A0A3Q0KJL9_SCHMA Loading...

Tetraspanin, putative

AlphaFold DB , UniProt , Accession A0A3Q0KJL9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 225 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
1M36.6Very low69.4Low222 Ų222125.6 Ų125.6100%1.09459%0.592SS**  097.50-169.6174.2-176.500108.4L3M1-L3 HydrophobicContact CE-CD1 4.44Å; M1-L3 PolarHBondContact O-N 3.09Å; M1-L3 VanDerWaalsContact O-N 3.09Å
2K46.9Very low71.2Confident205 Ų205125.8 Ų125.889%0.89158%0.584SS**  trans-72.2102.4171.1-78.2-176.5179.2177.80106.1K4K2-K4 PolarHBondContact O-N 2.79Å
3L48.2Very low72.9Confident118 Ų118119.2 Ų119.262%0.61856%0.558SS**  trans-60.694.4171-136.283.7000106.4M1 L5M1-L3 HydrophobicContact CE-CD1 4.44Å; M1-L3 PolarHBondContact O-N 3.09Å; M1-L3 VanDerWaalsContact O-N 3.09Å; L3-L5 HydrophobicContact CB-CD1 4.29Å; L3-L5 HydrophobicContact CD2-CD1 3.87Å; L3-L5 HydrophobicContact CD2-CD2 4.24Å; L3-L5 HydrophobicContact CD2-CG 3.9Å; L3-L5 HydrophobicContact CG-CG 4.45Å; L3-L5 PolarHBondContact O-N 3.33Å
4K55.7Low74.3Confident200 Ų200110.6 Ų110.687%0.8752%0.518SS*.  trans-71.875.3169.4-86.4-172.3175.8-179.50106.4K2 T6K2-K4 PolarHBondContact O-N 2.79Å; K4-T6 PolarHBondContact O-N 3.06Å
5L70.7Confident75.6Confident63 Ų63106.7 Ų106.733%0.3350%0.501SS..  trans-55.7122.2170.3-80.8138000107.8L3 F9 W10L3-L5 HydrophobicContact CB-CD1 4.29Å; L3-L5 HydrophobicContact CD2-CD1 3.87Å; L3-L5 HydrophobicContact CD2-CD2 4.24Å; L3-L5 HydrophobicContact CD2-CG 3.9Å; L3-L5 HydrophobicContact CG-CG 4.45Å; L3-L5 PolarHBondContact O-N 3.33Å; L5-F9 HydrophobicContact CB-CD1 4.23Å; L5-F9 HydrophobicContact CD2-CB 4.26Å; L5-F9 HydrophobicContact CD2-CD1 3.29Å; L5-F9 HydrophobicContact CD2-CD2 3.86Å; L5-F9 HydrophobicContact CD2-CE1 3.43Å; L5-F9 VanDerWaalsContact CD2-CE1 3.43Å; L5-F9 HydrophobicContact CD2-CE2 3.98Å; L5-F9 HydrophobicContact CD2-CG 3.51Å; L5-F9 HydrophobicContact CD2-CZ 3.77Å; L5-F9 HydrophobicContact CG-CD1 4.31Å; L5-W10 HydrophobicContact CD1-CZ2 4.36Å
6T79.7Confident76.8Confident87 Ų87106.3 Ų106.353%0.53451%0.507SS..  trans-62.8153.3-174.756.10000110.3K4 Q8 F9 W10K4-T6 PolarHBondContact O-N 3.06Å; T6-Q8 PolarHBondContact O-N 3.19Å; T6-F9 WeakPolarHBondContact O-CB 3.13Å; T6-F9 PolarHBondContact O-N 2.8Å; T6-F9 PolarHBondContact OG1-N 3.09Å; T6-W10 PolarHBondContact O-N 3.2Å
7Q78.5Confident78Confident140 Ų140101.7 Ų101.765%0.65449%0.486SS*.Hα-helixtrans-55.2-33.9173.1-178.9176.3-4.700111.6W10 F11Q7-W10 PolarHBondContact O-N 3.48Å; Q7-F11 PolarHBondContact O-N 3.33Å; Q7-F11 VanDerWaalsContact O-N 3.11Å
8Q84.9Confident79Confident116 Ų11696.1 Ų96.154%0.54246%0.459SS..Hα-helixtrans-63.6-37.9176.2-173174.96.200112.9T6 F11 Y12T6-Q8 PolarHBondContact O-N 3.19Å; Q8-F11 WeakPolarHBondContact O-CB 3.43Å; Q8-F11 PolarHBondContact O-N 3.27Å; Q8-Y12 HydrophobicContact CG-CD2 3.97Å; Q8-Y12 HydrophobicContact CG-CE2 3.36Å; Q8-Y12 PolarHBondContact NE2-OH 3.36Å; Q8-Y12 VanDerWaalsContact NE2-OH 3.09Å; Q8-Y12 WeakPolarHBondContact O-CD2 3.43Å; Q8-Y12 PolarHBondContact O-N 3.16Å; Q8-Y12 VanDerWaalsContact O-N 3.12Å
9F88Confident80Confident90 Ų9094.1 Ų94.140%0.39546%0.456SS..Hα-helixtrans-60.1-51.2174.7174.6-90.3000111.7L5 T6 F11 Y12 V13L5-F9 HydrophobicContact CB-CD1 4.23Å; L5-F9 HydrophobicContact CD2-CB 4.26Å; L5-F9 HydrophobicContact CD2-CD1 3.29Å; L5-F9 HydrophobicContact CD2-CD2 3.86Å; L5-F9 HydrophobicContact CD2-CE1 3.43Å; L5-F9 VanDerWaalsContact CD2-CE1 3.43Å; L5-F9 HydrophobicContact CD2-CE2 3.98Å; L5-F9 HydrophobicContact CD2-CG 3.51Å; L5-F9 HydrophobicContact CD2-CZ 3.77Å; L5-F9 HydrophobicContact CG-CD1 4.31Å; T6-F9 WeakPolarHBondContact O-CB 3.13Å; T6-F9 PolarHBondContact O-N 2.8Å; T6-F9 PolarHBondContact OG1-N 3.09Å; F9-F11 PolarHBondContact O-N 3.36Å; F9-Y12 PolarHBondContact O-N 3.12Å; F9-Y12 VanDerWaalsContact O-N 3.16Å; F9-V13 HydrophobicContact CD1-CG2 4.01Å; F9-V13 HydrophobicContact CE1-CG2 3.51Å; F9-V13 HydrophobicContact CE2-CG2 4.2Å; F9-V13 HydrophobicContact CZ-CG2 3.62Å; F9-V13 WeakPolarHBondContact O-CG2 3.44Å; F9-V13 PolarHBondContact O-N 3.11Å
10W86.4Confident80.8Confident57 Ų5793.2 Ų93.222%0.21645%0.45CS..Hα-helixtrans-64.8-28.2-179.4-70102.5000113.2L5 T6 Q7 F14 V208 L211 N212L5-W10 HydrophobicContact CD1-CZ2 4.36Å; T6-W10 PolarHBondContact O-N 3.2Å; Q7-W10 PolarHBondContact O-N 3.48Å; W10-F14 PolarHBondContact O-N 3.28Å; W10-F14 VanDerWaalsContact O-N 3.11Å; W10-V208 HydrophobicContact CE3-CG1 4.16Å; W10-V208 HydrophobicContact CE3-CG2 4.28Å; W10-V208 HydrophobicContact CZ3-CG2 3.92Å; W10-L211 HydrophobicContact CH2-CD1 4.43Å; W10-N212 WeakPolarHBondContact CB-OD1 3.37Å; W10-N212 PolarHBondContact O-ND2 3.02Å; W10-N212 VanDerWaalsContact O-ND2 3.16Å
11F87.5Confident81.6Confident84 Ų8488.8 Ų88.837%0.36843%0.429SS..Hα-helixtrans-65.7-47.7172.4177.9-102.5000111.9Q7 Q8 F9 F14 I15 I75Q7-F11 PolarHBondContact O-N 3.33Å; Q7-F11 VanDerWaalsContact O-N 3.11Å; Q8-F11 WeakPolarHBondContact O-CB 3.43Å; Q8-F11 PolarHBondContact O-N 3.27Å; F9-F11 PolarHBondContact O-N 3.36Å; F11-F14 PolarHBondContact O-N 3.42Å; F11-I15 HydrophobicContact CD1-CD1 3.9Å; F11-I15 HydrophobicContact CE1-CD1 3.37Å; F11-I15 HydrophobicContact CE1-CG1 4.5Å; F11-I15 HydrophobicContact CE2-CD1 4.34Å; F11-I15 HydrophobicContact CZ-CD1 3.63Å; F11-I15 PolarHBondContact O-N 2.98Å; F11-I15 VanDerWaalsContact O-N 3.12Å; F11-I75 HydrophobicContact CD2-CD1 4.3Å; F11-I75 HydrophobicContact CE2-CB 4.45Å; F11-I75 HydrophobicContact CE2-CD1 3.88Å; F11-I75 HydrophobicContact CE2-CG1 4.15Å; F11-I75 HydrophobicContact CE2-CG2 3.52Å; F11-I75 HydrophobicContact CZ-CG2 3.86Å
12Y91.3Very high84.5Confident128 Ų12878.8 Ų78.850%0.50238%0.383SS..Hα-helixtrans-66-40.3176.9-68.3-55.4000112.6Q8 F9 F14 I15 V16Q8-Y12 HydrophobicContact CG-CD2 3.97Å; Q8-Y12 HydrophobicContact CG-CE2 3.36Å; Q8-Y12 PolarHBondContact NE2-OH 3.36Å; Q8-Y12 VanDerWaalsContact NE2-OH 3.09Å; Q8-Y12 WeakPolarHBondContact O-CD2 3.43Å; Q8-Y12 PolarHBondContact O-N 3.16Å; Q8-Y12 VanDerWaalsContact O-N 3.12Å; F9-Y12 PolarHBondContact O-N 3.12Å; F9-Y12 VanDerWaalsContact O-N 3.16Å; Y12-F14 VanDerWaalsContact C-N 3.29Å; Y12-F14 PolarHBondContact O-N 3Å; Y12-I15 PolarHBondContact O-N 3.49Å; Y12-I15 VanDerWaalsContact O-N 3.17Å; Y12-V16 WeakPolarHBondContact O-CG2 3.31Å; Y12-V16 PolarHBondContact O-N 3.09Å
13V92.8Very high87Confident39 Ų3973.1 Ų73.124%0.23637%0.365CS..Hα-helixtrans-58.1-43.9175172.40000111F9 I15 V16 L17 V208F9-V13 HydrophobicContact CD1-CG2 4.01Å; F9-V13 HydrophobicContact CE1-CG2 3.51Å; F9-V13 HydrophobicContact CE2-CG2 4.2Å; F9-V13 HydrophobicContact CZ-CG2 3.62Å; F9-V13 WeakPolarHBondContact O-CG2 3.44Å; F9-V13 PolarHBondContact O-N 3.11Å; V13-I15 PolarHBondContact O-N 3.41Å; V13-V16 PolarHBondContact O-N 3.39Å; V13-L17 HydrophobicContact CG1-CD1 3.81Å; V13-L17 HydrophobicContact CG1-CG 4.34Å; V13-L17 WeakPolarHBondContact O-CB 3.41Å; V13-L17 WeakPolarHBondContact O-CG 3.21Å; V13-L17 PolarHBondContact O-N 3.3Å; V13-V208 HydrophobicContact CG1-CG1 4.22Å; V13-V208 HydrophobicContact CG1-CG2 4.23Å
14F93Very high89.3Confident0 Ų068.3 Ų68.30%034%0.341CS..Hα-helixtrans-60.6-45.1175.9-179.5-75.8000111.9W10 F11 Y12 V16 L17 N18 I75 Y83 H86 F205 V208 S209W10-F14 PolarHBondContact O-N 3.28Å; W10-F14 VanDerWaalsContact O-N 3.11Å; F11-F14 PolarHBondContact O-N 3.42Å; Y12-F14 VanDerWaalsContact C-N 3.29Å; Y12-F14 PolarHBondContact O-N 3Å; F14-V16 VanDerWaalsContact C-N 3.33Å; F14-V16 PolarHBondContact O-N 2.97Å; F14-L17 PolarHBondContact O-N 3.45Å; F14-N18 HydrophobicContact CD1-CB 4.36Å; F14-N18 HydrophobicContact CE1-CB 4.11Å; F14-N18 VanDerWaalsContact O-CB 3.31Å; F14-N18 WeakPolarHBondContact O-CB 3.05Å; F14-N18 PolarHBondContact O-N 3.34Å; F14-I75 HydrophobicContact CD1-CD1 3.16Å; F14-I75 HydrophobicContact CD1-CG1 4.17Å; F14-I75 HydrophobicContact CE1-CD1 3.34Å; F14-I75 HydrophobicContact CE1-CG1 3.98Å; F14-I75 HydrophobicContact CG-CD1 4.13Å; F14-I75 HydrophobicContact CZ-CD1 4.42Å; F14-Y83 HydrophobicContact CD2-CE2 4.38Å; F14-Y83 VanDerWaalsContact CD2-OH 3.23Å; F14-Y83 WeakPolarHBondContact CD2-OH 3.32Å; F14-Y83 AromaticContact CE2-CE2 3.71Å; F14-Y83 HydrophobicContact CE2-CE2 3.71Å; F14-Y83 AromaticContact CE2-CZ 3.63Å; F14-Y83 WeakPolarHBondContact CE2-OH 3.39Å; F14-Y83 AromaticContact CZ-CE2 3.91Å; F14-Y83 HydrophobicContact CZ-CE2 3.91Å; F14-H86 AromaticContact CE2-NE2 3.68Å; F14-H86 AromaticContact CZ-CD2 3.96Å; F14-H86 AromaticContact CZ-NE2 3.63Å; F14-F205 AromaticContact CD2-CE2 3.55Å; F14-F205 HydrophobicContact CD2-CE2 3.55Å; F14-F205 HydrophobicContact CD2-CZ 4.24Å; F14-F205 AromaticContact CE2-CE2 3.71Å; F14-F205 HydrophobicContact CE2-CE2 3.71Å; F14-F205 HydrophobicContact CE2-CZ 4.02Å; F14-F205 HydrophobicContact CG-CE2 4.05Å; F14-F205 HydrophobicContact CZ-CE2 4.34Å; F14-F205 HydrophobicContact CZ-CZ 4.23Å; F14-V208 HydrophobicContact CB-CG1 4.32Å; F14-S209 VanDerWaalsContact CE2-OG 3.26Å; F14-S209 WeakPolarHBondContact CE2-OG 3.41Å
15I93.5Very high91.4Very high51 Ų5158.8 Ų58.826%0.26230%0.299SS..Hα-helixtrans-59.4-46.7179.1-69.5171000110.5F11 Y12 V13 N18 C19 I75F11-I15 HydrophobicContact CD1-CD1 3.9Å; F11-I15 HydrophobicContact CE1-CD1 3.37Å; F11-I15 HydrophobicContact CE1-CG1 4.5Å; F11-I15 HydrophobicContact CE2-CD1 4.34Å; F11-I15 HydrophobicContact CZ-CD1 3.63Å; F11-I15 PolarHBondContact O-N 2.98Å; F11-I15 VanDerWaalsContact O-N 3.12Å; Y12-I15 PolarHBondContact O-N 3.49Å; Y12-I15 VanDerWaalsContact O-N 3.17Å; V13-I15 PolarHBondContact O-N 3.41Å; I15-N18 PolarHBondContact O-N 3.43Å; I15-C19 PolarHBondContact O-N 3.39Å; I15-C19 PolarHBondContact O-SG 3.48Å; I15-I75 HydrophobicContact CG1-CD1 4.09Å
16V95.8Very high92.7Very high100 Ų10061.4 Ų61.461%0.60631%0.308SS*.Hα-helixtrans-61.5-46.3179.3173.40000111.2Y12 V13 F14 N18 C19 F20Y12-V16 WeakPolarHBondContact O-CG2 3.31Å; Y12-V16 PolarHBondContact O-N 3.09Å; V13-V16 PolarHBondContact O-N 3.39Å; F14-V16 VanDerWaalsContact C-N 3.33Å; F14-V16 PolarHBondContact O-N 2.97Å; V16-N18 PolarHBondContact O-N 3.37Å; V16-C19 PolarHBondContact O-N 3.33Å; V16-F20 WeakPolarHBondContact O-CB 3.42Å; V16-F20 PolarHBondContact O-N 2.85Å
17L96.3Very high93.6Very high29 Ų2960.7 Ų60.715%0.15230%0.3CS..Hα-helixtrans-66.1-36.5178.3-69.5173.8000112.7V13 F14 F20 L21 I201 F205 V208V13-L17 HydrophobicContact CG1-CD1 3.81Å; V13-L17 HydrophobicContact CG1-CG 4.34Å; V13-L17 WeakPolarHBondContact O-CB 3.41Å; V13-L17 WeakPolarHBondContact O-CG 3.21Å; V13-L17 PolarHBondContact O-N 3.3Å; F14-L17 PolarHBondContact O-N 3.45Å; L17-F20 WeakPolarHBondContact O-CB 3.48Å; L17-F20 PolarHBondContact O-N 3.34Å; L17-L21 WeakPolarHBondContact O-CB 3.38Å; L17-L21 PolarHBondContact O-N 3.33Å; L17-I201 HydrophobicContact CD2-CG2 4.13Å; L17-F205 HydrophobicContact CB-CB 4.43Å; L17-F205 HydrophobicContact CB-CD1 4.06Å; L17-F205 HydrophobicContact CB-CD2 3.51Å; L17-F205 HydrophobicContact CB-CE1 4.18Å; L17-F205 HydrophobicContact CB-CE2 3.65Å; L17-F205 HydrophobicContact CB-CG 3.74Å; L17-F205 HydrophobicContact CB-CZ 4.01Å; L17-F205 HydrophobicContact CD1-CB 4.02Å; L17-F205 HydrophobicContact CD1-CD2 3.6Å; L17-F205 HydrophobicContact CD1-CE2 4.37Å; L17-F205 HydrophobicContact CD1-CG 4.01Å; L17-F205 HydrophobicContact CG-CD2 4.2Å; L17-F205 HydrophobicContact CG-CG 4.43Å; L17-V208 HydrophobicContact CD1-CB 4.37Å; L17-V208 HydrophobicContact CD1-CG2 4.08Å
