A0A087XP29_POEFO Loading...

Transmembrane protein 117

AlphaFold DB , UniProt , Accession A0A087XP29, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 520 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
1M49.9Very low69.9Low203 Ų203121.1 Ų121.1100%158%0.583SS**  0-44.10-144.4164.955.100111.4D4 A5M1-D4 PolarHBondContact O-N 2.93Å; M1-A5 PolarHBondContact O-N 2.75Å
2E47.3Very low71.2Confident174 Ų174111.9 Ų111.981%0.81354%0.539SS*.Hα-helixtrans-68.3-38.9175-71.5-180156.500114.7D4 A5 C6E2-D4 PolarHBondContact O-N 3.15Å; E2-A5 PolarHBondContact O-N 3.04Å; E2-C6 WeakPolarHBondContact O-CB 3.31Å; E2-C6 PolarHBondContact O-N 2.9Å
3I55.3Low72.5Confident147 Ų147106.3 Ų106.375%0.75451%0.511SS*.Hα-helixtrans-62-35.9175.6-61.7173.5000111F7I3-F7 WeakPolarHBondContact O-CB 3.42Å; I3-F7 PolarHBondContact O-N 3.16Å
4D66.8Low73.6Confident107 Ų10798.8 Ų98.857%0.57248%0.475SS*.Hα-helixtrans-67.7-44.9178.7-176.154.1000111.4M1 E2 R8M1-D4 PolarHBondContact O-N 2.93Å; E2-D4 PolarHBondContact O-N 3.15Å; D4-R8 WeakPolarHBondContact O-CB 3.22Å; D4-R8 PolarHBondContact O-N 2.95Å
5A69.6Low74.7Confident63 Ų63102.5 Ų102.552%0.52148%0.482SS..Hα-helixtrans-65.2-41.6175.700000112.6M1 E2 Y9M1-A5 PolarHBondContact O-N 2.75Å; E2-A5 PolarHBondContact O-N 3.04Å; A5-Y9 WeakPolarHBondContact O-CB 3.41Å; A5-Y9 PolarHBondContact O-N 3.31Å
6C75.1Confident75.7Confident65 Ų6598.4 Ų98.444%0.43947%0.468SS..Hα-helixtrans-67.1-47.3178.5-172.50000111.6E2 R8 Y9 Y10E2-C6 WeakPolarHBondContact O-CB 3.31Å; E2-C6 PolarHBondContact O-N 2.9Å; C6-R8 PolarHBondContact O-N 3.49Å; C6-Y9 WeakPolarHBondContact O-CB 3.26Å; C6-Y9 PolarHBondContact O-N 3.2Å; C6-Y10 WeakPolarHBondContact O-CD2 3.22Å; C6-Y10 PolarHBondContact O-N 3.48Å; C6-Y10 VanDerWaalsContact O-N 3.1Å; C6-Y10 VanDerWaalsContact SG-CE2 3.57Å
7F77.8Confident76.5Confident129 Ų12992.8 Ų92.857%0.56644%0.441SS*.Hα-helixtrans-59.7-47.5175.9175.6-100.9000111.3I3 Y9 Y10 F11I3-F7 WeakPolarHBondContact O-CB 3.42Å; I3-F7 PolarHBondContact O-N 3.16Å; F7-Y9 VanDerWaalsContact C-N 3.3Å; F7-Y9 PolarHBondContact O-N 2.98Å; F7-Y10 PolarHBondContact O-N 2.87Å; F7-F11 HydrophobicContact CE1-CB 4.17Å; F7-F11 HydrophobicContact CE1-CG 4.22Å; F7-F11 HydrophobicContact CZ-CB 4.19Å; F7-F11 HydrophobicContact CZ-CD2 4.09Å; F7-F11 HydrophobicContact CZ-CG 4.14Å; F7-F11 WeakPolarHBondContact O-CB 3.35Å; F7-F11 PolarHBondContact O-N 2.99Å
8R78.1Confident77.4Confident124 Ų12488.8 Ų88.847%0.46842%0.423SS..Hα-helixtrans-60.5-39.7178.3-173.1172.2-179.9174.21.8112.3D4 C6 Q12 W259D4-R8 WeakPolarHBondContact O-CB 3.22Å; D4-R8 PolarHBondContact O-N 2.95Å; C6-R8 PolarHBondContact O-N 3.49Å; R8-Q12 HydrophobicContact CG-CG 4.3Å; R8-Q12 WeakPolarHBondContact O-CB 3.11Å; R8-Q12 WeakPolarHBondContact O-CG 3.24Å; R8-Q12 PolarHBondContact O-N 2.74Å; R8-W259 PolarHBondContact NH2-O 2.95Å
9Y81.2Confident78.2Confident114 Ų11489.5 Ų89.545%0.44743%0.428SS..Hα-helixtrans-60.8-46.6175.7-176.6-92.4000112.4A5 C6 F7 H13 Y182A5-Y9 WeakPolarHBondContact O-CB 3.41Å; A5-Y9 PolarHBondContact O-N 3.31Å; C6-Y9 WeakPolarHBondContact O-CB 3.26Å; C6-Y9 PolarHBondContact O-N 3.2Å; F7-Y9 VanDerWaalsContact C-N 3.3Å; F7-Y9 PolarHBondContact O-N 2.98Å; Y9-H13 WeakPolarHBondContact O-CB 3.45Å; Y9-H13 PolarHBondContact O-N 3.36Å; Y9-Y182 HydrophobicContact CD1-CE1 4.46Å; Y9-Y182 AromaticContact CD2-CE1 3.76Å; Y9-Y182 HydrophobicContact CD2-CE1 3.76Å; Y9-Y182 AromaticContact CD2-CZ 3.94Å; Y9-Y182 HydrophobicContact CE1-CE1 4.07Å; Y9-Y182 AromaticContact CE2-CD1 3.93Å; Y9-Y182 HydrophobicContact CE2-CD1 3.93Å; Y9-Y182 AromaticContact CE2-CE1 3.31Å; Y9-Y182 HydrophobicContact CE2-CE1 3.31Å; Y9-Y182 AromaticContact CE2-CZ 3.9Å; Y9-Y182 HydrophobicContact CG-CE1 4.31Å; Y9-Y182 AromaticContact CZ-CD1 3.95Å; Y9-Y182 AromaticContact CZ-CE1 3.48Å; Y9-Y182 VanDerWaalsContact CZ-CE1 3.48Å; Y9-Y182 PolarHBondContact O-OH 3.07Å
10Y83.5Confident78.9Confident155 Ų15585.7 Ų85.761%0.60841%0.411SS*.Hα-helixtrans-74.4-39.6178.6-73.9-68.8000113.1C6 F7 Q12 H13C6-Y10 WeakPolarHBondContact O-CD2 3.22Å; C6-Y10 PolarHBondContact O-N 3.48Å; C6-Y10 VanDerWaalsContact O-N 3.1Å; C6-Y10 VanDerWaalsContact SG-CE2 3.57Å; F7-Y10 PolarHBondContact O-N 2.87Å; Y10-Q12 PolarHBondContact O-N 2.76Å; Y10-H13 VanDerWaalsContact O-CB 3.24Å; Y10-H13 WeakPolarHBondContact O-CB 3.25Å; Y10-H13 PolarHBondContact O-N 3.34Å
11F83.9Confident79.5Confident51 Ų5181.7 Ų81.722%0.22439%0.392CS..Hα-helixtrans-64.1-42.4-178.5-176.4-112.1000111.9F7 H13 S16 L253 M256 Q257F7-F11 HydrophobicContact CE1-CB 4.17Å; F7-F11 HydrophobicContact CE1-CG 4.22Å; F7-F11 HydrophobicContact CZ-CB 4.19Å; F7-F11 HydrophobicContact CZ-CD2 4.09Å; F7-F11 HydrophobicContact CZ-CG 4.14Å; F7-F11 WeakPolarHBondContact O-CB 3.35Å; F7-F11 PolarHBondContact O-N 2.99Å; F11-H13 VanDerWaalsContact C-N 3.34Å; F11-S16 PolarHBondContact O-OG 3.34Å; F11-L253 HydrophobicContact CE2-CD2 4.15Å; F11-L253 HydrophobicContact CZ-CD2 4.03Å; F11-M256 HydrophobicContact CZ-CB 4.48Å; F11-Q257 HydrophobicContact CD1-CG 3.97Å; F11-Q257 HydrophobicContact CD2-CG 4.38Å; F11-Q257 HydrophobicContact CE1-CB 4.22Å; F11-Q257 HydrophobicContact CE1-CG 3.46Å; F11-Q257 VanDerWaalsContact CE1-CG 3.46Å; F11-Q257 HydrophobicContact CE2-CG 3.91Å; F11-Q257 HydrophobicContact CG-CG 4.41Å; F11-Q257 HydrophobicContact CZ-CG 3.42Å; F11-Q257 VanDerWaalsContact CZ-CG 3.42Å; F11-Q257 PolarHBondContact O-NE2 3.29Å
12Q85.7Confident81.5Confident11 Ų1177 Ų775%0.05136%0.364CS..THydrogen-bonded Turntrans-92.25.8179.9-54.3-175.9-51.600112.7R8 Y10 R17 D258 W259R8-Q12 HydrophobicContact CG-CG 4.3Å; R8-Q12 WeakPolarHBondContact O-CB 3.11Å; R8-Q12 WeakPolarHBondContact O-CG 3.24Å; R8-Q12 PolarHBondContact O-N 2.74Å; Y10-Q12 PolarHBondContact O-N 2.76Å; Q12-R17 WeakPolarHBondContact O-CD 3.47Å; Q12-D258 PolarHBondContact NE2-O 3.49Å; Q12-W259 HydrophobicContact CB-CE3 3.89Å; Q12-W259 HydrophobicContact CB-CH2 3.24Å; Q12-W259 HydrophobicContact CB-CZ2 4.18Å; Q12-W259 HydrophobicContact CB-CZ3 3.14Å; Q12-W259 HydrophobicContact CG-CE3 4.32Å; Q12-W259 HydrophobicContact CG-CH2 4.45Å; Q12-W259 HydrophobicContact CG-CZ3 3.94Å; Q12-W259 WeakPolarHBondContact O-CH2 3.41Å; Q12-W259 VanDerWaalsContact O-CZ2 3.31Å; Q12-W259 WeakPolarHBondContact O-CZ2 3.49Å
13H88.8Confident83.6Confident39 Ų3971.2 Ų71.218%0.18134%0.339CS..  trans-55.9139.9-178.4-171.3-81.3000111.3Y9 Y10 F11 W15 S16 R17 Y182 W185Y9-H13 WeakPolarHBondContact O-CB 3.45Å; Y9-H13 PolarHBondContact O-N 3.36Å; Y10-H13 VanDerWaalsContact O-CB 3.24Å; Y10-H13 WeakPolarHBondContact O-CB 3.25Å; Y10-H13 PolarHBondContact O-N 3.34Å; F11-H13 VanDerWaalsContact C-N 3.34Å; H13-W15 VanDerWaalsContact C-N 3.33Å; H13-W15 AromaticContact CE1-CD1 3.3Å; H13-W15 AromaticContact CE1-CG 3.94Å; H13-W15 AromaticContact ND1-CD1 3.75Å; H13-W15 AromaticContact ND1-CG 3.98Å; H13-W15 PolarHBondContact ND1-N 3.46Å; H13-W15 VanDerWaalsContact ND1-N 3.17Å; H13-W15 PolarHBondContact O-N 3.38Å; H13-S16 WeakPolarHBondContact O-CA 3.26Å; H13-S16 WeakPolarHBondContact O-CB 3.36Å; H13-S16 PolarHBondContact O-N 3.27Å; H13-R17 PolarHBondContact O-N 2.89Å; H13-R17 VanDerWaalsContact O-N 3.11Å; H13-Y182 AromaticContact CD2-CD1 3.87Å; H13-Y182 AromaticContact CD2-CE1 3.59Å; H13-W185 AromaticContact CE1-CD1 3.97Å
14P87.2Confident85.4Confident1 Ų164.3 Ų64.31%0.00630%0.303CS..Hα-helixtrans-50.8-45.4-177.5-31.334.8000114.9S16 R17 L18 M176 Y182 W185P14-S16 PolarHBondContact O-N 3.36Å; P14-R17 PolarHBondContact O-N 2.96Å; P14-L18 WeakPolarHBondContact O-CB 3.38Å; P14-L18 WeakPolarHBondContact O-CG 3.37Å; P14-L18 PolarHBondContact O-N 2.92Å; P14-M176 HydrophobicContact CB-CB 4.33Å; P14-M176 HydrophobicContact CB-CG 4.06Å; P14-M176 HydrophobicContact CB-SD 3.83Å; P14-M176 HydrophobicContact CG-SD 3.89Å; P14-Y182 HydrophobicContact CG-CD1 4.21Å; P14-Y182 HydrophobicContact CG-CD2 3.89Å; P14-Y182 HydrophobicContact CG-CG 3.73Å; P14-W185 HydrophobicContact CB-CD2 3.54Å; P14-W185 VanDerWaalsContact CB-CE2 3.43Å; P14-W185 HydrophobicContact CB-CE3 3.89Å; P14-W185 HydrophobicContact CB-CG 4.03Å; P14-W185 HydrophobicContact CB-CH2 4.06Å; P14-W185 HydrophobicContact CB-CZ2 3.73Å; P14-W185 HydrophobicContact CB-CZ3 4.13Å; P14-W185 HydrophobicContact CG-CD2 3.86Å; P14-W185 HydrophobicContact CG-CE3 4.09Å; P14-W185 HydrophobicContact CG-CG 4.03Å
15W89.9Confident86.5Confident155 Ų15559.9 Ų59.959%0.58728%0.28SS*.Hα-helixtrans-59.3-42.4175.2-69.2128000113.4H13 I19 W185H13-W15 VanDerWaalsContact C-N 3.33Å; H13-W15 AromaticContact CE1-CD1 3.3Å; H13-W15 AromaticContact CE1-CG 3.94Å; H13-W15 AromaticContact ND1-CD1 3.75Å; H13-W15 AromaticContact ND1-CG 3.98Å; H13-W15 PolarHBondContact ND1-N 3.46Å; H13-W15 VanDerWaalsContact ND1-N 3.17Å; H13-W15 PolarHBondContact O-N 3.38Å; W15-I19 VanDerWaalsContact O-CB 3.31Å; W15-I19 WeakPolarHBondContact O-CB 3.33Å; W15-I19 WeakPolarHBondContact O-CD1 3.19Å; W15-I19 WeakPolarHBondContact O-CG1 3.2Å; W15-I19 PolarHBondContact O-N 3.31Å; W15-W185 AromaticContact CD1-CD1 3.95Å; W15-W185 AromaticContact CD1-NE1 3.66Å; W15-W185 AromaticContact CD2-NE1 3.64Å; W15-W185 AromaticContact CE2-CD1 3.99Å; W15-W185 AromaticContact CE2-NE1 3.24Å; W15-W185 AromaticContact CG-NE1 3.85Å; W15-W185 AromaticContact CZ2-NE1 3.74Å; W15-W185 AromaticContact NE1-CD1 3.52Å; W15-W185 AromaticContact NE1-NE1 3.22Å
16S90.3Very high87.4Confident36 Ų3662.5 Ų62.525%0.25228%0.28SS..Hα-helixtrans-60.5-50.5178.2177.40000110.3F11 H13 P14 L18 I19 V20 Q257F11-S16 PolarHBondContact O-OG 3.34Å; H13-S16 WeakPolarHBondContact O-CA 3.26Å; H13-S16 WeakPolarHBondContact O-CB 3.36Å; H13-S16 PolarHBondContact O-N 3.27Å; P14-S16 PolarHBondContact O-N 3.36Å; S16-L18 PolarHBondContact O-N 3.49Å; S16-I19 PolarHBondContact O-N 3.42Å; S16-V20 WeakPolarHBondContact O-CG2 3.47Å; S16-V20 PolarHBondContact O-N 2.84Å; S16-Q257 PolarHBondContact OG-NE2 2.87Å; S16-Q257 VanDerWaalsContact OG-NE2 3.1Å
17R90.8Very high88.2Confident3 Ų361.4 Ų61.41%0.01127%0.267CS..Hα-helixtrans-62-44.4-179.5-66.5-17465.9168.72.5112.9Q12 H13 P14 A21 V172 M176 Q257 D258 W259Q12-R17 WeakPolarHBondContact O-CD 3.47Å; H13-R17 PolarHBondContact O-N 2.89Å; H13-R17 VanDerWaalsContact O-N 3.11Å; P14-R17 PolarHBondContact O-N 2.96Å; R17-A21 VanDerWaalsContact O-CB 3.32Å; R17-A21 WeakPolarHBondContact O-CB 3.21Å; R17-A21 PolarHBondContact O-N 3.23Å; R17-V172 HydrophobicContact CB-CG1 3.79Å; R17-M176 VanDerWaalsContact NH1-CE 3.33Å; R17-Q257 HydrophobicContact CG-CB 4.03Å; R17-Q257 PolarHBondContact NH1-O 2.99Å; R17-D258 IonicContact CZ-OD2 2.86Å; R17-D258 IonicContact NH1-OD2 2.7Å; R17-D258 IonicContact NH2-OD2 3.87Å; R17-D258 PolarHBondContact NH2-OD2 2.93Å; R17-W259 VanDerWaalsContact NH1-CD1 3.25Å; R17-W259 VanDerWaalsContact NH1-CE2 3.33Å
18L91.7Very high88.7Confident21 Ų2155.9 Ų55.911%0.1124%0.244CC..Hα-helixtrans-64.4-46177.6-67.7172.3000111.1P14 S16 V20 A21 Y22 V172 T173 W185P14-L18 WeakPolarHBondContact O-CB 3.38Å; P14-L18 WeakPolarHBondContact O-CG 3.37Å; P14-L18 PolarHBondContact O-N 2.92Å; S16-L18 PolarHBondContact O-N 3.49Å; L18-V20 PolarHBondContact O-N 3.16Å; L18-A21 PolarHBondContact O-N 3.08Å; L18-Y22 HydrophobicContact CB-CD2 4.42Å; L18-Y22 HydrophobicContact CD2-CE2 4.07Å; L18-Y22 WeakPolarHBondContact O-CD2 3.1Å; L18-Y22 PolarHBondContact O-N 2.86Å; L18-V172 HydrophobicContact CD2-CG1 4.36Å; L18-T173 HydrophobicContact CD2-CG2 4.49Å; L18-T173 WeakPolarHBondContact CD2-OG1 3.44Å; L18-W185 HydrophobicContact CD1-CH2 3.81Å; L18-W185 HydrophobicContact CD1-CZ2 3.54Å
19I92.6Very high89.1Confident103 Ų10352.4 Ų52.453%0.52823%0.232SC..Hα-helixtrans-58.8-51178.6-72.1165.8000109.8W15 S16 A21 Y22 L23W15-I19 VanDerWaalsContact O-CB 3.31Å; W15-I19 WeakPolarHBondContact O-CB 3.33Å; W15-I19 WeakPolarHBondContact O-CD1 3.19Å; W15-I19 WeakPolarHBondContact O-CG1 3.2Å; W15-I19 PolarHBondContact O-N 3.31Å; S16-I19 PolarHBondContact O-N 3.42Å; I19-A21 PolarHBondContact O-N 3.02Å; I19-Y22 PolarHBondContact O-N 3.41Å; I19-L23 WeakPolarHBondContact O-CB 3.38Å; I19-L23 PolarHBondContact O-N 3.38Å
20V92Very high89.3Confident12 Ų1249.3 Ų49.37%0.07322%0.223CC..Hα-helixtrans-57.5-49.3178.9172.30000110.7S16 L18 Y22 L23 V24 F250 L253 I254S16-V20 WeakPolarHBondContact O-CG2 3.47Å; S16-V20 PolarHBondContact O-N 2.84Å; L18-V20 PolarHBondContact O-N 3.16Å; V20-Y22 PolarHBondContact O-N 2.87Å; V20-L23 PolarHBondContact O-N 2.99Å; V20-V24 WeakPolarHBondContact O-CG2 3.18Å; V20-V24 PolarHBondContact O-N 3.15Å; V20-V24 VanDerWaalsContact O-N 3.11Å; V20-F250 HydrophobicContact CB-CD1 4.28Å; V20-F250 HydrophobicContact CG1-CB 4.33Å; V20-F250 HydrophobicContact CG1-CD1 3.77Å; V20-F250 HydrophobicContact CG1-CG 4.4Å; V20-F250 HydrophobicContact CG2-CD1 4.31Å; V20-F250 HydrophobicContact CG2-CE1 4.26Å; V20-L253 HydrophobicContact CG1-CB 4.15Å; V20-I254 HydrophobicContact CG1-CG1 3.78Å
21A91.1Very high89.4Confident3 Ų342 Ų423%0.02520%0.195CC..Hα-helixtrans-64.5-41.3-176.200000113.7R17 L18 I19 T25 A169 V172 I254R17-A21 VanDerWaalsContact O-CB 3.32Å; R17-A21 WeakPolarHBondContact O-CB 3.21Å; R17-A21 PolarHBondContact O-N 3.23Å; L18-A21 PolarHBondContact O-N 3.08Å; I19-A21 PolarHBondContact O-N 3.02Å; A21-T25 PolarHBondContact O-OG1 3.16Å; A21-A169 HydrophobicContact CB-CB 4.19Å; A21-V172 HydrophobicContact CB-CB 4.26Å; A21-V172 HydrophobicContact CB-CG1 4.36Å; A21-V172 HydrophobicContact CB-CG2 4.25Å; A21-I254 HydrophobicContact CB-CD1 4.34Å
22Y92.4Very high89.4Confident103 Ų10340.6 Ų40.640%0.40419%0.188SC..Hα-helixtrans-78.8-27.5177.7-74.4-72.1000113L18 I19 V20 T25 F26 A169 T173L18-Y22 HydrophobicContact CB-CD2 4.42Å; L18-Y22 HydrophobicContact CD2-CE2 4.07Å; L18-Y22 WeakPolarHBondContact O-CD2 3.1Å; L18-Y22 PolarHBondContact O-N 2.86Å; I19-Y22 PolarHBondContact O-N 3.41Å; V20-Y22 PolarHBondContact O-N 2.87Å; Y22-T25 PolarHBondContact O-N 3.12Å; Y22-F26 PolarHBondContact O-N 3.02Å; Y22-F26 VanDerWaalsContact O-N 3.12Å; Y22-A169 HydrophobicContact CD1-CB 4.09Å; Y22-A169 HydrophobicContact CE1-CB 3.91Å; Y22-T173 WeakPolarHBondContact CE2-OG1 3.44Å; Y22-T173 PolarHBondContact OH-OG1 3.46Å
23L92.2Very high89.2Confident54 Ų5440.9 Ų40.928%0.28319%0.193SC..Hα-helixtrans-69.2-36.7176.4-163.493.6000111.4I19 V20 F26 F27 F250I19-L23 WeakPolarHBondContact O-CB 3.38Å; I19-L23 PolarHBondContact O-N 3.38Å; V20-L23 PolarHBondContact O-N 2.99Å; L23-F26 PolarHBondContact O-N 2.88Å; L23-F27 HydrophobicContact CD1-CE2 4.4Å; L23-F27 HydrophobicContact CD1-CZ 4.12Å; L23-F27 HydrophobicContact CD2-CD2 3.93Å; L23-F27 HydrophobicContact CD2-CE2 3.12Å; L23-F27 HydrophobicContact CD2-CZ 3.53Å; L23-F27 HydrophobicContact CG-CD2 3.96Å; L23-F27 HydrophobicContact CG-CE1 4.37Å; L23-F27 HydrophobicContact CG-CE2 3.5Å; L23-F27 VanDerWaalsContact CG-CE2 3.5Å; L23-F27 HydrophobicContact CG-CZ 3.71Å; L23-F27 WeakPolarHBondContact O-CD2 3.39Å; L23-F27 WeakPolarHBondContact O-CG 2.83Å; L23-F27 PolarHBondContact O-N 3.42Å; L23-F250 HydrophobicContact CB-CE1 4.47Å; L23-F250 HydrophobicContact CD2-CD1 3.82Å; L23-F250 HydrophobicContact CD2-CE1 3.18Å; L23-F250 HydrophobicContact CD2-CZ 3.63Å; L23-F250 HydrophobicContact CG-CE1 4.42Å
24V91.8Very high88.9Confident1 Ų139.7 Ų39.71%0.00619%0.188CC..Hα-helixtrans-55.4-52.5170.7168.70000110.4V20 F26 F27 N28 F250 D251 I254V20-V24 WeakPolarHBondContact O-CG2 3.18Å; V20-V24 PolarHBondContact O-N 3.15Å; V20-V24 VanDerWaalsContact O-N 3.11Å; V24-F26 PolarHBondContact O-N 2.99Å; V24-F27 PolarHBondContact O-N 2.81Å; V24-F27 VanDerWaalsContact O-N 3.09Å; V24-N28 WeakPolarHBondContact O-CB 3.33Å; V24-N28 PolarHBondContact O-N 3.31Å; V24-F250 HydrophobicContact CG2-CB 3.31Å; V24-F250 HydrophobicContact CG2-CD1 4.38Å; V24-F250 HydrophobicContact CG2-CG 4.29Å; V24-D251 WeakPolarHBondContact CG1-OD1 3.48Å; V24-I254 HydrophobicContact CB-CD1 4.43Å; V24-I254 HydrophobicContact CG2-CD1 3.95Å
25T90.3Very high88.8Confident14 Ų1439.7 Ų39.79%0.08619%0.188CC..Hα-helixtrans-56.1-42.1179.2-46.60000111.6A21 Y22 F29 W162 D165A21-T25 PolarHBondContact O-OG1 3.16Å; Y22-T25 PolarHBondContact O-N 3.12Å; T25-F29 HydrophobicContact CG2-CD2 4.33Å; T25-F29 HydrophobicContact CG2-CE2 4.04Å; T25-F29 WeakPolarHBondContact O-CD2 3.5Å; T25-F29 PolarHBondContact O-N 3.29Å; T25-W162 HydrophobicContact CG2-CE3 3.85Å; T25-W162 HydrophobicContact CG2-CZ3 3.69Å; T25-D165 HydrophobicContact CG2-CB 4.09Å
26F89.6Confident88.6Confident118 Ų11832.4 Ų32.452%0.51816%0.16SC..Hα-helixtrans-64.4-46.7176.9174.1-101.3000112.4Y22 L23 V24 N28 F29 L30Y22-F26 PolarHBondContact O-N 3.02Å; Y22-F26 VanDerWaalsContact O-N 3.12Å; L23-F26 PolarHBondContact O-N 2.88Å; V24-F26 PolarHBondContact O-N 2.99Å; F26-N28 VanDerWaalsContact C-N 3.33Å; F26-N28 PolarHBondContact O-N 2.95Å; F26-F29 PolarHBondContact O-N 3.35Å; F26-L30 HydrophobicContact CE1-CD2 4.45Å; F26-L30 PolarHBondContact O-N 2.94Å
27F90.6Very high88.4Confident42 Ų4230.7 Ų30.718%0.18415%0.148CC..Hα-helixtrans-66.8-33.4178.6-68.6-31000112.8L23 V24 F29 L30 I31 L243 I247L23-F27 HydrophobicContact CD1-CE2 4.4Å; L23-F27 HydrophobicContact CD1-CZ 4.12Å; L23-F27 HydrophobicContact CD2-CD2 3.93Å; L23-F27 HydrophobicContact CD2-CE2 3.12Å; L23-F27 HydrophobicContact CD2-CZ 3.53Å; L23-F27 HydrophobicContact CG-CD2 3.96Å; L23-F27 HydrophobicContact CG-CE1 4.37Å; L23-F27 HydrophobicContact CG-CE2 3.5Å; L23-F27 VanDerWaalsContact CG-CE2 3.5Å; L23-F27 HydrophobicContact CG-CZ 3.71Å; L23-F27 WeakPolarHBondContact O-CD2 3.39Å; L23-F27 WeakPolarHBondContact O-CG 2.83Å; L23-F27 PolarHBondContact O-N 3.42Å; V24-F27 PolarHBondContact O-N 2.81Å; V24-F27 VanDerWaalsContact O-N 3.09Å; F27-F29 VanDerWaalsContact C-N 3.33Å; F27-F29 PolarHBondContact O-N 3.26Å; F27-L30 HydrophobicContact CD1-CD2 4.4Å; F27-L30 PolarHBondContact O-N 3.37Å; F27-I31 WeakPolarHBondContact O-CG2 3.43Å; F27-I31 PolarHBondContact O-N 3.05Å; F27-L243 HydrophobicContact CB-CD1 4.11Å; F27-L243 HydrophobicContact CD1-CD1 3.94Å; F27-L243 HydrophobicContact CG-CD1 4.03Å; F27-I247 HydrophobicContact CB-CD1 3.98Å; F27-I247 HydrophobicContact CB-CG1 3.57Å
28N89.6Confident88Confident14 Ų1430.9 Ų30.98%0.07515%0.15CC..Hα-helixtrans-64-36.3173.4-90.7-30.5000112.4V24 F26 I31 F32 T161 D165 I247 D316V24-N28 WeakPolarHBondContact O-CB 3.33Å; V24-N28 PolarHBondContact O-N 3.31Å; F26-N28 VanDerWaalsContact C-N 3.33Å; F26-N28 PolarHBondContact O-N 2.95Å; N28-I31 VanDerWaalsContact O-CG2 3.29Å; N28-I31 WeakPolarHBondContact O-CG2 3.17Å; N28-F32 WeakPolarHBondContact O-CB 3.47Å; N28-F32 PolarHBondContact O-N 3.23Å; N28-T161 HydrophobicContact CB-CG2 4.23Å; N28-D165 WeakPolarHBondContact CB-OD2 3.33Å; N28-D165 PolarHBondContact ND2-OD2 3.25Å; N28-I247 WeakPolarHBondContact OD1-CG2 3.13Å; N28-D316 PolarHBondContact ND2-OD2 3.42Å; N28-D316 VanDerWaalsContact ND2-OD2 3.09Å; N28-D316 PolarHBondContact OD1-OD2 2.87Å
29F86.1Confident87.7Confident51 Ų5132 Ų3222%0.22416%0.155CC..Hα-helixtrans-70-39.9169.3-80.2-65.3000113.1T25 F26 F27 F32 A33 W162 V214 I218T25-F29 HydrophobicContact CG2-CD2 4.33Å; T25-F29 HydrophobicContact CG2-CE2 4.04Å; T25-F29 WeakPolarHBondContact O-CD2 3.5Å; T25-F29 PolarHBondContact O-N 3.29Å; F26-F29 PolarHBondContact O-N 3.35Å; F27-F29 VanDerWaalsContact C-N 3.33Å; F27-F29 PolarHBondContact O-N 3.26Å; F29-F32 PolarHBondContact O-N 3.47Å; F29-A33 WeakPolarHBondContact O-CB 3.21Å; F29-A33 PolarHBondContact O-N 3.5Å; F29-W162 HydrophobicContact CE2-CD2 4.29Å; F29-W162 AromaticContact CE2-CE3 3.31Å; F29-W162 HydrophobicContact CE2-CE3 3.31Å; F29-W162 AromaticContact CE2-CZ3 3.64Å; F29-W162 HydrophobicContact CE2-CZ3 3.64Å; F29-W162 HydrophobicContact CZ-CB 4.22Å; F29-W162 AromaticContact CZ-CD2 3.91Å; F29-W162 HydrophobicContact CZ-CD2 3.91Å; F29-W162 AromaticContact CZ-CE3 3.37Å; F29-W162 HydrophobicContact CZ-CE3 3.37Å; F29-W162 HydrophobicContact CZ-CG 4.27Å; F29-W162 HydrophobicContact CZ-CZ3 4Å; F29-V214 HydrophobicContact CE1-CG1 3.92Å; F29-V214 HydrophobicContact CE1-CG2 4.36Å; F29-V214 HydrophobicContact CZ-CB 4.47Å; F29-V214 HydrophobicContact CZ-CG1 3.84Å; F29-V214 HydrophobicContact CZ-CG2 3.73Å; F29-I218 HydrophobicContact CE1-CD1 4.44Å
30L85.6Confident87.4Confident49 Ų4927.1 Ų27.126%0.25713%0.129SC..Hα-helixtrans-63.1-45.7179.9-174.964.5000111.3F26 F27 F32 A33 E34 L243F26-L30 HydrophobicContact CE1-CD2 4.45Å; F26-L30 PolarHBondContact O-N 2.94Å; F27-L30 HydrophobicContact CD1-CD2 4.4Å; F27-L30 PolarHBondContact O-N 3.37Å; L30-F32 VanDerWaalsContact C-N 3.34Å; L30-F32 PolarHBondContact O-N 2.95Å; L30-A33 PolarHBondContact O-N 2.84Å; L30-E34 WeakPolarHBondContact O-CG 3.32Å; L30-E34 PolarHBondContact O-N 3.1Å; L30-E34 VanDerWaalsContact O-N 3.1Å; L30-L243 HydrophobicContact CB-CD2 4.36Å; L30-L243 HydrophobicContact CD2-CD1 4.32Å; L30-L243 HydrophobicContact CD2-CD2 3.96Å; L30-L243 HydrophobicContact CG-CD2 3.97Å
31I86.4Confident87.2Confident2 Ų228 Ų281%0.0113%0.132CC..Hα-helixtrans-65-39.6177.6-166.868.8000111F27 N28 A33 E34 D35 R240 L243 I247 M319 Q323F27-I31 WeakPolarHBondContact O-CG2 3.43Å; F27-I31 PolarHBondContact O-N 3.05Å; N28-I31 VanDerWaalsContact O-CG2 3.29Å; N28-I31 WeakPolarHBondContact O-CG2 3.17Å; I31-A33 VanDerWaalsContact C-N 3.33Å; I31-A33 PolarHBondContact O-N 3.26Å; I31-E34 PolarHBondContact O-N 3.05Å; I31-D35 WeakPolarHBondContact O-CB 3.25Å; I31-D35 PolarHBondContact O-N 2.88Å; I31-R240 HydrophobicContact CD1-CB 4.07Å; I31-R240 HydrophobicContact CD1-CG 4.38Å; I31-L243 HydrophobicContact CB-CD2 3.97Å; I31-L243 HydrophobicContact CB-CG 4.36Å; I31-L243 HydrophobicContact CD1-CB 4.24Å; I31-L243 HydrophobicContact CD1-CD2 3.82Å; I31-L243 HydrophobicContact CD1-CG 4.13Å; I31-L243 HydrophobicContact CG1-CD2 4.5Å; I31-I247 HydrophobicContact CB-CD1 4Å; I31-I247 HydrophobicContact CG2-CD1 3.68Å; I31-M319 HydrophobicContact CG1-CG 4.27Å; I31-M319 HydrophobicContact CG1-SD 4.45Å; I31-Q323 HydrophobicContact CD1-CG 4.38Å
32F83.8Confident87Confident20 Ų2028.8 Ų28.89%0.08814%0.137CC..Hα-helixtrans-62.4-40.9176177.8-103000112.2N28 F29 L30 E34 M154 K155 A158 I218N28-F32 WeakPolarHBondContact O-CB 3.47Å; N28-F32 PolarHBondContact O-N 3.23Å; F29-F32 PolarHBondContact O-N 3.47Å; L30-F32 VanDerWaalsContact C-N 3.34Å; L30-F32 PolarHBondContact O-N 2.95Å; F32-E34 VanDerWaalsContact C-N 3.29Å; F32-E34 PolarHBondContact O-N 3.16Å; F32-M154 HydrophobicContact CE2-CB 4.46Å; F32-K155 HydrophobicContact CZ-CG 4.44Å; F32-A158 HydrophobicContact CD1-CB 4.37Å; F32-A158 HydrophobicContact CD2-CB 3.5Å; F32-A158 HydrophobicContact CE1-CB 4.35Å; F32-A158 HydrophobicContact CE2-CB 3.47Å; F32-A158 VanDerWaalsContact CE2-CB 3.47Å; F32-A158 HydrophobicContact CG-CB 3.97Å; F32-A158 HydrophobicContact CZ-CB 3.92Å; F32-I218 HydrophobicContact CE1-CG1 4.22Å; F32-I218 HydrophobicContact CE1-CG2 4.39Å; F32-I218 HydrophobicContact CZ-CG2 4.13Å
33A80.2Confident86.8Confident18 Ų1828.3 Ų28.315%0.14914%0.139CC..Hα-helixtrans-66.9-29.3178.200000113.2F29 L30 I31 W225F29-A33 WeakPolarHBondContact O-CB 3.21Å; F29-A33 PolarHBondContact O-N 3.5Å; L30-A33 PolarHBondContact O-N 2.84Å; I31-A33 VanDerWaalsContact C-N 3.33Å; I31-A33 PolarHBondContact O-N 3.26Å; A33-W225 HydrophobicContact CB-CB 3.87Å; A33-W225 HydrophobicContact CB-CD2 3.82Å; A33-W225 HydrophobicContact CB-CE3 3.85Å; A33-W225 HydrophobicContact CB-CG 3.84Å
34E82.5Confident86.6Confident14 Ų1425.9 Ų25.97%0.06513%0.126CC..Hα-helixtrans-96.7-17.8-178.3-70.1-174.7-174.900114.1L30 I31 F32 P36 S235 S384L30-E34 WeakPolarHBondContact O-CG 3.32Å; L30-E34 PolarHBondContact O-N 3.1Å; L30-E34 VanDerWaalsContact O-N 3.1Å; I31-E34 PolarHBondContact O-N 3.05Å; F32-E34 VanDerWaalsContact C-N 3.29Å; F32-E34 PolarHBondContact O-N 3.16Å; E34-P36 VanDerWaalsContact O-CD 3.26Å; E34-P36 WeakPolarHBondContact O-CD 3.21Å; E34-S235 WeakPolarHBondContact OE2-CB 3.27Å; E34-S235 PolarHBondContact OE2-OG 3.47Å; E34-S384 PolarHBondContact O-OG 3.45Å
35D85.2Confident86.3Confident1 Ų129.3 Ų29.31%0.00514%0.142CC..  trans-70.5113.7-174.6-178.513.4000111.5I31 I37 S38 M154 Q323I31-D35 WeakPolarHBondContact O-CB 3.25Å; I31-D35 PolarHBondContact O-N 2.88Å; D35-I37 PolarHBondContact O-N 2.87Å; D35-I37 WeakPolarHBondContact OD1-CB 3.26Å; D35-I37 WeakPolarHBondContact OD1-CG1 3.43Å; D35-I37 PolarHBondContact OD1-N 2.9Å; D35-S38 WeakPolarHBondContact O-CB 3.41Å; D35-S38 PolarHBondContact O-N 3.16Å; D35-S38 PolarHBondContact O-OG 3.44Å; D35-M154 WeakPolarHBondContact OD2-CE 3.35Å; D35-Q323 PolarHBondContact OD1-NE2 2.83Å; D35-Q323 PolarHBondContact OD2-NE2 3.07Å
36P85.3Confident86.1Confident1 Ų129.2 Ų29.21%0.00614%0.141CC..G310 helixtrans-64.2-24.2177.628.1-36.3000112.9E34 S38 H39 Y326 Q333 I341 L382E34-P36 VanDerWaalsContact O-CD 3.26Å; E34-P36 WeakPolarHBondContact O-CD 3.21Å; P36-S38 PolarHBondContact O-N 3.39Å; P36-H39 PolarHBondContact O-N 3.3Å; P36-Y326 HydrophobicContact CB-CE2 4.4Å; P36-Y326 HydrophobicContact CG-CD1 4.47Å; P36-Y326 HydrophobicContact CG-CD2 4.41Å; P36-Y326 HydrophobicContact CG-CE1 3.82Å; P36-Y326 HydrophobicContact CG-CE2 3.76Å; P36-Y326 VanDerWaalsContact CG-CZ 3.43Å; P36-Q333 PolarHBondContact O-NE2 2.93Å; P36-I341 HydrophobicContact CB-CD1 3.85Å; P36-I341 HydrophobicContact CB-CG2 4.4Å; P36-I341 HydrophobicContact CG-CD1 3.88Å; P36-L382 HydrophobicContact CB-CD1 3.87Å
37I86.4Confident85.8Confident1 Ų127.4 Ų27.41%0.00514%0.136CC..G310 helixtrans-64.5-29.4-178.7-60.1170.3000111.2D35 H39 S40 T150 M154 N322 Y326 Y331D35-I37 PolarHBondContact O-N 2.87Å; D35-I37 WeakPolarHBondContact OD1-CB 3.26Å; D35-I37 WeakPolarHBondContact OD1-CG1 3.43Å; D35-I37 PolarHBondContact OD1-N 2.9Å; I37-H39 PolarHBondContact O-N 3.08Å; I37-S40 WeakPolarHBondContact O-CB 3.14Å; I37-S40 PolarHBondContact O-N 2.81Å; I37-T150 HydrophobicContact CG2-CG2 3.48Å; I37-T150 VanDerWaalsContact CG2-CG2 3.48Å; I37-M154 HydrophobicContact CG2-CG 4.2Å; I37-M154 HydrophobicContact CG2-SD 4.3Å; I37-N322 HydrophobicContact CD1-CB 3.7Å; I37-Y326 HydrophobicContact CD1-CD2 3.8Å; I37-Y326 HydrophobicContact CD1-CE2 4.44Å; I37-Y326 HydrophobicContact CG1-CD2 3.57Å; I37-Y326 HydrophobicContact CG1-CE2 3.7Å; I37-Y331 HydrophobicContact CB-CE1 4.46Å; I37-Y331 HydrophobicContact CD1-CE1 4.25Å; I37-Y331 HydrophobicContact CD1-CE2 3.98Å; I37-Y331 HydrophobicContact CG1-CD1 4.27Å; I37-Y331 HydrophobicContact CG1-CD2 4.15Å; I37-Y331 HydrophobicContact CG1-CE1 4.11Å; I37-Y331 HydrophobicContact CG1-CE2 4.01Å; I37-Y331 HydrophobicContact CG1-CG 4.28Å; I37-Y331 HydrophobicContact CG2-CD1 3.82Å; I37-Y331 HydrophobicContact CG2-CE1 3.59Å
38S83.6Confident85.6Confident6 Ų627.7 Ų27.74%0.04214%0.141CC..G310 helixtrans-58-20179.469.70000113.8D35 P36 E151D35-S38 WeakPolarHBondContact O-CB 3.41Å; D35-S38 PolarHBondContact O-N 3.16Å; D35-S38 PolarHBondContact O-OG 3.44Å; P36-S38 PolarHBondContact O-N 3.39Å; S38-E151 VanDerWaalsContact O-CA 3.24Å; S38-E151 WeakPolarHBondContact O-CA 3.48Å; S38-E151 WeakPolarHBondContact O-CB 3.49Å; S38-E151 WeakPolarHBondContact O-CG 3.35Å
39H84.3Confident85.5Confident46 Ų4630.6 Ų30.621%0.21316%0.159CC..G310 helixtrans-104.70.2-179.3-63.4-73.3000114.4P36 I37 Q41 T343 M380P36-H39 PolarHBondContact O-N 3.3Å; I37-H39 PolarHBondContact O-N 3.08Å; H39-Q41 PolarHBondContact O-N 3.38Å; H39-T343 WeakPolarHBondContact O-CG2 3.48Å; H39-M380 HydrophobicContact CB-CE 3.33Å; H39-M380 VanDerWaalsContact CG-CE 3.4Å
40S87.4Confident85.6Confident0 Ų028.2 Ų28.20%015%0.148CC..  trans-69.9129.2-174.41760000113.2I37 T42 E151 Y331I37-S40 WeakPolarHBondContact O-CB 3.14Å; I37-S40 PolarHBondContact O-N 2.81Å; S40-T42 VanDerWaalsContact C-N 3.35Å; S40-T42 PolarHBondContact OG-N 3.1Å; S40-T42 PolarHBondContact OG-OG1 3.48Å; S40-E151 WeakPolarHBondContact O-CB 3.44Å; S40-E151 PolarHBondContact O-N 3.25Å; S40-Y331 WeakPolarHBondContact CB-O 3.06Å; S40-Y331 PolarHBondContact OG-O 3.19Å
41Q87.2Confident85.9Confident29 Ų2926.1 Ų26.114%0.13614%0.137CC..  trans-86.2-4175.9-63.6-58-43.500113.4H39 E151 V344 L350H39-Q41 PolarHBondContact O-N 3.38Å; Q41-E151 PolarHBondContact NE2-OE2 3.25Å; Q41-V344 WeakPolarHBondContact CG-O 3.23Å; Q41-L350 HydrophobicContact CB-CD1 3.71Å
42T87.4Confident86.2Confident20 Ų2026.7 Ų26.712%0.12314%0.141CC..SBendtrans-69.6164.7176.264.80000111S40 T150 L350S40-T42 VanDerWaalsContact C-N 3.35Å; S40-T42 PolarHBondContact OG-N 3.1Å; S40-T42 PolarHBondContact OG-OG1 3.48Å; T42-T150 PolarHBondContact O-N 3.28Å; T42-T150 PolarHBondContact O-OG1 3.11Å; T42-L350 HydrophobicContact CG2-CD1 4.36Å
43Q87.9Confident86.5Confident94 Ų9428.8 Ų28.844%0.43915%0.151SC..EExtended strand (participates in β ladder)trans-71.1132.1178.9-168.8176.321.300110.9H45 Y145Q43-H45 PolarHBondContact O-N 2.96Å; Q43-Y145 HydrophobicContact CB-CD1 4.3Å; Q43-Y145 HydrophobicContact CG-CD1 4.21Å
44A87.1Confident87Confident2 Ų227.9 Ų27.92%0.01714%0.144CC..EExtended strand (participates in β ladder)trans-62.3126.7179.800000111.1M146 I148 T150 F153A44-M146 HydrophobicContact CB-CB 4.36Å; A44-M146 HydrophobicContact CB-SD 4.29Å; A44-M146 PolarHBondContact O-N 2.69Å; A44-I148 HydrophobicContact CB-CG1 4.07Å; A44-I148 PolarHBondContact N-O 3.44Å; A44-T150 WeakPolarHBondContact CA-OG1 3.34Å; A44-T150 PolarHBondContact N-OG1 2.97Å; A44-F153 HydrophobicContact CB-CB 3.81Å; A44-F153 HydrophobicContact CB-CG 4.19Å
45H86.5Confident87.4Confident73 Ų7327.2 Ų27.234%0.33814%0.14SC..EExtended strand (participates in β ladder)trans-122.2117.4178.6171.8-90.2000109.4Q43 E144 Y145Q43-H45 PolarHBondContact O-N 2.96Å; H45-E144 VanDerWaalsContact CD2-CB 3.48Å; H45-E144 WeakPolarHBondContact CD2-CB 3.48Å; H45-E144 IonicContact CD2-OE2 2.76Å; H45-E144 IonicContact CE1-OE2 2.75Å; H45-E144 PolarHBondContact CE1-OE2 3.44Å; H45-E144 WeakPolarHBondContact NE2-CB 3.3Å; H45-E144 IonicContact NE2-OE2 3.22Å; H45-E144 PolarHBondContact NE2-OE2 2.94Å; H45-Y145 HydrophobicContact CB-CD1 4.15Å; H45-Y145 HydrophobicContact CB-CE1 4.04Å
46I84.5Confident87.7Confident12 Ų1229.1 Ų29.16%0.06215%0.15CC..  trans-140.1122.6173.8-52.7174.9000108.4V49 G50 E144 M146 F153I46-V49 HydrophobicContact CB-CB 4.41Å; I46-V49 HydrophobicContact CG2-CB 4Å; I46-V49 HydrophobicContact CG2-CG2 4.21Å; I46-G50 VanDerWaalsContact O-CA 3.26Å; I46-G50 WeakPolarHBondContact O-CA 3.32Å; I46-G50 PolarHBondContact O-N 3.02Å; I46-E144 PolarHBondContact N-O 3.2Å; I46-M146 HydrophobicContact CB-CE 3.76Å; I46-M146 HydrophobicContact CD1-CE 3.63Å; I46-M146 HydrophobicContact CD1-SD 4.27Å; I46-M146 HydrophobicContact CG1-CE 3.92Å; I46-F153 HydrophobicContact CD1-CD1 3.86Å; I46-F153 HydrophobicContact CD1-CD2 4.26Å; I46-F153 HydrophobicContact CD1-CE1 3.14Å; I46-F153 HydrophobicContact CD1-CE2 3.59Å; I46-F153 HydrophobicContact CD1-CG 4.39Å; I46-F153 HydrophobicContact CD1-CZ 2.98Å; I46-F153 HydrophobicContact CG1-CE1 4.39Å; I46-F153 HydrophobicContact CG1-CZ 4.45Å
47I84.9Confident87.9Confident81 Ų8135.2 Ų35.242%0.41518%0.177SC..THydrogen-bonded Turntrans-60.1141.2178.3-50.9174.4000108.9V49I47-V49 PolarHBondContact O-N 3.45Å
48V86.8Confident87.9Confident48 Ų4837.2 Ų37.229%0.29119%0.188SC..THydrogen-bonded Turntrans67.6-63.6-175.1-173.50000113.9G50 N51 C52 I117 F121V48-G50 VanDerWaalsContact C-N 3.28Å; V48-G50 PolarHBondContact O-N 2.9Å; V48-N51 WeakPolarHBondContact O-CB 3.47Å; V48-N51 PolarHBondContact O-N 3.44Å; V48-N51 VanDerWaalsContact O-N 3.14Å; V48-C52 PolarHBondContact O-N 2.9Å; V48-C52 PolarHBondContact O-SG 3.49Å; V48-C52 VanDerWaalsContact O-SG 3.4Å; V48-I117 HydrophobicContact CG1-CG2 4.25Å; V48-F121 HydrophobicContact CB-CD2 4.05Å; V48-F121 HydrophobicContact CB-CE2 4.25Å; V48-F121 HydrophobicContact CG1-CB 4Å; V48-F121 HydrophobicContact CG1-CD2 3.85Å; V48-F121 HydrophobicContact CG1-CG 3.99Å; V48-F121 HydrophobicContact CG2-CD2 4.1Å; V48-F121 HydrophobicContact CG2-CE2 3.94Å; V48-F121 HydrophobicContact CG2-CG 4.5Å; V48-F121 HydrophobicContact CG2-CZ 4.25Å
49V87.4Confident87.8Confident75 Ų7540 Ų4046%0.45520%0.199SC..Hα-helixtrans-62.7-38.7-175.4-175.10000110.7I46 I47 N51 C52 F53 M146I46-V49 HydrophobicContact CB-CB 4.41Å; I46-V49 HydrophobicContact CG2-CB 4Å; I46-V49 HydrophobicContact CG2-CG2 4.21Å; I47-V49 PolarHBondContact O-N 3.45Å; V49-N51 PolarHBondContact O-N 3.19Å; V49-C52 PolarHBondContact O-N 3.33Å; V49-F53 WeakPolarHBondContact O-CB 3.29Å; V49-F53 PolarHBondContact O-N 2.82Å; V49-M146 HydrophobicContact CB-CE 3.95Å; V49-M146 HydrophobicContact CG1-CE 3.65Å
50G88.2Confident87.8Confident0 Ų041.4 Ų41.40%020%0.203CC..Hα-helixtrans-61.7-41.9175.400000113I46 V48 F53 S54 T143 E144I46-G50 VanDerWaalsContact O-CA 3.26Å; I46-G50 WeakPolarHBondContact O-CA 3.32Å; I46-G50 PolarHBondContact O-N 3.02Å; V48-G50 VanDerWaalsContact C-N 3.28Å; V48-G50 PolarHBondContact O-N 2.9Å; G50-F53 PolarHBondContact O-N 3.25Å; G50-S54 WeakPolarHBondContact O-CB 3.42Å; G50-S54 PolarHBondContact O-N 3.37Å; G50-T143 CarbonylContact C-O 3.59Å; G50-E144 WeakPolarHBondContact CA-O 3.37Å
51N91.2Very high87.4Confident5 Ų542.8 Ų42.83%0.02721%0.212CC..Hα-helixtrans-64.4-46.8174.6-69.438.3000111V48 V49 F53 S54 F55 F121 H125 V142 E144V48-N51 WeakPolarHBondContact O-CB 3.47Å; V48-N51 PolarHBondContact O-N 3.44Å; V48-N51 VanDerWaalsContact O-N 3.14Å; V49-N51 PolarHBondContact O-N 3.19Å; N51-F53 PolarHBondContact O-N 2.87Å; N51-S54 PolarHBondContact O-N 3.29Å; N51-F55 WeakPolarHBondContact O-CB 3.35Å; N51-F55 PolarHBondContact O-N 2.88Å; N51-F121 HydrophobicContact CB-CD2 3.97Å; N51-F121 HydrophobicContact CB-CE2 4.28Å; N51-H125 PolarHBondContact ND2-CE1 3.33Å; N51-H125 VanDerWaalsContact ND2-CE1 3.32Å; N51-V142 HydrophobicContact CB-CG1 4.27Å; N51-V142 VanDerWaalsContact O-CG1 3.23Å; N51-V142 WeakPolarHBondContact O-CG1 3.46Å; N51-E144 WeakPolarHBondContact OD1-CA 3.48Å; N51-E144 WeakPolarHBondContact OD1-CG 3.31Å; N51-E144 PolarHBondContact OD1-N 3.47Å; N51-E144 VanDerWaalsContact OD1-N 3.12Å
52C92.1Very high87.1Confident14 Ų1442.5 Ų42.510%0.09522%0.216CC..Hα-helixtrans-59.1-48.1177.4-66.60000110.8V48 V49 F55 L56 L120V48-C52 PolarHBondContact O-N 2.9Å; V48-C52 PolarHBondContact O-SG 3.49Å; V48-C52 VanDerWaalsContact O-SG 3.4Å; V49-C52 PolarHBondContact O-N 3.33Å; C52-F55 PolarHBondContact O-N 2.7Å; C52-L56 WeakPolarHBondContact O-CD1 3.46Å; C52-L56 PolarHBondContact O-N 2.89Å; C52-L120 HydrophobicContact CB-CB 4.44Å
53F91.2Very high86.9Confident64 Ų6449 Ų4928%0.28125%0.25SC..Hα-helixtrans-61.3-48.3178.6-172.8-87.5000111.9V49 G50 N51 F55 L56 F57 M146V49-F53 WeakPolarHBondContact O-CB 3.29Å; V49-F53 PolarHBondContact O-N 2.82Å; G50-F53 PolarHBondContact O-N 3.25Å; N51-F53 PolarHBondContact O-N 2.87Å; F53-F55 VanDerWaalsContact C-N 3.26Å; F53-F55 PolarHBondContact O-N 2.87Å; F53-L56 PolarHBondContact O-N 3.43Å; F53-F57 AromaticContact CD2-CD2 3.66Å; F53-F57 HydrophobicContact CD2-CD2 3.66Å; F53-F57 HydrophobicContact CD2-CE2 4.15Å; F53-F57 HydrophobicContact CE1-CB 4.18Å; F53-F57 AromaticContact CE2-CD2 3.69Å; F53-F57 HydrophobicContact CE2-CD2 3.69Å; F53-F57 HydrophobicContact CE2-CE2 4.25Å; F53-F57 HydrophobicContact CE2-CG 4.37Å; F53-F57 HydrophobicContact CG-CD2 4.08Å; F53-F57 HydrophobicContact CZ-CB 4.21Å; F53-F57 HydrophobicContact CZ-CD2 4.15Å; F53-F57 HydrophobicContact CZ-CG 4.43Å; F53-F57 PolarHBondContact O-N 2.96Å; F53-M146 HydrophobicContact CB-CG 4.38Å; F53-M146 HydrophobicContact CD1-CB 4.08Å; F53-M146 HydrophobicContact CD1-CG 4.34Å; F53-M146 WeakPolarHBondContact CD1-O 3.4Å; F53-M146 VanDerWaalsContact CE1-O 3.3Å; F53-M146 WeakPolarHBondContact CE1-O 3.49Å; F53-M146 HydrophobicContact CG-CG 4.49Å
54S89.8Confident86.8Confident0 Ų046.9 Ų46.90%025%0.253CS..Hα-helixtrans-67-29.1179.6-170.20000112.4G50 N51 N58 K69 T143G50-S54 WeakPolarHBondContact O-CB 3.42Å; G50-S54 PolarHBondContact O-N 3.37Å; N51-S54 PolarHBondContact O-N 3.29Å; S54-N58 CarbonylContact O-C 3.6Å; S54-N58 PolarHBondContact O-N 3.04Å; S54-N58 VanDerWaalsContact O-O 3.05Å; S54-K69 PolarHBondContact O-NZ 2.94Å; S54-T143 WeakPolarHBondContact CB-O 3.26Å
55F91.8Very high86.8Confident0 Ų049.9 Ų49.90%026%0.264CS..Hα-helixtrans-73.2-34.3173.2-172.3-137.3000112.9N51 C52 F53 K69 C72 W73 L120 F123 Y127 V142N51-F55 WeakPolarHBondContact O-CB 3.35Å; N51-F55 PolarHBondContact O-N 2.88Å; C52-F55 PolarHBondContact O-N 2.7Å; F53-F55 VanDerWaalsContact C-N 3.26Å; F53-F55 PolarHBondContact O-N 2.87Å; F55-K69 HydrophobicContact CD2-CG 4.24Å; F55-K69 HydrophobicContact CE2-CG 4.1Å; F55-K69 WeakPolarHBondContact O-CE 3.15Å; F55-C72 HydrophobicContact CE2-CB 4.28Å; F55-C72 HydrophobicContact CZ-CB 3.74Å; F55-W73 HydrophobicContact CD1-CB 3.8Å; F55-W73 HydrophobicContact CE1-CB 3.38Å; F55-W73 HydrophobicContact CZ-CB 3.78Å; F55-L120 HydrophobicContact CD1-CD2 4.08Å; F55-L120 HydrophobicContact CE1-CD2 4.22Å; F55-F123 HydrophobicContact CE1-CB 4.01Å; F55-F123 HydrophobicContact CZ-CB 4.25Å; F55-Y127 HydrophobicContact CD2-CD1 4.25Å; F55-Y127 HydrophobicContact CD2-CG 4.46Å; F55-Y127 HydrophobicContact CE2-CD1 4.02Å; F55-Y127 HydrophobicContact CE2-CD2 4.39Å; F55-Y127 AromaticContact CE2-CG 3.77Å; F55-Y127 HydrophobicContact CE2-CG 3.77Å; F55-V142 HydrophobicContact CB-CG1 3.99Å; F55-V142 HydrophobicContact CB-CG2 4.23Å; F55-V142 HydrophobicContact CD2-CG2 3.96Å
