A0A077ZMV3_TRITR Loading...

Trehalase

AlphaFold DB , UniProt , Accession A0A077ZMV3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 214 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
1M34.9Very low71.2Confident236 Ų236124.1 Ų124.1100%1.16361%0.611SS**  037.60-146.4-172.2-63.800112.3
2K51.5Low72.6Confident173 Ų173117.3 Ų117.375%0.75259%0.59SS**  trans-131.6-0.3-179.8-78.5-165.5175.7-168.70115.5
3H51.4Low73.6Confident172 Ų172112.8 Ų112.880%0.79657%0.567SS**SBendtrans-90.2-0.5-177.1-80.8-71.7000114.7
4E60.3Low74.6Confident134 Ų134114.4 Ų114.463%0.62658%0.579SS**Hα-helixtrans-80-21.8-177.4-68.1-175.6-178.200113.7F6 Q8E4-F6 PolarHBondContact O-N 2.94Å; E4-Q8 WeakPolarHBondContact O-CB 3.41Å; E4-Q8 WeakPolarHBondContact O-CG 3.3Å; E4-Q8 PolarHBondContact O-N 3.39Å; E4-Q8 PolarHBondContact OE2-NE2 3.45Å
5G75.6Confident75.7Confident11 Ų11111.8 Ų111.811%0.11357%0.567CS.*Hα-helixtrans-60.9-46-171.600000114.1Q8G5-Q8 PolarHBondContact O-N 3.1Å
6F81.4Confident76.7Confident92 Ų92115.3 Ų115.340%0.40458%0.58SS.*Hα-helixtrans-67.3-46.9-174.3-171.9-105.4000112.6E4 Q8 L9 I13 L19 F22E4-F6 PolarHBondContact O-N 2.94Å; F6-Q8 VanDerWaalsContact C-N 3.28Å; F6-Q8 PolarHBondContact O-N 3.45Å; F6-L9 HydrophobicContact CD2-CD1 4.34Å; F6-L9 WeakPolarHBondContact O-CB 3.4Å; F6-L9 PolarHBondContact O-N 3.26Å; F6-I13 HydrophobicContact CE2-CG2 4.41Å; F6-I13 HydrophobicContact CZ-CG2 4.46Å; F6-L19 HydrophobicContact CE2-CD2 4.35Å; F6-F22 HydrophobicContact CB-CE1 4.23Å; F6-F22 HydrophobicContact CB-CE2 3.91Å; F6-F22 HydrophobicContact CB-CZ 3.55Å; F6-F22 AromaticContact CD2-CD1 3.98Å; F6-F22 HydrophobicContact CD2-CD1 3.98Å; F6-F22 AromaticContact CD2-CE1 3.52Å; F6-F22 HydrophobicContact CD2-CE1 3.52Å; F6-F22 HydrophobicContact CD2-CE2 4.31Å; F6-F22 AromaticContact CD2-CZ 3.73Å; F6-F22 HydrophobicContact CD2-CZ 3.73Å; F6-F22 HydrophobicContact CE2-CE1 4.36Å; F6-F22 HydrophobicContact CG-CE1 4.3Å; F6-F22 HydrophobicContact CG-CZ 4.1Å
7F81.6Confident77.6Confident175 Ų175117.1 Ų117.177%0.76859%0.586SS**Hα-helixtrans-70.1-26-177.5-66.3-71000112.7L9F7-L9 PolarHBondContact O-N 2.89Å
8Q85.6Confident78.3Confident141 Ų141112.9 Ų112.966%0.65957%0.568SS**Hα-helixtrans-70.7-17175-74.5174.93.400113.4E4 G5 F6 G10E4-Q8 WeakPolarHBondContact O-CB 3.41Å; E4-Q8 WeakPolarHBondContact O-CG 3.3Å; E4-Q8 PolarHBondContact O-N 3.39Å; E4-Q8 PolarHBondContact OE2-NE2 3.45Å; G5-Q8 PolarHBondContact O-N 3.1Å; F6-Q8 VanDerWaalsContact C-N 3.28Å; F6-Q8 PolarHBondContact O-N 3.45Å; Q8-G10 VanDerWaalsContact C-N 3.26Å; Q8-G10 PolarHBondContact O-N 3.33Å
9L84Confident78.7Confident44 Ų44110.3 Ų110.323%0.2356%0.555CS.*THydrogen-bonded Turntrans-67.8-25.5177.6-63.6175.5000112.6F6 F7 D11 A12 I13 V18 F22F6-L9 HydrophobicContact CD2-CD1 4.34Å; F6-L9 WeakPolarHBondContact O-CB 3.4Å; F6-L9 PolarHBondContact O-N 3.26Å; F7-L9 PolarHBondContact O-N 2.89Å; L9-D11 PolarHBondContact O-N 3.39Å; L9-A12 WeakPolarHBondContact O-CB 3.49Å; L9-A12 PolarHBondContact O-N 2.81Å; L9-I13 HydrophobicContact CB-CG2 3.52Å; L9-I13 HydrophobicContact CD1-CG2 4.03Å; L9-I13 HydrophobicContact CG-CG2 4.43Å; L9-V18 HydrophobicContact CD1-CG1 4.37Å; L9-V18 HydrophobicContact CD2-CG1 3.78Å; L9-F22 HydrophobicContact CD1-CB 4.05Å; L9-F22 HydrophobicContact CD1-CD2 3.77Å; L9-F22 HydrophobicContact CD1-CE2 4.48Å; L9-F22 HydrophobicContact CD1-CG 3.89Å
10G87.7Confident79.2Confident42 Ų42108 Ų10843%0.43355%0.55SS..G310 helixtrans52.3-130.2179.900000112.1Q8 A12 I13Q8-G10 VanDerWaalsContact C-N 3.26Å; Q8-G10 PolarHBondContact O-N 3.33Å; G10-A12 PolarHBondContact O-N 2.88Å; G10-I13 WeakPolarHBondContact O-CG1 3.3Å; G10-I13 WeakPolarHBondContact O-CG2 3.31Å; G10-I13 PolarHBondContact O-N 3.38Å
11D89.1Confident79.6Confident145 Ų145106.5 Ų106.578%0.77555%0.546SS*.G310 helixtrans-69.8-14.3178.5-65.6-33.4000113.9L9 I13 N14L9-D11 PolarHBondContact O-N 3.39Å; D11-I13 PolarHBondContact O-N 3.5Å; D11-N14 PolarHBondContact O-N 2.89Å; D11-N14 VanDerWaalsContact O-N 3.16Å; D11-N14 PolarHBondContact O-ND2 2.93Å; D11-N14 VanDerWaalsContact O-ND2 3.07Å
12A87.6Confident82.2Confident43 Ų4396.5 Ų96.536%0.35550%0.496SS..G310 helixtrans-68.1-14.8179.700000112.7L9 G10 N14 N15 V18L9-A12 WeakPolarHBondContact O-CB 3.49Å; L9-A12 PolarHBondContact O-N 2.81Å; G10-A12 PolarHBondContact O-N 2.88Å; A12-N14 PolarHBondContact O-N 3.03Å; A12-N14 VanDerWaalsContact O-N 3.12Å; A12-N15 WeakPolarHBondContact O-CB 3.48Å; A12-N15 PolarHBondContact O-N 3.17Å; A12-V18 HydrophobicContact CB-CG1 4.1Å; A12-V18 HydrophobicContact CB-CG2 4.48Å; A12-V18 WeakPolarHBondContact O-CB 2.95Å
13I85.6Confident83.8Confident58 Ų5891.7 Ų91.730%0.29748%0.481SS..G310 helixtrans-58.1-21.3170.268-179.1000112.7F6 L9 G10 D11 N15 L19F6-I13 HydrophobicContact CE2-CG2 4.41Å; F6-I13 HydrophobicContact CZ-CG2 4.46Å; L9-I13 HydrophobicContact CB-CG2 3.52Å; L9-I13 HydrophobicContact CD1-CG2 4.03Å; L9-I13 HydrophobicContact CG-CG2 4.43Å; G10-I13 WeakPolarHBondContact O-CG1 3.3Å; G10-I13 WeakPolarHBondContact O-CG2 3.31Å; G10-I13 PolarHBondContact O-N 3.38Å; D11-I13 PolarHBondContact O-N 3.5Å; I13-N15 PolarHBondContact O-N 3.17Å; I13-L19 HydrophobicContact CB-CD2 4.17Å; I13-L19 WeakPolarHBondContact O-CD1 3.42Å; I13-L19 WeakPolarHBondContact O-CG 3.46Å
14N88.1Confident85.4Confident136 Ų13688.6 Ų88.673%0.72747%0.47SS*.G310 helixtrans-78.2-6.6178-61.4-58000112.6D11 A12D11-N14 PolarHBondContact O-N 2.89Å; D11-N14 VanDerWaalsContact O-N 3.16Å; D11-N14 PolarHBondContact O-ND2 2.93Å; D11-N14 VanDerWaalsContact O-ND2 3.07Å; A12-N14 PolarHBondContact O-N 3.03Å; A12-N14 VanDerWaalsContact O-N 3.12Å
15N90.5Very high86.6Confident75 Ų7587.9 Ų87.940%0.40147%0.471SS..SBendtrans-91.9119.8174.6-176.1-26.5000109.6A12 I13 E17 V18 L19A12-N15 WeakPolarHBondContact O-CB 3.48Å; A12-N15 PolarHBondContact O-N 3.17Å; I13-N15 PolarHBondContact O-N 3.17Å; N15-E17 VanDerWaalsContact C-N 3.3Å; N15-E17 PolarHBondContact O-N 3.21Å; N15-E17 WeakPolarHBondContact OD1-CB 3.45Å; N15-E17 PolarHBondContact OD1-N 2.87Å; N15-V18 HydrophobicContact CB-CB 4.05Å; N15-V18 HydrophobicContact CB-CG2 3.77Å; N15-V18 WeakPolarHBondContact O-CB 3.42Å; N15-V18 PolarHBondContact O-N 3.44Å; N15-V18 VanDerWaalsContact O-N 3.14Å; N15-L19 PolarHBondContact O-N 3.1Å
16E92.2Very high87Confident167 Ų16792.6 Ų92.678%0.7849%0.486SS*.Hα-helixtrans-57.6-38.7-179.8-173.3176178.600112.8V18 L19 S20E16-V18 VanDerWaalsContact C-N 3.35Å; E16-V18 PolarHBondContact O-N 2.75Å; E16-L19 PolarHBondContact O-N 3.22Å; E16-S20 WeakPolarHBondContact O-CB 3.05Å; E16-S20 PolarHBondContact O-N 2.87Å
17E91.5Very high87.1Confident147 Ų14794 Ų9469%0.68749%0.492SS*.Hα-helixtrans-66.8-38.6178.2-65.7-179.1170.100111.6N15 S20 T21N15-E17 VanDerWaalsContact C-N 3.3Å; N15-E17 PolarHBondContact O-N 3.21Å; N15-E17 WeakPolarHBondContact OD1-CB 3.45Å; N15-E17 PolarHBondContact OD1-N 2.87Å; E17-S20 PolarHBondContact O-N 2.67Å; E17-T21 WeakPolarHBondContact O-CB 3.31Å; E17-T21 PolarHBondContact O-N 3.01Å; E17-T21 PolarHBondContact O-OG1 3.31Å
18V89.9Confident86.9Confident41 Ų4191.7 Ų91.725%0.24849%0.488CS..Hα-helixtrans-66.9-44.3177.6175.50000110.3L9 A12 N15 E16 F22L9-V18 HydrophobicContact CD1-CG1 4.37Å; L9-V18 HydrophobicContact CD2-CG1 3.78Å; A12-V18 HydrophobicContact CB-CG1 4.1Å; A12-V18 HydrophobicContact CB-CG2 4.48Å; A12-V18 WeakPolarHBondContact O-CB 2.95Å; N15-V18 HydrophobicContact CB-CB 4.05Å; N15-V18 HydrophobicContact CB-CG2 3.77Å; N15-V18 WeakPolarHBondContact O-CB 3.42Å; N15-V18 PolarHBondContact O-N 3.44Å; N15-V18 VanDerWaalsContact O-N 3.14Å; E16-V18 VanDerWaalsContact C-N 3.35Å; E16-V18 PolarHBondContact O-N 2.75Å; V18-F22 WeakPolarHBondContact O-CB 3.17Å; V18-F22 PolarHBondContact O-N 3.37Å
19L87.7Confident86.5Confident64 Ų6488.6 Ų88.634%0.33548%0.48SS..Hα-helixtrans-65.1-43.9175.1-79.2179000112.4F6 I13 N15 E16 T21 F22 V23F6-L19 HydrophobicContact CE2-CD2 4.35Å; I13-L19 HydrophobicContact CB-CD2 4.17Å; I13-L19 WeakPolarHBondContact O-CD1 3.42Å; I13-L19 WeakPolarHBondContact O-CG 3.46Å; N15-L19 PolarHBondContact O-N 3.1Å; E16-L19 PolarHBondContact O-N 3.22Å; L19-T21 VanDerWaalsContact C-N 3.33Å; L19-T21 PolarHBondContact O-N 3.15Å; L19-F22 PolarHBondContact O-N 3.25Å; L19-V23 WeakPolarHBondContact O-CG2 3.49Å; L19-V23 PolarHBondContact O-N 3.24Å
20S87.9Confident86Confident64 Ų6492.7 Ų92.745%0.44851%0.509SS..Hα-helixtrans-59.1-47.2178-170.40000110.6E16 E17 F22 V23 D24E16-S20 WeakPolarHBondContact O-CB 3.05Å; E16-S20 PolarHBondContact O-N 2.87Å; E17-S20 PolarHBondContact O-N 2.67Å; S20-F22 VanDerWaalsContact C-N 3.34Å; S20-F22 PolarHBondContact O-N 3.05Å; S20-V23 PolarHBondContact O-N 3.07Å; S20-D24 PolarHBondContact O-N 2.62Å
21T88.5Confident85.2Confident77 Ų7793.7 Ų93.747%0.47252%0.52SS..Hα-helixtrans-60.9-44.1176.9-52.50000111.2E17 L19 V23 D24 D25E17-T21 WeakPolarHBondContact O-CB 3.31Å; E17-T21 PolarHBondContact O-N 3.01Å; E17-T21 PolarHBondContact O-OG1 3.31Å; L19-T21 VanDerWaalsContact C-N 3.33Å; L19-T21 PolarHBondContact O-N 3.15Å; T21-V23 VanDerWaalsContact C-N 3.35Å; T21-V23 PolarHBondContact O-N 3.23Å; T21-D24 PolarHBondContact O-N 3.02Å; T21-D25 WeakPolarHBondContact O-CB 3.42Å; T21-D25 VanDerWaalsContact O-CG 3.3Å; T21-D25 PolarHBondContact O-N 3.19Å
22F88.5Confident84.4Confident25 Ų2589 Ų8911%0.1150%0.499CS..Hα-helixtrans-62-41.4175.6178.1-91.3000112.2F6 L9 V18 L19 S20 D25 Y26 F27F6-F22 HydrophobicContact CB-CE1 4.23Å; F6-F22 HydrophobicContact CB-CE2 3.91Å; F6-F22 HydrophobicContact CB-CZ 3.55Å; F6-F22 AromaticContact CD2-CD1 3.98Å; F6-F22 HydrophobicContact CD2-CD1 3.98Å; F6-F22 AromaticContact CD2-CE1 3.52Å; F6-F22 HydrophobicContact CD2-CE1 3.52Å; F6-F22 HydrophobicContact CD2-CE2 4.31Å; F6-F22 AromaticContact CD2-CZ 3.73Å; F6-F22 HydrophobicContact CD2-CZ 3.73Å; F6-F22 HydrophobicContact CE2-CE1 4.36Å; F6-F22 HydrophobicContact CG-CE1 4.3Å; F6-F22 HydrophobicContact CG-CZ 4.1Å; L9-F22 HydrophobicContact CD1-CB 4.05Å; L9-F22 HydrophobicContact CD1-CD2 3.77Å; L9-F22 HydrophobicContact CD1-CE2 4.48Å; L9-F22 HydrophobicContact CD1-CG 3.89Å; V18-F22 WeakPolarHBondContact O-CB 3.17Å; V18-F22 PolarHBondContact O-N 3.37Å; L19-F22 PolarHBondContact O-N 3.25Å; S20-F22 VanDerWaalsContact C-N 3.34Å; S20-F22 PolarHBondContact O-N 3.05Å; F22-D25 PolarHBondContact O-N 3.11Å; F22-Y26 AromaticContact CD2-CD2 3.49Å; F22-Y26 HydrophobicContact CD2-CD2 3.49Å; F22-Y26 VanDerWaalsContact CD2-CD2 3.49Å; F22-Y26 AromaticContact CD2-CE2 3.52Å; F22-Y26 HydrophobicContact CD2-CE2 3.52Å; F22-Y26 HydrophobicContact CD2-CG 4.42Å; F22-Y26 HydrophobicContact CE1-CD2 4.45Å; F22-Y26 HydrophobicContact CE2-CD1 4.44Å; F22-Y26 AromaticContact CE2-CD2 3.34Å; F22-Y26 HydrophobicContact CE2-CD2 3.34Å; F22-Y26 HydrophobicContact CE2-CE1 4.46Å; F22-Y26 AromaticContact CE2-CE2 3.39Å; F22-Y26 HydrophobicContact CE2-CE2 3.39Å; F22-Y26 AromaticContact CE2-CG 3.91Å; F22-Y26 HydrophobicContact CE2-CG 3.91Å; F22-Y26 AromaticContact CE2-CZ 3.98Å; F22-Y26 HydrophobicContact CG-CD2 4.1Å; F22-Y26 AromaticContact CZ-CD2 3.85Å; F22-Y26 HydrophobicContact CZ-CD2 3.85Å; F22-Y26 HydrophobicContact CZ-CE2 4.29Å; F22-Y26 AromaticContact CZ-CG 3.98Å; F22-Y26 HydrophobicContact CZ-CG 3.98Å; F22-Y26 WeakPolarHBondContact O-CB 3.44Å; F22-Y26 VanDerWaalsContact O-CD2 3.27Å; F22-Y26 WeakPolarHBondContact O-CD2 3.44Å; F22-Y26 PolarHBondContact O-N 3.01Å; F22-Y26 VanDerWaalsContact O-N 3.14Å; F22-F27 AromaticContact CE1-CE2 3.95Å; F22-F27 HydrophobicContact CE1-CE2 3.95Å
23V86.1Confident83.6Confident72 Ų7293.5 Ų93.544%0.43651%0.512SS..Hα-helixtrans-63.2-46.7176.9170.90000110L19 S20 T21 D25 Y26 F27L19-V23 WeakPolarHBondContact O-CG2 3.49Å; L19-V23 PolarHBondContact O-N 3.24Å; S20-V23 PolarHBondContact O-N 3.07Å; T21-V23 VanDerWaalsContact C-N 3.35Å; T21-V23 PolarHBondContact O-N 3.23Å; V23-D25 VanDerWaalsContact C-N 3.34Å; V23-D25 PolarHBondContact O-N 3.32Å; V23-Y26 PolarHBondContact O-N 3.45Å; V23-F27 HydrophobicContact CG1-CB 4.28Å; V23-F27 HydrophobicContact CG1-CD2 4.5Å; V23-F27 WeakPolarHBondContact O-CA 3.18Å; V23-F27 VanDerWaalsContact O-CB 3.28Å; V23-F27 WeakPolarHBondContact O-CB 3.28Å; V23-F27 PolarHBondContact O-N 3.19Å
24D84.3Confident82.6Confident107 Ų10796.9 Ų96.957%0.57253%0.53SS*.Hα-helixtrans-64.6-35.6179.6-67.7-26.8000113S20 T21S20-D24 PolarHBondContact O-N 2.62Å; T21-D24 PolarHBondContact O-N 3.02Å
25D84.8Confident81.6Confident120 Ų12095.7 Ų95.764%0.64253%0.53SS*.Hα-helixtrans-73.1-31.9-179.9-80.1-15.4000113.2T21 F22 V23T21-D25 WeakPolarHBondContact O-CB 3.42Å; T21-D25 VanDerWaalsContact O-CG 3.3Å; T21-D25 PolarHBondContact O-N 3.19Å; F22-D25 PolarHBondContact O-N 3.11Å; V23-D25 VanDerWaalsContact C-N 3.34Å; V23-D25 PolarHBondContact O-N 3.32Å
26Y85.2Confident80.4Confident110 Ų11097.7 Ų97.743%0.43154%0.54SS..Hα-helixtrans-113.5-18.7-170.6-71-92.4000114.3F22 V23F22-Y26 AromaticContact CD2-CD2 3.49Å; F22-Y26 HydrophobicContact CD2-CD2 3.49Å; F22-Y26 VanDerWaalsContact CD2-CD2 3.49Å; F22-Y26 AromaticContact CD2-CE2 3.52Å; F22-Y26 HydrophobicContact CD2-CE2 3.52Å; F22-Y26 HydrophobicContact CD2-CG 4.42Å; F22-Y26 HydrophobicContact CE1-CD2 4.45Å; F22-Y26 HydrophobicContact CE2-CD1 4.44Å; F22-Y26 AromaticContact CE2-CD2 3.34Å; F22-Y26 HydrophobicContact CE2-CD2 3.34Å; F22-Y26 HydrophobicContact CE2-CE1 4.46Å; F22-Y26 AromaticContact CE2-CE2 3.39Å; F22-Y26 HydrophobicContact CE2-CE2 3.39Å; F22-Y26 AromaticContact CE2-CG 3.91Å; F22-Y26 HydrophobicContact CE2-CG 3.91Å; F22-Y26 AromaticContact CE2-CZ 3.98Å; F22-Y26 HydrophobicContact CG-CD2 4.1Å; F22-Y26 AromaticContact CZ-CD2 3.85Å; F22-Y26 HydrophobicContact CZ-CD2 3.85Å; F22-Y26 HydrophobicContact CZ-CE2 4.29Å; F22-Y26 AromaticContact CZ-CG 3.98Å; F22-Y26 HydrophobicContact CZ-CG 3.98Å; F22-Y26 WeakPolarHBondContact O-CB 3.44Å; F22-Y26 VanDerWaalsContact O-CD2 3.27Å; F22-Y26 WeakPolarHBondContact O-CD2 3.44Å; F22-Y26 PolarHBondContact O-N 3.01Å; F22-Y26 VanDerWaalsContact O-N 3.14Å; V23-Y26 PolarHBondContact O-N 3.45Å
27F82.6Confident79.3Confident121 Ų12193 Ų9353%0.53152%0.52SS..SBendtrans-124.1135.7-178.2-60.3-97.1000110.6F22 V23F22-F27 AromaticContact CE1-CE2 3.95Å; F22-F27 HydrophobicContact CE1-CE2 3.95Å; V23-F27 HydrophobicContact CG1-CB 4.28Å; V23-F27 HydrophobicContact CG1-CD2 4.5Å; V23-F27 WeakPolarHBondContact O-CA 3.18Å; V23-F27 VanDerWaalsContact O-CB 3.28Å; V23-F27 WeakPolarHBondContact O-CB 3.28Å; V23-F27 PolarHBondContact O-N 3.19Å
28N77.7Confident78.7Confident127 Ų12792.1 Ų92.168%0.67952%0.52SS*.PPolyproline II helixtrans-75.3129.9172.1-75.3-16.8000109S32N28-S32 VanDerWaalsContact CB-OG 3.31Å; N28-S32 WeakPolarHBondContact CB-OG 3.41Å
29P77.2Confident78.2Confident76 Ų7697.5 Ų97.549%0.49454%0.536SS..PPolyproline II helixtrans-62151172.524.2-32.8000110.8G31 S32P29-G31 PolarHBondContact O-N 3.4Å; P29-S32 WeakPolarHBondContact CD-OG 3.3Å; P29-S32 WeakPolarHBondContact CG-OG 3.43Å; P29-S32 WeakPolarHBondContact O-CB 3.44Å; P29-S32 PolarHBondContact O-N 3.21Å; P29-S32 PolarHBondContact O-OG 3Å
30P73.4Confident77.6Confident130 Ų13097.9 Ų97.984%0.84454%0.538SS*.THydrogen-bonded Turntrans-52.6131.8174.1-22.831.8000111.1
31G72Confident77.1Confident63 Ų63100.5 Ų100.565%0.64954%0.542SS*.THydrogen-bonded Turntrans89.6-5.8-176.100000115.5P29 E33P29-G31 PolarHBondContact O-N 3.4Å; G31-E33 VanDerWaalsContact C-N 3.29Å; G31-E33 VanDerWaalsContact C-OE2 3.24Å; G31-E33 WeakPolarHBondContact CA-OE2 3.34Å; G31-E33 PolarHBondContact N-OE1 3.4Å; G31-E33 PolarHBondContact N-OE2 3.16Å
32S72.1Confident76.8Confident47 Ų47102.6 Ų102.633%0.32955%0.546SS..  trans-93.917.7170.267.80000112.8N28 P29 L34N28-S32 VanDerWaalsContact CB-OG 3.31Å; N28-S32 WeakPolarHBondContact CB-OG 3.41Å; P29-S32 WeakPolarHBondContact CD-OG 3.3Å; P29-S32 WeakPolarHBondContact CG-OG 3.43Å; P29-S32 WeakPolarHBondContact O-CB 3.44Å; P29-S32 PolarHBondContact O-N 3.21Å; P29-S32 PolarHBondContact O-OG 3Å; S32-L34 PolarHBondContact O-N 3.46Å