18N96.5Very high94.5Very high0 Ų054.2 Ų54.20%027%0.27CS..Hα-helixtrans-69.2-37.4176.1-162.163.7000111.9F14 I15 V16 G22 T68 F72 H86 F205F14-N18 HydrophobicContact CD1-CB 4.36Å; F14-N18 HydrophobicContact CE1-CB 4.11Å; F14-N18 VanDerWaalsContact O-CB 3.31Å; F14-N18 WeakPolarHBondContact O-CB 3.05Å; F14-N18 PolarHBondContact O-N 3.34Å; I15-N18 PolarHBondContact O-N 3.43Å; V16-N18 PolarHBondContact O-N 3.37Å; N18-G22 PolarHBondContact O-N 3.44Å; N18-T68 PolarHBondContact ND2-O 2.99Å; N18-F72 VanDerWaalsContact ND2-CD2 3.33Å; N18-F72 WeakPolarHBondContact ND2-CD2 3.38Å; N18-F72 VanDerWaalsContact ND2-CE2 3.28Å; N18-F72 WeakPolarHBondContact ND2-CE2 3.35Å; N18-F72 WeakPolarHBondContact ND2-CG 3.43Å; N18-F72 WeakPolarHBondContact ND2-CZ 3.31Å; N18-H86 PolarHBondContact OD1-CE1 2.93Å; N18-F205 HydrophobicContact CB-CE1 4.45Å; N18-F205 HydrophobicContact CB-CZ 3.86Å
19C97Very high95.1Very high59 Ų5951.2 Ų51.240%0.39926%0.256SS..Hα-helixtrans-64.5-43.1171.1-70.60000111.4I15 V16 G22 V23I15-C19 PolarHBondContact O-N 3.39Å; I15-C19 PolarHBondContact O-SG 3.48Å; V16-C19 PolarHBondContact O-N 3.33Å; C19-G22 PolarHBondContact O-N 3.17Å; C19-V23 WeakPolarHBondContact O-CG2 3.48Å; C19-V23 PolarHBondContact O-N 3.12Å
20F97.1Very high95.6Very high76 Ų7650 Ų5033%0.33326%0.255SS..Hα-helixtrans-58.7-49.5176.2177.7-96.3000111.1V16 L17 G22 V23 T24 T198 I201 Y202V16-F20 WeakPolarHBondContact O-CB 3.42Å; V16-F20 PolarHBondContact O-N 2.85Å; L17-F20 WeakPolarHBondContact O-CB 3.48Å; L17-F20 PolarHBondContact O-N 3.34Å; F20-G22 VanDerWaalsContact C-N 3.33Å; F20-G22 PolarHBondContact O-N 3.15Å; F20-V23 PolarHBondContact O-N 3.39Å; F20-T24 HydrophobicContact CD1-CG2 4.2Å; F20-T24 HydrophobicContact CD2-CG2 4.25Å; F20-T24 HydrophobicContact CE1-CG2 3.73Å; F20-T24 HydrophobicContact CE2-CG2 3.79Å; F20-T24 HydrophobicContact CG-CG2 4.45Å; F20-T24 HydrophobicContact CZ-CG2 3.5Å; F20-T24 PolarHBondContact O-N 3.39Å; F20-T24 PolarHBondContact O-OG1 3.4Å; F20-T198 HydrophobicContact CE1-CG2 4.41Å; F20-I201 HydrophobicContact CD1-CG2 3.98Å; F20-I201 HydrophobicContact CE1-CB 4.23Å; F20-I201 HydrophobicContact CE1-CD1 3.56Å; F20-I201 HydrophobicContact CE1-CG1 4.49Å; F20-I201 HydrophobicContact CE1-CG2 3.77Å; F20-I201 HydrophobicContact CE2-CD1 4.49Å; F20-I201 HydrophobicContact CZ-CD1 3.48Å; F20-I201 VanDerWaalsContact CZ-CD1 3.48Å; F20-Y202 HydrophobicContact CE1-CE1 4.49Å
21L97.6Very high96.2Very high0 Ų049 Ų490%025%0.254CS..Hα-helixtrans-49.8-52.4171.9170.867.1000111.1L17 V23 T24 S25 T67 T68 L90 Y202 F205L17-L21 WeakPolarHBondContact O-CB 3.38Å; L17-L21 PolarHBondContact O-N 3.33Å; L21-V23 VanDerWaalsContact C-N 3.34Å; L21-V23 PolarHBondContact O-N 3.16Å; L21-T24 PolarHBondContact O-N 3.11Å; L21-T24 PolarHBondContact O-OG1 3.16Å; L21-T24 VanDerWaalsContact O-OG1 3.09Å; L21-S25 VanDerWaalsContact O-CB 3.3Å; L21-S25 WeakPolarHBondContact O-CB 3.35Å; L21-S25 PolarHBondContact O-N 3Å; L21-S25 PolarHBondContact O-OG 3.41Å; L21-T67 HydrophobicContact CD2-CG2 3.76Å; L21-T68 WeakPolarHBondContact CG-OG1 3.45Å; L21-L90 HydrophobicContact CD1-CD1 4.22Å; L21-L90 HydrophobicContact CD2-CD1 4.22Å; L21-Y202 HydrophobicContact CB-CE1 4.37Å; L21-Y202 HydrophobicContact CD1-CE1 3.76Å; L21-Y202 HydrophobicContact CD1-CE2 3.77Å; L21-Y202 WeakPolarHBondContact CD1-OH 3.43Å; L21-F205 HydrophobicContact CB-CE1 4.28Å; L21-F205 HydrophobicContact CD2-CE1 4.01Å
22G98Very high96.7Very high13 Ų1345 Ų4513%0.13424%0.236CC..Hα-helixtrans-58.5-43-179.800000113.6N18 C19 F20 F26 T68N18-G22 PolarHBondContact O-N 3.44Å; C19-G22 PolarHBondContact O-N 3.17Å; F20-G22 VanDerWaalsContact C-N 3.33Å; F20-G22 PolarHBondContact O-N 3.15Å; G22-F26 WeakPolarHBondContact O-CB 3.43Å; G22-F26 PolarHBondContact O-N 3.42Å; G22-T68 VanDerWaalsContact CA-OG1 3.27Å; G22-T68 WeakPolarHBondContact CA-OG1 3.23Å; G22-T68 PolarHBondContact N-OG1 3.49Å
23V98.1Very high97Very high86 Ų8642.1 Ų42.152%0.52123%0.229SC..Hα-helixtrans-67.3-47.6178.1172.80000111.1C19 F20 L21 F26 I27C19-V23 WeakPolarHBondContact O-CG2 3.48Å; C19-V23 PolarHBondContact O-N 3.12Å; F20-V23 PolarHBondContact O-N 3.39Å; L21-V23 VanDerWaalsContact C-N 3.34Å; L21-V23 PolarHBondContact O-N 3.16Å; V23-F26 PolarHBondContact O-N 3.04Å; V23-I27 HydrophobicContact CG1-CD1 3.8Å; V23-I27 VanDerWaalsContact O-CG1 3.31Å; V23-I27 WeakPolarHBondContact O-CG1 3.5Å; V23-I27 PolarHBondContact O-N 2.97Å
24T97.4Very high97.3Very high16 Ų1646.1 Ų46.110%0.09824%0.243CC..Hα-helixtrans-66.5-39.9-179.2490000112.1F20 L21 I27 L28 T198 Y202F20-T24 HydrophobicContact CD1-CG2 4.2Å; F20-T24 HydrophobicContact CD2-CG2 4.25Å; F20-T24 HydrophobicContact CE1-CG2 3.73Å; F20-T24 HydrophobicContact CE2-CG2 3.79Å; F20-T24 HydrophobicContact CG-CG2 4.45Å; F20-T24 HydrophobicContact CZ-CG2 3.5Å; F20-T24 PolarHBondContact O-N 3.39Å; F20-T24 PolarHBondContact O-OG1 3.4Å; L21-T24 PolarHBondContact O-N 3.11Å; L21-T24 PolarHBondContact O-OG1 3.16Å; L21-T24 VanDerWaalsContact O-OG1 3.09Å; T24-I27 PolarHBondContact O-N 3.26Å; T24-L28 VanDerWaalsContact O-CB 3.32Å; T24-L28 WeakPolarHBondContact O-CB 3.29Å; T24-L28 PolarHBondContact O-N 2.99Å; T24-T198 HydrophobicContact CG2-CG2 3.91Å; T24-Y202 PolarHBondContact OG1-OH 2.91Å
25S98.3Very high97.5Very high0 Ų046.1 Ų46.10%024%0.243CC..Hα-helixtrans-66.1-37.3176-57.30000112L21 F29 G61 G64 E93L21-S25 VanDerWaalsContact O-CB 3.3Å; L21-S25 WeakPolarHBondContact O-CB 3.35Å; L21-S25 PolarHBondContact O-N 3Å; L21-S25 PolarHBondContact O-OG 3.41Å; S25-F29 VanDerWaalsContact O-CB 3.31Å; S25-F29 WeakPolarHBondContact O-CB 3.47Å; S25-F29 PolarHBondContact O-N 3.04Å; S25-G61 WeakPolarHBondContact O-CA 3.27Å; S25-G64 WeakPolarHBondContact OG-CA 3.26Å; S25-E93 PolarHBondContact OG-OE1 3.45Å
26F98.4Very high97.6Very high118 Ų11846 Ų4652%0.51824%0.242SC..Hα-helixtrans-65.2-45.7173.1-177-107.1000112.3G22 V23 L28 F29 V30 L65G22-F26 WeakPolarHBondContact O-CB 3.43Å; G22-F26 PolarHBondContact O-N 3.42Å; V23-F26 PolarHBondContact O-N 3.04Å; F26-L28 VanDerWaalsContact C-N 3.35Å; F26-L28 PolarHBondContact O-N 3.41Å; F26-F29 PolarHBondContact O-N 2.92Å; F26-V30 HydrophobicContact CD1-CG2 4.38Å; F26-V30 HydrophobicContact CD2-CG2 4.36Å; F26-V30 HydrophobicContact CE1-CG2 3.96Å; F26-V30 HydrophobicContact CE2-CG2 3.94Å; F26-V30 HydrophobicContact CZ-CG2 3.72Å; F26-V30 WeakPolarHBondContact O-CG2 3.36Å; F26-V30 PolarHBondContact O-N 3.47Å; F26-L65 HydrophobicContact CB-CD2 4.19Å
27I98.2Very high97.7Very high73 Ų7346.2 Ų46.237%0.37424%0.239SC..Hα-helixtrans-60-47.1176.7-70168.1000110.3V23 T24 F29 V30 L31 I194V23-I27 HydrophobicContact CG1-CD1 3.8Å; V23-I27 VanDerWaalsContact O-CG1 3.31Å; V23-I27 WeakPolarHBondContact O-CG1 3.5Å; V23-I27 PolarHBondContact O-N 2.97Å; T24-I27 PolarHBondContact O-N 3.26Å; I27-F29 PolarHBondContact O-N 3.45Å; I27-V30 PolarHBondContact O-N 3.33Å; I27-L31 HydrophobicContact CG2-CD1 3.64Å; I27-L31 HydrophobicContact CG2-CG 4.17Å; I27-L31 WeakPolarHBondContact O-CB 3.39Å; I27-L31 VanDerWaalsContact O-CG 3.31Å; I27-L31 WeakPolarHBondContact O-CG 3.32Å; I27-L31 PolarHBondContact O-N 2.91Å; I27-I194 HydrophobicContact CG2-CD1 4.31Å
28L98Very high97.7Very high4 Ų447 Ų472%0.02124%0.242CC..Hα-helixtrans-58.7-48.2178.5-172.667.1000110.9T24 F26 V30 L31 S32 T60 L191 I194T24-L28 VanDerWaalsContact O-CB 3.32Å; T24-L28 WeakPolarHBondContact O-CB 3.29Å; T24-L28 PolarHBondContact O-N 2.99Å; F26-L28 VanDerWaalsContact C-N 3.35Å; F26-L28 PolarHBondContact O-N 3.41Å; L28-V30 PolarHBondContact O-N 3.18Å; L28-L31 PolarHBondContact O-N 3.13Å; L28-S32 VanDerWaalsContact O-CB 3.26Å; L28-S32 WeakPolarHBondContact O-CB 3.33Å; L28-S32 PolarHBondContact O-N 3.19Å; L28-S32 PolarHBondContact O-OG 3.45Å; L28-T60 VanDerWaalsContact CD2-OG1 3.3Å; L28-T60 WeakPolarHBondContact CD2-OG1 3.32Å; L28-L191 HydrophobicContact CD1-CD2 3.69Å; L28-I194 HydrophobicContact CD1-CG2 4.25Å
29F98.4Very high97.6Very high53 Ų5347 Ų4723%0.23224%0.242CC..Hα-helixtrans-56-51.3177177-109.2000112.5S25 F26 I27 I33 I58 C62S25-F29 VanDerWaalsContact O-CB 3.31Å; S25-F29 WeakPolarHBondContact O-CB 3.47Å; S25-F29 PolarHBondContact O-N 3.04Å; F26-F29 PolarHBondContact O-N 2.92Å; I27-F29 PolarHBondContact O-N 3.45Å; F29-I33 HydrophobicContact CD1-CD1 4.18Å; F29-I33 HydrophobicContact CD2-CD1 4.06Å; F29-I33 HydrophobicContact CE1-CD1 3.61Å; F29-I33 HydrophobicContact CE2-CD1 3.46Å; F29-I33 VanDerWaalsContact CE2-CD1 3.46Å; F29-I33 HydrophobicContact CE2-CG1 4.29Å; F29-I33 HydrophobicContact CG-CD1 4.39Å; F29-I33 HydrophobicContact CZ-CD1 3.23Å; F29-I33 HydrophobicContact CZ-CG1 4.44Å; F29-I33 WeakPolarHBondContact O-CG1 3.44Å; F29-I33 PolarHBondContact O-N 3.45Å; F29-I58 HydrophobicContact CD2-CG2 4.04Å; F29-I58 HydrophobicContact CE2-CG2 3.85Å; F29-C62 VanDerWaalsContact CD2-SG 3.53Å; F29-C62 WeakPolarHBondContact CE2-SG 3.19Å
30V98.4Very high97.6Very high63 Ų6348.7 Ų48.738%0.38224%0.243SC..Hα-helixtrans-66-45.1-177.6172.30000111.6F26 I27 L28 I33 K34F26-V30 HydrophobicContact CD1-CG2 4.38Å; F26-V30 HydrophobicContact CD2-CG2 4.36Å; F26-V30 HydrophobicContact CE1-CG2 3.96Å; F26-V30 HydrophobicContact CE2-CG2 3.94Å; F26-V30 HydrophobicContact CZ-CG2 3.72Å; F26-V30 WeakPolarHBondContact O-CG2 3.36Å; F26-V30 PolarHBondContact O-N 3.47Å; I27-V30 PolarHBondContact O-N 3.33Å; L28-V30 PolarHBondContact O-N 3.18Å; V30-I33 PolarHBondContact O-N 3.29Å; V30-K34 WeakPolarHBondContact O-CB 3.44Å; V30-K34 PolarHBondContact O-N 2.97Å
31L98.4Very high97.6Very high37 Ų3748 Ų4819%0.19424%0.241CC..Hα-helixtrans-65.6-41.1180-70179.3000111.7I27 L28 K34 A35 Y187 L190 L191 I194I27-L31 HydrophobicContact CG2-CD1 3.64Å; I27-L31 HydrophobicContact CG2-CG 4.17Å; I27-L31 WeakPolarHBondContact O-CB 3.39Å; I27-L31 VanDerWaalsContact O-CG 3.31Å; I27-L31 WeakPolarHBondContact O-CG 3.32Å; I27-L31 PolarHBondContact O-N 2.91Å; L28-L31 PolarHBondContact O-N 3.13Å; L31-K34 PolarHBondContact O-N 3.2Å; L31-A35 WeakPolarHBondContact O-CB 3.28Å; L31-A35 PolarHBondContact O-N 3.19Å; L31-Y187 HydrophobicContact CD2-CE1 4.47Å; L31-L190 HydrophobicContact CD1-CD2 3.9Å; L31-L190 HydrophobicContact CD1-CG 4.36Å; L31-L191 HydrophobicContact CB-CD2 3.91Å; L31-I194 HydrophobicContact CD1-CD1 3.84Å
32S98.3Very high97.6Very high0 Ų048 Ų480%024%0.241CC..Hα-helixtrans-65.8-42.3177.1-66.80000112.5L28 A35 Q36 Y54 G57L28-S32 VanDerWaalsContact O-CB 3.26Å; L28-S32 WeakPolarHBondContact O-CB 3.33Å; L28-S32 PolarHBondContact O-N 3.19Å; L28-S32 PolarHBondContact O-OG 3.45Å; S32-A35 PolarHBondContact O-N 2.85Å; S32-Q36 VanDerWaalsContact O-CB 3.31Å; S32-Q36 WeakPolarHBondContact O-CB 3.41Å; S32-Q36 PolarHBondContact O-N 3.34Å; S32-Y54 WeakPolarHBondContact CB-O 3.5Å; S32-G57 WeakPolarHBondContact OG-CA 3.39Å