56L91.2Very high87Confident40 Ų4048.9 Ų48.921%0.20926%0.261CS..Hα-helixtrans-85-42.6178.6-88.478.1000113C52 F53 Y60 L120C52-L56 WeakPolarHBondContact O-CD1 3.46Å; C52-L56 PolarHBondContact O-N 2.89Å; F53-L56 PolarHBondContact O-N 3.43Å; L56-Y60 WeakPolarHBondContact O-CE2 3.13Å; L56-Y60 PolarHBondContact O-OH 2.75Å; L56-L120 HydrophobicContact CD1-CD1 3.97Å; L56-L120 HydrophobicContact CD1-CD2 3.63Å; L56-L120 HydrophobicContact CD1-CG 4.37Å
57F88.8Confident87.3Confident129 Ų12953.7 Ų53.757%0.56629%0.286SS*.THydrogen-bonded Turntrans-117.5-23.8-161-59.9-68.2000115.1F53F53-F57 AromaticContact CD2-CD2 3.66Å; F53-F57 HydrophobicContact CD2-CD2 3.66Å; F53-F57 HydrophobicContact CD2-CE2 4.15Å; F53-F57 HydrophobicContact CE1-CB 4.18Å; F53-F57 AromaticContact CE2-CD2 3.69Å; F53-F57 HydrophobicContact CE2-CD2 3.69Å; F53-F57 HydrophobicContact CE2-CE2 4.25Å; F53-F57 HydrophobicContact CE2-CG 4.37Å; F53-F57 HydrophobicContact CG-CD2 4.08Å; F53-F57 HydrophobicContact CZ-CB 4.21Å; F53-F57 HydrophobicContact CZ-CD2 4.15Å; F53-F57 HydrophobicContact CZ-CG 4.43Å; F53-F57 PolarHBondContact O-N 2.96Å
58N85.9Confident87.5Confident44 Ų4452.7 Ų52.724%0.23528%0.281CS..SBendtrans-116.2179.4-174.6-68.8-23.6000113.2S54 Y60 K69 M146S54-N58 CarbonylContact O-C 3.6Å; S54-N58 PolarHBondContact O-N 3.04Å; S54-N58 VanDerWaalsContact O-O 3.05Å; N58-Y60 VanDerWaalsContact O-CD2 3.29Å; N58-Y60 WeakPolarHBondContact O-CD2 3.47Å; N58-Y60 PolarHBondContact O-N 3.2Å; N58-K69 PolarHBondContact O-NZ 3.43Å; N58-M146 PolarHBondContact ND2-O 2.85Å
59K82Confident87.8Confident63 Ų6350.4 Ų50.427%0.27427%0.267SS..  trans50.556.2167.7-54.1-167.7-176.6-165.30112.7P61 K69 M141 T143K59-P61 VanDerWaalsContact O-CD 3.22Å; K59-P61 WeakPolarHBondContact O-CD 3.37Å; K59-K69 PolarHBondContact O-NZ 3.2Å; K59-M141 WeakPolarHBondContact CD-O 3.42Å; K59-M141 WeakPolarHBondContact CE-O 3.43Å; K59-M141 PolarHBondContact NZ-O 2.76Å; K59-T143 VanDerWaalsContact NZ-CG2 3.35Å; K59-T143 PolarHBondContact NZ-OG1 2.98Å
60Y85.2Confident88.1Confident76 Ų7649 Ų4930%0.29826%0.259SS..  trans-94.7102.2173.7-80.8-85.3000108.7L56 N58 G62 N66 K69 V70 W73L56-Y60 WeakPolarHBondContact O-CE2 3.13Å; L56-Y60 PolarHBondContact O-OH 2.75Å; N58-Y60 VanDerWaalsContact O-CD2 3.29Å; N58-Y60 WeakPolarHBondContact O-CD2 3.47Å; N58-Y60 PolarHBondContact O-N 3.2Å; Y60-G62 PolarHBondContact O-N 2.66Å; Y60-G62 VanDerWaalsContact O-N 3.13Å; Y60-N66 WeakPolarHBondContact CB-OD1 3.25Å; Y60-N66 HydrophobicContact CD1-CB 4.13Å; Y60-K69 HydrophobicContact CD1-CD 4.06Å; Y60-K69 HydrophobicContact CE1-CB 4.34Å; Y60-K69 HydrophobicContact CE1-CD 3.84Å; Y60-K69 HydrophobicContact CE1-CG 4.15Å; Y60-V70 HydrophobicContact CE1-CG2 4.26Å; Y60-W73 PolarHBondContact OH-NE1 3.4Å
61P78.7Confident88.3Confident30 Ų3055 Ų5520%0.19529%0.288CS..  trans-67.5-6.2-175.324.8-34.3000115K59 W65 M137 H140K59-P61 VanDerWaalsContact O-CD 3.22Å; K59-P61 WeakPolarHBondContact O-CD 3.37Å; P61-W65 HydrophobicContact CB-CB 4.43Å; P61-W65 HydrophobicContact CG-CB 3.5Å; P61-W65 VanDerWaalsContact CG-CB 3.5Å; P61-W65 HydrophobicContact CG-CG 4.19Å; P61-M137 HydrophobicContact CB-SD 4.24Å; P61-H140 VanDerWaalsContact CA-CD2 3.47Å; P61-H140 WeakPolarHBondContact CA-CD2 3.47Å; P61-H140 HydrophobicContact CB-CB 4.02Å; P61-H140 HydrophobicContact CG-CB 4.33Å
62G80.9Confident88.4Confident22 Ų2255.6 Ų55.623%0.22729%0.292CS..  trans87.4171.4-176.400000113.2Y60 N66Y60-G62 PolarHBondContact O-N 2.66Å; Y60-G62 VanDerWaalsContact O-N 3.13Å; G62-N66 WeakPolarHBondContact CA-ND2 3.28Å; G62-N66 WeakPolarHBondContact CA-OD1 3.3Å; G62-N66 PolarHBondContact N-OD1 3.2Å
63L82.1Confident88.6Confident157 Ų15757.7 Ų57.782%0.82230%0.298SS*.THydrogen-bonded Turntrans59.3-152.3176.3-62160.7000113.6W65 N66L63-W65 PolarHBondContact O-N 2.62Å; L63-W65 VanDerWaalsContact O-N 3.12Å; L63-N66 PolarHBondContact O-N 3.46Å; L63-N66 VanDerWaalsContact O-N 3.12Å
64G85.8Confident88.7Confident49 Ų4958.1 Ų58.151%0.50530%0.303SS..Hα-helixtrans-59.7-19.3-178.700000114.6N66 I67 L68G64-N66 VanDerWaalsContact C-N 3.33Å; G64-N66 PolarHBondContact O-N 2.99Å; G64-I67 WeakPolarHBondContact O-CB 3.39Å; G64-I67 PolarHBondContact O-N 3.07Å; G64-L68 PolarHBondContact O-N 3.05Å
65W87.5Confident89Confident66 Ų6662.2 Ų62.225%0.2532%0.324CS..Hα-helixtrans-67.3-31.8175.2-67.3106.7000113.1P61 L63 I67 L68 K69 I130 L131 A134P61-W65 HydrophobicContact CB-CB 4.43Å; P61-W65 HydrophobicContact CG-CB 3.5Å; P61-W65 VanDerWaalsContact CG-CB 3.5Å; P61-W65 HydrophobicContact CG-CG 4.19Å; L63-W65 PolarHBondContact O-N 2.62Å; L63-W65 VanDerWaalsContact O-N 3.12Å; W65-I67 VanDerWaalsContact C-N 3.33Å; W65-L68 HydrophobicContact CE3-CD2 3.68Å; W65-L68 HydrophobicContact CZ3-CD2 3.59Å; W65-L68 PolarHBondContact O-N 3.06Å; W65-K69 WeakPolarHBondContact O-CB 3.24Å; W65-K69 PolarHBondContact O-N 3.16Å; W65-I130 HydrophobicContact CZ3-CG2 4.1Å; W65-L131 HydrophobicContact CD2-CD2 4.23Å; W65-L131 HydrophobicContact CE3-CD2 3.53Å; W65-L131 HydrophobicContact CH2-CD2 4.27Å; W65-L131 HydrophobicContact CZ3-CD2 3.57Å; W65-A134 HydrophobicContact CH2-CB 3.64Å; W65-A134 HydrophobicContact CZ2-CB 3.78Å
66N90.3Very high89.1Confident51 Ų5162.2 Ų62.227%0.27332%0.324SS..Hα-helixtrans-64.4-42.1173-71-1000110.6Y60 G62 L63 G64 K69 V70Y60-N66 WeakPolarHBondContact CB-OD1 3.25Å; Y60-N66 HydrophobicContact CD1-CB 4.13Å; G62-N66 WeakPolarHBondContact CA-ND2 3.28Å; G62-N66 WeakPolarHBondContact CA-OD1 3.3Å; G62-N66 PolarHBondContact N-OD1 3.2Å; L63-N66 PolarHBondContact O-N 3.46Å; L63-N66 VanDerWaalsContact O-N 3.12Å; G64-N66 VanDerWaalsContact C-N 3.33Å; G64-N66 PolarHBondContact O-N 2.99Å; N66-K69 PolarHBondContact O-N 3.32Å; N66-V70 WeakPolarHBondContact O-CB 3.44Å; N66-V70 VanDerWaalsContact O-CG2 3.23Å; N66-V70 WeakPolarHBondContact O-CG2 3.34Å; N66-V70 PolarHBondContact O-N 3.22Å
67I90.7Very high89.3Confident114 Ų11462.7 Ų62.759%0.58533%0.326SS*.Hα-helixtrans-63.3-46.1176.6-59.4174.6000109.7G64 W65 K69 V70 M71G64-I67 WeakPolarHBondContact O-CB 3.39Å; G64-I67 PolarHBondContact O-N 3.07Å; W65-I67 VanDerWaalsContact C-N 3.33Å; I67-K69 PolarHBondContact O-N 3.01Å; I67-V70 PolarHBondContact O-N 3.2Å; I67-M71 HydrophobicContact CG2-CG 4.45Å; I67-M71 WeakPolarHBondContact O-CB 3.25Å; I67-M71 WeakPolarHBondContact O-CG 3.22Å; I67-M71 PolarHBondContact O-N 3.21Å
68L90.9Very high89.5Confident59 Ų5960.8 Ų60.831%0.30932%0.321SS..Hα-helixtrans-59.1-49177.5-178.764.3000111.5G64 W65 V70 M71 C72 Y127 I130G64-L68 PolarHBondContact O-N 3.05Å; W65-L68 HydrophobicContact CE3-CD2 3.68Å; W65-L68 HydrophobicContact CZ3-CD2 3.59Å; W65-L68 PolarHBondContact O-N 3.06Å; L68-V70 VanDerWaalsContact C-N 3.32Å; L68-V70 PolarHBondContact O-N 3.28Å; L68-M71 PolarHBondContact O-N 3.21Å; L68-C72 WeakPolarHBondContact O-CB 3.28Å; L68-C72 PolarHBondContact O-N 3.28Å; L68-C72 PolarHBondContact O-SG 2.75Å; L68-Y127 HydrophobicContact CD2-CE2 4.38Å; L68-Y127 HydrophobicContact CG-CE2 4.39Å; L68-I130 HydrophobicContact CD2-CG2 4.05Å
69K92.4Very high89.8Confident0 Ų060.5 Ų60.50%032%0.321CS..Hα-helixtrans-58.4-45.6178.3-172.6167.7176.5168.80111.3S54 F55 N58 K59 Y60 W65 N66 I67 C72 W73 Y127S54-K69 PolarHBondContact O-NZ 2.94Å; F55-K69 HydrophobicContact CD2-CG 4.24Å; F55-K69 HydrophobicContact CE2-CG 4.1Å; F55-K69 WeakPolarHBondContact O-CE 3.15Å; N58-K69 PolarHBondContact O-NZ 3.43Å; K59-K69 PolarHBondContact O-NZ 3.2Å; Y60-K69 HydrophobicContact CD1-CD 4.06Å; Y60-K69 HydrophobicContact CE1-CB 4.34Å; Y60-K69 HydrophobicContact CE1-CD 3.84Å; Y60-K69 HydrophobicContact CE1-CG 4.15Å; W65-K69 WeakPolarHBondContact O-CB 3.24Å; W65-K69 PolarHBondContact O-N 3.16Å; N66-K69 PolarHBondContact O-N 3.32Å; I67-K69 PolarHBondContact O-N 3.01Å; K69-C72 PolarHBondContact O-N 2.9Å; K69-W73 PolarHBondContact O-N 2.87Å; K69-Y127 HydrophobicContact CB-CE2 3.76Å; K69-Y127 HydrophobicContact CD-CE1 3.95Å; K69-Y127 HydrophobicContact CG-CE1 4.2Å; K69-Y127 HydrophobicContact CG-CE2 4.2Å
70V93.4Very high90.4Very high47 Ų4757.5 Ų57.529%0.28531%0.308SS..Hα-helixtrans-59.7-47.1175.4170.70000112.1Y60 N66 I67 L68 C72 W73 I74Y60-V70 HydrophobicContact CE1-CG2 4.26Å; N66-V70 WeakPolarHBondContact O-CB 3.44Å; N66-V70 VanDerWaalsContact O-CG2 3.23Å; N66-V70 WeakPolarHBondContact O-CG2 3.34Å; N66-V70 PolarHBondContact O-N 3.22Å; I67-V70 PolarHBondContact O-N 3.2Å; L68-V70 VanDerWaalsContact C-N 3.32Å; L68-V70 PolarHBondContact O-N 3.28Å; V70-C72 VanDerWaalsContact C-N 3.32Å; V70-C72 PolarHBondContact O-N 3.49Å; V70-W73 VanDerWaalsContact CA-NE1 3.34Å; V70-W73 HydrophobicContact CB-CZ2 4.17Å; V70-W73 HydrophobicContact CG1-CH2 4.35Å; V70-W73 HydrophobicContact CG1-CZ2 3.71Å; V70-W73 HydrophobicContact CG2-CZ2 3.96Å; V70-W73 PolarHBondContact O-N 2.98Å; V70-I74 HydrophobicContact CG1-CD1 3.66Å; V70-I74 HydrophobicContact CG1-CG1 4.38Å; V70-I74 WeakPolarHBondContact O-CB 3.5Å; V70-I74 VanDerWaalsContact O-CG1 3.24Å; V70-I74 WeakPolarHBondContact O-CG1 3.33Å; V70-I74 PolarHBondContact O-N 2.92Å
71M93.3Very high90.6Very high126 Ų12656.7 Ų56.762%0.62131%0.308SS*.Hα-helixtrans-61-41.2175.4-73.6-154.571.100112.2I67 L68 L75I67-M71 HydrophobicContact CG2-CG 4.45Å; I67-M71 WeakPolarHBondContact O-CB 3.25Å; I67-M71 WeakPolarHBondContact O-CG 3.22Å; I67-M71 PolarHBondContact O-N 3.21Å; L68-M71 PolarHBondContact O-N 3.21Å; M71-L75 VanDerWaalsContact O-CB 3.25Å; M71-L75 WeakPolarHBondContact O-CB 3.29Å; M71-L75 PolarHBondContact O-N 3.06Å
72C93.5Very high91.1Very high16 Ų1657.8 Ų57.811%0.10831%0.312CS..Hα-helixtrans-64.7-46.3179.7-70.10000112.2F55 L68 K69 V70 L75 A76 F123F55-C72 HydrophobicContact CE2-CB 4.28Å; F55-C72 HydrophobicContact CZ-CB 3.74Å; L68-C72 WeakPolarHBondContact O-CB 3.28Å; L68-C72 PolarHBondContact O-N 3.28Å; L68-C72 PolarHBondContact O-SG 2.75Å; K69-C72 PolarHBondContact O-N 2.9Å; V70-C72 VanDerWaalsContact C-N 3.32Å; V70-C72 PolarHBondContact O-N 3.49Å; C72-L75 PolarHBondContact O-N 3.17Å; C72-A76 WeakPolarHBondContact O-CB 3.18Å; C72-A76 PolarHBondContact O-N 3.32Å; C72-F123 WeakPolarHBondContact O-CD1 3.47Å
73W94.9Very high91.6Very high59 Ų5957.1 Ų57.122%0.22331%0.305CS..Hα-helixtrans-73.8-31.1179.465.2-116.6000112.8F55 Y60 K69 V70 A76 I77 L120F55-W73 HydrophobicContact CD1-CB 3.8Å; F55-W73 HydrophobicContact CE1-CB 3.38Å; F55-W73 HydrophobicContact CZ-CB 3.78Å; Y60-W73 PolarHBondContact OH-NE1 3.4Å; K69-W73 PolarHBondContact O-N 2.87Å; V70-W73 VanDerWaalsContact CA-NE1 3.34Å; V70-W73 HydrophobicContact CB-CZ2 4.17Å; V70-W73 HydrophobicContact CG1-CH2 4.35Å; V70-W73 HydrophobicContact CG1-CZ2 3.71Å; V70-W73 HydrophobicContact CG2-CZ2 3.96Å; V70-W73 PolarHBondContact O-N 2.98Å; W73-A76 WeakPolarHBondContact O-CB 3.4Å; W73-A76 PolarHBondContact O-N 3.28Å; W73-I77 HydrophobicContact CE3-CD1 3.79Å; W73-I77 HydrophobicContact CZ3-CD1 4.09Å; W73-I77 WeakPolarHBondContact O-CG1 3.22Å; W73-I77 PolarHBondContact O-N 2.93Å; W73-L120 HydrophobicContact CB-CD2 4.08Å
74I94.6Very high91.9Very high72 Ų7249.6 Ų49.637%0.36927%0.266SS..Hα-helixtrans-63-45.7170.8-70.2172.3000110.2V70 A76 I77 I78V70-I74 HydrophobicContact CG1-CD1 3.66Å; V70-I74 HydrophobicContact CG1-CG1 4.38Å; V70-I74 WeakPolarHBondContact O-CB 3.5Å; V70-I74 VanDerWaalsContact O-CG1 3.24Å; V70-I74 WeakPolarHBondContact O-CG1 3.33Å; V70-I74 PolarHBondContact O-N 2.92Å; I74-A76 VanDerWaalsContact C-N 3.3Å; I74-A76 PolarHBondContact O-N 3.11Å; I74-I77 PolarHBondContact O-N 3.18Å; I74-I78 HydrophobicContact CG2-CD1 3.81Å; I74-I78 HydrophobicContact CG2-CG1 4.47Å; I74-I78 WeakPolarHBondContact O-CG1 3.35Å; I74-I78 PolarHBondContact O-N 3.31Å
75L94.6Very high91.9Very high87 Ų8748.6 Ų48.646%0.45525%0.247SC..Hα-helixtrans-62.9-39.3177.6-176.460.3000111.4M71 C72 I78 T79 F123M71-L75 VanDerWaalsContact O-CB 3.25Å; M71-L75 WeakPolarHBondContact O-CB 3.29Å; M71-L75 PolarHBondContact O-N 3.06Å; C72-L75 PolarHBondContact O-N 3.17Å; L75-I78 PolarHBondContact O-N 3.1Å; L75-T79 HydrophobicContact CD1-CG2 4.07Å; L75-T79 HydrophobicContact CG-CG2 4.32Å; L75-T79 WeakPolarHBondContact O-CB 3.32Å; L75-T79 VanDerWaalsContact O-CG2 3.27Å; L75-T79 WeakPolarHBondContact O-CG2 3.49Å; L75-T79 PolarHBondContact O-N 3.2Å; L75-T79 PolarHBondContact O-OG1 3.35Å; L75-F123 HydrophobicContact CB-CE1 4.23Å; L75-F123 HydrophobicContact CD2-CE1 3.76Å; L75-F123 HydrophobicContact CD2-CZ 4.12Å; L75-F123 HydrophobicContact CG-CE1 3.89Å; L75-F123 HydrophobicContact CG-CZ 4.01Å
76A95.4Very high91.9Very high0 Ų049.1 Ų49.10%025%0.251CS..Hα-helixtrans-60.8-42.2173.900000112.4C72 W73 I74 T79 G80 L120 F123C72-A76 WeakPolarHBondContact O-CB 3.18Å; C72-A76 PolarHBondContact O-N 3.32Å; W73-A76 WeakPolarHBondContact O-CB 3.4Å; W73-A76 PolarHBondContact O-N 3.28Å; I74-A76 VanDerWaalsContact C-N 3.3Å; I74-A76 PolarHBondContact O-N 3.11Å; A76-T79 WeakPolarHBondContact CA-OG1 3.4Å; A76-T79 PolarHBondContact O-OG1 2.7Å; A76-T79 VanDerWaalsContact O-OG1 3.06Å; A76-G80 PolarHBondContact O-N 3.49Å; A76-L120 HydrophobicContact CB-CD2 3.85Å; A76-L120 HydrophobicContact CB-CG 4.4Å; A76-F123 HydrophobicContact CB-CB 3.57Å; A76-F123 HydrophobicContact CB-CD1 4.11Å; A76-F123 HydrophobicContact CB-CD2 3.78Å; A76-F123 HydrophobicContact CB-CE2 4.5Å; A76-F123 HydrophobicContact CB-CG 3.55Å
77I94.3Very high91.8Very high50 Ų5050.9 Ų50.926%0.25626%0.26SS..Hα-helixtrans-64.7-48.5176.1-67.6168.7000110.7W73 I74 T79 G80 L81 T116 L120W73-I77 HydrophobicContact CE3-CD1 3.79Å; W73-I77 HydrophobicContact CZ3-CD1 4.09Å; W73-I77 WeakPolarHBondContact O-CG1 3.22Å; W73-I77 PolarHBondContact O-N 2.93Å; I74-I77 PolarHBondContact O-N 3.18Å; I77-T79 PolarHBondContact O-N 2.77Å; I77-G80 PolarHBondContact O-N 3.1Å; I77-L81 HydrophobicContact CG2-CD1 4.09Å; I77-L81 HydrophobicContact CG2-CG 4.41Å; I77-L81 VanDerWaalsContact O-CG 3.3Å; I77-L81 WeakPolarHBondContact O-CG 3.01Å; I77-L81 PolarHBondContact O-N 3.46Å; I77-T116 HydrophobicContact CB-CG2 4.3Å; I77-T116 HydrophobicContact CG1-CG2 4Å; I77-T116 HydrophobicContact CG2-CG2 4.25Å; I77-L120 HydrophobicContact CG1-CD1 4.47Å; I77-L120 HydrophobicContact CG1-CD2 4.14Å; I77-L120 HydrophobicContact CG1-CG 4.44Å
78I92.3Very high91.7Very high89 Ų8948.2 Ų48.246%0.45624%0.244SC..Hα-helixtrans-62.1-47.4-179.6-65.9168.6000110.8I74 L75 G80 L81 L82I74-I78 HydrophobicContact CG2-CD1 3.81Å; I74-I78 HydrophobicContact CG2-CG1 4.47Å; I74-I78 WeakPolarHBondContact O-CG1 3.35Å; I74-I78 PolarHBondContact O-N 3.31Å; L75-I78 PolarHBondContact O-N 3.1Å; I78-G80 VanDerWaalsContact C-N 3.34Å; I78-G80 PolarHBondContact O-N 2.89Å; I78-L81 PolarHBondContact O-N 2.92Å; I78-L82 HydrophobicContact CG2-CD1 4.04Å; I78-L82 VanDerWaalsContact O-CG 3.32Å; I78-L82 WeakPolarHBondContact O-CG 3.43Å; I78-L82 PolarHBondContact O-N 3.21Å
79T93.3Very high91.4Very high38 Ų3845.7 Ų45.723%0.23323%0.231CC..Hα-helixtrans-63.8-40.4177.951.60000111.6L75 A76 I77 L82 A83 F119L75-T79 HydrophobicContact CD1-CG2 4.07Å; L75-T79 HydrophobicContact CG-CG2 4.32Å; L75-T79 WeakPolarHBondContact O-CB 3.32Å; L75-T79 VanDerWaalsContact O-CG2 3.27Å; L75-T79 WeakPolarHBondContact O-CG2 3.49Å; L75-T79 PolarHBondContact O-N 3.2Å; L75-T79 PolarHBondContact O-OG1 3.35Å; A76-T79 WeakPolarHBondContact CA-OG1 3.4Å; A76-T79 PolarHBondContact O-OG1 2.7Å; A76-T79 VanDerWaalsContact O-OG1 3.06Å; I77-T79 PolarHBondContact O-N 2.77Å; T79-L82 PolarHBondContact O-N 3.18Å; T79-A83 WeakPolarHBondContact O-CB 3.18Å; T79-A83 PolarHBondContact O-N 3.34Å; T79-F119 WeakPolarHBondContact OG1-CD1 3.21Å
80G93.6Very high90.9Very high0 Ų053.8 Ų53.80%026%0.261CS..Hα-helixtrans-60.7-45.317500000113.5A76 I77 I78 G84 S115A76-G80 PolarHBondContact O-N 3.49Å; I77-G80 PolarHBondContact O-N 3.1Å; I78-G80 VanDerWaalsContact C-N 3.34Å; I78-G80 PolarHBondContact O-N 2.89Å; G80-G84 PolarHBondContact O-N 2.81Å; G80-S115 VanDerWaalsContact O-CB 3.29Å; G80-S115 WeakPolarHBondContact O-CB 3.29Å; G80-S115 PolarHBondContact O-OG 3.23Å
81L90.5Very high90.4Very high58 Ų5857.3 Ų57.330%0.30428%0.275SS..Hα-helixtrans-62.6-45.9175.4-69.4174.7000111.6I77 I78 G84 K85 M112I77-L81 HydrophobicContact CG2-CD1 4.09Å; I77-L81 HydrophobicContact CG2-CG 4.41Å; I77-L81 VanDerWaalsContact O-CG 3.3Å; I77-L81 WeakPolarHBondContact O-CG 3.01Å; I77-L81 PolarHBondContact O-N 3.46Å; I78-L81 PolarHBondContact O-N 2.92Å; L81-G84 PolarHBondContact O-N 3.23Å; L81-K85 PolarHBondContact O-N 3.41Å; L81-K85 VanDerWaalsContact O-N 3.13Å; L81-M112 HydrophobicContact CD2-CB 3.91Å; L81-M112 HydrophobicContact CD2-SD 4.44Å; L81-M112 WeakPolarHBondContact O-CG 3.31Å
82L89.4Confident90Very high53 Ų5354.3 Ų54.328%0.27726%0.261SS..Hα-helixtrans-66.5-46.2179.5-68174.3000112.1I78 T79 G84 K85 F86 F291 Y295I78-L82 HydrophobicContact CG2-CD1 4.04Å; I78-L82 VanDerWaalsContact O-CG 3.32Å; I78-L82 WeakPolarHBondContact O-CG 3.43Å; I78-L82 PolarHBondContact O-N 3.21Å; T79-L82 PolarHBondContact O-N 3.18Å; L82-G84 VanDerWaalsContact C-N 3.3Å; L82-G84 PolarHBondContact O-N 3.36Å; L82-K85 PolarHBondContact O-N 3.5Å; L82-F86 HydrophobicContact CD2-CD2 4.45Å; L82-F86 HydrophobicContact CD2-CE2 4Å; L82-F86 VanDerWaalsContact O-CD2 3.3Å; L82-F86 WeakPolarHBondContact O-CD2 3.25Å; L82-F86 PolarHBondContact O-N 2.92Å; L82-F291 HydrophobicContact CD1-CZ 4.01Å; L82-F291 HydrophobicContact CD2-CE1 3.9Å; L82-F291 HydrophobicContact CD2-CE2 4.46Å; L82-F291 HydrophobicContact CD2-CZ 3.54Å; L82-F291 HydrophobicContact CG-CZ 4.46Å; L82-Y295 HydrophobicContact CD2-CE2 4.44Å
83A91.1Very high89.6Confident8 Ų855.9 Ų55.97%0.06627%0.266CS..Hα-helixtrans-62.3-39.5175.900000111.3T79 K85 I87 F88 F119T79-A83 WeakPolarHBondContact O-CB 3.18Å; T79-A83 PolarHBondContact O-N 3.34Å; A83-K85 PolarHBondContact O-N 3.28Å; A83-I87 HydrophobicContact CB-CD1 4.02Å; A83-I87 WeakPolarHBondContact O-CA 3.32Å; A83-I87 VanDerWaalsContact O-CB 3.28Å; A83-I87 WeakPolarHBondContact O-CB 3.32Å; A83-I87 PolarHBondContact O-N 3.18Å; A83-F88 PolarHBondContact O-N 3.29Å; A83-F119 HydrophobicContact CB-CD2 4.25Å; A83-F119 HydrophobicContact CB-CE2 3.38Å; A83-F119 HydrophobicContact CB-CZ 3.6Å
84G88.9Confident88.8Confident0 Ų054.3 Ų54.30%027%0.268CS..Iπ-helixtrans-57.9-44.1176.300000113.3G80 L81 L82 H89 T111 S115G80-G84 PolarHBondContact O-N 2.81Å; L81-G84 PolarHBondContact O-N 3.23Å; L82-G84 VanDerWaalsContact C-N 3.3Å; L82-G84 PolarHBondContact O-N 3.36Å; G84-H89 VanDerWaalsContact O-CB 3.25Å; G84-H89 WeakPolarHBondContact O-CB 3.21Å; G84-H89 PolarHBondContact O-N 3.45Å; G84-T111 PolarHBondContact O-OG1 3.39Å; G84-S115 VanDerWaalsContact CA-CB 3.5Å; G84-S115 PolarHBondContact N-OG 2.8Å
85K86.1Confident88Confident27 Ų2760.7 Ų60.712%0.11729%0.288CS..Iπ-helixtrans-77.5-50179.2-171.8164.4-171.1163.10112.8L81 L82 A83 H89 R90 D105 M112 Y295 H296L81-K85 PolarHBondContact O-N 3.41Å; L81-K85 VanDerWaalsContact O-N 3.13Å; L82-K85 PolarHBondContact O-N 3.5Å; A83-K85 PolarHBondContact O-N 3.28Å; K85-H89 WeakPolarHBondContact O-CB 3.18Å; K85-R90 PolarHBondContact O-N 3.14Å; K85-R90 VanDerWaalsContact O-N 3.08Å; K85-D105 WeakPolarHBondContact CE-OD1 3.29Å; K85-D105 IonicContact NZ-OD1 3.62Å; K85-D105 PolarHBondContact NZ-OD1 3.45Å; K85-D105 IonicContact NZ-OD2 2.68Å; K85-M112 HydrophobicContact CB-CG 4.19Å; K85-M112 HydrophobicContact CB-SD 4.08Å; K85-Y295 WeakPolarHBondContact CB-OH 3.48Å; K85-Y295 HydrophobicContact CD-CD2 4.47Å; K85-Y295 HydrophobicContact CD-CE1 4.28Å; K85-Y295 HydrophobicContact CD-CE2 3.55Å; K85-Y295 VanDerWaalsContact CD-CZ 3.44Å; K85-Y295 WeakPolarHBondContact CD-OH 3.26Å; K85-H296 PolarHBondContact NZ-O 2.86Å
86F86.4Confident87.3Confident77 Ų7764.9 Ų64.934%0.33830%0.298SS..Iπ-helixtrans-86.9-40.3-170.5-65.9-67.8000113.8L82 Q91 F291 Y295L82-F86 HydrophobicContact CD2-CD2 4.45Å; L82-F86 HydrophobicContact CD2-CE2 4Å; L82-F86 VanDerWaalsContact O-CD2 3.3Å; L82-F86 WeakPolarHBondContact O-CD2 3.25Å; L82-F86 PolarHBondContact O-N 2.92Å; F86-Q91 PolarHBondContact O-N 2.95Å; F86-F291 HydrophobicContact CE2-CE1 4.29Å; F86-Y295 HydrophobicContact CE2-CE2 4.28Å; F86-Y295 HydrophobicContact CZ-CE2 4.42Å
87I88.1Confident86.5Confident89 Ų8967.6 Ų67.646%0.45631%0.313SS..Iπ-helixtrans-89.3-57-175.1-55.4176.2000109.9A83 Q91 L92A83-I87 HydrophobicContact CB-CD1 4.02Å; A83-I87 WeakPolarHBondContact O-CA 3.32Å; A83-I87 VanDerWaalsContact O-CB 3.28Å; A83-I87 WeakPolarHBondContact O-CB 3.32Å; A83-I87 PolarHBondContact O-N 3.18Å; I87-Q91 WeakPolarHBondContact O-CB 3.44Å; I87-Q91 PolarHBondContact O-N 3.45Å; I87-L92 PolarHBondContact O-N 3.02Å
88F87.9Confident85.7Confident57 Ų5770 Ų7025%0.2532%0.319CS..Iπ-helixtrans-73.9-54.3-175-68.7-71000112A83 L92 F93 S115 L118 F119A83-F88 PolarHBondContact O-N 3.29Å; F88-L92 HydrophobicContact CD1-CD2 3.96Å; F88-L92 WeakPolarHBondContact O-CB 3.36Å; F88-L92 PolarHBondContact O-N 3.24Å; F88-F93 HydrophobicContact CB-CE2 4.22Å; F88-F93 WeakPolarHBondContact O-CD2 3.07Å; F88-F93 WeakPolarHBondContact O-CG 3.47Å; F88-F93 PolarHBondContact O-N 3.48Å; F88-S115 WeakPolarHBondContact CE2-OG 3.37Å; F88-L118 HydrophobicContact CE2-CD2 4.42Å; F88-L118 HydrophobicContact CZ-CD2 3.92Å; F88-F119 HydrophobicContact CE2-CE2 4.46Å
89H85.6Confident85Confident7 Ų766.7 Ų66.73%0.03230%0.302CS..Iπ-helixtrans-71.5-60.5-176.1173.3-117.2000112.9G84 K85 G94 F102 E104 H106 S108 T111G84-H89 VanDerWaalsContact O-CB 3.25Å; G84-H89 WeakPolarHBondContact O-CB 3.21Å; G84-H89 PolarHBondContact O-N 3.45Å; K85-H89 WeakPolarHBondContact O-CB 3.18Å; H89-G94 PolarHBondContact O-N 2.92Å; H89-F102 AromaticContact CD2-CD1 3.74Å; H89-F102 PolarHBondContact NE2-O 3.35Å; H89-F102 VanDerWaalsContact NE2-O 3.16Å; H89-E104 PolarHBondContact CE1-O 2.65Å; H89-H106 PolarHBondContact NE2-O 2.91Å; H89-S108 PolarHBondContact ND1-OG 2.89Å; H89-T111 HydrophobicContact CB-CG2 4.35Å; H89-T111 WeakPolarHBondContact CB-OG1 3.17Å
90R82.6Confident83.9Confident169 Ų16966.3 Ų66.364%0.63830%0.297SS*.Iπ-helixtrans-70.7-47.4-176.2-172177.9179.8175.51.8113.6K85 R95K85-R90 PolarHBondContact O-N 3.14Å; K85-R90 VanDerWaalsContact O-N 3.08Å; R90-R95 PolarHBondContact O-N 3.34Å; R90-R95 VanDerWaalsContact O-N 3.15Å
91Q83Confident82.8Confident122 Ų12267.5 Ų67.557%0.5730%0.303SS*.Iπ-helixtrans-86.4-53.4-172.1-174.4176.5-1.600112.9F86 I87 R95 Y96F86-Q91 PolarHBondContact O-N 2.95Å; I87-Q91 WeakPolarHBondContact O-CB 3.44Å; I87-Q91 PolarHBondContact O-N 3.45Å; Q91-R95 WeakPolarHBondContact O-CB 3.44Å; Q91-R95 PolarHBondContact O-N 2.89Å; Q91-Y96 PolarHBondContact O-N 3.2Å
92L84.6Confident81.9Confident63 Ų6365.3 Ų65.333%0.3329%0.291SS..Iπ-helixtrans-74.2-57.8-176.8-178.267.7000111.9I87 F88 Y96 L97I87-L92 PolarHBondContact O-N 3.02Å; F88-L92 HydrophobicContact CD1-CD2 3.96Å; F88-L92 WeakPolarHBondContact O-CB 3.36Å; F88-L92 PolarHBondContact O-N 3.24Å; L92-Y96 HydrophobicContact CD1-CD1 4.04Å; L92-Y96 WeakPolarHBondContact O-CB 3.2Å; L92-Y96 PolarHBondContact O-N 3.43Å; L92-L97 HydrophobicContact CG-CD1 4.3Å; L92-L97 PolarHBondContact O-N 3.21Å
93F83.4Confident81Confident49 Ų4969.2 Ų69.222%0.21530%0.302CS..Iπ-helixtrans-76.7-44-175.7-62.4-46.1000112.7F88 L97 R98 L99 F102 T111F88-F93 HydrophobicContact CB-CE2 4.22Å; F88-F93 WeakPolarHBondContact O-CD2 3.07Å; F88-F93 WeakPolarHBondContact O-CG 3.47Å; F88-F93 PolarHBondContact O-N 3.48Å; F93-L97 HydrophobicContact CD1-CD1 3.69Å; F93-L97 HydrophobicContact CE1-CD1 4.01Å; F93-R98 PolarHBondContact O-N 3.06Å; F93-R98 VanDerWaalsContact O-N 3.12Å; F93-L99 HydrophobicContact CB-CD1 4.47Å; F93-L99 HydrophobicContact CD1-CD1 3.92Å; F93-L99 PolarHBondContact O-N 3.27Å; F93-L99 VanDerWaalsContact O-N 3.1Å; F93-F102 HydrophobicContact CB-CB 4.1Å; F93-F102 HydrophobicContact CB-CD2 3.5Å; F93-F102 HydrophobicContact CB-CE2 4.01Å; F93-F102 HydrophobicContact CB-CG 3.86Å; F93-F102 HydrophobicContact CD1-CD2 4.42Å; F93-F102 HydrophobicContact CD1-CE2 4.12Å; F93-F102 HydrophobicContact CD2-CD2 4.21Å; F93-F102 HydrophobicContact CD2-CE1 4.36Å; F93-F102 AromaticContact CD2-CE2 3.95Å; F93-F102 HydrophobicContact CD2-CE2 3.95Å; F93-F102 HydrophobicContact CD2-CG 4.49Å; F93-F102 HydrophobicContact CD2-CZ 4.04Å; F93-F102 HydrophobicContact CE2-CZ 4.35Å; F93-F102 AromaticContact CG-CD2 3.82Å; F93-F102 HydrophobicContact CG-CD2 3.82Å; F93-F102 AromaticContact CG-CE2 3.77Å; F93-F102 HydrophobicContact CG-CE2 3.77Å; F93-F102 HydrophobicContact CG-CG 4.37Å; F93-F102 HydrophobicContact CG-CZ 4.33Å; F93-T111 HydrophobicContact CD2-CG2 3.75Å; F93-T111 HydrophobicContact CE2-CG2 3.63Å
94G78.1Confident80.1Confident26 Ų2676 Ų7627%0.26833%0.332SS..Iπ-helixtrans-71.9-55.2-18000000113.7H89 R98H89-G94 PolarHBondContact O-N 2.92Å; G94-R98 WeakPolarHBondContact O-CA 3.31Å
95R78.9Confident79.3Confident206 Ų20678.3 Ų78.378%0.77734%0.344SS*.Iπ-helixtrans-90.6-43-171.6-166.6175.4-177.9170.41.9114.3R90 Q91 R98R90-R95 PolarHBondContact O-N 3.34Å; R90-R95 VanDerWaalsContact O-N 3.15Å; Q91-R95 WeakPolarHBondContact O-CB 3.44Å; Q91-R95 PolarHBondContact O-N 2.89Å; R95-R98 WeakPolarHBondContact O-CG 3.39Å
96Y80.7Confident78.7Confident174 Ų17478.5 Ų78.568%0.68235%0.346SS*.Iπ-helixtrans-83.2-54.8-175-174.9-103.5000112.3Q91 L92Q91-Y96 PolarHBondContact O-N 3.2Å; L92-Y96 HydrophobicContact CD1-CD1 4.04Å; L92-Y96 WeakPolarHBondContact O-CB 3.2Å; L92-Y96 PolarHBondContact O-N 3.43Å
97L77.9Confident78.1Confident58 Ų5875 Ų7530%0.30433%0.331SS..SBendtrans-80.5-21.9-179.8-64.6172.7000112.7L92 F93 L99 R417L92-L97 HydrophobicContact CG-CD1 4.3Å; L92-L97 PolarHBondContact O-N 3.21Å; F93-L97 HydrophobicContact CD1-CD1 3.69Å; F93-L97 HydrophobicContact CE1-CD1 4.01Å; L97-L99 VanDerWaalsContact C-N 3.29Å; L97-L99 HydrophobicContact CB-CD1 3.98Å; L97-L99 HydrophobicContact CB-CG 3.81Å; L97-L99 HydrophobicContact CD1-CD1 4.18Å; L97-L99 PolarHBondContact O-N 3.44Å; L97-R417 PolarHBondContact O-NE 3.12Å
98R78.1Confident77.7Confident100 Ų10070.9 Ų70.938%0.37731%0.31SS..  trans52.347.5-179.5-62-173.4-178.4172.61.2111.7F93 G94 R95 R417 F418 D420F93-R98 PolarHBondContact O-N 3.06Å; F93-R98 VanDerWaalsContact O-N 3.12Å; G94-R98 WeakPolarHBondContact O-CA 3.31Å; R95-R98 WeakPolarHBondContact O-CG 3.39Å; R98-R417 WeakPolarHBondContact O-CA 3.1Å; R98-F418 HydrophobicContact CB-CB 4.43Å; R98-F418 HydrophobicContact CB-CD2 4.08Å; R98-F418 VanDerWaalsContact O-CD2 3.26Å; R98-F418 WeakPolarHBondContact O-CD2 3.3Å; R98-F418 PolarHBondContact O-N 3.43Å; R98-F418 VanDerWaalsContact O-N 3.16Å; R98-D420 IonicContact CZ-OD1 2.66Å; R98-D420 IonicContact NH1-OD1 3.39Å; R98-D420 PolarHBondContact NH1-OD1 3.29Å
99L76.2Confident77.5Confident20 Ų2071.8 Ų71.811%0.10531%0.312CS..BIsolated β-bridgetrans-80.9121.5-179.9-65.6170000109.3F93 L97 M101 F102 V412 R417F93-L99 HydrophobicContact CB-CD1 4.47Å; F93-L99 HydrophobicContact CD1-CD1 3.92Å; F93-L99 PolarHBondContact O-N 3.27Å; F93-L99 VanDerWaalsContact O-N 3.1Å; L97-L99 VanDerWaalsContact C-N 3.29Å; L97-L99 HydrophobicContact CB-CD1 3.98Å; L97-L99 HydrophobicContact CB-CG 3.81Å; L97-L99 HydrophobicContact CD1-CD1 4.18Å; L97-L99 PolarHBondContact O-N 3.44Å; L99-M101 HydrophobicContact CB-CE 4.46Å; L99-M101 HydrophobicContact CB-CG 4.4Å; L99-M101 HydrophobicContact CD1-CE 3.91Å; L99-M101 HydrophobicContact CD2-CE 4.48Å; L99-M101 PolarHBondContact O-N 3.29Å; L99-F102 HydrophobicContact CB-CD2 4.02Å; L99-F102 HydrophobicContact CD1-CD2 4.06Å; L99-F102 HydrophobicContact CD1-CE2 4.08Å; L99-F102 PolarHBondContact O-N 3.49Å; L99-V412 HydrophobicContact CD2-CG1 4.01Å; L99-R417 HydrophobicContact CD2-CG 4.25Å
100K69.8Low77.4Confident29 Ų2972.2 Ų72.213%0.12631%0.314CS..G310 helixtrans-55.3-39.3178.8-70.7-172.6173-166.30110.6F102 R103 M265 G416 R417 F418 E422K100-F102 PolarHBondContact O-N 3.13Å; K100-R103 WeakPolarHBondContact O-CB 3.32Å; K100-R103 PolarHBondContact O-N 3.19Å; K100-R103 VanDerWaalsContact O-N 3.16Å; K100-M265 HydrophobicContact CB-CG 4.4Å; K100-M265 WeakPolarHBondContact O-CE 3.46Å; K100-G416 WeakPolarHBondContact CB-O 3.32Å; K100-G416 PolarHBondContact N-O 3.15Å; K100-R417 WeakPolarHBondContact CE-O 3.35Å; K100-F418 HydrophobicContact CB-CE2 4.39Å; K100-F418 HydrophobicContact CB-CZ 4.41Å; K100-F418 HydrophobicContact CD-CD1 4.48Å; K100-F418 HydrophobicContact CD-CE1 4.47Å; K100-F418 HydrophobicContact CG-CD1 4.08Å; K100-F418 HydrophobicContact CG-CD2 3.96Å; K100-F418 HydrophobicContact CG-CE1 3.95Å; K100-F418 HydrophobicContact CG-CE2 3.82Å; K100-F418 HydrophobicContact CG-CG 4.08Å; K100-F418 HydrophobicContact CG-CZ 3.81Å; K100-E422 VanDerWaalsContact CE-OE2 3.24Å; K100-E422 WeakPolarHBondContact CE-OE2 3.21Å; K100-E422 IonicContact NZ-OE1 3.23Å; K100-E422 PolarHBondContact NZ-OE1 3.34Å; K100-E422 IonicContact NZ-OE2 3.93Å; K100-E422 PolarHBondContact NZ-OE2 2.74Å
101M71.1Confident77.7Confident25 Ų2564.5 Ų64.512%0.12329%0.286CS..G310 helixtrans-55.3-28.5-177.287.2175.5121.600115.1L99 H263 F264 W303 V412L99-M101 HydrophobicContact CB-CE 4.46Å; L99-M101 HydrophobicContact CB-CG 4.4Å; L99-M101 HydrophobicContact CD1-CE 3.91Å; L99-M101 HydrophobicContact CD2-CE 4.48Å; L99-M101 PolarHBondContact O-N 3.29Å; M101-H263 WeakPolarHBondContact CA-O 3.23Å; M101-F264 HydrophobicContact CB-CB 4.3Å; M101-F264 HydrophobicContact CB-CD2 3.88Å; M101-F264 HydrophobicContact SD-CD2 4.16Å; M101-F264 HydrophobicContact SD-CE2 4.31Å; M101-W303 HydrophobicContact CB-CH2 4.08Å; M101-W303 HydrophobicContact CB-CZ2 3.78Å; M101-W303 HydrophobicContact CG-CH2 3.71Å; M101-W303 HydrophobicContact CG-CZ2 3.89Å; M101-W303 WeakPolarHBondContact O-CZ2 3.24Å; M101-W303 HydrophobicContact SD-CH2 3.58Å; M101-W303 VanDerWaalsContact SD-CH2 3.58Å; M101-W303 HydrophobicContact SD-CZ2 4.26Å; M101-V412 HydrophobicContact CE-CG1 4Å
102F72.3Confident78Confident12 Ų1258.9 Ų58.95%0.05326%0.26CS..G310 helixtrans-99.423.4-176.3-69.5-70.6000113.8H89 F93 L99 K100 M110 T111 W303H89-F102 AromaticContact CD2-CD1 3.74Å; H89-F102 PolarHBondContact NE2-O 3.35Å; H89-F102 VanDerWaalsContact NE2-O 3.16Å; F93-F102 HydrophobicContact CB-CB 4.1Å; F93-F102 HydrophobicContact CB-CD2 3.5Å; F93-F102 HydrophobicContact CB-CE2 4.01Å; F93-F102 HydrophobicContact CB-CG 3.86Å; F93-F102 HydrophobicContact CD1-CD2 4.42Å; F93-F102 HydrophobicContact CD1-CE2 4.12Å; F93-F102 HydrophobicContact CD2-CD2 4.21Å; F93-F102 HydrophobicContact CD2-CE1 4.36Å; F93-F102 AromaticContact CD2-CE2 3.95Å; F93-F102 HydrophobicContact CD2-CE2 3.95Å; F93-F102 HydrophobicContact CD2-CG 4.49Å; F93-F102 HydrophobicContact CD2-CZ 4.04Å; F93-F102 HydrophobicContact CE2-CZ 4.35Å; F93-F102 AromaticContact CG-CD2 3.82Å; F93-F102 HydrophobicContact CG-CD2 3.82Å; F93-F102 AromaticContact CG-CE2 3.77Å; F93-F102 HydrophobicContact CG-CE2 3.77Å; F93-F102 HydrophobicContact CG-CG 4.37Å; F93-F102 HydrophobicContact CG-CZ 4.33Å; L99-F102 HydrophobicContact CB-CD2 4.02Å; L99-F102 HydrophobicContact CD1-CD2 4.06Å; L99-F102 HydrophobicContact CD1-CE2 4.08Å; L99-F102 PolarHBondContact O-N 3.49Å; K100-F102 PolarHBondContact O-N 3.13Å; F102-M110 HydrophobicContact CE1-CE 4.16Å; F102-M110 HydrophobicContact CZ-CE 4.01Å; F102-T111 HydrophobicContact CD1-CG2 4.23Å; F102-T111 HydrophobicContact CE1-CG2 3.59Å; F102-T111 HydrophobicContact CZ-CG2 4.14Å; F102-W303 HydrophobicContact CD1-CH2 4.38Å; F102-W303 AromaticContact CE1-CH2 3.96Å; F102-W303 HydrophobicContact CE1-CH2 3.96Å; F102-W303 HydrophobicContact CE1-CZ3 4.18Å; F102-W303 HydrophobicContact CZ-CH2 4.19Å; F102-W303 HydrophobicContact CZ-CZ3 4.49Å
103R69.8Low78.2Confident136 Ų13659.3 Ų59.351%0.51326%0.259SS..SBendtrans-62.5144.6177.6-169.9174.6175.4158.82111.6K100 D105 H106 M265K100-R103 WeakPolarHBondContact O-CB 3.32Å; K100-R103 PolarHBondContact O-N 3.19Å; K100-R103 VanDerWaalsContact O-N 3.16Å; R103-D105 PolarHBondContact O-N 2.86Å; R103-D105 VanDerWaalsContact O-N 3.16Å; R103-H106 WeakPolarHBondContact O-CB 3.43Å; R103-H106 PolarHBondContact O-CD2 3.4Å; R103-H106 PolarHBondContact O-N 3.28Å; R103-M265 HydrophobicContact CB-CE 3.76Å; R103-M265 HydrophobicContact CB-SD 3.79Å; R103-M265 HydrophobicContact CG-SD 4.49Å
104E72.9Confident78.6Confident150 Ų15060.1 Ų60.170%0.70126%0.263SS*.THydrogen-bonded Turntrans55.6-110.7-179.7-68.8172.2-158.100113H89H89-E104 PolarHBondContact CE1-O 2.65Å
105D70.7Confident79.3Confident48 Ų4859 Ų5926%0.25725%0.251SS..THydrogen-bonded Turntrans-115.97.8176.8-85.3-39.7000112.4K85 R103 G107 S108 H298K85-D105 WeakPolarHBondContact CE-OD1 3.29Å; K85-D105 IonicContact NZ-OD1 3.62Å; K85-D105 PolarHBondContact NZ-OD1 3.45Å; K85-D105 IonicContact NZ-OD2 2.68Å; R103-D105 PolarHBondContact O-N 2.86Å; R103-D105 VanDerWaalsContact O-N 3.16Å; D105-G107 PolarHBondContact O-N 3.38Å; D105-S108 VanDerWaalsContact O-CB 3.3Å; D105-S108 WeakPolarHBondContact O-CB 3.39Å; D105-S108 PolarHBondContact O-N 3.05Å; D105-H298 HydrophobicContact CB-CB 3.93Å
106H73.8Confident80Confident32 Ų3250 Ų5015%0.14822%0.219CC..THydrogen-bonded Turntrans-64.6134.8177.9-72-91.1000111.2H89 R103 S108 W303H89-H106 PolarHBondContact NE2-O 2.91Å; R103-H106 WeakPolarHBondContact O-CB 3.43Å; R103-H106 PolarHBondContact O-CD2 3.4Å; R103-H106 PolarHBondContact O-N 3.28Å; H106-S108 PolarHBondContact O-N 2.83Å; H106-W303 AromaticContact ND1-CD1 3.79Å; H106-W303 AromaticContact ND1-NE1 3.93Å
107G73.7Confident80.6Confident2 Ų244.2 Ų44.22%0.02120%0.199CC..THydrogen-bonded Turntrans68.6-3-177.900000115.7D105 W109 M110 T111 W303D105-G107 PolarHBondContact O-N 3.38Å; G107-W109 VanDerWaalsContact C-N 3.26Å; G107-W109 PolarHBondContact O-N 3.28Å; G107-M110 WeakPolarHBondContact O-CB 3.29Å; G107-M110 PolarHBondContact O-N 3.07Å; G107-T111 PolarHBondContact O-N 2.78Å; G107-W303 VanDerWaalsContact N-CG 3.33Å
108S81.4Confident81.4Confident4 Ų445.1 Ų45.13%0.02820%0.204CC..Hα-helixtrans-61-34.6-177.7-161.70000112.4H89 D105 H106 M110 T111 M112H89-S108 PolarHBondContact ND1-OG 2.89Å; D105-S108 VanDerWaalsContact O-CB 3.3Å; D105-S108 WeakPolarHBondContact O-CB 3.39Å; D105-S108 PolarHBondContact O-N 3.05Å; H106-S108 PolarHBondContact O-N 2.83Å; S108-M110 VanDerWaalsContact C-N 3.34Å; S108-M110 PolarHBondContact O-N 3.46Å; S108-T111 PolarHBondContact O-N 3.15Å; S108-T111 PolarHBondContact O-OG1 3.24Å; S108-M112 VanDerWaalsContact O-CB 3.31Å; S108-M112 WeakPolarHBondContact O-CB 3.38Å; S108-M112 WeakPolarHBondContact O-CE 3.34Å; S108-M112 WeakPolarHBondContact O-CG 3.27Å; S108-M112 PolarHBondContact O-N 3.24Å
109W82.3Confident82.3Confident75 Ų7542.5 Ų42.528%0.28420%0.195SC..Hα-helixtrans-59.7-43.3174.3174.786.9000112.6G107 M112 F113 I299G107-W109 VanDerWaalsContact C-N 3.26Å; G107-W109 PolarHBondContact O-N 3.28Å; W109-M112 WeakPolarHBondContact O-CB 3.32Å; W109-M112 PolarHBondContact O-N 3.27Å; W109-F113 WeakPolarHBondContact O-CB 3.41Å; W109-F113 PolarHBondContact O-N 3.43Å; W109-I299 HydrophobicContact CB-CG1 4.32Å; W109-I299 HydrophobicContact CG-CD1 4.3Å; W109-I299 HydrophobicContact CG-CG1 4.24Å
110M84.3Confident83.2Confident16 Ų1642.3 Ų42.38%0.07919%0.194CC..Hα-helixtrans-66.6-43.5-179.2-175.8-174.474.500110.9F102 G107 S108 M112 F113 F114 W303 F310F102-M110 HydrophobicContact CE1-CE 4.16Å; F102-M110 HydrophobicContact CZ-CE 4.01Å; G107-M110 WeakPolarHBondContact O-CB 3.29Å; G107-M110 PolarHBondContact O-N 3.07Å; S108-M110 VanDerWaalsContact C-N 3.34Å; S108-M110 PolarHBondContact O-N 3.46Å; M110-M112 VanDerWaalsContact C-N 3.33Å; M110-M112 PolarHBondContact O-N 3.29Å; M110-F113 PolarHBondContact O-N 2.88Å; M110-F114 HydrophobicContact CG-CD2 3.75Å; M110-F114 HydrophobicContact CG-CE2 3.5Å; M110-F114 VanDerWaalsContact CG-CE2 3.5Å; M110-F114 VanDerWaalsContact O-CD2 3.26Å; M110-F114 WeakPolarHBondContact O-CD2 3.37Å; M110-F114 PolarHBondContact O-N 3.23Å; M110-F114 HydrophobicContact SD-CE2 4.14Å; M110-W303 HydrophobicContact CE-CE3 4.42Å; M110-W303 HydrophobicContact CE-CZ3 3.72Å; M110-W303 HydrophobicContact SD-CE3 4.46Å; M110-W303 HydrophobicContact SD-CZ3 4.21Å; M110-F310 HydrophobicContact CE-CD2 4.4Å; M110-F310 HydrophobicContact CE-CE2 4.45Å; M110-F310 HydrophobicContact SD-CB 4.38Å; M110-F310 HydrophobicContact SD-CD2 3.54Å; M110-F310 VanDerWaalsContact SD-CD2 3.54Å; M110-F310 HydrophobicContact SD-CE2 4.12Å; M110-F310 HydrophobicContact SD-CG 4.15Å
111T88.1Confident84.4Confident7 Ų743.3 Ų43.34%0.04320%0.198CC..Hα-helixtrans-66.2-37.317763.70000111.7G84 H89 F93 F102 G107 S108 S115G84-T111 PolarHBondContact O-OG1 3.39Å; H89-T111 HydrophobicContact CB-CG2 4.35Å; H89-T111 WeakPolarHBondContact CB-OG1 3.17Å; F93-T111 HydrophobicContact CD2-CG2 3.75Å; F93-T111 HydrophobicContact CE2-CG2 3.63Å; F102-T111 HydrophobicContact CD1-CG2 4.23Å; F102-T111 HydrophobicContact CE1-CG2 3.59Å; F102-T111 HydrophobicContact CZ-CG2 4.14Å; G107-T111 PolarHBondContact O-N 2.78Å; S108-T111 PolarHBondContact O-N 3.15Å; S108-T111 PolarHBondContact O-OG1 3.24Å; T111-S115 WeakPolarHBondContact O-CB 3.49Å; T111-S115 PolarHBondContact O-N 3.07Å
