N 2.91Å
203G88.8Confident86.3Confident0 Ų039.6 Ų39.60%023%0.234CC..Hα-helixtrans-56.3-51.717900000111.7R199 E200 F205 F206 F207 F244R199-G203 PolarHBondContact O-N 3.49Å; R199-G203 VanDerWaalsContact O-N 3.16Å; E200-G203 PolarHBondContact O-N 3.25Å; G203-F205 VanDerWaalsContact C-N 3.33Å; G203-F205 PolarHBondContact O-N 3.36Å; G203-F206 PolarHBondContact O-N 3.26Å; G203-F207 WeakPolarHBondContact O-CB 3.28Å; G203-F207 PolarHBondContact O-N 3.33Å; G203-F244 WeakPolarHBondContact O-CD2 3.28Å
204Y88.1Confident86.4Confident16 Ų1637.4 Ų37.46%0.06323%0.226CC..Hα-helixtrans-68.6-29.4179-83.1-75.1000113.1E96 L100 E200 P202 F207 F208 F244E96-Y204 PolarHBondContact OE1-OH 3.45Å; L100-Y204 HydrophobicContact CD1-CD1 4.12Å; L100-Y204 HydrophobicContact CD1-CE1 3.88Å; L100-Y204 HydrophobicContact CD1-CE2 4.26Å; L100-Y204 HydrophobicContact CD1-CG 4.43Å; L100-Y204 HydrophobicContact CD2-CD1 4.05Å; L100-Y204 HydrophobicContact CD2-CE1 3.23Å; L100-Y204 HydrophobicContact CG-CE1 4.18Å; E200-Y204 HydrophobicContact CB-CD2 4.3Å; E200-Y204 WeakPolarHBondContact O-CB 3.31Å; E200-Y204 VanDerWaalsContact O-CD2 3.32Å; E200-Y204 WeakPolarHBondContact O-CD2 3.31Å; E200-Y204 PolarHBondContact O-N 3.14Å; E200-Y204 WeakPolarHBondContact OE2-CE2 3.33Å; P202-Y204 PolarHBondContact O-N 2.91Å; Y204-F207 HydrophobicContact CD1-CB 4.48Å; Y204-F207 HydrophobicContact CD1-CD1 4.48Å; Y204-F207 PolarHBondContact O-N 2.96Å; Y204-F208 AromaticContact CD1-CD2 3.95Å; Y204-F208 HydrophobicContact CD1-CD2 3.95Å; Y204-F208 AromaticContact CD1-CE2 3.59Å; Y204-F208 HydrophobicContact CD1-CE2 3.59Å; Y204-F208 HydrophobicContact CE1-CE2 4.29Å; Y204-F208 HydrophobicContact CG-CE2 4.46Å; Y204-F208 WeakPolarHBondContact O-CB 3.35Å; Y204-F208 WeakPolarHBondContact O-CD2 3.28Å; Y204-F208 PolarHBondContact O-N 2.83Å; Y204-F244 HydrophobicContact CD2-CE2 4.09Å; Y204-F244 HydrophobicContact CE2-CE2 4.23Å; Y204-F244 HydrophobicContact CG-CE2 4.43Å
205F91.2Very high86.3Confident75 Ų7535 Ų3533%0.32920%0.203SC..Hα-helixtrans-55.8-53168-176.4-98.8000111.1A130 S134 V201 P202 G203 G209A130-F205 HydrophobicContact CB-CD2 3.74Å; A130-F205 HydrophobicContact CB-CE2 3.82Å; A130-F205 HydrophobicContact CB-CG 4.38Å; A130-F205 WeakPolarHBondContact CB-O 3.45Å; S134-F205 WeakPolarHBondContact OG-CA 3.35Å; S134-F205 WeakPolarHBondContact OG-CB 3.35Å; S134-F205 PolarHBondContact OG-N 3.13Å; V201-F205 PolarHBondContact O-N 2.7Å; V201-F205 VanDerWaalsContact O-N 3.13Å; P202-F205 VanDerWaalsContact O-CB 3.3Å; P202-F205 WeakPolarHBondContact O-CB 3.23Å; P202-F205 PolarHBondContact O-N 2.86Å; G203-F205 VanDerWaalsContact C-N 3.33Å; G203-F205 PolarHBondContact O-N 3.36Å; F205-G209 WeakPolarHBondContact O-CA 3.13Å; F205-G209 PolarHBondContact O-N 3.48Å
206F90.7Very high86.5Confident99 Ų9939.5 Ų39.543%0.43421%0.21SC..Hα-helixtrans-68.6-35.9179.9-73.9-71.9000112.6P202 G203 A210 A243 S247P202-F206 WeakPolarHBondContact O-CD2 3.16Å; P202-F206 PolarHBondContact O-N 2.91Å; G203-F206 PolarHBondContact O-N 3.26Å; F206-A210 WeakPolarHBondContact O-CB 3.44Å; F206-A210 PolarHBondContact O-N 3.01Å; F206-A243 HydrophobicContact CB-CB 4.5Å; F206-S247 VanDerWaalsContact CD2-OG 3.31Å; F206-S247 WeakPolarHBondContact CD2-OG 3.45Å
207F88.3Confident86.5Confident55 Ų5546 Ų4624%0.24124%0.244CC..Hα-helixtrans-59.9-59.8175.1-176.4-90.8000111.2G203 Y204 G209 A210 Y211 A240 F244G203-F207 WeakPolarHBondContact O-CB 3.28Å; G203-F207 PolarHBondContact O-N 3.33Å; Y204-F207 HydrophobicContact CD1-CB 4.48Å; Y204-F207 HydrophobicContact CD1-CD1 4.48Å; Y204-F207 PolarHBondContact O-N 2.96Å; F207-G209 PolarHBondContact O-N 3.04Å; F207-A210 PolarHBondContact O-N 3.37Å; F207-Y211 VanDerWaalsContact O-CB 3.3Å; F207-Y211 WeakPolarHBondContact O-CB 3.4Å; F207-Y211 PolarHBondContact O-N 2.84Å; F207-A240 HydrophobicContact CD1-CB 4.37Å; F207-A240 VanDerWaalsContact CD2-C 3.48Å; F207-A240 HydrophobicContact CD2-CB 3.68Å; F207-A240 WeakPolarHBondContact CD2-O 3.18Å; F207-A240 HydrophobicContact CE1-CB 4.35Å; F207-A240 HydrophobicContact CE2-CB 3.66Å; F207-A240 HydrophobicContact CG-CB 4.04Å; F207-A240 HydrophobicContact CZ-CB 4.01Å; F207-A240 VanDerWaalsContact O-CB 3.27Å; F207-A240 WeakPolarHBondContact O-CB 3.41Å; F207-F244 HydrophobicContact CB-CB 4.07Å; F207-F244 HydrophobicContact CB-CD2 4.03Å; F207-F244 HydrophobicContact CD2-CB 4.05Å
208F84.5Confident86.3Confident13 Ų1349 Ų496%0.05726%0.257CS..Hα-helixtrans-68.4-36.8-176.8-80.9-76.7000111.5L100 Y104 A130 G133 Y204 Y211 E212L100-F208 HydrophobicContact CD2-CE2 4.5Å; L100-F208 HydrophobicContact CD2-CZ 4.49Å; Y104-F208 HydrophobicContact CD1-CE1 4.4Å; Y104-F208 HydrophobicContact CD2-CE1 4.23Å; Y104-F208 HydrophobicContact CD2-CE2 4.41Å; Y104-F208 AromaticContact CD2-CZ 3.97Å; Y104-F208 HydrophobicContact CD2-CZ 3.97Å; Y104-F208 AromaticContact CE1-CE1 3.93Å; Y104-F208 HydrophobicContact CE1-CE1 3.93Å; Y104-F208 HydrophobicContact CE1-CZ 4.46Å; Y104-F208 HydrophobicContact CE2-CD1 4.05Å; Y104-F208 AromaticContact CE2-CE1 3.75Å; Y104-F208 HydrophobicContact CE2-CE1 3.75Å; Y104-F208 HydrophobicContact CE2-CE2 4.37Å; Y104-F208 HydrophobicContact CE2-CG 4.49Å; Y104-F208 AromaticContact CE2-CZ 3.92Å; Y104-F208 HydrophobicContact CE2-CZ 3.92Å; Y104-F208 HydrophobicContact CG-CZ 4.26Å; Y104-F208 AromaticContact CZ-CD1 3.9Å; Y104-F208 AromaticContact CZ-CE1 3.58Å; A130-F208 HydrophobicContact CB-CB 4.33Å; G133-F208 VanDerWaalsContact CA-CD2 3.47Å; Y204-F208 AromaticContact CD1-CD2 3.95Å; Y204-F208 HydrophobicContact CD1-CD2 3.95Å; Y204-F208 AromaticContact CD1-CE2 3.59Å; Y204-F208 HydrophobicContact CD1-CE2 3.59Å; Y204-F208 HydrophobicContact CE1-CE2 4.29Å; Y204-F208 HydrophobicContact CG-CE2 4.46Å; Y204-F208 WeakPolarHBondContact O-CB 3.35Å; Y204-F208 WeakPolarHBondContact O-CD2 3.28Å; Y204-F208 PolarHBondContact O-N 2.83Å; F208-Y211 PolarHBondContact O-N 2.91Å; F208-E212 VanDerWaalsContact O-CB 3.29Å; F208-E212 WeakPolarHBondContact O-CB 3.26Å; F208-E212 WeakPolarHBondContact O-CG 3.32Å; F208-E212 PolarHBondContact O-N 3.48Å
209G87.5Confident86.1Confident25 Ų2545.6 Ų45.626%0.25824%0.236SC..Hα-helixtrans-61.2-44.1174.500000112.6F205 F207 G213F205-G209 WeakPolarHBondContact O-CA 3.13Å; F205-G209 PolarHBondContact O-N 3.48Å; F207-G209 PolarHBondContact O-N 3.04Å; G209-G213 WeakPolarHBondContact O-CA 3.48Å; G209-G213 PolarHBondContact O-N 3.31Å
210A88.3Confident85.7Confident30 Ų3048.4 Ų48.425%0.24826%0.257CS..Hα-helixtrans-70.6-38.9175.400000112.3F206 F207 A214 A240 A243F206-A210 WeakPolarHBondContact O-CB 3.44Å; F206-A210 PolarHBondContact O-N 3.01Å; F207-A210 PolarHBondContact O-N 3.37Å; A210-A214 WeakPolarHBondContact O-CB 3.47Å; A210-A214 PolarHBondContact O-N 2.88Å; A210-A240 HydrophobicContact CB-CB 4.44Å; A210-A243 HydrophobicContact CB-CB 3.56Å
211Y85.6Confident84.7Confident51 Ų5158 Ų5820%0.230%0.302CS..Hα-helixtrans-62.7-53.2177.3178.6-104.2000111.7F207 F208 A214 K215 T233 C236F207-Y211 VanDerWaalsContact O-CB 3.3Å; F207-Y211 WeakPolarHBondContact O-CB 3.4Å; F207-Y211 PolarHBondContact O-N 2.84Å; F208-Y211 PolarHBondContact O-N 2.91Å; Y211-A214 PolarHBondContact O-N 2.84Å; Y211-K215 HydrophobicContact CE1-CD 3.9Å; Y211-K215 HydrophobicContact CE1-CG 4.44Å; Y211-K215 HydrophobicContact CE2-CD 4.48Å; Y211-K215 WeakPolarHBondContact O-CB 3.41Å; Y211-K215 PolarHBondContact O-N 3.3Å; Y211-K215 VanDerWaalsContact OH-CE 3.31Å; Y211-K215 WeakPolarHBondContact OH-CE 3.37Å; Y211-T233 HydrophobicContact CE2-CG2 4.34Å; Y211-C236 HydrophobicContact CD2-CB 3.88Å; Y211-C236 HydrophobicContact CE2-CB 4.03Å
212E82.8Confident83.7Confident19 Ų1963.8 Ų63.89%0.08933%0.331CS..Hα-helixtrans-69.2-38.2-179.5-68.9-65149.500111.7P126 F208 K215 Y216 K225P126-E212 HydrophobicContact CB-CB 3.8Å; P126-E212 HydrophobicContact CG-CB 4.29Å; F208-E212 VanDerWaalsContact O-CB 3.29Å; F208-E212 WeakPolarHBondContact O-CB 3.26Å; F208-E212 WeakPolarHBondContact O-CG 3.32Å; F208-E212 PolarHBondContact O-N 3.48Å; E212-K215 PolarHBondContact O-N 3.33Å; E212-Y216 VanDerWaalsContact O-CB 3.24Å; E212-Y216 WeakPolarHBondContact O-CB 3.16Å; E212-Y216 PolarHBondContact O-N 2.83Å; E212-K225 IonicContact OE2-NZ 3.1Å; E212-K225 PolarHBondContact OE2-NZ 2.86Å
213G84.9Confident82.5Confident22 Ų2262 Ų6223%0.22732%0.323CS..Hα-helixtrans-63.7-45.1173.900000112.3G209 Y216 L217G209-G213 WeakPolarHBondContact O-CA 3.48Å; G209-G213 PolarHBondContact O-N 3.31Å; G213-Y216 PolarHBondContact O-N 3.36Å; G213-L217 VanDerWaalsContact O-CG 3.32Å; G213-L217 WeakPolarHBondContact O-CG 3.18Å; G213-L217 PolarHBondContact O-N 3.48Å
214A86.5Confident81.5Confident12 Ų1265.7 Ų65.710%0.09935%0.346CS..Hα-helixtrans-65.6-41.8176.100000111.7A210 Y211 L217 L218 C236 L239A210-A214 WeakPolarHBondContact O-CB 3.47Å; A210-A214 PolarHBondContact O-N 2.88Å; Y211-A214 PolarHBondContact O-N 2.84Å; A214-L217 PolarHBondContact O-N 2.91Å; A214-L218 WeakPolarHBondContact O-CB 3.49Å; A214-L218 WeakPolarHBondContact O-CG 3.49Å; A214-L218 PolarHBondContact O-N 3.02Å; A214-L218 VanDerWaalsContact O-N 3.1Å; A214-C236 HydrophobicContact CB-CB 4.03Å; A214-L239 HydrophobicContact CB-CD1 4.25Å