33I98.3Very high97.5Very high68 Ų6850.3 Ų50.335%0.34925%0.247SC..Hα-helixtrans-60.3-49.5173-74.3-179.8000110.4F29 V30 A35 Q36 D37 I58F29-I33 HydrophobicContact CD1-CD1 4.18Å; F29-I33 HydrophobicContact CD2-CD1 4.06Å; F29-I33 HydrophobicContact CE1-CD1 3.61Å; F29-I33 HydrophobicContact CE2-CD1 3.46Å; F29-I33 VanDerWaalsContact CE2-CD1 3.46Å; F29-I33 HydrophobicContact CE2-CG1 4.29Å; F29-I33 HydrophobicContact CG-CD1 4.39Å; F29-I33 HydrophobicContact CZ-CD1 3.23Å; F29-I33 HydrophobicContact CZ-CG1 4.44Å; F29-I33 WeakPolarHBondContact O-CG1 3.44Å; F29-I33 PolarHBondContact O-N 3.45Å; V30-I33 PolarHBondContact O-N 3.29Å; I33-A35 VanDerWaalsContact C-N 3.33Å; I33-A35 PolarHBondContact O-N 2.99Å; I33-Q36 PolarHBondContact O-N 3.11Å; I33-D37 VanDerWaalsContact O-CB 3.25Å; I33-D37 WeakPolarHBondContact O-CB 3.06Å; I33-D37 PolarHBondContact O-N 2.92Å; I33-I58 HydrophobicContact CG1-CD1 3.88Å; I33-I58 HydrophobicContact CG1-CG1 3.89Å; I33-I58 HydrophobicContact CG1-CG2 4.36Å
34K97.9Very high97.5Very high122 Ų12247.9 Ų47.953%0.5323%0.231SC..Hα-helixtrans-59.3-44.7-178.2-176.5-176.4178.4-169.20111.8V30 L31 H38 Y187V30-K34 WeakPolarHBondContact O-CB 3.44Å; V30-K34 PolarHBondContact O-N 2.97Å; L31-K34 PolarHBondContact O-N 3.2Å; K34-H38 WeakPolarHBondContact O-CB 3.23Å; K34-H38 PolarHBondContact O-N 3.36Å; K34-H38 VanDerWaalsContact O-N 3.14Å; K34-Y187 WeakPolarHBondContact CD-OH 3.38Å; K34-Y187 VanDerWaalsContact CE-OH 3.28Å; K34-Y187 WeakPolarHBondContact CE-OH 3.41Å; K34-Y187 PolarHBondContact NZ-OH 3.44Å
35A97.2Very high97.5Very high0 Ų047.1 Ų47.10%023%0.226CC..Hα-helixtrans-63.7-45.7178.500000111.5L31 S32 I33 L39 Y54 Y187L31-A35 WeakPolarHBondContact O-CB 3.28Å; L31-A35 PolarHBondContact O-N 3.19Å; S32-A35 PolarHBondContact O-N 2.85Å; I33-A35 VanDerWaalsContact C-N 3.33Å; I33-A35 PolarHBondContact O-N 2.99Å; A35-L39 PolarHBondContact O-N 3.23Å; A35-L39 VanDerWaalsContact O-N 3.17Å; A35-Y54 HydrophobicContact CB-CD1 4.03Å; A35-Y54 HydrophobicContact CB-CD2 4.17Å; A35-Y54 HydrophobicContact CB-CE1 3.78Å; A35-Y54 HydrophobicContact CB-CE2 3.9Å; A35-Y54 HydrophobicContact CB-CG 4.23Å; A35-Y187 HydrophobicContact CB-CD1 3.62Å; A35-Y187 HydrophobicContact CB-CD2 4.3Å; A35-Y187 HydrophobicContact CB-CE1 4.13Å; A35-Y187 HydrophobicContact CB-CG 3.71Å
36Q97Very high97.4Very high50 Ų5047.2 Ų47.223%0.23423%0.227CC..Hα-helixtrans-66.8-46.6-180-170.1168.8-46.900112.2S32 I33 H38 L39 F40 Y54 I58S32-Q36 VanDerWaalsContact O-CB 3.31Å; S32-Q36 WeakPolarHBondContact O-CB 3.41Å; S32-Q36 PolarHBondContact O-N 3.34Å; I33-Q36 PolarHBondContact O-N 3.11Å; Q36-H38 VanDerWaalsContact C-N 3.35Å; Q36-H38 PolarHBondContact O-N 3.04Å; Q36-L39 PolarHBondContact O-N 3.5Å; Q36-F40 WeakPolarHBondContact O-CB 3.08Å; Q36-F40 PolarHBondContact O-N 3.34Å; Q36-Y54 HydrophobicContact CB-CD2 4.37Å; Q36-I58 HydrophobicContact CB-CD1 4.46Å
37D96.8Very high97.3Very high103 Ų10346.3 Ų46.355%0.55122%0.224SC*.Hα-helixtrans-61-43.6-179.5-176.366.9000111.5I33 L39 F40 Q41I33-D37 VanDerWaalsContact O-CB 3.25Å; I33-D37 WeakPolarHBondContact O-CB 3.06Å; I33-D37 PolarHBondContact O-N 2.92Å; D37-L39 PolarHBondContact O-N 2.98Å; D37-F40 PolarHBondContact O-N 3.31Å; D37-Q41 PolarHBondContact O-N 3.14Å
38H96Very high97Very high45 Ų4549.1 Ų49.121%0.20823%0.231CC..Hα-helixtrans-63.1-43176.6-168.2-88.3000112.2K34 Q36 F40 Q41 Y42 F143 F183K34-H38 WeakPolarHBondContact O-CB 3.23Å; K34-H38 PolarHBondContact O-N 3.36Å; K34-H38 VanDerWaalsContact O-N 3.14Å; Q36-H38 VanDerWaalsContact C-N 3.35Å; Q36-H38 PolarHBondContact O-N 3.04Å; H38-F40 VanDerWaalsContact C-N 3.32Å; H38-F40 PolarHBondContact O-N 3.35Å; H38-Q41 WeakPolarHBondContact O-CB 3.5Å; H38-Q41 WeakPolarHBondContact O-CG 3.46Å; H38-Q41 PolarHBondContact O-N 2.96Å; H38-Y42 WeakPolarHBondContact O-CE2 3.12Å; H38-F143 AromaticContact CE1-CE2 3.89Å; H38-F143 AromaticContact CE1-CZ 3.65Å; H38-F183 HydrophobicContact CB-CE1 4.28Å; H38-F183 HydrophobicContact CB-CZ 3.78Å; H38-F183 AromaticContact CE1-CE2 3.9Å; H38-F183 AromaticContact CE1-CZ 3.84Å; H38-F183 AromaticContact CG-CZ 3.5Å; H38-F183 VanDerWaalsContact CG-CZ 3.5Å; H38-F183 AromaticContact ND1-CE1 3.41Å; H38-F183 WeakPolarHBondContact ND1-CE1 3.26Å; H38-F183 AromaticContact ND1-CE2 3.68Å; H38-F183 AromaticContact ND1-CZ 3.14Å; H38-F183 WeakPolarHBondContact ND1-CZ 3.4Å
39L95.8Very high96.8Very high0 Ų050 Ų500%024%0.237CC..Hα-helixtrans-68.8-32.1177.7-172.361.2000112.1A35 Q36 D37 Q41 Y42 I46 I50 Y54 F111 L180 V184A35-L39 PolarHBondContact O-N 3.23Å; A35-L39 VanDerWaalsContact O-N 3.17Å; Q36-L39 PolarHBondContact O-N 3.5Å; D37-L39 PolarHBondContact O-N 2.98Å; L39-Q41 PolarHBondContact O-N 2.89Å; L39-Q41 VanDerWaalsContact O-N 3.16Å; L39-Y42 PolarHBondContact O-N 2.9Å; L39-I46 HydrophobicContact CD1-CD1 3.55Å; L39-I46 HydrophobicContact CD2-CD1 4.29Å; L39-I46 HydrophobicContact CG-CD1 3.66Å; L39-I50 HydrophobicContact CD2-CB 4.5Å; L39-I50 HydrophobicContact CD2-CG2 4.14Å; L39-Y54 HydrophobicContact CD2-CD2 4.41Å; L39-Y54 HydrophobicContact CD2-CE2 3.98Å; L39-F111 HydrophobicContact CD2-CE2 4.02Å; L39-F111 HydrophobicContact CD2-CZ 4.19Å; L39-L180 HydrophobicContact CD1-CD1 3.97Å; L39-V184 HydrophobicContact CD1-CG2 4.09Å; L39-V184 HydrophobicContact CD2-CG2 4.43Å
40F96.3Very high96.5Very high96 Ų9650.7 Ų50.742%0.42124%0.242SC..Hα-helixtrans-66-15.9179.6-156.2-114000113.4Q36 D37 H38 Y42 K43 Y48Q36-F40 WeakPolarHBondContact O-CB 3.08Å; Q36-F40 PolarHBondContact O-N 3.34Å; D37-F40 PolarHBondContact O-N 3.31Å; H38-F40 VanDerWaalsContact C-N 3.32Å; H38-F40 PolarHBondContact O-N 3.35Å; F40-Y42 PolarHBondContact O-N 3.02Å; F40-K43 HydrophobicContact CD1-CD 3.88Å; F40-K43 HydrophobicContact CD2-CB 3.95Å; F40-K43 HydrophobicContact CD2-CD 3.92Å; F40-K43 HydrophobicContact CE1-CD 3.56Å; F40-K43 HydrophobicContact CE2-CB 4.17Å; F40-K43 HydrophobicContact CE2-CD 3.6Å; F40-K43 HydrophobicContact CG-CB 4.4Å; F40-K43 HydrophobicContact CG-CD 4.06Å; F40-K43 HydrophobicContact CZ-CD 3.41Å; F40-K43 VanDerWaalsContact CZ-CD 3.41Å; F40-K43 WeakPolarHBondContact O-CB 3.49Å; F40-K43 WeakPolarHBondContact O-CG 3.32Å; F40-K43 PolarHBondContact O-N 3.4Å; F40-Y48 HydrophobicContact CE2-CD1 4.39Å; F40-Y48 HydrophobicContact CE2-CE1 4.4Å
41Q96.3Very high96.3Very high62 Ų6247.8 Ų47.829%0.2923%0.225SC..THydrogen-bonded Turntrans-66.2-13.6171.3-56.8-170.73.500113.4D37 H38 L39 K138D37-Q41 PolarHBondContact O-N 3.14Å; H38-Q41 WeakPolarHBondContact O-CB 3.5Å; H38-Q41 WeakPolarHBondContact O-CG 3.46Å; H38-Q41 PolarHBondContact O-N 2.96Å; L39-Q41 PolarHBondContact O-N 2.89Å; L39-Q41 VanDerWaalsContact O-N 3.16Å; Q41-K138 HydrophobicContact CB-CD 4.36Å
42Y97.2Very high96.1Very high0 Ų048.5 Ų48.50%024%0.236CC..THydrogen-bonded Turntrans-123.220.2-178.5-46.1-63000111.9H38 L39 F40 L44 I45 I46 E135 K138 L139 T142 F143 L180H38-Y42 WeakPolarHBondContact O-CE2 3.12Å; L39-Y42 PolarHBondContact O-N 2.9Å; F40-Y42 PolarHBondContact O-N 3.02Å; Y42-L44 VanDerWaalsContact C-N 3.28Å; Y42-L44 PolarHBondContact O-N 3.49Å; Y42-I45 HydrophobicContact CD1-CD1 4.35Å; Y42-I45 VanDerWaalsContact O-CG1 3.3Å; Y42-I45 WeakPolarHBondContact O-CG1 3.49Å; Y42-I45 PolarHBondContact O-N 3.19Å; Y42-I46 WeakPolarHBondContact O-CG1 3.44Å; Y42-I46 PolarHBondContact O-N 2.8Å; Y42-E135 VanDerWaalsContact CA-OE2 3.29Å; Y42-E135 WeakPolarHBondContact CA-OE2 3.41Å; Y42-K138 HydrophobicContact CE1-CB 4.26Å; Y42-K138 HydrophobicContact CE1-CD 4.4Å; Y42-K138 HydrophobicContact CE1-CG 4.16Å; Y42-L139 HydrophobicContact CD1-CB 3.92Å; Y42-L139 HydrophobicContact CD1-CD1 3.84Å; Y42-L139 HydrophobicContact CD1-CG 4.45Å; Y42-L139 HydrophobicContact CD2-CD1 4.1Å; Y42-L139 HydrophobicContact CE1-CB 3.78Å; Y42-L139 HydrophobicContact CE1-CD1 3.75Å; Y42-L139 HydrophobicContact CE1-CG 4.39Å; Y42-L139 HydrophobicContact CE2-CD1 4.01Å; Y42-L139 HydrophobicContact CG-CD1 4.02Å; Y42-T142 WeakPolarHBondContact OH-CB 3.5Å; Y42-T142 WeakPolarHBondContact OH-CG2 3.39Å; Y42-T142 PolarHBondContact OH-OG1 2.88Å; Y42-F143 AromaticContact CE2-CE2 3.94Å; Y42-F143 HydrophobicContact CE2-CE2 3.94Å; Y42-L180 HydrophobicContact CD2-CD1 4.28Å
43K96.5Very high95.9Very high60 Ų6048.5 Ų48.526%0.26124%0.236SC..THydrogen-bonded Turntrans-60.9-32.9-169.469.9-170.8-178.7-178.60113.1F40 Q47 Y48 E135F40-K43 HydrophobicContact CD1-CD 3.88Å; F40-K43 HydrophobicContact CD2-CB 3.95Å; F40-K43 HydrophobicContact CD2-CD 3.92Å; F40-K43 HydrophobicContact CE1-CD 3.56Å; F40-K43 HydrophobicContact CE2-CB 4.17Å; F40-K43 HydrophobicContact CE2-CD 3.6Å; F40-K43 HydrophobicContact CG-CB 4.4Å; F40-K43 HydrophobicContact CG-CD 4.06Å; F40-K43 HydrophobicContact CZ-CD 3.41Å; F40-K43 VanDerWaalsContact CZ-CD 3.41Å; F40-K43 WeakPolarHBondContact O-CB 3.49Å; F40-K43 WeakPolarHBondContact O-CG 3.32Å; F40-K43 PolarHBondContact O-N 3.4Å; K43-Q47 CarbonylContact O-C 3.33Å; K43-Q47 WeakPolarHBondContact O-CA 3.41Å; K43-Q47 PolarHBondContact O-N 3Å; K43-Y48 HydrophobicContact CB-CD1 4.16Å; K43-Y48 HydrophobicContact CB-CE1 4.18Å; K43-Y48 HydrophobicContact CD-CD1 4.49Å; K43-Y48 HydrophobicContact CD-CE1 3.77Å; K43-Y48 HydrophobicContact CG-CD1 4.5Å; K43-Y48 HydrophobicContact CG-CE1 4.02Å; K43-Y48 PolarHBondContact O-N 2.88Å; K43-E135 PolarHBondContact N-OE2 3.14Å
44L97.4Very high95.8Very high36 Ų3645.3 Ų45.319%0.18822%0.219CC..THydrogen-bonded Turntrans-76.5-43.8-178.3-61.3174.6000110.5Y42 I46 Q47 Y48 E131 Y132 E135Y42-L44 VanDerWaalsContact C-N 3.28Å; Y42-L44 PolarHBondContact O-N 3.49Å; L44-I46 VanDerWaalsContact C-N 3.34Å; L44-I46 PolarHBondContact O-N 2.77Å; L44-Q47 PolarHBondContact O-N 3.48Å; L44-Q47 VanDerWaalsContact O-N 3.16Å; L44-Y48 HydrophobicContact CD2-CE2 3.97Å; L44-Y48 WeakPolarHBondContact CD2-OH 3.38Å; L44-E131 HydrophobicContact CD1-CB 3.73Å; L44-E131 HydrophobicContact CD1-CG 4.48Å; L44-Y132 HydrophobicContact CB-CD1 4.07Å; L44-Y132 HydrophobicContact CB-CE1 4.02Å; L44-E135 WeakPolarHBondContact CA-OE2 3.39Å; L44-E135 WeakPolarHBondContact CB-OE1 3.31Å; L44-E135 WeakPolarHBondContact CB-OE2 3.49Å; L44-E135 VanDerWaalsContact CG-OE1 3.32Å; L44-E135 WeakPolarHBondContact CG-OE1 3.43Å; L44-E135 PolarHBondContact N-OE1 3.3Å; L44-E135 PolarHBondContact N-OE2 3.3Å
45I97.8Very high95.8Very high0 Ų041.9 Ų41.90%021%0.21CC..THydrogen-bonded Turntrans-72.2-28-178.563.5173.7000112.8Y42 A118 L119 T122 Y132 E135 F136 L139Y42-I45 HydrophobicContact CD1-CD1 4.35Å; Y42-I45 VanDerWaalsContact O-CG1 3.3Å; Y42-I45 WeakPolarHBondContact O-CG1 3.49Å; Y42-I45 PolarHBondContact O-N 3.19Å; I45-A118 CarbonylContact O-C 3.56Å; I45-L119 HydrophobicContact CB-CD2 4.28Å; I45-L119 HydrophobicContact CD1-CD2 3.94Å; I45-L119 HydrophobicContact CG1-CD2 4.07Å; I45-T122 PolarHBondContact O-OG1 3.47Å; I45-Y132 HydrophobicContact CG2-CD1 4.38Å; I45-Y132 HydrophobicContact CG2-CG 4.42Å; I45-E135 HydrophobicContact CD1-CB 4.08Å; I45-E135 HydrophobicContact CG1-CB 4.15Å; I45-E135 HydrophobicContact CG2-CB 3.72Å; I45-E135 PolarHBondContact N-OE2 3.35Å; I45-F136 HydrophobicContact CB-CD2 4.25Å; I45-F136 HydrophobicContact CB-CE2 3.94Å; I45-F136 HydrophobicContact CB-CZ 4.33Å; I45-F136 HydrophobicContact CD1-CD1 4.24Å; I45-F136 HydrophobicContact CD1-CD2 4.42Å; I45-F136 HydrophobicContact CD1-CE1 4.41Å; I45-F136 HydrophobicContact CD1-CG 4.23Å; I45-F136 HydrophobicContact CG2-CD2 3.56Å; I45-F136 HydrophobicContact CG2-CE2 3.65Å; I45-F136 HydrophobicContact CG2-CG 4.33Å; I45-F136 HydrophobicContact CG2-CZ 4.48Å; I45-L139 HydrophobicContact CD1-CB 4.32Å; I45-L139 HydrophobicContact CD1-CD2 3.83Å