112M89.4Confident85.5Confident4 Ų445.5 Ų45.52%0.0221%0.21CC..Hα-helixtrans-61.8-42.6172.1-76.1-170.2-68.900112.1L81 K85 S108 W109 M110 T116 Y295 I297L81-M112 HydrophobicContact CD2-CB 3.91Å; L81-M112 HydrophobicContact CD2-SD 4.44Å; L81-M112 WeakPolarHBondContact O-CG 3.31Å; K85-M112 HydrophobicContact CB-CG 4.19Å; K85-M112 HydrophobicContact CB-SD 4.08Å; S108-M112 VanDerWaalsContact O-CB 3.31Å; S108-M112 WeakPolarHBondContact O-CB 3.38Å; S108-M112 WeakPolarHBondContact O-CE 3.34Å; S108-M112 WeakPolarHBondContact O-CG 3.27Å; S108-M112 PolarHBondContact O-N 3.24Å; W109-M112 WeakPolarHBondContact O-CB 3.32Å; W109-M112 PolarHBondContact O-N 3.27Å; M110-M112 VanDerWaalsContact C-N 3.33Å; M110-M112 PolarHBondContact O-N 3.29Å; M112-T116 WeakPolarHBondContact O-CB 3.35Å; M112-T116 PolarHBondContact O-N 2.84Å; M112-T116 PolarHBondContact O-OG1 3.19Å; M112-Y295 HydrophobicContact SD-CE1 4.36Å; M112-Y295 PolarHBondContact SD-OH 3.42Å; M112-I297 HydrophobicContact CE-CD1 4.44Å; M112-I297 HydrophobicContact CE-CG1 4.36Å; M112-I297 HydrophobicContact CE-CG2 4.12Å
113F89.6Confident86.6Confident73 Ų7346.4 Ų46.432%0.3221%0.214SC..Hα-helixtrans-62.6-53.8177.3177.4-103.6000112.1W109 M110 S115 T116 I117 L311W109-F113 WeakPolarHBondContact O-CB 3.41Å; W109-F113 PolarHBondContact O-N 3.43Å; M110-F113 PolarHBondContact O-N 2.88Å; F113-S115 PolarHBondContact O-N 3.32Å; F113-T116 WeakPolarHBondContact O-CB 3.32Å; F113-T116 PolarHBondContact O-N 3.19Å; F113-T116 VanDerWaalsContact O-N 3.1Å; F113-I117 HydrophobicContact CD1-CD1 4.22Å; F113-I117 HydrophobicContact CE1-CD1 3.64Å; F113-I117 HydrophobicContact CE2-CD1 4.5Å; F113-I117 HydrophobicContact CZ-CD1 3.81Å; F113-I117 PolarHBondContact O-N 3.43Å; F113-I117 VanDerWaalsContact O-N 3.16Å; F113-L311 HydrophobicContact CE1-CD1 4.08Å; F113-L311 HydrophobicContact CZ-CD1 4.11Å
114F90.6Very high87.8Confident66 Ų6639.9 Ų39.929%0.28919%0.189SC..Hα-helixtrans-65.8-38.4-180-72.8-60.1000113M110 T116 I117 L118 F310 I314M110-F114 HydrophobicContact CG-CD2 3.75Å; M110-F114 HydrophobicContact CG-CE2 3.5Å; M110-F114 VanDerWaalsContact CG-CE2 3.5Å; M110-F114 VanDerWaalsContact O-CD2 3.26Å; M110-F114 WeakPolarHBondContact O-CD2 3.37Å; M110-F114 PolarHBondContact O-N 3.23Å; M110-F114 HydrophobicContact SD-CE2 4.14Å; F114-T116 VanDerWaalsContact C-N 3.27Å; F114-T116 PolarHBondContact O-N 3.34Å; F114-I117 HydrophobicContact CD1-CD1 4.39Å; F114-I117 PolarHBondContact O-N 2.93Å; F114-L118 PolarHBondContact O-N 3.05Å; F114-F310 HydrophobicContact CE2-CB 4.5Å; F114-F310 HydrophobicContact CZ-CB 4.38Å; F114-I314 HydrophobicContact CD1-CD1 4.29Å; F114-I314 HydrophobicContact CE1-CD1 3.26Å; F114-I314 HydrophobicContact CZ-CD1 3.5Å; F114-I314 VanDerWaalsContact CZ-CD1 3.5Å
115S93.7Very high88.8Confident3 Ų336.8 Ų36.82%0.02118%0.175CC..Hα-helixtrans-60.6-38.7172.4178.30000111.3G80 G84 F88 T111 F113 I117 L118 F119G80-S115 VanDerWaalsContact O-CB 3.29Å; G80-S115 WeakPolarHBondContact O-CB 3.29Å; G80-S115 PolarHBondContact O-OG 3.23Å; G84-S115 VanDerWaalsContact CA-CB 3.5Å; G84-S115 PolarHBondContact N-OG 2.8Å; F88-S115 WeakPolarHBondContact CE2-OG 3.37Å; T111-S115 WeakPolarHBondContact O-CB 3.49Å; T111-S115 PolarHBondContact O-N 3.07Å; F113-S115 PolarHBondContact O-N 3.32Å; S115-I117 PolarHBondContact O-N 3.11Å; S115-L118 WeakPolarHBondContact O-CB 3.16Å; S115-L118 PolarHBondContact O-N 3.48Å; S115-F119 WeakPolarHBondContact O-CD2 3.45Å; S115-F119 PolarHBondContact O-N 2.96Å
116T94.6Very high89.8Confident17 Ų1738 Ų3810%0.10418%0.18CC..Hα-helixtrans-61.5-42.9175.7-60.40000112.4I77 M112 F113 F114 L118 F119 L120I77-T116 HydrophobicContact CB-CG2 4.3Å; I77-T116 HydrophobicContact CG1-CG2 4Å; I77-T116 HydrophobicContact CG2-CG2 4.25Å; M112-T116 WeakPolarHBondContact O-CB 3.35Å; M112-T116 PolarHBondContact O-N 2.84Å; M112-T116 PolarHBondContact O-OG1 3.19Å; F113-T116 WeakPolarHBondContact O-CB 3.32Å; F113-T116 PolarHBondContact O-N 3.19Å; F113-T116 VanDerWaalsContact O-N 3.1Å; F114-T116 VanDerWaalsContact C-N 3.27Å; F114-T116 PolarHBondContact O-N 3.34Å; T116-L118 VanDerWaalsContact C-N 3.35Å; T116-L118 PolarHBondContact O-N 2.95Å; T116-F119 PolarHBondContact O-N 2.98Å; T116-L120 HydrophobicContact CG2-CD1 4.13Å; T116-L120 HydrophobicContact CG2-CG 4.45Å; T116-L120 WeakPolarHBondContact O-CB 3.01Å; T116-L120 VanDerWaalsContact O-CG 3.31Å; T116-L120 WeakPolarHBondContact O-CG 3.34Å; T116-L120 PolarHBondContact O-N 3.32Å
117I93.4Very high90.7Very high52 Ų5236.5 Ų36.527%0.26717%0.173SC..Hα-helixtrans-61.1-44.9175.1-62.8172.6000110.7V48 F113 F114 S115 F119 L120 F121V48-I117 HydrophobicContact CG1-CG2 4.25Å; F113-I117 HydrophobicContact CD1-CD1 4.22Å; F113-I117 HydrophobicContact CE1-CD1 3.64Å; F113-I117 HydrophobicContact CE2-CD1 4.5Å; F113-I117 HydrophobicContact CZ-CD1 3.81Å; F113-I117 PolarHBondContact O-N 3.43Å; F113-I117 VanDerWaalsContact O-N 3.16Å; F114-I117 HydrophobicContact CD1-CD1 4.39Å; F114-I117 PolarHBondContact O-N 2.93Å; S115-I117 PolarHBondContact O-N 3.11Å; I117-F119 PolarHBondContact O-N 2.86Å; I117-L120 PolarHBondContact O-N 3.07Å; I117-F121 PolarHBondContact O-N 3.49Å
118L94.3Very high91.6Very high76 Ų7637.2 Ų37.240%0.39818%0.177SC..Hα-helixtrans-60.4-46.1177.7178.266.1000112F88 F114 S115 T116 F121 I122F88-L118 HydrophobicContact CE2-CD2 4.42Å; F88-L118 HydrophobicContact CZ-CD2 3.92Å; F114-L118 PolarHBondContact O-N 3.05Å; S115-L118 WeakPolarHBondContact O-CB 3.16Å; S115-L118 PolarHBondContact O-N 3.48Å; T116-L118 VanDerWaalsContact C-N 3.35Å; T116-L118 PolarHBondContact O-N 2.95Å; L118-F121 WeakPolarHBondContact O-CB 3.44Å; L118-F121 PolarHBondContact O-N 3.46Å; L118-I122 HydrophobicContact CD1-CD1 4.33Å; L118-I122 HydrophobicContact CG-CD1 4.07Å; L118-I122 WeakPolarHBondContact O-CG1 3.3Å; L118-I122 PolarHBondContact O-N 2.68Å
119F95.6Very high92Very high46 Ų4641.6 Ų41.620%0.20220%0.199CC..Hα-helixtrans-69.9-35.7179.7-88.2-96.5000112.4T79 A83 F88 S115 T116 I117 F121 I122 F123T79-F119 WeakPolarHBondContact OG1-CD1 3.21Å; A83-F119 HydrophobicContact CB-CD2 4.25Å; A83-F119 HydrophobicContact CB-CE2 3.38Å; A83-F119 HydrophobicContact CB-CZ 3.6Å; F88-F119 HydrophobicContact CE2-CE2 4.46Å; S115-F119 WeakPolarHBondContact O-CD2 3.45Å; S115-F119 PolarHBondContact O-N 2.96Å; T116-F119 PolarHBondContact O-N 2.98Å; I117-F119 PolarHBondContact O-N 2.86Å; F119-F121 VanDerWaalsContact C-N 3.28Å; F119-F121 PolarHBondContact O-N 3.37Å; F119-I122 PolarHBondContact O-N 3.08Å; F119-F123 HydrophobicContact CD1-CD2 4.42Å; F119-F123 HydrophobicContact CD1-CE2 4.13Å; F119-F123 WeakPolarHBondContact O-CB 3.34Å; F119-F123 WeakPolarHBondContact O-CD2 3.32Å; F119-F123 PolarHBondContact O-N 2.89Å
120L95.9Very high92.4Very high15 Ų1540.8 Ų40.88%0.07920%0.2CC..Hα-helixtrans-58.4-42.9169.8-78.9171.4000111.4C52 F55 L56 W73 A76 I77 T116 I117 S124C52-L120 HydrophobicContact CB-CB 4.44Å; F55-L120 HydrophobicContact CD1-CD2 4.08Å; F55-L120 HydrophobicContact CE1-CD2 4.22Å; L56-L120 HydrophobicContact CD1-CD1 3.97Å; L56-L120 HydrophobicContact CD1-CD2 3.63Å; L56-L120 HydrophobicContact CD1-CG 4.37Å; W73-L120 HydrophobicContact CB-CD2 4.08Å; A76-L120 HydrophobicContact CB-CD2 3.85Å; A76-L120 HydrophobicContact CB-CG 4.4Å; I77-L120 HydrophobicContact CG1-CD1 4.47Å; I77-L120 HydrophobicContact CG1-CD2 4.14Å; I77-L120 HydrophobicContact CG1-CG 4.44Å; T116-L120 HydrophobicContact CG2-CD1 4.13Å; T116-L120 HydrophobicContact CG2-CG 4.45Å; T116-L120 WeakPolarHBondContact O-CB 3.01Å; T116-L120 VanDerWaalsContact O-CG 3.31Å; T116-L120 WeakPolarHBondContact O-CG 3.34Å; T116-L120 PolarHBondContact O-N 3.32Å; I117-L120 PolarHBondContact O-N 3.07Å; L120-S124 WeakPolarHBondContact O-CB 3.4Å; L120-S124 PolarHBondContact O-N 3.38Å
121F94.8Very high92.6Very high50 Ų5040.1 Ų40.122%0.21920%0.197CC..Hα-helixtrans-62.8-46.7175.5179.6-104.8000112.2V48 N51 I117 L118 F119 S124 H125V48-F121 HydrophobicContact CB-CD2 4.05Å; V48-F121 HydrophobicContact CB-CE2 4.25Å; V48-F121 HydrophobicContact CG1-CB 4Å; V48-F121 HydrophobicContact CG1-CD2 3.85Å; V48-F121 HydrophobicContact CG1-CG 3.99Å; V48-F121 HydrophobicContact CG2-CD2 4.1Å; V48-F121 HydrophobicContact CG2-CE2 3.94Å; V48-F121 HydrophobicContact CG2-CG 4.5Å; V48-F121 HydrophobicContact CG2-CZ 4.25Å; N51-F121 HydrophobicContact CB-CD2 3.97Å; N51-F121 HydrophobicContact CB-CE2 4.28Å; I117-F121 PolarHBondContact O-N 3.49Å; L118-F121 WeakPolarHBondContact O-CB 3.44Å; L118-F121 PolarHBondContact O-N 3.46Å; F119-F121 VanDerWaalsContact C-N 3.28Å; F119-F121 PolarHBondContact O-N 3.37Å; F121-S124 PolarHBondContact O-N 3.44Å; F121-S124 PolarHBondContact O-OG 2.93Å; F121-H125 AromaticContact CD2-CE1 3.88Å; F121-H125 AromaticContact CE1-CE1 3.8Å; F121-H125 AromaticContact CE2-CE1 3.35Å; F121-H125 WeakPolarHBondContact CE2-CE1 3.27Å; F121-H125 AromaticContact CZ-CE1 3.31Å; F121-H125 WeakPolarHBondContact CZ-CE1 3.4Å; F121-H125 PolarHBondContact O-N 2.93Å; F121-H125 PolarHBondContact O-ND1 3.43Å
122I94.9Very high92.6Very high71 Ų7144.5 Ų44.536%0.36422%0.219SC..Hα-helixtrans-61.8-48.2177.4-66.5165.5000111L118 F119 S124 H125 I126L118-I122 HydrophobicContact CD1-CD1 4.33Å; L118-I122 HydrophobicContact CG-CD1 4.07Å; L118-I122 WeakPolarHBondContact O-CG1 3.3Å; L118-I122 PolarHBondContact O-N 2.68Å; F119-I122 PolarHBondContact O-N 3.08Å; I122-S124 VanDerWaalsContact C-N 3.28Å; I122-S124 PolarHBondContact O-N 3.28Å; I122-H125 WeakPolarHBondContact O-CB 3.24Å; I122-H125 PolarHBondContact O-N 3.22Å; I122-H125 VanDerWaalsContact O-N 3.11Å; I122-I126 HydrophobicContact CG2-CD1 3.99Å; I122-I126 WeakPolarHBondContact O-CG1 3.41Å; I122-I126 PolarHBondContact O-N 3.19Å
123F95.4Very high92.5Very high31 Ų3151.5 Ų51.514%0.13625%0.254CS..Hα-helixtrans-67-28.8179.8-90.3-104000112.7F55 C72 L75 A76 F119 H125 I126 Y127F55-F123 HydrophobicContact CE1-CB 4.01Å; F55-F123 HydrophobicContact CZ-CB 4.25Å; C72-F123 WeakPolarHBondContact O-CD1 3.47Å; L75-F123 HydrophobicContact CB-CE1 4.23Å; L75-F123 HydrophobicContact CD2-CE1 3.76Å; L75-F123 HydrophobicContact CD2-CZ 4.12Å; L75-F123 HydrophobicContact CG-CE1 3.89Å; L75-F123 HydrophobicContact CG-CZ 4.01Å; A76-F123 HydrophobicContact CB-CB 3.57Å; A76-F123 HydrophobicContact CB-CD1 4.11Å; A76-F123 HydrophobicContact CB-CD2 3.78Å; A76-F123 HydrophobicContact CB-CE2 4.5Å; A76-F123 HydrophobicContact CB-CG 3.55Å; F119-F123 HydrophobicContact CD1-CD2 4.42Å; F119-F123 HydrophobicContact CD1-CE2 4.13Å; F119-F123 WeakPolarHBondContact O-CB 3.34Å; F119-F123 WeakPolarHBondContact O-CD2 3.32Å; F119-F123 PolarHBondContact O-N 2.89Å; F123-H125 VanDerWaalsContact C-N 3.27Å; F123-H125 PolarHBondContact O-N 3.26Å; F123-I126 HydrophobicContact CD2-CD1 4.39Å; F123-I126 HydrophobicContact CG-CD1 4.43Å; F123-I126 PolarHBondContact O-N 2.92Å; F123-Y127 WeakPolarHBondContact O-CB 3.37Å; F123-Y127 PolarHBondContact O-N 3.37Å
124S94.4Very high92.3Very high0 Ų050.1 Ų50.10%026%0.256CS..Hα-helixtrans-61.3-37.4172.475.70000111.8L120 F121 I122 N128L120-S124 WeakPolarHBondContact O-CB 3.4Å; L120-S124 PolarHBondContact O-N 3.38Å; F121-S124 PolarHBondContact O-N 3.44Å; F121-S124 PolarHBondContact O-OG 2.93Å; I122-S124 VanDerWaalsContact C-N 3.28Å; I122-S124 PolarHBondContact O-N 3.28Å; S124-N128 PolarHBondContact O-N 3.31Å
125H93.2Very high91.5Very high85 Ų8550.2 Ų50.239%0.39428%0.276SS..Hα-helixtrans-72.7-39.4174.1-69.572.7000112.7N51 F121 I122 F123 Y127 N128 L129N51-H125 PolarHBondContact ND2-CE1 3.33Å; N51-H125 VanDerWaalsContact ND2-CE1 3.32Å; F121-H125 AromaticContact CD2-CE1 3.88Å; F121-H125 AromaticContact CE1-CE1 3.8Å; F121-H125 AromaticContact CE2-CE1 3.35Å; F121-H125 WeakPolarHBondContact CE2-CE1 3.27Å; F121-H125 AromaticContact CZ-CE1 3.31Å; F121-H125 WeakPolarHBondContact CZ-CE1 3.4Å; F121-H125 PolarHBondContact O-N 2.93Å; F121-H125 PolarHBondContact O-ND1 3.43Å; I122-H125 WeakPolarHBondContact O-CB 3.24Å; I122-H125 PolarHBondContact O-N 3.22Å; I122-H125 VanDerWaalsContact O-N 3.11Å; F123-H125 VanDerWaalsContact C-N 3.27Å; F123-H125 PolarHBondContact O-N 3.26Å; H125-Y127 VanDerWaalsContact C-N 3.31Å; H125-Y127 PolarHBondContact O-N 2.9Å; H125-N128 WeakPolarHBondContact O-CB 3.5Å; H125-N128 PolarHBondContact O-N 2.94Å; H125-L129 PolarHBondContact O-N 3.28Å
126I93.3Very high90.7Very high73 Ų7354.2 Ų54.237%0.37430%0.304SS..Hα-helixtrans-61-43.8174-64170.5000110.1I122 F123 N128 L129 I130I122-I126 HydrophobicContact CG2-CD1 3.99Å; I122-I126 WeakPolarHBondContact O-CG1 3.41Å; I122-I126 PolarHBondContact O-N 3.19Å; F123-I126 HydrophobicContact CD2-CD1 4.39Å; F123-I126 HydrophobicContact CG-CD1 4.43Å; F123-I126 PolarHBondContact O-N 2.92Å; I126-N128 PolarHBondContact O-N 3.41Å; I126-L129 WeakPolarHBondContact O-CB 3.36Å; I126-L129 PolarHBondContact O-N 3.25Å; I126-I130 HydrophobicContact CG2-CD1 4.26Å; I126-I130 WeakPolarHBondContact O-CG1 3.28Å; I126-I130 PolarHBondContact O-N 2.86Å
127Y91.9Very high89.9Confident0 Ų055 Ų550%031%0.307CS..Hα-helixtrans-62.4-43.2176.6178.2-104.1000111.7F55 L68 K69 F123 H125 L129 I130 L131 V142F55-Y127 HydrophobicContact CD2-CD1 4.25Å; F55-Y127 HydrophobicContact CD2-CG 4.46Å; F55-Y127 HydrophobicContact CE2-CD1 4.02Å; F55-Y127 HydrophobicContact CE2-CD2 4.39Å; F55-Y127 AromaticContact CE2-CG 3.77Å; F55-Y127 HydrophobicContact CE2-CG 3.77Å; L68-Y127 HydrophobicContact CD2-CE2 4.38Å; L68-Y127 HydrophobicContact CG-CE2 4.39Å; K69-Y127 HydrophobicContact CB-CE2 3.76Å; K69-Y127 HydrophobicContact CD-CE1 3.95Å; K69-Y127 HydrophobicContact CG-CE1 4.2Å; K69-Y127 HydrophobicContact CG-CE2 4.2Å; F123-Y127 WeakPolarHBondContact O-CB 3.37Å; F123-Y127 PolarHBondContact O-N 3.37Å; H125-Y127 VanDerWaalsContact C-N 3.31Å; H125-Y127 PolarHBondContact O-N 2.9Å; Y127-L129 VanDerWaalsContact C-N 3.3Å; Y127-L129 PolarHBondContact O-N 2.82Å; Y127-I130 WeakPolarHBondContact O-CB 3.38Å; Y127-I130 PolarHBondContact O-N 3.15Å; Y127-I130 VanDerWaalsContact O-N 3.15Å; Y127-L131 HydrophobicContact CD1-CD1 3.94Å; Y127-L131 HydrophobicContact CD1-CG 4.31Å; Y127-L131 HydrophobicContact CE1-CD1 3.34Å; Y127-L131 HydrophobicContact CE1-CD2 4.36Å; Y127-L131 HydrophobicContact CE1-CG 3.87Å; Y127-L131 HydrophobicContact CE2-CD2 4.42Å; Y127-L131 HydrophobicContact CE2-CG 4.42Å; Y127-L131 WeakPolarHBondContact O-CG 3.49Å; Y127-L131 PolarHBondContact O-N 3.08Å; Y127-V142 HydrophobicContact CD1-CG2 3.92Å; Y127-V142 HydrophobicContact CE1-CG2 4.24Å
128N92.3Very high89.2Confident17 Ų1760 Ų609%0.09133%0.329CS..Hα-helixtrans-59.7-39.2173.1-77.8-7000112.7S124 H125 I126 I130 L131 L132 M141 V142S124-N128 PolarHBondContact O-N 3.31Å; H125-N128 WeakPolarHBondContact O-CB 3.5Å; H125-N128 PolarHBondContact O-N 2.94Å; I126-N128 PolarHBondContact O-N 3.41Å; N128-I130 VanDerWaalsContact C-N 3.33Å; N128-I130 PolarHBondContact O-N 3.26Å; N128-L131 PolarHBondContact O-N 3.03Å; N128-L132 WeakPolarHBondContact O-CB 3.41Å; N128-L132 WeakPolarHBondContact O-CG 3.39Å; N128-L132 PolarHBondContact O-N 2.91Å; N128-M141 HydrophobicContact CB-CE 4.05Å; N128-V142 PolarHBondContact ND2-O 3.42Å; N128-V142 WeakPolarHBondContact OD1-CB 3.41Å; N128-V142 PolarHBondContact OD1-N 2.9Å
129L91.1Very high88.6Confident96 Ų9661.3 Ų61.350%0.50334%0.342SS..Hα-helixtrans-62.4-41.4174.8-177.864.5000111.5H125 I126 Y127 L132 M133H125-L129 PolarHBondContact O-N 3.28Å; I126-L129 WeakPolarHBondContact O-CB 3.36Å; I126-L129 PolarHBondContact O-N 3.25Å; Y127-L129 VanDerWaalsContact C-N 3.3Å; Y127-L129 PolarHBondContact O-N 2.82Å; L129-L132 PolarHBondContact O-N 3Å; L129-M133 HydrophobicContact CD1-CE 4.16Å; L129-M133 HydrophobicContact CD2-CE 4.23Å; L129-M133 HydrophobicContact CG-CE 3.94Å; L129-M133 WeakPolarHBondContact O-CG 3.48Å; L129-M133 PolarHBondContact O-N 3.23Å
130I89.8Confident88Confident59 Ų5962 Ų6230%0.30335%0.346SS..Hα-helixtrans-64.1-41.4175.7-62.1165.1000110.9W65 L68 I126 Y127 N128 M133 A134W65-I130 HydrophobicContact CZ3-CG2 4.1Å; L68-I130 HydrophobicContact CD2-CG2 4.05Å; I126-I130 HydrophobicContact CG2-CD1 4.26Å; I126-I130 WeakPolarHBondContact O-CG1 3.28Å; I126-I130 PolarHBondContact O-N 2.86Å; Y127-I130 WeakPolarHBondContact O-CB 3.38Å; Y127-I130 PolarHBondContact O-N 3.15Å; Y127-I130 VanDerWaalsContact O-N 3.15Å; N128-I130 VanDerWaalsContact C-N 3.33Å; N128-I130 PolarHBondContact O-N 3.26Å; I130-M133 PolarHBondContact O-N 3.01Å; I130-A134 PolarHBondContact O-N 3.4Å
131L88.5Confident87.5Confident1 Ų163.2 Ų63.21%0.00535%0.351CS..Hα-helixtrans-64.6-40.2176.1-70.4-177.1000112.4W65 Y127 N128 M133 A134 G135 M137 M141W65-L131 HydrophobicContact CD2-CD2 4.23Å; W65-L131 HydrophobicContact CE3-CD2 3.53Å; W65-L131 HydrophobicContact CH2-CD2 4.27Å; W65-L131 HydrophobicContact CZ3-CD2 3.57Å; Y127-L131 HydrophobicContact CD1-CD1 3.94Å; Y127-L131 HydrophobicContact CD1-CG 4.31Å; Y127-L131 HydrophobicContact CE1-CD1 3.34Å; Y127-L131 HydrophobicContact CE1-CD2 4.36Å; Y127-L131 HydrophobicContact CE1-CG 3.87Å; Y127-L131 HydrophobicContact CE2-CD2 4.42Å; Y127-L131 HydrophobicContact CE2-CG 4.42Å; Y127-L131 WeakPolarHBondContact O-CG 3.49Å; Y127-L131 PolarHBondContact O-N 3.08Å; N128-L131 PolarHBondContact O-N 3.03Å; L131-M133 VanDerWaalsContact C-N 3.34Å; L131-A134 WeakPolarHBondContact O-CB 3.35Å; L131-A134 PolarHBondContact O-N 2.86Å; L131-A134 VanDerWaalsContact O-N 3.14Å; L131-G135 PolarHBondContact O-N 3.4Å; L131-M137 HydrophobicContact CB-CB 4.08Å; L131-M137 HydrophobicContact CD2-CB 3.85Å; L131-M137 HydrophobicContact CD2-CG 4.12Å; L131-M137 HydrophobicContact CG-CB 4.4Å; L131-M141 HydrophobicContact CD1-CG 4.47Å
132L88.4Confident87.2Confident99 Ų9961 Ų6152%0.51834%0.342SS..Hα-helixtrans-62.6-40.6175.9-78.5166.2000111.8N128 L129 A134 G135 M141N128-L132 WeakPolarHBondContact O-CB 3.41Å; N128-L132 WeakPolarHBondContact O-CG 3.39Å; N128-L132 PolarHBondContact O-N 2.91Å; L129-L132 PolarHBondContact O-N 3Å; L132-A134 PolarHBondContact O-N 3.32Å; L132-G135 PolarHBondContact O-N 3.22Å; L132-M141 HydrophobicContact CD1-CE 3.77Å; L132-M141 HydrophobicContact CD2-CE 4Å; L132-M141 HydrophobicContact CD2-SD 3.83Å; L132-M141 HydrophobicContact CG-CE 3.78Å; L132-M141 HydrophobicContact CG-SD 4.05Å
133M87.7Confident86.9Confident151 Ų15159.7 Ų59.774%0.74434%0.337SS*.Hα-helixtrans-62.2-25.6175.2-71.6177.8-179.500113L129 I130 L131L129-M133 HydrophobicContact CD1-CE 4.16Å; L129-M133 HydrophobicContact CD2-CE 4.23Å; L129-M133 HydrophobicContact CG-CE 3.94Å; L129-M133 WeakPolarHBondContact O-CG 3.48Å; L129-M133 PolarHBondContact O-N 3.23Å; I130-M133 PolarHBondContact O-N 3.01Å; L131-M133 VanDerWaalsContact C-N 3.34Å
134A84.7Confident86.5Confident44 Ų4461.2 Ų61.236%0.36435%0.345SS..THydrogen-bonded Turntrans-82.6-10.8176.500000113.9W65 I130 L131 L132 S136W65-A134 HydrophobicContact CH2-CB 3.64Å; W65-A134 HydrophobicContact CZ2-CB 3.78Å; I130-A134 PolarHBondContact O-N 3.4Å; L131-A134 WeakPolarHBondContact O-CB 3.35Å; L131-A134 PolarHBondContact O-N 2.86Å; L131-A134 VanDerWaalsContact O-N 3.14Å; L132-A134 PolarHBondContact O-N 3.32Å; A134-S136 PolarHBondContact O-N 3.42Å
135G73.9Confident86.2Confident68 Ų6866.7 Ų66.770%0.70137%0.366SS*.SBendtrans74.7-23.3168.100000117.6L131 L132L131-G135 PolarHBondContact O-N 3.4Å; L132-G135 PolarHBondContact O-N 3.22Å
136S75.9Confident85.8Confident88 Ų8862.7 Ų62.762%0.61535%0.348SS*.SBendtrans-113.49-173.7610000115.6A134A134-S136 PolarHBondContact O-N 3.42Å
137M79.6Confident85.3Confident34 Ų3461.5 Ų61.517%0.16735%0.354CS..  trans-113.716.3-166.1-65.3-66.9168.800115.1P61 L131 P139 H140 M141P61-M137 HydrophobicContact CB-SD 4.24Å; L131-M137 HydrophobicContact CB-CB 4.08Å; L131-M137 HydrophobicContact CD2-CB 3.85Å; L131-M137 HydrophobicContact CD2-CG 4.12Å; L131-M137 HydrophobicContact CG-CB 4.4Å; M137-P139 VanDerWaalsContact C-CD 3.44Å; M137-H140 PolarHBondContact O-N 2.87Å; M137-M141 PolarHBondContact O-N 3.35Å
138E78.1Confident85.2Confident157 Ų15763.9 Ų63.973%0.73437%0.366SS*.G310 helixtrans-51.5-43.1-178.5-167.6179.6-175.700114.3H140 M141E138-H140 PolarHBondContact O-N 3.06Å; E138-H140 VanDerWaalsContact O-N 3.1Å; E138-M141 HydrophobicContact CG-SD 4.24Å; E138-M141 WeakPolarHBondContact O-CB 3.28Å; E138-M141 WeakPolarHBondContact O-CG 3.27Å; E138-M141 PolarHBondContact O-N 3.07Å
139P80.4Confident85Confident102 Ų10269 Ų6966%0.66238%0.384SS*.G310 helixtrans-64-20.5178.9-22.534.8000114.4M137M137-P139 VanDerWaalsContact C-CD 3.44Å
140H83.4Confident84.9Confident62 Ų6264.8 Ų64.829%0.28736%0.362SS..G310 helixtrans-100.52.2-176.1-58.494.1000113.1P61 M137 E138 V142P61-H140 VanDerWaalsContact CA-CD2 3.47Å; P61-H140 WeakPolarHBondContact CA-CD2 3.47Å; P61-H140 HydrophobicContact CB-CB 4.02Å; P61-H140 HydrophobicContact CG-CB 4.33Å; M137-H140 PolarHBondContact O-N 2.87Å; E138-H140 PolarHBondContact O-N 3.06Å; E138-H140 VanDerWaalsContact O-N 3.1Å; H140-V142 PolarHBondContact O-N 3.14Å
141M86.9Confident84.8Confident39 Ų3963.5 Ų63.519%0.19236%0.355CS..  trans-60.9136176.3-71.5-179.467.900110.8K59 N128 L131 L132 M137 E138 T143K59-M141 WeakPolarHBondContact CD-O 3.42Å; K59-M141 WeakPolarHBondContact CE-O 3.43Å; K59-M141 PolarHBondContact NZ-O 2.76Å; N128-M141 HydrophobicContact CB-CE 4.05Å; L131-M141 HydrophobicContact CD1-CG 4.47Å; L132-M141 HydrophobicContact CD1-CE 3.77Å; L132-M141 HydrophobicContact CD2-CE 4Å; L132-M141 HydrophobicContact CD2-SD 3.83Å; L132-M141 HydrophobicContact CG-CE 3.78Å; L132-M141 HydrophobicContact CG-SD 4.05Å; M137-M141 PolarHBondContact O-N 3.35Å; E138-M141 HydrophobicContact CG-SD 4.24Å; E138-M141 WeakPolarHBondContact O-CB 3.28Å; E138-M141 WeakPolarHBondContact O-CG 3.27Å; E138-M141 PolarHBondContact O-N 3.07Å; M141-T143 PolarHBondContact O-N 3.25Å
142V87.6Confident84.8Confident4 Ų465.6 Ų65.62%0.02437%0.37CS..  trans-66.1131.7175.1-179.60000108.9N51 F55 Y127 N128 H140N51-V142 HydrophobicContact CB-CG1 4.27Å; N51-V142 VanDerWaalsContact O-CG1 3.23Å; N51-V142 WeakPolarHBondContact O-CG1 3.46Å; F55-V142 HydrophobicContact CB-CG1 3.99Å; F55-V142 HydrophobicContact CB-CG2 4.23Å; F55-V142 HydrophobicContact CD2-CG2 3.96Å; Y127-V142 HydrophobicContact CD1-CG2 3.92Å; Y127-V142 HydrophobicContact CE1-CG2 4.24Å; N128-V142 PolarHBondContact ND2-O 3.42Å; N128-V142 WeakPolarHBondContact OD1-CB 3.41Å; N128-V142 PolarHBondContact OD1-N 2.9Å; H140-V142 PolarHBondContact O-N 3.14Å
143T89.3Confident84.8Confident44 Ų4462.4 Ų62.427%0.2735%0.352SS..  trans-132.7169.9-178.556.40000110.4G50 S54 K59 M141 Y145G50-T143 CarbonylContact C-O 3.59Å; S54-T143 WeakPolarHBondContact CB-O 3.26Å; K59-T143 VanDerWaalsContact NZ-CG2 3.35Å; K59-T143 PolarHBondContact NZ-OG1 2.98Å; M141-T143 PolarHBondContact O-N 3.25Å; T143-Y145 PolarHBondContact O-N 3.43Å
144E86.7Confident84.8Confident63 Ų6355.6 Ų55.629%0.29432%0.318SS..SBendtrans-67-15.6174.6-64.9173.717400113.1H45 I46 G50 N51H45-E144 VanDerWaalsContact CD2-CB 3.48Å; H45-E144 WeakPolarHBondContact CD2-CB 3.48Å; H45-E144 IonicContact CD2-OE2 2.76Å; H45-E144 IonicContact CE1-OE2 2.75Å; H45-E144 PolarHBondContact CE1-OE2 3.44Å; H45-E144 WeakPolarHBondContact NE2-CB 3.3Å; H45-E144 IonicContact NE2-OE2 3.22Å; H45-E144 PolarHBondContact NE2-OE2 2.94Å; I46-E144 PolarHBondContact N-O 3.2Å; G50-E144 WeakPolarHBondContact CA-O 3.37Å; N51-E144 WeakPolarHBondContact OD1-CA 3.48Å; N51-E144 WeakPolarHBondContact OD1-CG 3.31Å; N51-E144 PolarHBondContact OD1-N 3.47Å; N51-E144 VanDerWaalsContact OD1-N 3.12Å
145Y86.6Confident84.9Confident114 Ų11455.1 Ų55.145%0.44731%0.308SS..EExtended strand (participates in β ladder)trans-75.8122.9173.7-64.1-78.4000112.5Q43 H45 T143 G147Q43-Y145 HydrophobicContact CB-CD1 4.3Å; Q43-Y145 HydrophobicContact CG-CD1 4.21Å; H45-Y145 HydrophobicContact CB-CD1 4.15Å; H45-Y145 HydrophobicContact CB-CE1 4.04Å; T143-Y145 PolarHBondContact O-N 3.43Å; Y145-G147 PolarHBondContact O-N 3.2Å
146M84.9Confident85.6Confident2 Ų257.3 Ų57.31%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-83.5-4.1-171.8-70.5-178.317200115.5A44 I46 V49 F53 N58 I148 F153A44-M146 HydrophobicContact CB-CB 4.36Å; A44-M146 HydrophobicContact CB-SD 4.29Å; A44-M146 PolarHBondContact O-N 2.69Å; I46-M146 HydrophobicContact CB-CE 3.76Å; I46-M146 HydrophobicContact CD1-CE 3.63Å; I46-M146 HydrophobicContact CD1-SD 4.27Å; I46-M146 HydrophobicContact CG1-CE 3.92Å; V49-M146 HydrophobicContact CB-CE 3.95Å; V49-M146 HydrophobicContact CG1-CE 3.65Å; F53-M146 HydrophobicContact CB-CG 4.38Å; F53-M146 HydrophobicContact CD1-CB 4.08Å; F53-M146 HydrophobicContact CD1-CG 4.34Å; F53-M146 WeakPolarHBondContact CD1-O 3.4Å; F53-M146 VanDerWaalsContact CE1-O 3.3Å; F53-M146 WeakPolarHBondContact CE1-O 3.49Å; F53-M146 HydrophobicContact CG-CG 4.49Å; N58-M146 PolarHBondContact ND2-O 2.85Å; M146-I148 HydrophobicContact CB-CD1 4.3Å; M146-I148 HydrophobicContact CB-CG1 3.79Å; M146-I148 PolarHBondContact O-N 2.91Å; M146-I148 VanDerWaalsContact O-N 3.16Å; M146-I148 HydrophobicContact SD-CD1 4.28Å; M146-F153 HydrophobicContact CE-CD2 4.5Å; M146-F153 HydrophobicContact CE-CE2 4.11Å; M146-F153 HydrophobicContact SD-CD2 3.7Å; M146-F153 HydrophobicContact SD-CE2 3.91Å; M146-F153 HydrophobicContact SD-CG 4.43Å
147G84.4Confident86.2Confident48 Ų4854 Ų5450%0.49528%0.281SS..EExtended strand (participates in β ladder)trans74.5-3.6-176.500000115.3Y145Y145-G147 PolarHBondContact O-N 3.2Å
148I88.8Confident86.5Confident49 Ų4953.2 Ų53.225%0.25128%0.279SS..EExtended strand (participates in β ladder)trans-113.4155.8178.562.6179.5000110.1A44 M146 F153A44-I148 HydrophobicContact CB-CG1 4.07Å; A44-I148 PolarHBondContact N-O 3.44Å; M146-I148 HydrophobicContact CB-CD1 4.3Å; M146-I148 HydrophobicContact CB-CG1 3.79Å; M146-I148 PolarHBondContact O-N 2.91Å; M146-I148 VanDerWaalsContact O-N 3.16Å; M146-I148 HydrophobicContact SD-CD1 4.28Å; I148-F153 HydrophobicContact CD1-CB 3.82Å; I148-F153 HydrophobicContact CD1-CD2 3.94Å; I148-F153 HydrophobicContact CD1-CG 4.37Å; I148-F153 HydrophobicContact CG1-CB 4.29Å
149R88.9Confident87Confident125 Ų12547.6 Ų47.647%0.47226%0.255SS..EExtended strand (participates in β ladder)trans-68.6145.8174.5-72.8-175.4-89.4-162.6-4.4110.9E151 S152 F153R149-E151 VanDerWaalsContact C-N 3.32Å; R149-E151 PolarHBondContact O-N 2.86Å; R149-S152 PolarHBondContact O-N 3.11Å; R149-F153 PolarHBondContact O-N 3.4Å
150T88.3Confident87.4Confident7 Ų744.3 Ų44.34%0.04324%0.24CC..Hα-helixtrans-58.6-44.6177.9-58.90000111.1I37 T42 A44 S152 F153 M154 Y331I37-T150 HydrophobicContact CG2-CG2 3.48Å; I37-T150 VanDerWaalsContact CG2-CG2 3.48Å; T42-T150 PolarHBondContact O-N 3.28Å; T42-T150 PolarHBondContact O-OG1 3.11Å; A44-T150 WeakPolarHBondContact CA-OG1 3.34Å; A44-T150 PolarHBondContact N-OG1 2.97Å; T150-S152 PolarHBondContact O-N 3.1Å; T150-F153 WeakPolarHBondContact O-CB 3.36Å; T150-F153 PolarHBondContact O-N 3.18Å; T150-F153 VanDerWaalsContact O-N 3.13Å; T150-M154 HydrophobicContact CG2-CG 4.13Å; T150-M154 WeakPolarHBondContact O-CB 3.37Å; T150-M154 VanDerWaalsContact O-CG 3.27Å; T150-M154 WeakPolarHBondContact O-CG 3.31Å; T150-M154 PolarHBondContact O-N 3.25Å; T150-Y331 HydrophobicContact CG2-CD1 4.36Å; T150-Y331 HydrophobicContact CG2-CE1 4.46Å
151E87.1Confident87.7Confident32 Ų3242.1 Ų42.115%0.1523%0.231CC..Hα-helixtrans-52.6-50.3174.1-174.4-151.7152.500112.6S38 S40 Q41 R149 F153 M154 K155S38-E151 VanDerWaalsContact O-CA 3.24Å; S38-E151 WeakPolarHBondContact O-CA 3.48Å; S38-E151 WeakPolarHBondContact O-CB 3.49Å; S38-E151 WeakPolarHBondContact O-CG 3.35Å; S40-E151 WeakPolarHBondContact O-CB 3.44Å; S40-E151 PolarHBondContact O-N 3.25Å; Q41-E151 PolarHBondContact NE2-OE2 3.25Å; R149-E151 VanDerWaalsContact C-N 3.32Å; R149-E151 PolarHBondContact O-N 2.86Å; E151-F153 VanDerWaalsContact C-N 3.34Å; E151-F153 PolarHBondContact O-N 3.06Å; E151-M154 PolarHBondContact O-N 3.48Å; E151-K155 WeakPolarHBondContact O-CG 3.37Å; E151-K155 PolarHBondContact O-N 3.41Å; E151-K155 WeakPolarHBondContact OE1-CE 3.39Å; E151-K155 IonicContact OE1-NZ 3.64Å; E151-K155 PolarHBondContact OE1-NZ 3.02Å
152S88.6Confident87.9Confident46 Ų4641.4 Ų41.432%0.32223%0.226SC..Hα-helixtrans-63.9-40.3178.8-52.30000112R149 T150 K155 I156R149-S152 PolarHBondContact O-N 3.11Å; T150-S152 PolarHBondContact O-N 3.1Å; S152-K155 PolarHBondContact O-N 3.1Å; S152-I156 WeakPolarHBondContact O-CG1 3.5Å; S152-I156 PolarHBondContact O-N 3.39Å; S152-I156 VanDerWaalsContact O-N 3.11Å
153F89.1Confident88Confident32 Ų3244.7 Ų44.714%0.1424%0.242CC..Hα-helixtrans-61.8-45.8175.1175.2-93.8000111.4A44 I46 M146 I148 R149 T150 E151 K155 I156 A157A44-F153 HydrophobicContact CB-CB 3.81Å; A44-F153 HydrophobicContact CB-CG 4.19Å; I46-F153 HydrophobicContact CD1-CD1 3.86Å; I46-F153 HydrophobicContact CD1-CD2 4.26Å; I46-F153 HydrophobicContact CD1-CE1 3.14Å; I46-F153 HydrophobicContact CD1-CE2 3.59Å; I46-F153 HydrophobicContact CD1-CG 4.39Å; I46-F153 HydrophobicContact CD1-CZ 2.98Å; I46-F153 HydrophobicContact CG1-CE1 4.39Å; I46-F153 HydrophobicContact CG1-CZ 4.45Å; M146-F153 HydrophobicContact CE-CD2 4.5Å; M146-F153 HydrophobicContact CE-CE2 4.11Å; M146-F153 HydrophobicContact SD-CD2 3.7Å; M146-F153 HydrophobicContact SD-CE2 3.91Å; M146-F153 HydrophobicContact SD-CG 4.43Å; I148-F153 HydrophobicContact CD1-CB 3.82Å; I148-F153 HydrophobicContact CD1-CD2 3.94Å; I148-F153 HydrophobicContact CD1-CG 4.37Å; I148-F153 HydrophobicContact CG1-CB 4.29Å; R149-F153 PolarHBondContact O-N 3.4Å; T150-F153 WeakPolarHBondContact O-CB 3.36Å; T150-F153 PolarHBondContact O-N 3.18Å; T150-F153 VanDerWaalsContact O-N 3.13Å; E151-F153 VanDerWaalsContact C-N 3.34Å; E151-F153 PolarHBondContact O-N 3.06Å; F153-K155 PolarHBondContact O-N 2.89Å; F153-I156 PolarHBondContact O-N 3.49Å; F153-A157 HydrophobicContact CE1-CB 4.09Å; F153-A157 HydrophobicContact CZ-CB 4.25Å; F153-A157 WeakPolarHBondContact O-CB 3.36Å; F153-A157 PolarHBondContact O-N 3Å
154M86.9Confident88Confident7 Ų742.8 Ų42.83%0.03423%0.232CC..Hα-helixtrans-65.1-38.1-179.5-68.4-59.7-68.700111.8F32 D35 I37 T150 E151 A157 A158 M319F32-M154 HydrophobicContact CE2-CB 4.46Å; D35-M154 WeakPolarHBondContact OD2-CE 3.35Å; I37-M154 HydrophobicContact CG2-CG 4.2Å; I37-M154 HydrophobicContact CG2-SD 4.3Å; T150-M154 HydrophobicContact CG2-CG 4.13Å; T150-M154 WeakPolarHBondContact O-CB 3.37Å; T150-M154 VanDerWaalsContact O-CG 3.27Å; T150-M154 WeakPolarHBondContact O-CG 3.31Å; T150-M154 PolarHBondContact O-N 3.25Å; E151-M154 PolarHBondContact O-N 3.48Å; M154-A157 PolarHBondContact O-N 3.46Å; M154-A158 VanDerWaalsContact O-CB 3.3Å; M154-A158 WeakPolarHBondContact O-CB 3.37Å; M154-A158 PolarHBondContact O-N 3.16Å; M154-M319 HydrophobicContact CE-CE 3.47Å; M154-M319 VanDerWaalsContact CE-CE 3.47Å; M154-M319 HydrophobicContact CE-SD 4.22Å
155K87.7Confident88.2Confident34 Ų3440 Ų4015%0.14822%0.219CC..Hα-helixtrans-61-44.2172-73.3176.6171.2173.90112F32 E151 S152 F153 A158 V159 I218 D221F32-K155 HydrophobicContact CZ-CG 4.44Å; E151-K155 WeakPolarHBondContact O-CG 3.37Å; E151-K155 PolarHBondContact O-N 3.41Å; E151-K155 WeakPolarHBondContact OE1-CE 3.39Å; E151-K155 IonicContact OE1-NZ 3.64Å; E151-K155 PolarHBondContact OE1-NZ 3.02Å; S152-K155 PolarHBondContact O-N 3.1Å; F153-K155 PolarHBondContact O-N 2.89Å; K155-A158 PolarHBondContact O-N 3.37Å; K155-V159 WeakPolarHBondContact O-CG2 3.4Å; K155-V159 PolarHBondContact O-N 3.31Å; K155-V159 VanDerWaalsContact O-N 3.07Å; K155-I218 HydrophobicContact CB-CG2 3.81Å; K155-I218 WeakPolarHBondContact CE-O 3.47Å; K155-I218 HydrophobicContact CG-CG2 3.79Å; K155-D221 WeakPolarHBondContact CE-OD1 3.47Å; K155-D221 IonicContact NZ-OD1 3.76Å; K155-D221 PolarHBondContact NZ-OD1 2.91Å; K155-D221 IonicContact NZ-OD2 3.36Å; K155-D221 PolarHBondContact NZ-OD2 3.29Å
156I88.1Confident88.4Confident114 Ų11435 Ų3559%0.58520%0.2SC*.Hα-helixtrans-64.2-44.2176-67.2165.6000110.7S152 F153 A158 V159 G160S152-I156 WeakPolarHBondContact O-CG1 3.5Å; S152-I156 PolarHBondContact O-N 3.39Å; S152-I156 VanDerWaalsContact O-N 3.11Å; F153-I156 PolarHBondContact O-N 3.49Å; I156-A158 VanDerWaalsContact C-N 3.34Å; I156-A158 PolarHBondContact O-N 3.06Å; I156-V159 PolarHBondContact O-N 2.84Å; I156-G160 PolarHBondContact O-N 3.1Å
157A88.2Confident88.5Confident20 Ų2035.9 Ų35.917%0.16521%0.205CC..Hα-helixtrans-62.5-40.6177.800000111.6F153 M154 G160 T161F153-A157 HydrophobicContact CE1-CB 4.09Å; F153-A157 HydrophobicContact CZ-CB 4.25Å; F153-A157 WeakPolarHBondContact O-CB 3.36Å; F153-A157 PolarHBondContact O-N 3Å; M154-A157 PolarHBondContact O-N 3.46Å; A157-G160 PolarHBondContact O-N 3.11Å; A157-T161 WeakPolarHBondContact O-CB 3.3Å; A157-T161 PolarHBondContact O-N 3.3Å; A157-T161 PolarHBondContact O-OG1 3.44Å
158A87.4Confident88.7Confident16 Ų1634 Ų3413%0.13218%0.184CC..Hα-helixtrans-64.7-43.317700000112.4F32 M154 K155 I156 G160 T161 W162 I218F32-A158 HydrophobicContact CD1-CB 4.37Å; F32-A158 HydrophobicContact CD2-CB 3.5Å; F32-A158 HydrophobicContact CE1-CB 4.35Å; F32-A158 HydrophobicContact CE2-CB 3.47Å; F32-A158 VanDerWaalsContact CE2-CB 3.47Å; F32-A158 HydrophobicContact CG-CB 3.97Å; F32-A158 HydrophobicContact CZ-CB 3.92Å; M154-A158 VanDerWaalsContact O-CB 3.3Å; M154-A158 WeakPolarHBondContact O-CB 3.37Å; M154-A158 PolarHBondContact O-N 3.16Å; K155-A158 PolarHBondContact O-N 3.37Å; I156-A158 VanDerWaalsContact C-N 3.34Å; I156-A158 PolarHBondContact O-N 3.06Å; A158-G160 VanDerWaalsContact C-N 3.33Å; A158-G160 PolarHBondContact O-N 3.39Å; A158-T161 PolarHBondContact O-N 2.62Å; A158-W162 WeakPolarHBondContact O-CB 3.25Å; A158-W162 PolarHBondContact O-N 3.25Å; A158-I218 HydrophobicContact CB-CD1 3.95Å
159V88.6Confident88.7Confident39 Ų3931.7 Ų31.724%0.23617%0.173CC..Hα-helixtrans-63.7-40173.8173.80000111.2K155 I156 M163 V215 I218K155-V159 WeakPolarHBondContact O-CG2 3.4Å; K155-V159 PolarHBondContact O-N 3.31Å; K155-V159 VanDerWaalsContact O-N 3.07Å; I156-V159 PolarHBondContact O-N 2.84Å; V159-M163 WeakPolarHBondContact O-CB 3.27Å; V159-M163 PolarHBondContact O-N 2.9Å; V159-V215 HydrophobicContact CG1-CG2 3.86Å; V159-V215 HydrophobicContact CG2-CG2 4.13Å; V159-I218 HydrophobicContact CG2-CB 4.49Å; V159-I218 HydrophobicContact CG2-CD1 3.95Å; V159-I218 HydrophobicContact CG2-CG2 4.29Å
160G88.4Confident88.7Confident34 Ų3426.7 Ų26.735%0.35115%0.153SC..Hα-helixtrans-63.7-43.9175.900000112.8I156 A157 A158 M163 G164I156-G160 PolarHBondContact O-N 3.1Å; A157-G160 PolarHBondContact O-N 3.11Å; A158-G160 VanDerWaalsContact C-N 3.33Å; A158-G160 PolarHBondContact O-N 3.39Å; G160-M163 PolarHBondContact O-N 2.71Å; G160-G164 PolarHBondContact O-N 3.41Å
161T89.3Confident88.6Confident16 Ų1626.7 Ų26.710%0.09815%0.153CC..Hα-helixtrans-65.1-46.6177.3-51.60000110.2N28 A157 A158 M163 G164 D165 V312N28-T161 HydrophobicContact CB-CG2 4.23Å; A157-T161 WeakPolarHBondContact O-CB 3.3Å; A157-T161 PolarHBondContact O-N 3.3Å; A157-T161 PolarHBondContact O-OG1 3.44Å; A158-T161 PolarHBondContact O-N 2.62Å; T161-M163 VanDerWaalsContact C-N 3.31Å; T161-M163 PolarHBondContact O-N 2.95Å; T161-G164 PolarHBondContact O-N 2.97Å; T161-G164 VanDerWaalsContact O-N 3.14Å; T161-D165 WeakPolarHBondContact O-CB 3.47Å; T161-D165 PolarHBondContact O-N 3.23Å; T161-V312 HydrophobicContact CG2-CG1 4.42Å
162W90.9Very high88.6Confident23 Ų2325.3 Ų25.39%0.08715%0.147CC..Hα-helixtrans-52.8-47.5171.5159.7-103.7000112.4T25 F29 A158 G164 D165 F166 L210 T211 V214T25-W162 HydrophobicContact CG2-CE3 3.85Å; T25-W162 HydrophobicContact CG2-CZ3 3.69Å; F29-W162 HydrophobicContact CE2-CD2 4.29Å; F29-W162 AromaticContact CE2-CE3 3.31Å; F29-W162 HydrophobicContact CE2-CE3 3.31Å; F29-W162 AromaticContact CE2-CZ3 3.64Å; F29-W162 HydrophobicContact CE2-CZ3 3.64Å; F29-W162 HydrophobicContact CZ-CB 4.22Å; F29-W162 AromaticContact CZ-CD2 3.91Å; F29-W162 HydrophobicContact CZ-CD2 3.91Å; F29-W162 AromaticContact CZ-CE3 3.37Å; F29-W162 HydrophobicContact CZ-CE3 3.37Å; F29-W162 HydrophobicContact CZ-CG 4.27Å; F29-W162 HydrophobicContact CZ-CZ3 4Å; A158-W162 WeakPolarHBondContact O-CB 3.25Å; A158-W162 PolarHBondContact O-N 3.25Å; W162-G164 VanDerWaalsContact C-N 3.33Å; W162-G164 PolarHBondContact O-N 2.89Å; W162-D165 PolarHBondContact O-N 3.44Å; W162-F166 HydrophobicContact CD2-CB 4.47Å; W162-F166 HydrophobicContact CH2-CB 4.46Å; W162-F166 AromaticContact CH2-CD2 3.85Å; W162-F166 HydrophobicContact CH2-CD2 3.85Å; W162-F166 HydrophobicContact CZ2-CB 4.19Å; W162-F166 AromaticContact CZ2-CD2 3.72Å; W162-F166 HydrophobicContact CZ2-CD2 3.72Å; W162-F166 HydrophobicContact CZ2-CG 4.22Å; W162-F166 WeakPolarHBondContact O-CB 3.44Å; W162-F166 PolarHBondContact O-N 3.29Å; W162-L210 HydrophobicContact CH2-CB 4Å; W162-L210 HydrophobicContact CH2-CD1 4.2Å; W162-L210 HydrophobicContact CZ2-CB 3.57Å; W162-L210 HydrophobicContact CZ2-CD1 4.46Å; W162-T211 PolarHBondContact NE1-OG1 3.38Å; W162-V214 HydrophobicContact CB-CG1 4.05Å; W162-V214 HydrophobicContact CD2-CB 4.28Å; W162-V214 HydrophobicContact CD2-CG1 4.11Å; W162-V214 HydrophobicContact CD2-CG2 3.79Å; W162-V214 HydrophobicContact CE3-CG2 4.16Å; W162-V214 HydrophobicContact CG-CB 4.23Å; W162-V214 HydrophobicContact CG-CG1 3.68Å; W162-V214 HydrophobicContact CG-CG2 4.25Å; W162-V214 HydrophobicContact CH2-CG2 4.25Å; W162-V214 HydrophobicContact CZ2-CG2 3.96Å; W162-V214 HydrophobicContact CZ3-CG2 4.35Å