33E69.2Low76.5Confident136 Ų136103.8 Ų103.864%0.63655%0.553SS**PPolyproline II helixtrans-54.4131.8172.8-53.682.3-166.600108.1G31G31-E33 VanDerWaalsContact C-N 3.29Å; G31-E33 VanDerWaalsContact C-OE2 3.24Å; G31-E33 WeakPolarHBondContact CA-OE2 3.34Å; G31-E33 PolarHBondContact N-OE1 3.4Å; G31-E33 PolarHBondContact N-OE2 3.16Å
34L65.7Low76Confident129 Ų129102.8 Ų102.868%0.67554%0.544SS*.PPolyproline II helixtrans-52.8137.6170.5-68.2173000107.3S32 L36S32-L34 PolarHBondContact O-N 3.46Å; L34-L36 PolarHBondContact O-N 3.31Å
35P66.6Low75.8Confident111 Ų111100.4 Ų100.472%0.72154%0.539SS*.PPolyproline II helixtrans-48.7134.2169.320.6-31.1000107.7N37P35-N37 PolarHBondContact O-N 2.89Å
36L65.3Low75.7Confident118 Ų11899 Ų9962%0.61853%0.53SS*.  trans-44.5103.7179.4-98.1115.4000108.3L34 L40 F41L34-L36 PolarHBondContact O-N 3.31Å; L36-L40 HydrophobicContact CD2-CD2 3.61Å; L36-L40 HydrophobicContact CD2-CG 4.32Å; L36-L40 HydrophobicContact CG-CD2 3.72Å; L36-F41 HydrophobicContact CB-CE2 4.06Å; L36-F41 HydrophobicContact CB-CZ 4.45Å; L36-F41 HydrophobicContact CD2-CE1 4.13Å; L36-F41 HydrophobicContact CD2-CE2 3.84Å; L36-F41 HydrophobicContact CD2-CZ 3.62Å
37N69.7Low75.3Confident67 Ų6798.4 Ų98.436%0.35853%0.528SS..  trans-94161.1-178.161.510.6000108.4P35 W39 L40P35-N37 PolarHBondContact O-N 2.89Å; N37-W39 PolarHBondContact O-N 3.45Å; N37-L40 PolarHBondContact O-N 2.96Å; N37-L40 PolarHBondContact OD1-N 3.07Å
38D77.8Confident75Confident129 Ų12996.8 Ų96.869%0.6952%0.524SS*.Hα-helixtrans-52.9-32.2-178.8-62.6-32.4000111.9L40 F41 E42D38-L40 PolarHBondContact O-N 2.8Å; D38-F41 WeakPolarHBondContact O-CB 3.38Å; D38-F41 PolarHBondContact O-N 3.33Å; D38-E42 WeakPolarHBondContact O-CG 3.47Å; D38-E42 PolarHBondContact O-N 2.8Å
39W79.8Confident75Confident154 Ų15494.5 Ų94.558%0.58352%0.518SS*.Hα-helixtrans-59.3-39.7175.4178.182.3000113.8N37 F41 E42 L43N37-W39 PolarHBondContact O-N 3.45Å; W39-F41 VanDerWaalsContact C-N 3.32Å; W39-F41 PolarHBondContact O-N 3.13Å; W39-E42 PolarHBondContact O-N 2.93Å; W39-L43 HydrophobicContact CH2-CD2 3.64Å; W39-L43 HydrophobicContact CZ2-CD2 4.09Å; W39-L43 HydrophobicContact CZ3-CD2 4Å; W39-L43 VanDerWaalsContact O-CB 3.31Å; W39-L43 WeakPolarHBondContact O-CB 3.17Å; W39-L43 PolarHBondContact O-N 2.96Å
40L76.2Confident75.3Confident73 Ų7394.7 Ų94.738%0.38251%0.514SS..Hα-helixtrans-67.3-36.6177.8-176.859.7000111.2L36 N37 D38 L43 H44L36-L40 HydrophobicContact CD2-CD2 3.61Å; L36-L40 HydrophobicContact CD2-CG 4.32Å; L36-L40 HydrophobicContact CG-CD2 3.72Å; N37-L40 PolarHBondContact O-N 2.96Å; N37-L40 PolarHBondContact OD1-N 3.07Å; D38-L40 PolarHBondContact O-N 2.8Å; L40-L43 HydrophobicContact CD1-CD2 4.45Å; L40-H44 VanDerWaalsContact O-CB 3.3Å; L40-H44 WeakPolarHBondContact O-CB 3.5Å; L40-H44 PolarHBondContact O-N 3Å
41F76.9Confident75.7Confident119 Ų11989.5 Ų89.552%0.52248%0.481SS..Hα-helixtrans-67.8-40.8173.4-71.7-73.5000111.9L36 D38 W39 H44 A45L36-F41 HydrophobicContact CB-CE2 4.06Å; L36-F41 HydrophobicContact CB-CZ 4.45Å; L36-F41 HydrophobicContact CD2-CE1 4.13Å; L36-F41 HydrophobicContact CD2-CE2 3.84Å; L36-F41 HydrophobicContact CD2-CZ 3.62Å; D38-F41 WeakPolarHBondContact O-CB 3.38Å; D38-F41 PolarHBondContact O-N 3.33Å; W39-F41 VanDerWaalsContact C-N 3.32Å; W39-F41 PolarHBondContact O-N 3.13Å; F41-H44 PolarHBondContact O-N 2.96Å; F41-A45 WeakPolarHBondContact O-CB 3.47Å; F41-A45 PolarHBondContact O-N 3.45Å
42E82Confident76.4Confident120 Ų12093.6 Ų93.656%0.56148%0.477SS*.Hα-helixtrans-62.2-45.1173.8-73177.3-173.900111.4D38 W39 A45 I46D38-E42 WeakPolarHBondContact O-CG 3.47Å; D38-E42 PolarHBondContact O-N 2.8Å; W39-E42 PolarHBondContact O-N 2.93Å; E42-A45 PolarHBondContact O-N 2.86Å; E42-I46 VanDerWaalsContact O-CG1 3.3Å; E42-I46 WeakPolarHBondContact O-CG1 3.43Å; E42-I46 PolarHBondContact O-N 3.45Å
43L81.4Confident77.1Confident51 Ų5196.5 Ų96.527%0.26748%0.484SS..Hα-helixtrans-59.8-48.9175.3-17868.9000110.5W39 L40 A45 I46 W47W39-L43 HydrophobicContact CH2-CD2 3.64Å; W39-L43 HydrophobicContact CZ2-CD2 4.09Å; W39-L43 HydrophobicContact CZ3-CD2 4Å; W39-L43 VanDerWaalsContact O-CB 3.31Å; W39-L43 WeakPolarHBondContact O-CB 3.17Å; W39-L43 PolarHBondContact O-N 2.96Å; L40-L43 HydrophobicContact CD1-CD2 4.45Å; L43-A45 VanDerWaalsContact C-N 3.31Å; L43-A45 PolarHBondContact O-N 3.34Å; L43-I46 WeakPolarHBondContact O-CB 3.25Å; L43-I46 PolarHBondContact O-N 3.22Å; L43-I46 VanDerWaalsContact O-N 3.1Å; L43-W47 PolarHBondContact O-N 3.34Å
44H76.7Confident78.1Confident51 Ų5191 Ų9124%0.23646%0.459CS..Hα-helixtrans-55.6-44.3175.6-176.379000112.2L40 F41 I46 W47 L48 S80L40-H44 VanDerWaalsContact O-CB 3.3Å; L40-H44 WeakPolarHBondContact O-CB 3.5Å; L40-H44 PolarHBondContact O-N 3Å; F41-H44 PolarHBondContact O-N 2.96Å; H44-I46 VanDerWaalsContact C-N 3.33Å; H44-I46 PolarHBondContact O-N 2.89Å; H44-W47 PolarHBondContact O-N 3.46Å; H44-L48 PolarHBondContact O-N 3.2Å; H44-S80 PolarHBondContact CE1-O 3.02Å; H44-S80 PolarHBondContact ND1-OG 2.72Å
45A79.6Confident79.3Confident57 Ų5792.2 Ų92.247%0.47146%0.459SS..Hα-helixtrans-64.1-36.7176.500000112.6F41 E42 L43 L48F41-A45 WeakPolarHBondContact O-CB 3.47Å; F41-A45 PolarHBondContact O-N 3.45Å; E42-A45 PolarHBondContact O-N 2.86Å; L43-A45 VanDerWaalsContact C-N 3.31Å; L43-A45 PolarHBondContact O-N 3.34Å; A45-L48 PolarHBondContact O-N 2.84Å
46I82.1Confident80.5Confident90 Ų9093 Ų9346%0.46245%0.453SS..Hα-helixtrans-62.5-44.9174.6-68.9163.7000110.2E42 L43 H44 L48 S49 L50E42-I46 VanDerWaalsContact O-CG1 3.3Å; E42-I46 WeakPolarHBondContact O-CG1 3.43Å; E42-I46 PolarHBondContact O-N 3.45Å; L43-I46 WeakPolarHBondContact O-CB 3.25Å; L43-I46 PolarHBondContact O-N 3.22Å; L43-I46 VanDerWaalsContact O-N 3.1Å; H44-I46 VanDerWaalsContact C-N 3.33Å; H44-I46 PolarHBondContact O-N 2.89Å; I46-L48 VanDerWaalsContact C-N 3.31Å; I46-L48 PolarHBondContact O-N 2.92Å; I46-S49 WeakPolarHBondContact O-CB 3.49Å; I46-S49 PolarHBondContact O-N 3.36Å; I46-S49 PolarHBondContact O-OG 3.39Å; I46-L50 HydrophobicContact CG2-CD1 3.95Å; I46-L50 HydrophobicContact CG2-CG 4.24Å; I46-L50 WeakPolarHBondContact O-CG 3.14Å; I46-L50 PolarHBondContact O-N 2.91Å
47W77.8Confident81.8Confident98 Ų9890.6 Ų90.637%0.37144%0.441SS..Hα-helixtrans-54.1-47.1178.9-70108.1000111.5L43 H44 S49 L50 I75 I76L43-W47 PolarHBondContact O-N 3.34Å; H44-W47 PolarHBondContact O-N 3.46Å; W47-S49 PolarHBondContact O-N 3.01Å; W47-S49 VanDerWaalsContact O-N 3.15Å; W47-L50 HydrophobicContact CE3-CD1 4.45Å; W47-L50 WeakPolarHBondContact O-CA 3.34Å; W47-L50 WeakPolarHBondContact O-CB 3.33Å; W47-L50 PolarHBondContact O-N 3.42Å; W47-I75 HydrophobicContact CE3-CG2 3.95Å; W47-I75 HydrophobicContact CZ3-CG2 4.49Å; W47-I75 WeakPolarHBondContact O-CD1 3.38Å; W47-I76 VanDerWaalsContact CZ3-O 3.3Å; W47-I76 WeakPolarHBondContact CZ3-O 3.23Å
48L75Confident82.8Confident87 Ų8789.1 Ų89.146%0.45543%0.431SS..Hα-helixtrans-55.2-37.2177.4-66.4170.1000113.3H44 A45 I46 L50 M82H44-L48 PolarHBondContact O-N 3.2Å; A45-L48 PolarHBondContact O-N 2.84Å; I46-L48 VanDerWaalsContact C-N 3.31Å; I46-L48 PolarHBondContact O-N 2.92Å; L48-L50 VanDerWaalsContact C-N 3.28Å; L48-L50 PolarHBondContact O-N 3Å; L48-M82 HydrophobicContact CD2-CE 3.49Å; L48-M82 VanDerWaalsContact CD2-CE 3.49Å; L48-M82 HydrophobicContact CD2-CG 4.22Å; L48-M82 HydrophobicContact CD2-SD 3.95Å; L48-M82 HydrophobicContact CG-CE 4.46Å
49S79.6Confident83.4Confident79 Ų7986.1 Ų86.155%0.55242%0.415SS*.Hα-helixtrans-74.1-17.4177.178.60000114I46 W47 C51 R52I46-S49 WeakPolarHBondContact O-CB 3.49Å; I46-S49 PolarHBondContact O-N 3.36Å; I46-S49 PolarHBondContact O-OG 3.39Å; W47-S49 PolarHBondContact O-N 3.01Å; W47-S49 VanDerWaalsContact O-N 3.15Å; S49-C51 VanDerWaalsContact C-N 3.33Å; S49-R52 PolarHBondContact O-NH1 3.25Å
50L82.3Confident84Confident79 Ų7984 Ų8441%0.41442%0.419SS..THydrogen-bonded Turntrans-85.8-3.1179.2-64.6178000113.2I46 W47 L48 R52I46-L50 HydrophobicContact CG2-CD1 3.95Å; I46-L50 HydrophobicContact CG2-CG 4.24Å; I46-L50 WeakPolarHBondContact O-CG 3.14Å; I46-L50 PolarHBondContact O-N 2.91Å; W47-L50 HydrophobicContact CE3-CD1 4.45Å; W47-L50 WeakPolarHBondContact O-CA 3.34Å; W47-L50 WeakPolarHBondContact O-CB 3.33Å; W47-L50 PolarHBondContact O-N 3.42Å; L48-L50 VanDerWaalsContact C-N 3.28Å; L48-L50 PolarHBondContact O-N 3Å; L50-R52 PolarHBondContact O-N 2.72Å; L50-R52 PolarHBondContact O-NH1 3.33Å
51C82.1Confident84.8Confident22 Ų2282.7 Ų82.715%0.14941%0.413CS..  trans-54133.7172.7-1020000110.3S49 E73 I75S49-C51 VanDerWaalsContact C-N 3.33Å; C51-E73 HydrophobicContact CB-CB 4.37Å; C51-E73 HydrophobicContact CB-CG 4.48Å; C51-E73 WeakPolarHBondContact CB-OE2 3.4Å; C51-E73 PolarHBondContact SG-OE2 2.96Å; C51-I75 VanDerWaalsContact CA-CD1 3.45Å; C51-I75 HydrophobicContact CB-CD1 3.74Å; C51-I75 HydrophobicContact CB-CG1 3.97Å; C51-I75 VanDerWaalsContact N-CD1 3.26Å; C51-I75 WeakPolarHBondContact SG-CD1 3.41Å; C51-I75 WeakPolarHBondContact SG-CG1 3.26Å
52R86Confident85.4Confident148 Ų14880.8 Ų80.856%0.55841%0.405SS*.BIsolated β-bridgetrans-126.2129.9173.3-61.1-63.4176.5-95.2-1.3109.6S49 L50 E73 F74S49-R52 PolarHBondContact O-NH1 3.25Å; L50-R52 PolarHBondContact O-N 2.72Å; L50-R52 PolarHBondContact O-NH1 3.33Å; R52-E73 CarbonylContact O-C 3.56Å; R52-E73 WeakPolarHBondContact O-CA 3.41Å; R52-F74 PolarHBondContact N-O 2.95Å; R52-F74 PolarHBondContact O-N 3.44Å
53K87.9Confident85.9Confident109 Ų10982 Ų8247%0.47441%0.411SS..PPolyproline II helixtrans-98.5134167.3-168.1179171.7-1780108.9E56 P71 E73K53-E56 IonicContact NZ-OE1 3.2Å; K53-P71 WeakPolarHBondContact CE-O 3.24Å; K53-E73 HydrophobicContact CB-CG 3.83Å; K53-E73 HydrophobicContact CG-CG 4.45Å
54V90.1Very high86.5Confident21 Ų2185 Ų8513%0.12743%0.427CS..PPolyproline II helixtrans-70.9136.6171.6-171.60000108.5F58 L67 Y69 V70V54-F58 HydrophobicContact CG1-CB 3.71Å; V54-F58 HydrophobicContact CG1-CD1 3.75Å; V54-F58 HydrophobicContact CG1-CD2 4.15Å; V54-F58 HydrophobicContact CG1-CE1 4.41Å; V54-F58 HydrophobicContact CG1-CG 3.6Å; V54-L67 HydrophobicContact CG1-CD2 3.96Å; V54-L67 HydrophobicContact CG2-CD2 3.99Å; V54-Y69 HydrophobicContact CB-CD2 4.08Å; V54-Y69 HydrophobicContact CB-CE2 4.43Å; V54-Y69 HydrophobicContact CG1-CD2 3.83Å; V54-V70 HydrophobicContact CG2-CG2 3.87Å
55K91Very high87.3Confident154 Ų15486 Ų8667%0.6743%0.429SS*.PPolyproline II helixtrans-65.4141.3178.7-65.7-179179.5179.80109.8D57 F58K55-D57 PolarHBondContact O-N 2.89Å; K55-D57 VanDerWaalsContact O-N 3.13Å; K55-F58 HydrophobicContact CB-CD2 3.99Å; K55-F58 HydrophobicContact CB-CE2 4.28Å; K55-F58 WeakPolarHBondContact O-CB 3.41Å; K55-F58 PolarHBondContact O-N 3.5Å
56E91.8Very high87.9Confident126 Ų12686 Ų8659%0.58943%0.426SS*.THydrogen-bonded Turntrans-59.6-24.3177.7-67.4172.4-16800112.9K53 F58 D59K53-E56 IonicContact NZ-OE1 3.2Å; E56-F58 PolarHBondContact O-N 3.28Å; E56-D59 VanDerWaalsContact O-CB 3.26Å; E56-D59 WeakPolarHBondContact O-CB 3.41Å; E56-D59 PolarHBondContact O-N 3.04Å
57D92.6Very high88.5Confident69 Ų6984.2 Ų84.237%0.36942%0.416SS..Hα-helixtrans-56-29.3171.6-177.665.2000113.5K55 D59 V60 N61 Y65K55-D57 PolarHBondContact O-N 2.89Å; K55-D57 VanDerWaalsContact O-N 3.13Å; D57-D59 PolarHBondContact O-N 3.42Å; D57-V60 PolarHBondContact O-N 3.39Å; D57-N61 PolarHBondContact O-N 3.29Å; D57-N61 PolarHBondContact OD1-ND2 3.46Å; D57-Y65 PolarHBondContact OD2-OH 3.47Å
58F90.7Very high89.2Confident35 Ų3580 Ų8015%0.15440%0.402CS..Hα-helixtrans-70-24.8176.9-76.2-124.7000111.7V54 K55 E56 Q62 Y65 L67 Y69V54-F58 HydrophobicContact CG1-CB 3.71Å; V54-F58 HydrophobicContact CG1-CD1 3.75Å; V54-F58 HydrophobicContact CG1-CD2 4.15Å; V54-F58 HydrophobicContact CG1-CE1 4.41Å; V54-F58 HydrophobicContact CG1-CG 3.6Å; K55-F58 HydrophobicContact CB-CD2 3.99Å; K55-F58 HydrophobicContact CB-CE2 4.28Å; K55-F58 WeakPolarHBondContact O-CB 3.41Å; K55-F58 PolarHBondContact O-N 3.5Å; E56-F58 PolarHBondContact O-N 3.28Å; F58-Q62 WeakPolarHBondContact O-CG 3.34Å; F58-Y65 HydrophobicContact CB-CD2 4.15Å; F58-Y65 HydrophobicContact CB-CE2 4.43Å; F58-Y65 AromaticContact CD1-CD1 3.94Å; F58-Y65 HydrophobicContact CD1-CD1 3.94Å; F58-Y65 AromaticContact CD1-CD2 3.74Å; F58-Y65 HydrophobicContact CD1-CD2 3.74Å; F58-Y65 HydrophobicContact CD1-CE1 4.5Å; F58-Y65 HydrophobicContact CD1-CE2 4.32Å; F58-Y65 AromaticContact CD1-CG 3.51Å; F58-Y65 HydrophobicContact CD1-CG 3.51Å; F58-Y65 HydrophobicContact CD2-CD1 4.44Å; F58-Y65 HydrophobicContact CD2-CD2 4.02Å; F58-Y65 HydrophobicContact CD2-CE1 4.21Å; F58-Y65 AromaticContact CD2-CE2 3.76Å; F58-Y65 HydrophobicContact CD2-CE2 3.76Å; F58-Y65 HydrophobicContact CD2-CG 4.34Å; F58-Y65 AromaticContact CD2-CZ 3.85Å; F58-Y65 AromaticContact CE1-CD1 3.4Å; F58-Y65 HydrophobicContact CE1-CD1 3.4Å; F58-Y65 VanDerWaalsContact CE1-CD1 3.4Å; F58-Y65 HydrophobicContact CE1-CD2 4.09Å; F58-Y65 AromaticContact CE1-CE1 3.95Å; F58-Y65 HydrophobicContact CE1-CE1 3.95Å; F58-Y65 AromaticContact CE1-CG 3.47Å; F58-Y65 HydrophobicContact CE1-CG 3.47Å; F58-Y65 VanDerWaalsContact CE1-CG 3.47Å; F58-Y65 AromaticContact CE2-CD1 3.96Å; F58-Y65 HydrophobicContact CE2-CD1 3.96Å; F58-Y65 HydrophobicContact CE2-CD2 4.35Å; F58-Y65 AromaticContact CE2-CE1 3.61Å; F58-Y65 HydrophobicContact CE2-CE1 3.61Å; F58-Y65 HydrophobicContact CE2-CE2 4.02Å; F58-Y65 HydrophobicContact CE2-CG 4.31Å; F58-Y65 AromaticContact CE2-CZ 3.62Å; F58-Y65 HydrophobicContact CG-CD1 4.43Å; F58-Y65 AromaticContact CG-CD2 3.7Å; F58-Y65 HydrophobicContact CG-CD2 3.7Å; F58-Y65 AromaticContact CG-CE2 3.92Å; F58-Y65 HydrophobicContact CG-CE2 3.92Å; F58-Y65 AromaticContact CG-CG 3.96Å; F58-Y65 HydrophobicContact CG-CG 3.96Å; F58-Y65 AromaticContact CZ-CD1 3.42Å; F58-Y65 HydrophobicContact CZ-CD1 3.42Å; F58-Y65 VanDerWaalsContact CZ-CD1 3.42Å; F58-Y65 HydrophobicContact CZ-CD2 4.38Å; F58-Y65 AromaticContact CZ-CE1 3.46Å; F58-Y65 HydrophobicContact CZ-CE1 3.46Å; F58-Y65 VanDerWaalsContact CZ-CE1 3.46Å; F58-Y65 HydrophobicContact CZ-CE2 4.41Å; F58-Y65 AromaticContact CZ-CG 3.9Å; F58-Y65 HydrophobicContact CZ-CG 3.9Å; F58-Y65 AromaticContact CZ-CZ 3.97Å; F58-L67 HydrophobicContact CD1-CB 4.04Å; F58-L67 HydrophobicContact CD1-CD2 4.05Å; F58-L67 HydrophobicContact CD1-CG 4.39Å; F58-L67 HydrophobicContact CE1-CB 3.86Å; F58-L67 HydrophobicContact CE1-CD2 3.76Å; F58-L67 HydrophobicContact CE1-CG 4.35Å; F58-Y69 HydrophobicContact CB-CD2 4.01Å
59D91Very high90.2Very high66 Ų6677 Ų7735%0.35338%0.384SS..Hα-helixtrans-73.4-38175.6-163.526.5000111.4E56 D57 Q62 Y69 Y95E56-D59 VanDerWaalsContact O-CB 3.26Å; E56-D59 WeakPolarHBondContact O-CB 3.41Å; E56-D59 PolarHBondContact O-N 3.04Å; D57-D59 PolarHBondContact O-N 3.42Å; D59-Q62 PolarHBondContact O-NE2 3.27Å; D59-Q62 PolarHBondContact OD1-NE2 2.77Å; D59-Y69 HydrophobicContact CB-CD1 3.47Å; D59-Y69 VanDerWaalsContact CB-CD1 3.47Å; D59-Y69 HydrophobicContact CB-CD2 4.04Å; D59-Y69 HydrophobicContact CB-CE1 3.53Å; D59-Y69 HydrophobicContact CB-CE2 4.12Å; D59-Y69 HydrophobicContact CB-CG 3.71Å; D59-Y69 VanDerWaalsContact CG-CD1 3.41Å; D59-Y69 VanDerWaalsContact CG-CE1 3.44Å; D59-Y69 WeakPolarHBondContact OD1-CD1 3.21Å; D59-Y95 PolarHBondContact OD1-OH 3.14Å
60V91.9Very high90.8Very high110 Ų11073.7 Ų73.767%0.66736%0.36SS*.Hα-helixtrans-79.3-41.2-177.5-178.10000111.9D57D57-V60 PolarHBondContact O-N 3.39Å