215K82.8Confident80.3Confident21 Ų2168.2 Ų68.29%0.09136%0.357CS..Hα-helixtrans-59-50.6172.4-85.7-157145.9-154.80110.9Y211 E212 L217 L218 T219 K225 I228 C236Y211-K215 HydrophobicContact CE1-CD 3.9Å; Y211-K215 HydrophobicContact CE1-CG 4.44Å; Y211-K215 HydrophobicContact CE2-CD 4.48Å; Y211-K215 WeakPolarHBondContact O-CB 3.41Å; Y211-K215 PolarHBondContact O-N 3.3Å; Y211-K215 VanDerWaalsContact OH-CE 3.31Å; Y211-K215 WeakPolarHBondContact OH-CE 3.37Å; E212-K215 PolarHBondContact O-N 3.33Å; K215-L217 VanDerWaalsContact C-N 3.3Å; K215-L217 PolarHBondContact O-N 3.49Å; K215-L218 CarbonylContact O-C 3.57Å; K215-L218 PolarHBondContact O-N 3.27Å; K215-T219 PolarHBondContact O-N 3.41Å; K215-T219 PolarHBondContact O-OG1 3.48Å; K215-K225 PolarHBondContact NZ-O 3.27Å; K215-I228 HydrophobicContact CB-CD1 3.87Å; K215-I228 HydrophobicContact CD-CD1 4.08Å; K215-I228 HydrophobicContact CG-CD1 3.83Å; K215-C236 HydrophobicContact CG-CB 4.25Å
216Y81.9Confident78.9Confident146 Ų14671.8 Ų71.857%0.57338%0.379SS*.Hα-helixtrans-56.9-41.8-179.6179.6-99.1000112.8E212 G213 L218E212-Y216 VanDerWaalsContact O-CB 3.24Å; E212-Y216 WeakPolarHBondContact O-CB 3.16Å; E212-Y216 PolarHBondContact O-N 2.83Å; G213-Y216 PolarHBondContact O-N 3.36Å; Y216-L218 VanDerWaalsContact C-N 3.32Å; Y216-L218 PolarHBondContact O-N 3.23Å
217L84.5Confident77.6Confident141 Ų14172.5 Ų72.574%0.73838%0.384SS*.Hα-helixtrans-72.4-22.2177.8-69.1172.9000114.1G213 A214 K215G213-L217 VanDerWaalsContact O-CG 3.32Å; G213-L217 WeakPolarHBondContact O-CG 3.18Å; G213-L217 PolarHBondContact O-N 3.48Å; A214-L217 PolarHBondContact O-N 2.91Å; K215-L217 VanDerWaalsContact C-N 3.3Å; K215-L217 PolarHBondContact O-N 3.49Å
218L84Confident76.6Confident80 Ų8070.7 Ų70.742%0.41938%0.377SS..Hα-helixtrans-104.4-10-176.8-64.3172.8000113.1A214 K215 Y216 T232 F235A214-L218 WeakPolarHBondContact O-CB 3.49Å; A214-L218 WeakPolarHBondContact O-CG 3.49Å; A214-L218 PolarHBondContact O-N 3.02Å; A214-L218 VanDerWaalsContact O-N 3.1Å; K215-L218 CarbonylContact O-C 3.57Å; K215-L218 PolarHBondContact O-N 3.27Å; Y216-L218 VanDerWaalsContact C-N 3.32Å; Y216-L218 PolarHBondContact O-N 3.23Å; L218-T232 HydrophobicContact CB-CG2 3.84Å; L218-T232 HydrophobicContact CD1-CG2 3.68Å; L218-T232 HydrophobicContact CG-CG2 4.32Å; L218-F235 HydrophobicContact CD1-CD1 4.24Å
219T78.6Confident76.3Confident25 Ų2574.4 Ų74.415%0.15340%0.397CS..SBendtrans-69.4127.2167.5-54.60000108.7K215 G223 I228K215-T219 PolarHBondContact O-N 3.41Å; K215-T219 PolarHBondContact O-OG1 3.48Å; T219-G223 WeakPolarHBondContact CG2-O 3.3Å; T219-I228 WeakPolarHBondContact OG1-CD1 3.24Å
220P74.4Confident75.6Confident80 Ų8075.7 Ų75.752%0.51941%0.411SS..  trans-57149.6171.1-21.832.8000111.7D222 G223P220-D222 PolarHBondContact O-N 3.21Å; P220-D222 VanDerWaalsContact O-N 3.12Å; P220-G223 PolarHBondContact O-N 3.25Å
221E66.9Low75Confident204 Ų20480.2 Ų80.295%0.95343%0.43SS*.THydrogen-bonded Turntrans-56.4-31.9-176.4-67.9-175.4162.100113.7
222D69.1Low74.7Confident170 Ų17079.4 Ų79.491%0.90943%0.43SS*.THydrogen-bonded Turntrans-95.60.5178.6-59.9-40.4000113.7P220P220-D222 PolarHBondContact O-N 3.21Å; P220-D222 VanDerWaalsContact O-N 3.12Å
223G64.1Low74.6Confident18 Ų1880.4 Ų80.419%0.18644%0.437CS..  trans-103.7157.2-170.700000114.4T219 P220 E227T219-G223 WeakPolarHBondContact CG2-O 3.3Å; P220-G223 PolarHBondContact O-N 3.25Å; G223-E227 WeakPolarHBondContact CA-OE2 3.47Å
224T66.7Low74.2Confident77 Ų7780.5 Ų80.547%0.47244%0.435SS..  trans-86.4156.5171.259.20000111.9D226 E227T224-D226 PolarHBondContact O-N 3.37Å; T224-E227 VanDerWaalsContact N-CD 3.31Å; T224-E227 PolarHBondContact N-OE1 3.07Å; T224-E227 WeakPolarHBondContact O-CB 3.44Å; T224-E227 PolarHBondContact O-N 2.91Å; T224-E227 WeakPolarHBondContact OG1-CG 3.49Å; T224-E227 PolarHBondContact OG1-OE1 3.44Å
225K63.7Low74Confident70 Ų7085.9 Ų85.930%0.30446%0.456SS..THydrogen-bonded Turntrans-57.2-17.1175.2-72.4-174.2-179.6-177.90113.8E212 K215E212-K225 IonicContact OE2-NZ 3.1Å; E212-K225 PolarHBondContact OE2-NZ 2.86Å; K215-K225 PolarHBondContact NZ-O 3.27Å
226D61.9Low74.1Confident149 Ų14984.9 Ų84.980%0.79745%0.451SS*.THydrogen-bonded Turntrans-88.2-14.7-179.6-62.7-33.5000112.8T224 I228T224-D226 PolarHBondContact O-N 3.37Å; D226-I228 VanDerWaalsContact C-N 3.29Å
227E61.9Low74.1Confident115 Ų11579 Ų7954%0.53744%0.435SS..SBendtrans-80.6-11.3174.5-74.1161.3-132.600113.3G223 T224 N229G223-E227 WeakPolarHBondContact CA-OE2 3.47Å; T224-E227 VanDerWaalsContact N-CD 3.31Å; T224-E227 PolarHBondContact N-OE1 3.07Å; T224-E227 WeakPolarHBondContact O-CB 3.44Å; T224-E227 PolarHBondContact O-N 2.91Å; T224-E227 WeakPolarHBondContact OG1-CG 3.49Å; T224-E227 PolarHBondContact OG1-OE1 3.44Å; E227-N229 PolarHBondContact O-N 3.4Å; E227-N229 VanDerWaalsContact O-N 3.13Å
228I69.1Low74.1Confident16 Ų1673.1 Ų73.18%0.08241%0.409CS..SBendtrans-63.9118.3176.7-59.3176.7000108.7K215 T219 D226 T232K215-I228 HydrophobicContact CB-CD1 3.87Å; K215-I228 HydrophobicContact CD-CD1 4.08Å; K215-I228 HydrophobicContact CG-CD1 3.83Å; T219-I228 WeakPolarHBondContact OG1-CD1 3.24Å; D226-I228 VanDerWaalsContact C-N 3.29Å; I228-T232 HydrophobicContact CG2-CG2 3.34Å
229N76.7Confident74.2Confident91 Ų9172.6 Ų72.649%0.48741%0.406SS..  trans-57157.7-179.874.650.2000112.1E227 I231 T232 T233E227-N229 PolarHBondContact O-N 3.4Å; E227-N229 VanDerWaalsContact O-N 3.13Å; N229-I231 VanDerWaalsContact C-N 3.28Å; N229-I231 PolarHBondContact O-N 3.27Å; N229-I231 WeakPolarHBondContact OD1-CA 3.29Å; N229-I231 WeakPolarHBondContact OD1-CB 3.45Å; N229-I231 PolarHBondContact OD1-N 3.05Å; N229-I231 VanDerWaalsContact OD1-N 3.08Å; N229-T232 PolarHBondContact ND2-OG1 2.96Å; N229-T232 PolarHBondContact O-N 3.44Å; N229-T232 PolarHBondContact OD1-N 3.38Å; N229-T232 PolarHBondContact OD1-OG1 3.14Å; N229-T232 VanDerWaalsContact OD1-OG1 3.11Å; N229-T233 PolarHBondContact O-N 2.81Å; N229-T233 PolarHBondContact O-OG1 3.49Å
230G72.8Confident74.6Confident53 Ų5371.4 Ų71.455%0.54640%0.399SS..Hα-helixtrans-51.9-45.2-178.400000112.9T232 T233 C234G230-T232 PolarHBondContact O-N 2.98Å; G230-T233 WeakPolarHBondContact O-CB 3.33Å; G230-T233 PolarHBondContact O-N 3.45Å; G230-C234 PolarHBondContact O-N 3.46Å; G230-C234 PolarHBondContact O-SG 3.23Å
231I76.2Confident75.2Confident125 Ų12567.9 Ų67.964%0.64138%0.377SS*.Hα-helixtrans-61.6-43.6-178.8-61172.3000111.8N229 T233 C234 F235N229-I231 VanDerWaalsContact C-N 3.28Å; N229-I231 PolarHBondContact O-N 3.27Å; N229-I231 WeakPolarHBondContact OD1-CA 3.29Å; N229-I231 WeakPolarHBondContact OD1-CB 3.45Å; N229-I231 PolarHBondContact OD1-N 3.05Å; N229-I231 VanDerWaalsContact OD1-N 3.08Å; I231-T233 VanDerWaalsContact C-N 3.35Å; I231-C234 WeakPolarHBondContact O-CB 3.45Å; I231-C234 PolarHBondContact O-N 3.13Å; I231-F235 PolarHBondContact O-N 2.91Å
232T80Confident76.2Confident34 Ų3461.2 Ų61.221%0.20935%0.347CS..Hα-helixtrans-66.3-40.5177.3-58.50000110.5L218 I228 N229 G230 C234 F235 C236L218-T232 HydrophobicContact CB-CG2 3.84Å; L218-T232 HydrophobicContact CD1-CG2 3.68Å; L218-T232 HydrophobicContact CG-CG2 4.32Å; I228-T232 HydrophobicContact CG2-CG2 3.34Å; N229-T232 PolarHBondContact ND2-OG1 2.96Å; N229-T232 PolarHBondContact O-N 3.44Å; N229-T232 PolarHBondContact OD1-N 3.38Å; N229-T232 PolarHBondContact OD1-OG1 3.14Å; N229-T232 VanDerWaalsContact OD1-OG1 3.11Å; G230-T232 PolarHBondContact O-N 2.98Å; T232-C234 VanDerWaalsContact C-N 3.29Å; T232-C234 PolarHBondContact O-N 3.44Å; T232-F235 WeakPolarHBondContact O-CB 3.36Å; T232-F235 PolarHBondContact O-N 3.15Å; T232-F235 VanDerWaalsContact O-N 3.14Å; T232-C236 PolarHBondContact O-N 3.01Å; T232-C236 PolarHBondContact O-SG 2.91Å
233T79Confident77.2Confident39 Ų3954.5 Ų54.524%0.23932%0.316CS..Hα-helixtrans-60.8-38.2172-63.30000111.7Y211 N229 G230 I231 C236 G237Y211-T233 HydrophobicContact CE2-CG2 4.34Å; N229-T233 PolarHBondContact O-N 2.81Å; N229-T233 PolarHBondContact O-OG1 3.49Å; G230-T233 WeakPolarHBondContact O-CB 3.33Å; G230-T233 PolarHBondContact O-N 3.45Å; I231-T233 VanDerWaalsContact C-N 3.35Å; T233-C236 PolarHBondContact O-N 2.83Å; T233-G237 PolarHBondContact O-N 3.31Å
234C77.5Confident78.4Confident25 Ų2554.5 Ų54.517%0.16931%0.31CS..Hα-helixtrans-59.1-47.9172.8-51.40000111.2G230 I231 T232 G237 G238 F301G230-C234 PolarHBondContact O-N 3.46Å; G230-C234 PolarHBondContact O-SG 3.23Å; I231-C234 WeakPolarHBondContact O-CB 3.45Å; I231-C234 PolarHBondContact O-N 3.13Å; T232-C234 VanDerWaalsContact C-N 3.29Å; T232-C234 PolarHBondContact O-N 3.44Å; C234-G237 CarbonylContact O-C 3.54Å; C234-G237 PolarHBondContact O-N 3.47Å; C234-G237 VanDerWaalsContact O-N 3.16Å; C234-G238 PolarHBondContact O-N 2.87Å; C234-F301 HydrophobicContact CB-CD2 3.85Å; C234-F301 HydrophobicContact CB-CE1 4.2Å; C234-F301 HydrophobicContact CB-CE2 3.32Å; C234-F301 HydrophobicContact CB-CZ 3.54Å; C234-F301 WeakPolarHBondContact SG-CD1 3.44Å; C234-F301 WeakPolarHBondContact SG-CD2 3.43Å; C234-F301 WeakPolarHBondContact SG-CE1 3.44Å; C234-F301 WeakPolarHBondContact SG-CE2 3.34Å; C234-F301 VanDerWaalsContact SG-CG 3.53Å; C234-F301 WeakPolarHBondContact SG-CZ 3.29Å