46I96.5Very high95.7Very high1 Ų143.5 Ų43.51%0.00522%0.22CC..THydrogen-bonded Turntrans-94.66.7171.377.8-166.9000113.3L39 Y42 L44 Y48 T49 L119 L180L39-I46 HydrophobicContact CD1-CD1 3.55Å; L39-I46 HydrophobicContact CD2-CD1 4.29Å; L39-I46 HydrophobicContact CG-CD1 3.66Å; Y42-I46 WeakPolarHBondContact O-CG1 3.44Å; Y42-I46 PolarHBondContact O-N 2.8Å; L44-I46 VanDerWaalsContact C-N 3.34Å; L44-I46 PolarHBondContact O-N 2.77Å; I46-Y48 VanDerWaalsContact C-N 3.34Å; I46-Y48 PolarHBondContact O-N 3.34Å; I46-T49 WeakPolarHBondContact CD1-O 3.48Å; I46-T49 VanDerWaalsContact O-CB 3.24Å; I46-T49 WeakPolarHBondContact O-CB 3.29Å; I46-T49 PolarHBondContact O-N 2.9Å; I46-T49 VanDerWaalsContact O-N 3.09Å; I46-T49 PolarHBondContact O-OG1 3.07Å; I46-L119 HydrophobicContact CG2-CD2 4.25Å; I46-L119 HydrophobicContact CG2-CG 4.46Å; I46-L180 HydrophobicContact CG2-CD2 4.02Å
47Q95.9Very high95.7Very high99 Ų9941.1 Ų41.146%0.46321%0.208SC..THydrogen-bonded Turntrans53.244.2176.8-61.5179.6-1100114.5K43 L44 T49 A118 T122K43-Q47 CarbonylContact O-C 3.33Å; K43-Q47 WeakPolarHBondContact O-CA 3.41Å; K43-Q47 PolarHBondContact O-N 3Å; L44-Q47 PolarHBondContact O-N 3.48Å; L44-Q47 VanDerWaalsContact O-N 3.16Å; Q47-T49 PolarHBondContact O-N 3.11Å; Q47-T49 VanDerWaalsContact O-N 3.1Å; Q47-A118 HydrophobicContact CB-CB 4.08Å; Q47-A118 HydrophobicContact CG-CB 3.85Å; Q47-T122 HydrophobicContact CG-CG2 4.3Å
48Y93.6Very high95.8Very high132 Ų13238.1 Ų38.152%0.51819%0.192SC..THydrogen-bonded Turntrans61.215.6179.8-60.7-93.3000114.4F40 K43 L44 I46 I50F40-Y48 HydrophobicContact CE2-CD1 4.39Å; F40-Y48 HydrophobicContact CE2-CE1 4.4Å; K43-Y48 HydrophobicContact CB-CD1 4.16Å; K43-Y48 HydrophobicContact CB-CE1 4.18Å; K43-Y48 HydrophobicContact CD-CD1 4.49Å; K43-Y48 HydrophobicContact CD-CE1 3.77Å; K43-Y48 HydrophobicContact CG-CD1 4.5Å; K43-Y48 HydrophobicContact CG-CE1 4.02Å; K43-Y48 PolarHBondContact O-N 2.88Å; L44-Y48 HydrophobicContact CD2-CE2 3.97Å; L44-Y48 WeakPolarHBondContact CD2-OH 3.38Å; I46-Y48 VanDerWaalsContact C-N 3.34Å; I46-Y48 PolarHBondContact O-N 3.34Å; Y48-I50 PolarHBondContact O-N 3.24Å
49T92.6Very high95.9Very high24 Ų2441.5 Ų41.515%0.14721%0.206CC..  trans-66.8120173.2-49.60000109I46 Q47 F111 N114I46-T49 WeakPolarHBondContact CD1-O 3.48Å; I46-T49 VanDerWaalsContact O-CB 3.24Å; I46-T49 WeakPolarHBondContact O-CB 3.29Å; I46-T49 PolarHBondContact O-N 2.9Å; I46-T49 VanDerWaalsContact O-N 3.09Å; I46-T49 PolarHBondContact O-OG1 3.07Å; Q47-T49 PolarHBondContact O-N 3.11Å; Q47-T49 VanDerWaalsContact O-N 3.1Å; T49-F111 HydrophobicContact CG2-CD2 3.59Å; T49-F111 HydrophobicContact CG2-CE2 4.01Å; T49-F111 HydrophobicContact CG2-CG 4.46Å; T49-F111 WeakPolarHBondContact O-CE2 3.4Å; T49-N114 HydrophobicContact CG2-CB 3.65Å
50I93.1Very high96Very high67 Ų6741.5 Ų41.534%0.34421%0.206SC..  trans-133.5142.5177.358.9173.7000110.3L39 Y48 A52 P55L39-I50 HydrophobicContact CD2-CB 4.5Å; L39-I50 HydrophobicContact CD2-CG2 4.14Å; Y48-I50 PolarHBondContact O-N 3.24Å; I50-A52 PolarHBondContact O-N 3.16Å; I50-P55 HydrophobicContact CD1-CG 4.21Å
51P94Very high96.1Very high2 Ų237 Ų371%0.01319%0.186CC..  trans-62133.1172-22.334.1000111I53 Y54 P55 F111 V184 I188P51-I53 HydrophobicContact CB-CG2 4.15Å; P51-I53 PolarHBondContact O-N 3.42Å; P51-I53 VanDerWaalsContact O-N 3.1Å; P51-Y54 HydrophobicContact CB-CD1 4.4Å; P51-Y54 HydrophobicContact CB-CD2 4.45Å; P51-Y54 HydrophobicContact CB-CE1 4.34Å; P51-Y54 HydrophobicContact CB-CE2 4.42Å; P51-Y54 HydrophobicContact CB-CG 4.44Å; P51-Y54 HydrophobicContact CG-CD2 4.16Å; P51-Y54 HydrophobicContact CG-CE1 4.35Å; P51-Y54 HydrophobicContact CG-CE2 3.78Å; P51-Y54 PolarHBondContact O-N 3.4Å; P51-Y54 VanDerWaalsContact O-N 3.11Å; P51-P55 VanDerWaalsContact O-CD 3.29Å; P51-P55 WeakPolarHBondContact O-CD 3.27Å; P51-F111 HydrophobicContact CG-CD1 4.23Å; P51-F111 HydrophobicContact CG-CD2 3.75Å; P51-F111 HydrophobicContact CG-CE1 4.4Å; P51-F111 HydrophobicContact CG-CE2 3.95Å; P51-F111 HydrophobicContact CG-CG 3.93Å; P51-F111 HydrophobicContact CG-CZ 4.28Å; P51-V184 HydrophobicContact CG-CG1 3.58Å; P51-I188 HydrophobicContact CB-CD1 3.9Å; P51-I188 HydrophobicContact CB-CG1 4.07Å; P51-I188 HydrophobicContact CG-CD1 3.9Å; P51-I188 HydrophobicContact CG-CG1 4.27Å
52A93.2Very high96.2Very high52 Ų5236.5 Ų36.543%0.4319%0.189SC..THydrogen-bonded Turntrans-59.9-26.2-176.500000113.5I50 Y54 P55 T56 I100I50-A52 PolarHBondContact O-N 3.16Å; A52-Y54 VanDerWaalsContact C-N 3.28Å; A52-Y54 PolarHBondContact O-N 3.44Å; A52-P55 WeakPolarHBondContact O-CD 3.38Å; A52-P55 WeakPolarHBondContact O-CG 3.31Å; A52-T56 WeakPolarHBondContact O-CB 3.32Å; A52-T56 PolarHBondContact O-N 3.21Å; A52-T56 PolarHBondContact O-OG1 3.25Å; A52-I100 HydrophobicContact CB-CD1 4.16Å
53I95.5Very high96.2Very high0 Ų038.2 Ų38.20%020%0.198CC..Hα-helixtrans-67.8-24.9179.6-167.2163.3000113.5P51 G57 I100 S104 I188 L191 T192P51-I53 HydrophobicContact CB-CG2 4.15Å; P51-I53 PolarHBondContact O-N 3.42Å; P51-I53 VanDerWaalsContact O-N 3.1Å; I53-G57 PolarHBondContact O-N 2.96Å; I53-I100 HydrophobicContact CB-CG1 4.02Å; I53-I100 HydrophobicContact CG1-CG1 4Å; I53-S104 WeakPolarHBondContact CB-OG 3.39Å; I53-I188 HydrophobicContact CG2-CG1 4.1Å; I53-L191 HydrophobicContact CD1-CB 3.62Å; I53-L191 HydrophobicContact CG1-CB 3.97Å; I53-L191 HydrophobicContact CG1-CD1 4.41Å; I53-L191 HydrophobicContact CG2-CD1 4.37Å; I53-T192 VanDerWaalsContact CD1-OG1 3.31Å; I53-T192 WeakPolarHBondContact CD1-OG1 3.26Å
54Y95.7Very high96.3Very high0 Ų035.3 Ų35.30%019%0.186CC..Hα-helixtrans-66.6-61.9179.1-64.8-4.9000111.8S32 A35 Q36 L39 P51 A52 T56 G57 I58 V184 Y187 I188 L191S32-Y54 WeakPolarHBondContact CB-O 3.5Å; A35-Y54 HydrophobicContact CB-CD1 4.03Å; A35-Y54 HydrophobicContact CB-CD2 4.17Å; A35-Y54 HydrophobicContact CB-CE1 3.78Å; A35-Y54 HydrophobicContact CB-CE2 3.9Å; A35-Y54 HydrophobicContact CB-CG 4.23Å; Q36-Y54 HydrophobicContact CB-CD2 4.37Å; L39-Y54 HydrophobicContact CD2-CD2 4.41Å; L39-Y54 HydrophobicContact CD2-CE2 3.98Å; P51-Y54 HydrophobicContact CB-CD1 4.4Å; P51-Y54 HydrophobicContact CB-CD2 4.45Å; P51-Y54 HydrophobicContact CB-CE1 4.34Å; P51-Y54 HydrophobicContact CB-CE2 4.42Å; P51-Y54 HydrophobicContact CB-CG 4.44Å; P51-Y54 HydrophobicContact CG-CD2 4.16Å; P51-Y54 HydrophobicContact CG-CE1 4.35Å; P51-Y54 HydrophobicContact CG-CE2 3.78Å; P51-Y54 PolarHBondContact O-N 3.4Å; P51-Y54 VanDerWaalsContact O-N 3.11Å; A52-Y54 VanDerWaalsContact C-N 3.28Å; A52-Y54 PolarHBondContact O-N 3.44Å; Y54-T56 VanDerWaalsContact C-N 3.26Å; Y54-T56 PolarHBondContact O-N 3.48Å; Y54-G57 PolarHBondContact O-N 2.97Å; Y54-I58 WeakPolarHBondContact O-CG1 3.2Å; Y54-I58 PolarHBondContact O-N 3.2Å; Y54-I58 VanDerWaalsContact O-N 3.14Å; Y54-V184 PolarHBondContact OH-O 3.38Å; Y54-Y187 WeakPolarHBondContact OH-CB 3.41Å; Y54-I188 HydrophobicContact CE1-CG1 4.26Å; Y54-L191 HydrophobicContact CD1-CD1 3.63Å; Y54-L191 HydrophobicContact CE1-CD1 3.83Å
55P96.6Very high96.3Very high51 Ų5136.4 Ų36.433%0.33119%0.191SC..Hα-helixtrans-64-33.9178.725.9-34.9000112.1I50 P51 A52 I58 F59I50-P55 HydrophobicContact CD1-CG 4.21Å; P51-P55 VanDerWaalsContact O-CD 3.29Å; P51-P55 WeakPolarHBondContact O-CD 3.27Å; A52-P55 WeakPolarHBondContact O-CD 3.38Å; A52-P55 WeakPolarHBondContact O-CG 3.31Å; P55-I58 PolarHBondContact O-N 3.14Å; P55-F59 PolarHBondContact O-N 2.89Å
56T96.3Very high96.3Very high34 Ų3440.3 Ų40.321%0.20922%0.215CC..Hα-helixtrans-63.9-43.2176.7-54.40000111.5A52 Y54 I58 F59 T60 I96 I100A52-T56 WeakPolarHBondContact O-CB 3.32Å; A52-T56 PolarHBondContact O-N 3.21Å; A52-T56 PolarHBondContact O-OG1 3.25Å; Y54-T56 VanDerWaalsContact C-N 3.26Å; Y54-T56 PolarHBondContact O-N 3.48Å; T56-I58 VanDerWaalsContact C-N 3.35Å; T56-I58 PolarHBondContact O-N 2.92Å; T56-F59 PolarHBondContact O-N 3.29Å; T56-T60 HydrophobicContact CG2-CG2 4.29Å; T56-T60 WeakPolarHBondContact O-CG2 3.18Å; T56-T60 PolarHBondContact O-N 3.24Å; T56-T60 PolarHBondContact O-OG1 2.93Å; T56-T60 VanDerWaalsContact O-OG1 3.12Å; T56-I96 HydrophobicContact CG2-CG2 3.62Å; T56-I100 HydrophobicContact CG2-CB 3.98Å; T56-I100 HydrophobicContact CG2-CD1 4.27Å; T56-I100 HydrophobicContact CG2-CG1 3.88Å; T56-I100 HydrophobicContact CG2-CG2 4.18Å
57G97.6Very high96.4Very high0 Ų040.3 Ų40.30%022%0.215CC..Hα-helixtrans-66.8-32.6177.500000113.6S32 I53 Y54 G61S32-G57 WeakPolarHBondContact OG-CA 3.39Å; I53-G57 PolarHBondContact O-N 2.96Å; Y54-G57 PolarHBondContact O-N 2.97Å; G57-G61 PolarHBondContact O-N 3.35Å
58I98.3Very high96.5Very high39 Ų3936.1 Ų36.120%0.220%0.196CC..Hα-helixtrans-62.2-49.5169.9-60.1175.3000109.7F29 I33 Q36 Y54 P55 T56 C62F29-I58 HydrophobicContact CD2-CG2 4.04Å; F29-I58 HydrophobicContact CE2-CG2 3.85Å; I33-I58 HydrophobicContact CG1-CD1 3.88Å; I33-I58 HydrophobicContact CG1-CG1 3.89Å; I33-I58 HydrophobicContact CG1-CG2 4.36Å; Q36-I58 HydrophobicContact CB-CD1 4.46Å; Y54-I58 WeakPolarHBondContact O-CG1 3.2Å; Y54-I58 PolarHBondContact O-N 3.2Å; Y54-I58 VanDerWaalsContact O-N 3.14Å; P55-I58 PolarHBondContact O-N 3.14Å; T56-I58 VanDerWaalsContact C-N 3.35Å; T56-I58 PolarHBondContact O-N 2.92Å; I58-C62 WeakPolarHBondContact O-CB 3.3Å; I58-C62 PolarHBondContact O-N 3.2Å; I58-C62 PolarHBondContact O-SG 3.18Å
59F98.1Very high96.6Very high117 Ų11733.4 Ų33.451%0.51320%0.196SC..Hα-helixtrans-62-49.5-179.3175.5-101.6000112.3P55 T56 C62 L63 I96P55-F59 PolarHBondContact O-N 2.89Å; T56-F59 PolarHBondContact O-N 3.29Å; F59-C62 PolarHBondContact O-N 2.97Å; F59-L63 HydrophobicContact CE1-CD2 4.36Å; F59-L63 WeakPolarHBondContact O-CB 3.48Å; F59-L63 PolarHBondContact O-N 3.34Å; F59-I96 HydrophobicContact CD1-CD1 4.43Å; F59-I96 HydrophobicContact CE1-CD1 3.86Å
60T97.3Very high96.8Very high0 Ų033.5 Ų33.50%020%0.195CC..Hα-helixtrans-70.2-34.5-179.456.80000112.2L28 T56 L63 G64 I96 N97L28-T60 VanDerWaalsContact CD2-OG1 3.3Å; L28-T60 WeakPolarHBondContact CD2-OG1 3.32Å; T56-T60 HydrophobicContact CG2-CG2 4.29Å; T56-T60 WeakPolarHBondContact O-CG2 3.18Å; T56-T60 PolarHBondContact O-N 3.24Å; T56-T60 PolarHBondContact O-OG1 2.93Å; T56-T60 VanDerWaalsContact O-OG1 3.12Å; T60-L63 PolarHBondContact O-N 3.06Å; T60-G64 PolarHBondContact O-N 3.25Å; T60-I96 HydrophobicContact CG2-CB 3.92Å; T60-I96 HydrophobicContact CG2-CG2 3.37Å; T60-N97 WeakPolarHBondContact CB-OD1 3.45Å; T60-N97 WeakPolarHBondContact CG2-OD1 3.4Å; T60-N97 PolarHBondContact OG1-OD1 3.35Å
61G98.1Very high96.8Very high0 Ų030.3 Ų30.30%018%0.179CC..Hα-helixtrans-59.9-46.9171.300000112.4S25 G57 G64 L65S25-G61 WeakPolarHBondContact O-CA 3.27Å; G57-G61 PolarHBondContact O-N 3.35Å; G61-G64 PolarHBondContact O-N 2.77Å; G61-L65 WeakPolarHBondContact O-CG 3.46Å; G61-L65 PolarHBondContact O-N 2.92Å; G61-L65 VanDerWaalsContact O-N 3.13Å
62C98.3Very high96.8Very high53 Ų5332.7 Ų32.736%0.35819%0.189SC..Hα-helixtrans-60.8-47.6173.2-77.80000112.4F29 I58 F59 G64 L65 V66F29-C62 VanDerWaalsContact CD2-SG 3.53Å; F29-C62 WeakPolarHBondContact CE2-SG 3.19Å; I58-C62 WeakPolarHBondContact O-CB 3.3Å; I58-C62 PolarHBondContact O-N 3.2Å; I58-C62 PolarHBondContact O-SG 3.18Å; F59-C62 PolarHBondContact O-N 2.97Å; C62-G64 VanDerWaalsContact C-N 3.31Å; C62-G64 PolarHBondContact O-N 3.39Å; C62-L65 PolarHBondContact O-N 3.09Å; C62-V66 PolarHBondContact O-N 2.87Å