163M89.6Confident88.6Confident73 Ų7323.9 Ų23.936%0.3614%0.136SC..Hα-helixtrans-61.8-44.2180-176.965.465.600111.1V159 G160 T161 V167 L207 T211V159-M163 WeakPolarHBondContact O-CB 3.27Å; V159-M163 PolarHBondContact O-N 2.9Å; G160-M163 PolarHBondContact O-N 2.71Å; T161-M163 VanDerWaalsContact C-N 3.31Å; T161-M163 PolarHBondContact O-N 2.95Å; M163-V167 WeakPolarHBondContact O-CB 3.44Å; M163-V167 VanDerWaalsContact O-CG2 3.26Å; M163-V167 WeakPolarHBondContact O-CG2 3.47Å; M163-V167 PolarHBondContact O-N 3.28Å; M163-L207 HydrophobicContact CE-CD1 4.36Å; M163-L207 HydrophobicContact SD-CD1 3.78Å; M163-T211 HydrophobicContact CE-CG2 3.78Å
164G89.1Confident88.4Confident5 Ų522.5 Ų22.55%0.05213%0.13CC..Hα-helixtrans-65.4-46.6178.200000112.9G160 T161 W162 V167 T168G160-G164 PolarHBondContact O-N 3.41Å; T161-G164 PolarHBondContact O-N 2.97Å; T161-G164 VanDerWaalsContact O-N 3.14Å; W162-G164 VanDerWaalsContact C-N 3.33Å; W162-G164 PolarHBondContact O-N 2.89Å; G164-V167 PolarHBondContact O-N 2.91Å; G164-T168 WeakPolarHBondContact O-CB 3.11Å; G164-T168 PolarHBondContact O-N 3.5Å; G164-T168 PolarHBondContact O-OG1 2.72Å
165D90.4Very high88.1Confident5 Ų522.8 Ų22.83%0.02713%0.132CC..Hα-helixtrans-61.9-45.2176.3-76.1-2.6000111.7T25 N28 T161 W162 V167 T168 A169 V312T25-D165 HydrophobicContact CG2-CB 4.09Å; N28-D165 WeakPolarHBondContact CB-OD2 3.33Å; N28-D165 PolarHBondContact ND2-OD2 3.25Å; T161-D165 WeakPolarHBondContact O-CB 3.47Å; T161-D165 PolarHBondContact O-N 3.23Å; W162-D165 PolarHBondContact O-N 3.44Å; D165-V167 PolarHBondContact O-N 2.84Å; D165-T168 PolarHBondContact O-N 3.31Å; D165-A169 WeakPolarHBondContact O-CB 3.36Å; D165-A169 PolarHBondContact O-N 2.86Å; D165-V312 WeakPolarHBondContact OD1-CG1 3.39Å
166F91.3Very high88Confident8 Ų821.3 Ų21.34%0.03513%0.125CC..Hα-helixtrans-58.8-51.2177.6176.3-87.5000110.6W162 T168 A169 W170 F203 V206 L207 L210W162-F166 HydrophobicContact CD2-CB 4.47Å; W162-F166 HydrophobicContact CH2-CB 4.46Å; W162-F166 AromaticContact CH2-CD2 3.85Å; W162-F166 HydrophobicContact CH2-CD2 3.85Å; W162-F166 HydrophobicContact CZ2-CB 4.19Å; W162-F166 AromaticContact CZ2-CD2 3.72Å; W162-F166 HydrophobicContact CZ2-CD2 3.72Å; W162-F166 HydrophobicContact CZ2-CG 4.22Å; W162-F166 WeakPolarHBondContact O-CB 3.44Å; W162-F166 PolarHBondContact O-N 3.29Å; F166-T168 VanDerWaalsContact C-N 3.27Å; F166-T168 PolarHBondContact O-N 3.06Å; F166-A169 PolarHBondContact O-N 3.48Å; F166-W170 AromaticContact CD2-CD1 3.91Å; F166-W170 HydrophobicContact CE1-CB 4.41Å; F166-W170 AromaticContact CE1-CD1 3.79Å; F166-W170 HydrophobicContact CE1-CG 4.07Å; F166-W170 AromaticContact CE2-CD1 3.31Å; F166-W170 HydrophobicContact CE2-CG 4.31Å; F166-W170 AromaticContact CE2-NE1 3.37Å; F166-W170 AromaticContact CZ-CD1 3.24Å; F166-W170 HydrophobicContact CZ-CD2 4.29Å; F166-W170 AromaticContact CZ-CE2 3.98Å; F166-W170 AromaticContact CZ-CG 3.86Å; F166-W170 HydrophobicContact CZ-CG 3.86Å; F166-W170 AromaticContact CZ-NE1 3.34Å; F166-W170 VanDerWaalsContact CZ-NE1 3.34Å; F166-W170 VanDerWaalsContact O-CB 3.31Å; F166-W170 WeakPolarHBondContact O-CB 3.31Å; F166-W170 PolarHBondContact O-N 3.4Å; F166-F203 HydrophobicContact CE1-CE2 4.26Å; F166-V206 HydrophobicContact CE2-CG1 3.89Å; F166-V206 HydrophobicContact CZ-CG1 4.03Å; F166-L207 HydrophobicContact CD1-CB 4.47Å; F166-L207 HydrophobicContact CD1-CD1 3.34Å; F166-L207 HydrophobicContact CD1-CG 4.43Å; F166-L207 HydrophobicContact CE1-CB 3.58Å; F166-L207 HydrophobicContact CE1-CD1 3.34Å; F166-L207 HydrophobicContact CE1-CG 3.97Å; F166-L207 HydrophobicContact CG-CD1 4.18Å; F166-L207 HydrophobicContact CZ-CB 3.82Å; F166-L207 HydrophobicContact CZ-CD1 4.17Å; F166-L210 HydrophobicContact CE2-CD1 4Å
167V87.9Confident87.8Confident20 Ų2016.5 Ų16.512%0.12110%0.101CC..Hα-helixtrans-61.8-39179.3171.50000110.6M163 G164 D165 M171 I308M163-V167 WeakPolarHBondContact O-CB 3.44Å; M163-V167 VanDerWaalsContact O-CG2 3.26Å; M163-V167 WeakPolarHBondContact O-CG2 3.47Å; M163-V167 PolarHBondContact O-N 3.28Å; G164-V167 PolarHBondContact O-N 2.91Å; D165-V167 PolarHBondContact O-N 2.84Å; V167-M171 WeakPolarHBondContact O-CB 3.33Å; V167-M171 PolarHBondContact O-N 3.01Å; V167-I308 HydrophobicContact CG1-CD1 3.81Å
168T87.4Confident87.5Confident8 Ų817.5 Ų17.55%0.04910%0.102CC..Hα-helixtrans-65.3-51.7177.7-60.40000111.8G164 D165 F166 W170 M171 V172 I254 I309G164-T168 WeakPolarHBondContact O-CB 3.11Å; G164-T168 PolarHBondContact O-N 3.5Å; G164-T168 PolarHBondContact O-OG1 2.72Å; D165-T168 PolarHBondContact O-N 3.31Å; F166-T168 VanDerWaalsContact C-N 3.27Å; F166-T168 PolarHBondContact O-N 3.06Å; T168-W170 VanDerWaalsContact C-N 3.34Å; T168-W170 PolarHBondContact O-N 2.97Å; T168-M171 WeakPolarHBondContact O-CB 3.33Å; T168-M171 PolarHBondContact O-N 3.11Å; T168-V172 WeakPolarHBondContact O-CG2 3.47Å; T168-V172 PolarHBondContact O-N 3.43Å; T168-I254 HydrophobicContact CG2-CD1 4.07Å; T168-I254 HydrophobicContact CG2-CG2 3.84Å; T168-I309 HydrophobicContact CG2-CD1 3.9Å; T168-I309 HydrophobicContact CG2-CG1 3.7Å; T168-I309 WeakPolarHBondContact OG1-CG1 3.26Å
169A90.3Very high87Confident2 Ų217.3 Ų17.32%0.01710%0.099CC..Hα-helixtrans-62-42178.300000111.6A21 Y22 D165 F166 V172 T173A21-A169 HydrophobicContact CB-CB 4.19Å; Y22-A169 HydrophobicContact CD1-CB 4.09Å; Y22-A169 HydrophobicContact CE1-CB 3.91Å; D165-A169 WeakPolarHBondContact O-CB 3.36Å; D165-A169 PolarHBondContact O-N 2.86Å; F166-A169 PolarHBondContact O-N 3.48Å; A169-V172 PolarHBondContact O-N 3.44Å; A169-T173 WeakPolarHBondContact O-CB 3.13Å; A169-T173 PolarHBondContact O-N 3.36Å; A169-T173 PolarHBondContact O-OG1 2.91Å; A169-T173 VanDerWaalsContact O-OG1 3.06Å
170W88.8Confident86.4Confident19 Ų1923.2 Ų23.27%0.07212%0.124CC..Hα-helixtrans-69.5-34.3175.7-100.582.8000113.5F166 T168 T173 D174 W193 L202 F203 V206F166-W170 AromaticContact CD2-CD1 3.91Å; F166-W170 HydrophobicContact CE1-CB 4.41Å; F166-W170 AromaticContact CE1-CD1 3.79Å; F166-W170 HydrophobicContact CE1-CG 4.07Å; F166-W170 AromaticContact CE2-CD1 3.31Å; F166-W170 HydrophobicContact CE2-CG 4.31Å; F166-W170 AromaticContact CE2-NE1 3.37Å; F166-W170 AromaticContact CZ-CD1 3.24Å; F166-W170 HydrophobicContact CZ-CD2 4.29Å; F166-W170 AromaticContact CZ-CE2 3.98Å; F166-W170 AromaticContact CZ-CG 3.86Å; F166-W170 HydrophobicContact CZ-CG 3.86Å; F166-W170 AromaticContact CZ-NE1 3.34Å; F166-W170 VanDerWaalsContact CZ-NE1 3.34Å; F166-W170 VanDerWaalsContact O-CB 3.31Å; F166-W170 WeakPolarHBondContact O-CB 3.31Å; F166-W170 PolarHBondContact O-N 3.4Å; T168-W170 VanDerWaalsContact C-N 3.34Å; T168-W170 PolarHBondContact O-N 2.97Å; W170-T173 PolarHBondContact O-N 2.88Å; W170-D174 WeakPolarHBondContact O-CB 3.19Å; W170-D174 PolarHBondContact O-N 3.49Å; W170-W193 AromaticContact CE3-CH2 3.73Å; W170-W193 HydrophobicContact CE3-CH2 3.73Å; W170-W193 AromaticContact CE3-CZ2 3.99Å; W170-W193 HydrophobicContact CE3-CZ2 3.99Å; W170-W193 AromaticContact CH2-CH2 3.46Å; W170-W193 HydrophobicContact CH2-CH2 3.46Å; W170-W193 VanDerWaalsContact CH2-CH2 3.46Å; W170-W193 HydrophobicContact CH2-CZ2 4.35Å; W170-W193 HydrophobicContact CH2-CZ3 4.11Å; W170-W193 HydrophobicContact CZ2-CH2 4.43Å; W170-W193 AromaticContact CZ3-CH2 3.05Å; W170-W193 HydrophobicContact CZ3-CH2 3.05Å; W170-W193 AromaticContact CZ3-CZ2 3.52Å; W170-W193 HydrophobicContact CZ3-CZ2 3.52Å; W170-W193 HydrophobicContact CZ3-CZ3 4.09Å; W170-L202 HydrophobicContact CH2-CB 4.1Å; W170-L202 HydrophobicContact CH2-CD2 3.82Å; W170-L202 HydrophobicContact CH2-CG 3.82Å; W170-L202 HydrophobicContact CZ2-CD2 4.46Å; W170-L202 HydrophobicContact CZ2-CG 4.43Å; W170-F203 HydrophobicContact CB-CD2 4.3Å; W170-F203 HydrophobicContact CB-CE2 4.08Å; W170-F203 AromaticContact CD2-CD2 4Å; W170-F203 HydrophobicContact CD2-CD2 4Å; W170-F203 HydrophobicContact CE3-CB 4.19Å; W170-F203 AromaticContact CE3-CD2 3.51Å; W170-F203 HydrophobicContact CE3-CD2 3.51Å; W170-F203 HydrophobicContact CE3-CE2 4.39Å; W170-F203 HydrophobicContact CE3-CG 4.33Å; W170-F203 HydrophobicContact CG-CD2 4.36Å; W170-F203 HydrophobicContact CG-CE2 4.49Å; W170-F203 HydrophobicContact CH2-CB 4.3Å; W170-F203 VanDerWaalsContact CZ3-CA 3.49Å; W170-F203 HydrophobicContact CZ3-CB 3.7Å; W170-F203 AromaticContact CZ3-CD2 3.94Å; W170-F203 HydrophobicContact CZ3-CD2 3.94Å; W170-F203 HydrophobicContact CZ3-CG 4.32Å; W170-V206 HydrophobicContact CZ2-CB 3.79Å; W170-V206 HydrophobicContact CZ2-CG1 3.87Å; W170-V206 HydrophobicContact CZ2-CG2 3.99Å
171M85.3Confident85.9Confident8 Ų827.1 Ų27.14%0.03913%0.133CC..Hα-helixtrans-61.4-47.5171.2177.6-160.863.600110.3V167 T168 T173 D174 M175 P273 N305 I309V167-M171 WeakPolarHBondContact O-CB 3.33Å; V167-M171 PolarHBondContact O-N 3.01Å; T168-M171 WeakPolarHBondContact O-CB 3.33Å; T168-M171 PolarHBondContact O-N 3.11Å; M171-T173 VanDerWaalsContact C-N 3.33Å; M171-T173 PolarHBondContact O-N 3.26Å; M171-D174 PolarHBondContact O-N 3.19Å; M171-M175 WeakPolarHBondContact O-CB 3.34Å; M171-M175 WeakPolarHBondContact O-CG 3.43Å; M171-M175 PolarHBondContact O-N 2.92Å; M171-P273 HydrophobicContact CB-CG 4.19Å; M171-P273 HydrophobicContact CG-CG 4.39Å; M171-N305 HydrophobicContact CG-CB 4.43Å; M171-N305 WeakPolarHBondContact CG-ND2 3.43Å; M171-N305 HydrophobicContact SD-CB 3.27Å; M171-N305 WeakPolarHBondContact SD-CB 3.49Å; M171-N305 PolarHBondContact SD-ND2 3.22Å; M171-I309 HydrophobicContact CE-CD1 3.8Å
172V86.9Confident85.5Confident2 Ų226.9 Ų26.91%0.01213%0.13CC..Hα-helixtrans-60.4-45.8177.6172.90000110.3R17 L18 A21 T168 A169 D174 M175 M176 I254R17-V172 HydrophobicContact CB-CG1 3.79Å; L18-V172 HydrophobicContact CD2-CG1 4.36Å; A21-V172 HydrophobicContact CB-CB 4.26Å; A21-V172 HydrophobicContact CB-CG1 4.36Å; A21-V172 HydrophobicContact CB-CG2 4.25Å; T168-V172 WeakPolarHBondContact O-CG2 3.47Å; T168-V172 PolarHBondContact O-N 3.43Å; A169-V172 PolarHBondContact O-N 3.44Å; V172-D174 VanDerWaalsContact C-N 3.33Å; V172-D174 PolarHBondContact O-N 3.15Å; V172-M175 WeakPolarHBondContact O-CB 3.4Å; V172-M175 PolarHBondContact O-N 2.96Å; V172-M176 HydrophobicContact CG1-CG 4.48Å; V172-M176 VanDerWaalsContact O-CG 3.3Å; V172-M176 WeakPolarHBondContact O-CG 3.47Å; V172-M176 PolarHBondContact O-N 3.47Å; V172-I254 HydrophobicContact CG2-CG2 4.2Å
173T89.1Confident85Confident17 Ų1729.7 Ų29.710%0.10415%0.151CC..Hα-helixtrans-58.2-45.4174.9-65.10000112.3L18 Y22 A169 W170 M171 M176 L177 W193L18-T173 HydrophobicContact CD2-CG2 4.49Å; L18-T173 WeakPolarHBondContact CD2-OG1 3.44Å; Y22-T173 WeakPolarHBondContact CE2-OG1 3.44Å; Y22-T173 PolarHBondContact OH-OG1 3.46Å; A169-T173 WeakPolarHBondContact O-CB 3.13Å; A169-T173 PolarHBondContact O-N 3.36Å; A169-T173 PolarHBondContact O-OG1 2.91Å; A169-T173 VanDerWaalsContact O-OG1 3.06Å; W170-T173 PolarHBondContact O-N 2.88Å; M171-T173 VanDerWaalsContact C-N 3.33Å; M171-T173 PolarHBondContact O-N 3.26Å; T173-M176 PolarHBondContact O-N 3.11Å; T173-L177 HydrophobicContact CG2-CD1 3.74Å; T173-L177 HydrophobicContact CG2-CG 4.4Å; T173-L177 WeakPolarHBondContact O-CB 3.5Å; T173-L177 VanDerWaalsContact O-CG 3.29Å; T173-L177 WeakPolarHBondContact O-CG 3.09Å; T173-L177 PolarHBondContact O-N 3.35Å; T173-W193 HydrophobicContact CG2-CH2 4.45Å
174D84.8Confident84.8Confident2 Ų232 Ų321%0.01117%0.165CC..Hα-helixtrans-65.4-41.6179.8-174.354000112.2W170 M171 V172 L177 Q178 W193 R199W170-D174 WeakPolarHBondContact O-CB 3.19Å; W170-D174 PolarHBondContact O-N 3.49Å; M171-D174 PolarHBondContact O-N 3.19Å; V172-D174 VanDerWaalsContact C-N 3.33Å; V172-D174 PolarHBondContact O-N 3.15Å; D174-L177 PolarHBondContact O-N 2.88Å; D174-Q178 WeakPolarHBondContact O-CB 3.34Å; D174-Q178 WeakPolarHBondContact O-CG 3.49Å; D174-Q178 PolarHBondContact O-N 3.16Å; D174-Q178 PolarHBondContact OD1-NE2 3.14Å; D174-Q178 PolarHBondContact OD2-NE2 2.96Å; D174-W193 HydrophobicContact CB-CZ2 4.39Å; D174-W193 PolarHBondContact OD1-NE1 2.98Å; D174-R199 VanDerWaalsContact CG-NE 3.34Å; D174-R199 WeakPolarHBondContact OD1-CD 3.47Å; D174-R199 IonicContact OD1-CZ 3.67Å; D174-R199 IonicContact OD1-NE 3.42Å; D174-R199 PolarHBondContact OD1-NE 3.39Å; D174-R199 IonicContact OD1-NH2 2.71Å; D174-R199 IonicContact OD2-CZ 3.37Å; D174-R199 IonicContact OD2-NE 3.55Å; D174-R199 PolarHBondContact OD2-NE 3.48Å; D174-R199 IonicContact OD2-NH2 2.62Å; D174-R199 PolarHBondContact OD2-NH2 3.48Å
175M80.6Confident84.7Confident14 Ų1433.3 Ų33.37%0.06917%0.169CC..Hα-helixtrans-56.7-51.9170.7-75.6-176.179.600111M171 V172 L177 Q178 D179 D258 M270M171-M175 WeakPolarHBondContact O-CB 3.34Å; M171-M175 WeakPolarHBondContact O-CG 3.43Å; M171-M175 PolarHBondContact O-N 2.92Å; V172-M175 WeakPolarHBondContact O-CB 3.4Å; V172-M175 PolarHBondContact O-N 2.96Å; M175-L177 VanDerWaalsContact C-N 3.3Å; M175-L177 PolarHBondContact O-N 3.47Å; M175-Q178 PolarHBondContact O-N 3.37Å; M175-D179 VanDerWaalsContact O-CB 3.25Å; M175-D179 WeakPolarHBondContact O-CB 3.09Å; M175-D179 PolarHBondContact O-N 3.05Å; M175-D258 WeakPolarHBondContact CE-OD2 3.47Å; M175-M270 VanDerWaalsContact CA-SD 3.52Å; M175-M270 HydrophobicContact CB-CE 4.07Å; M175-M270 HydrophobicContact CB-SD 3.93Å; M175-M270 HydrophobicContact CG-CE 3.16Å; M175-M270 HydrophobicContact CG-SD 3.41Å; M175-M270 WeakPolarHBondContact CG-SD 3.45Å
176M85.4Confident84.4Confident2 Ų234.6 Ų34.61%0.0118%0.182CC..Hα-helixtrans-64.6-35.1-177.2-66.9-51.692.500112.5P14 R17 V172 T173 W185 W259P14-M176 HydrophobicContact CB-CB 4.33Å; P14-M176 HydrophobicContact CB-CG 4.06Å; P14-M176 HydrophobicContact CB-SD 3.83Å; P14-M176 HydrophobicContact CG-SD 3.89Å; R17-M176 VanDerWaalsContact NH1-CE 3.33Å; V172-M176 HydrophobicContact CG1-CG 4.48Å; V172-M176 VanDerWaalsContact O-CG 3.3Å; V172-M176 WeakPolarHBondContact O-CG 3.47Å; V172-M176 PolarHBondContact O-N 3.47Å; T173-M176 PolarHBondContact O-N 3.11Å; M176-W185 HydrophobicContact CB-CH2 3.97Å; M176-W185 HydrophobicContact CB-CZ3 3.86Å; M176-W259 HydrophobicContact CE-CZ2 4.1Å; M176-W259 HydrophobicContact SD-CZ2 4.3Å
177L85.3Confident84.2Confident13 Ų1339.5 Ų39.57%0.06820%0.204CC..Hα-helixtrans-77.1-26.2179.5-69.7173000112.9T173 D174 M175 W185 A189 R190 W193 K194T173-L177 HydrophobicContact CG2-CD1 3.74Å; T173-L177 HydrophobicContact CG2-CG 4.4Å; T173-L177 WeakPolarHBondContact O-CB 3.5Å; T173-L177 VanDerWaalsContact O-CG 3.29Å; T173-L177 WeakPolarHBondContact O-CG 3.09Å; T173-L177 PolarHBondContact O-N 3.35Å; D174-L177 PolarHBondContact O-N 2.88Å; M175-L177 VanDerWaalsContact C-N 3.3Å; M175-L177 PolarHBondContact O-N 3.47Å; L177-W185 HydrophobicContact CD2-CH2 4.27Å; L177-W185 HydrophobicContact CD2-CZ3 4.07Å; L177-A189 HydrophobicContact CD2-CB 3.89Å; L177-R190 HydrophobicContact CB-CG 4.4Å; L177-R190 HydrophobicContact CD2-CG 3.77Å; L177-R190 WeakPolarHBondContact O-CD 3.44Å; L177-R190 VanDerWaalsContact O-CG 3.27Å; L177-R190 WeakPolarHBondContact O-CG 3.41Å; L177-W193 HydrophobicContact CB-CB 4.14Å; L177-W193 HydrophobicContact CB-CD2 4.22Å; L177-W193 HydrophobicContact CB-CG 3.77Å; L177-W193 HydrophobicContact CD1-CB 4.25Å; L177-W193 HydrophobicContact CD1-CD2 3.41Å; L177-W193 VanDerWaalsContact CD1-CD2 3.41Å; L177-W193 HydrophobicContact CD1-CE3 3.47Å; L177-W193 VanDerWaalsContact CD1-CE3 3.47Å; L177-W193 HydrophobicContact CD1-CG 3.78Å; L177-W193 HydrophobicContact CD1-CH2 3.91Å; L177-W193 HydrophobicContact CD1-CZ2 4.01Å; L177-W193 HydrophobicContact CD1-CZ3 3.68Å; L177-W193 HydrophobicContact CG-CD2 4.44Å; L177-W193 HydrophobicContact CG-CG 4.37Å; L177-K194 VanDerWaalsContact O-CE 3.24Å; L177-K194 WeakPolarHBondContact O-CE 3.33Å
178Q80.7Confident84.2Confident41 Ų4141.6 Ų41.619%0.19222%0.224CC..Hα-helixtrans-84.4-25.7174-71.6179.754.700113.2D174 M175 K194 R199 M270D174-Q178 WeakPolarHBondContact O-CB 3.34Å; D174-Q178 WeakPolarHBondContact O-CG 3.49Å; D174-Q178 PolarHBondContact O-N 3.16Å; D174-Q178 PolarHBondContact OD1-NE2 3.14Å; D174-Q178 PolarHBondContact OD2-NE2 2.96Å; M175-Q178 PolarHBondContact O-N 3.37Å; Q178-K194 WeakPolarHBondContact O-CE 3.37Å; Q178-K194 PolarHBondContact O-NZ 3.47Å; Q178-R199 VanDerWaalsContact NE2-NE 3.17Å; Q178-R199 VanDerWaalsContact NE2-NH1 3.12Å; Q178-M270 HydrophobicContact CB-CG 4.46Å
179D77.8Confident84.2Confident13 Ų1343.7 Ų43.77%0.0724%0.241CC..  trans-57.2151.3-173-176.649000115.3M175 H181 Y182 R190M175-D179 VanDerWaalsContact O-CB 3.25Å; M175-D179 WeakPolarHBondContact O-CB 3.09Å; M175-D179 PolarHBondContact O-N 3.05Å; D179-H181 VanDerWaalsContact CG-N 3.3Å; D179-H181 IonicContact OD1-CE1 2.86Å; D179-H181 IonicContact OD1-CG 3.9Å; D179-H181 PolarHBondContact OD1-N 3.33Å; D179-H181 IonicContact OD1-ND1 3.2Å; D179-H181 PolarHBondContact OD1-ND1 3.14Å; D179-H181 WeakPolarHBondContact OD2-CA 3.34Å; D179-H181 WeakPolarHBondContact OD2-CB 3.33Å; D179-H181 PolarHBondContact OD2-N 3.14Å; D179-H181 IonicContact OD2-ND1 2.75Å; D179-Y182 PolarHBondContact OD2-N 3.21Å; D179-R190 PolarHBondContact O-NH1 3.43Å
180Q75.1Confident84Confident163 Ų16344.7 Ų44.776%0.76225%0.245SC*.SBendtrans-112.4-13176.8-59.8-171.26.100113.6Y182Q180-Y182 VanDerWaalsContact C-N 3.29Å; Q180-Y182 PolarHBondContact O-N 3.34Å
181H77.4Confident83.9Confident116 Ų11652.6 Ų52.654%0.53728%0.275SS..SBendtrans-67.8-27.1-177.2-62.780.9000112.9D179 P183D179-H181 VanDerWaalsContact CG-N 3.3Å; D179-H181 IonicContact OD1-CE1 2.86Å; D179-H181 IonicContact OD1-CG 3.9Å; D179-H181 PolarHBondContact OD1-N 3.33Å; D179-H181 IonicContact OD1-ND1 3.2Å; D179-H181 PolarHBondContact OD1-ND1 3.14Å; D179-H181 WeakPolarHBondContact OD2-CA 3.34Å; D179-H181 WeakPolarHBondContact OD2-CB 3.33Å; D179-H181 PolarHBondContact OD2-N 3.14Å; D179-H181 IonicContact OD2-ND1 2.75Å; H181-P183 VanDerWaalsContact C-CD 3.5Å; H181-P183 WeakPolarHBondContact O-CD 3.47Å
182Y82.4Confident84.1Confident11 Ų1157.4 Ų57.44%0.04330%0.296CS..  trans-114.176.1177.2-64.2-98000111.1Y9 H13 P14 D179 Q180 D184 W185 R190 W259Y9-Y182 HydrophobicContact CD1-CE1 4.46Å; Y9-Y182 AromaticContact CD2-CE1 3.76Å; Y9-Y182 HydrophobicContact CD2-CE1 3.76Å; Y9-Y182 AromaticContact CD2-CZ 3.94Å; Y9-Y182 HydrophobicContact CE1-CE1 4.07Å; Y9-Y182 AromaticContact CE2-CD1 3.93Å; Y9-Y182 HydrophobicContact CE2-CD1 3.93Å; Y9-Y182 AromaticContact CE2-CE1 3.31Å; Y9-Y182 HydrophobicContact CE2-CE1 3.31Å; Y9-Y182 AromaticContact CE2-CZ 3.9Å; Y9-Y182 HydrophobicContact CG-CE1 4.31Å; Y9-Y182 AromaticContact CZ-CD1 3.95Å; Y9-Y182 AromaticContact CZ-CE1 3.48Å; Y9-Y182 VanDerWaalsContact CZ-CE1 3.48Å; Y9-Y182 PolarHBondContact O-OH 3.07Å; H13-Y182 AromaticContact CD2-CD1 3.87Å; H13-Y182 AromaticContact CD2-CE1 3.59Å; P14-Y182 HydrophobicContact CG-CD1 4.21Å; P14-Y182 HydrophobicContact CG-CD2 3.89Å; P14-Y182 HydrophobicContact CG-CG 3.73Å; D179-Y182 PolarHBondContact OD2-N 3.21Å; Q180-Y182 VanDerWaalsContact C-N 3.29Å; Q180-Y182 PolarHBondContact O-N 3.34Å; Y182-D184 PolarHBondContact O-N 2.93Å; Y182-W185 PolarHBondContact O-N 3.07Å; Y182-R190 VanDerWaalsContact O-CZ 3.27Å; Y182-R190 PolarHBondContact O-NH1 3.42Å; Y182-R190 PolarHBondContact O-NH2 3.33Å; Y182-W259 HydrophobicContact CD2-CH2 4.17Å; Y182-W259 HydrophobicContact CD2-CZ2 4.23Å; Y182-W259 AromaticContact CE2-CH2 3.17Å; Y182-W259 HydrophobicContact CE2-CH2 3.17Å; Y182-W259 AromaticContact CE2-CZ2 3.64Å; Y182-W259 HydrophobicContact CE2-CZ2 3.64Å; Y182-W259 HydrophobicContact CE2-CZ3 4.04Å; Y182-W259 AromaticContact CZ-CH2 3.76Å
183P79.6Confident84.2Confident81 Ų8158 Ų5853%0.52630%0.298SS..THydrogen-bonded Turntrans-65.2-22.3-174.127-35.7000113.3H181 K187 R190H181-P183 VanDerWaalsContact C-CD 3.5Å; H181-P183 WeakPolarHBondContact O-CD 3.47Å; P183-K187 WeakPolarHBondContact O-CE 3.48Å; P183-R190 PolarHBondContact O-NH2 3.44Å
184D84.6Confident83.9Confident121 Ų12162.6 Ų62.665%0.64732%0.316SS*.THydrogen-bonded Turntrans-89.3-17.9-179.4-69.1-51.1000115.2Y182 K187Y182-D184 PolarHBondContact O-N 2.93Å; D184-K187 VanDerWaalsContact CA-CE 3.49Å; D184-K187 VanDerWaalsContact OD1-CE 3.25Å; D184-K187 WeakPolarHBondContact OD1-CE 3.12Å; D184-K187 IonicContact OD1-NZ 2.74Å; D184-K187 PolarHBondContact OD1-NZ 3.39Å
185W87.3Confident84Confident34 Ų3471.5 Ų71.513%0.12935%0.35CS..THydrogen-bonded Turntrans-78.7135.2-175.2-178.784.3000112.3H13 P14 W15 L18 M176 L177 Y182 K187 R190H13-W185 AromaticContact CE1-CD1 3.97Å; P14-W185 HydrophobicContact CB-CD2 3.54Å; P14-W185 VanDerWaalsContact CB-CE2 3.43Å; P14-W185 HydrophobicContact CB-CE3 3.89Å; P14-W185 HydrophobicContact CB-CG 4.03Å; P14-W185 HydrophobicContact CB-CH2 4.06Å; P14-W185 HydrophobicContact CB-CZ2 3.73Å; P14-W185 HydrophobicContact CB-CZ3 4.13Å; P14-W185 HydrophobicContact CG-CD2 3.86Å; P14-W185 HydrophobicContact CG-CE3 4.09Å; P14-W185 HydrophobicContact CG-CG 4.03Å; W15-W185 AromaticContact CD1-CD1 3.95Å; W15-W185 AromaticContact CD1-NE1 3.66Å; W15-W185 AromaticContact CD2-NE1 3.64Å; W15-W185 AromaticContact CE2-CD1 3.99Å; W15-W185 AromaticContact CE2-NE1 3.24Å; W15-W185 AromaticContact CG-NE1 3.85Å; W15-W185 AromaticContact CZ2-NE1 3.74Å; W15-W185 AromaticContact NE1-CD1 3.52Å; W15-W185 AromaticContact NE1-NE1 3.22Å; L18-W185 HydrophobicContact CD1-CH2 3.81Å; L18-W185 HydrophobicContact CD1-CZ2 3.54Å; M176-W185 HydrophobicContact CB-CH2 3.97Å; M176-W185 HydrophobicContact CB-CZ3 3.86Å; L177-W185 HydrophobicContact CD2-CH2 4.27Å; L177-W185 HydrophobicContact CD2-CZ3 4.07Å; Y182-W185 PolarHBondContact O-N 3.07Å; W185-K187 VanDerWaalsContact C-N 3.34Å; W185-K187 PolarHBondContact O-N 2.95Å; W185-K187 VanDerWaalsContact O-N 3.08Å; W185-R190 PolarHBondContact O-NE 3.18Å; W185-R190 PolarHBondContact O-NH2 3.37Å
186G83.5Confident84.2Confident31 Ų3174 Ų7432%0.3238%0.378SS..THydrogen-bonded Turntrans56.632.6166.900000117A188 A189 R190G186-A188 VanDerWaalsContact C-N 3.28Å; G186-A188 PolarHBondContact O-N 3.29Å; G186-A188 VanDerWaalsContact O-N 3.14Å; G186-A189 PolarHBondContact O-N 3.34Å; G186-A189 VanDerWaalsContact O-N 3.14Å; G186-R190 WeakPolarHBondContact O-CG 3.29Å; G186-R190 PolarHBondContact O-N 2.97Å
187K87.4Confident84.2Confident111 Ų11179.3 Ų79.348%0.48341%0.407SS..Hα-helixtrans-52.1-39.2-173-64.3-177.4-174.21800114.3P183 D184 W185 R191P183-K187 WeakPolarHBondContact O-CE 3.48Å; D184-K187 VanDerWaalsContact CA-CE 3.49Å; D184-K187 VanDerWaalsContact OD1-CE 3.25Å; D184-K187 WeakPolarHBondContact OD1-CE 3.12Å; D184-K187 IonicContact OD1-NZ 2.74Å; D184-K187 PolarHBondContact OD1-NZ 3.39Å; W185-K187 VanDerWaalsContact C-N 3.34Å; W185-K187 PolarHBondContact O-N 2.95Å; W185-K187 VanDerWaalsContact O-N 3.08Å; K187-R191 WeakPolarHBondContact O-CB 3.43Å; K187-R191 WeakPolarHBondContact O-CG 3.38Å; K187-R191 PolarHBondContact O-N 3.12Å; K187-R191 PolarHBondContact O-NE 2.81Å
188A88.1Confident84.3Confident65 Ų6581.1 Ų81.154%0.53742%0.417SS..Hα-helixtrans-71-49.3178.500000111.9G186 R190 R191 F192G186-A188 VanDerWaalsContact C-N 3.28Å; G186-A188 PolarHBondContact O-N 3.29Å; G186-A188 VanDerWaalsContact O-N 3.14Å; A188-R190 VanDerWaalsContact C-N 3.33Å; A188-R190 PolarHBondContact O-N 3.06Å; A188-R191 PolarHBondContact O-N 2.95Å; A188-F192 PolarHBondContact O-N 3.47Å
189A86.9Confident84.4Confident51 Ų5180.2 Ų80.242%0.42141%0.412SS..Hα-helixtrans-59.4-42.5178.500000111.8L177 G186 F192 W193L177-A189 HydrophobicContact CD2-CB 3.89Å; G186-A189 PolarHBondContact O-N 3.34Å; G186-A189 VanDerWaalsContact O-N 3.14Å; A189-F192 PolarHBondContact O-N 3.3Å; A189-W193 WeakPolarHBondContact O-CB 3.4Å; A189-W193 PolarHBondContact O-N 3.44Å
190R87.3Confident84.8Confident24 Ų2482 Ų829%0.09142%0.421CS..Hα-helixtrans-66.3-41.1177.3-68.6-167.8-65.4178.1-3.2113.4L177 D179 Y182 P183 W185 G186 A188 F192 W193 K194L177-R190 HydrophobicContact CB-CG 4.4Å; L177-R190 HydrophobicContact CD2-CG 3.77Å; L177-R190 WeakPolarHBondContact O-CD 3.44Å; L177-R190 VanDerWaalsContact O-CG 3.27Å; L177-R190 WeakPolarHBondContact O-CG 3.41Å; D179-R190 PolarHBondContact O-NH1 3.43Å; Y182-R190 VanDerWaalsContact O-CZ 3.27Å; Y182-R190 PolarHBondContact O-NH1 3.42Å; Y182-R190 PolarHBondContact O-NH2 3.33Å; P183-R190 PolarHBondContact O-NH2 3.44Å; W185-R190 PolarHBondContact O-NE 3.18Å; W185-R190 PolarHBondContact O-NH2 3.37Å; G186-R190 WeakPolarHBondContact O-CG 3.29Å; G186-R190 PolarHBondContact O-N 2.97Å; A188-R190 VanDerWaalsContact C-N 3.33Å; A188-R190 PolarHBondContact O-N 3.06Å; R190-F192 VanDerWaalsContact C-N 3.29Å; R190-F192 PolarHBondContact O-N 2.83Å; R190-W193 PolarHBondContact O-N 3.28Å; R190-K194 WeakPolarHBondContact O-CB 3.34Å; R190-K194 WeakPolarHBondContact O-CG 3.37Å; R190-K194 PolarHBondContact O-N 2.9Å
191R87.3Confident85.4Confident185 Ų18578.4 Ų78.470%0.69841%0.409SS*.Hα-helixtrans-60.8-40.6173.8-80.1-174-68.2155.5-3.7111.5K187 A188 R195K187-R191 WeakPolarHBondContact O-CB 3.43Å; K187-R191 WeakPolarHBondContact O-CG 3.38Å; K187-R191 PolarHBondContact O-N 3.12Å; K187-R191 PolarHBondContact O-NE 2.81Å; A188-R191 PolarHBondContact O-N 2.95Å; R191-R195 WeakPolarHBondContact O-CB 3.45Å; R191-R195 PolarHBondContact O-N 3.43Å
192F89.3Confident86Confident109 Ų10975.8 Ų75.848%0.47840%0.399SS..Hα-helixtrans-67.2-43.7175.4174.5-97.9000112.2A188 A189 R190 R195 N198A188-F192 PolarHBondContact O-N 3.47Å; A189-F192 PolarHBondContact O-N 3.3Å; R190-F192 VanDerWaalsContact C-N 3.29Å; R190-F192 PolarHBondContact O-N 2.83Å; F192-R195 PolarHBondContact O-N 3.02Å; F192-N198 HydrophobicContact CE1-CB 4.35Å; F192-N198 WeakPolarHBondContact CE2-ND2 3.39Å; F192-N198 HydrophobicContact CZ-CB 4.26Å; F192-N198 PolarHBondContact O-ND2 3.34Å
193W88.1Confident86.3Confident15 Ų1575.9 Ų75.96%0.05740%0.4CS..Hα-helixtrans-64.9-43.9-177.6-161.5-104.4000113.3W170 T173 D174 L177 A189 R190 R195 R199 L202W170-W193 AromaticContact CE3-CH2 3.73Å; W170-W193 HydrophobicContact CE3-CH2 3.73Å; W170-W193 AromaticContact CE3-CZ2 3.99Å; W170-W193 HydrophobicContact CE3-CZ2 3.99Å; W170-W193 AromaticContact CH2-CH2 3.46Å; W170-W193 HydrophobicContact CH2-CH2 3.46Å; W170-W193 VanDerWaalsContact CH2-CH2 3.46Å; W170-W193 HydrophobicContact CH2-CZ2 4.35Å; W170-W193 HydrophobicContact CH2-CZ3 4.11Å; W170-W193 HydrophobicContact CZ2-CH2 4.43Å; W170-W193 AromaticContact CZ3-CH2 3.05Å; W170-W193 HydrophobicContact CZ3-CH2 3.05Å; W170-W193 AromaticContact CZ3-CZ2 3.52Å; W170-W193 HydrophobicContact CZ3-CZ2 3.52Å; W170-W193 HydrophobicContact CZ3-CZ3 4.09Å; T173-W193 HydrophobicContact CG2-CH2 4.45Å; D174-W193 HydrophobicContact CB-CZ2 4.39Å; D174-W193 PolarHBondContact OD1-NE1 2.98Å; L177-W193 HydrophobicContact CB-CB 4.14Å; L177-W193 HydrophobicContact CB-CD2 4.22Å; L177-W193 HydrophobicContact CB-CG 3.77Å; L177-W193 HydrophobicContact CD1-CB 4.25Å; L177-W193 HydrophobicContact CD1-CD2 3.41Å; L177-W193 VanDerWaalsContact CD1-CD2 3.41Å; L177-W193 HydrophobicContact CD1-CE3 3.47Å; L177-W193 VanDerWaalsContact CD1-CE3 3.47Å; L177-W193 HydrophobicContact CD1-CG 3.78Å; L177-W193 HydrophobicContact CD1-CH2 3.91Å; L177-W193 HydrophobicContact CD1-CZ2 4.01Å; L177-W193 HydrophobicContact CD1-CZ3 3.68Å; L177-W193 HydrophobicContact CG-CD2 4.44Å; L177-W193 HydrophobicContact CG-CG 4.37Å; A189-W193 WeakPolarHBondContact O-CB 3.4Å; A189-W193 PolarHBondContact O-N 3.44Å; R190-W193 PolarHBondContact O-N 3.28Å; W193-R195 PolarHBondContact O-N 3.27Å; W193-R199 HydrophobicContact CD2-CB 4.38Å; W193-R199 HydrophobicContact CZ2-CG 4.14Å; W193-L202 HydrophobicContact CE3-CD2 4.26Å; W193-L202 HydrophobicContact CH2-CD2 4.23Å; W193-L202 HydrophobicContact CZ3-CD2 3.49Å; W193-L202 VanDerWaalsContact CZ3-CD2 3.49Å
194K83.6Confident86.8Confident113 Ų11377.5 Ų77.549%0.49140%0.395SS..THydrogen-bonded Turntrans-76.4-6.2180-66.2-179.1177.8-174.90113L177 Q178 R190L177-K194 VanDerWaalsContact O-CE 3.24Å; L177-K194 WeakPolarHBondContact O-CE 3.33Å; Q178-K194 WeakPolarHBondContact O-CE 3.37Å; Q178-K194 PolarHBondContact O-NZ 3.47Å; R190-K194 WeakPolarHBondContact O-CB 3.34Å; R190-K194 WeakPolarHBondContact O-CG 3.37Å; R190-K194 PolarHBondContact O-N 2.9Å
195R87.3Confident87.1Confident189 Ų18975.7 Ų75.771%0.71339%0.389SS*.SBendtrans-86.6116-177-174.6175.4-176.4178.20.7111R191 F192 W193 N197 N198R191-R195 WeakPolarHBondContact O-CB 3.45Å; R191-R195 PolarHBondContact O-N 3.43Å; F192-R195 PolarHBondContact O-N 3.02Å; W193-R195 PolarHBondContact O-N 3.27Å; R195-N197 PolarHBondContact O-N 2.95Å; R195-N198 WeakPolarHBondContact O-CB 3.5Å; R195-N198 PolarHBondContact O-N 3.4Å; R195-N198 PolarHBondContact O-ND2 2.85Å
196G83.4Confident87.4Confident65 Ų6575.6 Ų75.667%0.6739%0.392SS*.THydrogen-bonded Turntrans55.9-136.2173.800000112.4
197N85.3Confident87.7Confident115 Ų11575 Ų7562%0.61538%0.381SS*.THydrogen-bonded Turntrans-97.514.4-177.8-65.6-3.8000113.4R195 R199 I200 V201R195-N197 PolarHBondContact O-N 2.95Å; N197-R199 PolarHBondContact O-N 3.14Å; N197-I200 PolarHBondContact O-N 2.85Å; N197-I200 VanDerWaalsContact O-N 3.08Å; N197-V201 PolarHBondContact O-N 3.48Å
198N87.6Confident87.9Confident51 Ų5174.6 Ų74.627%0.27338%0.384SS..Hα-helixtrans-54.3-41.8-175.8-70.4-8.4000112.2F192 R195 I200 L202F192-N198 HydrophobicContact CE1-CB 4.35Å; F192-N198 WeakPolarHBondContact CE2-ND2 3.39Å; F192-N198 HydrophobicContact CZ-CB 4.26Å; F192-N198 PolarHBondContact O-ND2 3.34Å; R195-N198 WeakPolarHBondContact O-CB 3.5Å; R195-N198 PolarHBondContact O-N 3.4Å; R195-N198 PolarHBondContact O-ND2 2.85Å; N198-I200 PolarHBondContact O-N 2.95Å; N198-L202 WeakPolarHBondContact O-CB 3.39Å; N198-L202 PolarHBondContact O-N 3.45Å
199R84.4Confident88.1Confident22 Ų2274.3 Ų74.38%0.08338%0.377CS..Hα-helixtrans-54.8-51.4175.6173.3-176.8173.7-150.2-8.4112.8D174 Q178 W193 N197 F203 N271 L272D174-R199 VanDerWaalsContact CG-NE 3.34Å; D174-R199 WeakPolarHBondContact OD1-CD 3.47Å; D174-R199 IonicContact OD1-CZ 3.67Å; D174-R199 IonicContact OD1-NE 3.42Å; D174-R199 PolarHBondContact OD1-NE 3.39Å; D174-R199 IonicContact OD1-NH2 2.71Å; D174-R199 IonicContact OD2-CZ 3.37Å; D174-R199 IonicContact OD2-NE 3.55Å; D174-R199 PolarHBondContact OD2-NE 3.48Å; D174-R199 IonicContact OD2-NH2 2.62Å; D174-R199 PolarHBondContact OD2-NH2 3.48Å; Q178-R199 VanDerWaalsContact NE2-NE 3.17Å; Q178-R199 VanDerWaalsContact NE2-NH1 3.12Å; W193-R199 HydrophobicContact CD2-CB 4.38Å; W193-R199 HydrophobicContact CZ2-CG 4.14Å; N197-R199 PolarHBondContact O-N 3.14Å; R199-F203 VanDerWaalsContact O-CB 3.3Å; R199-F203 WeakPolarHBondContact O-CB 3.43Å; R199-F203 PolarHBondContact O-N 3.01Å; R199-N271 PolarHBondContact NH2-O 3.15Å; R199-L272 PolarHBondContact NH2-O 3.43Å
200I85.7Confident88.3Confident51 Ų5175.3 Ų75.326%0.26238%0.375SS..Hα-helixtrans-69.1-47.2-174.9-63173.4000109.7N197 N198 L202 F203 W204N197-I200 PolarHBondContact O-N 2.85Å; N197-I200 VanDerWaalsContact O-N 3.08Å; N198-I200 PolarHBondContact O-N 2.95Å; I200-L202 PolarHBondContact O-N 2.92Å; I200-F203 PolarHBondContact O-N 3.12Å; I200-W204 PolarHBondContact O-N 3.42Å; I200-W204 VanDerWaalsContact O-N 3.11Å
201V87.9Confident88.5Confident86 Ų8675.2 Ų75.252%0.52138%0.377SS..Hα-helixtrans-60.5-49.2179.6176.30000110.2N197 F203 W204 T205N197-V201 PolarHBondContact O-N 3.48Å; V201-F203 PolarHBondContact O-N 2.78Å; V201-W204 PolarHBondContact O-N 2.77Å; V201-T205 WeakPolarHBondContact O-CB 3.33Å; V201-T205 PolarHBondContact O-N 3.24Å; V201-T205 PolarHBondContact O-OG1 2.87Å
202L89.5Confident88.7Confident62 Ų6269.8 Ų69.833%0.32537%0.368SS..Hα-helixtrans-64.5-41.1-178.6-163.776.4000111.8W170 W193 N198 I200 V206W170-L202 HydrophobicContact CH2-CB 4.1Å; W170-L202 HydrophobicContact CH2-CD2 3.82Å; W170-L202 HydrophobicContact CH2-CG 3.82Å; W170-L202 HydrophobicContact CZ2-CD2 4.46Å; W170-L202 HydrophobicContact CZ2-CG 4.43Å; W193-L202 HydrophobicContact CE3-CD2 4.26Å; W193-L202 HydrophobicContact CH2-CD2 4.23Å; W193-L202 HydrophobicContact CZ3-CD2 3.49Å; W193-L202 VanDerWaalsContact CZ3-CD2 3.49Å; N198-L202 WeakPolarHBondContact O-CB 3.39Å; N198-L202 PolarHBondContact O-N 3.45Å; I200-L202 PolarHBondContact O-N 2.92Å; L202-V206 HydrophobicContact CD1-CG2 4.21Å; L202-V206 HydrophobicContact CG-CG2 4.09Å; L202-V206 VanDerWaalsContact O-CB 3.22Å; L202-V206 WeakPolarHBondContact O-CB 3.2Å; L202-V206 WeakPolarHBondContact O-CG2 3.1Å; L202-V206 PolarHBondContact O-N 3.39Å
203F88.6Confident88.7Confident12 Ų1268.6 Ų68.65%0.05337%0.369CS..Hα-helixtrans-56-54.1176178.5-90.9000111.2F166 W170 R199 I200 V201 L207 P273 G274F166-F203 HydrophobicContact CE1-CE2 4.26Å; W170-F203 HydrophobicContact CB-CD2 4.3Å; W170-F203 HydrophobicContact CB-CE2 4.08Å; W170-F203 AromaticContact CD2-CD2 4Å; W170-F203 HydrophobicContact CD2-CD2 4Å; W170-F203 HydrophobicContact CE3-CB 4.19Å; W170-F203 AromaticContact CE3-CD2 3.51Å; W170-F203 HydrophobicContact CE3-CD2 3.51Å; W170-F203 HydrophobicContact CE3-CE2 4.39Å; W170-F203 HydrophobicContact CE3-CG 4.33Å; W170-F203 HydrophobicContact CG-CD2 4.36Å; W170-F203 HydrophobicContact CG-CE2 4.49Å; W170-F203 HydrophobicContact CH2-CB 4.3Å; W170-F203 VanDerWaalsContact CZ3-CA 3.49Å; W170-F203 HydrophobicContact CZ3-CB 3.7Å; W170-F203 AromaticContact CZ3-CD2 3.94Å; W170-F203 HydrophobicContact CZ3-CD2 3.94Å; W170-F203 HydrophobicContact CZ3-CG 4.32Å; R199-F203 VanDerWaalsContact O-CB 3.3Å; R199-F203 WeakPolarHBondContact O-CB 3.43Å; R199-F203 PolarHBondContact O-N 3.01Å; I200-F203 PolarHBondContact O-N 3.12Å; V201-F203 PolarHBondContact O-N 2.78Å; F203-L207 HydrophobicContact CE1-CD2 3.83Å; F203-L207 HydrophobicContact CZ-CD2 4.21Å; F203-L207 WeakPolarHBondContact O-CB 3.49Å; F203-L207 PolarHBondContact O-N 3.22Å; F203-P273 HydrophobicContact CD2-CB 4.21Å; F203-P273 HydrophobicContact CE2-CB 3.68Å; F203-P273 HydrophobicContact CZ-CB 4.04Å; F203-G274 VanDerWaalsContact CD1-CA 3.49Å
204W89.6Confident88.7Confident115 Ų11568.6 Ų68.644%0.43637%0.371SS..Hα-helixtrans-69.6-40.1-176.8-72.9110.8000112.8I200 V201 L207 I208 G274I200-W204 PolarHBondContact O-N 3.42Å; I200-W204 VanDerWaalsContact O-N 3.11Å; V201-W204 PolarHBondContact O-N 2.77Å; W204-L207 HydrophobicContact CE3-CD2 3.89Å; W204-L207 HydrophobicContact CZ3-CD2 3.76Å; W204-I208 WeakPolarHBondContact O-CB 3.44Å; W204-I208 VanDerWaalsContact O-CG1 3.24Å; W204-I208 WeakPolarHBondContact O-CG1 3.35Å; W204-I208 PolarHBondContact O-N 2.91Å; W204-G274 PolarHBondContact NE1-O 2.99Å
205T92.1Very high89Confident83 Ų8366 Ų6651%0.50937%0.365SS..Hα-helixtrans-62.9-45.4176.8-60.10000111.3V201 S209V201-T205 WeakPolarHBondContact O-CB 3.33Å; V201-T205 PolarHBondContact O-N 3.24Å; V201-T205 PolarHBondContact O-OG1 2.87Å; T205-S209 VanDerWaalsContact O-CB 3.26Å; T205-S209 WeakPolarHBondContact O-CB 2.93Å; T205-S209 PolarHBondContact O-N 3.43Å; T205-S209 PolarHBondContact O-OG 2.72Å
206V91.9Very high88.9Confident33 Ų3360.8 Ų60.820%0.235%0.35CS..Hα-helixtrans-70.8-41.8179.9175.10000111F166 W170 L202 S209 L210F166-V206 HydrophobicContact CE2-CG1 3.89Å; F166-V206 HydrophobicContact CZ-CG1 4.03Å; W170-V206 HydrophobicContact CZ2-CB 3.79Å; W170-V206 HydrophobicContact CZ2-CG1 3.87Å; W170-V206 HydrophobicContact CZ2-CG2 3.99Å; L202-V206 HydrophobicContact CD1-CG2 4.21Å; L202-V206 HydrophobicContact CG-CG2 4.09Å; L202-V206 VanDerWaalsContact O-CB 3.22Å; L202-V206 WeakPolarHBondContact O-CB 3.2Å; L202-V206 WeakPolarHBondContact O-CG2 3.1Å; L202-V206 PolarHBondContact O-N 3.39Å; V206-S209 WeakPolarHBondContact CA-OG 3.45Å; V206-S209 PolarHBondContact O-OG 3.4Å; V206-L210 HydrophobicContact CG1-CD1 3.46Å; V206-L210 VanDerWaalsContact CG1-CD1 3.46Å; V206-L210 HydrophobicContact CG1-CG 4.13Å; V206-L210 VanDerWaalsContact O-CB 3.31Å; V206-L210 WeakPolarHBondContact O-CB 3.33Å; V206-L210 WeakPolarHBondContact O-CG 3.49Å; V206-L210 PolarHBondContact O-N 2.94Å
207L90.3Very high89Confident18 Ų1858.9 Ų58.99%0.09433%0.326CS..Hα-helixtrans-59.1-52.2176.8175.162.4000111.3M163 F166 F203 W204 T211M163-L207 HydrophobicContact CE-CD1 4.36Å; M163-L207 HydrophobicContact SD-CD1 3.78Å; F166-L207 HydrophobicContact CD1-CB 4.47Å; F166-L207 HydrophobicContact CD1-CD1 3.34Å; F166-L207 HydrophobicContact CD1-CG 4.43Å; F166-L207 HydrophobicContact CE1-CB 3.58Å; F166-L207 HydrophobicContact CE1-CD1 3.34Å; F166-L207 HydrophobicContact CE1-CG 3.97Å; F166-L207 HydrophobicContact CG-CD1 4.18Å; F166-L207 HydrophobicContact CZ-CB 3.82Å; F166-L207 HydrophobicContact CZ-CD1 4.17Å; F203-L207 HydrophobicContact CE1-CD2 3.83Å; F203-L207 HydrophobicContact CZ-CD2 4.21Å; F203-L207 WeakPolarHBondContact O-CB 3.49Å; F203-L207 PolarHBondContact O-N 3.22Å; W204-L207 HydrophobicContact CE3-CD2 3.89Å; W204-L207 HydrophobicContact CZ3-CD2 3.76Å; L207-T211 WeakPolarHBondContact O-CB 3.44Å; L207-T211 PolarHBondContact O-N 2.82Å; L207-T211 PolarHBondContact O-OG1 3.35Å