61N93Very high91.4Very high46 Ų4671.6 Ų71.625%0.24635%0.352CS..  trans-115.748.5-172.8-59.1-60.3000111.4D57 E63 L64 Y65D57-N61 PolarHBondContact O-N 3.29Å; D57-N61 PolarHBondContact OD1-ND2 3.46Å; N61-E63 WeakPolarHBondContact CA-OE2 2.95Å; N61-E63 PolarHBondContact O-N 2.91Å; N61-E63 VanDerWaalsContact O-N 3.09Å; N61-L64 HydrophobicContact CB-CB 4.48Å; N61-L64 HydrophobicContact CB-CD1 3.76Å; N61-L64 HydrophobicContact CB-CG 4.03Å; N61-L64 WeakPolarHBondContact O-CB 3.32Å; N61-L64 PolarHBondContact O-N 3.42Å; N61-Y65 HydrophobicContact CB-CE2 4.36Å; N61-Y65 VanDerWaalsContact O-CD2 3.23Å; N61-Y65 WeakPolarHBondContact O-CD2 3.34Å
62Q90Very high91.8Very high79 Ų7973.8 Ų73.837%0.36936%0.359SS..G310 helixtrans-55-29.9-175.5-72.8-176.720.300113F58 D59 L64 Y65F58-Q62 WeakPolarHBondContact O-CG 3.34Å; D59-Q62 PolarHBondContact O-NE2 3.27Å; D59-Q62 PolarHBondContact OD1-NE2 2.77Å; Q62-L64 PolarHBondContact O-N 2.81Å; Q62-Y65 PolarHBondContact O-N 3.33Å
63E91.5Very high91.9Very high144 Ų14471.2 Ų71.267%0.67335%0.354SS*.G310 helixtrans-66.5-20.2178.375-70.5170.600114.2N61 Y65N61-E63 WeakPolarHBondContact CA-OE2 2.95Å; N61-E63 PolarHBondContact O-N 2.91Å; N61-E63 VanDerWaalsContact O-N 3.09Å; E63-Y65 VanDerWaalsContact C-N 3.33Å
64L93.7Very high91.5Very high116 Ų11669.4 Ų69.461%0.60735%0.346SS*.G310 helixtrans-84.7-10.4178.5-57.1-175.5000112.6N61 Q62N61-L64 HydrophobicContact CB-CB 4.48Å; N61-L64 HydrophobicContact CB-CD1 3.76Å; N61-L64 HydrophobicContact CB-CG 4.03Å; N61-L64 WeakPolarHBondContact O-CB 3.32Å; N61-L64 PolarHBondContact O-N 3.42Å; Q62-L64 PolarHBondContact O-N 2.81Å
65Y93.1Very high90.6Very high71 Ų7169.5 Ų69.528%0.27835%0.346SS..  trans-127.8142.8-170-57.6-69.2000112.3D57 F58 N61 Q62 E63D57-Y65 PolarHBondContact OD2-OH 3.47Å; F58-Y65 HydrophobicContact CB-CD2 4.15Å; F58-Y65 HydrophobicContact CB-CE2 4.43Å; F58-Y65 AromaticContact CD1-CD1 3.94Å; F58-Y65 HydrophobicContact CD1-CD1 3.94Å; F58-Y65 AromaticContact CD1-CD2 3.74Å; F58-Y65 HydrophobicContact CD1-CD2 3.74Å; F58-Y65 HydrophobicContact CD1-CE1 4.5Å; F58-Y65 HydrophobicContact CD1-CE2 4.32Å; F58-Y65 AromaticContact CD1-CG 3.51Å; F58-Y65 HydrophobicContact CD1-CG 3.51Å; F58-Y65 HydrophobicContact CD2-CD1 4.44Å; F58-Y65 HydrophobicContact CD2-CD2 4.02Å; F58-Y65 HydrophobicContact CD2-CE1 4.21Å; F58-Y65 AromaticContact CD2-CE2 3.76Å; F58-Y65 HydrophobicContact CD2-CE2 3.76Å; F58-Y65 HydrophobicContact CD2-CG 4.34Å; F58-Y65 AromaticContact CD2-CZ 3.85Å; F58-Y65 AromaticContact CE1-CD1 3.4Å; F58-Y65 HydrophobicContact CE1-CD1 3.4Å; F58-Y65 VanDerWaalsContact CE1-CD1 3.4Å; F58-Y65 HydrophobicContact CE1-CD2 4.09Å; F58-Y65 AromaticContact CE1-CE1 3.95Å; F58-Y65 HydrophobicContact CE1-CE1 3.95Å; F58-Y65 AromaticContact CE1-CG 3.47Å; F58-Y65 HydrophobicContact CE1-CG 3.47Å; F58-Y65 VanDerWaalsContact CE1-CG 3.47Å; F58-Y65 AromaticContact CE2-CD1 3.96Å; F58-Y65 HydrophobicContact CE2-CD1 3.96Å; F58-Y65 HydrophobicContact CE2-CD2 4.35Å; F58-Y65 AromaticContact CE2-CE1 3.61Å; F58-Y65 HydrophobicContact CE2-CE1 3.61Å; F58-Y65 HydrophobicContact CE2-CE2 4.02Å; F58-Y65 HydrophobicContact CE2-CG 4.31Å; F58-Y65 AromaticContact CE2-CZ 3.62Å; F58-Y65 HydrophobicContact CG-CD1 4.43Å; F58-Y65 AromaticContact CG-CD2 3.7Å; F58-Y65 HydrophobicContact CG-CD2 3.7Å; F58-Y65 AromaticContact CG-CE2 3.92Å; F58-Y65 HydrophobicContact CG-CE2 3.92Å; F58-Y65 AromaticContact CG-CG 3.96Å; F58-Y65 HydrophobicContact CG-CG 3.96Å; F58-Y65 AromaticContact CZ-CD1 3.42Å; F58-Y65 HydrophobicContact CZ-CD1 3.42Å; F58-Y65 VanDerWaalsContact CZ-CD1 3.42Å; F58-Y65 HydrophobicContact CZ-CD2 4.38Å; F58-Y65 AromaticContact CZ-CE1 3.46Å; F58-Y65 HydrophobicContact CZ-CE1 3.46Å; F58-Y65 VanDerWaalsContact CZ-CE1 3.46Å; F58-Y65 HydrophobicContact CZ-CE2 4.41Å; F58-Y65 AromaticContact CZ-CG 3.9Å; F58-Y65 HydrophobicContact CZ-CG 3.9Å; F58-Y65 AromaticContact CZ-CZ 3.97Å; N61-Y65 HydrophobicContact CB-CE2 4.36Å; N61-Y65 VanDerWaalsContact O-CD2 3.23Å; N61-Y65 WeakPolarHBondContact O-CD2 3.34Å; Q62-Y65 PolarHBondContact O-N 3.33Å; E63-Y65 VanDerWaalsContact C-N 3.33Å
66S93.7Very high88.6Confident57 Ų5767.7 Ų67.740%0.39934%0.342SS..SBendtrans-84.8-14.9168.864.60000112.9R108 V109S66-R108 CarbonylContact O-C 3.54Å; S66-R108 WeakPolarHBondContact O-CA 3.32Å; S66-R108 WeakPolarHBondContact O-CD 3.31Å; S66-V109 PolarHBondContact O-N 3.18Å
67L93.5Very high86.6Confident52 Ų5266.9 Ų66.927%0.27235%0.348SS..BIsolated β-bridgetrans-80.8130.3178.8-176.865000110.1V54 F58 G107V54-L67 HydrophobicContact CG1-CD2 3.96Å; V54-L67 HydrophobicContact CG2-CD2 3.99Å; F58-L67 HydrophobicContact CD1-CB 4.04Å; F58-L67 HydrophobicContact CD1-CD2 4.05Å; F58-L67 HydrophobicContact CD1-CG 4.39Å; F58-L67 HydrophobicContact CE1-CB 3.86Å; F58-L67 HydrophobicContact CE1-CD2 3.76Å; F58-L67 HydrophobicContact CE1-CG 4.35Å; L67-G107 CarbonylContact C-O 3.52Å; L67-G107 WeakPolarHBondContact CA-O 3.43Å; L67-G107 WeakPolarHBondContact CD1-O 3.44Å
68L93.3Very high84.2Confident11 Ų1166.6 Ų66.66%0.05836%0.361CS..PPolyproline II helixtrans-70.7130.6169.8-60.1178.9000109.5P104 G107 V109 L112L68-P104 HydrophobicContact CD1-CG 3.83Å; L68-G107 PolarHBondContact N-O 2.91Å; L68-V109 HydrophobicContact CD2-CG1 3.81Å; L68-L112 HydrophobicContact CD1-CD2 3.94Å; L68-L112 HydrophobicContact CD2-CD1 4.48Å; L68-L112 HydrophobicContact CD2-CD2 4.48Å
69Y94.6Very high81.9Confident24 Ų2470.1 Ų70.19%0.09440%0.397CS..PPolyproline II helixtrans-68.9141.6176.8174.5-107.2000111.1V54 F58 D59 P71 Y95V54-Y69 HydrophobicContact CB-CD2 4.08Å; V54-Y69 HydrophobicContact CB-CE2 4.43Å; V54-Y69 HydrophobicContact CG1-CD2 3.83Å; F58-Y69 HydrophobicContact CB-CD2 4.01Å; D59-Y69 HydrophobicContact CB-CD1 3.47Å; D59-Y69 VanDerWaalsContact CB-CD1 3.47Å; D59-Y69 HydrophobicContact CB-CD2 4.04Å; D59-Y69 HydrophobicContact CB-CE1 3.53Å; D59-Y69 HydrophobicContact CB-CE2 4.12Å; D59-Y69 HydrophobicContact CB-CG 3.71Å; D59-Y69 VanDerWaalsContact CG-CD1 3.41Å; D59-Y69 VanDerWaalsContact CG-CE1 3.44Å; D59-Y69 WeakPolarHBondContact OD1-CD1 3.21Å; Y69-P71 HydrophobicContact CE1-CB 4.39Å; Y69-Y95 HydrophobicContact CD1-CE1 4.12Å; Y69-Y95 VanDerWaalsContact O-CE1 3.31Å; Y69-Y95 WeakPolarHBondContact O-CE1 3.3Å
70V93.9Very high80.1Confident8 Ų869.7 Ų69.75%0.04840%0.399CS..  trans-142.1140.3169.1-67.50000109.8V54 F74 N92 Y95 I96V54-V70 HydrophobicContact CG2-CG2 3.87Å; V70-F74 HydrophobicContact CG2-CD2 3.93Å; V70-F74 HydrophobicContact CG2-CE2 4.25Å; V70-N92 HydrophobicContact CB-CB 3.94Å; V70-N92 HydrophobicContact CG1-CB 4.11Å; V70-N92 HydrophobicContact CG2-CB 4.41Å; V70-Y95 HydrophobicContact CG1-CD1 4.43Å; V70-I96 HydrophobicContact CG1-CD1 3.72Å; V70-I96 HydrophobicContact CG1-CG1 3.72Å
71P93.5Very high78.5Confident36 Ų3671 Ų7123%0.23440%0.402CS..SBendtrans-79-21.7-169.326.3-33000115.6K53 Y69 N92 Y95K53-P71 WeakPolarHBondContact CE-O 3.24Å; Y69-P71 HydrophobicContact CE1-CB 4.39Å; P71-N92 WeakPolarHBondContact CD-OD1 3.28Å; P71-Y95 HydrophobicContact CG-CD2 4.15Å; P71-Y95 HydrophobicContact CG-CG 4.25Å
72H92Very high77.7Confident67 Ų6770.2 Ų70.231%0.3140%0.398SS..SBendtrans-106169.6-179.7-46.288.7000111.6G88 K91 N92H72-G88 WeakPolarHBondContact CB-O 3.27Å; H72-K91 WeakPolarHBondContact CE1-CB 3.36Å; H72-N92 VanDerWaalsContact C-ND2 3.26Å; H72-N92 WeakPolarHBondContact CA-OD1 3.34Å; H72-N92 VanDerWaalsContact CB-OD1 3.23Å; H72-N92 WeakPolarHBondContact CB-OD1 3.48Å; H72-N92 PolarHBondContact N-OD1 3.44Å; H72-N92 PolarHBondContact ND1-OD1 3.24Å; H72-N92 PolarHBondContact O-ND2 2.91Å
73E87.4Confident77.5Confident95 Ų9570.7 Ų70.744%0.44440%0.399SS..  trans-66.4152.4175.4-70.3173.2178.600113C51 R52 K53 N92C51-E73 HydrophobicContact CB-CB 4.37Å; C51-E73 HydrophobicContact CB-CG 4.48Å; C51-E73 WeakPolarHBondContact CB-OE2 3.4Å; C51-E73 PolarHBondContact SG-OE2 2.96Å; R52-E73 CarbonylContact O-C 3.56Å; R52-E73 WeakPolarHBondContact O-CA 3.41Å; K53-E73 HydrophobicContact CB-CG 3.83Å; K53-E73 HydrophobicContact CG-CG 4.45Å; E73-N92 PolarHBondContact O-ND2 3.31Å
74F79.9Confident77.1Confident71 Ų7168.5 Ų68.531%0.31140%0.399SS..BIsolated β-bridgetrans-121.9137.1174-119-89.1000111.2R52 V70 M89 N92R52-F74 PolarHBondContact N-O 2.95Å; R52-F74 PolarHBondContact O-N 3.44Å; V70-F74 HydrophobicContact CG2-CD2 3.93Å; V70-F74 HydrophobicContact CG2-CE2 4.25Å; F74-M89 HydrophobicContact CE1-CE 4.4Å; F74-N92 HydrophobicContact CD2-CB 4.26Å; F74-N92 WeakPolarHBondContact CD2-ND2 3.36Å; F74-N92 HydrophobicContact CE2-CB 3.71Å
75I70.2Confident76.8Confident22 Ų2264 Ų6411%0.11338%0.376CS..  trans-147.4153.7162.5-64.2-173.9000107.1W47 C51 M82 M89W47-I75 HydrophobicContact CE3-CG2 3.95Å; W47-I75 HydrophobicContact CZ3-CG2 4.49Å; W47-I75 WeakPolarHBondContact O-CD1 3.38Å; C51-I75 VanDerWaalsContact CA-CD1 3.45Å; C51-I75 HydrophobicContact CB-CD1 3.74Å; C51-I75 HydrophobicContact CB-CG1 3.97Å; C51-I75 VanDerWaalsContact N-CD1 3.26Å; C51-I75 WeakPolarHBondContact SG-CD1 3.41Å; C51-I75 WeakPolarHBondContact SG-CG1 3.26Å; I75-M82 HydrophobicContact CD1-CE 4.38Å; I75-M89 WeakPolarHBondContact O-CE 3.43Å
76I49.8Very low76.5Confident117 Ų11763.2 Ų63.260%0.638%0.379SS*.  trans-118.4150.7169.2-53-168.7000108.8W47W47-I76 VanDerWaalsContact CZ3-O 3.3Å; W47-I76 WeakPolarHBondContact CZ3-O 3.23Å
77P48.6Very low76.4Confident108 Ų10862.9 Ų62.970%0.70137%0.371SS*.  cis-125.8-175.6-47.439.5-21.2000111.7
78G43.5Very low76.3Confident63 Ų6360.8 Ų60.865%0.64936%0.362SS*.  trans114.3116.6154.500000115.5S80G78-S80 PolarHBondContact O-N 3.47Å; G78-S80 VanDerWaalsContact O-N 3.07Å
79A41.7Very low76.2Confident109 Ų10962.1 Ų62.190%0.90137%0.368SS*.  trans-51110.5179.100000112.7
80S53.6Low76.2Confident58 Ų5861.2 Ų61.241%0.40637%0.365SS..SBendtrans-153.781.6151500000107.7H44 G78 M82H44-S80 PolarHBondContact CE1-O 3.02Å; H44-S80 PolarHBondContact ND1-OG 2.72Å; G78-S80 PolarHBondContact O-N 3.47Å; G78-S80 VanDerWaalsContact O-N 3.07Å; S80-M82 VanDerWaalsContact C-N 3.29Å; S80-M82 PolarHBondContact O-N 2.73Å; S80-M82 VanDerWaalsContact O-N 3.07Å
81N58.8Low76.3Confident138 Ų13863 Ų6374%0.73837%0.373SS*.SBendtrans6410.3172-60.3-29.4000118.6F83N81-F83 VanDerWaalsContact C-N 3.26Å; N81-F83 PolarHBondContact O-N 2.97Å; N81-F83 VanDerWaalsContact O-N 3.1Å
82M76.5Confident76.3Confident29 Ų2961.3 Ų61.314%0.14336%0.361CS..  trans-86.250.6175.6-63.8-179.859.100113.1L48 I75 S80 S84 T85 V86L48-M82 HydrophobicContact CD2-CE 3.49Å; L48-M82 VanDerWaalsContact CD2-CE 3.49Å; L48-M82 HydrophobicContact CD2-CG 4.22Å; L48-M82 HydrophobicContact CD2-SD 3.95Å; L48-M82 HydrophobicContact CG-CE 4.46Å; I75-M82 HydrophobicContact CD1-CE 4.38Å; S80-M82 VanDerWaalsContact C-N 3.29Å; S80-M82 PolarHBondContact O-N 2.73Å; S80-M82 VanDerWaalsContact O-N 3.07Å; M82-S84 VanDerWaalsContact C-N 3.31Å; M82-S84 PolarHBondContact O-N 2.78Å; M82-T85 HydrophobicContact CE-CG2 3.87Å; M82-T85 VanDerWaalsContact CE-OG1 3.28Å; M82-T85 WeakPolarHBondContact CE-OG1 3.42Å; M82-T85 PolarHBondContact O-N 3.41Å; M82-T85 VanDerWaalsContact O-N 3.16Å; M82-V86 WeakPolarHBondContact O-CG2 3.23Å; M82-V86 PolarHBondContact O-N 2.59Å
83F84.2Confident76.5Confident89 Ų8958.8 Ų58.839%0.3935%0.35SS..Hα-helixtrans-58.2-40.7-175.5-66.8-67.2000113.1N81 T85 V86 H87 Y127 V130 T131N81-F83 VanDerWaalsContact C-N 3.26Å; N81-F83 PolarHBondContact O-N 2.97Å; N81-F83 VanDerWaalsContact O-N 3.1Å; F83-T85 PolarHBondContact O-N 2.95Å; F83-V86 PolarHBondContact O-N 3.1Å; F83-H87 VanDerWaalsContact O-CB 3.24Å; F83-H87 WeakPolarHBondContact O-CB 3.38Å; F83-H87 PolarHBondContact O-N 3.34Å; F83-Y127 HydrophobicContact CD1-CE2 4.45Å; F83-V130 HydrophobicContact CE1-CB 4.39Å; F83-V130 HydrophobicContact CE1-CG1 3.56Å; F83-V130 HydrophobicContact CZ-CG1 3.75Å; F83-T131 HydrophobicContact CD1-CG2 3.45Å; F83-T131 VanDerWaalsContact CD1-CG2 3.45Å; F83-T131 HydrophobicContact CE1-CG2 3.72Å; F83-T131 HydrophobicContact CG-CG2 4.24Å
84S84.6Confident76.9Confident98 Ų9854.7 Ų54.769%0.68533%0.333SS*.Hα-helixtrans-62.7-40.4177.753.40000112.6M82 G88M82-S84 VanDerWaalsContact C-N 3.31Å; M82-S84 PolarHBondContact O-N 2.78Å; S84-G88 PolarHBondContact O-N 2.95Å
85T85.7Confident77.7Confident20 Ų2054 Ų5412%0.12333%0.328CS..Hα-helixtrans-68.4-46.3177.3-50.30000110.9M82 F83 H87 G88 M89M82-T85 HydrophobicContact CE-CG2 3.87Å; M82-T85 VanDerWaalsContact CE-OG1 3.28Å; M82-T85 WeakPolarHBondContact CE-OG1 3.42Å; M82-T85 PolarHBondContact O-N 3.41Å; M82-T85 VanDerWaalsContact O-N 3.16Å; F83-T85 PolarHBondContact O-N 2.95Å; T85-H87 VanDerWaalsContact C-N 3.31Å; T85-H87 PolarHBondContact O-N 3.18Å; T85-G88 PolarHBondContact O-N 2.89Å; T85-M89 HydrophobicContact CG2-SD 4.3Å; T85-M89 VanDerWaalsContact O-CG 3.32Å; T85-M89 WeakPolarHBondContact O-CG 3.44Å; T85-M89 PolarHBondContact O-N 2.85Å
86V88.1Confident79Confident56 Ų5653.5 Ų53.534%0.33933%0.326SS..Hα-helixtrans-60.1-44.5177.2176.40000110.6M82 F83 G88 M89 I90 Y127M82-V86 WeakPolarHBondContact O-CG2 3.23Å; M82-V86 PolarHBondContact O-N 2.59Å; F83-V86 PolarHBondContact O-N 3.1Å; V86-G88 PolarHBondContact O-N 3.37Å; V86-M89 PolarHBondContact O-N 3.37Å; V86-I90 HydrophobicContact CG1-CD1 3.83Å; V86-I90 HydrophobicContact CG1-CG1 4.36Å; V86-I90 WeakPolarHBondContact O-CG1 3.41Å; V86-I90 PolarHBondContact O-N 3.43Å; V86-Y127 HydrophobicContact CB-CD2 4.2Å; V86-Y127 HydrophobicContact CB-CE2 4.42Å; V86-Y127 HydrophobicContact CG1-CD2 3.61Å; V86-Y127 HydrophobicContact CG1-CE2 4.29Å
87H90.8Very high81.2Confident49 Ų4948 Ų4823%0.22730%0.297CS..Hα-helixtrans-57.2-47.8174.9175.6-87.2000111.9F83 T85 M89 I90 K91 Y127 F136F83-H87 VanDerWaalsContact O-CB 3.24Å; F83-H87 WeakPolarHBondContact O-CB 3.38Å; F83-H87 PolarHBondContact O-N 3.34Å; T85-H87 VanDerWaalsContact C-N 3.31Å; T85-H87 PolarHBondContact O-N 3.18Å; H87-M89 PolarHBondContact O-N 2.97Å; H87-I90 PolarHBondContact O-N 3.37Å; H87-K91 WeakPolarHBondContact CE1-CE 3.39Å; H87-K91 WeakPolarHBondContact NE2-CE 3.39Å; H87-K91 WeakPolarHBondContact O-CG 3.34Å; H87-K91 PolarHBondContact O-N 3.27Å; H87-Y127 HydrophobicContact CB-CE2 4Å; H87-F136 AromaticContact CD2-CD1 3.8Å; H87-F136 AromaticContact CD2-CD2 3.7Å; H87-F136 AromaticContact CD2-CE1 3.57Å; H87-F136 AromaticContact CD2-CE2 3.53Å; H87-F136 AromaticContact CD2-CG 3.82Å; H87-F136 AromaticContact CD2-CZ 3.41Å; H87-F136 VanDerWaalsContact CD2-CZ 3.41Å; H87-F136 WeakPolarHBondContact CD2-CZ 3.19Å; H87-F136 AromaticContact CG-CZ 3.95Å; H87-F136 AromaticContact NE2-CD2 3.47Å; H87-F136 WeakPolarHBondContact NE2-CD2 3.36Å; H87-F136 AromaticContact NE2-CE2 3.43Å; H87-F136 WeakPolarHBondContact NE2-CE2 3.45Å; H87-F136 AromaticContact NE2-CG 3.97Å; H87-F136 AromaticContact NE2-CZ 3.83Å
88G91.8Very high83.5Confident9 Ų946.7 Ų46.79%0.09328%0.284CS..Hα-helixtrans-61.3-39.5175.500000113.7H72 S84 T85 V86 K91 N92H72-G88 WeakPolarHBondContact CB-O 3.27Å; S84-G88 PolarHBondContact O-N 2.95Å; T85-G88 PolarHBondContact O-N 2.89Å; V86-G88 PolarHBondContact O-N 3.37Å; G88-K91 PolarHBondContact O-N 3.18Å; G88-N92 PolarHBondContact O-N 2.98Å
89M91.6Very high86Confident38 Ų3848.2 Ų48.219%0.18728%0.276CS..Hα-helixtrans-65.6-43.8176.1-70.7173.46600112.2F74 I75 T85 V86 H87 K91 N92 I93F74-M89 HydrophobicContact CE1-CE 4.4Å; I75-M89 WeakPolarHBondContact O-CE 3.43Å; T85-M89 HydrophobicContact CG2-SD 4.3Å; T85-M89 VanDerWaalsContact O-CG 3.32Å; T85-M89 WeakPolarHBondContact O-CG 3.44Å; T85-M89 PolarHBondContact O-N 2.85Å; V86-M89 PolarHBondContact O-N 3.37Å; H87-M89 PolarHBondContact O-N 2.97Å; M89-K91 VanDerWaalsContact C-N 3.29Å; M89-K91 PolarHBondContact O-N 2.89Å; M89-N92 WeakPolarHBondContact O-CB 3.32Å; M89-N92 PolarHBondContact O-N 3.44Å; M89-N92 VanDerWaalsContact O-N 3.13Å; M89-I93 WeakPolarHBondContact O-CG1 3.27Å; M89-I93 PolarHBondContact O-N 3.42Å