63L98Very high96.7Very high35 Ų3533.3 Ų33.318%0.18319%0.185CC..Hα-helixtrans-59.4-43.8179.3-178.761000111F59 T60 L65 V66 T67 C89 I92 E93F59-L63 HydrophobicContact CE1-CD2 4.36Å; F59-L63 WeakPolarHBondContact O-CB 3.48Å; F59-L63 PolarHBondContact O-N 3.34Å; T60-L63 PolarHBondContact O-N 3.06Å; L63-L65 PolarHBondContact O-N 2.85Å; L63-V66 WeakPolarHBondContact O-CB 3.19Å; L63-V66 PolarHBondContact O-N 2.85Å; L63-V66 VanDerWaalsContact O-N 3.14Å; L63-T67 PolarHBondContact O-N 3.2Å; L63-T67 PolarHBondContact O-OG1 3.48Å; L63-C89 HydrophobicContact CD1-CB 4.46Å; L63-I92 HydrophobicContact CD2-CG2 4.14Å; L63-E93 HydrophobicContact CD2-CB 4.31Å
64G98.3Very high96.3Very high0 Ų033.5 Ų33.50%019%0.187CC..Hα-helixtrans-67.3-31.9179.900000114.3S25 T60 G61 C62 T67 T68 E93S25-G64 WeakPolarHBondContact OG-CA 3.26Å; T60-G64 PolarHBondContact O-N 3.25Å; G61-G64 PolarHBondContact O-N 2.77Å; C62-G64 VanDerWaalsContact C-N 3.31Å; C62-G64 PolarHBondContact O-N 3.39Å; G64-T67 PolarHBondContact O-N 3.07Å; G64-T68 WeakPolarHBondContact O-CB 3.26Å; G64-T68 PolarHBondContact O-N 2.9Å; G64-T68 PolarHBondContact O-OG1 3.45Å; G64-E93 WeakPolarHBondContact CA-OE2 3.33Å
65L98.2Very high95.9Very high58 Ų5834.9 Ų34.930%0.30419%0.194SC..Hα-helixtrans-63.8-42.3169.5-69.2174000111.6F26 G61 C62 L63 T68 C69F26-L65 HydrophobicContact CB-CD2 4.19Å; G61-L65 WeakPolarHBondContact O-CG 3.46Å; G61-L65 PolarHBondContact O-N 2.92Å; G61-L65 VanDerWaalsContact O-N 3.13Å; C62-L65 PolarHBondContact O-N 3.09Å; L63-L65 PolarHBondContact O-N 2.85Å; L65-T68 WeakPolarHBondContact O-CB 3.38Å; L65-T68 PolarHBondContact O-N 3.31Å; L65-C69 PolarHBondContact O-N 3.37Å; L65-C69 VanDerWaalsContact O-N 3.14Å; L65-C69 PolarHBondContact O-SG 2.97Å
66V97.9Very high95.3Very high83 Ų8341.5 Ų41.550%0.50321%0.212SC..Hα-helixtrans-63.9-45.6173.6176.10000110.8C62 L63 T68 C69 L70C62-V66 PolarHBondContact O-N 2.87Å; L63-V66 WeakPolarHBondContact O-CB 3.19Å; L63-V66 PolarHBondContact O-N 2.85Å; L63-V66 VanDerWaalsContact O-N 3.14Å; V66-T68 VanDerWaalsContact C-N 3.28Å; V66-T68 PolarHBondContact O-N 3.42Å; V66-C69 WeakPolarHBondContact O-CB 3.47Å; V66-C69 PolarHBondContact O-N 2.87Å; V66-L70 HydrophobicContact CG1-CD1 4.21Å; V66-L70 HydrophobicContact CG1-CG 4.49Å; V66-L70 WeakPolarHBondContact O-CG 3.34Å; V66-L70 PolarHBondContact O-N 2.98Å
67T97.8Very high94.7Very high0 Ų048.7 Ų48.70%024%0.236CC..Hα-helixtrans-56.8-41.1176-56.20000111.7L21 L63 G64 L70 G71 H86 C89 L90L21-T67 HydrophobicContact CD2-CG2 3.76Å; L63-T67 PolarHBondContact O-N 3.2Å; L63-T67 PolarHBondContact O-OG1 3.48Å; G64-T67 PolarHBondContact O-N 3.07Å; T67-L70 PolarHBondContact O-N 3.03Å; T67-G71 PolarHBondContact O-N 3.37Å; T67-H86 PolarHBondContact O-ND1 2.97Å; T67-C89 HydrophobicContact CG2-CB 4.11Å; T67-C89 VanDerWaalsContact OG1-CB 3.22Å; T67-C89 WeakPolarHBondContact OG1-CB 3.49Å; T67-L90 HydrophobicContact CG2-CB 3.9Å
68T97.6Very high93.8Very high12 Ų1256.2 Ų56.27%0.07427%0.268CS..Hα-helixtrans-62.3-46.7177.3-61.60000111.5N18 L21 G22 G64 L65 V66 G71 F72N18-T68 PolarHBondContact ND2-O 2.99Å; L21-T68 WeakPolarHBondContact CG-OG1 3.45Å; G22-T68 VanDerWaalsContact CA-OG1 3.27Å; G22-T68 WeakPolarHBondContact CA-OG1 3.23Å; G22-T68 PolarHBondContact N-OG1 3.49Å; G64-T68 WeakPolarHBondContact O-CB 3.26Å; G64-T68 PolarHBondContact O-N 2.9Å; G64-T68 PolarHBondContact O-OG1 3.45Å; L65-T68 WeakPolarHBondContact O-CB 3.38Å; L65-T68 PolarHBondContact O-N 3.31Å; V66-T68 VanDerWaalsContact C-N 3.28Å; V66-T68 PolarHBondContact O-N 3.42Å; T68-G71 PolarHBondContact O-N 3.26Å; T68-F72 HydrophobicContact CG2-CD2 3.99Å; T68-F72 HydrophobicContact CG2-CE2 3.58Å; T68-F72 WeakPolarHBondContact O-CD2 3.38Å; T68-F72 PolarHBondContact O-N 3.2Å; T68-F72 VanDerWaalsContact O-N 3.11Å
69C96.6Very high92.9Very high75 Ų7557.7 Ų57.751%0.50728%0.276SS..Hα-helixtrans-61-44.4175.9-71.70000111.7L65 V66 G71 F72 L73L65-C69 PolarHBondContact O-N 3.37Å; L65-C69 VanDerWaalsContact O-N 3.14Å; L65-C69 PolarHBondContact O-SG 2.97Å; V66-C69 WeakPolarHBondContact O-CB 3.47Å; V66-C69 PolarHBondContact O-N 2.87Å; C69-G71 VanDerWaalsContact C-N 3.27Å; C69-G71 PolarHBondContact O-N 3.42Å; C69-F72 PolarHBondContact O-N 3.48Å; C69-L73 WeakPolarHBondContact O-CB 3.4Å; C69-L73 VanDerWaalsContact O-CG 3.29Å; C69-L73 WeakPolarHBondContact O-CG 3.08Å; C69-L73 PolarHBondContact O-N 3.32Å
70L95.5Very high92.2Very high25 Ų2554.1 Ų54.113%0.13126%0.262CS..Hα-helixtrans-59.7-38.5175.3-69.3171.9000111.9V66 T67 L73 G74 F82 L85 H86V66-L70 HydrophobicContact CG1-CD1 4.21Å; V66-L70 HydrophobicContact CG1-CG 4.49Å; V66-L70 WeakPolarHBondContact O-CG 3.34Å; V66-L70 PolarHBondContact O-N 2.98Å; T67-L70 PolarHBondContact O-N 3.03Å; L70-L73 PolarHBondContact O-N 3.48Å; L70-G74 PolarHBondContact O-N 3.34Å; L70-F82 HydrophobicContact CD2-CD1 3.89Å; L70-L85 HydrophobicContact CD1-CB 4.08Å; L70-H86 HydrophobicContact CB-CB 4Å
71G93.8Very high91.8Very high0 Ų059.6 Ų59.60%029%0.29CS..Hα-helixtrans-61-48.2175.700000112.7T67 T68 C69 G74 I75 H86T67-G71 PolarHBondContact O-N 3.37Å; T68-G71 PolarHBondContact O-N 3.26Å; C69-G71 VanDerWaalsContact C-N 3.27Å; C69-G71 PolarHBondContact O-N 3.42Å; G71-G74 PolarHBondContact O-N 3.05Å; G71-I75 PolarHBondContact O-N 3.45Å; G71-H86 WeakPolarHBondContact CA-ND1 3.4Å; G71-H86 PolarHBondContact N-ND1 2.8Å
72F94Very high91.5Very high52 Ų5262.8 Ų62.823%0.22830%0.304CS..Hα-helixtrans-65.5-43.5176.3-71.3-55.9000112.5N18 T68 C69 G74 I75 W76N18-F72 VanDerWaalsContact ND2-CD2 3.33Å; N18-F72 WeakPolarHBondContact ND2-CD2 3.38Å; N18-F72 VanDerWaalsContact ND2-CE2 3.28Å; N18-F72 WeakPolarHBondContact ND2-CE2 3.35Å; N18-F72 WeakPolarHBondContact ND2-CG 3.43Å; N18-F72 WeakPolarHBondContact ND2-CZ 3.31Å; T68-F72 HydrophobicContact CG2-CD2 3.99Å; T68-F72 HydrophobicContact CG2-CE2 3.58Å; T68-F72 WeakPolarHBondContact O-CD2 3.38Å; T68-F72 PolarHBondContact O-N 3.2Å; T68-F72 VanDerWaalsContact O-N 3.11Å; C69-F72 PolarHBondContact O-N 3.48Å; F72-G74 VanDerWaalsContact C-N 3.33Å; F72-G74 PolarHBondContact O-N 2.88Å; F72-I75 PolarHBondContact O-N 3.03Å; F72-W76 HydrophobicContact CB-CE3 4.25Å; F72-W76 HydrophobicContact CB-CH2 4.39Å; F72-W76 HydrophobicContact CB-CZ3 4.14Å; F72-W76 PolarHBondContact O-N 3.42Å
73L91.9Very high91Very high66 Ų6661.1 Ų61.135%0.34629%0.291SS..Hα-helixtrans-61.9-40.7176.8-71.4174.4000112C69 L70 I75 W76 R77 F82C69-L73 WeakPolarHBondContact O-CB 3.4Å; C69-L73 VanDerWaalsContact O-CG 3.29Å; C69-L73 WeakPolarHBondContact O-CG 3.08Å; C69-L73 PolarHBondContact O-N 3.32Å; L70-L73 PolarHBondContact O-N 3.48Å; L73-I75 VanDerWaalsContact C-N 3.32Å; L73-I75 PolarHBondContact O-N 3.3Å; L73-W76 PolarHBondContact O-N 3.37Å; L73-R77 WeakPolarHBondContact O-CB 3.22Å; L73-R77 PolarHBondContact O-N 2.83Å; L73-F82 HydrophobicContact CB-CD2 4.37Å; L73-F82 HydrophobicContact CB-CG 4.35Å
74G87.2Confident90.7Very high4 Ų463.1 Ų63.14%0.04130%0.301CS..Hα-helixtrans-59.5-41.417600000112.5L70 G71 F72 K78L70-G74 PolarHBondContact O-N 3.34Å; G71-G74 PolarHBondContact O-N 3.05Å; F72-G74 VanDerWaalsContact C-N 3.33Å; F72-G74 PolarHBondContact O-N 2.88Å; G74-K78 WeakPolarHBondContact O-CA 3.48Å; G74-K78 PolarHBondContact O-N 3.37Å
75I86.8Confident90.5Very high28 Ų2866.5 Ų66.514%0.14432%0.319CS..Hα-helixtrans-68.3-55.5174.1-79.5179.6000111.8F11 F14 I15 G71 F72 L73 R77 K78F11-I75 HydrophobicContact CD2-CD1 4.3Å; F11-I75 HydrophobicContact CE2-CB 4.45Å; F11-I75 HydrophobicContact CE2-CD1 3.88Å; F11-I75 HydrophobicContact CE2-CG1 4.15Å; F11-I75 HydrophobicContact CE2-CG2 3.52Å; F11-I75 HydrophobicContact CZ-CG2 3.86Å; F14-I75 HydrophobicContact CD1-CD1 3.16Å; F14-I75 HydrophobicContact CD1-CG1 4.17Å; F14-I75 HydrophobicContact CE1-CD1 3.34Å; F14-I75 HydrophobicContact CE1-CG1 3.98Å; F14-I75 HydrophobicContact CG-CD1 4.13Å; F14-I75 HydrophobicContact CZ-CD1 4.42Å; I15-I75 HydrophobicContact CG1-CD1 4.09Å; G71-I75 PolarHBondContact O-N 3.45Å; F72-I75 PolarHBondContact O-N 3.03Å; L73-I75 VanDerWaalsContact C-N 3.32Å; L73-I75 PolarHBondContact O-N 3.3Å; I75-R77 PolarHBondContact O-N 3.17Å; I75-K78 PolarHBondContact O-N 3.14Å
76W83.7Confident90.4Very high190 Ų19063.8 Ų63.872%0.7230%0.304SS*.Hα-helixtrans-66.2-41.4-169.5-74.8-29.4000112.4F72 L73F72-W76 HydrophobicContact CB-CE3 4.25Å; F72-W76 HydrophobicContact CB-CH2 4.39Å; F72-W76 HydrophobicContact CB-CZ3 4.14Å; F72-W76 PolarHBondContact O-N 3.42Å; L73-W76 PolarHBondContact O-N 3.37Å
77R83.6Confident90.2Very high186 Ų18660.7 Ų60.770%0.70229%0.286SS*.Hα-helixtrans-88.6-10.5-179.5-63.5-68.8-172.1169.8-0.1113.2L73 I75 I79L73-R77 WeakPolarHBondContact O-CB 3.22Å; L73-R77 PolarHBondContact O-N 2.83Å; I75-R77 PolarHBondContact O-N 3.17Å; R77-I79 HydrophobicContact CB-CB 4.39Å; R77-I79 HydrophobicContact CB-CD1 3.62Å; R77-I79 HydrophobicContact CB-CG1 3.8Å; R77-I79 HydrophobicContact CG-CD1 4.34Å; R77-I79 PolarHBondContact O-N 3.37Å; R77-I79 VanDerWaalsContact O-N 3.13Å
78K78.3Confident90.2Very high157 Ų15764.7 Ų64.768%0.68331%0.306SS*.  trans50.532.9-173.6-57.7-179.6-179.3176.40112.9G74 I75 K220G74-K78 WeakPolarHBondContact O-CA 3.48Å; G74-K78 PolarHBondContact O-N 3.37Å; I75-K78 PolarHBondContact O-N 3.14Å; K78-K220 PolarHBondContact O-NZ 3.34Å
79I79.6Confident90.2Very high70 Ų7065.2 Ų65.236%0.35931%0.31SS..  trans-94115.1178.5-65.8169.6000107.9R77 I81 F82R77-I79 HydrophobicContact CB-CB 4.39Å; R77-I79 HydrophobicContact CB-CD1 3.62Å; R77-I79 HydrophobicContact CB-CG1 3.8Å; R77-I79 HydrophobicContact CG-CD1 4.34Å; R77-I79 PolarHBondContact O-N 3.37Å; R77-I79 VanDerWaalsContact O-N 3.13Å; I79-I81 HydrophobicContact CG2-CB 4.06Å; I79-I81 PolarHBondContact O-N 2.99Å; I79-F82 HydrophobicContact CB-CD2 3.85Å; I79-F82 HydrophobicContact CB-CE2 4.37Å; I79-F82 HydrophobicContact CD1-CD2 4.11Å; I79-F82 HydrophobicContact CD1-CE2 3.81Å; I79-F82 HydrophobicContact CG2-CD2 3.92Å; I79-F82 HydrophobicContact CG2-CE2 4.29Å; I79-F82 PolarHBondContact O-N 3.36Å
80N83.3Confident90.2Very high42 Ų4261.7 Ų61.723%0.22529%0.286CS..Hα-helixtrans-60.7-29.3-176.1-66.3-10.3000112.7Y83 I84 L213 S216N80-Y83 WeakPolarHBondContact O-CB 3.3Å; N80-Y83 PolarHBondContact O-N 3.13Å; N80-I84 VanDerWaalsContact O-CG1 3.32Å; N80-I84 WeakPolarHBondContact O-CG1 3.35Å; N80-I84 PolarHBondContact O-N 3.43Å; N80-L213 HydrophobicContact CB-CD1 4.47Å; N80-S216 PolarHBondContact OD1-OG 2.82Å
81I89.8Confident90.3Very high115 Ų11562.9 Ų62.959%0.5930%0.295SS*.Hα-helixtrans-62.4-48.7-179.9-62.4172.1000111.5I79 Y83 I84 L85I79-I81 HydrophobicContact CG2-CB 4.06Å; I79-I81 PolarHBondContact O-N 2.99Å; I81-Y83 PolarHBondContact O-N 3.3Å; I81-I84 PolarHBondContact O-N 3.42Å; I81-L85 HydrophobicContact CG2-CD1 4.14Å; I81-L85 HydrophobicContact CG2-CG 4.49Å; I81-L85 WeakPolarHBondContact O-CG 3.31Å; I81-L85 PolarHBondContact O-N 3.49Å
82F90.6Very high90.5Very high67 Ų6766.7 Ų66.729%0.29431%0.314SS..Hα-helixtrans-62-33.8177.1-68.3-53.5000111.9L70 L73 I79 H86L70-F82 HydrophobicContact CD2-CD1 3.89Å; L73-F82 HydrophobicContact CB-CD2 4.37Å; L73-F82 HydrophobicContact CB-CG 4.35Å; I79-F82 HydrophobicContact CB-CD2 3.85Å; I79-F82 HydrophobicContact CB-CE2 4.37Å; I79-F82 HydrophobicContact CD1-CD2 4.11Å; I79-F82 HydrophobicContact CD1-CE2 3.81Å; I79-F82 HydrophobicContact CG2-CD2 3.92Å; I79-F82 HydrophobicContact CG2-CE2 4.29Å; I79-F82 PolarHBondContact O-N 3.36Å; F82-H86 WeakPolarHBondContact O-CB 3.38Å; F82-H86 PolarHBondContact O-N 2.96Å