235F82.9Confident79.3Confident124 Ų12452.8 Ų52.854%0.54430%0.295SS..Hα-helixtrans-63.1-44-178.2-176.5-105.7000111.1L218 I231 T232 G237 G238 L239L218-F235 HydrophobicContact CD1-CD1 4.24Å; I231-F235 PolarHBondContact O-N 2.91Å; T232-F235 WeakPolarHBondContact O-CB 3.36Å; T232-F235 PolarHBondContact O-N 3.15Å; T232-F235 VanDerWaalsContact O-N 3.14Å; F235-G237 VanDerWaalsContact C-N 3.31Å; F235-G237 PolarHBondContact O-N 2.88Å; F235-G238 PolarHBondContact O-N 3.42Å; F235-G238 VanDerWaalsContact O-N 3.16Å; F235-L239 HydrophobicContact CD1-CD1 3.93Å; F235-L239 HydrophobicContact CD1-CG 4.36Å; F235-L239 HydrophobicContact CE1-CD1 3.46Å; F235-L239 VanDerWaalsContact CE1-CD1 3.46Å; F235-L239 HydrophobicContact CE1-CG 4.03Å; F235-L239 HydrophobicContact CZ-CD1 3.95Å; F235-L239 HydrophobicContact CZ-CD2 4.22Å; F235-L239 HydrophobicContact CZ-CG 4.13Å; F235-L239 WeakPolarHBondContact O-CG 3.49Å; F235-L239 PolarHBondContact O-N 2.9Å
236C84.4Confident80.5Confident0 Ų051.9 Ų51.90%030%0.296CS..Hα-helixtrans-57-44.4171.4-63.60000111.6Y211 A214 K215 T232 T233 G238 L239 A240Y211-C236 HydrophobicContact CD2-CB 3.88Å; Y211-C236 HydrophobicContact CE2-CB 4.03Å; A214-C236 HydrophobicContact CB-CB 4.03Å; K215-C236 HydrophobicContact CG-CB 4.25Å; T232-C236 PolarHBondContact O-N 3.01Å; T232-C236 PolarHBondContact O-SG 2.91Å; T233-C236 PolarHBondContact O-N 2.83Å; C236-G238 PolarHBondContact O-N 3.36Å; C236-L239 PolarHBondContact O-N 3.28Å; C236-A240 VanDerWaalsContact O-CB 3.25Å; C236-A240 WeakPolarHBondContact O-CB 3.42Å; C236-A240 PolarHBondContact O-N 3.02Å
237G82Confident81.8Confident22 Ų2246.6 Ų46.623%0.22727%0.27CS..Hα-helixtrans-62.9-38.2175.700000113.3T233 C234 F235 A240 G241T233-G237 PolarHBondContact O-N 3.31Å; C234-G237 CarbonylContact O-C 3.54Å; C234-G237 PolarHBondContact O-N 3.47Å; C234-G237 VanDerWaalsContact O-N 3.16Å; F235-G237 VanDerWaalsContact C-N 3.31Å; F235-G237 PolarHBondContact O-N 2.88Å; G237-A240 PolarHBondContact O-N 3.48Å; G237-G241 PolarHBondContact O-N 2.86Å
238G83.9Confident83.1Confident19 Ų1941.4 Ų41.420%0.19625%0.246CC..Hα-helixtrans-65.3-46.6174.900000112.5C234 F235 C236 A240 G241 I242C234-G238 PolarHBondContact O-N 2.87Å; F235-G238 PolarHBondContact O-N 3.42Å; F235-G238 VanDerWaalsContact O-N 3.16Å; C236-G238 PolarHBondContact O-N 3.36Å; G238-A240 VanDerWaalsContact C-N 3.33Å; G238-A240 PolarHBondContact O-N 3.3Å; G238-G241 PolarHBondContact O-N 3.03Å; G238-I242 WeakPolarHBondContact O-CG1 3.35Å; G238-I242 PolarHBondContact O-N 3.49Å
239L87.1Confident84Confident69 Ų6940.6 Ų40.636%0.36124%0.242SC..Hα-helixtrans-61.1-42.7174.1-70.7-179000111.7A214 F235 C236 G241 I242 A243A214-L239 HydrophobicContact CB-CD1 4.25Å; F235-L239 HydrophobicContact CD1-CD1 3.93Å; F235-L239 HydrophobicContact CD1-CG 4.36Å; F235-L239 HydrophobicContact CE1-CD1 3.46Å; F235-L239 VanDerWaalsContact CE1-CD1 3.46Å; F235-L239 HydrophobicContact CE1-CG 4.03Å; F235-L239 HydrophobicContact CZ-CD1 3.95Å; F235-L239 HydrophobicContact CZ-CD2 4.22Å; F235-L239 HydrophobicContact CZ-CG 4.13Å; F235-L239 WeakPolarHBondContact O-CG 3.49Å; F235-L239 PolarHBondContact O-N 2.9Å; C236-L239 PolarHBondContact O-N 3.28Å; L239-G241 VanDerWaalsContact C-N 3.34Å; L239-G241 PolarHBondContact O-N 3Å; L239-I242 PolarHBondContact O-N 3.31Å; L239-A243 PolarHBondContact O-N 2.94Å
240A87Confident84.6Confident0 Ų037.2 Ų37.20%023%0.225CC..Hα-helixtrans-59.9-43.6174.500000112F207 A210 C236 G237 G238 I242 A243 F244F207-A240 HydrophobicContact CD1-CB 4.37Å; F207-A240 VanDerWaalsContact CD2-C 3.48Å; F207-A240 HydrophobicContact CD2-CB 3.68Å; F207-A240 WeakPolarHBondContact CD2-O 3.18Å; F207-A240 HydrophobicContact CE1-CB 4.35Å; F207-A240 HydrophobicContact CE2-CB 3.66Å; F207-A240 HydrophobicContact CG-CB 4.04Å; F207-A240 HydrophobicContact CZ-CB 4.01Å; F207-A240 VanDerWaalsContact O-CB 3.27Å; F207-A240 WeakPolarHBondContact O-CB 3.41Å; A210-A240 HydrophobicContact CB-CB 4.44Å; C236-A240 VanDerWaalsContact O-CB 3.25Å; C236-A240 WeakPolarHBondContact O-CB 3.42Å; C236-A240 PolarHBondContact O-N 3.02Å; G237-A240 PolarHBondContact O-N 3.48Å; G238-A240 VanDerWaalsContact C-N 3.33Å; G238-A240 PolarHBondContact O-N 3.3Å; A240-I242 PolarHBondContact O-N 2.92Å; A240-A243 PolarHBondContact O-N 3.25Å; A240-F244 WeakPolarHBondContact O-CB 3.31Å; A240-F244 PolarHBondContact O-N 3.02Å
241G85.9Confident85.2Confident6 Ų635.9 Ų35.96%0.06221%0.209CC..Hα-helixtrans-60.6-42173.700000112.5G237 G238 L239 F244 W245G237-G241 PolarHBondContact O-N 2.86Å; G238-G241 PolarHBondContact O-N 3.03Å; L239-G241 VanDerWaalsContact C-N 3.34Å; L239-G241 PolarHBondContact O-N 3Å; G241-F244 PolarHBondContact O-N 3.48Å; G241-W245 PolarHBondContact O-N 2.93Å
242I88.7Confident85.6Confident64 Ų6430.2 Ų30.233%0.32818%0.18SC..Hα-helixtrans-64.3-43.6176-67166.1000110.8G238 L239 A240 W245 T246 I290G238-I242 WeakPolarHBondContact O-CG1 3.35Å; G238-I242 PolarHBondContact O-N 3.49Å; L239-I242 PolarHBondContact O-N 3.31Å; A240-I242 PolarHBondContact O-N 2.92Å; I242-W245 PolarHBondContact O-N 2.89Å; I242-T246 VanDerWaalsContact O-CB 3.22Å; I242-T246 WeakPolarHBondContact O-CB 3.14Å; I242-T246 PolarHBondContact O-N 3.24Å; I242-T246 PolarHBondContact O-OG1 3.5Å; I242-I290 HydrophobicContact CD1-CG2 4.42Å; I242-I290 HydrophobicContact CG1-CG2 4.29Å
243A89.4Confident85.8Confident29 Ų2929 Ų2924%0.2417%0.173CC..Hα-helixtrans-62.9-45.1177.400000111.9F206 A210 L239 A240 S247F206-A243 HydrophobicContact CB-CB 4.5Å; A210-A243 HydrophobicContact CB-CB 3.56Å; L239-A243 PolarHBondContact O-N 2.94Å; A240-A243 PolarHBondContact O-N 3.25Å; A243-S247 WeakPolarHBondContact O-CB 3.41Å; A243-S247 PolarHBondContact O-N 3.33Å; A243-S247 PolarHBondContact O-OG 2.92Å; A243-S247 VanDerWaalsContact O-OG 3.08Å
244F88.9Confident86Confident17 Ų1727.2 Ų27.28%0.07516%0.161CC..Hα-helixtrans-53.2-61.8172179.2-86.7000110.2G203 Y204 F207 A240 G241 T246 S247 I248G203-F244 WeakPolarHBondContact O-CD2 3.28Å; Y204-F244 HydrophobicContact CD2-CE2 4.09Å; Y204-F244 HydrophobicContact CE2-CE2 4.23Å; Y204-F244 HydrophobicContact CG-CE2 4.43Å; F207-F244 HydrophobicContact CB-CB 4.07Å; F207-F244 HydrophobicContact CB-CD2 4.03Å; F207-F244 HydrophobicContact CD2-CB 4.05Å; A240-F244 WeakPolarHBondContact O-CB 3.31Å; A240-F244 PolarHBondContact O-N 3.02Å; G241-F244 PolarHBondContact O-N 3.48Å; F244-T246 VanDerWaalsContact C-N 3.32Å; F244-T246 PolarHBondContact O-N 2.91Å; F244-S247 PolarHBondContact O-N 3.12Å; F244-S247 VanDerWaalsContact O-N 3.17Å; F244-S247 PolarHBondContact O-OG 2.74Å; F244-I248 HydrophobicContact CD1-CD1 3.97Å; F244-I248 HydrophobicContact CD1-CG1 4.13Å; F244-I248 HydrophobicContact CE1-CD1 3.29Å; F244-I248 HydrophobicContact CE1-CG1 3.96Å; F244-I248 HydrophobicContact CZ-CD1 3.71Å; F244-I248 HydrophobicContact CZ-CG1 4.47Å; F244-I248 VanDerWaalsContact O-CG1 3.3Å; F244-I248 WeakPolarHBondContact O-CG1 3.41Å; F244-I248 PolarHBondContact O-N 3.25Å; F244-I248 VanDerWaalsContact O-N 3.11Å
245W86.9Confident86.2Confident41 Ų4127.1 Ų27.116%0.15516%0.158CC..Hα-helixtrans-62.5-39.6-173.6-73.5115.3000112.3G241 I242 I248 F249 L286 T289 T293G241-W245 PolarHBondContact O-N 2.93Å; I242-W245 PolarHBondContact O-N 2.89Å; W245-I248 HydrophobicContact CE3-CD1 3.91Å; W245-I248 HydrophobicContact CE3-CG1 4.28Å; W245-I248 HydrophobicContact CZ3-CD1 3.84Å; W245-F249 WeakPolarHBondContact O-CA 3.41Å; W245-F249 WeakPolarHBondContact O-CB 3.37Å; W245-F249 PolarHBondContact O-N 3.25Å; W245-L286 HydrophobicContact CB-CD1 4.35Å; W245-T289 HydrophobicContact CB-CG2 4.1Å; W245-T289 HydrophobicContact CD2-CG2 3.43Å; W245-T289 VanDerWaalsContact CD2-CG2 3.43Å; W245-T289 HydrophobicContact CE3-CG2 3.82Å; W245-T289 HydrophobicContact CG-CG2 3.54Å; W245-T293 PolarHBondContact NE1-OG1 3.16Å
246T89.3Confident85.9Confident51 Ų5121.8 Ų21.831%0.31314%0.136SC..Hα-helixtrans-67-36.9179.8-54.20000111.8I242 F244 Y283I242-T246 VanDerWaalsContact O-CB 3.22Å; I242-T246 WeakPolarHBondContact O-CB 3.14Å; I242-T246 PolarHBondContact O-N 3.24Å; I242-T246 PolarHBondContact O-OG1 3.5Å; F244-T246 VanDerWaalsContact C-N 3.32Å; F244-T246 PolarHBondContact O-N 2.91Å; T246-Y283 HydrophobicContact CG2-CE1 4.31Å; T246-Y283 WeakPolarHBondContact O-CE1 3.38Å
247S89.2Confident85.6Confident38 Ų3823.2 Ų23.227%0.26614%0.143SC..Hα-helixtrans-71.5-42.3179.2650000112.9F206 A243 F244F206-S247 VanDerWaalsContact CD2-OG 3.31Å; F206-S247 WeakPolarHBondContact CD2-OG 3.45Å; A243-S247 WeakPolarHBondContact O-CB 3.41Å; A243-S247 PolarHBondContact O-N 3.33Å; A243-S247 PolarHBondContact O-OG 2.92Å; A243-S247 VanDerWaalsContact O-OG 3.08Å; F244-S247 PolarHBondContact O-N 3.12Å; F244-S247 VanDerWaalsContact O-N 3.17Å; F244-S247 PolarHBondContact O-OG 2.74Å