208I91.9Very high88.9Confident103 Ų10353.7 Ų53.753%0.52830%0.298SS..Hα-helixtrans-66.1-45.4-177.2-67.2168.3000110.5W204 S212W204-I208 WeakPolarHBondContact O-CB 3.44Å; W204-I208 VanDerWaalsContact O-CG1 3.24Å; W204-I208 WeakPolarHBondContact O-CG1 3.35Å; W204-I208 PolarHBondContact O-N 2.91Å; I208-S212 VanDerWaalsContact O-CB 3.29Å; I208-S212 WeakPolarHBondContact O-CB 3.43Å; I208-S212 PolarHBondContact O-N 3.3Å; I208-S212 PolarHBondContact O-OG 2.82Å
209S93.4Very high88.4Confident58 Ų5855.2 Ų55.241%0.40631%0.312SS..Hα-helixtrans-65.2-52-178.9570000112.4T205 V206 S212 V213T205-S209 VanDerWaalsContact O-CB 3.26Å; T205-S209 WeakPolarHBondContact O-CB 2.93Å; T205-S209 PolarHBondContact O-N 3.43Å; T205-S209 PolarHBondContact O-OG 2.72Å; V206-S209 WeakPolarHBondContact CA-OG 3.45Å; V206-S209 PolarHBondContact O-OG 3.4Å; S209-S212 PolarHBondContact O-N 3.09Å; S209-V213 WeakPolarHBondContact O-CG2 3.35Å; S209-V213 PolarHBondContact O-N 2.87Å; S209-V213 VanDerWaalsContact O-N 3.07Å
210L91Very high87.8Confident73 Ų7358.2 Ų58.238%0.38233%0.333SS..Hα-helixtrans-67.4-40.1-179.6-69.7175.1000111.9W162 F166 V206 S212 V213 V214W162-L210 HydrophobicContact CH2-CB 4Å; W162-L210 HydrophobicContact CH2-CD1 4.2Å; W162-L210 HydrophobicContact CZ2-CB 3.57Å; W162-L210 HydrophobicContact CZ2-CD1 4.46Å; F166-L210 HydrophobicContact CE2-CD1 4Å; V206-L210 HydrophobicContact CG1-CD1 3.46Å; V206-L210 VanDerWaalsContact CG1-CD1 3.46Å; V206-L210 HydrophobicContact CG1-CG 4.13Å; V206-L210 VanDerWaalsContact O-CB 3.31Å; V206-L210 WeakPolarHBondContact O-CB 3.33Å; V206-L210 WeakPolarHBondContact O-CG 3.49Å; V206-L210 PolarHBondContact O-N 2.94Å; L210-S212 VanDerWaalsContact C-N 3.29Å; L210-S212 PolarHBondContact O-N 2.92Å; L210-V213 PolarHBondContact O-N 2.77Å; L210-V214 WeakPolarHBondContact O-CG2 3.36Å; L210-V214 PolarHBondContact O-N 3.48Å
211T91.6Very high86.8Confident21 Ų2159.7 Ų59.713%0.12934%0.342CS..Hα-helixtrans-62.7-38.6175.6-57.50000111.3W162 M163 L207 V213 V214 V215W162-T211 PolarHBondContact NE1-OG1 3.38Å; M163-T211 HydrophobicContact CE-CG2 3.78Å; L207-T211 WeakPolarHBondContact O-CB 3.44Å; L207-T211 PolarHBondContact O-N 2.82Å; L207-T211 PolarHBondContact O-OG1 3.35Å; T211-V213 VanDerWaalsContact C-N 3.34Å; T211-V213 PolarHBondContact O-N 2.8Å; T211-V214 PolarHBondContact O-N 2.63Å; T211-V215 HydrophobicContact CG2-CG2 4.05Å; T211-V215 WeakPolarHBondContact O-CB 3.49Å; T211-V215 VanDerWaalsContact O-CG2 3.23Å; T211-V215 WeakPolarHBondContact O-CG2 3.36Å; T211-V215 PolarHBondContact O-N 3.31Å
212S90.3Very high85.3Confident71 Ų7165 Ų6550%0.49735%0.352SS..Hα-helixtrans-62.2-42.8175.2-600000111.6I208 S209 L210 L216I208-S212 VanDerWaalsContact O-CB 3.29Å; I208-S212 WeakPolarHBondContact O-CB 3.43Å; I208-S212 PolarHBondContact O-N 3.3Å; I208-S212 PolarHBondContact O-OG 2.82Å; S209-S212 PolarHBondContact O-N 3.09Å; L210-S212 VanDerWaalsContact C-N 3.29Å; L210-S212 PolarHBondContact O-N 2.92Å; S212-L216 WeakPolarHBondContact O-CB 3.36Å; S212-L216 PolarHBondContact O-N 2.94Å
213V89.9Confident83.8Confident85 Ų8565 Ų6552%0.51535%0.352SS..Hα-helixtrans-62.9-48.7175.6173.50000110.9S209 L210 T211 L216 V217S209-V213 WeakPolarHBondContact O-CG2 3.35Å; S209-V213 PolarHBondContact O-N 2.87Å; S209-V213 VanDerWaalsContact O-N 3.07Å; L210-V213 PolarHBondContact O-N 2.77Å; T211-V213 VanDerWaalsContact C-N 3.34Å; T211-V213 PolarHBondContact O-N 2.8Å; V213-L216 PolarHBondContact O-N 3.32Å; V213-V217 HydrophobicContact CG1-CG2 4.28Å; V213-V217 WeakPolarHBondContact O-CB 3.5Å; V213-V217 VanDerWaalsContact O-CG2 3.27Å; V213-V217 WeakPolarHBondContact O-CG2 3.37Å; V213-V217 PolarHBondContact O-N 3.4Å
214V88.3Confident82.5Confident15 Ų1567 Ų679%0.09137%0.368CS..Hα-helixtrans-63.2-46.5-178.4169.90000111.5F29 W162 L210 T211 L216 V217 I218F29-V214 HydrophobicContact CE1-CG1 3.92Å; F29-V214 HydrophobicContact CE1-CG2 4.36Å; F29-V214 HydrophobicContact CZ-CB 4.47Å; F29-V214 HydrophobicContact CZ-CG1 3.84Å; F29-V214 HydrophobicContact CZ-CG2 3.73Å; W162-V214 HydrophobicContact CB-CG1 4.05Å; W162-V214 HydrophobicContact CD2-CB 4.28Å; W162-V214 HydrophobicContact CD2-CG1 4.11Å; W162-V214 HydrophobicContact CD2-CG2 3.79Å; W162-V214 HydrophobicContact CE3-CG2 4.16Å; W162-V214 HydrophobicContact CG-CB 4.23Å; W162-V214 HydrophobicContact CG-CG1 3.68Å; W162-V214 HydrophobicContact CG-CG2 4.25Å; W162-V214 HydrophobicContact CH2-CG2 4.25Å; W162-V214 HydrophobicContact CZ2-CG2 3.96Å; W162-V214 HydrophobicContact CZ3-CG2 4.35Å; L210-V214 WeakPolarHBondContact O-CG2 3.36Å; L210-V214 PolarHBondContact O-N 3.48Å; T211-V214 PolarHBondContact O-N 2.63Å; V214-L216 VanDerWaalsContact C-N 3.3Å; V214-L216 PolarHBondContact O-N 3.22Å; V214-V217 PolarHBondContact O-N 3.3Å; V214-I218 HydrophobicContact CG1-CD1 3.54Å; V214-I218 HydrophobicContact CG1-CG1 4.3Å; V214-I218 WeakPolarHBondContact O-CB 3.34Å; V214-I218 VanDerWaalsContact O-CG1 3.32Å; V214-I218 WeakPolarHBondContact O-CG1 3.38Å; V214-I218 PolarHBondContact O-N 2.82Å
215V88.4Confident81.1Confident59 Ų5965.1 Ų65.136%0.35836%0.361SS..Hα-helixtrans-61.2-41.6176.5170.70000110.7V159 T211 S219V159-V215 HydrophobicContact CG1-CG2 3.86Å; V159-V215 HydrophobicContact CG2-CG2 4.13Å; T211-V215 HydrophobicContact CG2-CG2 4.05Å; T211-V215 WeakPolarHBondContact O-CB 3.49Å; T211-V215 VanDerWaalsContact O-CG2 3.23Å; T211-V215 WeakPolarHBondContact O-CG2 3.36Å; T211-V215 PolarHBondContact O-N 3.31Å; V215-S219 WeakPolarHBondContact O-CB 3.48Å; V215-S219 PolarHBondContact O-N 2.98Å
216L87Confident79.7Confident79 Ų7962 Ų6241%0.41434%0.341SS..Hα-helixtrans-64.4-45.4177.5-171.8153.8000111.6S212 V213 V214 T220 W222S212-L216 WeakPolarHBondContact O-CB 3.36Å; S212-L216 PolarHBondContact O-N 2.94Å; V213-L216 PolarHBondContact O-N 3.32Å; V214-L216 VanDerWaalsContact C-N 3.3Å; V214-L216 PolarHBondContact O-N 3.22Å; L216-T220 WeakPolarHBondContact O-CB 3.5Å; L216-T220 PolarHBondContact O-N 3.14Å; L216-T220 PolarHBondContact O-OG1 3.12Å; L216-W222 HydrophobicContact CD2-CE3 3.51Å; L216-W222 HydrophobicContact CD2-CZ3 3.88Å
217V84Confident78.3Confident25 Ų2565.5 Ų65.515%0.15236%0.359CS..Hα-helixtrans-62.9-46.1178.6170.30000111.3V213 V214 I223 W225V213-V217 HydrophobicContact CG1-CG2 4.28Å; V213-V217 WeakPolarHBondContact O-CB 3.5Å; V213-V217 VanDerWaalsContact O-CG2 3.27Å; V213-V217 WeakPolarHBondContact O-CG2 3.37Å; V213-V217 PolarHBondContact O-N 3.4Å; V214-V217 PolarHBondContact O-N 3.3Å; V217-I223 HydrophobicContact CG1-CD1 4.2Å; V217-I223 HydrophobicContact CG2-CD1 4.33Å; V217-W225 HydrophobicContact CG1-CZ2 3.77Å
218I82.8Confident76.9Confident5 Ų570 Ų703%0.02638%0.382CS..Hα-helixtrans-72-37.5-179.3-66.2173.1000111.7F29 F32 K155 A158 V159 V214F29-I218 HydrophobicContact CE1-CD1 4.44Å; F32-I218 HydrophobicContact CE1-CG1 4.22Å; F32-I218 HydrophobicContact CE1-CG2 4.39Å; F32-I218 HydrophobicContact CZ-CG2 4.13Å; K155-I218 HydrophobicContact CB-CG2 3.81Å; K155-I218 WeakPolarHBondContact CE-O 3.47Å; K155-I218 HydrophobicContact CG-CG2 3.79Å; A158-I218 HydrophobicContact CB-CD1 3.95Å; V159-I218 HydrophobicContact CG2-CB 4.49Å; V159-I218 HydrophobicContact CG2-CD1 3.95Å; V159-I218 HydrophobicContact CG2-CG2 4.29Å; V214-I218 HydrophobicContact CG1-CD1 3.54Å; V214-I218 HydrophobicContact CG1-CG1 4.3Å; V214-I218 WeakPolarHBondContact O-CB 3.34Å; V214-I218 VanDerWaalsContact O-CG1 3.32Å; V214-I218 WeakPolarHBondContact O-CG1 3.38Å; V214-I218 PolarHBondContact O-N 2.82Å
219S78.3Confident75.4Confident83 Ų8366.8 Ų66.858%0.5837%0.366SS*.Hα-helixtrans-83.1-31.4-174.1-174.30000113.8V215V215-S219 WeakPolarHBondContact O-CB 3.48Å; V215-S219 PolarHBondContact O-N 2.98Å
220T71.3Confident73.9Confident85 Ų8574.3 Ų74.352%0.52139%0.386SS..Hα-helixtrans-91.5-7.2-172.3-42.30000111.7L216 W222L216-T220 WeakPolarHBondContact O-CB 3.5Å; L216-T220 PolarHBondContact O-N 3.14Å; L216-T220 PolarHBondContact O-OG1 3.12Å; T220-W222 HydrophobicContact CG2-CB 4.09Å; T220-W222 PolarHBondContact O-N 3.48Å
221D65.1Low72.4Confident82 Ų8272.1 Ų72.144%0.43938%0.381SS..  trans46.924.5-168.2-58.7-43.2000112.3K155 I223K155-D221 WeakPolarHBondContact CE-OD1 3.47Å; K155-D221 IonicContact NZ-OD1 3.76Å; K155-D221 PolarHBondContact NZ-OD1 2.91Å; K155-D221 IonicContact NZ-OD2 3.36Å; K155-D221 PolarHBondContact NZ-OD2 3.29Å; D221-I223 CarbonylContact O-C 3.55Å; D221-I223 PolarHBondContact O-N 3.41Å
222W55.7Low70.6Confident197 Ų19779.6 Ų79.675%0.74641%0.412SS*.  trans-64.1-31.4-168.8-171.816.3000110.9L216 T220L216-W222 HydrophobicContact CD2-CE3 3.51Å; L216-W222 HydrophobicContact CD2-CZ3 3.88Å; T220-W222 HydrophobicContact CG2-CB 4.09Å; T220-W222 PolarHBondContact O-N 3.48Å
223I59.1Low69Low62 Ų6280.9 Ų80.932%0.31841%0.412SS..SBendtrans-102.7103.5166.7-60.8172.4000106V217 D221 W225 L228V217-I223 HydrophobicContact CG1-CD1 4.2Å; V217-I223 HydrophobicContact CG2-CD1 4.33Å; D221-I223 CarbonylContact O-C 3.55Å; D221-I223 PolarHBondContact O-N 3.41Å; I223-W225 VanDerWaalsContact C-N 3.31Å; I223-W225 HydrophobicContact CG2-CD2 4.22Å; I223-W225 HydrophobicContact CG2-CE3 4.34Å; I223-W225 PolarHBondContact O-N 3.04Å; I223-L228 HydrophobicContact CG2-CB 4.13Å; I223-L228 HydrophobicContact CG2-CD1 4.48Å; I223-L228 HydrophobicContact CG2-CD2 3.85Å; I223-L228 HydrophobicContact CG2-CG 4.38Å
224S61.1Low67.7Low56 Ų5679.2 Ų79.239%0.39240%0.404SS..  trans-6997.4164.129.30000106.9D226 N227 L228S224-D226 PolarHBondContact O-N 2.88Å; S224-D226 VanDerWaalsContact O-N 3.13Å; S224-N227 WeakPolarHBondContact CB-ND2 3.33Å; S224-N227 CarbonylContact O-C 3.5Å; S224-N227 WeakPolarHBondContact O-CA 3.45Å; S224-N227 WeakPolarHBondContact O-CB 3.39Å; S224-N227 PolarHBondContact O-N 3.28Å; S224-N227 WeakPolarHBondContact OG-CB 3.5Å; S224-N227 PolarHBondContact OG-ND2 2.94Å; S224-L228 PolarHBondContact O-N 3.5Å
225W60.6Low67.1Low74 Ų7478.8 Ų78.828%0.2840%0.401SS..Hα-helixtrans-51.7-36.2-179.1-71.7105.9000112.1A33 V217 I223 L228 N229A33-W225 HydrophobicContact CB-CB 3.87Å; A33-W225 HydrophobicContact CB-CD2 3.82Å; A33-W225 HydrophobicContact CB-CE3 3.85Å; A33-W225 HydrophobicContact CB-CG 3.84Å; V217-W225 HydrophobicContact CG1-CZ2 3.77Å; I223-W225 VanDerWaalsContact C-N 3.31Å; I223-W225 HydrophobicContact CG2-CD2 4.22Å; I223-W225 HydrophobicContact CG2-CE3 4.34Å; I223-W225 PolarHBondContact O-N 3.04Å; W225-L228 HydrophobicContact CE3-CD2 4.1Å; W225-L228 HydrophobicContact CZ3-CD2 4.04Å; W225-L228 PolarHBondContact O-N 3.15Å; W225-N229 VanDerWaalsContact O-CB 3.29Å; W225-N229 WeakPolarHBondContact O-CB 3.43Å; W225-N229 PolarHBondContact O-N 3.02Å
226D62.7Low67Low19 Ų1977.9 Ų77.910%0.10239%0.394CS..Hα-helixtrans-62.3-45.5175.1-155.950.1000112.5S224 L228 N229 R230 L382 H383S224-D226 PolarHBondContact O-N 2.88Å; S224-D226 VanDerWaalsContact O-N 3.13Å; D226-L228 PolarHBondContact O-N 3.07Å; D226-N229 PolarHBondContact O-N 3.24Å; D226-R230 PolarHBondContact O-N 3.35Å; D226-L382 WeakPolarHBondContact OD2-CA 3.33Å; D226-H383 VanDerWaalsContact CG-CD2 3.46Å; D226-H383 VanDerWaalsContact CG-N 3.34Å; D226-H383 PolarHBondContact O-CD2 3.19Å; D226-H383 VanDerWaalsContact O-CD2 3.24Å; D226-H383 VanDerWaalsContact OD1-CB 3.22Å; D226-H383 WeakPolarHBondContact OD1-CB 3.26Å; D226-H383 IonicContact OD1-CD2 2.86Å; D226-H383 PolarHBondContact OD1-CD2 2.69Å; D226-H383 IonicContact OD1-CG 3.74Å; D226-H383 PolarHBondContact OD1-N 3.48Å; D226-H383 IonicContact OD2-CD2 3.77Å; D226-H383 PolarHBondContact OD2-CD2 3.07Å; D226-H383 VanDerWaalsContact OD2-CD2 3.23Å; D226-H383 IonicContact OD2-CG 3.85Å; D226-H383 PolarHBondContact OD2-N 2.94Å; D226-H383 VanDerWaalsContact OD2-N 3.11Å
227N62.2Low67Low106 Ų10674.1 Ų74.157%0.56738%0.375SS*.Hα-helixtrans-69.8-31.1175-73.4-34.6000112.9S224 R230S224-N227 WeakPolarHBondContact CB-ND2 3.33Å; S224-N227 CarbonylContact O-C 3.5Å; S224-N227 WeakPolarHBondContact O-CA 3.45Å; S224-N227 WeakPolarHBondContact O-CB 3.39Å; S224-N227 PolarHBondContact O-N 3.28Å; S224-N227 WeakPolarHBondContact OG-CB 3.5Å; S224-N227 PolarHBondContact OG-ND2 2.94Å; N227-R230 WeakPolarHBondContact O-CG 3.5Å
228L60.6Low67.2Low111 Ų11173.9 Ų73.958%0.58137%0.373SS*.Hα-helixtrans-72.5-39.1176.4-165.778.9000111.1I223 S224 W225 D226 R230I223-L228 HydrophobicContact CG2-CB 4.13Å; I223-L228 HydrophobicContact CG2-CD1 4.48Å; I223-L228 HydrophobicContact CG2-CD2 3.85Å; I223-L228 HydrophobicContact CG2-CG 4.38Å; S224-L228 PolarHBondContact O-N 3.5Å; W225-L228 HydrophobicContact CE3-CD2 4.1Å; W225-L228 HydrophobicContact CZ3-CD2 4.04Å; W225-L228 PolarHBondContact O-N 3.15Å; D226-L228 PolarHBondContact O-N 3.07Å; L228-R230 VanDerWaalsContact C-N 3.26Å; L228-R230 PolarHBondContact O-N 3.04Å
229N60.6Low67.6Low37 Ų3776 Ų7620%0.19839%0.388CS..Hα-helixtrans-64.4-31.7177.6-167.3-3.7000110.6W225 D226 G231 F232 L233W225-N229 VanDerWaalsContact O-CB 3.29Å; W225-N229 WeakPolarHBondContact O-CB 3.43Å; W225-N229 PolarHBondContact O-N 3.02Å; D226-N229 PolarHBondContact O-N 3.24Å; N229-G231 PolarHBondContact O-N 3.4Å; N229-F232 VanDerWaalsContact O-CB 3.23Å; N229-F232 WeakPolarHBondContact O-CB 3.45Å; N229-F232 PolarHBondContact O-N 3.18Å; N229-F232 PolarHBondContact OD1-N 2.89Å; N229-L233 PolarHBondContact OD1-N 3.5Å
230R61.4Low68.1Low216 Ų21672 Ų7282%0.81536%0.361SS*.THydrogen-bonded Turntrans48.921-179.3-62.6-173.1177.9177.30.1113.8D226 N227 L228D226-R230 PolarHBondContact O-N 3.35Å; N227-R230 WeakPolarHBondContact O-CG 3.5Å; L228-R230 VanDerWaalsContact C-N 3.26Å; L228-R230 PolarHBondContact O-N 3.04Å
231G59.8Low69Low27 Ų2768 Ų6828%0.27834%0.336SS..THydrogen-bonded Turntrans67.230.2-17000000115.3N229 L233 P234N229-G231 PolarHBondContact O-N 3.4Å; G231-L233 VanDerWaalsContact C-N 3.29Å; G231-P234 WeakPolarHBondContact O-CD 3.49Å
232F54.3Low70.2Confident177 Ų17767.2 Ų67.278%0.77633%0.329SS*.SBendtrans-63-37174.7-175.9-103.1000111.3N229N229-F232 VanDerWaalsContact O-CB 3.23Å; N229-F232 WeakPolarHBondContact O-CB 3.45Å; N229-F232 PolarHBondContact O-N 3.18Å; N229-F232 PolarHBondContact OD1-N 2.89Å
233L55.8Low71.9Confident98 Ų9858.8 Ų58.851%0.51330%0.298SS..SBendtrans-133.991.1167-79.2162.1000108.7N229 G231 S235N229-L233 PolarHBondContact OD1-N 3.5Å; G231-L233 VanDerWaalsContact C-N 3.29Å; L233-S235 PolarHBondContact O-N 2.82Å
234P62.8Low73.4Confident51 Ų5156 Ų5633%0.33128%0.284SS..  trans-70.296.8172.327.6-28.1000108G231G231-P234 WeakPolarHBondContact O-CD 3.49Å
235S76.5Confident74.9Confident6 Ų653.4 Ų53.44%0.04227%0.266CS..  trans-77.4132.2-18063.40000111E34 L233 S239 R240 R385E34-S235 WeakPolarHBondContact OE2-CB 3.27Å; E34-S235 PolarHBondContact OE2-OG 3.47Å; L233-S235 PolarHBondContact O-N 2.82Å; S235-S239 WeakPolarHBondContact CA-OG 3.41Å; S235-S239 WeakPolarHBondContact CB-OG 3.44Å; S235-R240 PolarHBondContact O-NH1 2.99Å; S235-R240 WeakPolarHBondContact OG-CG 3.41Å; S235-R385 PolarHBondContact O-N 3.13Å
236D86Confident76.3Confident39 Ų3954.6 Ų54.621%0.20927%0.273CS..  trans-90.1171.7167.168.9-31.2000110.3V238 S239 R240 I387D236-V238 PolarHBondContact O-N 3.41Å; D236-V238 WeakPolarHBondContact OD2-CB 3.14Å; D236-S239 PolarHBondContact N-OG 2.85Å; D236-S239 VanDerWaalsContact N-OG 3.09Å; D236-S239 PolarHBondContact O-N 3.25Å; D236-S239 PolarHBondContact O-OG 3.42Å; D236-S239 VanDerWaalsContact O-OG 3.04Å; D236-S239 WeakPolarHBondContact OD1-CB 3.47Å; D236-S239 PolarHBondContact OD1-N 3.13Å; D236-S239 PolarHBondContact OD1-OG 2.94Å; D236-R240 PolarHBondContact O-N 2.81Å; D236-R240 VanDerWaalsContact O-N 3.1Å; D236-I387 HydrophobicContact CB-CD1 3.62Å; D236-I387 HydrophobicContact CB-CG1 4.03Å
237E86.9Confident77.7Confident0 Ų053.8 Ų53.80%027%0.269CS..Hα-helixtrans-61.2-25.8179.466-82.2-163.900113.5A241 Y386 I387 G388 A389E237-A241 WeakPolarHBondContact O-CB 3.3Å; E237-A241 PolarHBondContact O-N 2.76Å; E237-A241 VanDerWaalsContact O-N 3.16Å; E237-Y386 VanDerWaalsContact OE2-CA 3.27Å; E237-Y386 WeakPolarHBondContact OE2-CA 3.35Å; E237-I387 WeakPolarHBondContact OE1-CA 3.29Å; E237-I387 WeakPolarHBondContact OE1-CB 3.47Å; E237-I387 PolarHBondContact OE1-N 3.11Å; E237-I387 VanDerWaalsContact OE1-N 3.16Å; E237-I387 PolarHBondContact OE2-N 2.67Å; E237-G388 PolarHBondContact OE1-N 3.16Å; E237-A389 HydrophobicContact CG-CB 4.43Å; E237-A389 WeakPolarHBondContact OE1-CB 3.46Å; E237-A389 PolarHBondContact OE1-N 3.13Å
238V88.6Confident79.1Confident21 Ų2148.8 Ų48.813%0.12724%0.242CC..Hα-helixtrans-75.3-49.5177.8-177.90000110.8D236 R240 A241 F242 A389 I393 K394D236-V238 PolarHBondContact O-N 3.41Å; D236-V238 WeakPolarHBondContact OD2-CB 3.14Å; V238-R240 VanDerWaalsContact C-N 3.34Å; V238-R240 PolarHBondContact O-N 3.21Å; V238-A241 WeakPolarHBondContact O-CB 3.42Å; V238-A241 PolarHBondContact O-N 2.98Å; V238-A241 VanDerWaalsContact O-N 3.15Å; V238-F242 HydrophobicContact CG1-CD2 3.8Å; V238-F242 HydrophobicContact CG1-CE2 3.69Å; V238-F242 WeakPolarHBondContact O-CD2 3.29Å; V238-F242 PolarHBondContact O-N 3Å; V238-A389 HydrophobicContact CG2-CB 3.65Å; V238-I393 HydrophobicContact CG1-CG2 4.27Å; V238-I393 HydrophobicContact CG2-CG2 4.09Å; V238-K394 HydrophobicContact CG2-CG 4.46Å
239S89.6Confident80.6Confident48 Ų4844.7 Ų44.734%0.33622%0.222SC..Hα-helixtrans-61.2-40.3177.3540000112.4S235 D236 A241 F242 L243S235-S239 WeakPolarHBondContact CA-OG 3.41Å; S235-S239 WeakPolarHBondContact CB-OG 3.44Å; D236-S239 PolarHBondContact N-OG 2.85Å; D236-S239 VanDerWaalsContact N-OG 3.09Å; D236-S239 PolarHBondContact O-N 3.25Å; D236-S239 PolarHBondContact O-OG 3.42Å; D236-S239 VanDerWaalsContact O-OG 3.04Å; D236-S239 WeakPolarHBondContact OD1-CB 3.47Å; D236-S239 PolarHBondContact OD1-N 3.13Å; D236-S239 PolarHBondContact OD1-OG 2.94Å; S239-A241 VanDerWaalsContact C-N 3.34Å; S239-A241 PolarHBondContact O-N 3.37Å; S239-F242 PolarHBondContact O-N 3.33Å; S239-L243 WeakPolarHBondContact O-CB 3.48Å; S239-L243 PolarHBondContact O-N 3.22Å
240R90Very high82.1Confident0 Ų045 Ų450%022%0.221CC..Hα-helixtrans-61.9-40.1173.2-69-166.3-59.5-83.2-0.5112.5I31 S235 D236 V238 L243 A244 Q323 R385I31-R240 HydrophobicContact CD1-CB 4.07Å; I31-R240 HydrophobicContact CD1-CG 4.38Å; S235-R240 PolarHBondContact O-NH1 2.99Å; S235-R240 WeakPolarHBondContact OG-CG 3.41Å; D236-R240 PolarHBondContact O-N 2.81Å; D236-R240 VanDerWaalsContact O-N 3.1Å; V238-R240 VanDerWaalsContact C-N 3.34Å; V238-R240 PolarHBondContact O-N 3.21Å; R240-L243 PolarHBondContact O-N 2.85Å; R240-A244 WeakPolarHBondContact O-CB 3.23Å; R240-A244 PolarHBondContact O-N 3.16Å; R240-Q323 HydrophobicContact CB-CG 4.41Å; R240-Q323 VanDerWaalsContact NE-OE1 3.07Å; R240-R385 PolarHBondContact NH1-O 3.35Å; R240-R385 PolarHBondContact NH2-O 2.97Å
241A90.1Very high83.4Confident0 Ų034.9 Ų34.90%018%0.184CC..Hα-helixtrans-64.5-39.7175.300000112.8E237 V238 S239 S245 I324 A397E237-A241 WeakPolarHBondContact O-CB 3.3Å; E237-A241 PolarHBondContact O-N 2.76Å; E237-A241 VanDerWaalsContact O-N 3.16Å; V238-A241 WeakPolarHBondContact O-CB 3.42Å; V238-A241 PolarHBondContact O-N 2.98Å; V238-A241 VanDerWaalsContact O-N 3.15Å; S239-A241 VanDerWaalsContact C-N 3.34Å; S239-A241 PolarHBondContact O-N 3.37Å; A241-S245 PolarHBondContact O-N 2.56Å; A241-I324 HydrophobicContact CB-CD1 3.61Å; A241-I324 HydrophobicContact CB-CG1 4.43Å; A241-A397 HydrophobicContact CB-CB 4.04Å
242F90.8Very high84.8Confident67 Ų6733.8 Ų33.829%0.29417%0.171SC..Hα-helixtrans-65.2-44.5173.2-87.1-78000111.8V238 S239 A244 S245 F246 L396 A397V238-F242 HydrophobicContact CG1-CD2 3.8Å; V238-F242 HydrophobicContact CG1-CE2 3.69Å; V238-F242 WeakPolarHBondContact O-CD2 3.29Å; V238-F242 PolarHBondContact O-N 3Å; S239-F242 PolarHBondContact O-N 3.33Å; F242-A244 PolarHBondContact O-N 3.1Å; F242-S245 PolarHBondContact O-N 3.04Å; F242-S245 VanDerWaalsContact O-N 3.14Å; F242-F246 HydrophobicContact CB-CE2 4.45Å; F242-F246 WeakPolarHBondContact O-CD2 3.4Å; F242-F246 PolarHBondContact O-N 3.19Å; F242-L396 HydrophobicContact CZ-CB 4.24Å; F242-A397 HydrophobicContact CD1-CB 3.96Å; F242-A397 HydrophobicContact CD2-CB 3.98Å; F242-A397 HydrophobicContact CE1-CB 4.1Å; F242-A397 HydrophobicContact CE2-CB 4.1Å; F242-A397 HydrophobicContact CG-CB 3.9Å; F242-A397 HydrophobicContact CZ-CB 4.16Å
243L90.9Very high86.5Confident20 Ų2027.4 Ų27.411%0.10515%0.145CC..Hα-helixtrans-58-47.8176.1-179.760.5000111.1F27 L30 I31 S239 R240 S245 F246 I247F27-L243 HydrophobicContact CB-CD1 4.11Å; F27-L243 HydrophobicContact CD1-CD1 3.94Å; F27-L243 HydrophobicContact CG-CD1 4.03Å; L30-L243 HydrophobicContact CB-CD2 4.36Å; L30-L243 HydrophobicContact CD2-CD1 4.32Å; L30-L243 HydrophobicContact CD2-CD2 3.96Å; L30-L243 HydrophobicContact CG-CD2 3.97Å; I31-L243 HydrophobicContact CB-CD2 3.97Å; I31-L243 HydrophobicContact CB-CG 4.36Å; I31-L243 HydrophobicContact CD1-CB 4.24Å; I31-L243 HydrophobicContact CD1-CD2 3.82Å; I31-L243 HydrophobicContact CD1-CG 4.13Å; I31-L243 HydrophobicContact CG1-CD2 4.5Å; S239-L243 WeakPolarHBondContact O-CB 3.48Å; S239-L243 PolarHBondContact O-N 3.22Å; R240-L243 PolarHBondContact O-N 2.85Å; L243-S245 VanDerWaalsContact C-N 3.31Å; L243-S245 PolarHBondContact O-N 3.09Å; L243-F246 WeakPolarHBondContact O-CB 3.48Å; L243-F246 PolarHBondContact O-N 2.84Å; L243-F246 VanDerWaalsContact O-N 3.11Å; L243-I247 HydrophobicContact CG-CD1 4.41Å; L243-I247 WeakPolarHBondContact O-CG1 3.38Å; L243-I247 PolarHBondContact O-N 3.09Å
244A91Very high88.1Confident2 Ų223.2 Ų23.22%0.01712%0.123CC..Hα-helixtrans-60.9-37.7175.100000112.7R240 F242 I247 L248 W320 Q323R240-A244 WeakPolarHBondContact O-CB 3.23Å; R240-A244 PolarHBondContact O-N 3.16Å; F242-A244 PolarHBondContact O-N 3.1Å; A244-I247 PolarHBondContact O-N 3.26Å; A244-L248 PolarHBondContact O-N 3.48Å; A244-W320 HydrophobicContact CB-CB 4Å; A244-W320 HydrophobicContact CB-CG 4.37Å; A244-Q323 HydrophobicContact CB-CG 4.44Å
245S91.3Very high89.2Confident2 Ų221 Ų211%0.01411%0.109CC..Hα-helixtrans-69.8-32.9174-174.20000113A241 F242 L243 L248 V249 A397 S401A241-S245 PolarHBondContact O-N 2.56Å; F242-S245 PolarHBondContact O-N 3.04Å; F242-S245 VanDerWaalsContact O-N 3.14Å; L243-S245 VanDerWaalsContact C-N 3.31Å; L243-S245 PolarHBondContact O-N 3.09Å; S245-L248 PolarHBondContact O-N 2.93Å; S245-V249 WeakPolarHBondContact O-CG2 3.17Å; S245-V249 PolarHBondContact O-N 3.36Å; S245-A397 WeakPolarHBondContact CB-O 3.37Å; S245-A397 PolarHBondContact OG-O 2.99Å; S245-S401 WeakPolarHBondContact OG-CB 3.37Å; S245-S401 PolarHBondContact OG-OG 3.13Å; S245-S401 VanDerWaalsContact OG-OG 3.06Å
246F91.1Very high89.5Confident99 Ų9921.7 Ų21.743%0.43411%0.111SC..Hα-helixtrans-64.4-43.8174.8-81.9-63.8000110.7F242 L243 L248 V249 F250F242-F246 HydrophobicContact CB-CE2 4.45Å; F242-F246 WeakPolarHBondContact O-CD2 3.4Å; F242-F246 PolarHBondContact O-N 3.19Å; L243-F246 WeakPolarHBondContact O-CB 3.48Å; L243-F246 PolarHBondContact O-N 2.84Å; L243-F246 VanDerWaalsContact O-N 3.11Å; F246-L248 PolarHBondContact O-N 3.18Å; F246-V249 PolarHBondContact O-N 3.49Å; F246-F250 HydrophobicContact CD1-CE2 4.41Å; F246-F250 WeakPolarHBondContact O-CD2 3.21Å; F246-F250 PolarHBondContact O-N 2.88Å
247I92.1Very high89.5Confident2 Ų220.1 Ų20.11%0.0110%0.103CC..Hα-helixtrans-54.5-52.2175.1-66.2163.3000110.3F27 N28 I31 L243 A244 V249 F250 D251 D316F27-I247 HydrophobicContact CB-CD1 3.98Å; F27-I247 HydrophobicContact CB-CG1 3.57Å; N28-I247 WeakPolarHBondContact OD1-CG2 3.13Å; I31-I247 HydrophobicContact CB-CD1 4Å; I31-I247 HydrophobicContact CG2-CD1 3.68Å; L243-I247 HydrophobicContact CG-CD1 4.41Å; L243-I247 WeakPolarHBondContact O-CG1 3.38Å; L243-I247 PolarHBondContact O-N 3.09Å; A244-I247 PolarHBondContact O-N 3.26Å; I247-V249 VanDerWaalsContact C-N 3.32Å; I247-V249 PolarHBondContact O-N 3.23Å; I247-F250 PolarHBondContact O-N 3.12Å; I247-D251 PolarHBondContact O-N 2.97Å; I247-D316 HydrophobicContact CG2-CB 4.17Å; I247-D316 WeakPolarHBondContact CG2-OD2 3.31Å
248L91.3Very high89.3Confident2 Ų220.2 Ų20.21%0.0110%0.104CC..Hα-helixtrans-57-41177.6-76.3176.2000113.9A244 S245 F246 L252 L313 D316 L317 W320A244-L248 PolarHBondContact O-N 3.48Å; S245-L248 PolarHBondContact O-N 2.93Å; F246-L248 PolarHBondContact O-N 3.18Å; L248-L252 PolarHBondContact O-N 3.25Å; L248-L313 HydrophobicContact CD2-CD1 3.8Å; L248-D316 HydrophobicContact CD2-CB 3.98Å; L248-L317 HydrophobicContact CD1-CD1 3.98Å; L248-L317 HydrophobicContact CD2-CB 4.2Å; L248-L317 HydrophobicContact CD2-CD1 4.47Å; L248-W320 HydrophobicContact CD1-CB 3.68Å; L248-W320 HydrophobicContact CD1-CD2 4.22Å; L248-W320 HydrophobicContact CD1-CG 3.71Å
249V91.9Very high88.5Confident25 Ų2520.6 Ų20.615%0.15210%0.103CC..Hα-helixtrans-65.9-42.5177.1169.70000110.2S245 F246 I247 L252 L253 P400 A404S245-V249 WeakPolarHBondContact O-CG2 3.17Å; S245-V249 PolarHBondContact O-N 3.36Å; F246-V249 PolarHBondContact O-N 3.49Å; I247-V249 VanDerWaalsContact C-N 3.32Å; I247-V249 PolarHBondContact O-N 3.23Å; V249-L252 PolarHBondContact O-N 3.27Å; V249-L253 HydrophobicContact CG1-CD1 4.1Å; V249-L253 HydrophobicContact CG1-CG 4.34Å; V249-L253 VanDerWaalsContact O-CG 3.29Å; V249-L253 WeakPolarHBondContact O-CG 3.3Å; V249-L253 PolarHBondContact O-N 2.83Å; V249-P400 HydrophobicContact CG2-CB 4.16Å; V249-A404 HydrophobicContact CG1-CB 4.48Å; V249-A404 HydrophobicContact CG2-CB 4.1Å
250F91.3Very high87.6Confident42 Ų4219.8 Ų19.818%0.1849%0.094CC..Hα-helixtrans-69.6-38.7-178.7-84.3-117.4000112.3V20 L23 V24 F246 I247 L252 L253 I254V20-F250 HydrophobicContact CB-CD1 4.28Å; V20-F250 HydrophobicContact CG1-CB 4.33Å; V20-F250 HydrophobicContact CG1-CD1 3.77Å; V20-F250 HydrophobicContact CG1-CG 4.4Å; V20-F250 HydrophobicContact CG2-CD1 4.31Å; V20-F250 HydrophobicContact CG2-CE1 4.26Å; L23-F250 HydrophobicContact CB-CE1 4.47Å; L23-F250 HydrophobicContact CD2-CD1 3.82Å; L23-F250 HydrophobicContact CD2-CE1 3.18Å; L23-F250 HydrophobicContact CD2-CZ 3.63Å; L23-F250 HydrophobicContact CG-CE1 4.42Å; V24-F250 HydrophobicContact CG2-CB 3.31Å; V24-F250 HydrophobicContact CG2-CD1 4.38Å; V24-F250 HydrophobicContact CG2-CG 4.29Å; F246-F250 HydrophobicContact CD1-CE2 4.41Å; F246-F250 WeakPolarHBondContact O-CD2 3.21Å; F246-F250 PolarHBondContact O-N 2.88Å; I247-F250 PolarHBondContact O-N 3.12Å; F250-L252 VanDerWaalsContact C-N 3.27Å; F250-L252 PolarHBondContact O-N 2.95Å; F250-L253 CarbonylContact O-C 3.56Å; F250-L253 WeakPolarHBondContact O-CA 3.26Å; F250-L253 WeakPolarHBondContact O-CB 3.48Å; F250-L253 PolarHBondContact O-N 2.81Å; F250-L253 VanDerWaalsContact O-N 3.1Å; F250-I254 WeakPolarHBondContact O-CG1 3.37Å; F250-I254 PolarHBondContact O-N 3.41Å
251D89.3Confident86.8Confident5 Ų521 Ų213%0.02710%0.099CC..Hα-helixtrans-55.9-44.9170.7-84.8-12.9000111.9V24 I247 L253 I254 V255 L313V24-D251 WeakPolarHBondContact CG1-OD1 3.48Å; I247-D251 PolarHBondContact O-N 2.97Å; D251-L253 VanDerWaalsContact C-N 3.33Å; D251-L253 PolarHBondContact O-N 3.09Å; D251-I254 WeakPolarHBondContact O-CB 3.41Å; D251-I254 PolarHBondContact O-N 2.77Å; D251-V255 PolarHBondContact O-N 3.21Å; D251-L313 HydrophobicContact CB-CD1 3.64Å
252L89.6Confident85.5Confident4 Ų421.6 Ų21.62%0.02110%0.103CC..Hα-helixtrans-66.7-37.9177.3-16068000111.6L248 V249 F250 I254 V255 M256 A404 F405 F408L248-L252 PolarHBondContact O-N 3.25Å; V249-L252 PolarHBondContact O-N 3.27Å; F250-L252 VanDerWaalsContact C-N 3.27Å; F250-L252 PolarHBondContact O-N 2.95Å; L252-I254 VanDerWaalsContact C-N 3.31Å; L252-I254 PolarHBondContact O-N 3.31Å; L252-V255 PolarHBondContact O-N 2.8Å; L252-M256 HydrophobicContact CD2-SD 4.36Å; L252-M256 HydrophobicContact CG-SD 4.16Å; L252-M256 VanDerWaalsContact O-CG 3.3Å; L252-M256 WeakPolarHBondContact O-CG 3.48Å; L252-M256 PolarHBondContact O-N 3.4Å; L252-A404 HydrophobicContact CD2-CB 3.61Å; L252-A404 WeakPolarHBondContact CD2-O 3.15Å; L252-F405 HydrophobicContact CD1-CE1 4.43Å; L252-F405 HydrophobicContact CD2-CD1 4.44Å; L252-F408 HydrophobicContact CD1-CB 3.96Å; L252-F408 HydrophobicContact CD1-CD1 4.14Å; L252-F408 HydrophobicContact CD1-CD2 3.53Å; L252-F408 HydrophobicContact CD1-CE2 3.99Å; L252-F408 HydrophobicContact CD1-CG 3.62Å; L252-F408 HydrophobicContact CD1-CZ 4.49Å; L252-F408 HydrophobicContact CD2-CB 3.65Å; L252-F408 HydrophobicContact CD2-CG 4.28Å; L252-F408 HydrophobicContact CG-CB 4Å; L252-F408 HydrophobicContact CG-CD2 4.01Å; L252-F408 HydrophobicContact CG-CG 4.14Å
253L90Very high84.2Confident43 Ų4321.9 Ų21.923%0.22511%0.105CC..Hα-helixtrans-62-37174.1-73.2174.3000112F11 V20 V249 F250 D251 V255 M256 Q257F11-L253 HydrophobicContact CE2-CD2 4.15Å; F11-L253 HydrophobicContact CZ-CD2 4.03Å; V20-L253 HydrophobicContact CG1-CB 4.15Å; V249-L253 HydrophobicContact CG1-CD1 4.1Å; V249-L253 HydrophobicContact CG1-CG 4.34Å; V249-L253 VanDerWaalsContact O-CG 3.29Å; V249-L253 WeakPolarHBondContact O-CG 3.3Å; V249-L253 PolarHBondContact O-N 2.83Å; F250-L253 CarbonylContact O-C 3.56Å; F250-L253 WeakPolarHBondContact O-CA 3.26Å; F250-L253 WeakPolarHBondContact O-CB 3.48Å; F250-L253 PolarHBondContact O-N 2.81Å; F250-L253 VanDerWaalsContact O-N 3.1Å; D251-L253 VanDerWaalsContact C-N 3.33Å; D251-L253 PolarHBondContact O-N 3.09Å; L253-V255 VanDerWaalsContact C-N 3.26Å; L253-V255 PolarHBondContact O-N 2.73Å; L253-M256 PolarHBondContact O-N 2.81Å; L253-Q257 VanDerWaalsContact O-CB 3.26Å; L253-Q257 WeakPolarHBondContact O-CB 3.16Å; L253-Q257 VanDerWaalsContact O-CG 3.22Å; L253-Q257 WeakPolarHBondContact O-CG 3.26Å; L253-Q257 PolarHBondContact O-N 3.31Å
254I88.4Confident82.9Confident9 Ų921.4 Ų21.45%0.04610%0.102CC..Hα-helixtrans-56.9-44.2175-67.2169.4000110.3V20 A21 V24 T168 V172 F250 D251 L252 I309V20-I254 HydrophobicContact CG1-CG1 3.78Å; A21-I254 HydrophobicContact CB-CD1 4.34Å; V24-I254 HydrophobicContact CB-CD1 4.43Å; V24-I254 HydrophobicContact CG2-CD1 3.95Å; T168-I254 HydrophobicContact CG2-CD1 4.07Å; T168-I254 HydrophobicContact CG2-CG2 3.84Å; V172-I254 HydrophobicContact CG2-CG2 4.2Å; F250-I254 WeakPolarHBondContact O-CG1 3.37Å; F250-I254 PolarHBondContact O-N 3.41Å; D251-I254 WeakPolarHBondContact O-CB 3.41Å; D251-I254 PolarHBondContact O-N 2.77Å; L252-I254 VanDerWaalsContact C-N 3.31Å; L252-I254 PolarHBondContact O-N 3.31Å; I254-I309 HydrophobicContact CG2-CD1 4.38Å
255V85.8Confident81.2Confident6 Ų624.1 Ų24.14%0.03612%0.115CC..Hα-helixtrans-70.5-42.1178.3-175.30000111.3D251 L252 L253 D258 F261 F264 Y306 I309 F408D251-V255 PolarHBondContact O-N 3.21Å; L252-V255 PolarHBondContact O-N 2.8Å; L253-V255 VanDerWaalsContact C-N 3.26Å; L253-V255 PolarHBondContact O-N 2.73Å; V255-D258 WeakPolarHBondContact O-CB 3.37Å; V255-D258 PolarHBondContact O-N 3.14Å; V255-F261 HydrophobicContact CG1-CD2 4.22Å; V255-F261 WeakPolarHBondContact O-CB 3.33Å; V255-F264 HydrophobicContact CG1-CE1 4.37Å; V255-F264 HydrophobicContact CG1-CZ 3.87Å; V255-Y306 HydrophobicContact CG1-CE1 4.27Å; V255-I309 HydrophobicContact CG2-CG2 3.66Å; V255-F408 HydrophobicContact CB-CE2 4.35Å; V255-F408 HydrophobicContact CG1-CE2 3.79Å; V255-F408 HydrophobicContact CG1-CZ 4.43Å
256M83.9Confident79.4Confident19 Ų1925.5 Ų25.59%0.09413%0.13CC..Hα-helixtrans-70.6-29.1-178.8-69.7177.462.500113.6F11 L252 L253 D258 F261 L407 F408 F411F11-M256 HydrophobicContact CZ-CB 4.48Å; L252-M256 HydrophobicContact CD2-SD 4.36Å; L252-M256 HydrophobicContact CG-SD 4.16Å; L252-M256 VanDerWaalsContact O-CG 3.3Å; L252-M256 WeakPolarHBondContact O-CG 3.48Å; L252-M256 PolarHBondContact O-N 3.4Å; L253-M256 PolarHBondContact O-N 2.81Å; M256-D258 PolarHBondContact O-N 3.49Å; M256-F261 HydrophobicContact CB-CE1 4.48Å; M256-F261 HydrophobicContact CG-CE1 4.15Å; M256-F261 HydrophobicContact CG-CZ 4.11Å; M256-L407 HydrophobicContact CE-CD2 3.92Å; M256-L407 HydrophobicContact CE-CG 4.15Å; M256-F408 HydrophobicContact CG-CD2 3.85Å; M256-F408 HydrophobicContact SD-CB 4.24Å; M256-F408 HydrophobicContact SD-CD2 4.4Å; M256-F411 HydrophobicContact CE-CD2 3.89Å; M256-F411 HydrophobicContact CE-CE2 3.93Å
257Q85.4Confident77.2Confident6 Ų626.5 Ų26.53%0.02814%0.14CC..THydrogen-bonded Turntrans-78.1-4.7176.2-73.6179.3-22.600112.9F11 S16 R17 L253F11-Q257 HydrophobicContact CD1-CG 3.97Å; F11-Q257 HydrophobicContact CD2-CG 4.38Å; F11-Q257 HydrophobicContact CE1-CB 4.22Å; F11-Q257 HydrophobicContact CE1-CG 3.46Å; F11-Q257 VanDerWaalsContact CE1-CG 3.46Å; F11-Q257 HydrophobicContact CE2-CG 3.91Å; F11-Q257 HydrophobicContact CG-CG 4.41Å; F11-Q257 HydrophobicContact CZ-CG 3.42Å; F11-Q257 VanDerWaalsContact CZ-CG 3.42Å; F11-Q257 PolarHBondContact O-NE2 3.29Å; S16-Q257 PolarHBondContact OG-NE2 2.87Å; S16-Q257 VanDerWaalsContact OG-NE2 3.1Å; R17-Q257 HydrophobicContact CG-CB 4.03Å; R17-Q257 PolarHBondContact NH1-O 2.99Å; L253-Q257 VanDerWaalsContact O-CB 3.26Å; L253-Q257 WeakPolarHBondContact O-CB 3.16Å; L253-Q257 VanDerWaalsContact O-CG 3.22Å; L253-Q257 WeakPolarHBondContact O-CG 3.26Å; L253-Q257 PolarHBondContact O-N 3.31Å
258D82.8Confident75Confident3 Ų329.9 Ų29.92%0.01616%0.157CC..SBendtrans-65.6146177.3-163.9-101.7000112.5Q12 R17 M175 V255 M256 E260 F261 Y306Q12-D258 PolarHBondContact NE2-O 3.49Å; R17-D258 IonicContact CZ-OD2 2.86Å; R17-D258 IonicContact NH1-OD2 2.7Å; R17-D258 IonicContact NH2-OD2 3.87Å; R17-D258 PolarHBondContact NH2-OD2 2.93Å; M175-D258 WeakPolarHBondContact CE-OD2 3.47Å; V255-D258 WeakPolarHBondContact O-CB 3.37Å; V255-D258 PolarHBondContact O-N 3.14Å; M256-D258 PolarHBondContact O-N 3.49Å; D258-E260 PolarHBondContact O-N 3.05Å; D258-E260 PolarHBondContact OD1-N 3.48Å; D258-F261 HydrophobicContact CB-CB 4.33Å; D258-F261 PolarHBondContact O-N 2.81Å; D258-Y306 VanDerWaalsContact CB-OH 3.32Å; D258-Y306 WeakPolarHBondContact CB-OH 3.42Å; D258-Y306 PolarHBondContact OD1-OH 2.94Å; D258-Y306 PolarHBondContact OD2-OH 3.49Å
259W72.4Confident72.9Confident29 Ų2936 Ų3611%0.1119%0.19CC..THydrogen-bonded Turntrans-61.2-34.6-177.5-62.6123.1000112.5R8 Q12 R17 M176 Y182R8-W259 PolarHBondContact NH2-O 2.95Å; Q12-W259 HydrophobicContact CB-CE3 3.89Å; Q12-W259 HydrophobicContact CB-CH2 3.24Å; Q12-W259 HydrophobicContact CB-CZ2 4.18Å; Q12-W259 HydrophobicContact CB-CZ3 3.14Å; Q12-W259 HydrophobicContact CG-CE3 4.32Å; Q12-W259 HydrophobicContact CG-CH2 4.45Å; Q12-W259 HydrophobicContact CG-CZ3 3.94Å; Q12-W259 WeakPolarHBondContact O-CH2 3.41Å; Q12-W259 VanDerWaalsContact O-CZ2 3.31Å; Q12-W259 WeakPolarHBondContact O-CZ2 3.49Å; R17-W259 VanDerWaalsContact NH1-CD1 3.25Å; R17-W259 VanDerWaalsContact NH1-CE2 3.33Å; M176-W259 HydrophobicContact CE-CZ2 4.1Å; M176-W259 HydrophobicContact SD-CZ2 4.3Å; Y182-W259 HydrophobicContact CD2-CH2 4.17Å; Y182-W259 HydrophobicContact CD2-CZ2 4.23Å; Y182-W259 AromaticContact CE2-CH2 3.17Å; Y182-W259 HydrophobicContact CE2-CH2 3.17Å; Y182-W259 AromaticContact CE2-CZ2 3.64Å; Y182-W259 HydrophobicContact CE2-CZ2 3.64Å; Y182-W259 HydrophobicContact CE2-CZ3 4.04Å; Y182-W259 AromaticContact CZ-CH2 3.76Å
260E70.8Confident70.9Confident31 Ų3136 Ų3615%0.14519%0.189CC..THydrogen-bonded Turntrans-100.1-2.5-173.5-67.4179.7-173.300113.2D258 P262 H263 F264 G266 K302D258-E260 PolarHBondContact O-N 3.05Å; D258-E260 PolarHBondContact OD1-N 3.48Å; E260-P262 CarbonylContact O-C 3.6Å; E260-H263 WeakPolarHBondContact O-CA 3.13Å; E260-H263 PolarHBondContact O-N 2.9Å; E260-F264 PolarHBondContact O-N 3.49Å; E260-G266 VanDerWaalsContact OE1-CA 3.29Å; E260-G266 WeakPolarHBondContact OE1-CA 3.01Å; E260-G266 PolarHBondContact OE2-N 3.5Å; E260-K302 IonicContact OE1-NZ 3.71Å; E260-K302 PolarHBondContact OE1-NZ 3.19Å; E260-K302 IonicContact OE2-NZ 3.94Å; E260-K302 PolarHBondContact OE2-NZ 2.99Å
261F72.4Confident69.3Low26 Ų2636.7 Ų36.711%0.11419%0.194CC..THydrogen-bonded Turntrans-59.5133.3171.6-179.4-98.2000109.9V255 M256 D258 F264 F408 F411 V412V255-F261 HydrophobicContact CG1-CD2 4.22Å; V255-F261 WeakPolarHBondContact O-CB 3.33Å; M256-F261 HydrophobicContact CB-CE1 4.48Å; M256-F261 HydrophobicContact CG-CE1 4.15Å; M256-F261 HydrophobicContact CG-CZ 4.11Å; D258-F261 HydrophobicContact CB-CB 4.33Å; D258-F261 PolarHBondContact O-N 2.81Å; F261-F264 HydrophobicContact CB-CE1 4.47Å; F261-F264 HydrophobicContact CB-CZ 4.46Å; F261-F264 HydrophobicContact CD2-CE1 4.37Å; F261-F264 HydrophobicContact CD2-CE2 4.08Å; F261-F264 AromaticContact CD2-CZ 3.61Å; F261-F264 HydrophobicContact CD2-CZ 3.61Å; F261-F264 HydrophobicContact CE2-CZ 4.38Å; F261-F408 HydrophobicContact CD2-CE2 4.26Å; F261-F408 AromaticContact CE2-CD2 3.67Å; F261-F408 HydrophobicContact CE2-CD2 3.67Å; F261-F408 AromaticContact CE2-CE2 3.36Å; F261-F408 HydrophobicContact CE2-CE2 3.36Å; F261-F408 HydrophobicContact CE2-CZ 4.16Å; F261-F408 AromaticContact CZ-CD2 3.78Å; F261-F408 HydrophobicContact CZ-CD2 3.78Å; F261-F408 AromaticContact CZ-CE2 3.97Å; F261-F408 HydrophobicContact CZ-CE2 3.97Å; F261-F411 HydrophobicContact CE1-CB 3.82Å; F261-F411 HydrophobicContact CE1-CD2 4.44Å; F261-F411 HydrophobicContact CE1-CG 4.41Å; F261-F411 HydrophobicContact CZ-CB 3.97Å; F261-V412 HydrophobicContact CE2-CG2 3.88Å; F261-V412 HydrophobicContact CZ-CG2 4.04Å