83Y87.8Confident90.6Very high19 Ų1964.2 Ų64.28%0.07530%0.303CS..Hα-helixtrans-68.2-43.2176.2-156-79.6000112.6F14 N80 I81 H86 V87 S209 N212 L213F14-Y83 HydrophobicContact CD2-CE2 4.38Å; F14-Y83 VanDerWaalsContact CD2-OH 3.23Å; F14-Y83 WeakPolarHBondContact CD2-OH 3.32Å; F14-Y83 AromaticContact CE2-CE2 3.71Å; F14-Y83 HydrophobicContact CE2-CE2 3.71Å; F14-Y83 AromaticContact CE2-CZ 3.63Å; F14-Y83 WeakPolarHBondContact CE2-OH 3.39Å; F14-Y83 AromaticContact CZ-CE2 3.91Å; F14-Y83 HydrophobicContact CZ-CE2 3.91Å; N80-Y83 WeakPolarHBondContact O-CB 3.3Å; N80-Y83 PolarHBondContact O-N 3.13Å; I81-Y83 PolarHBondContact O-N 3.3Å; Y83-H86 WeakPolarHBondContact O-CB 3.47Å; Y83-H86 PolarHBondContact O-N 3.24Å; Y83-V87 HydrophobicContact CD1-CG2 4.17Å; Y83-V87 HydrophobicContact CE1-CG2 4Å; Y83-V87 WeakPolarHBondContact O-CG2 3.4Å; Y83-V87 PolarHBondContact O-N 2.93Å; Y83-V87 VanDerWaalsContact O-N 3.07Å; Y83-S209 WeakPolarHBondContact CE1-O 3.48Å; Y83-S209 WeakPolarHBondContact OH-CA 3.38Å; Y83-S209 PolarHBondContact OH-O 3.45Å; Y83-N212 WeakPolarHBondContact OH-CB 3.2Å; Y83-L213 HydrophobicContact CD1-CB 3.64Å; Y83-L213 HydrophobicContact CD1-CD1 3.75Å; Y83-L213 HydrophobicContact CD1-CD2 4.19Å; Y83-L213 HydrophobicContact CD1-CG 4.05Å; Y83-L213 HydrophobicContact CE1-CB 3.59Å; Y83-L213 HydrophobicContact CE1-CG 4.48Å; Y83-L213 HydrophobicContact CG-CD1 4.19Å
84I92Very high90.9Very high76 Ų7661.5 Ų61.539%0.3929%0.289SS..Hα-helixtrans-62.8-45.3175.2-69.4164000110N80 I81 H86 V87 I88 L213N80-I84 VanDerWaalsContact O-CG1 3.32Å; N80-I84 WeakPolarHBondContact O-CG1 3.35Å; N80-I84 PolarHBondContact O-N 3.43Å; I81-I84 PolarHBondContact O-N 3.42Å; I84-H86 VanDerWaalsContact C-N 3.34Å; I84-H86 PolarHBondContact O-N 2.94Å; I84-V87 PolarHBondContact O-N 3.47Å; I84-I88 HydrophobicContact CG2-CD1 3.77Å; I84-I88 HydrophobicContact CG2-CG1 4.42Å; I84-I88 WeakPolarHBondContact O-CG1 3.47Å; I84-I88 PolarHBondContact O-N 2.87Å; I84-L213 HydrophobicContact CG1-CD1 4.4Å; I84-L213 HydrophobicContact CG1-CD2 3.87Å
85L94.8Very high91.4Very high72 Ų7266 Ų6638%0.37731%0.311SS..Hα-helixtrans-59.7-44.1176.1-71.3172.4000111.8L70 I81 V87 I88 C89L70-L85 HydrophobicContact CD1-CB 4.08Å; I81-L85 HydrophobicContact CG2-CD1 4.14Å; I81-L85 HydrophobicContact CG2-CG 4.49Å; I81-L85 WeakPolarHBondContact O-CG 3.31Å; I81-L85 PolarHBondContact O-N 3.49Å; L85-V87 VanDerWaalsContact C-N 3.35Å; L85-V87 PolarHBondContact O-N 2.88Å; L85-I88 PolarHBondContact O-N 2.84Å; L85-C89 WeakPolarHBondContact O-CB 3.37Å; L85-C89 PolarHBondContact O-N 2.68Å; L85-C89 PolarHBondContact O-SG 2.95Å; L85-C89 VanDerWaalsContact O-SG 3.34Å
86H95Very high91.9Very high0 Ų066.9 Ų66.90%032%0.316CS..Hα-helixtrans-55.4-47.7174.1168.981.4000111.9F14 N18 T67 L70 G71 F82 Y83 I84 I88 C89 L90 F205F14-H86 AromaticContact CE2-NE2 3.68Å; F14-H86 AromaticContact CZ-CD2 3.96Å; F14-H86 AromaticContact CZ-NE2 3.63Å; N18-H86 PolarHBondContact OD1-CE1 2.93Å; T67-H86 PolarHBondContact O-ND1 2.97Å; L70-H86 HydrophobicContact CB-CB 4Å; G71-H86 WeakPolarHBondContact CA-ND1 3.4Å; G71-H86 PolarHBondContact N-ND1 2.8Å; F82-H86 WeakPolarHBondContact O-CB 3.38Å; F82-H86 PolarHBondContact O-N 2.96Å; Y83-H86 WeakPolarHBondContact O-CB 3.47Å; Y83-H86 PolarHBondContact O-N 3.24Å; I84-H86 VanDerWaalsContact C-N 3.34Å; I84-H86 PolarHBondContact O-N 2.94Å; H86-I88 PolarHBondContact O-N 3.34Å; H86-C89 PolarHBondContact O-N 2.9Å; H86-L90 WeakPolarHBondContact O-CB 3.4Å; H86-L90 PolarHBondContact O-N 3.26Å; H86-F205 AromaticContact CE1-CE1 3.92Å; H86-F205 AromaticContact CE1-CZ 3.79Å; H86-F205 AromaticContact NE2-CE1 3.94Å; H86-F205 AromaticContact NE2-CZ 3.56Å
87V94.9Very high92.5Very high19 Ų1957.8 Ų57.812%0.11528%0.281CS..Hα-helixtrans-64-41.2178.8174.10000111.8Y83 I84 L85 T91 I210Y83-V87 HydrophobicContact CD1-CG2 4.17Å; Y83-V87 HydrophobicContact CE1-CG2 4Å; Y83-V87 WeakPolarHBondContact O-CG2 3.4Å; Y83-V87 PolarHBondContact O-N 2.93Å; Y83-V87 VanDerWaalsContact O-N 3.07Å; I84-V87 PolarHBondContact O-N 3.47Å; L85-V87 VanDerWaalsContact C-N 3.35Å; L85-V87 PolarHBondContact O-N 2.88Å; V87-T91 WeakPolarHBondContact O-CB 3.33Å; V87-T91 PolarHBondContact O-N 3.38Å; V87-T91 PolarHBondContact O-OG1 3.47Å; V87-I210 HydrophobicContact CG1-CG1 4.15Å
88I96.7Very high93.1Very high84 Ų8452 Ų5243%0.43126%0.264SS..Hα-helixtrans-63.5-51.1178-67.7168.3000110.4I84 L85 H86 L90 T91 I92I84-I88 HydrophobicContact CG2-CD1 3.77Å; I84-I88 HydrophobicContact CG2-CG1 4.42Å; I84-I88 WeakPolarHBondContact O-CG1 3.47Å; I84-I88 PolarHBondContact O-N 2.87Å; L85-I88 PolarHBondContact O-N 2.84Å; H86-I88 PolarHBondContact O-N 3.34Å; I88-L90 PolarHBondContact O-N 3.25Å; I88-T91 WeakPolarHBondContact O-CB 3.31Å; I88-T91 PolarHBondContact O-N 3.19Å; I88-I92 HydrophobicContact CG2-CD1 3.93Å; I88-I92 WeakPolarHBondContact O-CG1 3.35Å; I88-I92 PolarHBondContact O-N 2.89Å
89C97.7Very high94Very high23 Ų2347.8 Ų47.816%0.15525%0.254CS..Hα-helixtrans-62.3-42.9179.7-66.20000111.9L63 T67 L85 H86 T91 I92 E93L63-C89 HydrophobicContact CD1-CB 4.46Å; T67-C89 HydrophobicContact CG2-CB 4.11Å; T67-C89 VanDerWaalsContact OG1-CB 3.22Å; T67-C89 WeakPolarHBondContact OG1-CB 3.49Å; L85-C89 WeakPolarHBondContact O-CB 3.37Å; L85-C89 PolarHBondContact O-N 2.68Å; L85-C89 PolarHBondContact O-SG 2.95Å; L85-C89 VanDerWaalsContact O-SG 3.34Å; H86-C89 PolarHBondContact O-N 2.9Å; C89-T91 VanDerWaalsContact C-N 3.29Å; C89-T91 PolarHBondContact O-N 2.97Å; C89-I92 PolarHBondContact O-N 3.4Å; C89-E93 WeakPolarHBondContact O-CB 3.34Å; C89-E93 PolarHBondContact O-N 3.39Å
90L97.5Very high94.7Very high0 Ų045.2 Ų45.20%024%0.24CC..Hα-helixtrans-60.6-38.7175.6-17762.1000111.9L21 T67 H86 I88 T94 Y202 F205 I206L21-L90 HydrophobicContact CD1-CD1 4.22Å; L21-L90 HydrophobicContact CD2-CD1 4.22Å; T67-L90 HydrophobicContact CG2-CB 3.9Å; H86-L90 WeakPolarHBondContact O-CB 3.4Å; H86-L90 PolarHBondContact O-N 3.26Å; I88-L90 PolarHBondContact O-N 3.25Å; L90-T94 WeakPolarHBondContact O-CB 3.5Å; L90-T94 PolarHBondContact O-N 2.99Å; L90-T94 PolarHBondContact O-OG1 2.72Å; L90-Y202 HydrophobicContact CD1-CD1 4.37Å; L90-Y202 HydrophobicContact CD1-CD2 3.96Å; L90-Y202 HydrophobicContact CD1-CG 3.89Å; L90-F205 HydrophobicContact CD1-CD1 4.1Å; L90-F205 HydrophobicContact CD2-CB 4.19Å; L90-F205 HydrophobicContact CD2-CD1 3.52Å; L90-F205 HydrophobicContact CD2-CE1 3.98Å; L90-F205 HydrophobicContact CD2-CG 3.85Å; L90-F205 HydrophobicContact CG-CD1 4.47Å; L90-I206 HydrophobicContact CB-CG1 4.42Å; L90-I206 HydrophobicContact CD2-CG1 3.6Å; L90-I206 HydrophobicContact CG-CD1 4.3Å; L90-I206 HydrophobicContact CG-CG1 3.71Å
91T97.7Very high95.3Very high51 Ų5143.3 Ų43.331%0.31323%0.231SC..Hα-helixtrans-65.8-45.8176.4-56.30000111.2V87 I88 C89 T94 I95V87-T91 WeakPolarHBondContact O-CB 3.33Å; V87-T91 PolarHBondContact O-N 3.38Å; V87-T91 PolarHBondContact O-OG1 3.47Å; I88-T91 WeakPolarHBondContact O-CB 3.31Å; I88-T91 PolarHBondContact O-N 3.19Å; C89-T91 VanDerWaalsContact C-N 3.29Å; C89-T91 PolarHBondContact O-N 2.97Å; T91-T94 PolarHBondContact O-N 2.65Å; T91-I95 HydrophobicContact CG2-CD1 4.1Å; T91-I95 WeakPolarHBondContact O-CG1 3.32Å; T91-I95 PolarHBondContact O-N 3.15Å
92I97.8Very high95.4Very high80 Ų8041.4 Ų41.441%0.4122%0.224SC..Hα-helixtrans-60.8-47.8176.8-67.6167.6000110.5L63 I88 C89 T94 I95 I96L63-I92 HydrophobicContact CD2-CG2 4.14Å; I88-I92 HydrophobicContact CG2-CD1 3.93Å; I88-I92 WeakPolarHBondContact O-CG1 3.35Å; I88-I92 PolarHBondContact O-N 2.89Å; C89-I92 PolarHBondContact O-N 3.4Å; I92-T94 VanDerWaalsContact C-N 3.32Å; I92-T94 PolarHBondContact O-N 3.31Å; I92-I95 PolarHBondContact O-N 3.29Å; I92-I96 HydrophobicContact CG2-CD1 3.74Å; I92-I96 HydrophobicContact CG2-CG1 4.4Å; I92-I96 WeakPolarHBondContact O-CG1 3.31Å; I92-I96 PolarHBondContact O-N 2.92Å
93E96.6Very high95.6Very high0 Ų040.8 Ų40.80%023%0.226CC..Hα-helixtrans-59.1-42.9178-175.9179.6170.400111.8S25 L63 G64 C89 I95 I96 N97 Y202S25-E93 PolarHBondContact OG-OE1 3.45Å; L63-E93 HydrophobicContact CD2-CB 4.31Å; G64-E93 WeakPolarHBondContact CA-OE2 3.33Å; C89-E93 WeakPolarHBondContact O-CB 3.34Å; C89-E93 PolarHBondContact O-N 3.39Å; E93-I95 PolarHBondContact O-N 3.48Å; E93-I96 PolarHBondContact O-N 3.24Å; E93-N97 VanDerWaalsContact O-CB 3.31Å; E93-N97 WeakPolarHBondContact O-CB 3.41Å; E93-N97 VanDerWaalsContact O-CG 3.3Å; E93-N97 PolarHBondContact O-N 3.41Å; E93-N97 PolarHBondContact O-ND2 3.07Å; E93-Y202 HydrophobicContact CG-CE2 4.11Å; E93-Y202 WeakPolarHBondContact OE1-CE2 3.46Å
94T97.5Very high95.7Very high8 Ų840 Ų405%0.04922%0.223CC..Hα-helixtrans-61.7-43.9177.2-56.60000111.8L90 T91 I92 L98 Y202 I203L90-T94 WeakPolarHBondContact O-CB 3.5Å; L90-T94 PolarHBondContact O-N 2.99Å; L90-T94 PolarHBondContact O-OG1 2.72Å; T91-T94 PolarHBondContact O-N 2.65Å; I92-T94 VanDerWaalsContact C-N 3.32Å; I92-T94 PolarHBondContact O-N 3.31Å; T94-L98 WeakPolarHBondContact O-CB 3.33Å; T94-L98 PolarHBondContact O-N 3.27Å; T94-Y202 WeakPolarHBondContact OG1-CB 3.32Å; T94-I203 HydrophobicContact CG2-CG1 3.87Å
95I97.9Very high95.5Very high99 Ų9941.6 Ų41.651%0.50824%0.236SC..Hα-helixtrans-64-48.3178.3-67.8166.6000110.1T91 I92 E93 N97 L98 C99T91-I95 HydrophobicContact CG2-CD1 4.1Å; T91-I95 WeakPolarHBondContact O-CG1 3.32Å; T91-I95 PolarHBondContact O-N 3.15Å; I92-I95 PolarHBondContact O-N 3.29Å; E93-I95 PolarHBondContact O-N 3.48Å; I95-N97 PolarHBondContact O-N 2.73Å; I95-L98 PolarHBondContact O-N 3.48Å; I95-C99 VanDerWaalsContact O-CB 3.32Å; I95-C99 WeakPolarHBondContact O-CB 3.31Å; I95-C99 PolarHBondContact O-N 3.04Å; I95-C99 PolarHBondContact O-SG 3.02Å
96I97.7Very high95Very high46 Ų4643.8 Ų43.824%0.23625%0.247CC..Hα-helixtrans-62.9-46.2-179.1-63.3170.8000110.7T56 F59 T60 I92 E93 L98 C99 I100T56-I96 HydrophobicContact CG2-CG2 3.62Å; F59-I96 HydrophobicContact CD1-CD1 4.43Å; F59-I96 HydrophobicContact CE1-CD1 3.86Å; T60-I96 HydrophobicContact CG2-CB 3.92Å; T60-I96 HydrophobicContact CG2-CG2 3.37Å; I92-I96 HydrophobicContact CG2-CD1 3.74Å; I92-I96 HydrophobicContact CG2-CG1 4.4Å; I92-I96 WeakPolarHBondContact O-CG1 3.31Å; I92-I96 PolarHBondContact O-N 2.92Å; E93-I96 PolarHBondContact O-N 3.24Å; I96-L98 VanDerWaalsContact C-N 3.34Å; I96-L98 PolarHBondContact O-N 3.34Å; I96-C99 PolarHBondContact O-N 2.89Å; I96-I100 WeakPolarHBondContact O-CB 3.5Å; I96-I100 WeakPolarHBondContact O-CG2 3.28Å; I96-I100 PolarHBondContact O-N 3.39Å
97N96.5Very high94.2Very high0 Ų047.6 Ų47.60%027%0.266CS..Hα-helixtrans-62.5-40.2179.8-75.8-15.9000112.1T60 E93 I95 I100 A101 C195 S199T60-N97 WeakPolarHBondContact CB-OD1 3.45Å; T60-N97 WeakPolarHBondContact CG2-OD1 3.4Å; T60-N97 PolarHBondContact OG1-OD1 3.35Å; E93-N97 VanDerWaalsContact O-CB 3.31Å; E93-N97 WeakPolarHBondContact O-CB 3.41Å; E93-N97 VanDerWaalsContact O-CG 3.3Å; E93-N97 PolarHBondContact O-N 3.41Å; E93-N97 PolarHBondContact O-ND2 3.07Å; I95-N97 PolarHBondContact O-N 2.73Å; N97-I100 WeakPolarHBondContact O-CG2 3.48Å; N97-A101 VanDerWaalsContact O-CB 3.25Å; N97-A101 WeakPolarHBondContact O-CB 3.33Å; N97-A101 PolarHBondContact O-N 2.9Å; N97-A101 VanDerWaalsContact O-N 3.07Å; N97-C195 HydrophobicContact CB-CB 4.2Å; N97-S199 WeakPolarHBondContact CB-OG 3.33Å