248I88.5Confident85.4Confident6 Ų623.9 Ų23.93%0.03114%0.14CC..Hα-helixtrans-89.7-12.5-175.565.5149.2000113.9R199 F244 W245 P250 A251 D252R199-I248 HydrophobicContact CG-CB 4.06Å; R199-I248 HydrophobicContact CG-CD1 3.63Å; R199-I248 HydrophobicContact CG-CG1 4.48Å; R199-I248 HydrophobicContact CG-CG2 4.29Å; R199-I248 VanDerWaalsContact O-CG2 3.29Å; R199-I248 WeakPolarHBondContact O-CG2 3.28Å; F244-I248 HydrophobicContact CD1-CD1 3.97Å; F244-I248 HydrophobicContact CD1-CG1 4.13Å; F244-I248 HydrophobicContact CE1-CD1 3.29Å; F244-I248 HydrophobicContact CE1-CG1 3.96Å; F244-I248 HydrophobicContact CZ-CD1 3.71Å; F244-I248 HydrophobicContact CZ-CG1 4.47Å; F244-I248 VanDerWaalsContact O-CG1 3.3Å; F244-I248 WeakPolarHBondContact O-CG1 3.41Å; F244-I248 PolarHBondContact O-N 3.25Å; F244-I248 VanDerWaalsContact O-N 3.11Å; W245-I248 HydrophobicContact CE3-CD1 3.91Å; W245-I248 HydrophobicContact CE3-CG1 4.28Å; W245-I248 HydrophobicContact CZ3-CD1 3.84Å; I248-P250 VanDerWaalsContact C-CD 3.48Å; I248-A251 WeakPolarHBondContact O-CB 3.28Å; I248-A251 PolarHBondContact O-N 2.97Å; I248-D252 PolarHBondContact O-N 2.93Å
249F87.5Confident84.8Confident0 Ų026.9 Ų26.90%015%0.149CC..Hα-helixtrans-52.6-44.8-172.6-140.8-92.3000114.3W245 A251 D252 V253 L282 Y283 C284 G285 L286 T289W245-F249 WeakPolarHBondContact O-CA 3.41Å; W245-F249 WeakPolarHBondContact O-CB 3.37Å; W245-F249 PolarHBondContact O-N 3.25Å; F249-A251 VanDerWaalsContact C-N 3.3Å; F249-A251 PolarHBondContact O-N 3.02Å; F249-D252 WeakPolarHBondContact O-CB 3.43Å; F249-D252 PolarHBondContact O-N 3.08Å; F249-D252 VanDerWaalsContact O-N 3.16Å; F249-V253 HydrophobicContact CD1-CG2 3.78Å; F249-V253 HydrophobicContact CE1-CG2 3.66Å; F249-V253 PolarHBondContact O-N 2.99Å; F249-L282 WeakPolarHBondContact CD1-O 3.39Å; F249-Y283 HydrophobicContact CB-CD1 3.93Å; F249-Y283 HydrophobicContact CB-CE1 4.11Å; F249-Y283 HydrophobicContact CD1-CD1 4.39Å; F249-Y283 HydrophobicContact CG-CD1 4.41Å; F249-C284 VanDerWaalsContact CE1-O 3.29Å; F249-C284 WeakPolarHBondContact CE1-O 3.39Å; F249-G285 WeakPolarHBondContact CZ-O 3.44Å; F249-L286 HydrophobicContact CB-CD1 4.47Å; F249-L286 HydrophobicContact CD1-CB 4.28Å; F249-L286 HydrophobicContact CD2-CB 4.28Å; F249-L286 HydrophobicContact CD2-CD1 3.63Å; F249-L286 HydrophobicContact CE1-CB 4.23Å; F249-L286 HydrophobicContact CE2-CB 4.24Å; F249-L286 HydrophobicContact CE2-CD1 4.13Å; F249-L286 HydrophobicContact CG-CB 4.3Å; F249-L286 HydrophobicContact CG-CD1 4.03Å; F249-L286 HydrophobicContact CZ-CB 4.23Å; F249-T289 HydrophobicContact CE2-CG2 4.3Å; F249-T289 WeakPolarHBondContact CE2-OG1 3.33Å
250P88.8Confident83.9Confident20 Ų2026.4 Ų26.413%0.1315%0.149CC..Hα-helixtrans-58.2-41.8177.6-27.637.6000113.1I248 V253 V254 F270 L282 Y283I248-P250 VanDerWaalsContact C-CD 3.48Å; P250-V253 PolarHBondContact O-N 3.31Å; P250-V254 WeakPolarHBondContact O-CG2 3.44Å; P250-V254 PolarHBondContact O-N 3.43Å; P250-F270 HydrophobicContact CB-CE2 4.5Å; P250-L282 HydrophobicContact CB-CB 4.05Å; P250-L282 HydrophobicContact CB-CD1 4.31Å; P250-L282 HydrophobicContact CB-CD2 4.33Å; P250-L282 HydrophobicContact CB-CG 4.48Å; P250-L282 HydrophobicContact CG-CB 4.28Å; P250-Y283 HydrophobicContact CG-CE1 4.07Å; P250-Y283 HydrophobicContact CG-CE2 4.24Å
251A86.7Confident83.2Confident25 Ų2531.9 Ų31.921%0.20718%0.175CC..Hα-helixtrans-68.4-38.8177.300000111.5I248 F249 V254 K255 F266I248-A251 WeakPolarHBondContact O-CB 3.28Å; I248-A251 PolarHBondContact O-N 2.97Å; F249-A251 VanDerWaalsContact C-N 3.3Å; F249-A251 PolarHBondContact O-N 3.02Å; A251-V254 PolarHBondContact O-N 3.09Å; A251-K255 VanDerWaalsContact O-CB 3.23Å; A251-K255 WeakPolarHBondContact O-CB 3.29Å; A251-K255 PolarHBondContact O-N 2.75Å; A251-F266 HydrophobicContact CB-CE2 4.26Å; A251-F266 HydrophobicContact CB-CZ 4.08Å
252D84.5Confident82.3Confident6 Ų634.9 Ų34.93%0.03221%0.205CC..Hα-helixtrans-59.6-46.7175-112.420.6000111.4K53 R199 I248 F249 V254 K255 S256K53-D252 IonicContact NZ-OD2 3.68Å; K53-D252 PolarHBondContact NZ-OD2 2.75Å; R199-D252 WeakPolarHBondContact CD-OD1 3.36Å; R199-D252 IonicContact NE-OD1 3.94Å; R199-D252 IonicContact NH1-OD1 2.77Å; I248-D252 PolarHBondContact O-N 2.93Å; F249-D252 WeakPolarHBondContact O-CB 3.43Å; F249-D252 PolarHBondContact O-N 3.08Å; F249-D252 VanDerWaalsContact O-N 3.16Å; D252-V254 PolarHBondContact O-N 2.89Å; D252-K255 PolarHBondContact O-N 2.95Å; D252-S256 PolarHBondContact O-N 3.46Å; D252-S256 PolarHBondContact O-OG 2.85Å; D252-S256 VanDerWaalsContact O-OG 3.09Å
253V83.3Confident81.5Confident9 Ų935.8 Ų35.86%0.05522%0.218CC..Hα-helixtrans-62.3-44.8178.2170.10000111.8F249 P250 S256 K257 L282F249-V253 HydrophobicContact CD1-CG2 3.78Å; F249-V253 HydrophobicContact CE1-CG2 3.66Å; F249-V253 PolarHBondContact O-N 2.99Å; P250-V253 PolarHBondContact O-N 3.31Å; V253-S256 PolarHBondContact O-N 2.85Å; V253-K257 HydrophobicContact CG1-CD 4.48Å; V253-K257 PolarHBondContact O-N 3.48Å; V253-L282 WeakPolarHBondContact CG2-O 3.43Å
254V84.6Confident80.9Confident0 Ų036.8 Ų36.80%023%0.23CC..Hα-helixtrans-65.6-44178.2174.10000111P250 A251 D252 S256 K257 I258 F266 T269 F270 L282P250-V254 WeakPolarHBondContact O-CG2 3.44Å; P250-V254 PolarHBondContact O-N 3.43Å; A251-V254 PolarHBondContact O-N 3.09Å; D252-V254 PolarHBondContact O-N 2.89Å; V254-S256 PolarHBondContact O-N 3.32Å; V254-K257 PolarHBondContact O-N 3.38Å; V254-I258 HydrophobicContact CG1-CD1 3.93Å; V254-I258 WeakPolarHBondContact O-CG1 3.39Å; V254-I258 PolarHBondContact O-N 3.1Å; V254-F266 HydrophobicContact CB-CD2 4.17Å; V254-F266 HydrophobicContact CB-CE2 3.78Å; V254-F266 HydrophobicContact CB-CZ 4.16Å; V254-F266 HydrophobicContact CG1-CD1 4.38Å; V254-F266 HydrophobicContact CG1-CD2 3.43Å; V254-F266 VanDerWaalsContact CG1-CD2 3.43Å; V254-F266 HydrophobicContact CG1-CE1 4.49Å; V254-F266 HydrophobicContact CG1-CE2 3.58Å; V254-F266 HydrophobicContact CG1-CG 3.87Å; V254-F266 HydrophobicContact CG1-CZ 4.12Å; V254-T269 HydrophobicContact CG1-CG2 4.06Å; V254-F270 HydrophobicContact CG2-CB 3.93Å; V254-F270 HydrophobicContact CG2-CD2 3.96Å; V254-F270 HydrophobicContact CG2-CG 4.42Å; V254-L282 HydrophobicContact CG2-CD2 4.28Å
255K81.8Confident80.7Confident24 Ų2439 Ų3910%0.10425%0.248CC..Hα-helixtrans-56.3-50.9174.9176.9179.2171.5179.20110.6E148 A251 D252 K257 I258 Q259E148-K255 IonicContact OE1-NZ 2.65Å; E148-K255 IonicContact OE2-NZ 3.3Å; E148-K255 PolarHBondContact OE2-NZ 3.46Å; A251-K255 VanDerWaalsContact O-CB 3.23Å; A251-K255 WeakPolarHBondContact O-CB 3.29Å; A251-K255 PolarHBondContact O-N 2.75Å; D252-K255 PolarHBondContact O-N 2.95Å; K255-K257 PolarHBondContact O-N 3.2Å; K255-I258 PolarHBondContact O-N 2.85Å; K255-Q259 HydrophobicContact CG-CG 4.42Å; K255-Q259 WeakPolarHBondContact O-CB 3.49Å; K255-Q259 VanDerWaalsContact O-CG 3.24Å; K255-Q259 WeakPolarHBondContact O-CG 3.49Å; K255-Q259 PolarHBondContact O-N 3.01Å
256S76.4Confident80.6Confident12 Ų1241.4 Ų41.48%0.08426%0.26CS..Hα-helixtrans-61.2-42179.6-62.70000112.8D252 V253 V254 Q259 V260D252-S256 PolarHBondContact O-N 3.46Å; D252-S256 PolarHBondContact O-OG 2.85Å; D252-S256 VanDerWaalsContact O-OG 3.09Å; V253-S256 PolarHBondContact O-N 2.85Å; V254-S256 PolarHBondContact O-N 3.32Å; S256-Q259 PolarHBondContact O-N 3.4Å; S256-V260 WeakPolarHBondContact O-CG2 3.39Å; S256-V260 PolarHBondContact O-N 3.39Å
257K76.6Confident80.7Confident30 Ų3045.2 Ų45.213%0.1328%0.277CS..Hα-helixtrans-62.4-44.8176.8-83.7176.4171.3-97.60112.7V253 V254 K255 Q259 V260 Q261 T269 V273V253-K257 HydrophobicContact CG1-CD 4.48Å; V253-K257 PolarHBondContact O-N 3.48Å; V254-K257 PolarHBondContact O-N 3.38Å; K255-K257 PolarHBondContact O-N 3.2Å; K257-Q259 VanDerWaalsContact C-N 3.32Å; K257-Q259 PolarHBondContact O-N 3Å; K257-V260 PolarHBondContact O-N 3.3Å; K257-Q261 WeakPolarHBondContact O-CB 3.44Å; K257-Q261 WeakPolarHBondContact O-CG 3.45Å; K257-Q261 PolarHBondContact O-N 2.9Å; K257-T269 HydrophobicContact CB-CG2 3.79Å; K257-T269 HydrophobicContact CD-CG2 4.35Å; K257-V273 HydrophobicContact CD-CG2 3.32Å
258I77.7Confident80.7Confident35 Ų3547.5 Ų47.518%0.17929%0.29CS..Hα-helixtrans-63-41.6175.8-67.7170.6000110.6V254 K255 V260 Q261 G262 F266 T269V254-I258 HydrophobicContact CG1-CD1 3.93Å; V254-I258 WeakPolarHBondContact O-CG1 3.39Å; V254-I258 PolarHBondContact O-N 3.1Å; K255-I258 PolarHBondContact O-N 2.85Å; I258-V260 VanDerWaalsContact C-N 3.3Å; I258-V260 PolarHBondContact O-N 3.39Å; I258-Q261 PolarHBondContact O-N 3.43Å; I258-G262 PolarHBondContact O-N 3.16Å; I258-F266 HydrophobicContact CD1-CB 4.45Å; I258-T269 HydrophobicContact CG1-CG2 4.06Å
259Q71.5Confident80.6Confident82 Ų8247.4 Ų47.438%0.38329%0.29SS..Hα-helixtrans-63.2-34.9179.1-76177.7-34.500112.8K255 S256 K257K255-Q259 HydrophobicContact CG-CG 4.42Å; K255-Q259 WeakPolarHBondContact O-CB 3.49Å; K255-Q259 VanDerWaalsContact O-CG 3.24Å; K255-Q259 WeakPolarHBondContact O-CG 3.49Å; K255-Q259 PolarHBondContact O-N 3.01Å; S256-Q259 PolarHBondContact O-N 3.4Å; K257-Q259 VanDerWaalsContact C-N 3.32Å; K257-Q259 PolarHBondContact O-N 3Å
260V69.2Low80.7Confident59 Ų5951.1 Ų51.136%0.35831%0.306SS..Hα-helixtrans-74.2-43.4175.9176.20000111.6S58 S256 K257 I258 G262S58-V260 VanDerWaalsContact O-CG1 3.29Å; S58-V260 WeakPolarHBondContact O-CG1 3.39Å; S58-V260 WeakPolarHBondContact O-CG2 3.45Å; S256-V260 WeakPolarHBondContact O-CG2 3.39Å; S256-V260 PolarHBondContact O-N 3.39Å; K257-V260 PolarHBondContact O-N 3.3Å; I258-V260 VanDerWaalsContact C-N 3.3Å; I258-V260 PolarHBondContact O-N 3.39Å; V260-G262 PolarHBondContact O-N 3.27Å