262P62.6Low67.8Low12 Ų1236.7 Ų36.78%0.07819%0.194CC..THydrogen-bonded Turncis-98.712.40.433.5-29.8000115.2E260 F264 V412 F415E260-P262 CarbonylContact O-C 3.6Å; P262-F264 WeakPolarHBondContact O-CD2 3.1Å; P262-V412 HydrophobicContact CB-CG2 4.21Å; P262-F415 HydrophobicContact CG-CB 3.53Å
263H64Low66.2Low72 Ų7237.1 Ų37.133%0.33320%0.197SC..THydrogen-bonded Turntrans-85.3-39.6-172.5-66.574.8000113.1M101 E260 M265 F415M101-H263 WeakPolarHBondContact CA-O 3.23Å; E260-H263 WeakPolarHBondContact O-CA 3.13Å; E260-H263 PolarHBondContact O-N 2.9Å; H263-M265 HydrophobicContact CB-CG 4.42Å; H263-M265 WeakPolarHBondContact O-CG 3.44Å; H263-M265 PolarHBondContact O-N 3.36Å; H263-F415 PolarHBondContact CE1-O 3.4Å; H263-F415 PolarHBondContact NE2-O 3.14Å; H263-F415 VanDerWaalsContact NE2-O 3.08Å
264F64.1Low64.6Low11 Ų1135.3 Ų35.35%0.04819%0.189CC..  trans51.226.7-179.7-51.9-73.1000115M101 V255 E260 F261 P262 W303 Y306M101-F264 HydrophobicContact CB-CB 4.3Å; M101-F264 HydrophobicContact CB-CD2 3.88Å; M101-F264 HydrophobicContact SD-CD2 4.16Å; M101-F264 HydrophobicContact SD-CE2 4.31Å; V255-F264 HydrophobicContact CG1-CE1 4.37Å; V255-F264 HydrophobicContact CG1-CZ 3.87Å; E260-F264 PolarHBondContact O-N 3.49Å; F261-F264 HydrophobicContact CB-CE1 4.47Å; F261-F264 HydrophobicContact CB-CZ 4.46Å; F261-F264 HydrophobicContact CD2-CE1 4.37Å; F261-F264 HydrophobicContact CD2-CE2 4.08Å; F261-F264 AromaticContact CD2-CZ 3.61Å; F261-F264 HydrophobicContact CD2-CZ 3.61Å; F261-F264 HydrophobicContact CE2-CZ 4.38Å; P262-F264 WeakPolarHBondContact O-CD2 3.1Å; F264-W303 HydrophobicContact CB-CZ2 4.34Å; F264-Y306 HydrophobicContact CD1-CD2 4.26Å; F264-Y306 HydrophobicContact CD1-CE1 4.22Å; F264-Y306 AromaticContact CD1-CE2 3.53Å; F264-Y306 HydrophobicContact CD1-CE2 3.53Å; F264-Y306 AromaticContact CD1-CZ 3.51Å; F264-Y306 HydrophobicContact CE1-CD1 4.3Å; F264-Y306 HydrophobicContact CE1-CD2 4.47Å; F264-Y306 AromaticContact CE1-CE1 3.59Å; F264-Y306 HydrophobicContact CE1-CE1 3.59Å; F264-Y306 AromaticContact CE1-CE2 3.79Å; F264-Y306 HydrophobicContact CE1-CE2 3.79Å; F264-Y306 AromaticContact CE1-CZ 3.3Å; F264-Y306 WeakPolarHBondContact CE1-OH 3.04Å; F264-Y306 HydrophobicContact CZ-CE1 4.37Å
265M55.1Low63.3Low59 Ų5938.5 Ų38.529%0.29120%0.204SC..  trans-97-7.1-173.9-71.3-78.48900113.8K100 R103 H263 D267K100-M265 HydrophobicContact CB-CG 4.4Å; K100-M265 WeakPolarHBondContact O-CE 3.46Å; R103-M265 HydrophobicContact CB-CE 3.76Å; R103-M265 HydrophobicContact CB-SD 3.79Å; R103-M265 HydrophobicContact CG-SD 4.49Å; H263-M265 HydrophobicContact CB-CG 4.42Å; H263-M265 WeakPolarHBondContact O-CG 3.44Å; H263-M265 PolarHBondContact O-N 3.36Å; M265-D267 PolarHBondContact O-N 2.66Å
266G53.2Low61.7Low31 Ų3142.5 Ų42.532%0.3223%0.233SC..  trans-74.6132.2-172.800000111E260 L268 K302E260-G266 VanDerWaalsContact OE1-CA 3.29Å; E260-G266 WeakPolarHBondContact OE1-CA 3.01Å; E260-G266 PolarHBondContact OE2-N 3.5Å; G266-L268 PolarHBondContact O-N 3.39Å; G266-K302 PolarHBondContact O-NZ 3.45Å
267D45.8Very low60.2Low120 Ų12044.4 Ų44.464%0.64225%0.246SC*.  trans-76.662157.3-71.1-35000108.1M265 D269M265-D267 PolarHBondContact O-N 2.66Å; D267-D269 PolarHBondContact O-N 2.81Å
268L44.7Very low58.6Low72 Ų7245.9 Ų45.938%0.37726%0.255SS..  trans-65.9103161-136.199.9000104G266 M270G266-L268 PolarHBondContact O-N 3.39Å; L268-M270 HydrophobicContact CD2-CB 4.44Å; L268-M270 HydrophobicContact CD2-CG 4.5Å; L268-M270 HydrophobicContact CD2-SD 4.18Å; L268-M270 PolarHBondContact O-N 3Å
269D46.8Very low57.1Low132 Ų13249 Ų4971%0.70627%0.269SS*.  trans-59.458.6173.5-76.5-37.9000110.5D267D267-D269 PolarHBondContact O-N 2.81Å
270M50.9Low56.1Low25 Ų2550.3 Ų50.312%0.12328%0.28CS..  trans-102.3108.7179.9-135.8-175.875.700105.5M175 Q178 L268M175-M270 VanDerWaalsContact CA-SD 3.52Å; M175-M270 HydrophobicContact CB-CE 4.07Å; M175-M270 HydrophobicContact CB-SD 3.93Å; M175-M270 HydrophobicContact CG-CE 3.16Å; M175-M270 HydrophobicContact CG-SD 3.41Å; M175-M270 WeakPolarHBondContact CG-SD 3.45Å; Q178-M270 HydrophobicContact CB-CG 4.46Å; L268-M270 HydrophobicContact CD2-CB 4.44Å; L268-M270 HydrophobicContact CD2-CG 4.5Å; L268-M270 HydrophobicContact CD2-SD 4.18Å; L268-M270 PolarHBondContact O-N 3Å
271N56.7Low55.3Low55 Ų5555.6 Ų55.629%0.29430%0.303SS..PPolyproline II helixtrans-54.9150.1178-48.9-34.8000108.8R199 M275R199-N271 PolarHBondContact NH2-O 3.15Å; N271-M275 WeakPolarHBondContact CB-O 3.43Å
272L59.1Low54.2Low6 Ų657.5 Ų57.53%0.03132%0.316CS..PPolyproline II helixtrans-52.1141.9173.7-88.1156.5000111.1R199 G274 M275 T277 V280 F304R199-L272 PolarHBondContact NH2-O 3.43Å; L272-G274 PolarHBondContact O-N 3.08Å; L272-G274 VanDerWaalsContact O-N 3.15Å; L272-M275 HydrophobicContact CB-CB 3.86Å; L272-M275 HydrophobicContact CB-CE 4.26Å; L272-M275 HydrophobicContact CB-CG 4.21Å; L272-M275 HydrophobicContact CB-SD 4.42Å; L272-M275 HydrophobicContact CD1-CE 3.94Å; L272-M275 HydrophobicContact CD1-SD 4.12Å; L272-M275 HydrophobicContact CG-CE 4.49Å; L272-M275 PolarHBondContact O-N 3.21Å; L272-M275 VanDerWaalsContact O-O 3.08Å; L272-T277 WeakPolarHBondContact CB-O 2.82Å; L272-T277 PolarHBondContact N-O 3.25Å; L272-V280 HydrophobicContact CD1-CG2 4.11Å; L272-F304 HydrophobicContact CD2-CD1 4.3Å
273P54.4Low53.5Low13 Ų1364.5 Ų64.58%0.08435%0.346CS..THydrogen-bonded Turntrans-52.2123.9173.1-24.733.4000110.5M171 F203 M275M171-P273 HydrophobicContact CB-CG 4.19Å; M171-P273 HydrophobicContact CG-CG 4.39Å; F203-P273 HydrophobicContact CD2-CB 4.21Å; F203-P273 HydrophobicContact CE2-CB 3.68Å; F203-P273 HydrophobicContact CZ-CB 4.04Å; P273-M275 VanDerWaalsContact C-N 3.27Å; P273-M275 PolarHBondContact O-N 3.05Å
274G56.8Low52.7Low5 Ų565 Ų655%0.05235%0.35CS..THydrogen-bonded Turntrans75.22.3-178.600000116.2F203 W204 L272F203-G274 VanDerWaalsContact CD1-CA 3.49Å; W204-G274 PolarHBondContact NE1-O 2.99Å; L272-G274 PolarHBondContact O-N 3.08Å; L272-G274 VanDerWaalsContact O-N 3.15Å
275M62Low51.4Low75 Ų7570.8 Ų70.837%0.36939%0.389SS..  trans-123.2160.3175.2-56.1-167.7-129.800112.2N271 L272 P273N271-M275 WeakPolarHBondContact CB-O 3.43Å; L272-M275 HydrophobicContact CB-CB 3.86Å; L272-M275 HydrophobicContact CB-CE 4.26Å; L272-M275 HydrophobicContact CB-CG 4.21Å; L272-M275 HydrophobicContact CB-SD 4.42Å; L272-M275 HydrophobicContact CD1-CE 3.94Å; L272-M275 HydrophobicContact CD1-SD 4.12Å; L272-M275 HydrophobicContact CG-CE 4.49Å; L272-M275 PolarHBondContact O-N 3.21Å; L272-M275 VanDerWaalsContact O-O 3.08Å; P273-M275 VanDerWaalsContact C-N 3.27Å; P273-M275 PolarHBondContact O-N 3.05Å
276S51.4Low51Low90 Ų9070.8 Ų70.863%0.62939%0.392SS*.SBendtrans-88.8-6175.755.90000113.8
277T52.6Low50.3Low60 Ų6073.9 Ų73.937%0.36841%0.408SS..  trans-112.2151.8-174.654.70000112.4L272L272-T277 WeakPolarHBondContact CB-O 2.82Å; L272-T277 PolarHBondContact N-O 3.25Å
278T51.6Low50.3Low36 Ų3678 Ų7822%0.22142%0.42CS..SBendtrans-92.1-19.1179.2460000113.1G301T278-G301 PolarHBondContact O-N 2.8Å; T278-G301 VanDerWaalsContact O-N 3.11Å
279H52.3Low50.5Low69 Ų6986 Ų8632%0.31945%0.445SS..EExtended strand (participates in β ladder)trans-139.9142.6-175.7-50.2-77.3000112.5H298H279-H298 AromaticContact ND1-CE1 3.62Å; H279-H298 AromaticContact ND1-NE2 3.91Å
280V51.7Low50.7Low56 Ų5686.2 Ų86.234%0.33945%0.445SS..EExtended strand (participates in β ladder)trans-113.9113.9166.2-178.40000108L272 V282 I299L272-V280 HydrophobicContact CD1-CG2 4.11Å; V280-V282 HydrophobicContact CG1-CG2 4.04Å; V280-I299 HydrophobicContact CB-CB 4.48Å; V280-I299 PolarHBondContact N-O 3.5Å; V280-I299 PolarHBondContact O-N 2.81Å; V280-I299 VanDerWaalsContact O-N 3.1Å
281K53.2Low50.4Low142 Ų14288.5 Ų88.562%0.61746%0.455SS*.EExtended strand (participates in β ladder)trans-99.8104.9176.6-63.7-171.8-179.4175.50109H298K281-H298 WeakPolarHBondContact CE-NE2 3.47Å
282V49.8Very low49.7Very low66 Ų6695 Ų9540%0.448%0.48SS..EExtended strand (participates in β ladder)trans-94.2114.7174.4-176.30000108.5V280 L284 I297V280-V282 HydrophobicContact CG1-CG2 4.04Å; V282-L284 HydrophobicContact CG1-CD1 4.34Å; V282-I297 PolarHBondContact N-O 3.31Å; V282-I297 PolarHBondContact O-N 2.82Å
283K48.2Very low49.1Very low160 Ų160102.2 Ų102.270%0.69651%0.514SS*.EExtended strand (participates in β ladder)trans-89.8115.9173.9-63.9-178-178178.20108.6
284L45.9Very low48.8Very low81 Ų81109.1 Ų109.142%0.42455%0.545SS..  trans-85.6137.9170.7-8292.6000110.5V282 V286 I297V282-L284 HydrophobicContact CG1-CD1 4.34Å; L284-V286 HydrophobicContact CB-CG2 4.4Å; L284-V286 PolarHBondContact O-N 2.82Å; L284-I297 HydrophobicContact CD1-CD1 3.31Å; L284-I297 HydrophobicContact CD1-CG1 3.82Å
285P37.8Very low48.5Very low134 Ų134110.5 Ų110.587%0.8755%0.549SS*.  trans-73.894.8172.129.5-31.1000109.1
286V45.3Very low48.3Very low58 Ų58110.2 Ų110.235%0.35255%0.546SS..  trans-92.7134.5173.6-171.60000109.8L284 K288 F291L284-V286 HydrophobicContact CB-CG2 4.4Å; L284-V286 PolarHBondContact O-N 2.82Å; V286-K288 PolarHBondContact O-N 3.35Å; V286-K288 VanDerWaalsContact O-N 3.11Å; V286-F291 HydrophobicContact CG1-CB 3.91Å; V286-F291 HydrophobicContact CG1-CD2 3.69Å; V286-F291 HydrophobicContact CG1-CG 4.14Å
287C38.6Very low48.7Very low97 Ų97107 Ų10766%0.65552%0.522SS*.  trans-60.3112.2174.1-147.40000109.3R289 I290C287-R289 PolarHBondContact O-N 2.89Å; C287-I290 PolarHBondContact O-N 2.79Å
288K46.7Very low49Very low206 Ų206106.3 Ų106.390%0.89652%0.515SS*.THydrogen-bonded Turntrans-54.2-6.5-175.3-72.2-174.5175.3-176.20115.8V286V286-K288 PolarHBondContact O-N 3.35Å; V286-K288 VanDerWaalsContact O-N 3.11Å
289R49.1Very low49.6Very low239 Ų239106 Ų10690%0.90251%0.511SS*.THydrogen-bonded Turntrans-87.8-18.5-176.6-150.5174.4-176.7174.60.5113.8C287C287-R289 PolarHBondContact O-N 2.89Å
290I50.8Low50.2Low138 Ų138103 Ų10371%0.70850%0.498SS*.THydrogen-bonded Turntrans-114.1-36.9-174.3-62.8175.3000112.5C287C287-I290 PolarHBondContact O-N 2.79Å
291F45.5Very low50.8Low73 Ų73100.7 Ų100.732%0.3249%0.485SS..  trans-112.8121.5177.5-74.3-87.7000110.1L82 F86 V286 E293L82-F291 HydrophobicContact CD1-CZ 4.01Å; L82-F291 HydrophobicContact CD2-CE1 3.9Å; L82-F291 HydrophobicContact CD2-CE2 4.46Å; L82-F291 HydrophobicContact CD2-CZ 3.54Å; L82-F291 HydrophobicContact CG-CZ 4.46Å; F86-F291 HydrophobicContact CE2-CE1 4.29Å; V286-F291 HydrophobicContact CG1-CB 3.91Å; V286-F291 HydrophobicContact CG1-CD2 3.69Å; V286-F291 HydrophobicContact CG1-CG 4.14Å; F291-E293 VanDerWaalsContact C-N 3.34Å
292K41.5Very low51.7Low192 Ų19296 Ų9684%0.83547%0.465SS*.SBendtrans-83.4-11-176-147.4179.3-177.9-172.90112.9
293E45.6Very low52.9Low156 Ų15693.4 Ų93.473%0.72945%0.448SS*.SBendtrans-116.4142177.9-67.8-178.317900110.2F291 Y295F291-E293 VanDerWaalsContact C-N 3.34Å; E293-Y295 PolarHBondContact O-N 3.46Å
294E48.6Very low54.1Low159 Ų15989.3 Ų89.374%0.74343%0.43SS*.  trans-64.3119.8174.5-67.9-176.5164.900110H296E294-H296 VanDerWaalsContact CB-NE2 3.29Å; E294-H296 WeakPolarHBondContact CB-NE2 3.09Å; E294-H296 PolarHBondContact O-CD2 2.84Å; E294-H296 VanDerWaalsContact O-CD2 3.29Å; E294-H296 PolarHBondContact O-N 3.41Å; E294-H296 IonicContact OE2-CE1 3.58Å; E294-H296 PolarHBondContact OE2-CE1 3.47Å; E294-H296 IonicContact OE2-NE2 2.76Å; E294-H296 PolarHBondContact OE2-NE2 3.43Å
295Y50.5Low55.6Low33 Ų3386 Ų8613%0.12941%0.413CS..  trans-79.893.7179.7-155.6-90.5000110L82 K85 F86 M112 E293 I297L82-Y295 HydrophobicContact CD2-CE2 4.44Å; K85-Y295 WeakPolarHBondContact CB-OH 3.48Å; K85-Y295 HydrophobicContact CD-CD2 4.47Å; K85-Y295 HydrophobicContact CD-CE1 4.28Å; K85-Y295 HydrophobicContact CD-CE2 3.55Å; K85-Y295 VanDerWaalsContact CD-CZ 3.44Å; K85-Y295 WeakPolarHBondContact CD-OH 3.26Å; F86-Y295 HydrophobicContact CE2-CE2 4.28Å; F86-Y295 HydrophobicContact CZ-CE2 4.42Å; M112-Y295 HydrophobicContact SD-CE1 4.36Å; M112-Y295 PolarHBondContact SD-OH 3.42Å; E293-Y295 PolarHBondContact O-N 3.46Å; Y295-I297 HydrophobicContact CD1-CG1 3.99Å; Y295-I297 HydrophobicContact CE1-CD1 4.25Å; Y295-I297 HydrophobicContact CE1-CG1 3.83Å
296H57.1Low57.6Low69 Ų6980 Ų8032%0.31937%0.373SS..EExtended strand (participates in β ladder)trans-89.3121.2172-63.7-78.2000109.2K85 E294K85-H296 PolarHBondContact NZ-O 2.86Å; E294-H296 VanDerWaalsContact CB-NE2 3.29Å; E294-H296 WeakPolarHBondContact CB-NE2 3.09Å; E294-H296 PolarHBondContact O-CD2 2.84Å; E294-H296 VanDerWaalsContact O-CD2 3.29Å; E294-H296 PolarHBondContact O-N 3.41Å; E294-H296 IonicContact OE2-CE1 3.58Å; E294-H296 PolarHBondContact OE2-CE1 3.47Å; E294-H296 IonicContact OE2-NE2 2.76Å; E294-H296 PolarHBondContact OE2-NE2 3.43Å
297I59.5Low59.3Low23 Ų2377.5 Ų77.512%0.11836%0.359CS..EExtended strand (participates in β ladder)trans-90.3105.4164.3-58.9-173.4000106.5M112 V282 L284 Y295 I299M112-I297 HydrophobicContact CE-CD1 4.44Å; M112-I297 HydrophobicContact CE-CG1 4.36Å; M112-I297 HydrophobicContact CE-CG2 4.12Å; V282-I297 PolarHBondContact N-O 3.31Å; V282-I297 PolarHBondContact O-N 2.82Å; L284-I297 HydrophobicContact CD1-CD1 3.31Å; L284-I297 HydrophobicContact CD1-CG1 3.82Å; Y295-I297 HydrophobicContact CD1-CG1 3.99Å; Y295-I297 HydrophobicContact CE1-CD1 4.25Å; Y295-I297 HydrophobicContact CE1-CG1 3.83Å; I297-I299 HydrophobicContact CG2-CD1 4.32Å; I297-I299 HydrophobicContact CG2-CG1 3.86Å
298H60.4Low61.5Low46 Ų4674.5 Ų74.521%0.21334%0.336CS..EExtended strand (participates in β ladder)trans-90.1105.1175-159.9-116.2000109.4D105 H279 K281 T300D105-H298 HydrophobicContact CB-CB 3.93Å; H279-H298 AromaticContact ND1-CE1 3.62Å; H279-H298 AromaticContact ND1-NE2 3.91Å; K281-H298 WeakPolarHBondContact CE-NE2 3.47Å; H298-T300 WeakPolarHBondContact ND1-CG2 3.32Å
299I62.8Low63.3Low28 Ų2864.9 Ų64.914%0.14429%0.294CS..EExtended strand (participates in β ladder)trans-98.4100.2172.1-52.2179.9000107.2W109 V280 I297 F304W109-I299 HydrophobicContact CB-CG1 4.32Å; W109-I299 HydrophobicContact CG-CD1 4.3Å; W109-I299 HydrophobicContact CG-CG1 4.24Å; V280-I299 HydrophobicContact CB-CB 4.48Å; V280-I299 PolarHBondContact N-O 3.5Å; V280-I299 PolarHBondContact O-N 2.81Å; V280-I299 VanDerWaalsContact O-N 3.1Å; I297-I299 HydrophobicContact CG2-CD1 4.32Å; I297-I299 HydrophobicContact CG2-CG1 3.86Å; I299-F304 HydrophobicContact CG2-CB 3.89Å; I299-F304 HydrophobicContact CG2-CD2 4.21Å; I299-F304 HydrophobicContact CG2-CG 4.42Å
300T66.3Low65.1Low7 Ų756 Ų564%0.04326%0.262CS..EExtended strand (participates in β ladder)trans-75.713916960.20000109.5H298 K302 W303 F304H298-T300 WeakPolarHBondContact ND1-CG2 3.32Å; T300-K302 VanDerWaalsContact C-N 3.25Å; T300-K302 PolarHBondContact O-N 3.47Å; T300-W303 PolarHBondContact O-N 3.45Å; T300-W303 VanDerWaalsContact O-N 3.14Å; T300-W303 WeakPolarHBondContact OG1-CB 3.37Å; T300-W303 VanDerWaalsContact OG1-CD1 3.22Å; T300-F304 PolarHBondContact O-N 3.14Å; T300-F304 VanDerWaalsContact O-N 3.1Å
301G64.3Low66.8Low7 Ų752.7 Ų52.77%0.07225%0.245CC..Hα-helixtrans-57.5-35.7-175.500000114.9T278 F304 N305T278-G301 PolarHBondContact O-N 2.8Å; T278-G301 VanDerWaalsContact O-N 3.11Å; G301-F304 WeakPolarHBondContact O-CB 3.42Å; G301-F304 PolarHBondContact O-N 3.21Å; G301-N305 VanDerWaalsContact O-CG 3.28Å; G301-N305 PolarHBondContact O-N 3.26Å; G301-N305 VanDerWaalsContact O-N 3.11Å; G301-N305 PolarHBondContact O-ND2 2.86Å; G301-N305 PolarHBondContact O-OD1 3.41Å
302K71.7Confident68.8Low44 Ų4449.3 Ų49.319%0.19123%0.231CC..Hα-helixtrans-62-49.2175.5-69.8-179.1172-174.30113.2E260 G266 T300 F304 N305 Y306E260-K302 IonicContact OE1-NZ 3.71Å; E260-K302 PolarHBondContact OE1-NZ 3.19Å; E260-K302 IonicContact OE2-NZ 3.94Å; E260-K302 PolarHBondContact OE2-NZ 2.99Å; G266-K302 PolarHBondContact O-NZ 3.45Å; T300-K302 VanDerWaalsContact C-N 3.25Å; T300-K302 PolarHBondContact O-N 3.47Å; K302-F304 VanDerWaalsContact C-N 3.29Å; K302-F304 PolarHBondContact O-N 2.97Å; K302-N305 PolarHBondContact O-N 3.28Å; K302-N305 VanDerWaalsContact O-N 3.14Å; K302-Y306 HydrophobicContact CB-CD2 4.48Å; K302-Y306 HydrophobicContact CB-CE2 4.46Å; K302-Y306 WeakPolarHBondContact O-CD2 3.14Å; K302-Y306 PolarHBondContact O-N 3.31Å
303W74.3Confident71Confident11 Ų1141 Ų414%0.04220%0.195CC..Hα-helixtrans-68.9-27.2179.2-81.297.9000113.7M101 F102 H106 G107 M110 F264 T300 G307M101-W303 HydrophobicContact CB-CH2 4.08Å; M101-W303 HydrophobicContact CB-CZ2 3.78Å; M101-W303 HydrophobicContact CG-CH2 3.71Å; M101-W303 HydrophobicContact CG-CZ2 3.89Å; M101-W303 WeakPolarHBondContact O-CZ2 3.24Å; M101-W303 HydrophobicContact SD-CH2 3.58Å; M101-W303 VanDerWaalsContact SD-CH2 3.58Å; M101-W303 HydrophobicContact SD-CZ2 4.26Å; F102-W303 HydrophobicContact CD1-CH2 4.38Å; F102-W303 AromaticContact CE1-CH2 3.96Å; F102-W303 HydrophobicContact CE1-CH2 3.96Å; F102-W303 HydrophobicContact CE1-CZ3 4.18Å; F102-W303 HydrophobicContact CZ-CH2 4.19Å; F102-W303 HydrophobicContact CZ-CZ3 4.49Å; H106-W303 AromaticContact ND1-CD1 3.79Å; H106-W303 AromaticContact ND1-NE1 3.93Å; G107-W303 VanDerWaalsContact N-CG 3.33Å; M110-W303 HydrophobicContact CE-CE3 4.42Å; M110-W303 HydrophobicContact CE-CZ3 3.72Å; M110-W303 HydrophobicContact SD-CE3 4.46Å; M110-W303 HydrophobicContact SD-CZ3 4.21Å; F264-W303 HydrophobicContact CB-CZ2 4.34Å; T300-W303 PolarHBondContact O-N 3.45Å; T300-W303 VanDerWaalsContact O-N 3.14Å; T300-W303 WeakPolarHBondContact OG1-CB 3.37Å; T300-W303 VanDerWaalsContact OG1-CD1 3.22Å; W303-G307 PolarHBondContact O-N 3.43Å
304F74.6Confident73Confident75 Ų7537.5 Ų37.533%0.32918%0.181SC..Hα-helixtrans-62.5-48168.5-178-103.1000110.6L272 I299 T300 G301 K302 G307 I308L272-F304 HydrophobicContact CD2-CD1 4.3Å; I299-F304 HydrophobicContact CG2-CB 3.89Å; I299-F304 HydrophobicContact CG2-CD2 4.21Å; I299-F304 HydrophobicContact CG2-CG 4.42Å; T300-F304 PolarHBondContact O-N 3.14Å; T300-F304 VanDerWaalsContact O-N 3.1Å; G301-F304 WeakPolarHBondContact O-CB 3.42Å; G301-F304 PolarHBondContact O-N 3.21Å; K302-F304 VanDerWaalsContact C-N 3.29Å; K302-F304 PolarHBondContact O-N 2.97Å; F304-G307 PolarHBondContact O-N 2.86Å; F304-I308 HydrophobicContact CD1-CD1 4.04Å; F304-I308 HydrophobicContact CE1-CD1 3.59Å; F304-I308 HydrophobicContact CZ-CD1 4.04Å; F304-I308 PolarHBondContact O-N 3.37Å
305N76.6Confident74.8Confident10 Ų1032.4 Ų32.45%0.05316%0.158CC..Hα-helixtrans-66-44.7178.9-60.7-19.3000112.8M171 G301 K302 G307 I308 I309M171-N305 HydrophobicContact CG-CB 4.43Å; M171-N305 WeakPolarHBondContact CG-ND2 3.43Å; M171-N305 HydrophobicContact SD-CB 3.27Å; M171-N305 WeakPolarHBondContact SD-CB 3.49Å; M171-N305 PolarHBondContact SD-ND2 3.22Å; G301-N305 VanDerWaalsContact O-CG 3.28Å; G301-N305 PolarHBondContact O-N 3.26Å; G301-N305 VanDerWaalsContact O-N 3.11Å; G301-N305 PolarHBondContact O-ND2 2.86Å; G301-N305 PolarHBondContact O-OD1 3.41Å; K302-N305 PolarHBondContact O-N 3.28Å; K302-N305 VanDerWaalsContact O-N 3.14Å; N305-G307 PolarHBondContact O-N 2.99Å; N305-I308 WeakPolarHBondContact O-CB 3.42Å; N305-I308 PolarHBondContact O-N 2.97Å; N305-I309 WeakPolarHBondContact O-CG1 3.45Å; N305-I309 PolarHBondContact O-N 2.83Å
306Y79.8Confident76.6Confident10 Ų1031.1 Ų31.14%0.03915%0.154CC..Hα-helixtrans-60.5-36.8173.2-76.2-61.7000111.7V255 D258 F264 K302 I308 I309 F310V255-Y306 HydrophobicContact CG1-CE1 4.27Å; D258-Y306 VanDerWaalsContact CB-OH 3.32Å; D258-Y306 WeakPolarHBondContact CB-OH 3.42Å; D258-Y306 PolarHBondContact OD1-OH 2.94Å; D258-Y306 PolarHBondContact OD2-OH 3.49Å; F264-Y306 HydrophobicContact CD1-CD2 4.26Å; F264-Y306 HydrophobicContact CD1-CE1 4.22Å; F264-Y306 AromaticContact CD1-CE2 3.53Å; F264-Y306 HydrophobicContact CD1-CE2 3.53Å; F264-Y306 AromaticContact CD1-CZ 3.51Å; F264-Y306 HydrophobicContact CE1-CD1 4.3Å; F264-Y306 HydrophobicContact CE1-CD2 4.47Å; F264-Y306 AromaticContact CE1-CE1 3.59Å; F264-Y306 HydrophobicContact CE1-CE1 3.59Å; F264-Y306 AromaticContact CE1-CE2 3.79Å; F264-Y306 HydrophobicContact CE1-CE2 3.79Å; F264-Y306 AromaticContact CE1-CZ 3.3Å; F264-Y306 WeakPolarHBondContact CE1-OH 3.04Å; F264-Y306 HydrophobicContact CZ-CE1 4.37Å; K302-Y306 HydrophobicContact CB-CD2 4.48Å; K302-Y306 HydrophobicContact CB-CE2 4.46Å; K302-Y306 WeakPolarHBondContact O-CD2 3.14Å; K302-Y306 PolarHBondContact O-N 3.31Å; Y306-I308 VanDerWaalsContact C-N 3.3Å; Y306-I308 PolarHBondContact O-N 3.37Å; Y306-I309 HydrophobicContact CD1-CD1 4.13Å; Y306-I309 HydrophobicContact CE1-CD1 4.47Å; Y306-I309 PolarHBondContact O-N 3.28Å; Y306-F310 WeakPolarHBondContact O-CD2 3.36Å; Y306-F310 PolarHBondContact O-N 2.93Å
307G81.9Confident78.1Confident5 Ų531.2 Ų31.25%0.05216%0.156CC..Hα-helixtrans-58.8-39.8172.800000112.9W303 F304 N305 L311W303-G307 PolarHBondContact O-N 3.43Å; F304-G307 PolarHBondContact O-N 2.86Å; N305-G307 PolarHBondContact O-N 2.99Å; G307-L311 WeakPolarHBondContact O-CB 3.4Å; G307-L311 PolarHBondContact O-N 2.94Å
308I83.8Confident79.4Confident34 Ų3431.9 Ų31.917%0.17416%0.16CC..Hα-helixtrans-64.7-47.5173.7-65.1170.5000110.5V167 F304 N305 Y306 F310 L311 V312V167-I308 HydrophobicContact CG1-CD1 3.81Å; F304-I308 HydrophobicContact CD1-CD1 4.04Å; F304-I308 HydrophobicContact CE1-CD1 3.59Å; F304-I308 HydrophobicContact CZ-CD1 4.04Å; F304-I308 PolarHBondContact O-N 3.37Å; N305-I308 WeakPolarHBondContact O-CB 3.42Å; N305-I308 PolarHBondContact O-N 2.97Å; Y306-I308 VanDerWaalsContact C-N 3.3Å; Y306-I308 PolarHBondContact O-N 3.37Å; I308-F310 VanDerWaalsContact C-N 3.33Å; I308-F310 PolarHBondContact O-N 2.86Å; I308-L311 WeakPolarHBondContact O-CB 3.44Å; I308-L311 PolarHBondContact O-N 2.75Å; I308-L311 VanDerWaalsContact O-N 3.08Å; I308-V312 HydrophobicContact CG2-CG2 4.46Å; I308-V312 WeakPolarHBondContact O-CG2 3.33Å; I308-V312 PolarHBondContact O-N 2.88Å
309I85.3Confident80.6Confident4 Ų431 Ų312%0.02116%0.156CC..Hα-helixtrans-58.9-45178.1-63167.6000111T168 M171 I254 V255 N305 Y306 L311 V312 L313T168-I309 HydrophobicContact CG2-CD1 3.9Å; T168-I309 HydrophobicContact CG2-CG1 3.7Å; T168-I309 WeakPolarHBondContact OG1-CG1 3.26Å; M171-I309 HydrophobicContact CE-CD1 3.8Å; I254-I309 HydrophobicContact CG2-CD1 4.38Å; V255-I309 HydrophobicContact CG2-CG2 3.66Å; N305-I309 WeakPolarHBondContact O-CG1 3.45Å; N305-I309 PolarHBondContact O-N 2.83Å; Y306-I309 HydrophobicContact CD1-CD1 4.13Å; Y306-I309 HydrophobicContact CE1-CD1 4.47Å; Y306-I309 PolarHBondContact O-N 3.28Å; I309-L311 VanDerWaalsContact C-N 3.29Å; I309-L311 PolarHBondContact O-N 2.82Å; I309-V312 PolarHBondContact O-N 3.37Å; I309-L313 WeakPolarHBondContact O-CB 3.36Å; I309-L313 PolarHBondContact O-N 3.1Å
310F85.9Confident81.8Confident51 Ų5131.1 Ų31.122%0.22416%0.155CC..Hα-helixtrans-63.4-34.9176.2-84.9-68.5000112.7M110 F114 Y306 I308 L313 I314 F408M110-F310 HydrophobicContact CE-CD2 4.4Å; M110-F310 HydrophobicContact CE-CE2 4.45Å; M110-F310 HydrophobicContact SD-CB 4.38Å; M110-F310 HydrophobicContact SD-CD2 3.54Å; M110-F310 VanDerWaalsContact SD-CD2 3.54Å; M110-F310 HydrophobicContact SD-CE2 4.12Å; M110-F310 HydrophobicContact SD-CG 4.15Å; F114-F310 HydrophobicContact CE2-CB 4.5Å; F114-F310 HydrophobicContact CZ-CB 4.38Å; Y306-F310 WeakPolarHBondContact O-CD2 3.36Å; Y306-F310 PolarHBondContact O-N 2.93Å; I308-F310 VanDerWaalsContact C-N 3.33Å; I308-F310 PolarHBondContact O-N 2.86Å; F310-L313 HydrophobicContact CD1-CD2 4.37Å; F310-I314 WeakPolarHBondContact O-CD1 3.36Å; F310-I314 VanDerWaalsContact O-CG1 3.28Å; F310-I314 WeakPolarHBondContact O-CG1 3.35Å; F310-I314 PolarHBondContact O-N 3.48Å; F310-I314 VanDerWaalsContact O-N 3.15Å; F310-F408 HydrophobicContact CZ-CZ 4.49Å
311L86.4Confident82.8Confident69 Ų6934 Ų3436%0.36117%0.167SC..Hα-helixtrans-67.6-45.1176.2-172.2151.1000111F113 G307 I308 I309 I314 L315F113-L311 HydrophobicContact CE1-CD1 4.08Å; F113-L311 HydrophobicContact CZ-CD1 4.11Å; G307-L311 WeakPolarHBondContact O-CB 3.4Å; G307-L311 PolarHBondContact O-N 2.94Å; I308-L311 WeakPolarHBondContact O-CB 3.44Å; I308-L311 PolarHBondContact O-N 2.75Å; I308-L311 VanDerWaalsContact O-N 3.08Å; I309-L311 VanDerWaalsContact C-N 3.29Å; I309-L311 PolarHBondContact O-N 2.82Å; L311-I314 PolarHBondContact O-N 2.95Å; L311-L315 HydrophobicContact CD2-CD1 3.75Å; L311-L315 HydrophobicContact CD2-CG 4.26Å; L311-L315 WeakPolarHBondContact O-CG 3.34Å; L311-L315 PolarHBondContact O-N 3.36Å; L311-L315 VanDerWaalsContact O-N 3.09Å
312V87.4Confident84Confident3 Ų334.3 Ų34.32%0.01817%0.167CC..Hα-helixtrans-58.7-49.5173.8172.30000110.5T161 D165 I308 I309 I314 L315 D316T161-V312 HydrophobicContact CG2-CG1 4.42Å; D165-V312 WeakPolarHBondContact OD1-CG1 3.39Å; I308-V312 HydrophobicContact CG2-CG2 4.46Å; I308-V312 WeakPolarHBondContact O-CG2 3.33Å; I308-V312 PolarHBondContact O-N 2.88Å; I309-V312 PolarHBondContact O-N 3.37Å; V312-I314 PolarHBondContact O-N 3.45Å; V312-I314 VanDerWaalsContact O-N 3.12Å; V312-L315 CarbonylContact O-C 3.04Å; V312-L315 WeakPolarHBondContact O-CA 3.24Å; V312-L315 WeakPolarHBondContact O-CB 3.3Å; V312-L315 PolarHBondContact O-N 3.27Å; V312-D316 PolarHBondContact O-N 3.14Å
313L88.7Confident84.7Confident17 Ų1732.2 Ų32.29%0.08916%0.158CC..Hα-helixtrans-55.3-36.2178.1-176.972.7000112.6L248 D251 I309 F310 L317 F405L248-L313 HydrophobicContact CD2-CD1 3.8Å; D251-L313 HydrophobicContact CB-CD1 3.64Å; I309-L313 WeakPolarHBondContact O-CB 3.36Å; I309-L313 PolarHBondContact O-N 3.1Å; F310-L313 HydrophobicContact CD1-CD2 4.37Å; L313-L317 VanDerWaalsContact O-CB 3.28Å; L313-L317 WeakPolarHBondContact O-CB 3.4Å; L313-L317 PolarHBondContact O-N 3.29Å; L313-F405 HydrophobicContact CD1-CZ 4.3Å; L313-F405 HydrophobicContact CD2-CE1 4.21Å; L313-F405 HydrophobicContact CD2-CZ 4.37Å
314I87.5Confident85.3Confident83 Ų8331.8 Ų31.843%0.42616%0.157SC..Hα-helixtrans-72.4-38.2176.5-70165.6000111.6F114 F310 L311 V312 D316 L317 N318F114-I314 HydrophobicContact CD1-CD1 4.29Å; F114-I314 HydrophobicContact CE1-CD1 3.26Å; F114-I314 HydrophobicContact CZ-CD1 3.5Å; F114-I314 VanDerWaalsContact CZ-CD1 3.5Å; F310-I314 WeakPolarHBondContact O-CD1 3.36Å; F310-I314 VanDerWaalsContact O-CG1 3.28Å; F310-I314 WeakPolarHBondContact O-CG1 3.35Å; F310-I314 PolarHBondContact O-N 3.48Å; F310-I314 VanDerWaalsContact O-N 3.15Å; L311-I314 PolarHBondContact O-N 2.95Å; V312-I314 PolarHBondContact O-N 3.45Å; V312-I314 VanDerWaalsContact O-N 3.12Å; I314-D316 VanDerWaalsContact C-N 3.34Å; I314-L317 PolarHBondContact O-N 3.32Å; I314-N318 PolarHBondContact O-N 3.35Å
315L87.1Confident86Confident51 Ų5133.5 Ų33.527%0.26716%0.164SC..Hα-helixtrans-63.8-42.6173.7-67.9176.3000110.8L311 V312 L317 N318 M319L311-L315 HydrophobicContact CD2-CD1 3.75Å; L311-L315 HydrophobicContact CD2-CG 4.26Å; L311-L315 WeakPolarHBondContact O-CG 3.34Å; L311-L315 PolarHBondContact O-N 3.36Å; L311-L315 VanDerWaalsContact O-N 3.09Å; V312-L315 CarbonylContact O-C 3.04Å; V312-L315 WeakPolarHBondContact O-CA 3.24Å; V312-L315 WeakPolarHBondContact O-CB 3.3Å; V312-L315 PolarHBondContact O-N 3.27Å; L315-L317 VanDerWaalsContact C-N 3.33Å; L315-L317 PolarHBondContact O-N 2.88Å; L315-N318 CarbonylContact O-C 3.55Å; L315-N318 WeakPolarHBondContact O-CB 3.21Å; L315-N318 PolarHBondContact O-N 3.01Å; L315-N318 VanDerWaalsContact O-N 3.14Å; L315-M319 PolarHBondContact O-N 3.14Å
316D87.9Confident86.6Confident7 Ų733 Ų334%0.03716%0.161CC..Hα-helixtrans-70.5-31.7178.7-70.5-1.6000111.4N28 I247 L248 V312 I314 N318 M319 W320N28-D316 PolarHBondContact ND2-OD2 3.42Å; N28-D316 VanDerWaalsContact ND2-OD2 3.09Å; N28-D316 PolarHBondContact OD1-OD2 2.87Å; I247-D316 HydrophobicContact CG2-CB 4.17Å; I247-D316 WeakPolarHBondContact CG2-OD2 3.31Å; L248-D316 HydrophobicContact CD2-CB 3.98Å; V312-D316 PolarHBondContact O-N 3.14Å; I314-D316 VanDerWaalsContact C-N 3.34Å; D316-N318 VanDerWaalsContact C-N 3.34Å; D316-M319 WeakPolarHBondContact O-CB 3.16Å; D316-M319 PolarHBondContact O-N 2.57Å; D316-W320 WeakPolarHBondContact O-CB 3.22Å; D316-W320 PolarHBondContact O-N 2.95Å
317L87.6Confident87.1Confident71 Ų7137.6 Ų37.637%0.37218%0.181SC..Hα-helixtrans-66-38.4170.8-17268.8000111.5L248 L313 I314 L315 W320 K321L248-L317 HydrophobicContact CD1-CD1 3.98Å; L248-L317 HydrophobicContact CD2-CB 4.2Å; L248-L317 HydrophobicContact CD2-CD1 4.47Å; L313-L317 VanDerWaalsContact O-CB 3.28Å; L313-L317 WeakPolarHBondContact O-CB 3.4Å; L313-L317 PolarHBondContact O-N 3.29Å; I314-L317 PolarHBondContact O-N 3.32Å; L315-L317 VanDerWaalsContact C-N 3.33Å; L315-L317 PolarHBondContact O-N 2.88Å; L317-W320 HydrophobicContact CD1-CE3 4.14Å; L317-K321 WeakPolarHBondContact O-CB 3.27Å; L317-K321 PolarHBondContact O-N 3.45Å
318N87Confident87.5Confident36 Ų3637.8 Ų37.819%0.19318%0.182CC..Hα-helixtrans-68.1-40.7174.2-17872.6000111.5I314 L315 D316 K321 N322I314-N318 PolarHBondContact O-N 3.35Å; L315-N318 CarbonylContact O-C 3.55Å; L315-N318 WeakPolarHBondContact O-CB 3.21Å; L315-N318 PolarHBondContact O-N 3.01Å; L315-N318 VanDerWaalsContact O-N 3.14Å; D316-N318 VanDerWaalsContact C-N 3.34Å; N318-K321 PolarHBondContact O-N 3.22Å; N318-N322 WeakPolarHBondContact O-CB 3.45Å; N318-N322 PolarHBondContact O-N 3.34Å; N318-N322 PolarHBondContact O-OD1 3.26Å
319M85.8Confident87.8Confident27 Ų2739.4 Ų39.413%0.13319%0.186CC..Hα-helixtrans-59.4-48.2172.6178.162.282.400111I31 M154 L315 D316 K321 N322 Q323I31-M319 HydrophobicContact CG1-CG 4.27Å; I31-M319 HydrophobicContact CG1-SD 4.45Å; M154-M319 HydrophobicContact CE-CE 3.47Å; M154-M319 VanDerWaalsContact CE-CE 3.47Å; M154-M319 HydrophobicContact CE-SD 4.22Å; L315-M319 PolarHBondContact O-N 3.14Å; D316-M319 WeakPolarHBondContact O-CB 3.16Å; D316-M319 PolarHBondContact O-N 2.57Å; M319-K321 PolarHBondContact O-N 3.38Å; M319-N322 WeakPolarHBondContact O-CB 3.48Å; M319-N322 PolarHBondContact O-N 3.27Å; M319-N322 VanDerWaalsContact O-N 3.12Å; M319-Q323 WeakPolarHBondContact O-CG 3.48Å; M319-Q323 PolarHBondContact O-N 3.28Å
320W87.8Confident87.9Confident31 Ų3144 Ų4412%0.11721%0.208CC..Hα-helixtrans-58.3-47.1176.8173.881.9000112.2A244 L248 D316 L317 N322 Q323 I324 F398A244-W320 HydrophobicContact CB-CB 4Å; A244-W320 HydrophobicContact CB-CG 4.37Å; L248-W320 HydrophobicContact CD1-CB 3.68Å; L248-W320 HydrophobicContact CD1-CD2 4.22Å; L248-W320 HydrophobicContact CD1-CG 3.71Å; D316-W320 WeakPolarHBondContact O-CB 3.22Å; D316-W320 PolarHBondContact O-N 2.95Å; L317-W320 HydrophobicContact CD1-CE3 4.14Å; W320-N322 VanDerWaalsContact C-N 3.29Å; W320-N322 PolarHBondContact O-N 3.23Å; W320-Q323 PolarHBondContact O-N 2.69Å; W320-I324 HydrophobicContact CD2-CG1 4.21Å; W320-I324 HydrophobicContact CH2-CG1 4.29Å; W320-I324 HydrophobicContact CZ2-CD1 4.07Å; W320-I324 HydrophobicContact CZ2-CG1 3.67Å; W320-I324 WeakPolarHBondContact O-CG1 3.5Å; W320-I324 PolarHBondContact O-N 3.39Å; W320-F398 HydrophobicContact CH2-CB 4.4Å; W320-F398 AromaticContact CH2-CD2 3.24Å; W320-F398 HydrophobicContact CH2-CD2 3.24Å; W320-F398 AromaticContact CH2-CE2 3.58Å; W320-F398 HydrophobicContact CH2-CE2 3.58Å; W320-F398 AromaticContact CH2-CG 3.93Å; W320-F398 HydrophobicContact CH2-CG 3.93Å; W320-F398 HydrophobicContact CZ2-CB 3.81Å; W320-F398 AromaticContact CZ2-CD2 3.17Å; W320-F398 HydrophobicContact CZ2-CD2 3.17Å; W320-F398 AromaticContact CZ2-CE2 3.96Å; W320-F398 HydrophobicContact CZ2-CE2 3.96Å; W320-F398 AromaticContact CZ2-CG 3.77Å; W320-F398 HydrophobicContact CZ2-CG 3.77Å; W320-F398 HydrophobicContact CZ3-CD2 4.14Å; W320-F398 HydrophobicContact CZ3-CE2 4.1Å
321K88.3Confident88Confident67 Ų6743.3 Ų43.329%0.29120%0.204SC..Hα-helixtrans-55.1-47.2174.1177.4-142.7169.1-162.50110.6L317 N318 M319 Q323 I324 F325L317-K321 WeakPolarHBondContact O-CB 3.27Å; L317-K321 PolarHBondContact O-N 3.45Å; N318-K321 PolarHBondContact O-N 3.22Å; M319-K321 PolarHBondContact O-N 3.38Å; K321-Q323 VanDerWaalsContact C-N 3.31Å; K321-Q323 PolarHBondContact O-N 3.19Å; K321-I324 PolarHBondContact O-N 3.21Å; K321-F325 HydrophobicContact CG-CD2 3.9Å; K321-F325 HydrophobicContact CG-CE2 4.29Å; K321-F325 WeakPolarHBondContact O-CD2 3.39Å; K321-F325 PolarHBondContact O-N 3.41Å
322N87.7Confident88.1Confident15 Ų1540 Ų408%0.0819%0.186CC..Hα-helixtrans-61.1-39.6-179.6-74.4-5.7000111.9I37 N318 M319 W320 Y326I37-N322 HydrophobicContact CD1-CB 3.7Å; N318-N322 WeakPolarHBondContact O-CB 3.45Å; N318-N322 PolarHBondContact O-N 3.34Å; N318-N322 PolarHBondContact O-OD1 3.26Å; M319-N322 WeakPolarHBondContact O-CB 3.48Å; M319-N322 PolarHBondContact O-N 3.27Å; M319-N322 VanDerWaalsContact O-N 3.12Å; W320-N322 VanDerWaalsContact C-N 3.29Å; W320-N322 PolarHBondContact O-N 3.23Å; N322-Y326 VanDerWaalsContact O-CA 3.3Å; N322-Y326 WeakPolarHBondContact O-CA 3.31Å; N322-Y326 VanDerWaalsContact O-CB 3.23Å; N322-Y326 WeakPolarHBondContact O-CB 3.2Å; N322-Y326 PolarHBondContact O-N 3.49Å
323Q88.3Confident88.3Confident0 Ų039.9 Ų39.90%019%0.186CC..Hα-helixtrans-68-40.8177-64.7-50.6-44.400113.1I31 D35 R240 A244 M319 W320 K321 Y326I31-Q323 HydrophobicContact CD1-CG 4.38Å; D35-Q323 PolarHBondContact OD1-NE2 2.83Å; D35-Q323 PolarHBondContact OD2-NE2 3.07Å; R240-Q323 HydrophobicContact CB-CG 4.41Å; R240-Q323 VanDerWaalsContact NE-OE1 3.07Å; A244-Q323 HydrophobicContact CB-CG 4.44Å; M319-Q323 WeakPolarHBondContact O-CG 3.48Å; M319-Q323 PolarHBondContact O-N 3.28Å; W320-Q323 PolarHBondContact O-N 2.69Å; K321-Q323 VanDerWaalsContact C-N 3.31Å; K321-Q323 PolarHBondContact O-N 3.19Å; Q323-Y326 WeakPolarHBondContact O-CB 3.3Å
324I86.9Confident88.4Confident2 Ų239.4 Ų39.41%0.0118%0.183CC..Hα-helixtrans-65.4-47.6179.9-67.2-71.4000111.5A241 W320 K321 Y326 K394A241-I324 HydrophobicContact CB-CD1 3.61Å; A241-I324 HydrophobicContact CB-CG1 4.43Å; W320-I324 HydrophobicContact CD2-CG1 4.21Å; W320-I324 HydrophobicContact CH2-CG1 4.29Å; W320-I324 HydrophobicContact CZ2-CD1 4.07Å; W320-I324 HydrophobicContact CZ2-CG1 3.67Å; W320-I324 WeakPolarHBondContact O-CG1 3.5Å; W320-I324 PolarHBondContact O-N 3.39Å; K321-I324 PolarHBondContact O-N 3.21Å; I324-Y326 VanDerWaalsContact C-N 3.31Å; I324-K394 HydrophobicContact CD1-CB 3.94Å; I324-K394 WeakPolarHBondContact CD1-O 3.42Å; I324-K394 WeakPolarHBondContact O-CD 3.39Å; I324-K394 PolarHBondContact O-NZ 3.5Å
325F88.8Confident88.6Confident111 Ų11138 Ų3849%0.48718%0.178SC..THydrogen-bonded Turntrans-93.110-176.5-62.1-70.9000113.3K321 K327 L391K321-F325 HydrophobicContact CG-CD2 3.9Å; K321-F325 HydrophobicContact CG-CE2 4.29Å; K321-F325 WeakPolarHBondContact O-CD2 3.39Å; K321-F325 PolarHBondContact O-N 3.41Å; F325-K327 PolarHBondContact O-N 3.38Å; F325-L391 HydrophobicContact CD1-CD2 4.13Å; F325-L391 HydrophobicContact CE1-CD2 4.14Å
326Y89.8Confident88.8Confident0 Ų036 Ų360%017%0.17CC..  trans-56.4127.2-179.9176.6-109.7000111.1P36 I37 N322 Q323 I324 P328 Y331 Q333 I341 Y386P36-Y326 HydrophobicContact CB-CE2 4.4Å; P36-Y326 HydrophobicContact CG-CD1 4.47Å; P36-Y326 HydrophobicContact CG-CD2 4.41Å; P36-Y326 HydrophobicContact CG-CE1 3.82Å; P36-Y326 HydrophobicContact CG-CE2 3.76Å; P36-Y326 VanDerWaalsContact CG-CZ 3.43Å; I37-Y326 HydrophobicContact CD1-CD2 3.8Å; I37-Y326 HydrophobicContact CD1-CE2 4.44Å; I37-Y326 HydrophobicContact CG1-CD2 3.57Å; I37-Y326 HydrophobicContact CG1-CE2 3.7Å; N322-Y326 VanDerWaalsContact O-CA 3.3Å; N322-Y326 WeakPolarHBondContact O-CA 3.31Å; N322-Y326 VanDerWaalsContact O-CB 3.23Å; N322-Y326 WeakPolarHBondContact O-CB 3.2Å; N322-Y326 PolarHBondContact O-N 3.49Å; Q323-Y326 WeakPolarHBondContact O-CB 3.3Å; I324-Y326 VanDerWaalsContact C-N 3.31Å; Y326-P328 HydrophobicContact CE1-CG 3.9Å; Y326-Y331 AromaticContact CD2-CD2 3.66Å; Y326-Y331 HydrophobicContact CD2-CD2 3.66Å; Y326-Y331 AromaticContact CD2-CE2 3.7Å; Y326-Y331 HydrophobicContact CD2-CE2 3.7Å; Y326-Y331 AromaticContact CE2-CD2 3.58Å; Y326-Y331 HydrophobicContact CE2-CD2 3.58Å; Y326-Y331 HydrophobicContact CE2-CE2 4.12Å; Y326-Y331 HydrophobicContact CE2-CG 4.31Å; Y326-Q333 PolarHBondContact OH-OE1 3.48Å; Y326-I341 HydrophobicContact CE1-CD1 3.92Å; Y326-Y386 AromaticContact CD1-CD2 3.75Å; Y326-Y386 HydrophobicContact CD1-CD2 3.75Å; Y326-Y386 HydrophobicContact CD1-CE2 4.04Å; Y326-Y386 AromaticContact CE1-CD2 3.78Å; Y326-Y386 HydrophobicContact CE1-CD2 3.78Å; Y326-Y386 HydrophobicContact CE1-CE2 4.4Å; Y326-Y386 WeakPolarHBondContact O-CE2 3.4Å
327K89.4Confident88.7Confident105 Ų10539.3 Ų39.346%0.45719%0.192SC..  trans-134.3124.9168.8-64.9-171.7-149.3136.40109.1F325 Y329 E330 Y331F325-K327 PolarHBondContact O-N 3.38Å; K327-Y329 PolarHBondContact O-N 2.92Å; K327-Y329 VanDerWaalsContact O-N 3.14Å; K327-E330 HydrophobicContact CB-CG 4.21Å; K327-E330 WeakPolarHBondContact CD-OE1 3.46Å; K327-E330 IonicContact NZ-OE1 3.89Å; K327-E330 PolarHBondContact NZ-OE1 2.86Å; K327-E330 PolarHBondContact O-N 3.26Å; K327-E330 VanDerWaalsContact O-N 3.14Å; K327-Y331 WeakPolarHBondContact O-CD2 3.22Å