90I94.5Very high88.5Confident5 Ų545.4 Ų45.43%0.02624%0.244CC..Hα-helixtrans-61.6-41176-69.3171.9000109.9V86 H87 N92 I93 A94 F120 V124 Y127 F136 L140V86-I90 HydrophobicContact CG1-CD1 3.83Å; V86-I90 HydrophobicContact CG1-CG1 4.36Å; V86-I90 WeakPolarHBondContact O-CG1 3.41Å; V86-I90 PolarHBondContact O-N 3.43Å; H87-I90 PolarHBondContact O-N 3.37Å; I90-N92 VanDerWaalsContact C-N 3.35Å; I90-N92 PolarHBondContact O-N 3.44Å; I90-I93 PolarHBondContact O-N 3.43Å; I90-A94 PolarHBondContact O-N 3.22Å; I90-F120 HydrophobicContact CG2-CE2 4.14Å; I90-V124 HydrophobicContact CG2-CG2 3.98Å; I90-Y127 HydrophobicContact CD1-CD2 4.14Å; I90-Y127 HydrophobicContact CD1-CG 3.85Å; I90-F136 HydrophobicContact CB-CE1 4.16Å; I90-F136 HydrophobicContact CB-CZ 3.91Å; I90-F136 HydrophobicContact CD1-CE1 4.21Å; I90-F136 HydrophobicContact CG2-CE1 3.83Å; I90-F136 HydrophobicContact CG2-CZ 3.62Å; I90-L140 HydrophobicContact CG2-CD1 3.3Å; I90-L140 HydrophobicContact CG2-CD2 3.99Å; I90-L140 HydrophobicContact CG2-CG 4.3Å
91K95.3Very high90.5Very high47 Ų4746.1 Ų46.120%0.20425%0.246CC..Hα-helixtrans-62.8-38.1172.7-72.5-162.2171.3-158.10113H72 H87 G88 M89 A94 Y95 F136 E139H72-K91 WeakPolarHBondContact CE1-CB 3.36Å; H87-K91 WeakPolarHBondContact CE1-CE 3.39Å; H87-K91 WeakPolarHBondContact NE2-CE 3.39Å; H87-K91 WeakPolarHBondContact O-CG 3.34Å; H87-K91 PolarHBondContact O-N 3.27Å; G88-K91 PolarHBondContact O-N 3.18Å; M89-K91 VanDerWaalsContact C-N 3.29Å; M89-K91 PolarHBondContact O-N 2.89Å; K91-A94 PolarHBondContact O-N 3.47Å; K91-Y95 WeakPolarHBondContact O-CB 3.28Å; K91-Y95 PolarHBondContact O-N 2.82Å; K91-F136 HydrophobicContact CD-CE2 4.21Å; K91-F136 HydrophobicContact CG-CE2 3.68Å; K91-F136 HydrophobicContact CG-CZ 4.02Å; K91-E139 WeakPolarHBondContact CE-OE1 3.22Å; K91-E139 VanDerWaalsContact NZ-CD 3.27Å; K91-E139 IonicContact NZ-OE1 3.8Å; K91-E139 PolarHBondContact NZ-OE1 3.13Å; K91-E139 IonicContact NZ-OE2 3.34Å; K91-E139 PolarHBondContact NZ-OE2 3.49Å
92N94.7Very high92.3Very high0 Ų040.5 Ų40.50%022%0.215CC..Hα-helixtrans-65.1-39173.5-76.3-15.2000112.7V70 P71 H72 E73 F74 G88 M89 I90 Y95 I96V70-N92 HydrophobicContact CB-CB 3.94Å; V70-N92 HydrophobicContact CG1-CB 4.11Å; V70-N92 HydrophobicContact CG2-CB 4.41Å; P71-N92 WeakPolarHBondContact CD-OD1 3.28Å; H72-N92 VanDerWaalsContact C-ND2 3.26Å; H72-N92 WeakPolarHBondContact CA-OD1 3.34Å; H72-N92 VanDerWaalsContact CB-OD1 3.23Å; H72-N92 WeakPolarHBondContact CB-OD1 3.48Å; H72-N92 PolarHBondContact N-OD1 3.44Å; H72-N92 PolarHBondContact ND1-OD1 3.24Å; H72-N92 PolarHBondContact O-ND2 2.91Å; E73-N92 PolarHBondContact O-ND2 3.31Å; F74-N92 HydrophobicContact CD2-CB 4.26Å; F74-N92 WeakPolarHBondContact CD2-ND2 3.36Å; F74-N92 HydrophobicContact CE2-CB 3.71Å; G88-N92 PolarHBondContact O-N 2.98Å; M89-N92 WeakPolarHBondContact O-CB 3.32Å; M89-N92 PolarHBondContact O-N 3.44Å; M89-N92 VanDerWaalsContact O-N 3.13Å; I90-N92 VanDerWaalsContact C-N 3.35Å; I90-N92 PolarHBondContact O-N 3.44Å; N92-Y95 WeakPolarHBondContact O-CB 3.31Å; N92-Y95 PolarHBondContact O-N 2.91Å; N92-I96 WeakPolarHBondContact O-CG1 3.47Å; N92-I96 PolarHBondContact O-N 2.9Å
93I95.1Very high93.2Very high14 Ų1439.5 Ų39.57%0.07221%0.21CC..Hα-helixtrans-64.5-46175.6-69.7170.6000110.1M89 I90 Y95 I96 V97 I103 F120 M123M89-I93 WeakPolarHBondContact O-CG1 3.27Å; M89-I93 PolarHBondContact O-N 3.42Å; I90-I93 PolarHBondContact O-N 3.43Å; I93-Y95 VanDerWaalsContact C-N 3.3Å; I93-Y95 PolarHBondContact O-N 2.73Å; I93-I96 PolarHBondContact O-N 3.27Å; I93-I96 VanDerWaalsContact O-N 3.16Å; I93-V97 WeakPolarHBondContact O-CG2 3.37Å; I93-V97 PolarHBondContact O-N 3.49Å; I93-I103 HydrophobicContact CG2-CD1 3.25Å; I93-I103 HydrophobicContact CG2-CG1 3.83Å; I93-F120 HydrophobicContact CB-CD2 4.22Å; I93-F120 HydrophobicContact CB-CE2 4.12Å; I93-F120 HydrophobicContact CG2-CB 4.41Å; I93-F120 HydrophobicContact CG2-CD1 4.27Å; I93-F120 HydrophobicContact CG2-CD2 3.36Å; I93-F120 HydrophobicContact CG2-CE1 4.45Å; I93-F120 HydrophobicContact CG2-CE2 3.59Å; I93-F120 HydrophobicContact CG2-CG 3.75Å; I93-F120 HydrophobicContact CG2-CZ 4.15Å; I93-M123 HydrophobicContact CD1-CE 4.44Å; I93-M123 HydrophobicContact CD1-SD 3.51Å; I93-M123 VanDerWaalsContact CD1-SD 3.51Å
94A96.8Very high93.7Very high9 Ų935.4 Ų35.47%0.07419%0.192CC..Hα-helixtrans-56.7-45.3174.300000111.6I90 K91 I96 V97 D98 F120 L140 A143I90-A94 PolarHBondContact O-N 3.22Å; K91-A94 PolarHBondContact O-N 3.47Å; A94-I96 PolarHBondContact O-N 3.49Å; A94-V97 PolarHBondContact O-N 2.99Å; A94-D98 PolarHBondContact O-N 2.7Å; A94-F120 HydrophobicContact CB-CZ 3.93Å; A94-L140 HydrophobicContact CB-CD2 3.65Å; A94-A143 HydrophobicContact CB-CB 3.87Å
95Y96.4Very high94Very high56 Ų5632.8 Ų32.822%0.2217%0.171CC..Hα-helixtrans-57.1-45.7174.9-178.8-91.7000112.5D59 Y69 V70 P71 K91 N92 I93 V97 D98 M99D59-Y95 PolarHBondContact OD1-OH 3.14Å; Y69-Y95 HydrophobicContact CD1-CE1 4.12Å; Y69-Y95 VanDerWaalsContact O-CE1 3.31Å; Y69-Y95 WeakPolarHBondContact O-CE1 3.3Å; V70-Y95 HydrophobicContact CG1-CD1 4.43Å; P71-Y95 HydrophobicContact CG-CD2 4.15Å; P71-Y95 HydrophobicContact CG-CG 4.25Å; K91-Y95 WeakPolarHBondContact O-CB 3.28Å; K91-Y95 PolarHBondContact O-N 2.82Å; N92-Y95 WeakPolarHBondContact O-CB 3.31Å; N92-Y95 PolarHBondContact O-N 2.91Å; I93-Y95 VanDerWaalsContact C-N 3.3Å; I93-Y95 PolarHBondContact O-N 2.73Å; Y95-V97 PolarHBondContact O-N 2.71Å; Y95-D98 PolarHBondContact O-N 3.41Å; Y95-M99 HydrophobicContact CD1-CG 4.26Å; Y95-M99 HydrophobicContact CE1-CG 3.86Å; Y95-M99 HydrophobicContact CE2-CG 4.44Å; Y95-M99 WeakPolarHBondContact O-CG 3.47Å; Y95-M99 PolarHBondContact O-N 3.45Å
96I96.2Very high94.2Very high12 Ų1233 Ų336%0.06218%0.177CC..Hα-helixtrans-61.5-45.5176.9-71.7167.7000110.9V70 N92 I93 A94 D98 M99 H100 I103 P104V70-I96 HydrophobicContact CG1-CD1 3.72Å; V70-I96 HydrophobicContact CG1-CG1 3.72Å; N92-I96 WeakPolarHBondContact O-CG1 3.47Å; N92-I96 PolarHBondContact O-N 2.9Å; I93-I96 PolarHBondContact O-N 3.27Å; I93-I96 VanDerWaalsContact O-N 3.16Å; A94-I96 PolarHBondContact O-N 3.49Å; I96-D98 VanDerWaalsContact C-N 3.27Å; I96-D98 PolarHBondContact O-N 2.81Å; I96-M99 PolarHBondContact O-N 3Å; I96-H100 WeakPolarHBondContact O-CB 3.39Å; I96-H100 PolarHBondContact O-N 3.49Å; I96-I103 HydrophobicContact CG2-CG2 4.43Å; I96-P104 VanDerWaalsContact CG2-CD 3.45Å; I96-P104 HydrophobicContact CG2-CG 4.3Å
97V97.3Very high94.4Very high0 Ų031.8 Ų31.80%018%0.176CC..Hα-helixtrans-62.6-37.1177172.60000110.9I93 A94 Y95 M99 V101 I103 F120 A143 K146 E147I93-V97 WeakPolarHBondContact O-CG2 3.37Å; I93-V97 PolarHBondContact O-N 3.49Å; A94-V97 PolarHBondContact O-N 2.99Å; Y95-V97 PolarHBondContact O-N 2.71Å; V97-M99 VanDerWaalsContact C-N 3.34Å; V97-M99 PolarHBondContact O-N 3.41Å; V97-V101 WeakPolarHBondContact O-CA 3.32Å; V97-V101 PolarHBondContact O-N 3.49Å; V97-I103 HydrophobicContact CG2-CD1 4.24Å; V97-I103 HydrophobicContact CG2-CG1 3.47Å; V97-I103 VanDerWaalsContact CG2-CG1 3.47Å; V97-F120 HydrophobicContact CG2-CD1 4.23Å; V97-F120 HydrophobicContact CG2-CE1 4.24Å; V97-A143 HydrophobicContact CG1-CB 4.41Å; V97-A143 VanDerWaalsContact CG1-O 3.31Å; V97-A143 WeakPolarHBondContact CG1-O 3.2Å; V97-K146 HydrophobicContact CG1-CB 4.09Å; V97-K146 HydrophobicContact CG1-CD 4.03Å; V97-K146 HydrophobicContact CG1-CG 4.13Å; V97-K146 WeakPolarHBondContact O-CD 3.16Å; V97-E147 HydrophobicContact CG1-CB 4.02Å; V97-E147 HydrophobicContact CG2-CB 4.31Å
98D97.1Very high94.5Very high81 Ų8133.7 Ų33.743%0.43318%0.181SC..Hα-helixtrans-65.5-37.7176.8-77.1-30.3000113A94 Y95 I96 K146A94-D98 PolarHBondContact O-N 2.7Å; Y95-D98 PolarHBondContact O-N 3.41Å; I96-D98 VanDerWaalsContact C-N 3.27Å; I96-D98 PolarHBondContact O-N 2.81Å; D98-K146 IonicContact OD1-NZ 2.96Å; D98-K146 PolarHBondContact OD1-NZ 2.98Å
99M95.1Very high94.6Very high96 Ų9636.1 Ų36.147%0.47319%0.194SC..Hα-helixtrans-81.4-34.4-179.7-66.5-58.2-66.700113.7Y95 I96 V97Y95-M99 HydrophobicContact CD1-CG 4.26Å; Y95-M99 HydrophobicContact CE1-CG 3.86Å; Y95-M99 HydrophobicContact CE2-CG 4.44Å; Y95-M99 WeakPolarHBondContact O-CG 3.47Å; Y95-M99 PolarHBondContact O-N 3.45Å; I96-M99 PolarHBondContact O-N 3Å; V97-M99 VanDerWaalsContact C-N 3.34Å; V97-M99 PolarHBondContact O-N 3.41Å
100H95.2Very high94.6Very high50 Ų5037.8 Ų37.823%0.23120%0.198CC..Hα-helixtrans-124.73.9-168.9-60.2-57000114.6I96 F102 L112I96-H100 WeakPolarHBondContact O-CB 3.39Å; I96-H100 PolarHBondContact O-N 3.49Å; H100-F102 WeakPolarHBondContact O-CD1 3.49Å; H100-F102 PolarHBondContact O-N 3.14Å; H100-L112 HydrophobicContact CB-CD2 4.06Å
101V95.4Very high94.6Very high73 Ų7338.8 Ų38.844%0.44220%0.203SC..SBendtrans70.6-20.3177.8-178.20000114.6V97 K146 F150V97-V101 WeakPolarHBondContact O-CA 3.32Å; V97-V101 PolarHBondContact O-N 3.49Å; V101-K146 HydrophobicContact CG1-CG 4.4Å; V101-F150 HydrophobicContact CG1-CB 4.04Å; V101-F150 HydrophobicContact CG1-CD2 4.29Å
102F95.5Very high94.5Very high20 Ų2039 Ų399%0.08821%0.205CC..SBendtrans-149.2168.5176.669.9-83.1000110.5H100 P104 L112 F150H100-F102 WeakPolarHBondContact O-CD1 3.49Å; H100-F102 PolarHBondContact O-N 3.14Å; F102-P104 HydrophobicContact CE2-CB 4.31Å; F102-P104 WeakPolarHBondContact O-CD 3.32Å; F102-L112 WeakPolarHBondContact CZ-O 3.31Å; F102-F150 HydrophobicContact CB-CB 4.4Å; F102-F150 HydrophobicContact CB-CD1 3.49Å; F102-F150 VanDerWaalsContact CB-CD1 3.49Å; F102-F150 HydrophobicContact CB-CD2 3.95Å; F102-F150 HydrophobicContact CB-CE1 3.59Å; F102-F150 HydrophobicContact CB-CE2 4.02Å; F102-F150 HydrophobicContact CB-CG 3.67Å; F102-F150 HydrophobicContact CB-CZ 3.85Å; F102-F150 AromaticContact CD1-CD2 3.95Å; F102-F150 HydrophobicContact CD1-CD2 3.95Å; F102-F150 HydrophobicContact CD1-CE1 4.43Å; F102-F150 AromaticContact CD1-CE2 3.52Å; F102-F150 HydrophobicContact CD1-CE2 3.52Å; F102-F150 AromaticContact CD1-CZ 3.79Å; F102-F150 HydrophobicContact CD1-CZ 3.79Å; F102-F150 HydrophobicContact CD2-CE1 4.27Å; F102-F150 HydrophobicContact CD2-CZ 4.07Å; F102-F150 HydrophobicContact CE1-CE2 4.15Å; F102-F150 HydrophobicContact CE1-CZ 4.38Å; F102-F150 HydrophobicContact CG-CD1 4.22Å; F102-F150 HydrophobicContact CG-CD2 4.19Å; F102-F150 AromaticContact CG-CE1 3.85Å; F102-F150 HydrophobicContact CG-CE1 3.85Å; F102-F150 AromaticContact CG-CE2 3.81Å; F102-F150 HydrophobicContact CG-CE2 3.81Å; F102-F150 HydrophobicContact CG-CG 4.38Å; F102-F150 AromaticContact CG-CZ 3.62Å; F102-F150 HydrophobicContact CG-CZ 3.62Å
103I95Very high94.4Very high8 Ų844.2 Ų44.24%0.04123%0.228CC..  trans-89117176-46.5164.7000109.7I93 I96 V97 S115 Q116 F120 E147I93-I103 HydrophobicContact CG2-CD1 3.25Å; I93-I103 HydrophobicContact CG2-CG1 3.83Å; I96-I103 HydrophobicContact CG2-CG2 4.43Å; V97-I103 HydrophobicContact CG2-CD1 4.24Å; V97-I103 HydrophobicContact CG2-CG1 3.47Å; V97-I103 VanDerWaalsContact CG2-CG1 3.47Å; I103-S115 WeakPolarHBondContact O-CA 3.45Å; I103-Q116 HydrophobicContact CB-CG 4.06Å; I103-Q116 HydrophobicContact CG2-CG 4.13Å; I103-Q116 PolarHBondContact O-N 2.94Å; I103-F120 HydrophobicContact CD1-CB 3.73Å; I103-F120 HydrophobicContact CD1-CG 4.11Å; I103-E147 VanDerWaalsContact CD1-OE1 3.22Å; I103-E147 WeakPolarHBondContact CD1-OE1 3.42Å; I103-E147 VanDerWaalsContact CG1-OE1 3.31Å; I103-E147 WeakPolarHBondContact CG1-OE1 3.47Å
104P94.9Very high94.2Very high2 Ų243.9 Ų43.91%0.01323%0.226CC..BIsolated β-bridgetrans-69.8160.5175.430.1-32.9000111.2L68 I96 F102 G106 F111 L112 R114L68-P104 HydrophobicContact CD1-CG 3.83Å; I96-P104 VanDerWaalsContact CG2-CD 3.45Å; I96-P104 HydrophobicContact CG2-CG 4.3Å; F102-P104 HydrophobicContact CE2-CB 4.31Å; F102-P104 WeakPolarHBondContact O-CD 3.32Å; P104-G106 WeakPolarHBondContact CG-O 3.01Å; P104-G106 PolarHBondContact O-N 3.34Å; P104-F111 HydrophobicContact CB-CB 4.08Å; P104-F111 WeakPolarHBondContact CB-O 3.46Å; P104-L112 HydrophobicContact CB-CD2 4.48Å; P104-L112 HydrophobicContact CG-CD2 4.35Å; P104-R114 CarbonylContact C-O 3.26Å; P104-R114 WeakPolarHBondContact CA-O 3.32Å
105N91.7Very high94.1Very high44 Ų4443.5 Ų43.524%0.23522%0.223CC..SBendtrans-56.4-12178.3-162.958.4000115.3R114 V207N105-R114 HydrophobicContact CB-CB 4.29Å; N105-R114 PolarHBondContact N-O 3.5Å; N105-V207 VanDerWaalsContact ND2-CG1 3.32Å; N105-V207 WeakPolarHBondContact ND2-CG1 3.37Å
106G90.6Very high93.9Very high24 Ų2442.8 Ų42.825%0.24722%0.222CC..SBendtrans-174171.5168.600000109.9P104 R108P104-G106 WeakPolarHBondContact CG-O 3.01Å; P104-G106 PolarHBondContact O-N 3.34Å; G106-R108 PolarHBondContact O-N 3.47Å
107G91.5Very high93.7Very high31 Ų3143.9 Ų43.932%0.3223%0.23SC..SBendtrans-73.345.3-176.800000114.5L67 L68L67-G107 CarbonylContact C-O 3.52Å; L67-G107 WeakPolarHBondContact CA-O 3.43Å; L67-G107 WeakPolarHBondContact CD1-O 3.44Å; L68-G107 PolarHBondContact N-O 2.91Å
108R93.1Very high93.5Very high89 Ų8946.9 Ų46.934%0.33625%0.249SC..BIsolated β-bridgetrans-124.1141.6-179.2-62.9-71.6-170.9-127.4-4.7111.9S66 G106 Y110 F111S66-R108 CarbonylContact O-C 3.54Å; S66-R108 WeakPolarHBondContact O-CA 3.32Å; S66-R108 WeakPolarHBondContact O-CD 3.31Å; G106-R108 PolarHBondContact O-N 3.47Å; R108-Y110 HydrophobicContact CB-CD1 4.04Å; R108-Y110 HydrophobicContact CB-CD2 4.41Å; R108-Y110 HydrophobicContact CB-CE1 3.64Å; R108-Y110 HydrophobicContact CB-CE2 4.07Å; R108-Y110 HydrophobicContact CB-CG 4.39Å; R108-Y110 HydrophobicContact CG-CE1 3.97Å; R108-Y110 HydrophobicContact CG-CE2 4.41Å; R108-Y110 PolarHBondContact O-N 3.42Å; R108-F111 HydrophobicContact CB-CD2 3.83Å; R108-F111 HydrophobicContact CB-CE2 4.2Å; R108-F111 HydrophobicContact CB-CG 4.18Å; R108-F111 HydrophobicContact CG-CD2 4.26Å; R108-F111 HydrophobicContact CG-CE2 4.19Å; R108-F111 WeakPolarHBondContact O-CB 3.41Å; R108-F111 PolarHBondContact O-N 3.29Å
109V93.8Very high93.4Very high60 Ų6047.4 Ų47.436%0.36425%0.251SS..G310 helixtrans-56.4-35.7-179.9-63.50000113.2S66 L68 F111 L112S66-V109 PolarHBondContact O-N 3.18Å; L68-V109 HydrophobicContact CD2-CG1 3.81Å; V109-F111 PolarHBondContact O-N 2.98Å; V109-L112 WeakPolarHBondContact O-CB 3.48Å; V109-L112 VanDerWaalsContact O-CG 3.25Å; V109-L112 WeakPolarHBondContact O-CG 3.37Å; V109-L112 PolarHBondContact O-N 3.46Å
110Y91.8Very high93.4Very high72 Ų7242.8 Ų42.828%0.28223%0.229SC..G310 helixtrans-77.1-6178.652.8-93000113.7R108 P177 E178R108-Y110 HydrophobicContact CB-CD1 4.04Å; R108-Y110 HydrophobicContact CB-CD2 4.41Å; R108-Y110 HydrophobicContact CB-CE1 3.64Å; R108-Y110 HydrophobicContact CB-CE2 4.07Å; R108-Y110 HydrophobicContact CB-CG 4.39Å; R108-Y110 HydrophobicContact CG-CE1 3.97Å; R108-Y110 HydrophobicContact CG-CE2 4.41Å; R108-Y110 PolarHBondContact O-N 3.42Å; Y110-P177 HydrophobicContact CD2-CB 4.41Å; Y110-P177 HydrophobicContact CG-CB 4.38Å; Y110-P177 HydrophobicContact CG-CG 4.5Å; Y110-E178 HydrophobicContact CE2-CB 4.13Å
111F93.8Very high93.4Very high27 Ų2744.3 Ų44.312%0.11824%0.237CC..G310 helixtrans-91.9-1.2171.8-63.8-18.9000113.3P104 R108 V109 F113 R114 E178P104-F111 HydrophobicContact CB-CB 4.08Å; P104-F111 WeakPolarHBondContact CB-O 3.46Å; R108-F111 HydrophobicContact CB-CD2 3.83Å; R108-F111 HydrophobicContact CB-CE2 4.2Å; R108-F111 HydrophobicContact CB-CG 4.18Å; R108-F111 HydrophobicContact CG-CD2 4.26Å; R108-F111 HydrophobicContact CG-CE2 4.19Å; R108-F111 WeakPolarHBondContact O-CB 3.41Å; R108-F111 PolarHBondContact O-N 3.29Å; V109-F111 PolarHBondContact O-N 2.98Å; F111-F113 PolarHBondContact O-N 3.09Å; F111-R114 PolarHBondContact O-N 3.22Å; F111-E178 HydrophobicContact CE1-CG 4.38Å
112L93.6Very high93.4Very high50 Ų5047.7 Ų47.726%0.26224%0.242SC..THydrogen-bonded Turntrans-65.62.2177.7-65.6177.1000114.8L68 H100 F102 P104 V109L68-L112 HydrophobicContact CD1-CD2 3.94Å; L68-L112 HydrophobicContact CD2-CD1 4.48Å; L68-L112 HydrophobicContact CD2-CD2 4.48Å; H100-L112 HydrophobicContact CB-CD2 4.06Å; F102-L112 WeakPolarHBondContact CZ-O 3.31Å; P104-L112 HydrophobicContact CB-CD2 4.48Å; P104-L112 HydrophobicContact CG-CD2 4.35Å; V109-L112 WeakPolarHBondContact O-CB 3.48Å; V109-L112 VanDerWaalsContact O-CG 3.25Å; V109-L112 WeakPolarHBondContact O-CG 3.37Å; V109-L112 PolarHBondContact O-N 3.46Å