261Q72.5Confident80.9Confident116 Ų11652.8 Ų52.854%0.54232%0.322SS..Hα-helixtrans-72.2-18-179.7-70.1175.5-19.500112.3K257 I258 S263K257-Q261 WeakPolarHBondContact O-CB 3.44Å; K257-Q261 WeakPolarHBondContact O-CG 3.45Å; K257-Q261 PolarHBondContact O-N 2.9Å; I258-Q261 PolarHBondContact O-N 3.43Å; Q261-S263 PolarHBondContact O-N 3.42Å; Q261-S263 VanDerWaalsContact O-N 3.12Å
262G66.3Low81.1Confident68 Ų6852.7 Ų52.770%0.70132%0.319SS*.SBendtrans70.8-2-17800000114.4I258 V260I258-G262 PolarHBondContact O-N 3.16Å; V260-G262 PolarHBondContact O-N 3.27Å
263S72.9Confident81.2Confident84 Ų8452.5 Ų52.559%0.58732%0.319SS*.  trans-159158.2-178.662.10000110.5Q261Q261-S263 PolarHBondContact O-N 3.42Å; Q261-S263 VanDerWaalsContact O-N 3.12Å
264G75.2Confident81.7Confident49 Ų4954.6 Ų54.651%0.50533%0.331SS..  trans136.1151.4177.900000113.1
265S86.2Confident82.1Confident64 Ų6464.2 Ų64.245%0.44837%0.367SS..  trans-89.3143.1171.7173.70000110.1L267 T268 T269S265-L267 VanDerWaalsContact C-N 3.26Å; S265-L267 PolarHBondContact O-N 2.72Å; S265-T268 WeakPolarHBondContact CB-OG1 3.19Å; S265-T268 PolarHBondContact N-OG1 3.22Å; S265-T268 PolarHBondContact O-N 2.63Å; S265-T268 PolarHBondContact O-OG1 3.4Å; S265-T269 PolarHBondContact O-N 2.77Å; S265-T269 PolarHBondContact O-OG1 3.19Å
266F85Confident82.4Confident92 Ų9268.7 Ų68.740%0.40439%0.388SS..Hα-helixtrans-53-45.8177.3-172.6-85.8000111.6A251 V254 I258 T269 F270A251-F266 HydrophobicContact CB-CE2 4.26Å; A251-F266 HydrophobicContact CB-CZ 4.08Å; V254-F266 HydrophobicContact CB-CD2 4.17Å; V254-F266 HydrophobicContact CB-CE2 3.78Å; V254-F266 HydrophobicContact CB-CZ 4.16Å; V254-F266 HydrophobicContact CG1-CD1 4.38Å; V254-F266 HydrophobicContact CG1-CD2 3.43Å; V254-F266 VanDerWaalsContact CG1-CD2 3.43Å; V254-F266 HydrophobicContact CG1-CE1 4.49Å; V254-F266 HydrophobicContact CG1-CE2 3.58Å; V254-F266 HydrophobicContact CG1-CG 3.87Å; V254-F266 HydrophobicContact CG1-CZ 4.12Å; I258-F266 HydrophobicContact CD1-CB 4.45Å; F266-T269 PolarHBondContact O-N 3.48Å; F266-F270 VanDerWaalsContact O-CB 3.22Å; F266-F270 WeakPolarHBondContact O-CB 3.13Å; F266-F270 PolarHBondContact O-N 3.32Å
267L89.3Confident82.9Confident130 Ų13071.6 Ų71.668%0.68141%0.409SS*.Hα-helixtrans-67.6-40-178.2-65.5175000112.4S265 A271S265-L267 VanDerWaalsContact C-N 3.26Å; S265-L267 PolarHBondContact O-N 2.72Å; L267-A271 VanDerWaalsContact O-CB 3.32Å; L267-A271 WeakPolarHBondContact O-CB 3.17Å; L267-A271 PolarHBondContact O-N 3.45Å
268T89.8Confident83.5Confident86 Ų8671.5 Ų71.553%0.52842%0.417SS..Hα-helixtrans-69-39.6179.455.70000111.5S265 S272S265-T268 WeakPolarHBondContact CB-OG1 3.19Å; S265-T268 PolarHBondContact N-OG1 3.22Å; S265-T268 PolarHBondContact O-N 2.63Å; S265-T268 PolarHBondContact O-OG1 3.4Å; T268-S272 WeakPolarHBondContact O-CB 3.46Å; T268-S272 PolarHBondContact O-N 3.24Å
269T86.1Confident84Confident5 Ų575.5 Ų75.53%0.03144%0.437CS..Hα-helixtrans-74.1-36.9178.4-56.90000111.4V254 K257 I258 S265 F266 S272 V273V254-T269 HydrophobicContact CG1-CG2 4.06Å; K257-T269 HydrophobicContact CB-CG2 3.79Å; K257-T269 HydrophobicContact CD-CG2 4.35Å; I258-T269 HydrophobicContact CG1-CG2 4.06Å; S265-T269 PolarHBondContact O-N 2.77Å; S265-T269 PolarHBondContact O-OG1 3.19Å; F266-T269 PolarHBondContact O-N 3.48Å; T269-S272 WeakPolarHBondContact CA-OG 3.2Å; T269-S272 PolarHBondContact O-N 3.46Å; T269-S272 PolarHBondContact O-OG 2.81Å; T269-V273 VanDerWaalsContact O-CG2 3.26Å; T269-V273 WeakPolarHBondContact O-CG2 3.29Å; T269-V273 PolarHBondContact O-N 3.49Å
270F90.1Very high84.8Confident78 Ų7875.4 Ų75.434%0.34245%0.45SS..Hα-helixtrans-58.8-50.6171.1-178.7-87.8000110.9P250 V254 F266 S272 V273 V274 L282P250-F270 HydrophobicContact CB-CE2 4.5Å; V254-F270 HydrophobicContact CG2-CB 3.93Å; V254-F270 HydrophobicContact CG2-CD2 3.96Å; V254-F270 HydrophobicContact CG2-CG 4.42Å; F266-F270 VanDerWaalsContact O-CB 3.22Å; F266-F270 WeakPolarHBondContact O-CB 3.13Å; F266-F270 PolarHBondContact O-N 3.32Å; F270-S272 VanDerWaalsContact C-N 3.32Å; F270-S272 PolarHBondContact O-N 3.3Å; F270-V273 PolarHBondContact O-N 2.89Å; F270-V274 HydrophobicContact CD1-CG2 4.28Å; F270-V274 HydrophobicContact CE1-CG2 3.9Å; F270-V274 HydrophobicContact CZ-CG2 4.14Å; F270-V274 WeakPolarHBondContact O-CG2 3.25Å; F270-V274 PolarHBondContact O-N 2.8Å; F270-L282 HydrophobicContact CD2-CD1 4.41Å; F270-L282 HydrophobicContact CD2-CD2 3.93Å; F270-L282 HydrophobicContact CE2-CD1 3.57Å; F270-L282 HydrophobicContact CE2-CD2 3.89Å; F270-L282 HydrophobicContact CE2-CG 4.41Å; F270-L282 HydrophobicContact CZ-CD1 3.75Å
271A92.9Very high85.5Confident55 Ų5573.1 Ų73.146%0.45544%0.439SS..Hα-helixtrans-61.7-38.5177.500000112.3L267 R275L267-A271 VanDerWaalsContact O-CB 3.32Å; L267-A271 WeakPolarHBondContact O-CB 3.17Å; L267-A271 PolarHBondContact O-N 3.45Å; A271-R275 VanDerWaalsContact O-CB 3.24Å; A271-R275 WeakPolarHBondContact O-CB 3.26Å; A271-R275 PolarHBondContact O-N 3.31Å
272S90.4Very high86.2Confident23 Ų2367.9 Ų67.916%0.16142%0.415CS..Hα-helixtrans-65.6-41.5177.274.40000112.2T268 T269 F270 R275 E276T268-S272 WeakPolarHBondContact O-CB 3.46Å; T268-S272 PolarHBondContact O-N 3.24Å; T269-S272 WeakPolarHBondContact CA-OG 3.2Å; T269-S272 PolarHBondContact O-N 3.46Å; T269-S272 PolarHBondContact O-OG 2.81Å; F270-S272 VanDerWaalsContact C-N 3.32Å; F270-S272 PolarHBondContact O-N 3.3Å; S272-R275 PolarHBondContact O-N 3.13Å; S272-E276 WeakPolarHBondContact O-CB 3.3Å; S272-E276 VanDerWaalsContact O-CG 3.27Å; S272-E276 WeakPolarHBondContact O-CG 3.41Å; S272-E276 PolarHBondContact O-N 2.82Å
273V88Confident87.2Confident2 Ų268.7 Ų68.71%0.01240%0.397CS..Hα-helixtrans-63.7-45.9177.1174.60000111.6K257 T269 F270 R275 E276 S277 L282K257-V273 HydrophobicContact CD-CG2 3.32Å; T269-V273 VanDerWaalsContact O-CG2 3.26Å; T269-V273 WeakPolarHBondContact O-CG2 3.29Å; T269-V273 PolarHBondContact O-N 3.49Å; F270-V273 PolarHBondContact O-N 2.89Å; V273-R275 VanDerWaalsContact C-N 3.28Å; V273-R275 PolarHBondContact O-N 3.11Å; V273-E276 PolarHBondContact O-N 3.27Å; V273-S277 PolarHBondContact O-N 3.2Å; V273-L282 HydrophobicContact CB-CD2 4.16Å; V273-L282 HydrophobicContact CG1-CD2 3.71Å; V273-L282 HydrophobicContact CG1-CG 4.15Å
274V93.1Very high87.7Confident52 Ų5267.4 Ų67.432%0.31539%0.387SS..Hα-helixtrans-63.9-37.5178174.90000110.9F270 G278 L282F270-V274 HydrophobicContact CD1-CG2 4.28Å; F270-V274 HydrophobicContact CE1-CG2 3.9Å; F270-V274 HydrophobicContact CZ-CG2 4.14Å; F270-V274 WeakPolarHBondContact O-CG2 3.25Å; F270-V274 PolarHBondContact O-N 2.8Å; V274-G278 WeakPolarHBondContact O-CA 3.4Å; V274-G278 PolarHBondContact O-N 3.34Å; V274-L282 HydrophobicContact CG2-CD1 3.71Å; V274-L282 HydrophobicContact CG2-CD2 4.44Å; V274-L282 HydrophobicContact CG2-CG 4.16Å
275R92.9Very high88Confident203 Ų20365.4 Ų65.477%0.76637%0.367SS*.Hα-helixtrans-70.6-39.3177.6-174.4178.463.3-174.6-0.7113.2A271 S272 V273A271-R275 VanDerWaalsContact O-CB 3.24Å; A271-R275 WeakPolarHBondContact O-CB 3.26Å; A271-R275 PolarHBondContact O-N 3.31Å; S272-R275 PolarHBondContact O-N 3.13Å; V273-R275 VanDerWaalsContact C-N 3.28Å; V273-R275 PolarHBondContact O-N 3.11Å
276E89.3Confident87.9Confident117 Ų11763.7 Ų63.755%0.54735%0.353SS..Hα-helixtrans-81.3-41.6-176.1-73.5168.2-162.700113.2S272 V273S272-E276 WeakPolarHBondContact O-CB 3.3Å; S272-E276 VanDerWaalsContact O-CG 3.27Å; S272-E276 WeakPolarHBondContact O-CG 3.41Å; S272-E276 PolarHBondContact O-N 2.82Å; V273-E276 PolarHBondContact O-N 3.27Å
277S86Confident87.9Confident73 Ų7362.6 Ų62.651%0.5136%0.36SS..Hα-helixtrans-125.21.5-169.5-62.20000113.5V273 G281V273-S277 PolarHBondContact O-N 3.2Å; S277-G281 PolarHBondContact O-N 3.47Å
278G88.4Confident87.6Confident29 Ų2957.6 Ų57.630%0.29934%0.336SS..Hα-helixtrans67.4-172.1-17300000113.3V274 A280 G281V274-G278 WeakPolarHBondContact O-CA 3.4Å; V274-G278 PolarHBondContact O-N 3.34Å; G278-A280 PolarHBondContact O-N 2.93Å; G278-G281 PolarHBondContact O-N 2.75Å; G278-G281 VanDerWaalsContact O-N 3.08Å
279I89.6Confident87.3Confident118 Ų11853.5 Ų53.561%0.60531%0.311SS*.Hα-helixtrans-61-34.2176.8-61.5171.8000111G281 L282 Y283I279-G281 PolarHBondContact O-N 2.81Å; I279-L282 WeakPolarHBondContact O-CB 3.29Å; I279-L282 PolarHBondContact O-N 2.9Å; I279-Y283 HydrophobicContact CG2-CD2 4.47Å; I279-Y283 HydrophobicContact CG2-CE2 4.16Å; I279-Y283 WeakPolarHBondContact O-CD2 3.48Å
280A86.8Confident87.3Confident80 Ų8055.9 Ų55.966%0.66132%0.323SS*.Hα-helixtrans-59.5-30.8176.400000112.8G278 L282 Y283 C284G278-A280 PolarHBondContact O-N 2.93Å; A280-L282 VanDerWaalsContact C-N 3.26Å; A280-L282 PolarHBondContact O-N 3.46Å; A280-Y283 CarbonylContact O-C 3.59Å; A280-Y283 PolarHBondContact O-N 3.32Å; A280-C284 PolarHBondContact O-N 3.13Å
281G84.7Confident87.1Confident11 Ų1155.3 Ų55.311%0.11333%0.325CS..Hα-helixtrans-61.2-32.3174.500000113.8S277 G278 I279 Y283 C284S277-G281 PolarHBondContact O-N 3.47Å; G278-G281 PolarHBondContact O-N 2.75Å; G278-G281 VanDerWaalsContact O-N 3.08Å; I279-G281 PolarHBondContact O-N 2.81Å; G281-Y283 PolarHBondContact O-N 3.4Å; G281-C284 WeakPolarHBondContact O-CB 3.33Å; G281-C284 PolarHBondContact O-N 2.84Å