328P90.4Very high88.6Confident9 Ų938.5 Ų38.56%0.05820%0.2CC..G310 helixtrans-51.3-43.3-178-29.634.5000113.4Y326 E330 Y331 G332 Q333 V335 Y386Y326-P328 HydrophobicContact CE1-CG 3.9Å; P328-E330 VanDerWaalsContact C-N 3.32Å; P328-E330 PolarHBondContact O-N 2.93Å; P328-Y331 CarbonylContact O-C 3.6Å; P328-Y331 PolarHBondContact O-N 3.17Å; P328-G332 PolarHBondContact O-N 2.91Å; P328-Q333 CarbonylContact C-O 3.6Å; P328-Q333 HydrophobicContact CB-CB 3.85Å; P328-Q333 WeakPolarHBondContact CB-O 3.4Å; P328-Q333 CarbonylContact O-C 3.58Å; P328-Q333 WeakPolarHBondContact O-CA 3.42Å; P328-Q333 WeakPolarHBondContact O-CB 3.47Å; P328-Q333 PolarHBondContact O-N 3.38Å; P328-Q333 VanDerWaalsContact O-O 3.09Å; P328-V335 HydrophobicContact CG-CG2 4.01Å; P328-Y386 HydrophobicContact CG-CD1 3.98Å; P328-Y386 HydrophobicContact CG-CD2 3.9Å; P328-Y386 HydrophobicContact CG-CE1 4.38Å; P328-Y386 HydrophobicContact CG-CE2 4.3Å; P328-Y386 HydrophobicContact CG-CG 3.71Å
329Y89.2Confident88.6Confident68 Ų6840.8 Ų40.827%0.26721%0.21SC..G310 helixtrans-57.2-40.9-177.2-179.8-94.5000113.7K327 Y331 G332 Q333 F353 H355 L358K327-Y329 PolarHBondContact O-N 2.92Å; K327-Y329 VanDerWaalsContact O-N 3.14Å; Y329-Y331 PolarHBondContact O-N 2.82Å; Y329-G332 PolarHBondContact O-N 2.87Å; Y329-Q333 PolarHBondContact N-O 3.32Å; Y329-F353 HydrophobicContact CD2-CE2 4.39Å; Y329-F353 HydrophobicContact CE1-CE2 4.22Å; Y329-F353 AromaticContact CE2-CD2 3.86Å; Y329-F353 HydrophobicContact CE2-CD2 3.86Å; Y329-F353 AromaticContact CE2-CE2 3.8Å; Y329-F353 HydrophobicContact CE2-CE2 3.8Å; Y329-F353 AromaticContact CZ-CE2 3.73Å; Y329-H355 AromaticContact CD1-CE1 3.3Å; Y329-H355 WeakPolarHBondContact CD1-CE1 3.36Å; Y329-H355 AromaticContact CD1-ND1 4Å; Y329-H355 AromaticContact CD1-NE2 3.77Å; Y329-H355 AromaticContact CD2-CE1 3.63Å; Y329-H355 AromaticContact CD2-ND1 3.44Å; Y329-H355 WeakPolarHBondContact CD2-ND1 3.39Å; Y329-H355 AromaticContact CE1-CD2 3.91Å; Y329-H355 AromaticContact CE1-CE1 3.24Å; Y329-H355 WeakPolarHBondContact CE1-CE1 3.48Å; Y329-H355 AromaticContact CE1-ND1 3.94Å; Y329-H355 AromaticContact CE1-NE2 3.22Å; Y329-H355 WeakPolarHBondContact CE1-NE2 3.24Å; Y329-H355 HydrophobicContact CE2-CB 4.23Å; Y329-H355 AromaticContact CE2-CD2 3.88Å; Y329-H355 AromaticContact CE2-CE1 3.61Å; Y329-H355 AromaticContact CE2-CG 3.58Å; Y329-H355 AromaticContact CE2-ND1 3.4Å; Y329-H355 WeakPolarHBondContact CE2-ND1 3.4Å; Y329-H355 AromaticContact CE2-NE2 3.91Å; Y329-H355 AromaticContact CG-CE1 3.5Å; Y329-H355 VanDerWaalsContact CG-CE1 3.5Å; Y329-H355 AromaticContact CG-ND1 3.76Å; Y329-H355 AromaticContact CZ-CD2 3.46Å; Y329-H355 VanDerWaalsContact CZ-CD2 3.46Å; Y329-H355 AromaticContact CZ-CE1 3.4Å; Y329-H355 AromaticContact CZ-CG 3.69Å; Y329-H355 AromaticContact CZ-ND1 3.64Å; Y329-H355 AromaticContact CZ-NE2 3.3Å; Y329-H355 VanDerWaalsContact CZ-NE2 3.3Å; Y329-H355 PolarHBondContact OH-CD2 2.61Å; Y329-L358 HydrophobicContact CD2-CB 4.35Å; Y329-L358 HydrophobicContact CD2-CD2 3.69Å; Y329-L358 HydrophobicContact CE2-CB 4.39Å; Y329-L358 HydrophobicContact CE2-CD2 4.15Å; Y329-L358 HydrophobicContact CG-CD2 4.44Å
330E87.3Confident88.8Confident101 Ų10142.4 Ų42.447%0.47222%0.216SC..G310 helixtrans-66.1-20.6-178.5-64.3178.7-166.900112K327 P328K327-E330 HydrophobicContact CB-CG 4.21Å; K327-E330 WeakPolarHBondContact CD-OE1 3.46Å; K327-E330 IonicContact NZ-OE1 3.89Å; K327-E330 PolarHBondContact NZ-OE1 2.86Å; K327-E330 PolarHBondContact O-N 3.26Å; K327-E330 VanDerWaalsContact O-N 3.14Å; P328-E330 VanDerWaalsContact C-N 3.32Å; P328-E330 PolarHBondContact O-N 2.93Å
331Y88.6Confident88.9Confident36 Ų3640.9 Ų40.914%0.14121%0.211CC..G310 helixtrans-106.913.8-179-64.6-73.9000113.3I37 S40 T150 Y326 K327 P328 Y329 Q333I37-Y331 HydrophobicContact CB-CE1 4.46Å; I37-Y331 HydrophobicContact CD1-CE1 4.25Å; I37-Y331 HydrophobicContact CD1-CE2 3.98Å; I37-Y331 HydrophobicContact CG1-CD1 4.27Å; I37-Y331 HydrophobicContact CG1-CD2 4.15Å; I37-Y331 HydrophobicContact CG1-CE1 4.11Å; I37-Y331 HydrophobicContact CG1-CE2 4.01Å; I37-Y331 HydrophobicContact CG1-CG 4.28Å; I37-Y331 HydrophobicContact CG2-CD1 3.82Å; I37-Y331 HydrophobicContact CG2-CE1 3.59Å; S40-Y331 WeakPolarHBondContact CB-O 3.06Å; S40-Y331 PolarHBondContact OG-O 3.19Å; T150-Y331 HydrophobicContact CG2-CD1 4.36Å; T150-Y331 HydrophobicContact CG2-CE1 4.46Å; Y326-Y331 AromaticContact CD2-CD2 3.66Å; Y326-Y331 HydrophobicContact CD2-CD2 3.66Å; Y326-Y331 AromaticContact CD2-CE2 3.7Å; Y326-Y331 HydrophobicContact CD2-CE2 3.7Å; Y326-Y331 AromaticContact CE2-CD2 3.58Å; Y326-Y331 HydrophobicContact CE2-CD2 3.58Å; Y326-Y331 HydrophobicContact CE2-CE2 4.12Å; Y326-Y331 HydrophobicContact CE2-CG 4.31Å; K327-Y331 WeakPolarHBondContact O-CD2 3.22Å; P328-Y331 CarbonylContact O-C 3.6Å; P328-Y331 PolarHBondContact O-N 3.17Å; Y329-Y331 PolarHBondContact O-N 2.82Å; Y331-Q333 PolarHBondContact O-N 3.27Å
332G88.1Confident89Confident0 Ų039.2 Ų39.20%020%0.203CC..THydrogen-bonded Turntrans67.129.6-178.300000112.4P328 Y329 V344P328-G332 PolarHBondContact O-N 2.91Å; Y329-G332 PolarHBondContact O-N 2.87Å; G332-V344 WeakPolarHBondContact O-CG2 3.13Å; G332-V344 PolarHBondContact O-N 2.83Å
333Q91.8Very high89.1Confident1 Ų138.6 Ų38.61%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-118.1158.6-178-66.3169.1-30.100110.8P36 Y326 P328 Y329 Y331 I341 Y342 T343 L358P36-Q333 PolarHBondContact O-NE2 2.93Å; Y326-Q333 PolarHBondContact OH-OE1 3.48Å; P328-Q333 CarbonylContact C-O 3.6Å; P328-Q333 HydrophobicContact CB-CB 3.85Å; P328-Q333 WeakPolarHBondContact CB-O 3.4Å; P328-Q333 CarbonylContact O-C 3.58Å; P328-Q333 WeakPolarHBondContact O-CA 3.42Å; P328-Q333 WeakPolarHBondContact O-CB 3.47Å; P328-Q333 PolarHBondContact O-N 3.38Å; P328-Q333 VanDerWaalsContact O-O 3.09Å; Y329-Q333 PolarHBondContact N-O 3.32Å; Y331-Q333 PolarHBondContact O-N 3.27Å; Q333-I341 HydrophobicContact CB-CG2 3.96Å; Q333-I341 HydrophobicContact CG-CG2 4.29Å; Q333-Y342 CarbonylContact C-O 3.59Å; Q333-Y342 VanDerWaalsContact CA-O 3.24Å; Q333-Y342 WeakPolarHBondContact CA-O 3.24Å; Q333-Y342 WeakPolarHBondContact CB-O 3.22Å; Q333-T343 HydrophobicContact CG-CG2 3.93Å; Q333-T343 WeakPolarHBondContact CG-OG1 3.43Å; Q333-T343 PolarHBondContact NE2-OG1 3.01Å; Q333-L358 WeakPolarHBondContact O-CD2 3.43Å
334Y91.8Very high89.1Confident6 Ų638.6 Ų38.62%0.02420%0.199CC..EExtended strand (participates in β ladder)trans-144164.517861.2-85000111.6Y342 V344 L358 Y360 R363 V376 D379Y334-Y342 VanDerWaalsContact CE2-CB 3.5Å; Y334-Y342 HydrophobicContact CE2-CD2 4.22Å; Y334-Y342 AromaticContact CE2-CG 3.87Å; Y334-Y342 HydrophobicContact CE2-CG 3.87Å; Y334-Y342 AromaticContact CZ-CG 3.98Å; Y334-Y342 PolarHBondContact N-O 2.68Å; Y334-Y342 PolarHBondContact O-N 2.9Å; Y334-V344 HydrophobicContact CD1-CG2 4.21Å; Y334-V344 HydrophobicContact CE1-CG2 3.94Å; Y334-L358 WeakPolarHBondContact CB-O 3.35Å; Y334-L358 HydrophobicContact CD1-CD1 4.01Å; Y334-L358 HydrophobicContact CD1-CG 4.35Å; Y334-Y360 HydrophobicContact CE2-CD2 4.03Å; Y334-Y360 HydrophobicContact CE2-CG 4.48Å; Y334-R363 VanDerWaalsContact CE1-CD 3.45Å; Y334-V376 WeakPolarHBondContact OH-CG2 3.3Å; Y334-D379 HydrophobicContact CE1-CB 4.43Å; Y334-D379 WeakPolarHBondContact CE1-OD2 3.41Å; Y334-D379 VanDerWaalsContact CZ-OD2 3.31Å; Y334-D379 PolarHBondContact OH-OD2 2.96Å
335V91.8Very high89Confident54 Ų5443.5 Ų43.533%0.32722%0.222SC..EExtended strand (participates in β ladder)trans-99.7129-177.2-172.80000109.3P328 K340 Y386P328-V335 HydrophobicContact CG-CG2 4.01Å; V335-K340 WeakPolarHBondContact CA-O 3.29Å; V335-Y386 HydrophobicContact CG2-CD1 3.81Å; V335-Y386 HydrophobicContact CG2-CG 4.27Å
336G89.6Confident88.7Confident10 Ų1041 Ų4110%0.10321%0.212CC..  trans-110.4-167.1174.500000112.9G338 E339 K340G336-G338 PolarHBondContact O-N 3.38Å; G336-E339 PolarHBondContact O-N 3.44Å; G336-K340 PolarHBondContact N-O 3.39Å
337P87.2Confident88Confident75 Ų7543.5 Ų43.549%0.48723%0.228SC..THydrogen-bonded Turntrans-56134.9-178.3-25.734.2000113Y360P337-Y360 VanDerWaalsContact CD-CE2 3.43Å; P337-Y360 VanDerWaalsContact CD-CZ 3.5Å; P337-Y360 HydrophobicContact CG-CD1 4.24Å; P337-Y360 HydrophobicContact CG-CE1 3.73Å; P337-Y360 HydrophobicContact CG-CE2 4.15Å
338G84.4Confident87.5Confident54 Ų5444 Ų4456%0.55723%0.232SC*.THydrogen-bonded Turntrans75.225.8-178.200000114.1G336 K340G336-G338 PolarHBondContact O-N 3.38Å; G338-K340 WeakPolarHBondContact O-CG 3.47Å; G338-K340 PolarHBondContact O-N 3.11Å
339E88.3Confident86.9Confident84 Ų8445.1 Ų45.139%0.39324%0.239SC..SBendtrans62.321.6177.7-59.8172.515500113.5G336 R385 Y386 I387G336-E339 PolarHBondContact O-N 3.44Å; E339-R385 HydrophobicContact CB-CB 4.49Å; E339-R385 CarbonylContact O-C 3.58Å; E339-R385 WeakPolarHBondContact O-CA 3.17Å; E339-R385 WeakPolarHBondContact O-CB 3.32Å; E339-Y386 PolarHBondContact O-N 3.21Å; E339-I387 WeakPolarHBondContact OE2-CG1 3.43Å
340K89Confident86.4Confident61 Ų6142.8 Ų42.827%0.26523%0.231SC..EExtended strand (participates in β ladder)trans-85.7147.9-176.6-59.8-172.6-179.11750111.3V335 G336 G338 F381V335-K340 WeakPolarHBondContact CA-O 3.29Å; G336-K340 PolarHBondContact N-O 3.39Å; G338-K340 WeakPolarHBondContact O-CG 3.47Å; G338-K340 PolarHBondContact O-N 3.11Å; K340-F381 HydrophobicContact CB-CE2 4.02Å; K340-F381 HydrophobicContact CD-CE2 3.34Å; K340-F381 HydrophobicContact CD-CZ 3.42Å; K340-F381 VanDerWaalsContact CD-CZ 3.42Å; K340-F381 HydrophobicContact CG-CE2 4.34Å
341I90.4Very high85.7Confident0 Ų046.3 Ų46.30%024%0.24CC..EExtended strand (participates in β ladder)trans-90.5137.5-176-58.8164.7000109.6P36 Y326 Q333 L382 S384P36-I341 HydrophobicContact CB-CD1 3.85Å; P36-I341 HydrophobicContact CB-CG2 4.4Å; P36-I341 HydrophobicContact CG-CD1 3.88Å; Y326-I341 HydrophobicContact CE1-CD1 3.92Å; Q333-I341 HydrophobicContact CB-CG2 3.96Å; Q333-I341 HydrophobicContact CG-CG2 4.29Å; I341-L382 HydrophobicContact CB-CB 4.29Å; I341-L382 HydrophobicContact CB-CD1 4.29Å; I341-L382 HydrophobicContact CG2-CD1 3.97Å; I341-L382 WeakPolarHBondContact O-CB 3.43Å; I341-L382 PolarHBondContact O-N 3.5Å; I341-S384 WeakPolarHBondContact CG1-O 3.33Å; I341-S384 PolarHBondContact N-O 2.86Å; I341-S384 VanDerWaalsContact N-O 3.14Å
342Y89.9Confident84.8Confident32 Ų3252 Ų5213%0.12527%0.273CS..EExtended strand (participates in β ladder)trans-117.9135.8170.8-72.7-101.2000109.1Q333 Y334 Y360 V376 M380 F381Q333-Y342 CarbonylContact C-O 3.59Å; Q333-Y342 VanDerWaalsContact CA-O 3.24Å; Q333-Y342 WeakPolarHBondContact CA-O 3.24Å; Q333-Y342 WeakPolarHBondContact CB-O 3.22Å; Y334-Y342 VanDerWaalsContact CE2-CB 3.5Å; Y334-Y342 HydrophobicContact CE2-CD2 4.22Å; Y334-Y342 AromaticContact CE2-CG 3.87Å; Y334-Y342 HydrophobicContact CE2-CG 3.87Å; Y334-Y342 AromaticContact CZ-CG 3.98Å; Y334-Y342 PolarHBondContact N-O 2.68Å; Y334-Y342 PolarHBondContact O-N 2.9Å; Y342-Y360 HydrophobicContact CD2-CD2 4.45Å; Y342-Y360 HydrophobicContact CE2-CD2 4.2Å; Y342-Y360 HydrophobicContact CE2-CE2 4.25Å; Y342-V376 HydrophobicContact CE1-CG1 4.43Å; Y342-M380 CarbonylContact C-O 3.59Å; Y342-M380 WeakPolarHBondContact CA-O 3.23Å; Y342-F381 HydrophobicContact CD1-CB 4.5Å; Y342-F381 HydrophobicContact CE1-CB 4.2Å; Y342-F381 AromaticContact CE1-CD2 3.88Å; Y342-F381 HydrophobicContact CE1-CD2 3.88Å; Y342-F381 HydrophobicContact CE2-CD2 4.17Å; Y342-F381 AromaticContact CZ-CD2 3.65Å
343T89.7Confident84.1Confident1 Ų154.5 Ų54.51%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-111.1129.4179.7-54.50000110.7H39 Q333 E345 D379 M380 L382H39-T343 WeakPolarHBondContact O-CG2 3.48Å; Q333-T343 HydrophobicContact CG-CG2 3.93Å; Q333-T343 WeakPolarHBondContact CG-OG1 3.43Å; Q333-T343 PolarHBondContact NE2-OG1 3.01Å; T343-E345 PolarHBondContact O-N 2.96Å; T343-D379 CarbonylContact O-C 3.53Å; T343-D379 WeakPolarHBondContact O-CA 3.44Å; T343-D379 WeakPolarHBondContact O-CB 3.23Å; T343-M380 PolarHBondContact N-O 2.97Å; T343-M380 PolarHBondContact O-N 3.48Å; T343-L382 WeakPolarHBondContact OG1-CD1 3.43Å
344V89.2Confident83.7Confident0 Ų058.8 Ų58.80%031%0.307CS..  trans-75.6114.5175.9177.50000109.7Q41 G332 Y334 T349 L350 L358 R363Q41-V344 WeakPolarHBondContact CG-O 3.23Å; G332-V344 WeakPolarHBondContact O-CG2 3.13Å; G332-V344 PolarHBondContact O-N 2.83Å; Y334-V344 HydrophobicContact CD1-CG2 4.21Å; Y334-V344 HydrophobicContact CE1-CG2 3.94Å; V344-T349 WeakPolarHBondContact CG1-OG1 3.45Å; V344-L350 HydrophobicContact CB-CD1 4.24Å; V344-L350 HydrophobicContact CB-CD2 3.96Å; V344-L350 HydrophobicContact CB-CG 4.16Å; V344-L350 HydrophobicContact CG1-CD1 4.19Å; V344-L350 HydrophobicContact CG1-CD2 4.01Å; V344-L350 HydrophobicContact CG1-CG 3.83Å; V344-L350 HydrophobicContact CG2-CD2 4.38Å; V344-L358 HydrophobicContact CG2-CD1 3.56Å; V344-R363 VanDerWaalsContact CG2-CZ 3.42Å
345E83.6Confident83.2Confident105 Ų10564.2 Ų64.249%0.49133%0.332SS..  trans-79.7-30.7179.4-68.1-165152.800112.9T343 P347 M380T343-E345 PolarHBondContact O-N 2.96Å; E345-P347 WeakPolarHBondContact O-CD 3.49Å; E345-M380 HydrophobicContact CG-CB 3.95Å
346E82.3Confident82.8Confident59 Ų5965.1 Ų65.128%0.27634%0.341SS..  trans-83.3104-172.3-166162.6-132.600110.9E348 T349 N368 R378E346-E348 PolarHBondContact O-N 2.73Å; E346-T349 HydrophobicContact CB-CG2 4.16Å; E346-T349 HydrophobicContact CG-CG2 4.12Å; E346-T349 PolarHBondContact O-N 2.77Å; E346-T349 VanDerWaalsContact O-N 3.11Å; E346-T349 PolarHBondContact O-OG1 2.83Å; E346-N368 PolarHBondContact OE2-ND2 2.75Å; E346-N368 VanDerWaalsContact OE2-ND2 3.15Å; E346-R378 IonicContact OE1-NH1 2.77Å; E346-R378 PolarHBondContact OE1-NH1 3.3Å; E346-R378 VanDerWaalsContact OE1-NH1 3.09Å; E346-R378 IonicContact OE2-NH1 3.74Å; E346-R378 PolarHBondContact OE2-NH1 3.42Å
347P76.9Confident82.6Confident53 Ų5366.2 Ų66.234%0.34435%0.346SS..G310 helixtrans-67.9-24.8-168.9-18.933.8000113.1E345 T349 L350E345-P347 WeakPolarHBondContact O-CD 3.49Å; P347-T349 VanDerWaalsContact C-N 3.27Å; P347-T349 PolarHBondContact O-N 2.66Å; P347-L350 WeakPolarHBondContact O-CB 3.22Å; P347-L350 PolarHBondContact O-N 3.19Å; P347-L350 VanDerWaalsContact O-N 3.08Å
348E79Confident82.5Confident114 Ų11463.1 Ų63.153%0.53333%0.325SS..G310 helixtrans-65.8-32.9177.8-61.1-58.5160.700111.7E346 L350 R351E346-E348 PolarHBondContact O-N 2.73Å; E348-L350 PolarHBondContact O-N 3.37Å; E348-R351 PolarHBondContact O-N 3.19Å; E348-R351 IonicContact OE1-CZ 2.63Å; E348-R351 IonicContact OE1-NH1 3.3Å; E348-R351 PolarHBondContact OE1-NH1 3.1Å; E348-R351 IonicContact OE2-CZ 2.72Å; E348-R351 IonicContact OE2-NE 3.43Å; E348-R351 IonicContact OE2-NH1 3.22Å; E348-R351 PolarHBondContact OE2-NH1 3.48Å
349T77.4Confident82.7Confident34 Ų3463 Ų6321%0.20931%0.313CS..G310 helixtrans-72.7-17.717569.20000112.7V344 E346 P347 Y375V344-T349 WeakPolarHBondContact CG1-OG1 3.45Å; E346-T349 HydrophobicContact CB-CG2 4.16Å; E346-T349 HydrophobicContact CG-CG2 4.12Å; E346-T349 PolarHBondContact O-N 2.77Å; E346-T349 VanDerWaalsContact O-N 3.11Å; E346-T349 PolarHBondContact O-OG1 2.83Å; P347-T349 VanDerWaalsContact C-N 3.27Å; P347-T349 PolarHBondContact O-N 2.66Å; T349-Y375 HydrophobicContact CG2-CD1 4.41Å; T349-Y375 HydrophobicContact CG2-CE1 3.88Å
350L79.2Confident82.7Confident19 Ų1962.4 Ų62.410%0.09931%0.308CS..G310 helixtrans-91.33.4177.7-67.1173.9000113.5Q41 T42 V344 P347 E348 F353Q41-L350 HydrophobicContact CB-CD1 3.71Å; T42-L350 HydrophobicContact CG2-CD1 4.36Å; V344-L350 HydrophobicContact CB-CD1 4.24Å; V344-L350 HydrophobicContact CB-CD2 3.96Å; V344-L350 HydrophobicContact CB-CG 4.16Å; V344-L350 HydrophobicContact CG1-CD1 4.19Å; V344-L350 HydrophobicContact CG1-CD2 4.01Å; V344-L350 HydrophobicContact CG1-CG 3.83Å; V344-L350 HydrophobicContact CG2-CD2 4.38Å; P347-L350 WeakPolarHBondContact O-CB 3.22Å; P347-L350 PolarHBondContact O-N 3.19Å; P347-L350 VanDerWaalsContact O-N 3.08Å; E348-L350 PolarHBondContact O-N 3.37Å; L350-F353 VanDerWaalsContact C-CD1 3.49Å; L350-F353 HydrophobicContact CB-CD1 4.19Å; L350-F353 HydrophobicContact CB-CE1 4.37Å; L350-F353 HydrophobicContact CD2-CD1 4.04Å; L350-F353 HydrophobicContact CD2-CE1 4.25Å; L350-F353 HydrophobicContact CD2-CG 4.32Å; L350-F353 WeakPolarHBondContact O-CD1 3.29Å; L350-F353 WeakPolarHBondContact O-CE1 3.46Å
351R72.6Confident82.8Confident175 Ų17567 Ų6766%0.6633%0.331SS*.THydrogen-bonded Turntrans-80.6-36.6173.3-74.3-177.7170.2160.6-2.8112.8E348E348-R351 PolarHBondContact O-N 3.19Å; E348-R351 IonicContact OE1-CZ 2.63Å; E348-R351 IonicContact OE1-NH1 3.3Å; E348-R351 PolarHBondContact OE1-NH1 3.1Å; E348-R351 IonicContact OE2-CZ 2.72Å; E348-R351 IonicContact OE2-NE 3.43Å; E348-R351 IonicContact OE2-NH1 3.22Å; E348-R351 PolarHBondContact OE2-NH1 3.48Å
352D68.1Low82.7Confident154 Ų15471 Ų7182%0.82435%0.345SS*.SBendtrans-121.926.2-173.6-58.7-45.5000112.8
353F74.2Confident82.7Confident53 Ų5369.7 Ų69.723%0.23234%0.341CS..  trans-73.8146.9-176.772.1-80000112.5Y329 L350 L358Y329-F353 HydrophobicContact CD2-CE2 4.39Å; Y329-F353 HydrophobicContact CE1-CE2 4.22Å; Y329-F353 AromaticContact CE2-CD2 3.86Å; Y329-F353 HydrophobicContact CE2-CD2 3.86Å; Y329-F353 AromaticContact CE2-CE2 3.8Å; Y329-F353 HydrophobicContact CE2-CE2 3.8Å; Y329-F353 AromaticContact CZ-CE2 3.73Å; L350-F353 VanDerWaalsContact C-CD1 3.49Å; L350-F353 HydrophobicContact CB-CD1 4.19Å; L350-F353 HydrophobicContact CB-CE1 4.37Å; L350-F353 HydrophobicContact CD2-CD1 4.04Å; L350-F353 HydrophobicContact CD2-CE1 4.25Å; L350-F353 HydrophobicContact CD2-CG 4.32Å; L350-F353 WeakPolarHBondContact O-CD1 3.29Å; L350-F353 WeakPolarHBondContact O-CE1 3.46Å; F353-L358 HydrophobicContact CD2-CB 4.36Å; F353-L358 HydrophobicContact CD2-CD2 3.87Å; F353-L358 HydrophobicContact CE2-CD2 4Å
354N82.9Confident82.7Confident92 Ų9271.5 Ų71.549%0.49235%0.353SS..  trans-127.2163.1177.5-163.4-3.1000109.4S356 T357 L358N354-S356 PolarHBondContact O-N 3.02Å; N354-S356 VanDerWaalsContact O-N 3.09Å; N354-T357 PolarHBondContact N-OG1 3Å; N354-T357 VanDerWaalsContact N-OG1 3.09Å; N354-T357 PolarHBondContact O-N 3.32Å; N354-T357 PolarHBondContact O-OG1 2.98Å; N354-T357 VanDerWaalsContact O-OG1 3.14Å; N354-L358 PolarHBondContact O-N 3.42Å; N354-L358 VanDerWaalsContact O-N 3.08Å
355H82.6Confident82.7Confident120 Ų12076.3 Ų76.356%0.55638%0.383SS*.THydrogen-bonded Turntrans-56.8-25.9176.9-79.4-81.2000113.5Y329 T359Y329-H355 AromaticContact CD1-CE1 3.3Å; Y329-H355 WeakPolarHBondContact CD1-CE1 3.36Å; Y329-H355 AromaticContact CD1-ND1 4Å; Y329-H355 AromaticContact CD1-NE2 3.77Å; Y329-H355 AromaticContact CD2-CE1 3.63Å; Y329-H355 AromaticContact CD2-ND1 3.44Å; Y329-H355 WeakPolarHBondContact CD2-ND1 3.39Å; Y329-H355 AromaticContact CE1-CD2 3.91Å; Y329-H355 AromaticContact CE1-CE1 3.24Å; Y329-H355 WeakPolarHBondContact CE1-CE1 3.48Å; Y329-H355 AromaticContact CE1-ND1 3.94Å; Y329-H355 AromaticContact CE1-NE2 3.22Å; Y329-H355 WeakPolarHBondContact CE1-NE2 3.24Å; Y329-H355 HydrophobicContact CE2-CB 4.23Å; Y329-H355 AromaticContact CE2-CD2 3.88Å; Y329-H355 AromaticContact CE2-CE1 3.61Å; Y329-H355 AromaticContact CE2-CG 3.58Å; Y329-H355 AromaticContact CE2-ND1 3.4Å; Y329-H355 WeakPolarHBondContact CE2-ND1 3.4Å; Y329-H355 AromaticContact CE2-NE2 3.91Å; Y329-H355 AromaticContact CG-CE1 3.5Å; Y329-H355 VanDerWaalsContact CG-CE1 3.5Å; Y329-H355 AromaticContact CG-ND1 3.76Å; Y329-H355 AromaticContact CZ-CD2 3.46Å; Y329-H355 VanDerWaalsContact CZ-CD2 3.46Å; Y329-H355 AromaticContact CZ-CE1 3.4Å; Y329-H355 AromaticContact CZ-CG 3.69Å; Y329-H355 AromaticContact CZ-ND1 3.64Å; Y329-H355 AromaticContact CZ-NE2 3.3Å; Y329-H355 VanDerWaalsContact CZ-NE2 3.3Å; Y329-H355 PolarHBondContact OH-CD2 2.61Å; H355-T359 WeakPolarHBondContact O-CG2 3.42Å
356S82.7Confident82.9Confident73 Ų7374 Ų7451%0.5137%0.373SS..THydrogen-bonded Turntrans-77.7-32.8176.7520000113.5N354 T359N354-S356 PolarHBondContact O-N 3.02Å; N354-S356 VanDerWaalsContact O-N 3.09Å; S356-T359 PolarHBondContact O-OG1 3.48Å
357T84.1Confident83Confident33 Ų3375.5 Ų75.520%0.20238%0.383CS..THydrogen-bonded Turntrans-89.8-27.3-175.759.60000112.6N354 T359 W362 R363N354-T357 PolarHBondContact N-OG1 3Å; N354-T357 VanDerWaalsContact N-OG1 3.09Å; N354-T357 PolarHBondContact O-N 3.32Å; N354-T357 PolarHBondContact O-OG1 2.98Å; N354-T357 VanDerWaalsContact O-OG1 3.14Å; T357-T359 PolarHBondContact O-N 2.63Å; T357-W362 HydrophobicContact CG2-CD2 4.2Å; T357-W362 HydrophobicContact CG2-CH2 4.34Å; T357-W362 HydrophobicContact CG2-CZ2 3.94Å; T357-R363 WeakPolarHBondContact O-CG 3.32Å
358L86.4Confident83.3Confident9 Ų973.5 Ų73.55%0.04737%0.369CS..SBendtrans-86.757.2177.5-161.269.7000111.7Y329 Q333 Y334 V344 F353 N354Y329-L358 HydrophobicContact CD2-CB 4.35Å; Y329-L358 HydrophobicContact CD2-CD2 3.69Å; Y329-L358 HydrophobicContact CE2-CB 4.39Å; Y329-L358 HydrophobicContact CE2-CD2 4.15Å; Y329-L358 HydrophobicContact CG-CD2 4.44Å; Q333-L358 WeakPolarHBondContact O-CD2 3.43Å; Y334-L358 WeakPolarHBondContact CB-O 3.35Å; Y334-L358 HydrophobicContact CD1-CD1 4.01Å; Y334-L358 HydrophobicContact CD1-CG 4.35Å; V344-L358 HydrophobicContact CG2-CD1 3.56Å; F353-L358 HydrophobicContact CD2-CB 4.36Å; F353-L358 HydrophobicContact CD2-CD2 3.87Å; F353-L358 HydrophobicContact CE2-CD2 4Å; N354-L358 PolarHBondContact O-N 3.42Å; N354-L358 VanDerWaalsContact O-N 3.08Å
359T88.9Confident83.5Confident51 Ų5173.9 Ų73.931%0.31338%0.381SS..SBendtrans-134.915217761.30000110.7H355 S356 T357 E361 W362 R363H355-T359 WeakPolarHBondContact O-CG2 3.42Å; S356-T359 PolarHBondContact O-OG1 3.48Å; T357-T359 PolarHBondContact O-N 2.63Å; T359-E361 VanDerWaalsContact C-N 3.31Å; T359-E361 PolarHBondContact O-N 3.24Å; T359-W362 PolarHBondContact O-N 3.44Å; T359-W362 WeakPolarHBondContact OG1-CB 3.04Å; T359-W362 PolarHBondContact OG1-N 3.19Å; T359-R363 WeakPolarHBondContact O-CG 3.49Å; T359-R363 PolarHBondContact O-N 2.93Å
360Y88.6Confident83.7Confident73 Ų7376.4 Ų76.429%0.28640%0.401SS..Hα-helixtrans-60.7-41178.3-178.3-90.2000111.9Y334 P337 Y342 W362 R363 S364 V376Y334-Y360 HydrophobicContact CE2-CD2 4.03Å; Y334-Y360 HydrophobicContact CE2-CG 4.48Å; P337-Y360 VanDerWaalsContact CD-CE2 3.43Å; P337-Y360 VanDerWaalsContact CD-CZ 3.5Å; P337-Y360 HydrophobicContact CG-CD1 4.24Å; P337-Y360 HydrophobicContact CG-CE1 3.73Å; P337-Y360 HydrophobicContact CG-CE2 4.15Å; Y342-Y360 HydrophobicContact CD2-CD2 4.45Å; Y342-Y360 HydrophobicContact CE2-CD2 4.2Å; Y342-Y360 HydrophobicContact CE2-CE2 4.25Å; Y360-W362 PolarHBondContact O-N 3.35Å; Y360-R363 PolarHBondContact O-N 3.12Å; Y360-S364 WeakPolarHBondContact O-CB 3.48Å; Y360-S364 PolarHBondContact O-N 3.12Å; Y360-S364 PolarHBondContact O-OG 2.81Å; Y360-V376 HydrophobicContact CD2-CG2 4.27Å; Y360-V376 HydrophobicContact CE2-CG1 4.11Å; Y360-V376 HydrophobicContact CE2-CG2 4.28Å
361E89.2Confident83.8Confident158 Ų15877.8 Ų77.874%0.73841%0.41SS*.Hα-helixtrans-61.6-44.4179.6-65.1-178176.300112.2T359 S364 T365T359-E361 VanDerWaalsContact C-N 3.31Å; T359-E361 PolarHBondContact O-N 3.24Å; E361-S364 PolarHBondContact O-OG 2.84Å; E361-S364 VanDerWaalsContact O-OG 3.12Å; E361-T365 WeakPolarHBondContact O-CG2 3.43Å; E361-T365 PolarHBondContact O-N 3.24Å; E361-T365 PolarHBondContact O-OG1 2.94Å
362W89.8Confident84.5Confident82 Ų8275.9 Ų75.931%0.31141%0.413SS..Hα-helixtrans-69.6-47.9178.5-169.891.9000110.9T357 T359 Y360 S364 T365 N366 Y375T357-W362 HydrophobicContact CG2-CD2 4.2Å; T357-W362 HydrophobicContact CG2-CH2 4.34Å; T357-W362 HydrophobicContact CG2-CZ2 3.94Å; T359-W362 PolarHBondContact O-N 3.44Å; T359-W362 WeakPolarHBondContact OG1-CB 3.04Å; T359-W362 PolarHBondContact OG1-N 3.19Å; Y360-W362 PolarHBondContact O-N 3.35Å; W362-S364 VanDerWaalsContact C-N 3.32Å; W362-S364 PolarHBondContact O-N 2.76Å; W362-T365 PolarHBondContact O-N 2.88Å; W362-T365 PolarHBondContact O-OG1 3.09Å; W362-N366 VanDerWaalsContact CD1-ND2 3.33Å; W362-N366 HydrophobicContact CD2-CB 4.23Å; W362-N366 HydrophobicContact CE3-CB 4.25Å; W362-N366 HydrophobicContact CH2-CB 4.13Å; W362-N366 HydrophobicContact CZ2-CB 4.11Å; W362-N366 HydrophobicContact CZ3-CB 4.2Å; W362-N366 PolarHBondContact NE1-ND2 3.43Å; W362-N366 VanDerWaalsContact O-CB 3.32Å; W362-N366 WeakPolarHBondContact O-CB 3.48Å; W362-N366 PolarHBondContact O-N 2.98Å; W362-N366 PolarHBondContact O-ND2 2.83Å; W362-Y375 HydrophobicContact CH2-CD2 4.43Å; W362-Y375 HydrophobicContact CH2-CE2 4.19Å; W362-Y375 HydrophobicContact CZ3-CD2 4.04Å; W362-Y375 HydrophobicContact CZ3-CE2 4.25Å
363R89.7Confident85.4Confident6 Ų673.9 Ų73.92%0.02340%0.397CS..Hα-helixtrans-71.8-24-175.4-65-174.375.199-2.8113.7Y334 V344 T357 T359 Y360 Y375 V376 D379Y334-R363 VanDerWaalsContact CE1-CD 3.45Å; V344-R363 VanDerWaalsContact CG2-CZ 3.42Å; T357-R363 WeakPolarHBondContact O-CG 3.32Å; T359-R363 WeakPolarHBondContact O-CG 3.49Å; T359-R363 PolarHBondContact O-N 2.93Å; Y360-R363 PolarHBondContact O-N 3.12Å; R363-Y375 PolarHBondContact O-N 3.14Å; R363-Y375 VanDerWaalsContact O-N 3.14Å; R363-V376 HydrophobicContact CB-CG2 3.69Å; R363-V376 PolarHBondContact O-N 3.49Å; R363-V376 VanDerWaalsContact O-N 3.08Å; R363-D379 IonicContact CZ-OD1 3.41Å; R363-D379 IonicContact CZ-OD2 2.69Å; R363-D379 IonicContact NE-OD1 2.88Å; R363-D379 IonicContact NE-OD2 3.46Å; R363-D379 PolarHBondContact NE-OD2 3.11Å; R363-D379 IonicContact NH2-OD1 3.09Å; R363-D379 PolarHBondContact NH2-OD1 2.85Å; R363-D379 IonicContact NH2-OD2 3.29Å; R363-D379 PolarHBondContact NH2-OD2 3.4Å
364S89.1Confident86Confident38 Ų3872.8 Ų72.827%0.26640%0.395SS..Hα-helixtrans-78.3-27.6175.355.60000112.9Y360 E361 W362 T374 V376Y360-S364 WeakPolarHBondContact O-CB 3.48Å; Y360-S364 PolarHBondContact O-N 3.12Å; Y360-S364 PolarHBondContact O-OG 2.81Å; E361-S364 PolarHBondContact O-OG 2.84Å; E361-S364 VanDerWaalsContact O-OG 3.12Å; W362-S364 VanDerWaalsContact C-N 3.32Å; W362-S364 PolarHBondContact O-N 2.76Å; S364-T374 WeakPolarHBondContact O-CG2 3.32Å; S364-V376 VanDerWaalsContact N-CG2 3.35Å
365T88.9Confident86.1Confident102 Ų10270.1 Ų70.163%0.62638%0.378SS*.Hα-helixtrans-97.3-27.8-176.952.60000113.1E361 W362E361-T365 WeakPolarHBondContact O-CG2 3.43Å; E361-T365 PolarHBondContact O-N 3.24Å; E361-T365 PolarHBondContact O-OG1 2.94Å; W362-T365 PolarHBondContact O-N 2.88Å; W362-T365 PolarHBondContact O-OG1 3.09Å
366N87.6Confident86.4Confident55 Ų5565.4 Ų65.429%0.29436%0.358SS..PPolyproline II helixtrans-87.1135.2-179.3-72.1-90.8000111.3W362 T374 Y375W362-N366 VanDerWaalsContact CD1-ND2 3.33Å; W362-N366 HydrophobicContact CD2-CB 4.23Å; W362-N366 HydrophobicContact CE3-CB 4.25Å; W362-N366 HydrophobicContact CH2-CB 4.13Å; W362-N366 HydrophobicContact CZ2-CB 4.11Å; W362-N366 HydrophobicContact CZ3-CB 4.2Å; W362-N366 PolarHBondContact NE1-ND2 3.43Å; W362-N366 VanDerWaalsContact O-CB 3.32Å; W362-N366 WeakPolarHBondContact O-CB 3.48Å; W362-N366 PolarHBondContact O-N 2.98Å; W362-N366 PolarHBondContact O-ND2 2.83Å; N366-T374 WeakPolarHBondContact O-CA 3.43Å; N366-Y375 HydrophobicContact CB-CD2 4.07Å; N366-Y375 HydrophobicContact CB-CE2 4.3Å; N366-Y375 WeakPolarHBondContact O-CD2 3.42Å; N366-Y375 PolarHBondContact O-N 3.33Å
367I86.1Confident86.5Confident92 Ų9267.8 Ų67.847%0.47236%0.36SS..BIsolated β-bridgetrans-103132.9-178.3-61.7174.5000108.8P369 T374I367-P369 WeakPolarHBondContact O-CD 3.24Å; I367-T374 HydrophobicContact CG1-CG2 4.38Å
368N82.1Confident86.5Confident10 Ų1069.9 Ų69.95%0.05337%0.365CS..PPolyproline II helixtrans-72.3118.6174.5-174.7-29.2000109.3E346 S370 T371 N372 K373 Y375 R378E346-N368 PolarHBondContact OE2-ND2 2.75Å; E346-N368 VanDerWaalsContact OE2-ND2 3.15Å; N368-S370 PolarHBondContact O-N 3.35Å; N368-S370 VanDerWaalsContact O-N 3.14Å; N368-S370 WeakPolarHBondContact OD1-CB 3.13Å; N368-S370 PolarHBondContact OD1-N 3.27Å; N368-S370 PolarHBondContact OD1-OG 3.03Å; N368-T371 PolarHBondContact O-N 2.91Å; N368-T371 VanDerWaalsContact O-N 3.15Å; N368-N372 PolarHBondContact O-N 2.67Å; N368-K373 PolarHBondContact N-O 3.47Å; N368-Y375 HydrophobicContact CB-CD1 4.26Å; N368-Y375 HydrophobicContact CB-CE1 3.76Å; N368-Y375 HydrophobicContact CB-CE2 4.05Å; N368-R378 PolarHBondContact ND2-NH1 3.37Å
369P82.4Confident86.6Confident122 Ų12270 Ų7079%0.79237%0.366SS*.THydrogen-bonded Turntrans-63.5-23-175.425.1-34.6000113.5I367I367-P369 WeakPolarHBondContact O-CD 3.24Å
370S82.1Confident86.4Confident88 Ų8869.9 Ų69.962%0.61536%0.362SS*.THydrogen-bonded Turntrans-75.3-29.6179.264.80000113.1N368N368-S370 PolarHBondContact O-N 3.35Å; N368-S370 VanDerWaalsContact O-N 3.14Å; N368-S370 WeakPolarHBondContact OD1-CB 3.13Å; N368-S370 PolarHBondContact OD1-N 3.27Å; N368-S370 PolarHBondContact OD1-OG 3.03Å
371T81.9Confident86.3Confident48 Ų4869.6 Ų69.629%0.29436%0.362SS..THydrogen-bonded Turntrans-130.3-3.8-165.556.20000114.2N368 K373 R378N368-T371 PolarHBondContact O-N 2.91Å; N368-T371 VanDerWaalsContact O-N 3.15Å; T371-K373 PolarHBondContact O-N 2.96Å; T371-K373 VanDerWaalsContact O-N 3.09Å; T371-R378 VanDerWaalsContact CB-NH2 3.27Å; T371-R378 PolarHBondContact OG1-NE 2.9Å; T371-R378 VanDerWaalsContact OG1-NE 3.17Å; T371-R378 PolarHBondContact OG1-NH1 3.14Å; T371-R378 PolarHBondContact OG1-NH2 3.09Å
372N88.2Confident86Confident134 Ų13462.2 Ų62.272%0.71733%0.328SS*.SBendtrans5625.7174-156.525.3000114N368N368-N372 PolarHBondContact O-N 2.67Å
373K85.6Confident85.6Confident112 Ų11260.2 Ų60.249%0.48732%0.322SS..SBendtrans-116.4156.1173.6-68.6-174.5176.4-167.90109.6N368 T371N368-K373 PolarHBondContact N-O 3.47Å; T371-K373 PolarHBondContact O-N 2.96Å; T371-K373 VanDerWaalsContact O-N 3.09Å
374T87.4Confident85.3Confident31 Ų3160.2 Ų60.219%0.1932%0.323CS..BIsolated β-bridgetrans-63.7151.4171.961.60000110.2S364 N366 I367 V376 E377S364-T374 WeakPolarHBondContact O-CG2 3.32Å; N366-T374 WeakPolarHBondContact O-CA 3.43Å; I367-T374 HydrophobicContact CG1-CG2 4.38Å; T374-V376 VanDerWaalsContact C-N 3.28Å; T374-V376 PolarHBondContact O-N 2.96Å; T374-E377 PolarHBondContact O-N 3.43Å; T374-E377 WeakPolarHBondContact OG1-CG 3.35Å; T374-E377 PolarHBondContact OG1-OE1 2.86Å
375Y85.4Confident85.3Confident35 Ų3562.7 Ų62.714%0.13733%0.326CS..SBendtrans-64.2-35178.6-77.4-81.7000111.9T349 W362 R363 N366 N368 E377 R378 D379T349-Y375 HydrophobicContact CG2-CD1 4.41Å; T349-Y375 HydrophobicContact CG2-CE1 3.88Å; W362-Y375 HydrophobicContact CH2-CD2 4.43Å; W362-Y375 HydrophobicContact CH2-CE2 4.19Å; W362-Y375 HydrophobicContact CZ3-CD2 4.04Å; W362-Y375 HydrophobicContact CZ3-CE2 4.25Å; R363-Y375 PolarHBondContact O-N 3.14Å; R363-Y375 VanDerWaalsContact O-N 3.14Å; N366-Y375 HydrophobicContact CB-CD2 4.07Å; N366-Y375 HydrophobicContact CB-CE2 4.3Å; N366-Y375 WeakPolarHBondContact O-CD2 3.42Å; N366-Y375 PolarHBondContact O-N 3.33Å; N368-Y375 HydrophobicContact CB-CD1 4.26Å; N368-Y375 HydrophobicContact CB-CE1 3.76Å; N368-Y375 HydrophobicContact CB-CE2 4.05Å; Y375-E377 VanDerWaalsContact C-N 3.31Å; Y375-E377 PolarHBondContact O-N 3.25Å; Y375-R378 PolarHBondContact O-N 2.91Å; Y375-R378 VanDerWaalsContact O-N 3.15Å; Y375-D379 VanDerWaalsContact O-CG 3.26Å; Y375-D379 PolarHBondContact O-N 3.04Å
376V87.2Confident85.3Confident22 Ų2260.2 Ų60.213%0.13331%0.306CS..G310 helixtrans-59.7-36.2177.7165.20000113.1Y334 Y342 Y360 R363 S364 T374 R378 D379Y334-V376 WeakPolarHBondContact OH-CG2 3.3Å; Y342-V376 HydrophobicContact CE1-CG1 4.43Å; Y360-V376 HydrophobicContact CD2-CG2 4.27Å; Y360-V376 HydrophobicContact CE2-CG1 4.11Å; Y360-V376 HydrophobicContact CE2-CG2 4.28Å; R363-V376 HydrophobicContact CB-CG2 3.69Å; R363-V376 PolarHBondContact O-N 3.49Å; R363-V376 VanDerWaalsContact O-N 3.08Å; S364-V376 VanDerWaalsContact N-CG2 3.35Å; T374-V376 VanDerWaalsContact C-N 3.28Å; T374-V376 PolarHBondContact O-N 2.96Å; V376-R378 PolarHBondContact O-N 3.49Å; V376-R378 VanDerWaalsContact O-N 3.15Å; V376-D379 PolarHBondContact O-N 3.47Å; V376-D379 VanDerWaalsContact O-N 3.12Å
377E84.9Confident85.4Confident122 Ų12261.6 Ų61.657%0.5731%0.312SS*.G310 helixtrans-63.9-18.7179.4-81170-125.700114T374 Y375T374-E377 PolarHBondContact O-N 3.43Å; T374-E377 WeakPolarHBondContact OG1-CG 3.35Å; T374-E377 PolarHBondContact OG1-OE1 2.86Å; Y375-E377 VanDerWaalsContact C-N 3.31Å; Y375-E377 PolarHBondContact O-N 3.25Å
378R84.9Confident85.4Confident77 Ų7759.1 Ų59.129%0.29131%0.31SS..G310 helixtrans-100.5-13.7178.2-67.2174.8157.1-132.5-29.4112.9E346 N368 T371 Y375 V376E346-R378 IonicContact OE1-NH1 2.77Å; E346-R378 PolarHBondContact OE1-NH1 3.3Å; E346-R378 VanDerWaalsContact OE1-NH1 3.09Å; E346-R378 IonicContact OE2-NH1 3.74Å; E346-R378 PolarHBondContact OE2-NH1 3.42Å; N368-R378 PolarHBondContact ND2-NH1 3.37Å; T371-R378 VanDerWaalsContact CB-NH2 3.27Å; T371-R378 PolarHBondContact OG1-NE 2.9Å; T371-R378 VanDerWaalsContact OG1-NE 3.17Å; T371-R378 PolarHBondContact OG1-NH1 3.14Å; T371-R378 PolarHBondContact OG1-NH2 3.09Å; Y375-R378 PolarHBondContact O-N 2.91Å; Y375-R378 VanDerWaalsContact O-N 3.15Å; V376-R378 PolarHBondContact O-N 3.49Å; V376-R378 VanDerWaalsContact O-N 3.15Å
379D87.5Confident85.7Confident13 Ų1359.8 Ų59.87%0.0732%0.316CS..SBendtrans-81.8140.8-179.1-63.9-28.5000109.4Y334 T343 R363 Y375 V376 F381Y334-D379 HydrophobicContact CE1-CB 4.43Å; Y334-D379 WeakPolarHBondContact CE1-OD2 3.41Å; Y334-D379 VanDerWaalsContact CZ-OD2 3.31Å; Y334-D379 PolarHBondContact OH-OD2 2.96Å; T343-D379 CarbonylContact O-C 3.53Å; T343-D379 WeakPolarHBondContact O-CA 3.44Å; T343-D379 WeakPolarHBondContact O-CB 3.23Å; R363-D379 IonicContact CZ-OD1 3.41Å; R363-D379 IonicContact CZ-OD2 2.69Å; R363-D379 IonicContact NE-OD1 2.88Å; R363-D379 IonicContact NE-OD2 3.46Å; R363-D379 PolarHBondContact NE-OD2 3.11Å; R363-D379 IonicContact NH2-OD1 3.09Å; R363-D379 PolarHBondContact NH2-OD1 2.85Å; R363-D379 IonicContact NH2-OD2 3.29Å; R363-D379 PolarHBondContact NH2-OD2 3.4Å; Y375-D379 VanDerWaalsContact O-CG 3.26Å; Y375-D379 PolarHBondContact O-N 3.04Å; V376-D379 PolarHBondContact O-N 3.47Å; V376-D379 VanDerWaalsContact O-N 3.12Å; D379-F381 PolarHBondContact O-N 3.29Å
380M85.9Confident86Confident48 Ų4856.6 Ų56.624%0.23630%0.297CS..EExtended strand (participates in β ladder)trans-76.9125.2-179.8-168.1-172.162.700109.7H39 Y342 T343 E345 L382H39-M380 HydrophobicContact CB-CE 3.33Å; H39-M380 VanDerWaalsContact CG-CE 3.4Å; Y342-M380 CarbonylContact C-O 3.59Å; Y342-M380 WeakPolarHBondContact CA-O 3.23Å; T343-M380 PolarHBondContact N-O 2.97Å; T343-M380 PolarHBondContact O-N 3.48Å; E345-M380 HydrophobicContact CG-CB 3.95Å; M380-L382 HydrophobicContact CE-CD1 4.35Å; M380-L382 HydrophobicContact CE-CD2 3.56Å; M380-L382 HydrophobicContact CE-CG 3.96Å
381F85.6Confident86.2Confident67 Ų6756.8 Ų56.829%0.29429%0.291SS..EExtended strand (participates in β ladder)trans-78.6138.4173.1170.6-97.8000110.8K340 Y342 D379 H383K340-F381 HydrophobicContact CB-CE2 4.02Å; K340-F381 HydrophobicContact CD-CE2 3.34Å; K340-F381 HydrophobicContact CD-CZ 3.42Å; K340-F381 VanDerWaalsContact CD-CZ 3.42Å; K340-F381 HydrophobicContact CG-CE2 4.34Å; Y342-F381 HydrophobicContact CD1-CB 4.5Å; Y342-F381 HydrophobicContact CE1-CB 4.2Å; Y342-F381 AromaticContact CE1-CD2 3.88Å; Y342-F381 HydrophobicContact CE1-CD2 3.88Å; Y342-F381 HydrophobicContact CE2-CD2 4.17Å; Y342-F381 AromaticContact CZ-CD2 3.65Å; D379-F381 PolarHBondContact O-N 3.29Å; F381-H383 AromaticContact CE1-CD2 4Å; F381-H383 AromaticContact CE1-CE1 3.88Å; F381-H383 AromaticContact CE1-ND1 3.98Å; F381-H383 AromaticContact CE1-NE2 3.9Å
382L83.4Confident86.4Confident3 Ų360.6 Ų60.62%0.01631%0.309CS..EExtended strand (participates in β ladder)trans-120141.3172.7-65.3169.9000110.9P36 D226 I341 T343 M380 S384P36-L382 HydrophobicContact CB-CD1 3.87Å; D226-L382 WeakPolarHBondContact OD2-CA 3.33Å; I341-L382 HydrophobicContact CB-CB 4.29Å; I341-L382 HydrophobicContact CB-CD1 4.29Å; I341-L382 HydrophobicContact CG2-CD1 3.97Å; I341-L382 WeakPolarHBondContact O-CB 3.43Å; I341-L382 PolarHBondContact O-N 3.5Å; T343-L382 WeakPolarHBondContact OG1-CD1 3.43Å; M380-L382 HydrophobicContact CE-CD1 4.35Å; M380-L382 HydrophobicContact CE-CD2 3.56Å; M380-L382 HydrophobicContact CE-CG 3.96Å; L382-S384 VanDerWaalsContact C-N 3.27Å; L382-S384 PolarHBondContact O-N 3.03Å
383H81.8Confident86.3Confident40 Ų4058 Ų5819%0.18530%0.295CS..EExtended strand (participates in β ladder)trans-73-19.5172.2-76.4-82.4000113.3D226 F381D226-H383 VanDerWaalsContact CG-CD2 3.46Å; D226-H383 VanDerWaalsContact CG-N 3.34Å; D226-H383 PolarHBondContact O-CD2 3.19Å; D226-H383 VanDerWaalsContact O-CD2 3.24Å; D226-H383 VanDerWaalsContact OD1-CB 3.22Å; D226-H383 WeakPolarHBondContact OD1-CB 3.26Å; D226-H383 IonicContact OD1-CD2 2.86Å; D226-H383 PolarHBondContact OD1-CD2 2.69Å; D226-H383 IonicContact OD1-CG 3.74Å; D226-H383 PolarHBondContact OD1-N 3.48Å; D226-H383 IonicContact OD2-CD2 3.77Å; D226-H383 PolarHBondContact OD2-CD2 3.07Å; D226-H383 VanDerWaalsContact OD2-CD2 3.23Å; D226-H383 IonicContact OD2-CG 3.85Å; D226-H383 PolarHBondContact OD2-N 2.94Å; D226-H383 VanDerWaalsContact OD2-N 3.11Å; F381-H383 AromaticContact CE1-CD2 4Å; F381-H383 AromaticContact CE1-CE1 3.88Å; F381-H383 AromaticContact CE1-ND1 3.98Å; F381-H383 AromaticContact CE1-NE2 3.9Å
384S83.5Confident86.3Confident6 Ų653 Ų534%0.04227%0.273CS..EExtended strand (participates in β ladder)trans-62.6143.1175.1-60.50000111.8E34 I341 L382E34-S384 PolarHBondContact O-OG 3.45Å; I341-S384 WeakPolarHBondContact CG1-O 3.33Å; I341-S384 PolarHBondContact N-O 2.86Å; I341-S384 VanDerWaalsContact N-O 3.14Å; L382-S384 VanDerWaalsContact C-N 3.27Å; L382-S384 PolarHBondContact O-N 3.03Å