98L96.2Very high93.2Very high64 Ų6447.7 Ų47.734%0.33527%0.266SS..Hα-helixtrans-67.9-45.8175.8-177.461.8000111.4T94 I95 I96 A101 V102 S199T94-L98 WeakPolarHBondContact O-CB 3.33Å; T94-L98 PolarHBondContact O-N 3.27Å; I95-L98 PolarHBondContact O-N 3.48Å; I96-L98 VanDerWaalsContact C-N 3.34Å; I96-L98 PolarHBondContact O-N 3.34Å; L98-A101 PolarHBondContact O-N 3.45Å; L98-V102 WeakPolarHBondContact O-CG2 3.25Å; L98-V102 PolarHBondContact O-N 3.45Å; L98-V102 VanDerWaalsContact O-N 3.08Å; L98-S199 PolarHBondContact N-OG 2.76Å
99C96.3Very high92.5Very high69 Ų6949.1 Ų49.147%0.46628%0.275SS..Hα-helixtrans-60.6-49.2178.2-74.40000111.6I95 I96 A101 V102 V103I95-C99 VanDerWaalsContact O-CB 3.32Å; I95-C99 WeakPolarHBondContact O-CB 3.31Å; I95-C99 PolarHBondContact O-N 3.04Å; I95-C99 PolarHBondContact O-SG 3.02Å; I96-C99 PolarHBondContact O-N 2.89Å; C99-A101 VanDerWaalsContact C-N 3.32Å; C99-A101 PolarHBondContact O-N 3.36Å; C99-V102 PolarHBondContact O-N 3.01Å; C99-V103 VanDerWaalsContact O-CB 3.29Å; C99-V103 WeakPolarHBondContact O-CB 3.44Å; C99-V103 WeakPolarHBondContact O-CG2 3.38Å; C99-V103 PolarHBondContact O-N 3.4Å
100I95.3Very high92.1Very high16 Ų1653.5 Ų53.58%0.08229%0.293CS..Hα-helixtrans-66.7-35.3-178.9-164.362.5000111.7A52 I53 T56 I96 N97 V103 S104A52-I100 HydrophobicContact CB-CD1 4.16Å; I53-I100 HydrophobicContact CB-CG1 4.02Å; I53-I100 HydrophobicContact CG1-CG1 4Å; T56-I100 HydrophobicContact CG2-CB 3.98Å; T56-I100 HydrophobicContact CG2-CD1 4.27Å; T56-I100 HydrophobicContact CG2-CG1 3.88Å; T56-I100 HydrophobicContact CG2-CG2 4.18Å; I96-I100 WeakPolarHBondContact O-CB 3.5Å; I96-I100 WeakPolarHBondContact O-CG2 3.28Å; I96-I100 PolarHBondContact O-N 3.39Å; N97-I100 WeakPolarHBondContact O-CG2 3.48Å; I100-V103 PolarHBondContact O-N 3.48Å; I100-S104 WeakPolarHBondContact O-CB 3.44Å; I100-S104 PolarHBondContact O-N 2.98Å; I100-S104 PolarHBondContact O-OG 2.99Å
101A94.5Very high91.8Very high2 Ų254.1 Ų54.12%0.01730%0.296CS..Hα-helixtrans-63-43.3175.200000111.9N97 L98 C99 V105 T192 C195 F196N97-A101 VanDerWaalsContact O-CB 3.25Å; N97-A101 WeakPolarHBondContact O-CB 3.33Å; N97-A101 PolarHBondContact O-N 2.9Å; N97-A101 VanDerWaalsContact O-N 3.07Å; L98-A101 PolarHBondContact O-N 3.45Å; C99-A101 VanDerWaalsContact C-N 3.32Å; C99-A101 PolarHBondContact O-N 3.36Å; A101-V105 WeakPolarHBondContact O-CG2 3.49Å; A101-V105 PolarHBondContact O-N 3Å; A101-T192 HydrophobicContact CB-CG2 4.19Å; A101-C195 HydrophobicContact CB-CB 4.12Å; A101-F196 HydrophobicContact CB-CB 4.24Å; A101-F196 HydrophobicContact CB-CD2 4.45Å
102V93.2Very high91.6Very high74 Ų7452.7 Ų52.745%0.44829%0.285SS..Hα-helixtrans-68-43.7175.9173.20000111.2L98 C99 V105 I106L98-V102 WeakPolarHBondContact O-CG2 3.25Å; L98-V102 PolarHBondContact O-N 3.45Å; L98-V102 VanDerWaalsContact O-N 3.08Å; C99-V102 PolarHBondContact O-N 3.01Å; V102-V105 PolarHBondContact O-N 3.34Å; V102-I106 HydrophobicContact CG1-CD1 4.14Å; V102-I106 WeakPolarHBondContact O-CG1 3.26Å; V102-I106 PolarHBondContact O-N 3.39Å
103V93Very high91.5Very high55 Ų5554 Ų5433%0.33329%0.292SS..Hα-helixtrans-65.5-41.2-178.4167.30000111.4C99 I100 V105 I106 I107C99-V103 VanDerWaalsContact O-CB 3.29Å; C99-V103 WeakPolarHBondContact O-CB 3.44Å; C99-V103 WeakPolarHBondContact O-CG2 3.38Å; C99-V103 PolarHBondContact O-N 3.4Å; I100-V103 PolarHBondContact O-N 3.48Å; V103-V105 PolarHBondContact O-N 3.37Å; V103-I106 PolarHBondContact O-N 3.39Å; V103-I106 VanDerWaalsContact O-N 3.08Å; V103-I107 HydrophobicContact CG1-CB 4.22Å; V103-I107 HydrophobicContact CG1-CD1 3.43Å; V103-I107 VanDerWaalsContact CG1-CD1 3.43Å; V103-I107 HydrophobicContact CG1-CG1 3.82Å; V103-I107 WeakPolarHBondContact O-CB 3.34Å; V103-I107 PolarHBondContact O-N 3.47Å
104S91.7Very high91.4Very high3 Ų356.9 Ų56.92%0.02131%0.307CS..Hα-helixtrans-57.2-50.8176.5-83.20000111.3I53 I100 I106 I107 D108I53-S104 WeakPolarHBondContact CB-OG 3.39Å; I100-S104 WeakPolarHBondContact O-CB 3.44Å; I100-S104 PolarHBondContact O-N 2.98Å; I100-S104 PolarHBondContact O-OG 2.99Å; S104-I106 PolarHBondContact O-N 2.94Å; S104-I107 PolarHBondContact O-N 2.93Å; S104-D108 VanDerWaalsContact C-CG 3.46Å; S104-D108 WeakPolarHBondContact O-CB 3.39Å; S104-D108 PolarHBondContact O-N 2.92Å
105V86.4Confident91.3Very high109 Ų10956.6 Ų56.666%0.66131%0.306SS*.Hα-helixtrans-53.3-25.3177.4175.50000113.4A101 V102 V103 T192A101-V105 WeakPolarHBondContact O-CG2 3.49Å; A101-V105 PolarHBondContact O-N 3Å; V102-V105 PolarHBondContact O-N 3.34Å; V103-V105 PolarHBondContact O-N 3.37Å; V105-T192 HydrophobicContact CG2-CG2 4.03Å
106I84.3Confident91.3Very high118 Ų11855.1 Ų55.161%0.60530%0.296SS*.Hα-helixtrans-98.6-41.7-179.7-59.8169.3000112.8V102 V103 S104V102-I106 HydrophobicContact CG1-CD1 4.14Å; V102-I106 WeakPolarHBondContact O-CG1 3.26Å; V102-I106 PolarHBondContact O-N 3.39Å; V103-I106 PolarHBondContact O-N 3.39Å; V103-I106 VanDerWaalsContact O-N 3.08Å; S104-I106 PolarHBondContact O-N 2.94Å
107I79.7Confident91.3Very high79 Ų7958.8 Ų58.841%0.40531%0.312SS..Hα-helixtrans-93.2-15.2-168.8-63.2-167.8000112.6V103 S104 D109 Q110V103-I107 HydrophobicContact CG1-CB 4.22Å; V103-I107 HydrophobicContact CG1-CD1 3.43Å; V103-I107 VanDerWaalsContact CG1-CD1 3.43Å; V103-I107 HydrophobicContact CG1-CG1 3.82Å; V103-I107 WeakPolarHBondContact O-CB 3.34Å; V103-I107 PolarHBondContact O-N 3.47Å; S104-I107 PolarHBondContact O-N 2.93Å; I107-D109 PolarHBondContact O-N 3.46Å; I107-Q110 HydrophobicContact CG2-CB 4.25Å; I107-Q110 WeakPolarHBondContact O-CB 3.47Å; I107-Q110 PolarHBondContact O-N 3.37Å
108D72.6Confident91.3Very high21 Ų2158.8 Ų58.811%0.11231%0.312CS..Hα-helixtrans-52.8-34.2-176.7-70.2-25000112.5S104 Q110 F111 F112 I188S104-D108 VanDerWaalsContact C-CG 3.46Å; S104-D108 WeakPolarHBondContact O-CB 3.39Å; S104-D108 PolarHBondContact O-N 2.92Å; D108-Q110 PolarHBondContact O-N 2.92Å; D108-F111 PolarHBondContact O-N 3.48Å; D108-F111 VanDerWaalsContact O-N 3.15Å; D108-F112 HydrophobicContact CB-CE2 4.1Å; D108-F112 WeakPolarHBondContact O-CD2 3.19Å; D108-F112 PolarHBondContact O-N 3.12Å; D108-I188 HydrophobicContact CB-CD1 4.46Å; D108-I188 VanDerWaalsContact CG-CG2 3.43Å; D108-I188 WeakPolarHBondContact OD2-CG2 2.99Å
109D83.3Confident91.4Very high115 Ų11555.7 Ų55.762%0.61530%0.296SS*.Hα-helixtrans-54.9-36.6174.3-70.9-21.9000113.5I107 F112 I113I107-D109 PolarHBondContact O-N 3.46Å; D109-F112 PolarHBondContact O-N 3.2Å; D109-I113 WeakPolarHBondContact O-CD1 3.45Å; D109-I113 VanDerWaalsContact O-CG1 3.26Å; D109-I113 WeakPolarHBondContact O-CG1 3.36Å; D109-I113 PolarHBondContact O-N 3.02Å
110Q89Confident91.5Very high115 Ų11555.1 Ų55.154%0.53729%0.288SS..Hα-helixtrans-69.4-38.2-179.2-170.5175.110.300112I107 D108 F112 N114I107-Q110 HydrophobicContact CG2-CB 4.25Å; I107-Q110 WeakPolarHBondContact O-CB 3.47Å; I107-Q110 PolarHBondContact O-N 3.37Å; D108-Q110 PolarHBondContact O-N 2.92Å; Q110-F112 VanDerWaalsContact C-N 3.32Å; Q110-F112 PolarHBondContact O-N 2.84Å; Q110-N114 WeakPolarHBondContact O-CB 3.31Å; Q110-N114 PolarHBondContact O-N 3.23Å; Q110-N114 PolarHBondContact O-ND2 3.45Å; Q110-N114 PolarHBondContact O-OD1 3.14Å
111F90.6Very high91.5Very high13 Ų1356.6 Ų56.66%0.05730%0.298CS..Hα-helixtrans-59.1-47.9174.1163.5-92.7000110.1L39 T49 P51 D108 N114 A115 V184L39-F111 HydrophobicContact CD2-CE2 4.02Å; L39-F111 HydrophobicContact CD2-CZ 4.19Å; T49-F111 HydrophobicContact CG2-CD2 3.59Å; T49-F111 HydrophobicContact CG2-CE2 4.01Å; T49-F111 HydrophobicContact CG2-CG 4.46Å; T49-F111 WeakPolarHBondContact O-CE2 3.4Å; P51-F111 HydrophobicContact CG-CD1 4.23Å; P51-F111 HydrophobicContact CG-CD2 3.75Å; P51-F111 HydrophobicContact CG-CE1 4.4Å; P51-F111 HydrophobicContact CG-CE2 3.95Å; P51-F111 HydrophobicContact CG-CG 3.93Å; P51-F111 HydrophobicContact CG-CZ 4.28Å; D108-F111 PolarHBondContact O-N 3.48Å; D108-F111 VanDerWaalsContact O-N 3.15Å; F111-N114 PolarHBondContact O-N 2.89Å; F111-A115 HydrophobicContact CE1-CB 4.32Å; F111-A115 HydrophobicContact CE2-CB 4.4Å; F111-A115 HydrophobicContact CZ-CB 4.09Å; F111-A115 VanDerWaalsContact O-CB 3.26Å; F111-A115 WeakPolarHBondContact O-CB 3.43Å; F111-A115 PolarHBondContact O-N 3.46Å; F111-V184 HydrophobicContact CD1-CG1 3.91Å; F111-V184 HydrophobicContact CE1-CB 3.94Å; F111-V184 HydrophobicContact CE1-CG1 3.41Å; F111-V184 VanDerWaalsContact CE1-CG1 3.41Å; F111-V184 HydrophobicContact CE1-CG2 4.02Å; F111-V184 HydrophobicContact CZ-CB 4.35Å; F111-V184 HydrophobicContact CZ-CG1 3.9Å; F111-V184 HydrophobicContact CZ-CG2 3.93Å
112F94.3Very high91.7Very high20 Ų2056.5 Ų56.59%0.08830%0.297CS..Hα-helixtrans-65.8-41-176.5-67-62.2000112.5D108 D109 Q110 K116 Y177 V184 Q185 I188D108-F112 HydrophobicContact CB-CE2 4.1Å; D108-F112 WeakPolarHBondContact O-CD2 3.19Å; D108-F112 PolarHBondContact O-N 3.12Å; D109-F112 PolarHBondContact O-N 3.2Å; Q110-F112 VanDerWaalsContact C-N 3.32Å; Q110-F112 PolarHBondContact O-N 2.84Å; F112-K116 WeakPolarHBondContact O-CB 3.49Å; F112-K116 PolarHBondContact O-N 3.44Å; F112-Y177 WeakPolarHBondContact O-CE2 3.32Å; F112-V184 HydrophobicContact CE1-CB 4.29Å; F112-V184 HydrophobicContact CE1-CG1 4.18Å; F112-V184 HydrophobicContact CZ-CG1 4.28Å; F112-Q185 HydrophobicContact CZ-CB 4.07Å; F112-I188 HydrophobicContact CZ-CD1 4.19Å
113I94.2Very high91.9Very high108 Ų10853.3 Ų53.355%0.55428%0.277SS*.Hα-helixtrans-60-51.2174.4-68.6164.6000110.4D109 A115 K116 E117D109-I113 WeakPolarHBondContact O-CD1 3.45Å; D109-I113 VanDerWaalsContact O-CG1 3.26Å; D109-I113 WeakPolarHBondContact O-CG1 3.36Å; D109-I113 PolarHBondContact O-N 3.02Å; I113-A115 PolarHBondContact O-N 3.35Å; I113-K116 PolarHBondContact O-N 2.83Å; I113-E117 PolarHBondContact O-N 2.96Å
114N94.7Very high92.1Very high60 Ų6056.7 Ų56.732%0.32129%0.288SS..Hα-helixtrans-64-43-178.4-69.2-7.5000111.8T49 Q110 F111 K116 E117 A118T49-N114 HydrophobicContact CG2-CB 3.65Å; Q110-N114 WeakPolarHBondContact O-CB 3.31Å; Q110-N114 PolarHBondContact O-N 3.23Å; Q110-N114 PolarHBondContact O-ND2 3.45Å; Q110-N114 PolarHBondContact O-OD1 3.14Å; F111-N114 PolarHBondContact O-N 2.89Å; N114-K116 VanDerWaalsContact C-N 3.33Å; N114-K116 PolarHBondContact O-N 3.41Å; N114-E117 PolarHBondContact O-N 2.85Å; N114-A118 WeakPolarHBondContact O-CB 3.32Å; N114-A118 PolarHBondContact O-N 3.25Å
115A96.3Very high92.3Very high3 Ų361.1 Ų61.13%0.02531%0.305CS..Hα-helixtrans-61.9-41.9177.300000111.2F111 I113 A118 L119F111-A115 HydrophobicContact CE1-CB 4.32Å; F111-A115 HydrophobicContact CE2-CB 4.4Å; F111-A115 HydrophobicContact CZ-CB 4.09Å; F111-A115 VanDerWaalsContact O-CB 3.26Å; F111-A115 WeakPolarHBondContact O-CB 3.43Å; F111-A115 PolarHBondContact O-N 3.46Å; I113-A115 PolarHBondContact O-N 3.35Å; A115-A118 PolarHBondContact O-N 3.5Å; A115-L119 WeakPolarHBondContact O-CB 3.34Å; A115-L119 VanDerWaalsContact O-CG 3.25Å; A115-L119 WeakPolarHBondContact O-CG 3.29Å; A115-L119 PolarHBondContact O-N 3.31Å