282L86.7Confident86.7Confident7 Ų754.6 Ų54.64%0.03731%0.311CS..THydrogen-bonded Turntrans-69.7-12.3175.7-64.1171.8000112.9F249 P250 V253 V254 F270 V273 V274 I279 A280F249-L282 WeakPolarHBondContact CD1-O 3.39Å; P250-L282 HydrophobicContact CB-CB 4.05Å; P250-L282 HydrophobicContact CB-CD1 4.31Å; P250-L282 HydrophobicContact CB-CD2 4.33Å; P250-L282 HydrophobicContact CB-CG 4.48Å; P250-L282 HydrophobicContact CG-CB 4.28Å; V253-L282 WeakPolarHBondContact CG2-O 3.43Å; V254-L282 HydrophobicContact CG2-CD2 4.28Å; F270-L282 HydrophobicContact CD2-CD1 4.41Å; F270-L282 HydrophobicContact CD2-CD2 3.93Å; F270-L282 HydrophobicContact CE2-CD1 3.57Å; F270-L282 HydrophobicContact CE2-CD2 3.89Å; F270-L282 HydrophobicContact CE2-CG 4.41Å; F270-L282 HydrophobicContact CZ-CD1 3.75Å; V273-L282 HydrophobicContact CB-CD2 4.16Å; V273-L282 HydrophobicContact CG1-CD2 3.71Å; V273-L282 HydrophobicContact CG1-CG 4.15Å; V274-L282 HydrophobicContact CG2-CD1 3.71Å; V274-L282 HydrophobicContact CG2-CD2 4.44Å; V274-L282 HydrophobicContact CG2-CG 4.16Å; I279-L282 WeakPolarHBondContact O-CB 3.29Å; I279-L282 PolarHBondContact O-N 2.9Å; A280-L282 VanDerWaalsContact C-N 3.26Å; A280-L282 PolarHBondContact O-N 3.46Å
283Y88.9Confident86.4Confident85 Ų8554.1 Ų54.133%0.33331%0.307SS..THydrogen-bonded Turntrans-114.812.7179.2-65.9-80.1000113T246 F249 P250 I279 A280 G281 G285 L286T246-Y283 HydrophobicContact CG2-CE1 4.31Å; T246-Y283 WeakPolarHBondContact O-CE1 3.38Å; F249-Y283 HydrophobicContact CB-CD1 3.93Å; F249-Y283 HydrophobicContact CB-CE1 4.11Å; F249-Y283 HydrophobicContact CD1-CD1 4.39Å; F249-Y283 HydrophobicContact CG-CD1 4.41Å; P250-Y283 HydrophobicContact CG-CE1 4.07Å; P250-Y283 HydrophobicContact CG-CE2 4.24Å; I279-Y283 HydrophobicContact CG2-CD2 4.47Å; I279-Y283 HydrophobicContact CG2-CE2 4.16Å; I279-Y283 WeakPolarHBondContact O-CD2 3.48Å; A280-Y283 CarbonylContact O-C 3.59Å; A280-Y283 PolarHBondContact O-N 3.32Å; G281-Y283 PolarHBondContact O-N 3.4Å; Y283-G285 PolarHBondContact O-N 3.15Å; Y283-G285 VanDerWaalsContact O-N 3.1Å; Y283-L286 HydrophobicContact CD1-CD2 3.89Å; Y283-L286 VanDerWaalsContact O-CB 3.3Å; Y283-L286 WeakPolarHBondContact O-CB 3.35Å; Y283-L286 PolarHBondContact O-N 3.23Å
284C82.2Confident86.2Confident56 Ų5661 Ų6138%0.37834%0.337SS..THydrogen-bonded Turntrans-64.9111.1177.4-174.40000111F249 A280 G281F249-C284 VanDerWaalsContact CE1-O 3.29Å; F249-C284 WeakPolarHBondContact CE1-O 3.39Å; A280-C284 PolarHBondContact O-N 3.13Å; G281-C284 WeakPolarHBondContact O-CB 3.33Å; G281-C284 PolarHBondContact O-N 2.84Å
285G81Confident85.9Confident8 Ų863.8 Ų63.88%0.08235%0.345CS..THydrogen-bonded Turntrans101.61.6-17400000114.5F249 Y283 P288 T289F249-G285 WeakPolarHBondContact CZ-O 3.44Å; Y283-G285 PolarHBondContact O-N 3.15Å; Y283-G285 VanDerWaalsContact O-N 3.1Å; G285-P288 VanDerWaalsContact O-CD 3.25Å; G285-P288 WeakPolarHBondContact O-CD 3.38Å; G285-P288 VanDerWaalsContact O-CG 3.23Å; G285-P288 WeakPolarHBondContact O-CG 3.39Å; G285-T289 PolarHBondContact O-N 3.02Å; G285-T289 PolarHBondContact O-OG1 3.19Å
286L85.5Confident85.5Confident28 Ų2854.7 Ų54.715%0.14731%0.313CS..Hα-helixtrans-62.9-44.3175.6179.766000111W245 F249 Y283 T289 I290W245-L286 HydrophobicContact CB-CD1 4.35Å; F249-L286 HydrophobicContact CB-CD1 4.47Å; F249-L286 HydrophobicContact CD1-CB 4.28Å; F249-L286 HydrophobicContact CD2-CB 4.28Å; F249-L286 HydrophobicContact CD2-CD1 3.63Å; F249-L286 HydrophobicContact CE1-CB 4.23Å; F249-L286 HydrophobicContact CE2-CB 4.24Å; F249-L286 HydrophobicContact CE2-CD1 4.13Å; F249-L286 HydrophobicContact CG-CB 4.3Å; F249-L286 HydrophobicContact CG-CD1 4.03Å; F249-L286 HydrophobicContact CZ-CB 4.23Å; Y283-L286 HydrophobicContact CD1-CD2 3.89Å; Y283-L286 VanDerWaalsContact O-CB 3.3Å; Y283-L286 WeakPolarHBondContact O-CB 3.35Å; Y283-L286 PolarHBondContact O-N 3.23Å; L286-T289 CarbonylContact O-C 3.56Å; L286-T289 WeakPolarHBondContact O-CA 3.4Å; L286-T289 VanDerWaalsContact O-CB 3.3Å; L286-T289 WeakPolarHBondContact O-CB 3.3Å; L286-T289 PolarHBondContact O-N 2.9Å; L286-I290 HydrophobicContact CD1-CD1 4.09Å; L286-I290 HydrophobicContact CD1-CG1 4.13Å; L286-I290 HydrophobicContact CD2-CD1 4.12Å; L286-I290 HydrophobicContact CG-CD1 3.76Å; L286-I290 HydrophobicContact CG-CG1 4.2Å; L286-I290 PolarHBondContact O-N 2.87Å
287A84.4Confident85.2Confident68 Ų6850.8 Ų50.856%0.56230%0.299SS*.Hα-helixtrans-54.6-54.6178.900000113.6T289 I290 V291A287-T289 PolarHBondContact O-N 2.84Å; A287-I290 PolarHBondContact O-N 2.81Å; A287-V291 VanDerWaalsContact O-CG2 3.3Å; A287-V291 WeakPolarHBondContact O-CG2 3.24Å; A287-V291 PolarHBondContact O-N 2.71Å
288P82.3Confident85.1Confident25 Ų2549.6 Ų49.616%0.16229%0.294CS..Hα-helixtrans-61.9-28.1175.921.5-31.1000112.7G285 R292G285-P288 VanDerWaalsContact O-CD 3.25Å; G285-P288 WeakPolarHBondContact O-CD 3.38Å; G285-P288 VanDerWaalsContact O-CG 3.23Å; G285-P288 WeakPolarHBondContact O-CG 3.39Å; P288-R292 WeakPolarHBondContact O-CB 3.33Å; P288-R292 PolarHBondContact O-N 3.12Å
289T84.1Confident85.1Confident1 Ų149.2 Ų49.21%0.00629%0.287CS..Hα-helixtrans-70.1-43.1175.8-54.20000112.2W245 F249 G285 L286 A287 R292 T293W245-T289 HydrophobicContact CB-CG2 4.1Å; W245-T289 HydrophobicContact CD2-CG2 3.43Å; W245-T289 VanDerWaalsContact CD2-CG2 3.43Å; W245-T289 HydrophobicContact CE3-CG2 3.82Å; W245-T289 HydrophobicContact CG-CG2 3.54Å; F249-T289 HydrophobicContact CE2-CG2 4.3Å; F249-T289 WeakPolarHBondContact CE2-OG1 3.33Å; G285-T289 PolarHBondContact O-N 3.02Å; G285-T289 PolarHBondContact O-OG1 3.19Å; L286-T289 CarbonylContact O-C 3.56Å; L286-T289 WeakPolarHBondContact O-CA 3.4Å; L286-T289 VanDerWaalsContact O-CB 3.3Å; L286-T289 WeakPolarHBondContact O-CB 3.3Å; L286-T289 PolarHBondContact O-N 2.9Å; A287-T289 PolarHBondContact O-N 2.84Å; T289-R292 WeakPolarHBondContact O-CB 3.46Å; T289-R292 PolarHBondContact O-N 2.95Å; T289-T293 PolarHBondContact O-N 3.16Å; T289-T293 PolarHBondContact O-OG1 2.93Å; T289-T293 VanDerWaalsContact O-OG1 3.04Å
290I86.9Confident85.1Confident55 Ų5546.2 Ų46.228%0.28227%0.272SS..Hα-helixtrans-64.8-47.8175.9-69.2172.7000110.4I242 L286 A287 R292 T293 F294I242-I290 HydrophobicContact CD1-CG2 4.42Å; I242-I290 HydrophobicContact CG1-CG2 4.29Å; L286-I290 HydrophobicContact CD1-CD1 4.09Å; L286-I290 HydrophobicContact CD1-CG1 4.13Å; L286-I290 HydrophobicContact CD2-CD1 4.12Å; L286-I290 HydrophobicContact CG-CD1 3.76Å; L286-I290 HydrophobicContact CG-CG1 4.2Å; L286-I290 PolarHBondContact O-N 2.87Å; A287-I290 PolarHBondContact O-N 2.81Å; I290-R292 PolarHBondContact O-N 3.43Å; I290-T293 WeakPolarHBondContact O-CB 3.48Å; I290-T293 PolarHBondContact O-N 3.25Å; I290-T293 VanDerWaalsContact O-N 3.1Å; I290-F294 PolarHBondContact O-N 3.44Å; I290-F294 VanDerWaalsContact O-N 3.08Å
291V86Confident84.9Confident66 Ų6645.4 Ų45.440%0.425%0.254SS..Hα-helixtrans-57.2-43.2177.2172.60000110.3L49 A287 F294 F295L49-V291 HydrophobicContact CD1-CG1 3.98Å; A287-V291 VanDerWaalsContact O-CG2 3.3Å; A287-V291 WeakPolarHBondContact O-CG2 3.24Å; A287-V291 PolarHBondContact O-N 2.71Å; V291-F294 PolarHBondContact O-N 3.41Å; V291-F295 HydrophobicContact CG1-CD2 3.6Å; V291-F295 HydrophobicContact CG1-CE2 3.4Å; V291-F295 WeakPolarHBondContact O-CD2 3.33Å; V291-F295 PolarHBondContact O-N 2.88Å; V291-F295 VanDerWaalsContact O-N 3.07Å
292R84.6Confident85Confident39 Ų3951.1 Ų51.115%0.14728%0.281CS..Hα-helixtrans-60.3-46.3174.9-176.7-158.971.19913.8112.5L49 D50 P288 T289 I290 F294 F295 A296L49-R292 HydrophobicContact CB-CB 3.71Å; L49-R292 HydrophobicContact CB-CG 3.88Å; L49-R292 VanDerWaalsContact CD1-CA 3.47Å; L49-R292 HydrophobicContact CD1-CB 3.7Å; L49-R292 HydrophobicContact CD1-CG 4.31Å; L49-R292 HydrophobicContact CG-CB 4.36Å; D50-R292 WeakPolarHBondContact OD1-CD 3.45Å; D50-R292 IonicContact OD1-CZ 2.93Å; D50-R292 IonicContact OD1-NE 3.6Å; D50-R292 PolarHBondContact OD1-NE 2.92Å; D50-R292 IonicContact OD1-NH1 3.96Å; D50-R292 PolarHBondContact OD1-NH1 3.37Å; D50-R292 WeakPolarHBondContact OD2-CD 3.39Å; D50-R292 IonicContact OD2-CZ 3.9Å; D50-R292 IonicContact OD2-NH1 3.99Å; D50-R292 PolarHBondContact OD2-NH1 2.98Å; D50-R292 VanDerWaalsContact OD2-NH1 3.11Å; P288-R292 WeakPolarHBondContact O-CB 3.33Å; P288-R292 PolarHBondContact O-N 3.12Å; T289-R292 WeakPolarHBondContact O-CB 3.46Å; T289-R292 PolarHBondContact O-N 2.95Å; I290-R292 PolarHBondContact O-N 3.43Å; R292-F294 VanDerWaalsContact C-N 3.27Å; R292-F294 PolarHBondContact O-N 3.46Å; R292-F295 PolarHBondContact O-N 3.38Å; R292-A296 VanDerWaalsContact O-CB 3.23Å; R292-A296 WeakPolarHBondContact O-CB 3.37Å; R292-A296 PolarHBondContact O-N 3.23Å
293T83.8Confident85.1Confident13 Ų1351.8 Ų51.88%0.0829%0.288CS..Hα-helixtrans-56.4-45.4178.5-60.50000110.4W245 T289 I290 A296 S297W245-T293 PolarHBondContact NE1-OG1 3.16Å; T289-T293 PolarHBondContact O-N 3.16Å; T289-T293 PolarHBondContact O-OG1 2.93Å; T289-T293 VanDerWaalsContact O-OG1 3.04Å; I290-T293 WeakPolarHBondContact O-CB 3.48Å; I290-T293 PolarHBondContact O-N 3.25Å; I290-T293 VanDerWaalsContact O-N 3.1Å; T293-A296 PolarHBondContact O-N 2.96Å; T293-S297 WeakPolarHBondContact O-CB 3.46Å; T293-S297 PolarHBondContact O-N 2.97Å; T293-S297 PolarHBondContact O-OG 2.77Å