113F91.6Very high93.3Very high110 Ų11050.1 Ų50.148%0.48226%0.255SS..THydrogen-bonded Turntrans-1070.8170.9-49-75.6000112.9F111 S170 D171F111-F113 PolarHBondContact O-N 3.09Å; F113-S170 WeakPolarHBondContact O-CA 3.43Å; F113-S170 PolarHBondContact O-OG 3.22Å; F113-D171 PolarHBondContact O-N 3.03Å
114R92.5Very high93.3Very high8 Ų850.4 Ų50.43%0.0326%0.257CS..  trans-132.7117.6-173.4-66.6-165.7-52.4-160.79.9110.6P104 N105 F111 S170 E178 A204 E208P104-R114 CarbonylContact C-O 3.26Å; P104-R114 WeakPolarHBondContact CA-O 3.32Å; N105-R114 HydrophobicContact CB-CB 4.29Å; N105-R114 PolarHBondContact N-O 3.5Å; F111-R114 PolarHBondContact O-N 3.22Å; R114-S170 WeakPolarHBondContact CG-OG 3.16Å; R114-E178 IonicContact CZ-OE1 2.73Å; R114-E178 IonicContact NH1-OE1 3.89Å; R114-E178 PolarHBondContact NH1-OE1 3.15Å; R114-E178 IonicContact NH2-OE1 2.72Å; R114-E178 PolarHBondContact NH2-OE1 3.4Å; R114-A204 WeakPolarHBondContact CD-O 3.37Å; R114-A204 HydrophobicContact CG-CB 4.42Å; R114-E208 VanDerWaalsContact CA-OE1 3.25Å; R114-E208 WeakPolarHBondContact CA-OE1 3.44Å; R114-E208 HydrophobicContact CB-CG 4.1Å
115S94.2Very high93.3Very high1 Ų157.1 Ų57.11%0.00728%0.283CS..BIsolated β-bridgetrans-75.7-179.7171.4630000111.7I103 W151 E208I103-S115 WeakPolarHBondContact O-CA 3.45Å; S115-W151 WeakPolarHBondContact OG-CH2 2.97Å; S115-E208 PolarHBondContact N-OE1 3.05Å; S115-E208 WeakPolarHBondContact O-CA 3.22Å; S115-E208 VanDerWaalsContact O-CB 3.32Å; S115-E208 WeakPolarHBondContact O-CB 3.31Å; S115-E208 WeakPolarHBondContact O-CG 3.49Å; S115-E208 PolarHBondContact OG-OE1 2.98Å; S115-E208 PolarHBondContact OG-OE2 3.45Å
116Q91.1Very high93.3Very high41 Ų4158.7 Ų58.719%0.19229%0.289CS..  trans-122.1176.9167.867.71779.300110.2I103 W151 E208I103-Q116 HydrophobicContact CB-CG 4.06Å; I103-Q116 HydrophobicContact CG2-CG 4.13Å; I103-Q116 PolarHBondContact O-N 2.94Å; Q116-W151 WeakPolarHBondContact O-CZ2 3.36Å; Q116-E208 CarbonylContact C-O 3.44Å
117P93.1Very high93.4Very high35 Ų3558.8 Ų58.823%0.22728%0.282CS..  trans-57135.8174.8-26.537.9000112.2L119 E208P117-L119 VanDerWaalsContact C-N 3.25Å; P117-L119 HydrophobicContact CB-CD1 4.44Å; P117-L119 HydrophobicContact CB-CG 4.27Å; P117-L119 PolarHBondContact O-N 2.91Å; P117-E208 WeakPolarHBondContact CD-O 3.25Å
118P93.4Very high93.4Very high62 Ų6258 Ų5840%0.40327%0.271SS..SBendtrans-7569.3-172.430.2-36.5000112.9W151P118-W151 HydrophobicContact CB-CD2 4.18Å; P118-W151 HydrophobicContact CB-CG 4.44Å; P118-W151 HydrophobicContact CB-CZ2 3.97Å; P118-W151 HydrophobicContact CG-CD2 4.48Å; P118-W151 HydrophobicContact CG-CZ2 4.27Å
119L93.6Very high93.4Very high92 Ų9257 Ų5748%0.48228%0.278SS..  trans-99.6-1-175.6-65.2179.2000113.6P117 I121 R122 M123P117-L119 VanDerWaalsContact C-N 3.25Å; P117-L119 HydrophobicContact CB-CD1 4.44Å; P117-L119 HydrophobicContact CB-CG 4.27Å; P117-L119 PolarHBondContact O-N 2.91Å; L119-I121 PolarHBondContact O-N 3.42Å; L119-R122 CarbonylContact O-C 3.49Å; L119-R122 WeakPolarHBondContact O-CA 3.45Å; L119-R122 WeakPolarHBondContact O-CB 3.36Å; L119-R122 PolarHBondContact O-N 3.37Å; L119-R122 VanDerWaalsContact O-N 3.09Å; L119-M123 HydrophobicContact CB-CE 3.94Å; L119-M123 VanDerWaalsContact O-CG 3.31Å; L119-M123 WeakPolarHBondContact O-CG 3.13Å; L119-M123 PolarHBondContact O-N 3.05Å
120F95.1Very high93.3Very high0 Ų058.9 Ų58.90%029%0.289CS..Hα-helixtrans-59.2-52.1-175.5-176.5-151.5000113.1I90 I93 A94 V97 I103 R122 M123 V124 A143 T144 E147I90-F120 HydrophobicContact CG2-CE2 4.14Å; I93-F120 HydrophobicContact CB-CD2 4.22Å; I93-F120 HydrophobicContact CB-CE2 4.12Å; I93-F120 HydrophobicContact CG2-CB 4.41Å; I93-F120 HydrophobicContact CG2-CD1 4.27Å; I93-F120 HydrophobicContact CG2-CD2 3.36Å; I93-F120 HydrophobicContact CG2-CE1 4.45Å; I93-F120 HydrophobicContact CG2-CE2 3.59Å; I93-F120 HydrophobicContact CG2-CG 3.75Å; I93-F120 HydrophobicContact CG2-CZ 4.15Å; A94-F120 HydrophobicContact CB-CZ 3.93Å; V97-F120 HydrophobicContact CG2-CD1 4.23Å; V97-F120 HydrophobicContact CG2-CE1 4.24Å; I103-F120 HydrophobicContact CD1-CB 3.73Å; I103-F120 HydrophobicContact CD1-CG 4.11Å; F120-R122 PolarHBondContact O-N 2.84Å; F120-M123 WeakPolarHBondContact O-CA 2.97Å; F120-M123 WeakPolarHBondContact O-CB 3.1Å; F120-M123 PolarHBondContact O-N 3.21Å; F120-V124 HydrophobicContact CD2-CG2 4.08Å; F120-V124 HydrophobicContact CE2-CG2 3.82Å; F120-V124 HydrophobicContact CZ-CG2 4.44Å; F120-V124 WeakPolarHBondContact O-CG2 3.38Å; F120-V124 PolarHBondContact O-N 3.3Å; F120-A143 HydrophobicContact CE1-CB 3.91Å; F120-A143 HydrophobicContact CZ-CB 4.15Å; F120-T144 HydrophobicContact CD1-CG2 4Å; F120-T144 HydrophobicContact CE1-CG2 3.69Å; F120-T144 HydrophobicContact CZ-CG2 4Å; F120-E147 WeakPolarHBondContact CB-OE2 3.46Å; F120-E147 HydrophobicContact CD1-CB 4.42Å
121I95.8Very high93.3Very high81 Ų8157.9 Ų57.942%0.41529%0.29SS..Hα-helixtrans-56.3-38.6176.7-63176.8000110.2L119 V124 Y125 T144 F148L119-I121 PolarHBondContact O-N 3.42Å; I121-V124 PolarHBondContact O-N 3.42Å; I121-Y125 WeakPolarHBondContact O-CB 3.34Å; I121-Y125 PolarHBondContact O-N 3.16Å; I121-T144 HydrophobicContact CG1-CG2 4.15Å; I121-F148 HydrophobicContact CD1-CB 4.24Å; I121-F148 HydrophobicContact CD1-CD2 4.38Å
122R94.7Very high93.3Very high145 Ų14558.7 Ų58.755%0.54731%0.306SS..Hα-helixtrans-66.8-41.1176.6-17660.4-179.7-89.10.1111.9L119 F120 V124 Y125 E126L119-R122 CarbonylContact O-C 3.49Å; L119-R122 WeakPolarHBondContact O-CA 3.45Å; L119-R122 WeakPolarHBondContact O-CB 3.36Å; L119-R122 PolarHBondContact O-N 3.37Å; L119-R122 VanDerWaalsContact O-N 3.09Å; F120-R122 PolarHBondContact O-N 2.84Å; R122-V124 VanDerWaalsContact C-N 3.34Å; R122-V124 PolarHBondContact O-N 3.21Å; R122-Y125 PolarHBondContact O-N 2.95Å; R122-E126 HydrophobicContact CG-CG 4.35Å; R122-E126 IonicContact CZ-OE1 2.84Å; R122-E126 IonicContact NE-OE1 2.99Å; R122-E126 PolarHBondContact NE-OE1 2.78Å; R122-E126 IonicContact NH2-OE1 3.35Å; R122-E126 PolarHBondContact NH2-OE1 3.48Å; R122-E126 VanDerWaalsContact O-CG 3.3Å; R122-E126 WeakPolarHBondContact O-CG 3.27Å; R122-E126 PolarHBondContact O-N 3.39Å
123M94Very high93.4Very high71 Ų7158.8 Ų58.835%0.3531%0.307SS..Hα-helixtrans-60.1-44.5175.5-66.4169.2-170.300111.3I93 L119 F120 Y127I93-M123 HydrophobicContact CD1-CE 4.44Å; I93-M123 HydrophobicContact CD1-SD 3.51Å; I93-M123 VanDerWaalsContact CD1-SD 3.51Å; L119-M123 HydrophobicContact CB-CE 3.94Å; L119-M123 VanDerWaalsContact O-CG 3.31Å; L119-M123 WeakPolarHBondContact O-CG 3.13Å; L119-M123 PolarHBondContact O-N 3.05Å; F120-M123 WeakPolarHBondContact O-CA 2.97Å; F120-M123 WeakPolarHBondContact O-CB 3.1Å; F120-M123 PolarHBondContact O-N 3.21Å; M123-Y127 WeakPolarHBondContact O-CB 3.49Å; M123-Y127 PolarHBondContact O-N 2.99Å
124V94.6Very high93.7Very high13 Ų1360.5 Ų60.58%0.07932%0.315CS..Hα-helixtrans-62.2-48.2175.6-1790000110.6I90 F120 I121 R122 E126 Y127 V128 L140 T144I90-V124 HydrophobicContact CG2-CG2 3.98Å; F120-V124 HydrophobicContact CD2-CG2 4.08Å; F120-V124 HydrophobicContact CE2-CG2 3.82Å; F120-V124 HydrophobicContact CZ-CG2 4.44Å; F120-V124 WeakPolarHBondContact O-CG2 3.38Å; F120-V124 PolarHBondContact O-N 3.3Å; I121-V124 PolarHBondContact O-N 3.42Å; R122-V124 VanDerWaalsContact C-N 3.34Å; R122-V124 PolarHBondContact O-N 3.21Å; V124-E126 PolarHBondContact O-N 2.84Å; V124-Y127 PolarHBondContact O-N 3.21Å; V124-V128 HydrophobicContact CG1-CG2 4.18Å; V124-V128 WeakPolarHBondContact O-CG2 3.25Å; V124-V128 PolarHBondContact O-N 3.39Å; V124-L140 HydrophobicContact CB-CD1 4.38Å; V124-L140 HydrophobicContact CG1-CD1 3.83Å; V124-L140 HydrophobicContact CG2-CD1 3.67Å; V124-T144 HydrophobicContact CG2-CG2 4.09Å
125Y94.9Very high93.9Very high143 Ų14366.8 Ų66.856%0.56135%0.349SS*.Hα-helixtrans-56.4-48.4178.2173.6-92.3000112.6I121 R122 V128 S129I121-Y125 WeakPolarHBondContact O-CB 3.34Å; I121-Y125 PolarHBondContact O-N 3.16Å; R122-Y125 PolarHBondContact O-N 2.95Å; Y125-V128 PolarHBondContact O-N 3.4Å; Y125-S129 VanDerWaalsContact O-CB 3.28Å; Y125-S129 WeakPolarHBondContact O-CB 3.12Å; Y125-S129 PolarHBondContact O-N 3.38Å; Y125-S129 PolarHBondContact O-OG 2.97Å
126E92.6Very high94Very high78 Ų7866.9 Ų66.936%0.36435%0.349SS..Hα-helixtrans-64.8-41.8179.8-68.5-64.816500111.6R122 V124 S129 V130R122-E126 HydrophobicContact CG-CG 4.35Å; R122-E126 IonicContact CZ-OE1 2.84Å; R122-E126 IonicContact NE-OE1 2.99Å; R122-E126 PolarHBondContact NE-OE1 2.78Å; R122-E126 IonicContact NH2-OE1 3.35Å; R122-E126 PolarHBondContact NH2-OE1 3.48Å; R122-E126 VanDerWaalsContact O-CG 3.3Å; R122-E126 WeakPolarHBondContact O-CG 3.27Å; R122-E126 PolarHBondContact O-N 3.39Å; V124-E126 PolarHBondContact O-N 2.84Å; E126-S129 PolarHBondContact O-N 3.49Å; E126-V130 WeakPolarHBondContact O-CG2 3.42Å; E126-V130 PolarHBondContact O-N 2.86Å
127Y91.6Very high94.2Very high25 Ų2566.1 Ų66.110%0.09835%0.35CS..Hα-helixtrans-60.7-48.5176.7177.9-90.9000111.7F83 V86 H87 I90 M123 V124 S129 V130 T131 D133 F136F83-Y127 HydrophobicContact CD1-CE2 4.45Å; V86-Y127 HydrophobicContact CB-CD2 4.2Å; V86-Y127 HydrophobicContact CB-CE2 4.42Å; V86-Y127 HydrophobicContact CG1-CD2 3.61Å; V86-Y127 HydrophobicContact CG1-CE2 4.29Å; H87-Y127 HydrophobicContact CB-CE2 4Å; I90-Y127 HydrophobicContact CD1-CD2 4.14Å; I90-Y127 HydrophobicContact CD1-CG 3.85Å; M123-Y127 WeakPolarHBondContact O-CB 3.49Å; M123-Y127 PolarHBondContact O-N 2.99Å; V124-Y127 PolarHBondContact O-N 3.21Å; Y127-S129 VanDerWaalsContact C-N 3.35Å; Y127-S129 PolarHBondContact O-N 3.09Å; Y127-V130 PolarHBondContact O-N 2.78Å; Y127-T131 HydrophobicContact CD1-CG2 4.45Å; Y127-T131 HydrophobicContact CD2-CG2 4.23Å; Y127-T131 HydrophobicContact CE1-CG2 4.08Å; Y127-T131 WeakPolarHBondContact CE1-OG1 3.42Å; Y127-T131 HydrophobicContact CE2-CG2 3.87Å; Y127-T131 WeakPolarHBondContact O-CB 3.47Å; Y127-T131 WeakPolarHBondContact O-CG2 3.31Å; Y127-T131 PolarHBondContact O-N 3.22Å; Y127-T131 PolarHBondContact O-OG1 2.95Å; Y127-D133 HydrophobicContact CE1-CB 4.13Å; Y127-F136 AromaticContact CD1-CD1 3.54Å; Y127-F136 HydrophobicContact CD1-CD1 3.54Å; Y127-F136 AromaticContact CD1-CE1 3.76Å; Y127-F136 HydrophobicContact CD1-CE1 3.76Å; Y127-F136 AromaticContact CE1-CD1 3.31Å; Y127-F136 HydrophobicContact CE1-CD1 3.31Å; Y127-F136 AromaticContact CE1-CE1 3.68Å; Y127-F136 HydrophobicContact CE1-CE1 3.68Å; Y127-F136 HydrophobicContact CE1-CG 4.33Å; Y127-F136 HydrophobicContact CG-CE1 4.42Å
128V93.1Very high94.5Very high14 Ų1467.8 Ų67.89%0.08536%0.363CS..Hα-helixtrans-68.1-36-178.9177.40000111.2V124 Y125 V130 T131 G132 F134 A137V124-V128 HydrophobicContact CG1-CG2 4.18Å; V124-V128 WeakPolarHBondContact O-CG2 3.25Å; V124-V128 PolarHBondContact O-N 3.39Å; Y125-V128 PolarHBondContact O-N 3.4Å; V128-V130 PolarHBondContact O-N 3.2Å; V128-T131 PolarHBondContact O-N 3.37Å; V128-G132 WeakPolarHBondContact O-CA 3.41Å; V128-G132 PolarHBondContact O-N 3Å; V128-F134 HydrophobicContact CG1-CD1 3.91Å; V128-F134 HydrophobicContact CG1-CE1 3.95Å; V128-F134 HydrophobicContact CG1-CG 4.46Å; V128-A137 HydrophobicContact CG1-CB 4.42Å; V128-A137 HydrophobicContact CG2-CB 3.7Å
129S93.3Very high94.7Very high70 Ų7070.1 Ų70.149%0.4937%0.368SS..Hα-helixtrans-62.2-31.2177.9-63.10000112.7Y125 E126 Y127Y125-S129 VanDerWaalsContact O-CB 3.28Å; Y125-S129 WeakPolarHBondContact O-CB 3.12Å; Y125-S129 PolarHBondContact O-N 3.38Å; Y125-S129 PolarHBondContact O-OG 2.97Å; E126-S129 PolarHBondContact O-N 3.49Å; Y127-S129 VanDerWaalsContact C-N 3.35Å; Y127-S129 PolarHBondContact O-N 3.09Å
130V91.4Very high94.9Very high99 Ų9965.9 Ų65.960%0.635%0.346SS*.Hα-helixtrans-89.9-38.8178.5179.80000112.3F83 E126 Y127 V128F83-V130 HydrophobicContact CE1-CB 4.39Å; F83-V130 HydrophobicContact CE1-CG1 3.56Å; F83-V130 HydrophobicContact CZ-CG1 3.75Å; E126-V130 WeakPolarHBondContact O-CG2 3.42Å; E126-V130 PolarHBondContact O-N 2.86Å; Y127-V130 PolarHBondContact O-N 2.78Å; V128-V130 PolarHBondContact O-N 3.2Å
131T91.9Very high95Very high50 Ų5070.4 Ų70.431%0.30737%0.368SS..Hα-helixtrans-93-24.3-172.858.30000114.3F83 Y127 V128 D133F83-T131 HydrophobicContact CD1-CG2 3.45Å; F83-T131 VanDerWaalsContact CD1-CG2 3.45Å; F83-T131 HydrophobicContact CE1-CG2 3.72Å; F83-T131 HydrophobicContact CG-CG2 4.24Å; Y127-T131 HydrophobicContact CD1-CG2 4.45Å; Y127-T131 HydrophobicContact CD2-CG2 4.23Å; Y127-T131 HydrophobicContact CE1-CG2 4.08Å; Y127-T131 WeakPolarHBondContact CE1-OG1 3.42Å; Y127-T131 HydrophobicContact CE2-CG2 3.87Å; Y127-T131 WeakPolarHBondContact O-CB 3.47Å; Y127-T131 WeakPolarHBondContact O-CG2 3.31Å; Y127-T131 PolarHBondContact O-N 3.22Å; Y127-T131 PolarHBondContact O-OG1 2.95Å; V128-T131 PolarHBondContact O-N 3.37Å; T131-D133 PolarHBondContact O-N 3.33Å; T131-D133 PolarHBondContact OG1-N 2.83Å
132G94.2Very high95.1Very high44 Ų4470.4 Ų70.445%0.45437%0.373SS..  trans71.712.3-171.200000114.4V128 F134V128-G132 WeakPolarHBondContact O-CA 3.41Å; V128-G132 PolarHBondContact O-N 3Å; G132-F134 WeakPolarHBondContact O-CD2 3.41Å; G132-F134 PolarHBondContact O-N 3.47Å
133D95.3Very high95.3Very high53 Ų5363.7 Ų63.728%0.28335%0.349SS..  trans-80.977.2-174.7-168-10.3000112.4Y127 T131 D135 F136 A137Y127-D133 HydrophobicContact CE1-CB 4.13Å; T131-D133 PolarHBondContact O-N 3.33Å; T131-D133 PolarHBondContact OG1-N 2.83Å; D133-D135 VanDerWaalsContact C-N 3.31Å; D133-F136 HydrophobicContact CB-CB 4.18Å; D133-F136 PolarHBondContact O-N 3.42Å; D133-F136 WeakPolarHBondContact OD1-CB 3.44Å; D133-F136 PolarHBondContact OD1-N 2.8Å; D133-F136 WeakPolarHBondContact OD2-CB 3.37Å; D133-A137 PolarHBondContact O-N 3.24Å
134F96.5Very high95.5Very high145 Ų14561.2 Ų61.264%0.63634%0.338SS*.Hα-helixtrans-71-23.8179.3-67.1-75.7000113.8V128 G132 A137 S138V128-F134 HydrophobicContact CG1-CD1 3.91Å; V128-F134 HydrophobicContact CG1-CE1 3.95Å; V128-F134 HydrophobicContact CG1-CG 4.46Å; G132-F134 WeakPolarHBondContact O-CD2 3.41Å; G132-F134 PolarHBondContact O-N 3.47Å; F134-A137 WeakPolarHBondContact O-CB 3.18Å; F134-A137 PolarHBondContact O-N 2.68Å; F134-S138 PolarHBondContact O-N 3.05Å; F134-S138 PolarHBondContact O-OG 3.18Å
135D97.8Very high95.6Very high140 Ų14066 Ų6675%0.74936%0.359SS*.Hα-helixtrans-67.1-42.2175.1-71.1-28.3000109.7D133 S138 E139D133-D135 VanDerWaalsContact C-N 3.31Å; D135-S138 WeakPolarHBondContact O-CB 3.44Å; D135-S138 PolarHBondContact O-N 2.91Å; D135-E139 PolarHBondContact O-N 2.97Å