385R88.3Confident86.2Confident89 Ų8954.7 Ų54.734%0.33629%0.285SS..EExtended strand (participates in β ladder)trans-109.7155.2-177.4-60.8-175.7-167.1171.75.1113.1S235 R240 E339S235-R385 PolarHBondContact O-N 3.13Å; R240-R385 PolarHBondContact NH1-O 3.35Å; R240-R385 PolarHBondContact NH2-O 2.97Å; E339-R385 HydrophobicContact CB-CB 4.49Å; E339-R385 CarbonylContact O-C 3.58Å; E339-R385 WeakPolarHBondContact O-CA 3.17Å; E339-R385 WeakPolarHBondContact O-CB 3.32Å
386Y90.1Very high86.4Confident50 Ų5057.5 Ų57.520%0.19630%0.302CS..  trans-131.5103.4170-174.3-93.2000109.9E237 Y326 P328 V335 E339E237-Y386 VanDerWaalsContact OE2-CA 3.27Å; E237-Y386 WeakPolarHBondContact OE2-CA 3.35Å; Y326-Y386 AromaticContact CD1-CD2 3.75Å; Y326-Y386 HydrophobicContact CD1-CD2 3.75Å; Y326-Y386 HydrophobicContact CD1-CE2 4.04Å; Y326-Y386 AromaticContact CE1-CD2 3.78Å; Y326-Y386 HydrophobicContact CE1-CD2 3.78Å; Y326-Y386 HydrophobicContact CE1-CE2 4.4Å; Y326-Y386 WeakPolarHBondContact O-CE2 3.4Å; P328-Y386 HydrophobicContact CG-CD1 3.98Å; P328-Y386 HydrophobicContact CG-CD2 3.9Å; P328-Y386 HydrophobicContact CG-CE1 4.38Å; P328-Y386 HydrophobicContact CG-CE2 4.3Å; P328-Y386 HydrophobicContact CG-CG 3.71Å; V335-Y386 HydrophobicContact CG2-CD1 3.81Å; V335-Y386 HydrophobicContact CG2-CG 4.27Å; E339-Y386 PolarHBondContact O-N 3.21Å
387I88.4Confident86.3Confident84 Ų8456.4 Ų56.443%0.43130%0.296SS..  trans-86.7-23.2-178.3-49.7-177.4000110.6D236 E237 E339D236-I387 HydrophobicContact CB-CD1 3.62Å; D236-I387 HydrophobicContact CB-CG1 4.03Å; E237-I387 WeakPolarHBondContact OE1-CA 3.29Å; E237-I387 WeakPolarHBondContact OE1-CB 3.47Å; E237-I387 PolarHBondContact OE1-N 3.11Å; E237-I387 VanDerWaalsContact OE1-N 3.16Å; E237-I387 PolarHBondContact OE2-N 2.67Å; E339-I387 WeakPolarHBondContact OE2-CG1 3.43Å
388G87.7Confident86.3Confident41 Ų4154 Ų5442%0.42328%0.283SS..  trans78.233-174.700000112.5E237E237-G388 PolarHBondContact OE1-N 3.16Å
389A87.6Confident86.4Confident23 Ų2355.1 Ų55.119%0.1929%0.294CS..  trans-53.2142.2176.800000111.6E237 V238 K394E237-A389 HydrophobicContact CG-CB 4.43Å; E237-A389 WeakPolarHBondContact OE1-CB 3.46Å; E237-A389 PolarHBondContact OE1-N 3.13Å; V238-A389 HydrophobicContact CG2-CB 3.65Å; A389-K394 VanDerWaalsContact O-CE 3.27Å; A389-K394 WeakPolarHBondContact O-CE 3.18Å
390S88.2Confident86.5Confident55 Ų5557 Ų5739%0.38531%0.307SS..  trans-58.6150.217864.20000111.2D392 I393 K394S390-D392 PolarHBondContact O-N 3.23Å; S390-I393 PolarHBondContact O-N 3.24Å; S390-I393 WeakPolarHBondContact OG-CD1 3.45Å; S390-I393 WeakPolarHBondContact OG-CG1 3.47Å; S390-K394 PolarHBondContact O-N 2.93Å
391L85.8Confident86.5Confident92 Ų9254.8 Ų54.848%0.48230%0.296SS..Hα-helixtrans-56.6-33.2176.2-73.3170.5000111.4F325 I393 K394 C395F325-L391 HydrophobicContact CD1-CD2 4.13Å; F325-L391 HydrophobicContact CE1-CD2 4.14Å; L391-I393 PolarHBondContact O-N 3.27Å; L391-K394 PolarHBondContact O-N 3.43Å; L391-C395 WeakPolarHBondContact O-CB 3.32Å; L391-C395 PolarHBondContact O-N 2.82Å; L391-C395 PolarHBondContact O-SG 3.27Å
392D86.2Confident86.7Confident129 Ų12955.6 Ų55.669%0.6930%0.303SS*.Hα-helixtrans-61.1-43179.5-58.1-24.4000112.5S390 C395 L396S390-D392 PolarHBondContact O-N 3.23Å; D392-C395 PolarHBondContact O-N 3.47Å; D392-L396 PolarHBondContact O-N 3.37Å
393I87.3Confident87Confident80 Ų8058.2 Ų58.241%0.4133%0.325SS..Hα-helixtrans-67.4-42.7177.6-64.9167.7000110V238 S390 L391 C395 L396V238-I393 HydrophobicContact CG1-CG2 4.27Å; V238-I393 HydrophobicContact CG2-CG2 4.09Å; S390-I393 PolarHBondContact O-N 3.24Å; S390-I393 WeakPolarHBondContact OG-CD1 3.45Å; S390-I393 WeakPolarHBondContact OG-CG1 3.47Å; L391-I393 PolarHBondContact O-N 3.27Å; I393-C395 VanDerWaalsContact C-N 3.28Å; I393-C395 PolarHBondContact O-N 3.4Å; I393-L396 VanDerWaalsContact O-CB 3.32Å; I393-L396 WeakPolarHBondContact O-CB 3.32Å; I393-L396 PolarHBondContact O-N 3.47Å; I393-L396 VanDerWaalsContact O-N 3.15Å
394K86.3Confident87.3Confident6 Ų657 Ų573%0.02632%0.322CS..Hα-helixtrans-62.9-37176.3-63.6179.4-178.9-175.50111.6V238 I324 A389 S390 L391 L396 A397V238-K394 HydrophobicContact CG2-CG 4.46Å; I324-K394 HydrophobicContact CD1-CB 3.94Å; I324-K394 WeakPolarHBondContact CD1-O 3.42Å; I324-K394 WeakPolarHBondContact O-CD 3.39Å; I324-K394 PolarHBondContact O-NZ 3.5Å; A389-K394 VanDerWaalsContact O-CE 3.27Å; A389-K394 WeakPolarHBondContact O-CE 3.18Å; S390-K394 PolarHBondContact O-N 2.93Å; L391-K394 PolarHBondContact O-N 3.43Å; K394-L396 PolarHBondContact O-N 3.38Å; K394-A397 VanDerWaalsContact O-CB 3.29Å; K394-A397 WeakPolarHBondContact O-CB 3.41Å; K394-A397 PolarHBondContact O-N 2.9Å; K394-A397 VanDerWaalsContact O-N 3.07Å
395C84.8Confident87.5Confident66 Ų6659.8 Ų59.845%0.44633%0.334SS..Hα-helixtrans-64.9-19.2176.6-76.70000113.4L391 D392 I393 A397 F398L391-C395 WeakPolarHBondContact O-CB 3.32Å; L391-C395 PolarHBondContact O-N 2.82Å; L391-C395 PolarHBondContact O-SG 3.27Å; D392-C395 PolarHBondContact O-N 3.47Å; I393-C395 VanDerWaalsContact C-N 3.28Å; I393-C395 PolarHBondContact O-N 3.4Å; C395-A397 PolarHBondContact O-N 3.46Å; C395-F398 WeakPolarHBondContact O-CB 3.34Å; C395-F398 PolarHBondContact O-N 2.88Å
396L88.6Confident87.5Confident94 Ų9460.1 Ų60.149%0.49235%0.345SS..Hα-helixtrans-61.5-32171.2-64.1177.2000111.9F242 D392 I393 K394 F398 I399F242-L396 HydrophobicContact CZ-CB 4.24Å; D392-L396 PolarHBondContact O-N 3.37Å; I393-L396 VanDerWaalsContact O-CB 3.32Å; I393-L396 WeakPolarHBondContact O-CB 3.32Å; I393-L396 PolarHBondContact O-N 3.47Å; I393-L396 VanDerWaalsContact O-N 3.15Å; K394-L396 PolarHBondContact O-N 3.38Å; L396-F398 PolarHBondContact O-N 3.29Å; L396-I399 HydrophobicContact CD2-CD1 3.73Å; L396-I399 PolarHBondContact O-N 3.41Å
397A85.9Confident87.4Confident0 Ų061.5 Ų61.50%036%0.356CS..THydrogen-bonded Turntrans-65.2-16.9173.200000112.5A241 F242 S245 K394 C395 P400A241-A397 HydrophobicContact CB-CB 4.04Å; F242-A397 HydrophobicContact CD1-CB 3.96Å; F242-A397 HydrophobicContact CD2-CB 3.98Å; F242-A397 HydrophobicContact CE1-CB 4.1Å; F242-A397 HydrophobicContact CE2-CB 4.1Å; F242-A397 HydrophobicContact CG-CB 3.9Å; F242-A397 HydrophobicContact CZ-CB 4.16Å; S245-A397 WeakPolarHBondContact CB-O 3.37Å; S245-A397 PolarHBondContact OG-O 2.99Å; K394-A397 VanDerWaalsContact O-CB 3.29Å; K394-A397 WeakPolarHBondContact O-CB 3.41Å; K394-A397 PolarHBondContact O-N 2.9Å; K394-A397 VanDerWaalsContact O-N 3.07Å; C395-A397 PolarHBondContact O-N 3.46Å; A397-P400 WeakPolarHBondContact O-CD 3.45Å
398F83.9Confident87.3Confident71 Ų7159 Ų5931%0.31134%0.342SS..Hα-helixtrans-80.6-20176.8-168.7-127000113.6W320 C395 L396 S401 L402W320-F398 HydrophobicContact CH2-CB 4.4Å; W320-F398 AromaticContact CH2-CD2 3.24Å; W320-F398 HydrophobicContact CH2-CD2 3.24Å; W320-F398 AromaticContact CH2-CE2 3.58Å; W320-F398 HydrophobicContact CH2-CE2 3.58Å; W320-F398 AromaticContact CH2-CG 3.93Å; W320-F398 HydrophobicContact CH2-CG 3.93Å; W320-F398 HydrophobicContact CZ2-CB 3.81Å; W320-F398 AromaticContact CZ2-CD2 3.17Å; W320-F398 HydrophobicContact CZ2-CD2 3.17Å; W320-F398 AromaticContact CZ2-CE2 3.96Å; W320-F398 HydrophobicContact CZ2-CE2 3.96Å; W320-F398 AromaticContact CZ2-CG 3.77Å; W320-F398 HydrophobicContact CZ2-CG 3.77Å; W320-F398 HydrophobicContact CZ3-CD2 4.14Å; W320-F398 HydrophobicContact CZ3-CE2 4.1Å; C395-F398 WeakPolarHBondContact O-CB 3.34Å; C395-F398 PolarHBondContact O-N 2.88Å; L396-F398 PolarHBondContact O-N 3.29Å; F398-S401 PolarHBondContact O-N 2.53Å; F398-S401 PolarHBondContact O-OG 3.43Å; F398-L402 HydrophobicContact CD1-CB 4.09Å; F398-L402 HydrophobicContact CD1-CD2 4.3Å; F398-L402 HydrophobicContact CE1-CB 3.89Å; F398-L402 HydrophobicContact CE1-CD1 3.96Å; F398-L402 HydrophobicContact CE1-CD2 3.99Å; F398-L402 HydrophobicContact CE1-CG 4.16Å; F398-L402 HydrophobicContact CZ-CB 4.17Å; F398-L402 HydrophobicContact CZ-CD1 4.1Å; F398-L402 VanDerWaalsContact O-CB 3.28Å; F398-L402 WeakPolarHBondContact O-CB 3.32Å; F398-L402 PolarHBondContact O-N 2.84Å
399I88.6Confident87.1Confident101 Ų10158.7 Ų58.752%0.51834%0.339SS..Hα-helixtrans-60.6-47.4-173.1-62.1171.7000111.8L396 A403L396-I399 HydrophobicContact CD2-CD1 3.73Å; L396-I399 PolarHBondContact O-N 3.41Å; I399-A403 WeakPolarHBondContact O-CB 3.27Å; I399-A403 PolarHBondContact O-N 3.03Å
400P87.9Confident87Confident53 Ų5362.3 Ų62.334%0.34435%0.35SS..Hα-helixtrans-65.5-42-179.7-2134.6000112.7V249 A397 A403 A404V249-P400 HydrophobicContact CG2-CB 4.16Å; A397-P400 WeakPolarHBondContact O-CD 3.45Å; P400-A403 PolarHBondContact O-N 3.07Å; P400-A404 WeakPolarHBondContact O-CB 3.4Å; P400-A404 PolarHBondContact O-N 3.32Å
401S87.6Confident86.7Confident1 Ų162.6 Ų62.61%0.00735%0.345CS..Hα-helixtrans-65.9-45.7178.3400000111.4S245 F398 A403 A404 F405S245-S401 WeakPolarHBondContact OG-CB 3.37Å; S245-S401 PolarHBondContact OG-OG 3.13Å; S245-S401 VanDerWaalsContact OG-OG 3.06Å; F398-S401 PolarHBondContact O-N 2.53Å; F398-S401 PolarHBondContact O-OG 3.43Å; S401-A403 PolarHBondContact O-N 3.08Å; S401-A404 PolarHBondContact O-N 3.18Å; S401-F405 WeakPolarHBondContact O-CD2 3.4Å; S401-F405 PolarHBondContact O-N 2.74Å
402L88.8Confident86.5Confident83 Ų8359 Ų5944%0.43533%0.327SS..Hα-helixtrans-59.5-45.5175.3-177.864.2000111.6F398 A404 F405 V406F398-L402 HydrophobicContact CD1-CB 4.09Å; F398-L402 HydrophobicContact CD1-CD2 4.3Å; F398-L402 HydrophobicContact CE1-CB 3.89Å; F398-L402 HydrophobicContact CE1-CD1 3.96Å; F398-L402 HydrophobicContact CE1-CD2 3.99Å; F398-L402 HydrophobicContact CE1-CG 4.16Å; F398-L402 HydrophobicContact CZ-CB 4.17Å; F398-L402 HydrophobicContact CZ-CD1 4.1Å; F398-L402 VanDerWaalsContact O-CB 3.28Å; F398-L402 WeakPolarHBondContact O-CB 3.32Å; F398-L402 PolarHBondContact O-N 2.84Å; L402-A404 VanDerWaalsContact C-N 3.31Å; L402-A404 PolarHBondContact O-N 2.72Å; L402-F405 PolarHBondContact O-N 2.96Å; L402-V406 HydrophobicContact CD1-CG2 4.31Å; L402-V406 HydrophobicContact CG-CG2 4.44Å; L402-V406 WeakPolarHBondContact O-CB 3.17Å; L402-V406 VanDerWaalsContact O-CG2 3.26Å; L402-V406 WeakPolarHBondContact O-CG2 3.44Å; L402-V406 PolarHBondContact O-N 2.71Å
403A89.4Confident86.2Confident58 Ų5859.9 Ų59.948%0.47932%0.32SS..Hα-helixtrans-60.1-42.7176.600000111.6I399 P400 S401 V406 L407I399-A403 WeakPolarHBondContact O-CB 3.27Å; I399-A403 PolarHBondContact O-N 3.03Å; P400-A403 PolarHBondContact O-N 3.07Å; S401-A403 PolarHBondContact O-N 3.08Å; A403-V406 PolarHBondContact O-N 2.68Å; A403-L407 VanDerWaalsContact O-CB 3.25Å; A403-L407 WeakPolarHBondContact O-CB 3.48Å; A403-L407 PolarHBondContact O-N 2.85Å
404A87.5Confident85.8Confident15 Ų1559.9 Ų59.912%0.12432%0.321CS..Hα-helixtrans-63.2-46.7176.600000111.5V249 L252 P400 S401 L402 V406 L407 F408V249-A404 HydrophobicContact CG1-CB 4.48Å; V249-A404 HydrophobicContact CG2-CB 4.1Å; L252-A404 HydrophobicContact CD2-CB 3.61Å; L252-A404 WeakPolarHBondContact CD2-O 3.15Å; P400-A404 WeakPolarHBondContact O-CB 3.4Å; P400-A404 PolarHBondContact O-N 3.32Å; S401-A404 PolarHBondContact O-N 3.18Å; L402-A404 VanDerWaalsContact C-N 3.31Å; L402-A404 PolarHBondContact O-N 2.72Å; A404-V406 PolarHBondContact O-N 2.99Å; A404-L407 PolarHBondContact O-N 2.71Å; A404-F408 WeakPolarHBondContact O-CB 3.19Å; A404-F408 PolarHBondContact O-N 3.37Å
405F88.3Confident85.3Confident65 Ų6564.7 Ų64.729%0.28534%0.342SS..Hα-helixtrans-62.1-41.8176.3-83.8-67.4000112.8L252 L313 S401 L402 F408 G409L252-F405 HydrophobicContact CD1-CE1 4.43Å; L252-F405 HydrophobicContact CD2-CD1 4.44Å; L313-F405 HydrophobicContact CD1-CZ 4.3Å; L313-F405 HydrophobicContact CD2-CE1 4.21Å; L313-F405 HydrophobicContact CD2-CZ 4.37Å; S401-F405 WeakPolarHBondContact O-CD2 3.4Å; S401-F405 PolarHBondContact O-N 2.74Å; L402-F405 PolarHBondContact O-N 2.96Å; F405-F408 PolarHBondContact O-N 3.08Å; F405-G409 PolarHBondContact O-N 2.86Å
406V89.2Confident84.5Confident95 Ų9561.6 Ų61.658%0.57632%0.322SS*.Hα-helixtrans-63.3-44.2175.5169.50000110.3L402 A403 A404 G409 F410L402-V406 HydrophobicContact CD1-CG2 4.31Å; L402-V406 HydrophobicContact CG-CG2 4.44Å; L402-V406 WeakPolarHBondContact O-CB 3.17Å; L402-V406 VanDerWaalsContact O-CG2 3.26Å; L402-V406 WeakPolarHBondContact O-CG2 3.44Å; L402-V406 PolarHBondContact O-N 2.71Å; A403-V406 PolarHBondContact O-N 2.68Å; A404-V406 PolarHBondContact O-N 2.99Å; V406-G409 PolarHBondContact O-N 2.83Å; V406-F410 WeakPolarHBondContact O-CB 3.22Å; V406-F410 PolarHBondContact O-N 2.87Å
407L87.1Confident83.7Confident79 Ų7961.3 Ų61.341%0.41431%0.314SS..Hα-helixtrans-64.2-45.2178.3-175.565.6000111.8M256 A403 A404 F410 F411M256-L407 HydrophobicContact CE-CD2 3.92Å; M256-L407 HydrophobicContact CE-CG 4.15Å; A403-L407 VanDerWaalsContact O-CB 3.25Å; A403-L407 WeakPolarHBondContact O-CB 3.48Å; A403-L407 PolarHBondContact O-N 2.85Å; A404-L407 PolarHBondContact O-N 2.71Å; L407-F410 PolarHBondContact O-N 3.26Å; L407-F411 HydrophobicContact CD1-CD2 3.99Å; L407-F411 HydrophobicContact CD1-CE2 3.38Å; L407-F411 HydrophobicContact CD1-CZ 3.83Å; L407-F411 HydrophobicContact CD2-CE2 3.99Å; L407-F411 HydrophobicContact CG-CD2 3.82Å; L407-F411 HydrophobicContact CG-CE2 3.45Å; L407-F411 VanDerWaalsContact CG-CE2 3.45Å; L407-F411 HydrophobicContact CG-CZ 4.37Å; L407-F411 WeakPolarHBondContact O-CD2 3.35Å; L407-F411 PolarHBondContact O-N 2.99Å
408F86.4Confident82.6Confident31 Ų3162.9 Ų62.914%0.13632%0.321CS..Hα-helixtrans-58.7-50.5174.3174.7-92.2000111.4L252 V255 M256 F261 F310 A404 F405 F410 F411 V412L252-F408 HydrophobicContact CD1-CB 3.96Å; L252-F408 HydrophobicContact CD1-CD1 4.14Å; L252-F408 HydrophobicContact CD1-CD2 3.53Å; L252-F408 HydrophobicContact CD1-CE2 3.99Å; L252-F408 HydrophobicContact CD1-CG 3.62Å; L252-F408 HydrophobicContact CD1-CZ 4.49Å; L252-F408 HydrophobicContact CD2-CB 3.65Å; L252-F408 HydrophobicContact CD2-CG 4.28Å; L252-F408 HydrophobicContact CG-CB 4Å; L252-F408 HydrophobicContact CG-CD2 4.01Å; L252-F408 HydrophobicContact CG-CG 4.14Å; V255-F408 HydrophobicContact CB-CE2 4.35Å; V255-F408 HydrophobicContact CG1-CE2 3.79Å; V255-F408 HydrophobicContact CG1-CZ 4.43Å; M256-F408 HydrophobicContact CG-CD2 3.85Å; M256-F408 HydrophobicContact SD-CB 4.24Å; M256-F408 HydrophobicContact SD-CD2 4.4Å; F261-F408 HydrophobicContact CD2-CE2 4.26Å; F261-F408 AromaticContact CE2-CD2 3.67Å; F261-F408 HydrophobicContact CE2-CD2 3.67Å; F261-F408 AromaticContact CE2-CE2 3.36Å; F261-F408 HydrophobicContact CE2-CE2 3.36Å; F261-F408 HydrophobicContact CE2-CZ 4.16Å; F261-F408 AromaticContact CZ-CD2 3.78Å; F261-F408 HydrophobicContact CZ-CD2 3.78Å; F261-F408 AromaticContact CZ-CE2 3.97Å; F261-F408 HydrophobicContact CZ-CE2 3.97Å; F310-F408 HydrophobicContact CZ-CZ 4.49Å; A404-F408 WeakPolarHBondContact O-CB 3.19Å; A404-F408 PolarHBondContact O-N 3.37Å; F405-F408 PolarHBondContact O-N 3.08Å; F408-F410 VanDerWaalsContact C-N 3.32Å; F408-F410 PolarHBondContact O-N 2.69Å; F408-F411 PolarHBondContact O-N 2.93Å; F408-V412 HydrophobicContact CD1-CG2 4.34Å; F408-V412 HydrophobicContact CE1-CG2 4.01Å; F408-V412 HydrophobicContact CE2-CG2 4.44Å; F408-V412 HydrophobicContact CZ-CG2 4.06Å; F408-V412 WeakPolarHBondContact O-CG2 3.04Å; F408-V412 PolarHBondContact O-N 3.17Å
409G84.3Confident81.3Confident35 Ų3566.1 Ų66.136%0.36134%0.337SS..Hα-helixtrans-61.2-40.5177.800000112.4F405 V406 V412 W413F405-G409 PolarHBondContact O-N 2.86Å; V406-G409 PolarHBondContact O-N 2.83Å; G409-V412 PolarHBondContact O-N 3.36Å; G409-W413 WeakPolarHBondContact O-CB 3.44Å; G409-W413 PolarHBondContact O-N 3.43Å
410F85.3Confident79.6Confident100 Ų10067.6 Ų67.644%0.43935%0.346SS..Hα-helixtrans-61.2-46.8175.1175.8-100000111.7V406 L407 F408 W413 L414V406-F410 WeakPolarHBondContact O-CB 3.22Å; V406-F410 PolarHBondContact O-N 2.87Å; L407-F410 PolarHBondContact O-N 3.26Å; F408-F410 VanDerWaalsContact C-N 3.32Å; F408-F410 PolarHBondContact O-N 2.69Å; F410-W413 PolarHBondContact O-N 3.12Å; F410-L414 HydrophobicContact CE1-CD2 3.91Å; F410-L414 HydrophobicContact CZ-CD2 3.84Å; F410-L414 VanDerWaalsContact O-CB 3.25Å; F410-L414 WeakPolarHBondContact O-CB 3.37Å; F410-L414 PolarHBondContact O-N 2.77Å
411F81.8Confident77.5Confident60 Ų6069.4 Ų69.426%0.26336%0.36SS..Hα-helixtrans-66.6-40.7178-75.2-50.5000113M256 F261 L407 F408 W413 L414 F415M256-F411 HydrophobicContact CE-CD2 3.89Å; M256-F411 HydrophobicContact CE-CE2 3.93Å; F261-F411 HydrophobicContact CE1-CB 3.82Å; F261-F411 HydrophobicContact CE1-CD2 4.44Å; F261-F411 HydrophobicContact CE1-CG 4.41Å; F261-F411 HydrophobicContact CZ-CB 3.97Å; L407-F411 HydrophobicContact CD1-CD2 3.99Å; L407-F411 HydrophobicContact CD1-CE2 3.38Å; L407-F411 HydrophobicContact CD1-CZ 3.83Å; L407-F411 HydrophobicContact CD2-CE2 3.99Å; L407-F411 HydrophobicContact CG-CD2 3.82Å; L407-F411 HydrophobicContact CG-CE2 3.45Å; L407-F411 VanDerWaalsContact CG-CE2 3.45Å; L407-F411 HydrophobicContact CG-CZ 4.37Å; L407-F411 WeakPolarHBondContact O-CD2 3.35Å; L407-F411 PolarHBondContact O-N 2.99Å; F408-F411 PolarHBondContact O-N 2.93Å; F411-W413 VanDerWaalsContact C-N 3.32Å; F411-W413 PolarHBondContact O-N 2.7Å; F411-L414 PolarHBondContact O-N 3.28Å; F411-F415 AromaticContact CD1-CD2 3.75Å; F411-F415 HydrophobicContact CD1-CD2 3.75Å; F411-F415 AromaticContact CD1-CE2 3.58Å; F411-F415 HydrophobicContact CD1-CE2 3.58Å; F411-F415 AromaticContact CE1-CE2 3.93Å; F411-F415 HydrophobicContact CE1-CE2 3.93Å; F411-F415 WeakPolarHBondContact O-CB 3.47Å; F411-F415 PolarHBondContact O-N 3.36Å
412V81.8Confident75.5Confident17 Ų1773.8 Ų73.810%0.10338%0.38CS..Hα-helixtrans-63-41.1174.11720000110.9L99 M101 F261 P262 F408 G409 G416L99-V412 HydrophobicContact CD2-CG1 4.01Å; M101-V412 HydrophobicContact CE-CG1 4Å; F261-V412 HydrophobicContact CE2-CG2 3.88Å; F261-V412 HydrophobicContact CZ-CG2 4.04Å; P262-V412 HydrophobicContact CB-CG2 4.21Å; F408-V412 HydrophobicContact CD1-CG2 4.34Å; F408-V412 HydrophobicContact CE1-CG2 4.01Å; F408-V412 HydrophobicContact CE2-CG2 4.44Å; F408-V412 HydrophobicContact CZ-CG2 4.06Å; F408-V412 WeakPolarHBondContact O-CG2 3.04Å; F408-V412 PolarHBondContact O-N 3.17Å; G409-V412 PolarHBondContact O-N 3.36Å; V412-G416 CarbonylContact O-C 3.49Å; V412-G416 WeakPolarHBondContact O-CA 3.32Å; V412-G416 PolarHBondContact O-N 3.08Å
413W79.4Confident73.2Confident147 Ų14775.5 Ų75.556%0.55739%0.394SS*.Hα-helixtrans-69.6-41.6178.9179.384.9000112.8G409 F410 F411 R417G409-W413 WeakPolarHBondContact O-CB 3.44Å; G409-W413 PolarHBondContact O-N 3.43Å; F410-W413 PolarHBondContact O-N 3.12Å; F411-W413 VanDerWaalsContact C-N 3.32Å; F411-W413 PolarHBondContact O-N 2.7Å; W413-R417 WeakPolarHBondContact O-CD 3.2Å; W413-R417 WeakPolarHBondContact O-CG 3.39Å
414L79.6Confident70.8Confident81 Ų8180 Ų8042%0.42440%0.403SS..Hα-helixtrans-77.1-46.7-175.8-173.168.7000112.4F410 F411F410-L414 HydrophobicContact CE1-CD2 3.91Å; F410-L414 HydrophobicContact CZ-CD2 3.84Å; F410-L414 VanDerWaalsContact O-CB 3.25Å; F410-L414 WeakPolarHBondContact O-CB 3.37Å; F410-L414 PolarHBondContact O-N 2.77Å; F411-L414 PolarHBondContact O-N 3.28Å
415F76.1Confident68.2Low106 Ų10685.7 Ų85.747%0.46544%0.437SS..Hα-helixtrans-106.3-22-172.5-61.7-60.8000113.4P262 H263 F411P262-F415 HydrophobicContact CG-CB 3.53Å; H263-F415 PolarHBondContact CE1-O 3.4Å; H263-F415 PolarHBondContact NE2-O 3.14Å; H263-F415 VanDerWaalsContact NE2-O 3.08Å; F411-F415 AromaticContact CD1-CD2 3.75Å; F411-F415 HydrophobicContact CD1-CD2 3.75Å; F411-F415 AromaticContact CD1-CE2 3.58Å; F411-F415 HydrophobicContact CD1-CE2 3.58Å; F411-F415 AromaticContact CE1-CE2 3.93Å; F411-F415 HydrophobicContact CE1-CE2 3.93Å; F411-F415 WeakPolarHBondContact O-CB 3.47Å; F411-F415 PolarHBondContact O-N 3.36Å
416G67.3Low65.6Low2 Ų289.3 Ų89.32%0.02145%0.454CS..SBendtrans-85.2-3.4-178.300000114.9K100 V412K100-G416 WeakPolarHBondContact CB-O 3.32Å; K100-G416 PolarHBondContact N-O 3.15Å; V412-G416 CarbonylContact O-C 3.49Å; V412-G416 WeakPolarHBondContact O-CA 3.32Å; V412-G416 PolarHBondContact O-N 3.08Å
417R72.6Confident62.8Low87 Ų8790.8 Ų90.833%0.32846%0.459SS..BIsolated β-bridgetrans-95.6151-179-65-176.780.6-173.6-2112.4L97 R98 L99 K100 W413 Q419L97-R417 PolarHBondContact O-NE 3.12Å; R98-R417 WeakPolarHBondContact O-CA 3.1Å; L99-R417 HydrophobicContact CD2-CG 4.25Å; K100-R417 WeakPolarHBondContact CE-O 3.35Å; W413-R417 WeakPolarHBondContact O-CD 3.2Å; W413-R417 WeakPolarHBondContact O-CG 3.39Å; R417-Q419 PolarHBondContact O-N 2.84Å
418F61.5Low60.1Low34 Ų3495.1 Ų95.115%0.14948%0.477CS..PPolyproline II helixtrans-64.6130.5167.2-71.4-83.2000110.3R98 K100 E422R98-F418 HydrophobicContact CB-CB 4.43Å; R98-F418 HydrophobicContact CB-CD2 4.08Å; R98-F418 VanDerWaalsContact O-CD2 3.26Å; R98-F418 WeakPolarHBondContact O-CD2 3.3Å; R98-F418 PolarHBondContact O-N 3.43Å; R98-F418 VanDerWaalsContact O-N 3.16Å; K100-F418 HydrophobicContact CB-CE2 4.39Å; K100-F418 HydrophobicContact CB-CZ 4.41Å; K100-F418 HydrophobicContact CD-CD1 4.48Å; K100-F418 HydrophobicContact CD-CE1 4.47Å; K100-F418 HydrophobicContact CG-CD1 4.08Å; K100-F418 HydrophobicContact CG-CD2 3.96Å; K100-F418 HydrophobicContact CG-CE1 3.95Å; K100-F418 HydrophobicContact CG-CE2 3.82Å; K100-F418 HydrophobicContact CG-CG 4.08Å; K100-F418 HydrophobicContact CG-CZ 3.81Å; F418-E422 HydrophobicContact CD1-CB 4.39Å; F418-E422 VanDerWaalsContact CD1-OE2 3.31Å; F418-E422 WeakPolarHBondContact CD1-OE2 3.45Å
419Q57.9Low57.6Low138 Ų138100.9 Ų100.965%0.64551%0.509SS*.PPolyproline II helixtrans-70140.6165.5-74.2-178.6-14.500108.4R417 S421 E422R417-Q419 PolarHBondContact O-N 2.84Å; Q419-S421 PolarHBondContact O-N 3.37Å; Q419-E422 PolarHBondContact O-N 2.76Å
420D51.4Low55.3Low132 Ų132109 Ų10971%0.70654%0.535SS*.THydrogen-bonded Turntrans-57.5-15.9-177.3-74.1-47.5000113.8R98R98-D420 IonicContact CZ-OD1 2.66Å; R98-D420 IonicContact NH1-OD1 3.39Å; R98-D420 PolarHBondContact NH1-OD1 3.29Å
421S43.4Very low52.6Low91 Ų91106.3 Ų106.364%0.63653%0.531SS*.THydrogen-bonded Turntrans-82.1-15.4174.756.20000115Q419 T423Q419-S421 PolarHBondContact O-N 3.37Å; S421-T423 PolarHBondContact O-N 2.9Å
422E47.5Very low50.1Low94 Ų94113.5 Ų113.544%0.43956%0.558SS.*SBendtrans-82.761.1168.9-70.5-178.7178.100108.7K100 F418 Q419 F424K100-E422 VanDerWaalsContact CE-OE2 3.24Å; K100-E422 WeakPolarHBondContact CE-OE2 3.21Å; K100-E422 IonicContact NZ-OE1 3.23Å; K100-E422 PolarHBondContact NZ-OE1 3.34Å; K100-E422 IonicContact NZ-OE2 3.93Å; K100-E422 PolarHBondContact NZ-OE2 2.74Å; F418-E422 HydrophobicContact CD1-CB 4.39Å; F418-E422 VanDerWaalsContact CD1-OE2 3.31Å; F418-E422 WeakPolarHBondContact CD1-OE2 3.45Å; Q419-E422 PolarHBondContact O-N 2.76Å; E422-F424 PolarHBondContact O-N 3.15Å; E422-F424 VanDerWaalsContact O-N 3.16Å
423T38.8Very low47.6Very low119 Ų119122.2 Ų122.273%0.7360%0.597SS**  trans-60119.1170.927.30000109.4S421 T425S421-T423 PolarHBondContact O-N 2.9Å; T423-T425 PolarHBondContact O-N 2.77Å; T423-T425 VanDerWaalsContact O-N 3.15Å
424F39.2Very low45.2Very low153 Ų153125.5 Ų125.567%0.67161%0.61SS**  trans-41.3114.6168.4-77.7-104.9000111.2E422 E426E422-F424 PolarHBondContact O-N 3.15Å; E422-F424 VanDerWaalsContact O-N 3.16Å; F424-E426 PolarHBondContact O-N 3.11Å
425T33.1Very low43.1Very low134 Ų134128 Ų12882%0.82262%0.622SS**  trans-69.186.1143.1-7.30000105.3T423 N427T423-T425 PolarHBondContact O-N 2.77Å; T423-T425 VanDerWaalsContact O-N 3.15Å; T425-N427 VanDerWaalsContact C-N 3.32Å; T425-N427 PolarHBondContact O-N 2.69Å
426E33.5Very low40.9Very low140 Ų140132.3 Ų132.365%0.65464%0.64SS**  trans-54.7107.7158.2-169.6172.8-157.800104.8F424 Q428F424-E426 PolarHBondContact O-N 3.11Å; E426-Q428 PolarHBondContact O-N 3.19Å
427N30.4Very low39.3Very low127 Ų127143.4 Ų143.468%0.67968%0.682SS**  trans-5697.4168.9-89.7-26.3000106.2T425 D429 K430T425-N427 VanDerWaalsContact C-N 3.32Å; T425-N427 PolarHBondContact O-N 2.69Å; N427-D429 PolarHBondContact O-N 3.38Å; N427-K430 PolarHBondContact O-N 3.29Å
428Q31.3Very low37.4Very low170 Ų170147.4 Ų147.479%0.79470%0.701SS**THydrogen-bonded Turntrans-58.8-6.3174.3-90.9-172.2-2900112.3E426 K430E426-Q428 PolarHBondContact O-N 3.19Å; Q428-K430 PolarHBondContact O-N 2.91Å
429D34.2Very low36.1Very low151 Ų151148.9 Ų148.981%0.80772%0.716SS**THydrogen-bonded Turntrans-85.70.7-178.8-64.3-20.4000114.5N427N427-D429 PolarHBondContact O-N 3.38Å
430K35.8Very low35Very low207 Ų207148.1 Ų148.190%0.972%0.723SS**SBendtrans-131.37174.9-72.5-170.6179.41780116.2N427 Q428N427-K430 PolarHBondContact O-N 3.29Å; Q428-K430 PolarHBondContact O-N 2.91Å
431A28Very low34.6Very low43 Ų43145.7 Ų145.736%0.35572%0.717SS.*SBendtrans-121.4121.4170.600000110.1
432Y30Very low34.5Very low210 Ų210146.5 Ų146.582%0.82471%0.71SS**  trans83.466.1170.7-54.7-85.2000118.2R434Y432-R434 PolarHBondContact O-N 3.23Å
433E29.4Very low34Very low200 Ų200151.1 Ų151.194%0.93573%0.725SS**  trans-66.783132.1-88.4-160.2158.200108.1I435E433-I435 PolarHBondContact O-N 3.34Å
434R28.8Very low34.1Very low217 Ų217150.1 Ų150.182%0.81972%0.723SS**  trans-51.9111.5163.6-179.5-176.1-98.3179.9-7.3106.5Y432 K436Y432-R434 PolarHBondContact O-N 3.23Å; R434-K436 VanDerWaalsContact C-N 3.33Å; R434-K436 PolarHBondContact O-N 3.17Å
435I35.5Very low34.1Very low134 Ų134151.8 Ų151.869%0.68773%0.73SS**  trans-4295.6170-61.7165.1000108.7E433 R437E433-I435 PolarHBondContact O-N 3.34Å; I435-R437 PolarHBondContact O-N 2.89Å
436K29.8Very low34.3Very low195 Ų195153.4 Ų153.485%0.84873%0.728SS**  trans-84.594158.5-96.5-171.1177-179.20105.8R434 K438R434-K436 VanDerWaalsContact C-N 3.33Å; R434-K436 PolarHBondContact O-N 3.17Å; K436-K438 PolarHBondContact O-N 2.62Å
437R33.5Very low34.4Very low236 Ų236155 Ų15589%0.89174%0.737SS**  trans-58.7101164.8-155.2179.6-167178.82.7106.5I435 S439I435-R437 PolarHBondContact O-N 2.89Å; R437-S439 PolarHBondContact O-N 3.02Å
438K32.7Very low34.7Very low170 Ų170152.4 Ų152.474%0.73974%0.741SS**  trans-61.3127.8170.3-80.5-174.1168.2-170.40108.3K436 E442K436-K438 PolarHBondContact O-N 2.62Å; K438-E442 VanDerWaalsContact CD-OE2 3.26Å; K438-E442 WeakPolarHBondContact CD-OE2 3.47Å; K438-E442 WeakPolarHBondContact CE-OE2 3.34Å; K438-E442 WeakPolarHBondContact CG-OE2 3.41Å; K438-E442 IonicContact NZ-OE2 3.47Å
439S33Very low34.7Very low65 Ų65148.9 Ų148.946%0.45574%0.741SS.*  trans-72.1150.8179.153.40000111R437 S441 E442R437-S439 PolarHBondContact O-N 3.02Å; S439-S441 PolarHBondContact O-N 3.41Å; S439-S441 PolarHBondContact OG-OG 3.45Å; S439-E442 PolarHBondContact O-N 3.09Å
440P36.6Very low34.5Very low122 Ų122148.4 Ų148.479%0.79274%0.744SS**THydrogen-bonded Turntrans-58.9-10.8-175.5-24.133.7000116.2
441S42.7Very low34.5Very low82 Ų82144 Ų14457%0.57374%0.737SS**THydrogen-bonded Turntrans-81.9-7.9-179.257.80000115.3S439S439-S441 PolarHBondContact O-N 3.41Å; S439-S441 PolarHBondContact OG-OG 3.45Å
442E41.2Very low34.5Very low107 Ų107151.1 Ų151.150%0.576%0.762SS.*SBendtrans-84.7-22.5173.6-76.7-175.6167.200112.5K438 S439 S444K438-E442 VanDerWaalsContact CD-OE2 3.26Å; K438-E442 WeakPolarHBondContact CD-OE2 3.47Å; K438-E442 WeakPolarHBondContact CE-OE2 3.34Å; K438-E442 WeakPolarHBondContact CG-OE2 3.41Å; K438-E442 IonicContact NZ-OE2 3.47Å; S439-E442 PolarHBondContact O-N 3.09Å; E442-S444 VanDerWaalsContact C-N 3.34Å; E442-S444 PolarHBondContact O-N 3.15Å
443Y37.2Very low34.3Very low192 Ų192147.3 Ų147.375%0.75376%0.756SS**THydrogen-bonded Turntrans-75.9-19.8-178.9-131.9-89.1000113.3
444S40.8Very low34Very low98 Ų98145.1 Ų145.169%0.68576%0.757SS**THydrogen-bonded Turntrans-85.9-4.7-178.592.40000114.1E442E442-S444 VanDerWaalsContact C-N 3.34Å; E442-S444 PolarHBondContact O-N 3.15Å
445K39.6Very low33.8Very low187 Ų187141.4 Ų141.481%0.81375%0.749SS**SBendtrans-93.4-17.5179.1-103-177175.8-178.80113.8
446E36.8Very low33.3Very low169 Ų169141.4 Ų141.479%0.7975%0.749SS**SBendtrans-93.3-8.3179.9-78.2-179.2163.300113.9G448E446-G448 VanDerWaalsContact C-N 3.26Å; E446-G448 PolarHBondContact O-N 3.09Å
447M36.1Very low32.9Very low172 Ų172138.1 Ų138.185%0.84775%0.745SS**SBendtrans-84.39.8-179.1-142.289.7-177.100114.2
448G36.1Very low32.5Very low74 Ų74135.1 Ų135.176%0.76374%0.744SS**  trans-12323.1-164.800000116.8E446E446-G448 VanDerWaalsContact C-N 3.26Å; E446-G448 PolarHBondContact O-N 3.09Å
449A31.9Very low32.1Very low95 Ų95131.4 Ų131.479%0.78574%0.739SS**  trans-133.7117.117400000111.2
450T28.8Very low31.7Very low142 Ų142134.6 Ų134.687%0.87175%0.751SS**  trans-74159.4176.236.60000112.7
451P36.7Very low31.1Very low115 Ų115133.4 Ų133.475%0.74775%0.745SS**  trans-101.4152.3-160.637.4-29.6000113.7
452E27.2Very low30.2Very low191 Ų191137.3 Ų137.389%0.89376%0.759SS**  trans-129.5107.8153.8-77.9-166.2172.500110.2
453D25.3Very low29.4Very low130 Ų130142 Ų14270%0.69578%0.778SS**  trans29.4118.9140.7-62.3-27.4000120.5
454T24.3Very low28.8Very low154 Ų154144.3 Ų144.395%0.94579%0.785SS**  -148.4133.4106.4-22.60000111.5
455H24Very low27.9Very low140 Ų140145.4 Ų145.465%0.64879%0.793SS**  trans-87.5153.6-163.7-121.3-119.1000113.2
456L24.5Very low27.2Very low133 Ų133139.6 Ų139.670%0.69679%0.786SS**  trans72.1140.5143.3-67.9159.7000118.9
457T23Very low26.7Very low126 Ų126138.6 Ų138.677%0.77379%0.792SS**  cis-154.7137.430.6-30.10000113
458M23.4Very low26.5Very low174 Ų174135.8 Ų135.886%0.85779%0.786SS**  trans-44.6167.9151.8-80.7170135.800113.1
459S25.1Very low26Very low92 Ų92141 Ų14164%0.64379%0.793SS**  cis-164.616617.942.10000105.5
460D24.1Very low25.6Very low132 Ų132144.4 Ų144.471%0.70680%0.797SS**  -173.5121.260-101.2-52.1000107.3
461S23.5Very low25.3Very low96 Ų96144.7 Ų144.767%0.67179%0.793SS**  73.8101.686.880.30000115.8
462L25.2Very low24.8Very low164 Ų164144 Ų14486%0.85979%0.79SS**  69.8111.8129.9-14983.9000120.3
463K24.3Very low24.8Very low207 Ų207140.2 Ų140.290%0.978%0.78SS**  -167.6104.5125.7-105.6166.9-172.2178.80114.8
464R24Very low24.9Very low239 Ų239141.2 Ų141.290%0.90279%0.785SS**  trans1.7131.9138.7-149.8-179.7-160.1173.63.6119.6
465S22.9Very low24.9Very low122 Ų122136.2 Ų136.285%0.85377%0.765SS**  142.2133.3121.4-166.70000112.8
466G23.6Very low25.2Very low65 Ų65135.1 Ų135.167%0.6777%0.77SS**  trans-95.9172.2-159.800000118.6
467T25.8Very low25.3Very low148 Ų148137.9 Ų137.991%0.90878%0.779SS**  trans-176.6165.81429.60000108
468P32.4Very low25.5Very low112 Ų112141.4 Ų141.473%0.72778%0.784SS**  trans-106.5172.8-142.238.9-27.4000114.4
469M25.3Very low25.6Very low184 Ų184136.8 Ų136.891%0.90678%0.781SS**  trans63.1108.8153.6-162.7168.2115.200116.7
470L23.8Very low25.5Very low166 Ų166137.2 Ų137.287%0.86979%0.79SS**  trans-137.5121.2161.2-132.8152.8000110.3S472L470-S472 PolarHBondContact O-N 2.87Å; L470-S472 VanDerWaalsContact O-N 3.13Å
471L24Very low25.6Very low149 Ų149137.7 Ų137.778%0.7880%0.798SS**  trans-62.1102.4170.9-153.4144.7000106.7V473L471-V473 HydrophobicContact CD2-CG2 3.95Å; L471-V473 PolarHBondContact O-N 3.15Å
472S24.6Very low25.8Very low99 Ų99138.4 Ų138.469%0.69280%0.801SS**  trans-79.9107.3179.1169.60000108.6L470L470-S472 PolarHBondContact O-N 2.87Å; L470-S472 VanDerWaalsContact O-N 3.13Å
473V27Very low25.7Very low112 Ų112135.4 Ų135.468%0.67979%0.793SS**  trans-90.5107.8166.2175.50000106.1L471 G475L471-V473 HydrophobicContact CD2-CG2 3.95Å; L471-V473 PolarHBondContact O-N 3.15Å; V473-G475 PolarHBondContact O-N 3.14Å
474D27.7Very low25.7Very low151 Ų151132.7 Ų132.781%0.80779%0.794SS**  trans-74.1109.6169.5-77.2-31.5000108.3
475G25.7Very low25.6Very low50 Ų50128.6 Ų128.652%0.51579%0.79SS.*  trans-79.8152.9169.600000111.2V473 H477V473-G475 PolarHBondContact O-N 3.14Å; G475-H477 PolarHBondContact O-N 3.35Å
476P30.3Very low25.7Very low116 Ų116128 Ų12875%0.75379%0.786SS**  trans-70.4130.4-177.926.2-30.9000111.8F478P476-F478 PolarHBondContact O-N 3.49Å
477H25.3Very low25.7Very low192 Ų192130.2 Ų130.289%0.88979%0.787SS**  trans-60.6115.2173-71.5-76.7000111.2G475G475-H477 PolarHBondContact O-N 3.35Å
478F27.2Very low25.6Very low199 Ų199130.6 Ų130.687%0.87378%0.782SS**PPolyproline II helixtrans-92.6124.6161.5-91.5-86.3000109.5P476P476-F478 PolarHBondContact O-N 3.49Å
479G26.1Very low25.2Very low78 Ų78130.4 Ų130.480%0.80478%0.783SS**PPolyproline II helixtrans-62.4132.8179.300000112.3
480A23.7Very low25.1Very low101 Ų101129.2 Ų129.284%0.83578%0.777SS**PPolyproline II helixtrans-86.4139.6172.200000110.7
481T24.5Very low25.1Very low142 Ų142129.3 Ų129.387%0.87178%0.778SS**  trans-142.1152.3155.113.90000108.7
482P27.6Very low25.1Very low111 Ų111127.8 Ų127.872%0.72178%0.775SS**  trans-108.2152.4-13537.1-30.6000116.5
483S23.5Very low25.1Very low101 Ų101130.9 Ų130.971%0.70678%0.779SS**  trans28.3129.9149.264.40000121.8
484T24Very low24.9Very low149 Ų149133 Ų13391%0.91478%0.781SS**  trans-144.5134.7137-21.10000110.5
485N23.4Very low24.7Very low153 Ų153132 Ų13282%0.81878%0.781SS**  trans-72144.6-171.2-67.2-34.5000114.4
486S24.5Very low24.6Very low109 Ų109138.2 Ų138.276%0.76280%0.796SS**  177.8106.7127.455.70000110
487T24.3Very low24.5Very low113 Ų113138.1 Ų138.169%0.69380%0.796SS**  82.9103.887.2-50.80000114.1
488I23.3Very low24.5Very low156 Ų156133.1 Ų133.180%0.878%0.782SS**  trans63.9140.3134.8-55.8175.3000117
489S23.6Very low24.4Very low107 Ų107130.7 Ų130.775%0.74878%0.777SS**  cis-158.3160.611.836.60000109.5
490M22.6Very low24.3Very low159 Ų159132.6 Ų132.678%0.78377%0.773SS**  trans-58.9148.9160.1-64.9169.470.500111.8
491D23.5Very low24.4Very low168 Ų168134 Ų13490%0.89877%0.765SS**  -162.2143.8126.8-98.3-24.8000111.9
492T24.3Very low24.4Very low117 Ų117133.1 Ų133.172%0.71876%0.755SS**  trans-116.9133.7-174.4-48.80000107.7
493Q24.1Very low24.4Very low165 Ų165134.5 Ų134.577%0.77176%0.756SS**  trans-174.1116.4149.3-111.6170.5-2100109.7
494E23.3Very low24.5Very low155 Ų155133.3 Ų133.372%0.72475%0.753SS**  69.6121.4105.1-75.7-166.817800113
495T24.6Very low24.6Very low132 Ų132134.8 Ų134.881%0.8175%0.749SS**  -179.3145.362.212.70000110.1
496H22.1Very low24.8Very low180 Ų180135.5 Ų135.583%0.83375%0.748SS**  trans-81.8159.8159.9-92.6-77.8000110.4
497P29.9Very low24.9Very low114 Ų114137.9 Ų137.974%0.7475%0.752SS**  -141.3-177.291.614.310.3000111.8
498S23.7Very low25.1Very low87 Ų87140.9 Ų140.961%0.60876%0.758SS**  cis172.3122.7-39.958.10000107.6
499I25.3Very low25.9Very low147 Ų147138.7 Ų138.775%0.75475%0.754SS**  trans72131.6144.5-43.8164.2000116.7I501I499-I501 HydrophobicContact CG2-CD1 4.48Å
500V24.4Very low26.1Very low119 Ų119139.3 Ų139.372%0.72175%0.753SS**  177120.581.6170.70000106.6
501I26.5Very low26.3Very low131 Ų131137.5 Ų137.567%0.67275%0.75SS**  61.5129.692.1-53.8165.7000111.9I499I499-I501 HydrophobicContact CG2-CD1 4.48Å
502D24.6Very low26.4Very low123 Ų123135.2 Ų135.266%0.65875%0.747SS**  cis-172.3162.338.8-129.1-13.9000112.8
503N25.8Very low26.6Very low139 Ų139138.3 Ų138.374%0.74375%0.751SS**  trans53.2158.5142.6-63.3-27.7000122.3
504A25.9Very low26.7Very low77 Ų77138.4 Ų138.464%0.63676%0.757SS**  cis-179.5169.6-20.900000106.3
505E26.9Very low27.1Very low179 Ų179135.8 Ų135.884%0.83675%0.752SS**  trans80.1110162.9-64.6177.1176.500118.2
506Q27.1Very low27.3Very low169 Ų169139.8 Ų139.879%0.7975%0.752SS**  75.9114.385-94.5-175-15.400114.2
507D27.4Very low27.8Very low158 Ų158141.9 Ų141.985%0.84575%0.752SS**  170118.9124.8-88.9-17000112.8
508E28.4Very low28.2Very low177 Ų177144.1 Ų144.183%0.82776%0.757SS**  trans-77.8166145.3-103.6-161.9-171.800108.2
509P39.3Very low28.6Very low109 Ų109145 Ų14571%0.70876%0.763SS**  cis-152.2-169.239.730-2.4000117
510V27.4Very low30Very low120 Ų120147.4 Ų147.473%0.72779%0.789SS**  trans118.797.5143.2-168.70000118.6
511V27.5Very low30.3Very low121 Ų121148.9 Ų148.973%0.73379%0.792SS**  20.8128.4126.2-172.60000120.9
512S25.3Very low30.5Very low120 Ų120149.8 Ų149.884%0.83980%0.798SS**  -161.4141128.851.10000113.2
513F28.1Very low30.8Very low182 Ų182151.3 Ų151.380%0.79881%0.806SS**  trans-79.5152.6179-92.2-104.5000112.2V515F513-V515 HydrophobicContact CD1-CG2 4.31Å
514D26.4Very low31.1Very low167 Ų167152 Ų15289%0.89381%0.81SS**  trans-155.1150.4131.5-131-21.5000114.3
515V33.2Very low31.4Very low101 Ų101156.7 Ų156.761%0.61282%0.821SS**  trans-116.5158.8-163-1780000111F513F513-V515 HydrophobicContact CD1-CG2 4.31Å
516R29.1Very low31.7Very low215 Ų215155.2 Ų155.281%0.81182%0.82SS**  trans99.2136.5160.9-56.4-175.5-178.6178.20.1114
517R31.1Very low32Very low225 Ų225154.2 Ų154.285%0.84982%0.822SS**  cis-168145.531.4-138.1170.7-167.8177.61.8110
518L38Very low32.4Very low161 Ų161153.9 Ų153.984%0.84382%0.82SS**  trans-61.5159.9158.5-66.8118.2000109.7
519S33.8Very low32.7Very low104 Ų104152 Ų15273%0.72782%0.819SS**  cis-170.7-162.939.3-29.20000106.4
520P53.8Low32.1Very low199 Ų199155.9 Ų155.9100%1.29283%0.83SS**  cis-95.8011.9-0.223000115.1

Retrieved 520 of 520 residues in 324.2 ms (Link to these results)

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