294F83.7Confident85Confident147 Ų14750.6 Ų50.665%0.64528%0.283SS*.Hα-helixtrans-59.9-50.1176.4-177.8-95000112.7I290 V291 R292 S297 A298I290-F294 PolarHBondContact O-N 3.44Å; I290-F294 VanDerWaalsContact O-N 3.08Å; V291-F294 PolarHBondContact O-N 3.41Å; R292-F294 VanDerWaalsContact C-N 3.27Å; R292-F294 PolarHBondContact O-N 3.46Å; F294-S297 PolarHBondContact O-N 3.48Å; F294-A298 WeakPolarHBondContact O-CB 3.27Å; F294-A298 PolarHBondContact O-N 3.07Å
295F85.3Confident85.2Confident111 Ų11152.2 Ų52.249%0.48729%0.285SS..Hα-helixtrans-66.4-39.5-179.9-77.6-66000113.4L49 V291 R292 A298 A299L49-F295 HydrophobicContact CD1-CD2 4.17Å; V291-F295 HydrophobicContact CG1-CD2 3.6Å; V291-F295 HydrophobicContact CG1-CE2 3.4Å; V291-F295 WeakPolarHBondContact O-CD2 3.33Å; V291-F295 PolarHBondContact O-N 2.88Å; V291-F295 VanDerWaalsContact O-N 3.07Å; R292-F295 PolarHBondContact O-N 3.38Å; F295-A298 PolarHBondContact O-N 2.96Å; F295-A299 WeakPolarHBondContact O-CB 3.32Å; F295-A299 PolarHBondContact O-N 3.22Å
296A85.9Confident85.6Confident11 Ų1154.6 Ų54.69%0.09130%0.304CS..Hα-helixtrans-64.1-44.9176.800000110.7A42 R292 T293 A299 L300A42-A296 WeakPolarHBondContact CA-O 3.32Å; A42-A296 HydrophobicContact CB-CB 4.27Å; A42-A296 WeakPolarHBondContact CB-O 3.31Å; A42-A296 WeakPolarHBondContact O-CB 3.46Å; R292-A296 VanDerWaalsContact O-CB 3.23Å; R292-A296 WeakPolarHBondContact O-CB 3.37Å; R292-A296 PolarHBondContact O-N 3.23Å; T293-A296 PolarHBondContact O-N 2.96Å; A296-A299 PolarHBondContact O-N 2.76Å; A296-L300 WeakPolarHBondContact O-CB 3.4Å; A296-L300 PolarHBondContact O-N 3.33Å
297S82.7Confident85.8Confident36 Ų3655.2 Ų55.225%0.25231%0.309SS..Hα-helixtrans-62.9-45.6174.4-65.30000111.8T293 F294 A299 L300 F301T293-S297 WeakPolarHBondContact O-CB 3.46Å; T293-S297 PolarHBondContact O-N 2.97Å; T293-S297 PolarHBondContact O-OG 2.77Å; F294-S297 PolarHBondContact O-N 3.48Å; S297-A299 VanDerWaalsContact C-N 3.34Å; S297-A299 PolarHBondContact O-N 3.06Å; S297-L300 VanDerWaalsContact O-CB 3.32Å; S297-L300 WeakPolarHBondContact O-CB 3.48Å; S297-L300 PolarHBondContact O-N 2.98Å; S297-F301 WeakPolarHBondContact O-CD2 3.45Å; S297-F301 PolarHBondContact O-N 3.36Å
298A84Confident86Confident48 Ų4853.5 Ų53.540%0.39729%0.289SS..Hα-helixtrans-59.8-44.1177.900000112.1F294 F295 L300 F301 L302F294-A298 WeakPolarHBondContact O-CB 3.27Å; F294-A298 PolarHBondContact O-N 3.07Å; F295-A298 PolarHBondContact O-N 2.96Å; A298-L300 VanDerWaalsContact C-N 3.34Å; A298-L300 PolarHBondContact O-N 3.36Å; A298-F301 PolarHBondContact O-N 2.98Å; A298-L302 WeakPolarHBondContact O-CB 3.28Å; A298-L302 PolarHBondContact O-N 3.13Å
299A88.5Confident86.3Confident20 Ų2060.3 Ų60.317%0.16531%0.312CS..Hα-helixtrans-65.1-37.4176.300000112.4A41 A45 F295 A296 S297 A303A41-A299 HydrophobicContact CB-CB 4.28Å; A41-A299 WeakPolarHBondContact CB-O 3.33Å; A45-A299 HydrophobicContact CB-CB 3.37Å; F295-A299 WeakPolarHBondContact O-CB 3.32Å; F295-A299 PolarHBondContact O-N 3.22Å; A296-A299 PolarHBondContact O-N 2.76Å; S297-A299 VanDerWaalsContact C-N 3.34Å; S297-A299 PolarHBondContact O-N 3.06Å; A299-A303 VanDerWaalsContact O-CB 3.28Å; A299-A303 WeakPolarHBondContact O-CB 2.93Å; A299-A303 PolarHBondContact O-N 3.47Å
300L88.2Confident86.7Confident56 Ų5667.3 Ų67.329%0.29334%0.342SS..Hα-helixtrans-56.8-54.4174.2-171.1150.8000110.9G38 A42 A296 S297 A298 A303 Y304G38-L300 WeakPolarHBondContact CA-O 3.41Å; G38-L300 WeakPolarHBondContact O-CA 3.5Å; A42-L300 HydrophobicContact CB-CB 4Å; A42-L300 HydrophobicContact CB-CD1 4.22Å; A296-L300 WeakPolarHBondContact O-CB 3.4Å; A296-L300 PolarHBondContact O-N 3.33Å; S297-L300 VanDerWaalsContact O-CB 3.32Å; S297-L300 WeakPolarHBondContact O-CB 3.48Å; S297-L300 PolarHBondContact O-N 2.98Å; A298-L300 VanDerWaalsContact C-N 3.34Å; A298-L300 PolarHBondContact O-N 3.36Å; L300-A303 PolarHBondContact O-N 2.93Å; L300-Y304 VanDerWaalsContact O-CB 3.28Å; L300-Y304 WeakPolarHBondContact O-CB 2.97Å; L300-Y304 PolarHBondContact O-N 3.4Å
301F83.4Confident86.8Confident63 Ų6366.4 Ų66.428%0.27634%0.338SS..Hα-helixtrans-67.8-42.8-176-73-65.3000112.4C234 S297 A298 A303 Y304 E305C234-F301 HydrophobicContact CB-CD2 3.85Å; C234-F301 HydrophobicContact CB-CE1 4.2Å; C234-F301 HydrophobicContact CB-CE2 3.32Å; C234-F301 HydrophobicContact CB-CZ 3.54Å; C234-F301 WeakPolarHBondContact SG-CD1 3.44Å; C234-F301 WeakPolarHBondContact SG-CD2 3.43Å; C234-F301 WeakPolarHBondContact SG-CE1 3.44Å; C234-F301 WeakPolarHBondContact SG-CE2 3.34Å; C234-F301 VanDerWaalsContact SG-CG 3.53Å; C234-F301 WeakPolarHBondContact SG-CZ 3.29Å; S297-F301 WeakPolarHBondContact O-CD2 3.45Å; S297-F301 PolarHBondContact O-N 3.36Å; A298-F301 PolarHBondContact O-N 2.98Å; F301-A303 VanDerWaalsContact C-N 3.3Å; F301-A303 PolarHBondContact O-N 3.22Å; F301-Y304 PolarHBondContact O-N 2.94Å; F301-E305 WeakPolarHBondContact O-CB 3.48Å; F301-E305 WeakPolarHBondContact O-CG 3.3Å; F301-E305 PolarHBondContact O-N 3.28Å
302L87.3Confident87Confident131 Ų13168.3 Ų68.369%0.68634%0.338SS*.Hα-helixtrans-57.5-45.7176.2-172.180.4000111.4A298 A306A298-L302 WeakPolarHBondContact O-CB 3.28Å; A298-L302 PolarHBondContact O-N 3.13Å; L302-A306 WeakPolarHBondContact O-CB 3.25Å; L302-A306 PolarHBondContact O-N 3.43Å
303A89.4Confident87.2Confident21 Ų2170.9 Ų70.917%0.17436%0.357CS..Hα-helixtrans-70.5-41.7179.400000112.1A41 A299 L300 F301 V307A41-A303 HydrophobicContact CB-CB 3.47Å; A41-A303 VanDerWaalsContact CB-CB 3.47Å; A299-A303 VanDerWaalsContact O-CB 3.28Å; A299-A303 WeakPolarHBondContact O-CB 2.93Å; A299-A303 PolarHBondContact O-N 3.47Å; L300-A303 PolarHBondContact O-N 2.93Å; F301-A303 VanDerWaalsContact C-N 3.3Å; F301-A303 PolarHBondContact O-N 3.22Å; A303-V307 WeakPolarHBondContact O-CB 3.46Å; A303-V307 VanDerWaalsContact O-CG2 3.26Å; A303-V307 WeakPolarHBondContact O-CG2 3.18Å; A303-V307 PolarHBondContact O-N 3.33Å
304Y86.8Confident87.3Confident60 Ų6076.2 Ų76.224%0.23538%0.383CS..Hα-helixtrans-57-56.4175175.6-91000110.8D31 A34 L300 F301 A306 V307 Q308D31-Y304 PolarHBondContact OD1-OH 3.4Å; D31-Y304 VanDerWaalsContact OD1-OH 3.14Å; A34-Y304 HydrophobicContact CB-CD2 3.53Å; A34-Y304 HydrophobicContact CB-CE2 3.69Å; A34-Y304 HydrophobicContact CB-CG 4.18Å; L300-Y304 VanDerWaalsContact O-CB 3.28Å; L300-Y304 WeakPolarHBondContact O-CB 2.97Å; L300-Y304 PolarHBondContact O-N 3.4Å; F301-Y304 PolarHBondContact O-N 2.94Å; Y304-A306 PolarHBondContact O-N 3.38Å; Y304-V307 PolarHBondContact O-N 3.34Å; Y304-Q308 WeakPolarHBondContact O-CB 3.44Å; Y304-Q308 PolarHBondContact O-N 2.95Å; Y304-Q308 PolarHBondContact OH-NE2 3.28Å
305E84.7Confident87.4Confident89 Ų8970 Ų7042%0.41636%0.357SS..Hα-helixtrans-63.2-41.5-177.7-71.6-175.7-170.500112.2F301 R309F301-E305 WeakPolarHBondContact O-CB 3.48Å; F301-E305 WeakPolarHBondContact O-CG 3.3Å; F301-E305 PolarHBondContact O-N 3.28Å; E305-R309 WeakPolarHBondContact O-CB 3.5Å; E305-R309 PolarHBondContact O-N 3.39Å
306A90Very high87.3Confident59 Ų5968.2 Ų68.249%0.48835%0.352SS..Hα-helixtrans-63.8-44179.300000111.9L302 Y304 K310L302-A306 WeakPolarHBondContact O-CB 3.25Å; L302-A306 PolarHBondContact O-N 3.43Å; Y304-A306 PolarHBondContact O-N 3.38Å; A306-K310 VanDerWaalsContact O-CB 3.28Å; A306-K310 WeakPolarHBondContact O-CB 3.48Å; A306-K310 PolarHBondContact O-N 2.8Å; A306-K310 VanDerWaalsContact O-N 3.14Å
307V89.7Confident87Confident41 Ų4170.7 Ų70.725%0.24837%0.367CS..Hα-helixtrans-71.8-46.5179.3172.30000110.8I33 A34 A37 A303 Y304 R309 K310 L311I33-V307 HydrophobicContact CG2-CG1 3.99Å; A34-V307 HydrophobicContact CB-CB 4.29Å; A34-V307 HydrophobicContact CB-CG1 4.15Å; A37-V307 HydrophobicContact CB-CB 4.34Å; A37-V307 HydrophobicContact CB-CG1 4.45Å; A37-V307 HydrophobicContact CB-CG2 3.76Å; A303-V307 WeakPolarHBondContact O-CB 3.46Å; A303-V307 VanDerWaalsContact O-CG2 3.26Å; A303-V307 WeakPolarHBondContact O-CG2 3.18Å; A303-V307 PolarHBondContact O-N 3.33Å; Y304-V307 PolarHBondContact O-N 3.34Å; V307-R309 PolarHBondContact O-N 3.47Å; V307-K310 PolarHBondContact O-N 2.93Å; V307-L311 HydrophobicContact CG1-CD1 3.74Å; V307-L311 HydrophobicContact CG1-CG 4.24Å; V307-L311 WeakPolarHBondContact O-CB 3.36Å; V307-L311 WeakPolarHBondContact O-CG 3.26Å; V307-L311 PolarHBondContact O-N 3.27Å
308Q88.3Confident86.7Confident31 Ų3173 Ų7315%0.14538%0.376CS..Hα-helixtrans-57.6-50.3177.9-170.1-17038.300110.9I30 D31 A34 Y304 K310 L311 R312I30-Q308 HydrophobicContact CG2-CB 4.45Å; I30-Q308 HydrophobicContact CG2-CG 3.86Å; D31-Q308 PolarHBondContact OD1-NE2 2.82Å; A34-Q308 HydrophobicContact CB-CB 3.83Å; Y304-Q308 WeakPolarHBondContact O-CB 3.44Å; Y304-Q308 PolarHBondContact O-N 2.95Å; Y304-Q308 PolarHBondContact OH-NE2 3.28Å; Q308-K310 PolarHBondContact O-N 2.84Å; Q308-L311 PolarHBondContact O-N 3.45Å; Q308-R312 WeakPolarHBondContact O-CB 3.4Å; Q308-R312 WeakPolarHBondContact O-CG 3.43Å; Q308-R312 PolarHBondContact O-N 3.33Å