136F95.9Very high95.8Very high3 Ų362.6 Ų62.61%0.01335%0.347CS..Hα-helixtrans-64.5-39.1173.1-175.1-128.3000112.6H87 I90 K91 Y127 D133 S138 E139 L140H87-F136 AromaticContact CD2-CD1 3.8Å; H87-F136 AromaticContact CD2-CD2 3.7Å; H87-F136 AromaticContact CD2-CE1 3.57Å; H87-F136 AromaticContact CD2-CE2 3.53Å; H87-F136 AromaticContact CD2-CG 3.82Å; H87-F136 AromaticContact CD2-CZ 3.41Å; H87-F136 VanDerWaalsContact CD2-CZ 3.41Å; H87-F136 WeakPolarHBondContact CD2-CZ 3.19Å; H87-F136 AromaticContact CG-CZ 3.95Å; H87-F136 AromaticContact NE2-CD2 3.47Å; H87-F136 WeakPolarHBondContact NE2-CD2 3.36Å; H87-F136 AromaticContact NE2-CE2 3.43Å; H87-F136 WeakPolarHBondContact NE2-CE2 3.45Å; H87-F136 AromaticContact NE2-CG 3.97Å; H87-F136 AromaticContact NE2-CZ 3.83Å; I90-F136 HydrophobicContact CB-CE1 4.16Å; I90-F136 HydrophobicContact CB-CZ 3.91Å; I90-F136 HydrophobicContact CD1-CE1 4.21Å; I90-F136 HydrophobicContact CG2-CE1 3.83Å; I90-F136 HydrophobicContact CG2-CZ 3.62Å; K91-F136 HydrophobicContact CD-CE2 4.21Å; K91-F136 HydrophobicContact CG-CE2 3.68Å; K91-F136 HydrophobicContact CG-CZ 4.02Å; Y127-F136 AromaticContact CD1-CD1 3.54Å; Y127-F136 HydrophobicContact CD1-CD1 3.54Å; Y127-F136 AromaticContact CD1-CE1 3.76Å; Y127-F136 HydrophobicContact CD1-CE1 3.76Å; Y127-F136 AromaticContact CE1-CD1 3.31Å; Y127-F136 HydrophobicContact CE1-CD1 3.31Å; Y127-F136 AromaticContact CE1-CE1 3.68Å; Y127-F136 HydrophobicContact CE1-CE1 3.68Å; Y127-F136 HydrophobicContact CE1-CG 4.33Å; Y127-F136 HydrophobicContact CG-CE1 4.42Å; D133-F136 HydrophobicContact CB-CB 4.18Å; D133-F136 PolarHBondContact O-N 3.42Å; D133-F136 WeakPolarHBondContact OD1-CB 3.44Å; D133-F136 PolarHBondContact OD1-N 2.8Å; D133-F136 WeakPolarHBondContact OD2-CB 3.37Å; F136-S138 VanDerWaalsContact C-N 3.26Å; F136-S138 PolarHBondContact O-N 2.76Å; F136-E139 WeakPolarHBondContact O-CB 3.21Å; F136-E139 PolarHBondContact O-N 3.03Å; F136-L140 HydrophobicContact CD1-CD1 3.9Å; F136-L140 HydrophobicContact CD2-CD1 4.11Å; F136-L140 HydrophobicContact CD2-CG 4.21Å; F136-L140 HydrophobicContact CE1-CD1 3.63Å; F136-L140 HydrophobicContact CE2-CD1 3.77Å; F136-L140 HydrophobicContact CE2-CD2 4.03Å; F136-L140 HydrophobicContact CE2-CG 3.93Å; F136-L140 HydrophobicContact CG-CD1 4.17Å; F136-L140 HydrophobicContact CZ-CD1 3.58Å; F136-L140 HydrophobicContact CZ-CD2 4.29Å; F136-L140 HydrophobicContact CZ-CG 4.22Å; F136-L140 VanDerWaalsContact O-CG 3.27Å; F136-L140 WeakPolarHBondContact O-CG 3.32Å; F136-L140 PolarHBondContact O-N 3.27Å; F136-L140 VanDerWaalsContact O-N 3.1Å
137A96.3Very high96Very high25 Ų2559 Ų5921%0.20733%0.331CS..Hα-helixtrans-57.4-42.7172.100000111.8V128 D133 F134 L140 M141V128-A137 HydrophobicContact CG1-CB 4.42Å; V128-A137 HydrophobicContact CG2-CB 3.7Å; D133-A137 PolarHBondContact O-N 3.24Å; F134-A137 WeakPolarHBondContact O-CB 3.18Å; F134-A137 PolarHBondContact O-N 2.68Å; A137-L140 PolarHBondContact O-N 3.01Å; A137-M141 PolarHBondContact O-N 2.91Å
138S98Very high96.3Very high71 Ų7162.7 Ų62.750%0.49735%0.347SS..Hα-helixtrans-67.9-38.9178.8-54.60000112F134 D135 F136 L140 M141F134-S138 PolarHBondContact O-N 3.05Å; F134-S138 PolarHBondContact O-OG 3.18Å; D135-S138 WeakPolarHBondContact O-CB 3.44Å; D135-S138 PolarHBondContact O-N 2.91Å; F136-S138 VanDerWaalsContact C-N 3.26Å; F136-S138 PolarHBondContact O-N 2.76Å; S138-L140 VanDerWaalsContact C-N 3.3Å; S138-L140 PolarHBondContact O-N 3.48Å; S138-M141 WeakPolarHBondContact O-CB 3.21Å; S138-M141 PolarHBondContact O-N 3.2Å
139E98Very high96.5Very high111 Ų11164.6 Ų64.652%0.51936%0.357SS..Hα-helixtrans-57.9-41.6173.6-173.2-171.7151.500111.7K91 D135 F136 P142K91-E139 WeakPolarHBondContact CE-OE1 3.22Å; K91-E139 VanDerWaalsContact NZ-CD 3.27Å; K91-E139 IonicContact NZ-OE1 3.8Å; K91-E139 PolarHBondContact NZ-OE1 3.13Å; K91-E139 IonicContact NZ-OE2 3.34Å; K91-E139 PolarHBondContact NZ-OE2 3.49Å; D135-E139 PolarHBondContact O-N 2.97Å; F136-E139 WeakPolarHBondContact O-CB 3.21Å; F136-E139 PolarHBondContact O-N 3.03Å; E139-P142 WeakPolarHBondContact O-CD 3.32Å
140L97.8Very high96.6Very high3 Ų361.8 Ų61.82%0.01634%0.336CS..Hα-helixtrans-84.2-12.3-174.6-64169.3000114.4I90 A94 V124 F136 A137 S138 P142 A143 T144I90-L140 HydrophobicContact CG2-CD1 3.3Å; I90-L140 HydrophobicContact CG2-CD2 3.99Å; I90-L140 HydrophobicContact CG2-CG 4.3Å; A94-L140 HydrophobicContact CB-CD2 3.65Å; V124-L140 HydrophobicContact CB-CD1 4.38Å; V124-L140 HydrophobicContact CG1-CD1 3.83Å; V124-L140 HydrophobicContact CG2-CD1 3.67Å; F136-L140 HydrophobicContact CD1-CD1 3.9Å; F136-L140 HydrophobicContact CD2-CD1 4.11Å; F136-L140 HydrophobicContact CD2-CG 4.21Å; F136-L140 HydrophobicContact CE1-CD1 3.63Å; F136-L140 HydrophobicContact CE2-CD1 3.77Å; F136-L140 HydrophobicContact CE2-CD2 4.03Å; F136-L140 HydrophobicContact CE2-CG 3.93Å; F136-L140 HydrophobicContact CG-CD1 4.17Å; F136-L140 HydrophobicContact CZ-CD1 3.58Å; F136-L140 HydrophobicContact CZ-CD2 4.29Å; F136-L140 HydrophobicContact CZ-CG 4.22Å; F136-L140 VanDerWaalsContact O-CG 3.27Å; F136-L140 WeakPolarHBondContact O-CG 3.32Å; F136-L140 PolarHBondContact O-N 3.27Å; F136-L140 VanDerWaalsContact O-N 3.1Å; A137-L140 PolarHBondContact O-N 3.01Å; S138-L140 VanDerWaalsContact C-N 3.3Å; S138-L140 PolarHBondContact O-N 3.48Å; L140-P142 VanDerWaalsContact C-CD 3.46Å; L140-A143 PolarHBondContact O-N 2.72Å; L140-T144 PolarHBondContact O-N 2.78Å; L140-T144 PolarHBondContact O-OG1 3.32Å
141M97.9Very high96.8Very high95 Ų9557.6 Ų57.647%0.46831%0.31SS..Hα-helixtrans-51-47.4-175.2-165.4177-60.200112.9A137 S138 A143 T144 E145A137-M141 PolarHBondContact O-N 2.91Å; S138-M141 WeakPolarHBondContact O-CB 3.21Å; S138-M141 PolarHBondContact O-N 3.2Å; M141-A143 VanDerWaalsContact C-N 3.32Å; M141-A143 PolarHBondContact O-N 2.91Å; M141-T144 VanDerWaalsContact CA-OG1 3.31Å; M141-T144 WeakPolarHBondContact CA-OG1 3.37Å; M141-T144 PolarHBondContact O-N 3.3Å; M141-T144 PolarHBondContact O-OG1 2.86Å; M141-E145 HydrophobicContact CG-CG 4.42Å; M141-E145 WeakPolarHBondContact O-CG 3.4Å; M141-E145 PolarHBondContact O-N 3.27Å
142P98.1Very high96.9Very high80 Ų8058 Ų5852%0.51931%0.31SS..Hα-helixtrans-60.3-38.2179-23.335.5000113.7E139 L140 K146E139-P142 WeakPolarHBondContact O-CD 3.32Å; L140-P142 VanDerWaalsContact C-CD 3.46Å; P142-K146 VanDerWaalsContact O-CB 3.27Å; P142-K146 WeakPolarHBondContact O-CB 3.32Å; P142-K146 PolarHBondContact O-N 3.24Å
143A98.1Very high96.9Very high4 Ų464.5 Ų64.53%0.03332%0.32CS..Hα-helixtrans-71.3-42.2177.600000110.9A94 V97 F120 L140 M141 E145 K146 E147A94-A143 HydrophobicContact CB-CB 3.87Å; V97-A143 HydrophobicContact CG1-CB 4.41Å; V97-A143 VanDerWaalsContact CG1-O 3.31Å; V97-A143 WeakPolarHBondContact CG1-O 3.2Å; F120-A143 HydrophobicContact CE1-CB 3.91Å; F120-A143 HydrophobicContact CZ-CB 4.15Å; L140-A143 PolarHBondContact O-N 2.72Å; M141-A143 VanDerWaalsContact C-N 3.32Å; M141-A143 PolarHBondContact O-N 2.91Å; A143-E145 PolarHBondContact O-N 3.09Å; A143-K146 WeakPolarHBondContact O-CB 3.39Å; A143-K146 PolarHBondContact O-N 3.44Å; A143-E147 PolarHBondContact O-N 3.06Å
144T97.8Very high96.9Very high19 Ų1965.8 Ų65.812%0.11733%0.327CS..Hα-helixtrans-63.7-40.5177.655.80000112.9F120 I121 V124 L140 M141 F148F120-T144 HydrophobicContact CD1-CG2 4Å; F120-T144 HydrophobicContact CE1-CG2 3.69Å; F120-T144 HydrophobicContact CZ-CG2 4Å; I121-T144 HydrophobicContact CG1-CG2 4.15Å; V124-T144 HydrophobicContact CG2-CG2 4.09Å; L140-T144 PolarHBondContact O-N 2.78Å; L140-T144 PolarHBondContact O-OG1 3.32Å; M141-T144 VanDerWaalsContact CA-OG1 3.31Å; M141-T144 WeakPolarHBondContact CA-OG1 3.37Å; M141-T144 PolarHBondContact O-N 3.3Å; M141-T144 PolarHBondContact O-OG1 2.86Å; T144-F148 WeakPolarHBondContact O-CB 3.29Å; T144-F148 PolarHBondContact O-N 3.11Å
145E98.1Very high96.8Very high114 Ų11459.1 Ų59.153%0.53330%0.298SS..Hα-helixtrans-65.5-40.8174.4-72.4-179162.900111.3M141 A143 E147 F148 D149M141-E145 HydrophobicContact CG-CG 4.42Å; M141-E145 WeakPolarHBondContact O-CG 3.4Å; M141-E145 PolarHBondContact O-N 3.27Å; A143-E145 PolarHBondContact O-N 3.09Å; E145-E147 PolarHBondContact O-N 3.23Å; E145-F148 PolarHBondContact O-N 3.22Å; E145-D149 WeakPolarHBondContact O-CB 3.33Å; E145-D149 PolarHBondContact O-N 3.27Å
146K98.2Very high96.6Very high71 Ų7154 Ų5431%0.30927%0.274SS..Hα-helixtrans-60.2-45.7177.4-176-178.7-64.8170.80112.2V97 D98 V101 P142 A143 D149 F150V97-K146 HydrophobicContact CG1-CB 4.09Å; V97-K146 HydrophobicContact CG1-CD 4.03Å; V97-K146 HydrophobicContact CG1-CG 4.13Å; V97-K146 WeakPolarHBondContact O-CD 3.16Å; D98-K146 IonicContact OD1-NZ 2.96Å; D98-K146 PolarHBondContact OD1-NZ 2.98Å; V101-K146 HydrophobicContact CG1-CG 4.4Å; P142-K146 VanDerWaalsContact O-CB 3.27Å; P142-K146 WeakPolarHBondContact O-CB 3.32Å; P142-K146 PolarHBondContact O-N 3.24Å; A143-K146 WeakPolarHBondContact O-CB 3.39Å; A143-K146 PolarHBondContact O-N 3.44Å; K146-D149 PolarHBondContact O-N 3.07Å; K146-F150 PolarHBondContact O-N 3.42Å; K146-F150 VanDerWaalsContact O-N 3.08Å
147E97.7Very high96.4Very high4 Ų458 Ų582%0.01929%0.294CS..Hα-helixtrans-66.5-42.7175.7-167-171.4-149.400111.1V97 I103 F120 A143 E145 D149 F150 W151V97-E147 HydrophobicContact CG1-CB 4.02Å; V97-E147 HydrophobicContact CG2-CB 4.31Å; I103-E147 VanDerWaalsContact CD1-OE1 3.22Å; I103-E147 WeakPolarHBondContact CD1-OE1 3.42Å; I103-E147 VanDerWaalsContact CG1-OE1 3.31Å; I103-E147 WeakPolarHBondContact CG1-OE1 3.47Å; F120-E147 WeakPolarHBondContact CB-OE2 3.46Å; F120-E147 HydrophobicContact CD1-CB 4.42Å; A143-E147 PolarHBondContact O-N 3.06Å; E145-E147 PolarHBondContact O-N 3.23Å; E147-D149 VanDerWaalsContact C-N 3.32Å; E147-D149 PolarHBondContact O-N 3.12Å; E147-F150 VanDerWaalsContact O-CB 3.31Å; E147-F150 WeakPolarHBondContact O-CB 3.33Å; E147-F150 PolarHBondContact O-N 3.14Å; E147-F150 VanDerWaalsContact O-N 3.14Å; E147-W151 PolarHBondContact O-N 2.81Å; E147-W151 VanDerWaalsContact O-N 3.08Å
148F96.6Very high96.1Very high101 Ų10162.1 Ų62.144%0.44331%0.309SS..Hα-helixtrans-59-43.8177-177.3-100.4000112.2I121 T144 E145 F150 W151 L152I121-F148 HydrophobicContact CD1-CB 4.24Å; I121-F148 HydrophobicContact CD1-CD2 4.38Å; T144-F148 WeakPolarHBondContact O-CB 3.29Å; T144-F148 PolarHBondContact O-N 3.11Å; E145-F148 PolarHBondContact O-N 3.22Å; F148-F150 VanDerWaalsContact C-N 3.3Å; F148-F150 PolarHBondContact O-N 3.49Å; F148-W151 PolarHBondContact O-N 3.4Å; F148-W151 VanDerWaalsContact O-N 3.16Å; F148-L152 HydrophobicContact CE1-CD2 4.42Å; F148-L152 WeakPolarHBondContact O-CB 3.31Å; F148-L152 PolarHBondContact O-N 2.59Å
149D96.8Very high95.6Very high55 Ų5562.9 Ų62.929%0.29431%0.31SS..Hα-helixtrans-60.2-38.9175.2-96.61.5000112.2E145 K146 E147 L152 R153E145-D149 WeakPolarHBondContact O-CB 3.33Å; E145-D149 PolarHBondContact O-N 3.27Å; K146-D149 PolarHBondContact O-N 3.07Å; E147-D149 VanDerWaalsContact C-N 3.32Å; E147-D149 PolarHBondContact O-N 3.12Å; D149-L152 PolarHBondContact O-N 3.16Å; D149-R153 WeakPolarHBondContact O-CB 3.25Å; D149-R153 VanDerWaalsContact O-CG 3.31Å; D149-R153 WeakPolarHBondContact O-CG 3.49Å; D149-R153 PolarHBondContact O-N 2.73Å; D149-R153 IonicContact OD1-NH2 2.68Å; D149-R153 IonicContact OD2-CZ 3.65Å; D149-R153 IonicContact OD2-NH1 3.37Å; D149-R153 IonicContact OD2-NH2 2.95Å; D149-R153 PolarHBondContact OD2-NH2 3.08Å
150F96.5Very high95.2Very high11 Ų1161.5 Ų61.55%0.04831%0.309CS..Hα-helixtrans-58.9-50172.4165.2-94000111.3V101 F102 K146 E147 F148 L152 R153 N154 R155V101-F150 HydrophobicContact CG1-CB 4.04Å; V101-F150 HydrophobicContact CG1-CD2 4.29Å; F102-F150 HydrophobicContact CB-CB 4.4Å; F102-F150 HydrophobicContact CB-CD1 3.49Å; F102-F150 VanDerWaalsContact CB-CD1 3.49Å; F102-F150 HydrophobicContact CB-CD2 3.95Å; F102-F150 HydrophobicContact CB-CE1 3.59Å; F102-F150 HydrophobicContact CB-CE2 4.02Å; F102-F150 HydrophobicContact CB-CG 3.67Å; F102-F150 HydrophobicContact CB-CZ 3.85Å; F102-F150 AromaticContact CD1-CD2 3.95Å; F102-F150 HydrophobicContact CD1-CD2 3.95Å; F102-F150 HydrophobicContact CD1-CE1 4.43Å; F102-F150 AromaticContact CD1-CE2 3.52Å; F102-F150 HydrophobicContact CD1-CE2 3.52Å; F102-F150 AromaticContact CD1-CZ 3.79Å; F102-F150 HydrophobicContact CD1-CZ 3.79Å; F102-F150 HydrophobicContact CD2-CE1 4.27Å; F102-F150 HydrophobicContact CD2-CZ 4.07Å; F102-F150 HydrophobicContact CE1-CE2 4.15Å; F102-F150 HydrophobicContact CE1-CZ 4.38Å; F102-F150 HydrophobicContact CG-CD1 4.22Å; F102-F150 HydrophobicContact CG-CD2 4.19Å; F102-F150 AromaticContact CG-CE1 3.85Å; F102-F150 HydrophobicContact CG-CE1 3.85Å; F102-F150 AromaticContact CG-CE2 3.81Å; F102-F150 HydrophobicContact CG-CE2 3.81Å; F102-F150 HydrophobicContact CG-CG 4.38Å; F102-F150 AromaticContact CG-CZ 3.62Å; F102-F150 HydrophobicContact CG-CZ 3.62Å; K146-F150 PolarHBondContact O-N 3.42Å; K146-F150 VanDerWaalsContact O-N 3.08Å; E147-F150 VanDerWaalsContact O-CB 3.31Å; E147-F150 WeakPolarHBondContact O-CB 3.33Å; E147-F150 PolarHBondContact O-N 3.14Å; E147-F150 VanDerWaalsContact O-N 3.14Å; F148-F150 VanDerWaalsContact C-N 3.3Å; F148-F150 PolarHBondContact O-N 3.49Å; F150-L152 VanDerWaalsContact C-N 3.31Å; F150-L152 PolarHBondContact O-N 2.87Å; F150-R153 PolarHBondContact O-N 3.16Å; F150-N154 HydrophobicContact CD2-CB 4.24Å; F150-N154 HydrophobicContact CE2-CB 4.11Å; F150-N154 VanDerWaalsContact O-CB 3.26Å; F150-N154 WeakPolarHBondContact O-CB 3.35Å; F150-N154 PolarHBondContact O-N 3.08Å; F150-R155 HydrophobicContact CE1-CG 4.11Å; F150-R155 HydrophobicContact CZ-CG 4.42Å
151W95.7Very high94.5Very high11 Ų1167.4 Ų67.44%0.04234%0.341CS..Hα-helixtrans-60.6-43.3178.1-75.4101.4000111.4S115 Q116 P118 E147 F148 R155 S156 F166 Y168S115-W151 WeakPolarHBondContact OG-CH2 2.97Å; Q116-W151 WeakPolarHBondContact O-CZ2 3.36Å; P118-W151 HydrophobicContact CB-CD2 4.18Å; P118-W151 HydrophobicContact CB-CG 4.44Å; P118-W151 HydrophobicContact CB-CZ2 3.97Å; P118-W151 HydrophobicContact CG-CD2 4.48Å; P118-W151 HydrophobicContact CG-CZ2 4.27Å; E147-W151 PolarHBondContact O-N 2.81Å; E147-W151 VanDerWaalsContact O-N 3.08Å; F148-W151 PolarHBondContact O-N 3.4Å; F148-W151 VanDerWaalsContact O-N 3.16Å; W151-R155 HydrophobicContact CD2-CB 4.39Å; W151-R155 HydrophobicContact CD2-CG 4.33Å; W151-R155 HydrophobicContact CE3-CB 3.46Å; W151-R155 VanDerWaalsContact CE3-CB 3.46Å; W151-R155 HydrophobicContact CE3-CG 3.61Å; W151-R155 HydrophobicContact CZ3-CB 3.89Å; W151-R155 HydrophobicContact CZ3-CG 3.79Å; W151-R155 CarbonylContact O-C 3.57Å; W151-R155 WeakPolarHBondContact O-CA 3.48Å; W151-R155 WeakPolarHBondContact O-CB 3.47Å; W151-R155 PolarHBondContact O-N 2.89Å; W151-S156 PolarHBondContact O-N 3.26Å; W151-F166 HydrophobicContact CB-CD1 3.93Å; W151-F166 HydrophobicContact CB-CE1 3.89Å; W151-F166 HydrophobicContact CE3-CD1 4.46Å; W151-F166 WeakPolarHBondContact O-CE1 3.4Å; W151-Y168 HydrophobicContact CH2-CD1 4.02Å; W151-Y168 AromaticContact CH2-CE1 3.86Å; W151-Y168 HydrophobicContact CH2-CE1 3.86Å; W151-Y168 HydrophobicContact CZ3-CD1 4.35Å; W151-Y168 HydrophobicContact CZ3-CE1 4.36Å
152L94.1Very high93.7Very high59 Ų5970.4 Ų70.431%0.30936%0.358SS..Hα-helixtrans-64.1-44.1-179.9-172.463.3000112.1F148 D149 F150 S156 F166F148-L152 HydrophobicContact CE1-CD2 4.42Å; F148-L152 WeakPolarHBondContact O-CB 3.31Å; F148-L152 PolarHBondContact O-N 2.59Å; D149-L152 PolarHBondContact O-N 3.16Å; F150-L152 VanDerWaalsContact C-N 3.31Å; F150-L152 PolarHBondContact O-N 2.87Å; L152-S156 VanDerWaalsContact O-CB 3.25Å; L152-S156 WeakPolarHBondContact O-CB 3.37Å; L152-S156 PolarHBondContact O-OG 2.92Å; L152-F166 HydrophobicContact CD1-CZ 4.47Å
153R94.4Very high93.1Very high179 Ų17975.6 Ų75.668%0.67537%0.367SS*.Hα-helixtrans-80.4-35.5-176.5-68.6177.7-172.4138.214.1113.5D149 F150D149-R153 WeakPolarHBondContact O-CB 3.25Å; D149-R153 VanDerWaalsContact O-CG 3.31Å; D149-R153 WeakPolarHBondContact O-CG 3.49Å; D149-R153 PolarHBondContact O-N 2.73Å; D149-R153 IonicContact OD1-NH2 2.68Å; D149-R153 IonicContact OD2-CZ 3.65Å; D149-R153 IonicContact OD2-NH1 3.37Å; D149-R153 IonicContact OD2-NH2 2.95Å; D149-R153 PolarHBondContact OD2-NH2 3.08Å; F150-R153 PolarHBondContact O-N 3.16Å
154N94Very high92.6Very high80 Ų8081.1 Ų81.143%0.42839%0.388SS..Hα-helixtrans-110.1-19.9-165.5-63.536.3000113.6F150F150-N154 HydrophobicContact CD2-CB 4.24Å; F150-N154 HydrophobicContact CE2-CB 4.11Å; F150-N154 VanDerWaalsContact O-CB 3.26Å; F150-N154 WeakPolarHBondContact O-CB 3.35Å; F150-N154 PolarHBondContact O-N 3.08Å
155R94.1Very high92.3Very high5 Ų582.9 Ų82.92%0.01940%0.401CS..THydrogen-bonded Turntrans-127.5-8.5-170.3-58-63.9-179-105.65.6113.5F150 W151 F166 T167 K169 D171F150-R155 HydrophobicContact CE1-CG 4.11Å; F150-R155 HydrophobicContact CZ-CG 4.42Å; W151-R155 HydrophobicContact CD2-CB 4.39Å; W151-R155 HydrophobicContact CD2-CG 4.33Å; W151-R155 HydrophobicContact CE3-CB 3.46Å; W151-R155 VanDerWaalsContact CE3-CB 3.46Å; W151-R155 HydrophobicContact CE3-CG 3.61Å; W151-R155 HydrophobicContact CZ3-CB 3.89Å; W151-R155 HydrophobicContact CZ3-CG 3.79Å; W151-R155 CarbonylContact O-C 3.57Å; W151-R155 WeakPolarHBondContact O-CA 3.48Å; W151-R155 WeakPolarHBondContact O-CB 3.47Å; W151-R155 PolarHBondContact O-N 2.89Å; R155-F166 WeakPolarHBondContact O-CA 3.16Å; R155-T167 WeakPolarHBondContact CB-O 3.41Å; R155-T167 WeakPolarHBondContact CD-O 3.29Å; R155-T167 PolarHBondContact O-N 3.34Å; R155-T167 PolarHBondContact O-OG1 2.69Å; R155-K169 PolarHBondContact NE-O 3.43Å; R155-K169 PolarHBondContact NH1-O 3.47Å; R155-K169 PolarHBondContact NH2-O 2.78Å; R155-D171 IonicContact CZ-OD2 2.88Å; R155-D171 IonicContact NH1-OD1 2.66Å; R155-D171 IonicContact NH1-OD2 2.89Å; R155-D171 PolarHBondContact NH1-OD2 2.8Å; R155-D171 IonicContact NH2-OD2 3Å; R155-D171 PolarHBondContact NH2-OD2 2.99Å
156S93.7Very high92Very high34 Ų3481.8 Ų81.824%0.23840%0.395CS..EExtended strand (participates in β ladder)trans-80.1144.2176.883.80000112.6W151 L152 S165W151-S156 PolarHBondContact O-N 3.26Å; L152-S156 VanDerWaalsContact O-CB 3.25Å; L152-S156 WeakPolarHBondContact O-CB 3.37Å; L152-S156 PolarHBondContact O-OG 2.92Å; S156-S165 CarbonylContact C-O 3.48Å; S156-S165 WeakPolarHBondContact CA-O 3.35Å
157I92.3Very high91.7Very high86 Ų8680.5 Ų80.544%0.44139%0.393SS..EExtended strand (participates in β ladder)trans-126.1126172.2-57.4-176.5000106.8V159 Y164 S165 T167I157-V159 PolarHBondContact O-N 3.48Å; I157-Y164 WeakPolarHBondContact O-CA 3.4Å; I157-S165 PolarHBondContact N-O 2.95Å; I157-S165 PolarHBondContact O-N 2.93Å; I157-T167 HydrophobicContact CD1-CG2 3.43Å; I157-T167 VanDerWaalsContact CD1-CG2 3.43Å; I157-T167 HydrophobicContact CG1-CG2 4.09Å
158H89.9Confident91.5Very high111 Ų11184.4 Ų84.451%0.51441%0.408SS..EExtended strand (participates in β ladder)trans-70.8122.4172.4-173.8-95.5000109.4D161 Y164H158-D161 PolarHBondContact NE2-O 3.47Å; H158-Y164 HydrophobicContact CB-CE1 4.46Å
159V88.4Confident91.3Very high87 Ų8785.1 Ų85.153%0.52741%0.411SS..EExtended strand (participates in β ladder)trans-100.3-68.7-178-179.10000110.2I157 W163I157-V159 PolarHBondContact O-N 3.48Å; V159-W163 PolarHBondContact N-O 2.97Å
160V88.5Confident91.1Very high82 Ų8282.8 Ų82.850%0.49740%0.399SS..EExtended strand (participates in β ladder)trans-151.8142.5177.4177.50000108.2L162 W163V160-L162 PolarHBondContact O-N 3.39Å; V160-W163 VanDerWaalsContact O-CB 3.29Å; V160-W163 WeakPolarHBondContact O-CB 3.5Å; V160-W163 VanDerWaalsContact O-CD1 3.29Å; V160-W163 PolarHBondContact O-N 3.03Å
161D83.7Confident90.8Very high127 Ų12786.8 Ų86.868%0.67942%0.421SS*.THydrogen-bonded Turntrans50.6-116.4176.5-57.6-32.8000114.4H158H158-D161 PolarHBondContact NE2-O 3.47Å
162L80.9Confident90.6Very high159 Ų15987.5 Ų87.583%0.83243%0.426SS*.THydrogen-bonded Turntrans-96.16.9178.3-65.3175.2000112.8V160V160-L162 PolarHBondContact O-N 3.39Å
163W86.7Confident90.7Very high188 Ų18892.4 Ų92.471%0.71244%0.441SS*.EExtended strand (participates in β ladder)trans-90.7116.9-174.8-58.397000111.2V159 V160V159-W163 PolarHBondContact N-O 2.97Å; V160-W163 VanDerWaalsContact O-CB 3.29Å; V160-W163 WeakPolarHBondContact O-CB 3.5Å; V160-W163 VanDerWaalsContact O-CD1 3.29Å; V160-W163 PolarHBondContact O-N 3.03Å
164Y87.2Confident90.7Very high120 Ų12089.5 Ų89.547%0.47144%0.438SS..EExtended strand (participates in β ladder)trans-100.6138.3168.7-68.4-92.1000109.7I157 H158I157-Y164 WeakPolarHBondContact O-CA 3.4Å; H158-Y164 HydrophobicContact CB-CE1 4.46Å
165S90.9Very high90.7Very high56 Ų5686.4 Ų86.439%0.39242%0.423SS..EExtended strand (participates in β ladder)trans-103.1138.2163.2-177.80000108.6S156 I157S156-S165 CarbonylContact C-O 3.48Å; S156-S165 WeakPolarHBondContact CA-O 3.35Å; I157-S165 PolarHBondContact N-O 2.95Å; I157-S165 PolarHBondContact O-N 2.93Å
166F91.5Very high90.7Very high91 Ų9186.7 Ų86.740%0.39942%0.424SS..EExtended strand (participates in β ladder)trans-99.7135.1173.3-65.5-91.7000109.2W151 L152 R155W151-F166 HydrophobicContact CB-CD1 3.93Å; W151-F166 HydrophobicContact CB-CE1 3.89Å; W151-F166 HydrophobicContact CE3-CD1 4.46Å; W151-F166 WeakPolarHBondContact O-CE1 3.4Å; L152-F166 HydrophobicContact CD1-CZ 4.47Å; R155-F166 WeakPolarHBondContact O-CA 3.16Å
167T92.3Very high90.7Very high45 Ų4589.2 Ų89.228%0.27644%0.439SS..  trans-123.7138.1-176.7580000111.1R155 I157R155-T167 WeakPolarHBondContact CB-O 3.41Å; R155-T167 WeakPolarHBondContact CD-O 3.29Å; R155-T167 PolarHBondContact O-N 3.34Å; R155-T167 PolarHBondContact O-OG1 2.69Å; I157-T167 HydrophobicContact CD1-CG2 3.43Å; I157-T167 VanDerWaalsContact CD1-CG2 3.43Å; I157-T167 HydrophobicContact CG1-CG2 4.09Å
168Y93.3Very high90.7Very high85 Ų8588.4 Ų88.433%0.33343%0.434SS..  trans-70.6128.4165.7-61.8-71.1000109.1W151 E208 T209W151-Y168 HydrophobicContact CH2-CD1 4.02Å; W151-Y168 AromaticContact CH2-CE1 3.86Å; W151-Y168 HydrophobicContact CH2-CE1 3.86Å; W151-Y168 HydrophobicContact CZ3-CD1 4.35Å; W151-Y168 HydrophobicContact CZ3-CE1 4.36Å; Y168-E208 WeakPolarHBondContact CA-OE2 3.41Å; Y168-E208 WeakPolarHBondContact CB-OE2 3.44Å; Y168-E208 HydrophobicContact CD1-CB 3.56Å; Y168-E208 HydrophobicContact CE1-CB 4.35Å; Y168-E208 WeakPolarHBondContact CE1-O 3.45Å; Y168-E208 HydrophobicContact CG-CB 4.13Å; Y168-T209 HydrophobicContact CD2-CG2 3.38Å; Y168-T209 HydrophobicContact CE2-CG2 3.67Å; Y168-T209 HydrophobicContact CG-CG2 3.9Å
169K93.1Very high90.8Very high116 Ų11684.1 Ų84.150%0.50442%0.416SS..  trans-160.493.5-173.3-174.5-175.3173.7-170.40108.8R155 S205 E208R155-K169 PolarHBondContact NE-O 3.43Å; R155-K169 PolarHBondContact NH1-O 3.47Å; R155-K169 PolarHBondContact NH2-O 2.78Å; K169-S205 WeakPolarHBondContact CA-OG 3.34Å; K169-E208 PolarHBondContact N-OE2 3.2Å
170S92.5Very high91.1Very high6 Ų686.5 Ų86.54%0.04242%0.416CS..  trans-67.5141.1172.2-178.10000110.5F113 R114 T172 S205 E208F113-S170 WeakPolarHBondContact O-CA 3.43Å; F113-S170 PolarHBondContact O-OG 3.22Å; R114-S170 WeakPolarHBondContact CG-OG 3.16Å; S170-T172 VanDerWaalsContact C-N 3.27Å; S170-T172 VanDerWaalsContact OG-CG2 3.32Å; S170-T172 WeakPolarHBondContact OG-CG2 3.5Å; S170-T172 PolarHBondContact OG-N 3.41Å; S170-S205 PolarHBondContact N-OG 3.34Å; S170-E208 WeakPolarHBondContact CA-OE1 3.29Å; S170-E208 PolarHBondContact N-OE1 3.1Å
171D89.8Confident91.4Very high96 Ų9684.8 Ų84.851%0.51342%0.415SS..SBendtrans-83.4-5.8179.4-65.4-56000112.5F113 R155F113-D171 PolarHBondContact O-N 3.03Å; R155-D171 IonicContact CZ-OD2 2.88Å; R155-D171 IonicContact NH1-OD1 2.66Å; R155-D171 IonicContact NH1-OD2 2.89Å; R155-D171 PolarHBondContact NH1-OD2 2.8Å; R155-D171 IonicContact NH2-OD2 3Å; R155-D171 PolarHBondContact NH2-OD2 2.99Å
172T92.5Very high91.9Very high25 Ų2583.6 Ų83.615%0.15341%0.406CS..  trans-77.6144.7177.2-166.80000112.6S170 L174 A201 A204S170-T172 VanDerWaalsContact C-N 3.27Å; S170-T172 VanDerWaalsContact OG-CG2 3.32Å; S170-T172 WeakPolarHBondContact OG-CG2 3.5Å; S170-T172 PolarHBondContact OG-N 3.41Å; T172-L174 PolarHBondContact OG1-N 2.96Å; T172-L174 VanDerWaalsContact OG1-N 3.15Å; T172-A201 WeakPolarHBondContact O-CA 3.27Å; T172-A201 VanDerWaalsContact O-CB 3.31Å; T172-A201 WeakPolarHBondContact O-CB 3.36Å; T172-A204 HydrophobicContact CG2-CB 3.45Å; T172-A204 VanDerWaalsContact CG2-CB 3.45Å
173R94.6Very high92.6Very high162 Ų16276.2 Ų76.261%0.61137%0.367SS*.  trans-121.519.3168.1-61.7-175-172.5179.44.9111.4E197 W200R173-E197 HydrophobicContact CB-CB 4.08Å; R173-E197 HydrophobicContact CB-CG 4.21Å; R173-W200 VanDerWaalsContact O-CE3 3.24Å
174L95Very high93Very high118 Ų11870.4 Ų70.462%0.61835%0.349SS*.SBendtrans-111.1153.9-176.9-61.8177.6000109.3T172T172-L174 PolarHBondContact OG1-N 2.96Å; T172-L174 VanDerWaalsContact OG1-N 3.15Å
175P94.8Very high93.4Very high16 Ų1669 Ų6910%0.10435%0.347CS..  trans-56.6144.4169.126.7-36000110.2P177 Y180 D183 I184P175-P177 WeakPolarHBondContact O-CD 3.41Å; P175-Y180 HydrophobicContact CB-CD2 3.96Å; P175-Y180 HydrophobicContact CB-CE2 4.24Å; P175-Y180 HydrophobicContact CG-CD2 3.58Å; P175-Y180 HydrophobicContact CG-CE2 3.41Å; P175-Y180 VanDerWaalsContact CG-CE2 3.41Å; P175-D183 WeakPolarHBondContact CA-OD2 3.31Å; P175-D183 HydrophobicContact CB-CB 3.6Å; P175-I184 HydrophobicContact CG-CD1 4.29Å
176R93.4Very high93.6Very high11 Ų1170 Ų704%0.04235%0.346CS..  trans-59.6124.3176.5-67.6-179.8-63158.72.5110E178 S179 Y180 D183 F213R176-E178 PolarHBondContact O-N 3.04Å; R176-S179 VanDerWaalsContact NH2-CB 3.34Å; R176-S179 CarbonylContact O-C 3.49Å; R176-S179 VanDerWaalsContact O-C 3.26Å; R176-S179 PolarHBondContact O-N 3.24Å; R176-S179 VanDerWaalsContact O-N 3.09Å; R176-Y180 VanDerWaalsContact O-CA 3.29Å; R176-Y180 WeakPolarHBondContact O-CA 3.44Å; R176-Y180 PolarHBondContact O-N 2.96Å; R176-D183 WeakPolarHBondContact CB-OD2 3.35Å; R176-D183 VanDerWaalsContact CG-OD2 3.27Å; R176-D183 WeakPolarHBondContact CG-OD2 3.26Å; R176-D183 IonicContact CZ-OD1 2.71Å; R176-D183 PolarHBondContact N-OD2 3.37Å; R176-D183 IonicContact NE-OD1 3.15Å; R176-D183 PolarHBondContact NE-OD1 3.41Å; R176-D183 IonicContact NE-OD2 3.83Å; R176-D183 PolarHBondContact NE-OD2 3.02Å; R176-D183 IonicContact NH2-OD1 3.41Å; R176-D183 PolarHBondContact NH2-OD1 2.95Å; R176-F213 PolarHBondContact NH1-O 3.28Å; R176-F213 VanDerWaalsContact NH1-O 3.11Å; R176-F213 PolarHBondContact NH2-O 3.11Å
177P93.4Very high93.8Very high86 Ų8665.7 Ų65.756%0.55833%0.327SS*.G310 helixtrans-58.6-33.8179.6-29.839.5000113.8Y110 P175 S179Y110-P177 HydrophobicContact CD2-CB 4.41Å; Y110-P177 HydrophobicContact CG-CB 4.38Å; Y110-P177 HydrophobicContact CG-CG 4.5Å; P175-P177 WeakPolarHBondContact O-CD 3.41Å; P177-S179 VanDerWaalsContact C-N 3.33Å
178E91.7Very high93.9Very high70 Ų7070 Ų7033%0.32734%0.339SS..G310 helixtrans-75.2-17.2178.473-78.2-170.300114.6Y110 F111 R114 R176Y110-E178 HydrophobicContact CE2-CB 4.13Å; F111-E178 HydrophobicContact CE1-CG 4.38Å; R114-E178 IonicContact CZ-OE1 2.73Å; R114-E178 IonicContact NH1-OE1 3.89Å; R114-E178 PolarHBondContact NH1-OE1 3.15Å; R114-E178 IonicContact NH2-OE1 2.72Å; R114-E178 PolarHBondContact NH2-OE1 3.4Å; R176-E178 PolarHBondContact O-N 3.04Å
179S92.5Very high94.1Very high20 Ų2073 Ų7314%0.1436%0.356CS..G310 helixtrans-137.341-178.1-54.40000110.8R176 P177 G181 E182 D183R176-S179 VanDerWaalsContact NH2-CB 3.34Å; R176-S179 CarbonylContact O-C 3.49Å; R176-S179 VanDerWaalsContact O-C 3.26Å; R176-S179 PolarHBondContact O-N 3.24Å; R176-S179 VanDerWaalsContact O-N 3.09Å; P177-S179 VanDerWaalsContact C-N 3.33Å; S179-G181 VanDerWaalsContact C-N 3.32Å; S179-G181 PolarHBondContact O-N 2.93Å; S179-E182 WeakPolarHBondContact CA-OE2 3.36Å; S179-E182 PolarHBondContact O-N 3.36Å; S179-D183 WeakPolarHBondContact O-CB 3.48Å; S179-D183 PolarHBondContact O-N 2.87Å
180Y94.2Very high94.2Very high138 Ų13869 Ų6954%0.54134%0.339SS..Hα-helixtrans-62.4-41.1-171.5-176.6-87.9000111.6P175 R176 I184P175-Y180 HydrophobicContact CB-CD2 3.96Å; P175-Y180 HydrophobicContact CB-CE2 4.24Å; P175-Y180 HydrophobicContact CG-CD2 3.58Å; P175-Y180 HydrophobicContact CG-CE2 3.41Å; P175-Y180 VanDerWaalsContact CG-CE2 3.41Å; R176-Y180 VanDerWaalsContact O-CA 3.29Å; R176-Y180 WeakPolarHBondContact O-CA 3.44Å; R176-Y180 PolarHBondContact O-N 2.96Å; Y180-I184 HydrophobicContact CD1-CG1 3.92Å; Y180-I184 HydrophobicContact CE1-CD1 4.2Å; Y180-I184 HydrophobicContact CE1-CG1 3.57Å; Y180-I184 HydrophobicContact CE2-CD1 4.44Å; Y180-I184 HydrophobicContact CE2-CG1 4.35Å; Y180-I184 HydrophobicContact CG-CG1 4.44Å; Y180-I184 WeakPolarHBondContact O-CB 3.4Å; Y180-I184 WeakPolarHBondContact O-CG1 3.27Å; Y180-I184 PolarHBondContact O-N 3.39Å
181G95.4Very high94.4Very high46 Ų4673.3 Ų73.347%0.47437%0.369SS..Hα-helixtrans-64-47-178.800000112S179 I184 E185S179-G181 VanDerWaalsContact C-N 3.32Å; S179-G181 PolarHBondContact O-N 2.93Å; G181-I184 PolarHBondContact O-N 3.38Å; G181-E185 WeakPolarHBondContact O-CB 3.35Å; G181-E185 PolarHBondContact O-N 3.34Å
182E94.6Very high94.7Very high102 Ų10278.1 Ų78.148%0.47738%0.38SS..Hα-helixtrans-62.7-47178.5-61.875.1-166.600110.7S179 I184 E185 M186S179-E182 WeakPolarHBondContact CA-OE2 3.36Å; S179-E182 PolarHBondContact O-N 3.36Å; E182-I184 VanDerWaalsContact C-N 3.31Å; E182-I184 PolarHBondContact O-N 2.84Å; E182-E185 PolarHBondContact O-N 2.89Å; E182-M186 VanDerWaalsContact O-CB 3.27Å; E182-M186 WeakPolarHBondContact O-CB 3.41Å; E182-M186 PolarHBondContact O-N 3.4Å
183D95.1Very high94.9Very high3 Ų381.5 Ų81.52%0.01639%0.394CS..Hα-helixtrans-65.7-33.1-179.5-80.622.7000112.4P175 R176 S179 W200P175-D183 WeakPolarHBondContact CA-OD2 3.31Å; P175-D183 HydrophobicContact CB-CB 3.6Å; R176-D183 WeakPolarHBondContact CB-OD2 3.35Å; R176-D183 VanDerWaalsContact CG-OD2 3.27Å; R176-D183 WeakPolarHBondContact CG-OD2 3.26Å; R176-D183 IonicContact CZ-OD1 2.71Å; R176-D183 PolarHBondContact N-OD2 3.37Å; R176-D183 IonicContact NE-OD1 3.15Å; R176-D183 PolarHBondContact NE-OD1 3.41Å; R176-D183 IonicContact NE-OD2 3.83Å; R176-D183 PolarHBondContact NE-OD2 3.02Å; R176-D183 IonicContact NH2-OD1 3.41Å; R176-D183 PolarHBondContact NH2-OD1 2.95Å; S179-D183 WeakPolarHBondContact O-CB 3.48Å; S179-D183 PolarHBondContact O-N 2.87Å; D183-W200 PolarHBondContact O-NE1 2.89Å
184I95.8Very high95Very high66 Ų6677.2 Ų77.234%0.33839%0.394SS..Hα-helixtrans-73.5-45.5175.2-69.6-68000111.4P175 Y180 G181 E182 M186 V187 R188 W200P175-I184 HydrophobicContact CG-CD1 4.29Å; Y180-I184 HydrophobicContact CD1-CG1 3.92Å; Y180-I184 HydrophobicContact CE1-CD1 4.2Å; Y180-I184 HydrophobicContact CE1-CG1 3.57Å; Y180-I184 HydrophobicContact CE2-CD1 4.44Å; Y180-I184 HydrophobicContact CE2-CG1 4.35Å; Y180-I184 HydrophobicContact CG-CG1 4.44Å; Y180-I184 WeakPolarHBondContact O-CB 3.4Å; Y180-I184 WeakPolarHBondContact O-CG1 3.27Å; Y180-I184 PolarHBondContact O-N 3.39Å; G181-I184 PolarHBondContact O-N 3.38Å; E182-I184 VanDerWaalsContact C-N 3.31Å; E182-I184 PolarHBondContact O-N 2.84Å; I184-M186 VanDerWaalsContact C-N 3.34Å; I184-M186 PolarHBondContact O-N 3.4Å; I184-V187 PolarHBondContact O-N 3.02Å; I184-R188 PolarHBondContact O-N 2.88Å; I184-W200 HydrophobicContact CD1-CZ2 4.05Å
185E95.8Very high95.1Very high90 Ų9077.4 Ų77.442%0.42139%0.39SS..Hα-helixtrans-62.4-43179.6175.659.3-168.300111.2G181 E182 V187 R188G181-E185 WeakPolarHBondContact O-CB 3.35Å; G181-E185 PolarHBondContact O-N 3.34Å; E182-E185 PolarHBondContact O-N 2.89Å; E185-V187 PolarHBondContact O-N 3.38Å; E185-R188 WeakPolarHBondContact O-CB 3.25Å; E185-R188 PolarHBondContact O-N 3.15Å; E185-R188 IonicContact OE1-CZ 2.78Å; E185-R188 IonicContact OE1-NE 3.68Å; E185-R188 IonicContact OE1-NH1 3.55Å; E185-R188 PolarHBondContact OE1-NH1 3.39Å; E185-R188 IonicContact OE1-NH2 3.38Å; E185-R188 PolarHBondContact OE1-NH2 3.27Å; E185-R188 WeakPolarHBondContact OE2-CD 3.49Å; E185-R188 IonicContact OE2-CZ 2.72Å; E185-R188 IonicContact OE2-NE 3.66Å; E185-R188 IonicContact OE2-NH1 2.73Å; E185-R188 PolarHBondContact OE2-NH1 2.92Å
186M93.7Very high95.2Very high77 Ų7780 Ų8038%0.37940%0.397SS..Hα-helixtrans-55.1-38.1178.2174.3-173.159.700113.1E182 I184 T199 I203E182-M186 VanDerWaalsContact O-CB 3.27Å; E182-M186 WeakPolarHBondContact O-CB 3.41Å; E182-M186 PolarHBondContact O-N 3.4Å; I184-M186 VanDerWaalsContact C-N 3.34Å; I184-M186 PolarHBondContact O-N 3.4Å; M186-T199 HydrophobicContact CE-CG2 3.67Å; M186-T199 HydrophobicContact SD-CG2 3.99Å; M186-I203 HydrophobicContact CE-CD1 3.24Å; M186-I203 HydrophobicContact SD-CD1 3.01Å; M186-I203 WeakPolarHBondContact SD-CD1 3.33Å; M186-I203 HydrophobicContact SD-CG1 4.48Å