309R88.7Confident86.3Confident168 Ų16872.7 Ų72.763%0.63437%0.365SS*.Hα-helixtrans-59.7-45.6178.6-174.2-179.3-62.81704.3111.5E305 V307 R312 V313E305-R309 WeakPolarHBondContact O-CB 3.5Å; E305-R309 PolarHBondContact O-N 3.39Å; V307-R309 PolarHBondContact O-N 3.47Å; R309-R312 PolarHBondContact O-N 3.38Å; R309-V313 VanDerWaalsContact O-CG2 3.29Å; R309-V313 WeakPolarHBondContact O-CG2 3.44Å; R309-V313 PolarHBondContact O-N 2.81Å
310K92.3Very high85.6Confident149 Ų14977.8 Ų77.865%0.64839%0.386SS*.Hα-helixtrans-64.7-43-179.1-172.3175.2-177.9-1790112A306 V307 Q308 M314A306-K310 VanDerWaalsContact O-CB 3.28Å; A306-K310 WeakPolarHBondContact O-CB 3.48Å; A306-K310 PolarHBondContact O-N 2.8Å; A306-K310 VanDerWaalsContact O-N 3.14Å; V307-K310 PolarHBondContact O-N 2.93Å; Q308-K310 PolarHBondContact O-N 2.84Å; K310-M314 WeakPolarHBondContact O-CB 3.26Å; K310-M314 PolarHBondContact O-N 3.12Å
311L90.4Very high84.3Confident36 Ų3684.5 Ų84.519%0.18841%0.407CS..Hα-helixtrans-68.8-42.5178-69.9176.2000111.7I30 I33 V307 Q308 V313 M314 C315I30-L311 HydrophobicContact CB-CB 4.49Å; I30-L311 HydrophobicContact CD1-CB 4.39Å; I30-L311 HydrophobicContact CG1-CB 3.98Å; I30-L311 HydrophobicContact CG2-CB 3.95Å; I30-L311 HydrophobicContact CG2-CD1 4.32Å; I33-L311 HydrophobicContact CB-CD1 3.89Å; I33-L311 HydrophobicContact CD1-CD1 4.18Å; I33-L311 HydrophobicContact CG2-CD1 3.78Å; V307-L311 HydrophobicContact CG1-CD1 3.74Å; V307-L311 HydrophobicContact CG1-CG 4.24Å; V307-L311 WeakPolarHBondContact O-CB 3.36Å; V307-L311 WeakPolarHBondContact O-CG 3.26Å; V307-L311 PolarHBondContact O-N 3.27Å; Q308-L311 PolarHBondContact O-N 3.45Å; L311-V313 PolarHBondContact O-N 3.18Å; L311-M314 WeakPolarHBondContact O-CB 3.43Å; L311-M314 PolarHBondContact O-N 3.39Å; L311-M314 VanDerWaalsContact O-N 3.16Å; L311-C315 VanDerWaalsContact O-CB 3.29Å; L311-C315 WeakPolarHBondContact O-CB 3.41Å; L311-C315 PolarHBondContact O-N 2.69Å; L311-C315 PolarHBondContact O-SG 3.44Å
312R88.5Confident83Confident106 Ų10685.7 Ų85.740%0.441%0.413SS..Hα-helixtrans-57.2-48.9174.7-76.2-173.6178.1-174.41.8111.4D27 I30 Q308 R309 M314 C315 I316D27-R312 IonicContact OD1-NH2 3.21Å; I30-R312 HydrophobicContact CD1-CG 4.01Å; I30-R312 HydrophobicContact CG2-CG 4.18Å; Q308-R312 WeakPolarHBondContact O-CB 3.4Å; Q308-R312 WeakPolarHBondContact O-CG 3.43Å; Q308-R312 PolarHBondContact O-N 3.33Å; R309-R312 PolarHBondContact O-N 3.38Å; R312-M314 VanDerWaalsContact C-N 3.32Å; R312-M314 PolarHBondContact O-N 3.42Å; R312-C315 CarbonylContact O-C 3.58Å; R312-C315 PolarHBondContact O-N 3.01Å; R312-C315 VanDerWaalsContact O-N 3.1Å; R312-I316 WeakPolarHBondContact O-CG1 3.4Å; R312-I316 PolarHBondContact O-N 3.15Å
313V88.7Confident81.3Confident92 Ų9285.6 Ų85.656%0.55842%0.424SS*.Hα-helixtrans-59-43.1176.31720000111.7R309 L311 C315 I316R309-V313 VanDerWaalsContact O-CG2 3.29Å; R309-V313 WeakPolarHBondContact O-CG2 3.44Å; R309-V313 PolarHBondContact O-N 2.81Å; L311-V313 PolarHBondContact O-N 3.18Å; V313-C315 VanDerWaalsContact C-N 3.26Å; V313-C315 PolarHBondContact O-N 3.14Å; V313-I316 HydrophobicContact CB-CD1 4.46Å; V313-I316 HydrophobicContact CG1-CD1 4.48Å; V313-I316 PolarHBondContact O-N 2.92Å
314M87.1Confident80.9Confident126 Ų12688.8 Ų88.862%0.62144%0.436SS*.Hα-helixtrans-64.6-32177.4-175.8178.7-68.500112.7K310 L311 R312 P317K310-M314 WeakPolarHBondContact O-CB 3.26Å; K310-M314 PolarHBondContact O-N 3.12Å; L311-M314 WeakPolarHBondContact O-CB 3.43Å; L311-M314 PolarHBondContact O-N 3.39Å; L311-M314 VanDerWaalsContact O-N 3.16Å; R312-M314 VanDerWaalsContact C-N 3.32Å; R312-M314 PolarHBondContact O-N 3.42Å; M314-P317 WeakPolarHBondContact O-CD 3.29Å
315C85.6Confident80.6Confident15 Ų1590.3 Ų90.310%0.10145%0.447CS..Hα-helixtrans-91.2-5.7-177.5-68.50000114L26 I30 L311 R312 V313 P317 L318 Y319L26-C315 HydrophobicContact CD1-CB 4.4Å; L26-C315 HydrophobicContact CD2-CB 4.07Å; L26-C315 HydrophobicContact CG-CB 4.47Å; I30-C315 HydrophobicContact CD1-CB 4.25Å; L311-C315 VanDerWaalsContact O-CB 3.29Å; L311-C315 WeakPolarHBondContact O-CB 3.41Å; L311-C315 PolarHBondContact O-N 2.69Å; L311-C315 PolarHBondContact O-SG 3.44Å; R312-C315 CarbonylContact O-C 3.58Å; R312-C315 PolarHBondContact O-N 3.01Å; R312-C315 VanDerWaalsContact O-N 3.1Å; V313-C315 VanDerWaalsContact C-N 3.26Å; V313-C315 PolarHBondContact O-N 3.14Å; C315-P317 VanDerWaalsContact C-N 3.27Å; C315-L318 HydrophobicContact CB-CD1 4.48Å; C315-L318 WeakPolarHBondContact O-CA 3.29Å; C315-L318 VanDerWaalsContact O-CB 3.31Å; C315-L318 WeakPolarHBondContact O-CB 3.01Å; C315-L318 PolarHBondContact O-N 3.5Å; C315-Y319 HydrophobicContact CB-CD2 4.31Å; C315-Y319 HydrophobicContact CB-CE2 4.08Å; C315-Y319 VanDerWaalsContact O-CD2 3.32Å; C315-Y319 WeakPolarHBondContact O-CD2 3.32Å; C315-Y319 PolarHBondContact O-N 3.34Å; C315-Y319 VanDerWaalsContact O-N 3.12Å
316I82.5Confident80.4Confident75 Ų7590.4 Ų90.439%0.38545%0.448SS..Hα-helixtrans-45.5-46.8174.8-68.7170.6000112.1R312 V313 L318 Y319 E320R312-I316 WeakPolarHBondContact O-CG1 3.4Å; R312-I316 PolarHBondContact O-N 3.15Å; V313-I316 HydrophobicContact CB-CD1 4.46Å; V313-I316 HydrophobicContact CG1-CD1 4.48Å; V313-I316 PolarHBondContact O-N 2.92Å; I316-L318 PolarHBondContact O-N 2.87Å; I316-L318 VanDerWaalsContact O-N 3.16Å; I316-Y319 WeakPolarHBondContact O-CB 3.23Å; I316-Y319 PolarHBondContact O-N 3.44Å; I316-E320 HydrophobicContact CG2-CG 4.14Å; I316-E320 WeakPolarHBondContact CG2-OE1 3.33Å; I316-E320 WeakPolarHBondContact O-CG 3.22Å; I316-E320 PolarHBondContact O-N 3.42Å
317P80.9Confident79.8Confident62 Ų6292.2 Ų92.240%0.40345%0.446SS..Hα-helixtrans-63.6-24179.2-22.234.8000114.1M314 C315 R321M314-P317 WeakPolarHBondContact O-CD 3.29Å; C315-P317 VanDerWaalsContact C-N 3.27Å; P317-R321 WeakPolarHBondContact O-CB 3.18Å; P317-R321 VanDerWaalsContact O-CG 3.28Å; P317-R321 WeakPolarHBondContact O-CG 3.19Å; P317-R321 PolarHBondContact O-N 2.83Å
318L76.5Confident79.2Confident84 Ų8495.4 Ų95.444%0.4446%0.458SS..Hα-helixtrans-78.8-36.1174-63171.9000111.2L26 C315 I316 H322L26-L318 HydrophobicContact CD2-CB 4.22Å; C315-L318 HydrophobicContact CB-CD1 4.48Å; C315-L318 WeakPolarHBondContact O-CA 3.29Å; C315-L318 VanDerWaalsContact O-CB 3.31Å; C315-L318 WeakPolarHBondContact O-CB 3.01Å; C315-L318 PolarHBondContact O-N 3.5Å; I316-L318 PolarHBondContact O-N 2.87Å; I316-L318 VanDerWaalsContact O-N 3.16Å; L318-H322 PolarHBondContact O-CD2 3.43Å
319Y74.6Confident78.6Confident43 Ų4399.7 Ų99.717%0.16948%0.479CS..Hα-helixtrans-64.3-41.7172.4-77.4-85000111.7R23 L26 D27 C315 I316 S323R23-Y319 HydrophobicContact CB-CD1 4.39Å; R23-Y319 HydrophobicContact CB-CE1 3.99Å; R23-Y319 HydrophobicContact CG-CD1 3.74Å; R23-Y319 HydrophobicContact CG-CE1 3.86Å; R23-Y319 PolarHBondContact NH2-O 2.96Å; L26-Y319 HydrophobicContact CD2-CD2 3.94Å; L26-Y319 HydrophobicContact CD2-CE1 4.38Å; L26-Y319 HydrophobicContact CD2-CE2 3.44Å; L26-Y319 VanDerWaalsContact CD2-CE2 3.44Å; L26-Y319 HydrophobicContact CG-CE2 4.14Å; D27-Y319 PolarHBondContact OD1-OH 3.46Å; D27-Y319 PolarHBondContact OD2-OH 3.45Å; D27-Y319 VanDerWaalsContact OD2-OH 3.13Å; C315-Y319 HydrophobicContact CB-CD2 4.31Å; C315-Y319 HydrophobicContact CB-CE2 4.08Å; C315-Y319 VanDerWaalsContact O-CD2 3.32Å; C315-Y319 WeakPolarHBondContact O-CD2 3.32Å; C315-Y319 PolarHBondContact O-N 3.34Å; C315-Y319 VanDerWaalsContact O-N 3.12Å; I316-Y319 WeakPolarHBondContact O-CB 3.23Å; I316-Y319 PolarHBondContact O-N 3.44Å; Y319-S323 PolarHBondContact O-N 3.16Å; Y319-S323 PolarHBondContact O-OG 3.13Å
320E73.5Confident77.9Confident127 Ų12794.9 Ų94.959%0.59347%0.468SS*.Hα-helixtrans-73.9-33.2-178-70.8177.3175.300113.4I316 H322 S323I316-E320 HydrophobicContact CG2-CG 4.14Å; I316-E320 WeakPolarHBondContact CG2-OE1 3.33Å; I316-E320 WeakPolarHBondContact O-CG 3.22Å; I316-E320 PolarHBondContact O-N 3.42Å; E320-H322 PolarHBondContact O-N 3.13Å; E320-S323 WeakPolarHBondContact CA-OG 3.34Å; E320-S323 PolarHBondContact O-OG 3.1Å
321R60.8Low76.8Confident196 Ų19690.7 Ų90.774%0.7445%0.454SS*.THydrogen-bonded Turntrans-65.7-17.5177.1-85.4-177.6-151.3-156.84.7114.4P317P317-R321 WeakPolarHBondContact O-CB 3.18Å; P317-R321 VanDerWaalsContact O-CG 3.28Å; P317-R321 WeakPolarHBondContact O-CG 3.19Å; P317-R321 PolarHBondContact O-N 2.83Å
322H56.8Low75.7Confident88 Ų8895.3 Ų95.341%0.40748%0.476SS..THydrogen-bonded Turntrans-118.3-1.5-174.5-69.3-74.3000114.3T19 L22 L318 E320T19-H322 WeakPolarHBondContact CB-O 3.34Å; T19-H322 HydrophobicContact CG2-CB 3.75Å; T19-H322 WeakPolarHBondContact CG2-O 3.48Å; T19-H322 PolarHBondContact OG1-O 3.33Å; L22-H322 VanDerWaalsContact CD2-CD2 3.48Å; L22-H322 WeakPolarHBondContact CD2-CD2 3.34Å; L318-H322 PolarHBondContact O-CD2 3.43Å; E320-H322 PolarHBondContact O-N 3.13Å
323S52.5Low74.5Confident129 Ų12994.3 Ų94.390%0.90248%0.483SS*.  trans-73.50162.930.50000111.6Y319 E320Y319-S323 PolarHBondContact O-N 3.16Å; Y319-S323 PolarHBondContact O-OG 3.13Å; E320-S323 WeakPolarHBondContact CA-OG 3.34Å; E320-S323 PolarHBondContact O-OG 3.1Å

Retrieved 323 of 323 residues in 320.5 ms (Link to these results)