187V96Very high95.4Very high1 Ų182 Ų821%0.00641%0.407CS..THydrogen-bonded Turntrans-96.96.2-179.2-53.80000113.3I184 E185 H189 I190 R196 T199 W200I184-V187 PolarHBondContact O-N 3.02Å; E185-V187 PolarHBondContact O-N 3.38Å; V187-H189 PolarHBondContact O-N 2.6Å; V187-H189 VanDerWaalsContact O-N 3.12Å; V187-I190 HydrophobicContact CB-CB 4.46Å; V187-I190 HydrophobicContact CB-CD1 4.1Å; V187-I190 HydrophobicContact CG1-CD1 4.12Å; V187-I190 WeakPolarHBondContact O-CB 3.42Å; V187-I190 PolarHBondContact O-N 3.41Å; V187-R196 HydrophobicContact CB-CB 4.21Å; V187-R196 HydrophobicContact CB-CG 3.96Å; V187-R196 HydrophobicContact CG1-CB 4.4Å; V187-R196 HydrophobicContact CG2-CB 4.19Å; V187-R196 HydrophobicContact CG2-CG 4.02Å; V187-R196 PolarHBondContact O-NE 3.02Å; V187-T199 HydrophobicContact CG1-CG2 3.94Å; V187-W200 HydrophobicContact CG2-CH2 4.4Å; V187-W200 HydrophobicContact CG2-CZ2 3.43Å; V187-W200 VanDerWaalsContact CG2-CZ2 3.43Å
188R95.9Very high95.5Very high136 Ų13686.1 Ų86.151%0.51341%0.412SS..THydrogen-bonded Turntrans-52.6-39.1-176.5-175.1-178.767.6-160.9-6.5112.6I184 E185I184-R188 PolarHBondContact O-N 2.88Å; E185-R188 WeakPolarHBondContact O-CB 3.25Å; E185-R188 PolarHBondContact O-N 3.15Å; E185-R188 IonicContact OE1-CZ 2.78Å; E185-R188 IonicContact OE1-NE 3.68Å; E185-R188 IonicContact OE1-NH1 3.55Å; E185-R188 PolarHBondContact OE1-NH1 3.39Å; E185-R188 IonicContact OE1-NH2 3.38Å; E185-R188 PolarHBondContact OE1-NH2 3.27Å; E185-R188 WeakPolarHBondContact OE2-CD 3.49Å; E185-R188 IonicContact OE2-CZ 2.72Å; E185-R188 IonicContact OE2-NE 3.66Å; E185-R188 IonicContact OE2-NH1 2.73Å; E185-R188 PolarHBondContact OE2-NH1 2.92Å
189H96.3Very high95.7Very high149 Ų14984 Ų8469%0.6940%0.404SS*.THydrogen-bonded Turntrans-84.3-7.1-178.5-58.2-64.7000114.2V187V187-H189 PolarHBondContact O-N 2.6Å; V187-H189 VanDerWaalsContact O-N 3.12Å
190I96.3Very high95.8Very high30 Ų3083.8 Ų83.815%0.15440%0.4CS..  trans-88116.5178.1-60.9176.4000107.5V187 K195 R196V187-I190 HydrophobicContact CB-CB 4.46Å; V187-I190 HydrophobicContact CB-CD1 4.1Å; V187-I190 HydrophobicContact CG1-CD1 4.12Å; V187-I190 WeakPolarHBondContact O-CB 3.42Å; V187-I190 PolarHBondContact O-N 3.41Å; I190-K195 HydrophobicContact CD1-CG 4.44Å; I190-K195 HydrophobicContact CG2-CB 3.67Å; I190-K195 HydrophobicContact CG2-CD 3.96Å; I190-K195 HydrophobicContact CG2-CG 3.79Å; I190-R196 HydrophobicContact CB-CG 4.01Å; I190-R196 HydrophobicContact CG2-CG 3.73Å; I190-R196 PolarHBondContact O-NE 3.38Å; I190-R196 PolarHBondContact O-NH2 2.92Å
191S94.9Very high95.9Very high97 Ų9778.2 Ų78.268%0.67838%0.382SS*.  trans-79.9-33.6179.151.50000113.3Q193S191-Q193 PolarHBondContact O-N 2.85Å
192W96.3Very high95.8Very high197 Ų19781.8 Ų81.875%0.74639%0.387SS*.  trans-81.3115.9-175.6-61.3111.9000112.1A194 K195 R196W192-A194 VanDerWaalsContact C-N 3.32Å; W192-A194 PolarHBondContact O-N 2.88Å; W192-K195 HydrophobicContact CB-CB 4.11Å; W192-K195 WeakPolarHBondContact O-CA 3.41Å; W192-K195 WeakPolarHBondContact O-CB 3.32Å; W192-K195 PolarHBondContact O-N 2.93Å; W192-R196 PolarHBondContact O-N 2.74Å; W192-R196 VanDerWaalsContact O-N 3.11Å
193Q96.3Very high95.8Very high96 Ų9678.3 Ų78.345%0.44937%0.371SS..Hα-helixtrans-53.3-45179.5-178.35922.800113S191 K195 R196 E197S191-Q193 PolarHBondContact O-N 2.85Å; Q193-K195 PolarHBondContact O-N 3.41Å; Q193-R196 WeakPolarHBondContact O-CB 3.45Å; Q193-R196 PolarHBondContact O-N 3.28Å; Q193-E197 WeakPolarHBondContact CG-OE1 3.47Å; Q193-E197 PolarHBondContact NE2-OE1 2.66Å; Q193-E197 VanDerWaalsContact NE2-OE1 3.1Å; Q193-E197 PolarHBondContact O-N 3.28Å
194A97.1Very high95.7Very high72 Ų7278.1 Ų78.160%0.59537%0.37SS*.Hα-helixtrans-60.7-29.8177.600000113.4W192 R198W192-A194 VanDerWaalsContact C-N 3.32Å; W192-A194 PolarHBondContact O-N 2.88Å; A194-R198 WeakPolarHBondContact O-CB 3.31Å; A194-R198 PolarHBondContact O-N 3.37Å; A194-R198 VanDerWaalsContact O-N 3.13Å
195K97.1Very high95.6Very high123 Ų12375.9 Ų75.954%0.53536%0.36SS..Hα-helixtrans-76.6-36.9175.3-172.9174176.9-178.20110.9I190 W192 Q193 R198 T199I190-K195 HydrophobicContact CD1-CG 4.44Å; I190-K195 HydrophobicContact CG2-CB 3.67Å; I190-K195 HydrophobicContact CG2-CD 3.96Å; I190-K195 HydrophobicContact CG2-CG 3.79Å; W192-K195 HydrophobicContact CB-CB 4.11Å; W192-K195 WeakPolarHBondContact O-CA 3.41Å; W192-K195 WeakPolarHBondContact O-CB 3.32Å; W192-K195 PolarHBondContact O-N 2.93Å; Q193-K195 PolarHBondContact O-N 3.41Å; K195-R198 PolarHBondContact O-N 2.97Å; K195-T199 PolarHBondContact O-N 3.2Å; K195-T199 PolarHBondContact O-OG1 3.48Å; K195-T199 VanDerWaalsContact O-OG1 3.05Å
196R97.3Very high95.4Very high71 Ų7172.4 Ų72.427%0.26835%0.349SS..Hα-helixtrans-59.8-50.5172.1-57.5-171.9169.9-178.9-4.6111.3V187 I190 W192 Q193 R198 T199 W200V187-R196 HydrophobicContact CB-CB 4.21Å; V187-R196 HydrophobicContact CB-CG 3.96Å; V187-R196 HydrophobicContact CG1-CB 4.4Å; V187-R196 HydrophobicContact CG2-CB 4.19Å; V187-R196 HydrophobicContact CG2-CG 4.02Å; V187-R196 PolarHBondContact O-NE 3.02Å; I190-R196 HydrophobicContact CB-CG 4.01Å; I190-R196 HydrophobicContact CG2-CG 3.73Å; I190-R196 PolarHBondContact O-NE 3.38Å; I190-R196 PolarHBondContact O-NH2 2.92Å; W192-R196 PolarHBondContact O-N 2.74Å; W192-R196 VanDerWaalsContact O-N 3.11Å; Q193-R196 WeakPolarHBondContact O-CB 3.45Å; Q193-R196 PolarHBondContact O-N 3.28Å; R196-R198 VanDerWaalsContact C-N 3.3Å; R196-R198 PolarHBondContact O-N 3.31Å; R196-T199 WeakPolarHBondContact O-CB 3.45Å; R196-T199 PolarHBondContact O-N 2.91Å; R196-W200 HydrophobicContact CB-CE3 4.32Å; R196-W200 HydrophobicContact CB-CH2 3.9Å; R196-W200 HydrophobicContact CB-CZ2 4.16Å; R196-W200 HydrophobicContact CB-CZ3 3.98Å; R196-W200 PolarHBondContact O-N 3.2Å
197E97Very high95.3Very high53 Ų5369 Ų6925%0.24833%0.332CS..Hα-helixtrans-56.9-42.8177.1-74.1176.5-161.400112.6R173 Q193 W200 A201R173-E197 HydrophobicContact CB-CB 4.08Å; R173-E197 HydrophobicContact CB-CG 4.21Å; Q193-E197 WeakPolarHBondContact CG-OE1 3.47Å; Q193-E197 PolarHBondContact NE2-OE1 2.66Å; Q193-E197 VanDerWaalsContact NE2-OE1 3.1Å; Q193-E197 PolarHBondContact O-N 3.28Å; E197-W200 HydrophobicContact CG-CE3 4.31Å; E197-W200 HydrophobicContact CG-CZ3 4.22Å; E197-W200 PolarHBondContact O-N 3.09Å; E197-A201 WeakPolarHBondContact O-CB 3.37Å; E197-A201 PolarHBondContact O-N 2.66Å
198R96.3Very high95.1Very high172 Ų17269 Ų6965%0.64933%0.332SS*.Hα-helixtrans-62.7-44.4174.3-176.2-179.3-67.5173.2-1.7111.7A194 K195 R196 A201 Q202A194-R198 WeakPolarHBondContact O-CB 3.31Å; A194-R198 PolarHBondContact O-N 3.37Å; A194-R198 VanDerWaalsContact O-N 3.13Å; K195-R198 PolarHBondContact O-N 2.97Å; R196-R198 VanDerWaalsContact C-N 3.3Å; R196-R198 PolarHBondContact O-N 3.31Å; R198-A201 PolarHBondContact O-N 3.42Å; R198-Q202 HydrophobicContact CG-CG 4.42Å; R198-Q202 WeakPolarHBondContact O-CB 3.42Å; R198-Q202 VanDerWaalsContact O-CG 3.25Å; R198-Q202 WeakPolarHBondContact O-CG 3.37Å; R198-Q202 PolarHBondContact O-N 3.05Å
199T95.5Very high94.9Very high26 Ų2665.5 Ų65.516%0.1633%0.326CS..Hα-helixtrans-61.9-45178.7-62.20000111.6M186 V187 K195 R196 Q202 I203M186-T199 HydrophobicContact CE-CG2 3.67Å; M186-T199 HydrophobicContact SD-CG2 3.99Å; V187-T199 HydrophobicContact CG1-CG2 3.94Å; K195-T199 PolarHBondContact O-N 3.2Å; K195-T199 PolarHBondContact O-OG1 3.48Å; K195-T199 VanDerWaalsContact O-OG1 3.05Å; R196-T199 WeakPolarHBondContact O-CB 3.45Å; R196-T199 PolarHBondContact O-N 2.91Å; T199-Q202 PolarHBondContact O-N 2.9Å; T199-I203 HydrophobicContact CG2-CD1 4.16Å; T199-I203 PolarHBondContact O-N 3.32Å; T199-I203 VanDerWaalsContact O-N 3.09Å
200W95.4Very high94.3Very high15 Ų1561.2 Ų61.26%0.05732%0.322CS..Hα-helixtrans-62.9-44175.6-61.9-43000112.3R173 D183 I184 V187 R196 E197 Q202 I203 A204R173-W200 VanDerWaalsContact O-CE3 3.24Å; D183-W200 PolarHBondContact O-NE1 2.89Å; I184-W200 HydrophobicContact CD1-CZ2 4.05Å; V187-W200 HydrophobicContact CG2-CH2 4.4Å; V187-W200 HydrophobicContact CG2-CZ2 3.43Å; V187-W200 VanDerWaalsContact CG2-CZ2 3.43Å; R196-W200 HydrophobicContact CB-CE3 4.32Å; R196-W200 HydrophobicContact CB-CH2 3.9Å; R196-W200 HydrophobicContact CB-CZ2 4.16Å; R196-W200 HydrophobicContact CB-CZ3 3.98Å; R196-W200 PolarHBondContact O-N 3.2Å; E197-W200 HydrophobicContact CG-CE3 4.31Å; E197-W200 HydrophobicContact CG-CZ3 4.22Å; E197-W200 PolarHBondContact O-N 3.09Å; W200-Q202 VanDerWaalsContact C-N 3.3Å; W200-Q202 PolarHBondContact O-N 3.21Å; W200-I203 PolarHBondContact O-N 3Å; W200-A204 WeakPolarHBondContact O-CB 3.01Å; W200-A204 PolarHBondContact O-N 2.93Å
201A94.9Very high93.7Very high21 Ų2162.8 Ų62.817%0.17434%0.335CS..Hα-helixtrans-60.7-39.3175.900000112.2T172 E197 R198 S205T172-A201 WeakPolarHBondContact O-CA 3.27Å; T172-A201 VanDerWaalsContact O-CB 3.31Å; T172-A201 WeakPolarHBondContact O-CB 3.36Å; E197-A201 WeakPolarHBondContact O-CB 3.37Å; E197-A201 PolarHBondContact O-N 2.66Å; R198-A201 PolarHBondContact O-N 3.42Å; A201-S205 WeakPolarHBondContact O-CB 3.44Å; A201-S205 PolarHBondContact O-N 3.35Å; A201-S205 PolarHBondContact O-OG 2.9Å
202Q94.3Very high92.8Very high121 Ų12164.5 Ų64.557%0.56534%0.336SS*.Hα-helixtrans-64.5-42.9177.9-76.9176-46.900112.2R198 T199 W200 S205 G206R198-Q202 HydrophobicContact CG-CG 4.42Å; R198-Q202 WeakPolarHBondContact O-CB 3.42Å; R198-Q202 VanDerWaalsContact O-CG 3.25Å; R198-Q202 WeakPolarHBondContact O-CG 3.37Å; R198-Q202 PolarHBondContact O-N 3.05Å; T199-Q202 PolarHBondContact O-N 2.9Å; W200-Q202 VanDerWaalsContact C-N 3.3Å; W200-Q202 PolarHBondContact O-N 3.21Å; Q202-S205 PolarHBondContact O-N 3.13Å; Q202-G206 PolarHBondContact O-N 3.4Å
203I93.9Very high91.8Very high28 Ų2859 Ų5914%0.14432%0.318CS..Hα-helixtrans-70.5-44.5178.1-77.2156.2000111.4M186 T199 W200 S205 G206 V207 F213M186-I203 HydrophobicContact CE-CD1 3.24Å; M186-I203 HydrophobicContact SD-CD1 3.01Å; M186-I203 WeakPolarHBondContact SD-CD1 3.33Å; M186-I203 HydrophobicContact SD-CG1 4.48Å; T199-I203 HydrophobicContact CG2-CD1 4.16Å; T199-I203 PolarHBondContact O-N 3.32Å; T199-I203 VanDerWaalsContact O-N 3.09Å; W200-I203 PolarHBondContact O-N 3Å; I203-S205 PolarHBondContact O-N 2.76Å; I203-G206 WeakPolarHBondContact O-CA 3.35Å; I203-G206 PolarHBondContact O-N 3.5Å; I203-V207 WeakPolarHBondContact O-CG2 3.36Å; I203-V207 PolarHBondContact O-N 2.93Å; I203-F213 HydrophobicContact CG2-CD2 4.33Å
204A93Very high90.5Very high0 Ų062.2 Ų62.20%035%0.351CS..Hα-helixtrans-56.3-40.5173.900000111.7R114 T172 W200 V207R114-A204 WeakPolarHBondContact CD-O 3.37Å; R114-A204 HydrophobicContact CG-CB 4.42Å; T172-A204 HydrophobicContact CG2-CB 3.45Å; T172-A204 VanDerWaalsContact CG2-CB 3.45Å; W200-A204 WeakPolarHBondContact O-CB 3.01Å; W200-A204 PolarHBondContact O-N 2.93Å; A204-V207 PolarHBondContact O-N 3.05Å
205S93.8Very high90.1Very high18 Ų1861.8 Ų61.813%0.12634%0.339CS..Hα-helixtrans-68.6-37.6174.7-53.40000112.5K169 S170 A201 Q202 I203 V207 E208K169-S205 WeakPolarHBondContact CA-OG 3.34Å; S170-S205 PolarHBondContact N-OG 3.34Å; A201-S205 WeakPolarHBondContact O-CB 3.44Å; A201-S205 PolarHBondContact O-N 3.35Å; A201-S205 PolarHBondContact O-OG 2.9Å; Q202-S205 PolarHBondContact O-N 3.13Å; I203-S205 PolarHBondContact O-N 2.76Å; S205-V207 VanDerWaalsContact C-N 3.27Å; S205-V207 PolarHBondContact O-N 3.03Å; S205-E208 WeakPolarHBondContact O-CB 3.45Å; S205-E208 PolarHBondContact O-N 2.91Å
206G92.5Very high89.8Confident18 Ų1858.5 Ų58.519%0.18633%0.329CS..Hα-helixtrans-59.9-39.2174.300000112Q202 I203 E208 T209Q202-G206 PolarHBondContact O-N 3.4Å; I203-G206 WeakPolarHBondContact O-CA 3.35Å; I203-G206 PolarHBondContact O-N 3.5Å; G206-E208 VanDerWaalsContact C-N 3.28Å; G206-E208 PolarHBondContact O-N 3.12Å; G206-T209 WeakPolarHBondContact O-CB 3.45Å; G206-T209 WeakPolarHBondContact O-CG2 3.42Å; G206-T209 PolarHBondContact O-N 2.94Å; G206-T209 VanDerWaalsContact O-N 3.15Å; G206-T209 PolarHBondContact O-OG1 3.28Å
207V91.5Very high89.4Confident6 Ų657.8 Ų57.84%0.03633%0.332CS..Hα-helixtrans-64.7-31178.7175.70000112.5N105 I203 A204 S205 T209 G210 C211 F213N105-V207 VanDerWaalsContact ND2-CG1 3.32Å; N105-V207 WeakPolarHBondContact ND2-CG1 3.37Å; I203-V207 WeakPolarHBondContact O-CG2 3.36Å; I203-V207 PolarHBondContact O-N 2.93Å; A204-V207 PolarHBondContact O-N 3.05Å; S205-V207 VanDerWaalsContact C-N 3.27Å; S205-V207 PolarHBondContact O-N 3.03Å; V207-T209 PolarHBondContact O-N 3.49Å; V207-G210 PolarHBondContact O-N 3.04Å; V207-C211 WeakPolarHBondContact CA-O 3.12Å; V207-F213 HydrophobicContact CG2-CD2 3.59Å; V207-F213 HydrophobicContact CG2-CE2 3.95Å
208E92.6Very high88.9Confident0 Ų058.1 Ų58.10%034%0.337CS..THydrogen-bonded Turntrans-61.2-18.5176.5-55.2-173.4149.100113R114 S115 Q116 P117 Y168 K169 S170 S205 G206 G210R114-E208 VanDerWaalsContact CA-OE1 3.25Å; R114-E208 WeakPolarHBondContact CA-OE1 3.44Å; R114-E208 HydrophobicContact CB-CG 4.1Å; S115-E208 PolarHBondContact N-OE1 3.05Å; S115-E208 WeakPolarHBondContact O-CA 3.22Å; S115-E208 VanDerWaalsContact O-CB 3.32Å; S115-E208 WeakPolarHBondContact O-CB 3.31Å; S115-E208 WeakPolarHBondContact O-CG 3.49Å; S115-E208 PolarHBondContact OG-OE1 2.98Å; S115-E208 PolarHBondContact OG-OE2 3.45Å; Q116-E208 CarbonylContact C-O 3.44Å; P117-E208 WeakPolarHBondContact CD-O 3.25Å; Y168-E208 WeakPolarHBondContact CA-OE2 3.41Å; Y168-E208 WeakPolarHBondContact CB-OE2 3.44Å; Y168-E208 HydrophobicContact CD1-CB 3.56Å; Y168-E208 HydrophobicContact CE1-CB 4.35Å; Y168-E208 WeakPolarHBondContact CE1-O 3.45Å; Y168-E208 HydrophobicContact CG-CB 4.13Å; K169-E208 PolarHBondContact N-OE2 3.2Å; S170-E208 WeakPolarHBondContact CA-OE1 3.29Å; S170-E208 PolarHBondContact N-OE1 3.1Å; S205-E208 WeakPolarHBondContact O-CB 3.45Å; S205-E208 PolarHBondContact O-N 2.91Å; G206-E208 VanDerWaalsContact C-N 3.28Å; G206-E208 PolarHBondContact O-N 3.12Å; E208-G210 PolarHBondContact O-N 2.79Å
209T90.2Very high88.5Confident63 Ų6351 Ų5139%0.38732%0.317SS..THydrogen-bonded Turntrans-75.9-10.7176.2700000113.3Y168 G206 V207 C211Y168-T209 HydrophobicContact CD2-CG2 3.38Å; Y168-T209 HydrophobicContact CE2-CG2 3.67Å; Y168-T209 HydrophobicContact CG-CG2 3.9Å; G206-T209 WeakPolarHBondContact O-CB 3.45Å; G206-T209 WeakPolarHBondContact O-CG2 3.42Å; G206-T209 PolarHBondContact O-N 2.94Å; G206-T209 VanDerWaalsContact O-N 3.15Å; G206-T209 PolarHBondContact O-OG1 3.28Å; V207-T209 PolarHBondContact O-N 3.49Å; T209-C211 VanDerWaalsContact OG1-CB 3.29Å; T209-C211 WeakPolarHBondContact OG1-CB 3.44Å; T209-C211 PolarHBondContact OG1-N 2.69Å
210G85.2Confident88Confident59 Ų5952.7 Ų52.761%0.60833%0.328SS*.THydrogen-bonded Turntrans87.11.6-167.500000114.2V207 E208V207-G210 PolarHBondContact O-N 3.04Å; E208-G210 PolarHBondContact O-N 2.79Å
211C82.6Confident87.5Confident62 Ų6255.4 Ų55.442%0.41935%0.347SS..  trans-79.5123.7171-166.90000110.2V207 T209 F213V207-C211 WeakPolarHBondContact CA-O 3.12Å; T209-C211 VanDerWaalsContact OG1-CB 3.29Å; T209-C211 WeakPolarHBondContact OG1-CB 3.44Å; T209-C211 PolarHBondContact OG1-N 2.69Å; C211-F213 HydrophobicContact CB-CE2 4.2Å; C211-F213 HydrophobicContact CB-CZ 4.11Å; C211-F213 WeakPolarHBondContact O-CE2 3.49Å
212D76.9Confident86.9Confident134 Ų13458 Ų5872%0.71736%0.361SS*.  trans-93.6147.9176.2-159.66.1000111.3
213F75.1Confident86.3Confident81 Ų8152.8 Ų52.836%0.35534%0.344SS..  trans-129.5114.7-179-55.7-88.1000109.8R176 I203 V207 C211R176-F213 PolarHBondContact NH1-O 3.28Å; R176-F213 VanDerWaalsContact NH1-O 3.11Å; R176-F213 PolarHBondContact NH2-O 3.11Å; I203-F213 HydrophobicContact CG2-CD2 4.33Å; V207-F213 HydrophobicContact CG2-CD2 3.59Å; V207-F213 HydrophobicContact CG2-CE2 3.95Å; C211-F213 HydrophobicContact CB-CE2 4.2Å; C211-F213 HydrophobicContact CB-CZ 4.11Å; C211-F213 WeakPolarHBondContact O-CE2 3.49Å
214S68.2Low85.6Confident164 Ų16455 Ų55100%1.14736%0.362SS*.  trans-113.70175.265.50000111.7

Retrieved 214 of 214 residues in 267.8 ms (Link to these results)

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