116K97.2Very high92.8Very high68 Ų6856.6 Ų56.630%0.29628%0.276SS..Hα-helixtrans-64.6-44.6176.6-167.7164.6-174.4154.10112.2F112 I113 N114 N120 V148 N149 Y177F112-K116 WeakPolarHBondContact O-CB 3.49Å; F112-K116 PolarHBondContact O-N 3.44Å; I113-K116 PolarHBondContact O-N 2.83Å; N114-K116 VanDerWaalsContact C-N 3.33Å; N114-K116 PolarHBondContact O-N 3.41Å; K116-N120 WeakPolarHBondContact O-CB 3.19Å; K116-N120 PolarHBondContact O-N 3.31Å; K116-N120 PolarHBondContact O-ND2 3.08Å; K116-V148 HydrophobicContact CG-CG1 4.37Å; K116-N149 WeakPolarHBondContact CE-OD1 3.24Å; K116-N149 PolarHBondContact NZ-OD1 3.49Å; K116-Y177 HydrophobicContact CB-CD2 3.67Å; K116-Y177 HydrophobicContact CB-CE2 3.55Å; K116-Y177 HydrophobicContact CB-CG 4.4Å; K116-Y177 HydrophobicContact CD-CD1 4.06Å; K116-Y177 HydrophobicContact CD-CD2 4.21Å; K116-Y177 HydrophobicContact CD-CE1 3.94Å; K116-Y177 HydrophobicContact CD-CE2 4.08Å; K116-Y177 HydrophobicContact CD-CG 4.19Å; K116-Y177 HydrophobicContact CG-CD2 3.94Å; K116-Y177 HydrophobicContact CG-CE2 4.09Å; K116-Y177 HydrophobicContact CG-CG 4.17Å
117E97.3Very high93.5Very high122 Ų12256.6 Ų56.657%0.5727%0.269SS*.Hα-helixtrans-64.2-43.9177.5-176.6174-17900111.5I113 N114 N120 T121I113-E117 PolarHBondContact O-N 2.96Å; N114-E117 PolarHBondContact O-N 2.85Å; E117-N120 PolarHBondContact O-N 3.49Å; E117-T121 WeakPolarHBondContact O-CB 3.31Å; E117-T121 PolarHBondContact O-N 2.74Å; E117-T121 PolarHBondContact O-OG1 2.91Å
118A97.7Very high94.3Very high0 Ų059.6 Ų59.60%028%0.281CS..Hα-helixtrans-58.7-51.3176.200000111I45 Q47 N114 A115 N120 T121 T122I45-A118 CarbonylContact O-C 3.56Å; Q47-A118 HydrophobicContact CB-CB 4.08Å; Q47-A118 HydrophobicContact CG-CB 3.85Å; N114-A118 WeakPolarHBondContact O-CB 3.32Å; N114-A118 PolarHBondContact O-N 3.25Å; A115-A118 PolarHBondContact O-N 3.5Å; A118-N120 PolarHBondContact O-N 2.88Å; A118-T121 PolarHBondContact O-N 3.38Å; A118-T121 VanDerWaalsContact O-N 3.1Å; A118-T122 WeakPolarHBondContact O-CB 3.34Å; A118-T122 WeakPolarHBondContact O-CG2 3.4Å; A118-T122 PolarHBondContact O-N 3.18Å; A118-T122 PolarHBondContact O-OG1 2.77Å
119L98Very high95.4Very high0 Ų062.9 Ų62.90%030%0.295CS..Hα-helixtrans-58.4-44.1177-72.7172.9000112I45 I46 A115 T121 T122 L123 F136 L139 V148 Y177 L180I45-L119 HydrophobicContact CB-CD2 4.28Å; I45-L119 HydrophobicContact CD1-CD2 3.94Å; I45-L119 HydrophobicContact CG1-CD2 4.07Å; I46-L119 HydrophobicContact CG2-CD2 4.25Å; I46-L119 HydrophobicContact CG2-CG 4.46Å; A115-L119 WeakPolarHBondContact O-CB 3.34Å; A115-L119 VanDerWaalsContact O-CG 3.25Å; A115-L119 WeakPolarHBondContact O-CG 3.29Å; A115-L119 PolarHBondContact O-N 3.31Å; L119-T121 VanDerWaalsContact C-N 3.28Å; L119-T121 PolarHBondContact O-N 3.48Å; L119-T122 PolarHBondContact O-OG1 2.87Å; L119-L123 VanDerWaalsContact O-CB 3.24Å; L119-L123 WeakPolarHBondContact O-CB 3.48Å; L119-L123 PolarHBondContact O-N 3.45Å; L119-F136 HydrophobicContact CD2-CE1 3.91Å; L119-F136 HydrophobicContact CD2-CZ 3.92Å; L119-L139 HydrophobicContact CD2-CD2 4.24Å; L119-V148 HydrophobicContact CB-CB 4.49Å; L119-V148 HydrophobicContact CB-CG1 3.9Å; L119-V148 HydrophobicContact CB-CG2 3.83Å; L119-V148 HydrophobicContact CD1-CG1 4.46Å; L119-Y177 HydrophobicContact CD1-CD2 4.48Å; L119-L180 HydrophobicContact CD1-CD2 4.46Å
120N97.6Very high96.1Very high56 Ų5663.5 Ų63.530%0.29930%0.298SS..Hα-helixtrans-63.8-35.2177-80.8-59.5000112.8K116 E117 A118K116-N120 WeakPolarHBondContact O-CB 3.19Å; K116-N120 PolarHBondContact O-N 3.31Å; K116-N120 PolarHBondContact O-ND2 3.08Å; E117-N120 PolarHBondContact O-N 3.49Å; A118-N120 PolarHBondContact O-N 2.88Å
121T96.8Very high96.5Very high47 Ų4763.9 Ų63.929%0.28830%0.3SS..Hα-helixtrans-74.2-46.8180-61.80000110.8E117 A118 L119 K124 Y125E117-T121 WeakPolarHBondContact O-CB 3.31Å; E117-T121 PolarHBondContact O-N 2.74Å; E117-T121 PolarHBondContact O-OG1 2.91Å; A118-T121 PolarHBondContact O-N 3.38Å; A118-T121 VanDerWaalsContact O-N 3.1Å; L119-T121 VanDerWaalsContact C-N 3.28Å; L119-T121 PolarHBondContact O-N 3.48Å; T121-K124 PolarHBondContact O-N 2.94Å; T121-Y125 VanDerWaalsContact O-CD2 3.29Å; T121-Y125 WeakPolarHBondContact O-CD2 3.25Å
122T97.8Very high96.8Very high1 Ų165 Ų651%0.00630%0.304CS..Hα-helixtrans-74.2-30.8-175.656.20000112.3I45 Q47 A118 L119 K124 Y125 Y126 Y132 F136I45-T122 PolarHBondContact O-OG1 3.47Å; Q47-T122 HydrophobicContact CG-CG2 4.3Å; A118-T122 WeakPolarHBondContact O-CB 3.34Å; A118-T122 WeakPolarHBondContact O-CG2 3.4Å; A118-T122 PolarHBondContact O-N 3.18Å; A118-T122 PolarHBondContact O-OG1 2.77Å; L119-T122 PolarHBondContact O-OG1 2.87Å; T122-K124 PolarHBondContact O-N 3.29Å; T122-Y125 CarbonylContact O-C 3.47Å; T122-Y125 PolarHBondContact O-N 3.08Å; T122-Y126 PolarHBondContact O-N 3.41Å; T122-Y132 HydrophobicContact CG2-CD2 4.24Å; T122-Y132 HydrophobicContact CG2-CE2 3.88Å; T122-F136 WeakPolarHBondContact OG1-CE2 3.46Å
123L97.7Very high97Very high6 Ų664.3 Ų64.33%0.03130%0.303CS..Hα-helixtrans-55.2-36.6174.9-17378.4000112.5L119 Y125 Y126 F136 V148 D153 F154 L159L119-L123 VanDerWaalsContact O-CB 3.24Å; L119-L123 WeakPolarHBondContact O-CB 3.48Å; L119-L123 PolarHBondContact O-N 3.45Å; L123-Y125 PolarHBondContact O-N 3.07Å; L123-Y126 WeakPolarHBondContact O-CB 3.36Å; L123-Y126 PolarHBondContact O-N 2.83Å; L123-Y126 VanDerWaalsContact O-N 3.09Å; L123-F136 HydrophobicContact CB-CE2 4.31Å; L123-F136 HydrophobicContact CB-CZ 3.93Å; L123-F136 HydrophobicContact CD1-CD1 4.33Å; L123-F136 HydrophobicContact CD1-CE1 3.93Å; L123-F136 HydrophobicContact CD1-CE2 4.41Å; L123-F136 HydrophobicContact CD1-CZ 3.98Å; L123-V148 HydrophobicContact CB-CG2 4.32Å; L123-V148 HydrophobicContact CD2-CG2 4.16Å; L123-D153 HydrophobicContact CD2-CB 3.58Å; L123-F154 HydrophobicContact CD1-CD1 4.45Å; L123-F154 HydrophobicContact CD1-CE1 3.81Å; L123-F154 HydrophobicContact CD1-CE2 3.9Å; L123-F154 HydrophobicContact CD1-CZ 3.49Å; L123-F154 VanDerWaalsContact CD1-CZ 3.49Å; L123-L159 WeakPolarHBondContact O-CD1 3.32Å
124K96.4Very high97.2Very high126 Ų12664.3 Ų64.355%0.54830%0.303SS..THydrogen-bonded Turntrans-60-28.3178.9-63.6173.9-174.6171.80112.5T121 T122T121-K124 PolarHBondContact O-N 2.94Å; T122-K124 PolarHBondContact O-N 3.29Å
125Y96.7Very high97.3Very high96 Ų9662.5 Ų62.538%0.37629%0.293SS..THydrogen-bonded Turntrans-102.513.3-178-58.6-77.9000112.5T121 T122 L123 Y127 E128 K129T121-Y125 VanDerWaalsContact O-CD2 3.29Å; T121-Y125 WeakPolarHBondContact O-CD2 3.25Å; T122-Y125 CarbonylContact O-C 3.47Å; T122-Y125 PolarHBondContact O-N 3.08Å; L123-Y125 PolarHBondContact O-N 3.07Å; Y125-Y127 VanDerWaalsContact C-N 3.33Å; Y125-Y127 PolarHBondContact O-N 3.39Å; Y125-E128 HydrophobicContact CD1-CB 4.42Å; Y125-E128 VanDerWaalsContact CD1-OE2 3.24Å; Y125-E128 WeakPolarHBondContact CD1-OE2 3.25Å; Y125-E128 PolarHBondContact O-N 3.44Å; Y125-K129 PolarHBondContact O-N 3.16Å
126Y97.7Very high97.4Very high15 Ų1562.3 Ų62.36%0.05929%0.292CS..THydrogen-bonded Turntrans-52.6-46.1-176.3172.7-82.9000112.8T122 L123 F136 D137 F154 P162T122-Y126 PolarHBondContact O-N 3.41Å; L123-Y126 WeakPolarHBondContact O-CB 3.36Å; L123-Y126 PolarHBondContact O-N 2.83Å; L123-Y126 VanDerWaalsContact O-N 3.09Å; Y126-F136 HydrophobicContact CD2-CB 3.6Å; Y126-F136 AromaticContact CD2-CD2 3.97Å; Y126-F136 HydrophobicContact CD2-CD2 3.97Å; Y126-F136 AromaticContact CD2-CG 3.95Å; Y126-F136 HydrophobicContact CD2-CG 3.95Å; Y126-F136 HydrophobicContact CE2-CB 3.56Å; Y126-F136 HydrophobicContact CE2-CG 4.39Å; Y126-D137 VanDerWaalsContact OH-CG 3.24Å; Y126-D137 PolarHBondContact OH-OD1 3.1Å; Y126-D137 PolarHBondContact OH-OD2 2.73Å; Y126-F154 HydrophobicContact CD1-CE1 4.06Å; Y126-F154 HydrophobicContact CD2-CE1 4.24Å; Y126-F154 HydrophobicContact CD2-CZ 4.23Å; Y126-F154 HydrophobicContact CE1-CE1 4.5Å; Y126-F154 HydrophobicContact CE2-CZ 4.46Å; Y126-F154 AromaticContact CG-CE1 3.95Å; Y126-F154 HydrophobicContact CG-CE1 3.95Å; Y126-F154 HydrophobicContact CG-CZ 4.4Å; Y126-P162 HydrophobicContact CE1-CB 3.94Å; Y126-P162 HydrophobicContact CE1-CG 4.41Å; Y126-P162 HydrophobicContact CE2-CB 4.46Å; Y126-P162 HydrophobicContact CE2-CG 4.37Å; Y126-P162 WeakPolarHBondContact OH-CB 3.32Å
127Y97.3Very high97.5Very high117 Ų11761.2 Ų61.246%0.45929%0.289SS..THydrogen-bonded Turntrans-89-10.4177.6-70.4-73.3000113.8Y125 L159 L160Y125-Y127 VanDerWaalsContact C-N 3.33Å; Y125-Y127 PolarHBondContact O-N 3.39Å; Y127-L159 HydrophobicContact CD2-CB 4.27Å; Y127-L159 HydrophobicContact CD2-CD1 4.27Å; Y127-L159 HydrophobicContact CD2-CD2 4.01Å; Y127-L159 HydrophobicContact CD2-CG 4.4Å; Y127-L159 HydrophobicContact CE2-CB 4.1Å; Y127-L160 HydrophobicContact CE2-CB 4.5Å; Y127-L160 WeakPolarHBondContact CE2-O 3Å; Y127-L160 PolarHBondContact OH-O 3.31Å
128E96.5Very high97.5Very high143 Ų14359.3 Ų59.367%0.66828%0.279SS*.THydrogen-bonded Turntrans-90.1-29.2-178.9-64.8-176.6-161.200112Y125Y125-E128 HydrophobicContact CD1-CB 4.42Å; Y125-E128 VanDerWaalsContact CD1-OE2 3.24Å; Y125-E128 WeakPolarHBondContact CD1-OE2 3.25Å; Y125-E128 PolarHBondContact O-N 3.44Å
129K96.7Very high97.5Very high90 Ų9059.3 Ų59.339%0.39128%0.279SS..  trans-125.2108.5-179.4-67.4-174.9179.8-174.20110.2Y125 E131 Y132 G133Y125-K129 PolarHBondContact O-N 3.16Å; K129-E131 PolarHBondContact O-N 3.04Å; K129-Y132 HydrophobicContact CB-CD2 3.99Å; K129-Y132 HydrophobicContact CB-CE2 4.46Å; K129-Y132 HydrophobicContact CB-CG 4.07Å; K129-Y132 HydrophobicContact CD-CD2 3.85Å; K129-Y132 HydrophobicContact CD-CE1 4.36Å; K129-Y132 HydrophobicContact CD-CE2 3.46Å; K129-Y132 VanDerWaalsContact CD-CE2 3.46Å; K129-Y132 HydrophobicContact CD-CG 4.43Å; K129-Y132 HydrophobicContact CG-CD2 4.47Å; K129-Y132 PolarHBondContact NZ-OH 3.14Å; K129-Y132 PolarHBondContact O-N 3.48Å; K129-G133 PolarHBondContact O-N 3.46Å; K129-G133 VanDerWaalsContact O-N 3.1Å
130N97.1Very high97.5Very high128 Ų12859.3 Ų59.368%0.68428%0.279SS*.Hα-helixtrans-51.4-42.5179.9-65.9-8.9000112.2Y132 G133 D134N130-Y132 VanDerWaalsContact C-N 3.27Å; N130-Y132 PolarHBondContact O-N 3.2Å; N130-G133 WeakPolarHBondContact O-CA 3.39Å; N130-G133 PolarHBondContact O-N 2.81Å; N130-G133 VanDerWaalsContact O-N 3.09Å; N130-D134 VanDerWaalsContact O-CG 3.22Å; N130-D134 PolarHBondContact O-N 3.49Å
131E97.3Very high97.5Very high123 Ų12362 Ų6258%0.57529%0.291SS*.Hα-helixtrans-60.7-34.5-180-56.4174.7132.700113.1L44 K129 E135L44-E131 HydrophobicContact CD1-CB 3.73Å; L44-E131 HydrophobicContact CD1-CG 4.48Å; K129-E131 PolarHBondContact O-N 3.04Å; E131-E135 PolarHBondContact O-N 3.21Å
132Y97.8Very high97.5Very high36 Ų3662.4 Ų62.414%0.14129%0.294CS..Hα-helixtrans-75-41.8174.8-65.7-5.6000110.8L44 I45 T122 K129 N130 D134 E135 F136L44-Y132 HydrophobicContact CB-CD1 4.07Å; L44-Y132 HydrophobicContact CB-CE1 4.02Å; I45-Y132 HydrophobicContact CG2-CD1 4.38Å; I45-Y132 HydrophobicContact CG2-CG 4.42Å; T122-Y132 HydrophobicContact CG2-CD2 4.24Å; T122-Y132 HydrophobicContact CG2-CE2 3.88Å; K129-Y132 HydrophobicContact CB-CD2 3.99Å; K129-Y132 HydrophobicContact CB-CE2 4.46Å; K129-Y132 HydrophobicContact CB-CG 4.07Å; K129-Y132 HydrophobicContact CD-CD2 3.85Å; K129-Y132 HydrophobicContact CD-CE1 4.36Å; K129-Y132 HydrophobicContact CD-CE2 3.46Å; K129-Y132 VanDerWaalsContact CD-CE2 3.46Å; K129-Y132 HydrophobicContact CD-CG 4.43Å; K129-Y132 HydrophobicContact CG-CD2 4.47Å; K129-Y132 PolarHBondContact NZ-OH 3.14Å; K129-Y132 PolarHBondContact O-N 3.48Å; N130-Y132 VanDerWaalsContact C-N 3.27Å; N130-Y132 PolarHBondContact O-N 3.2Å; Y132-D134 VanDerWaalsContact C-N 3.32Å; Y132-D134 PolarHBondContact O-N 3.27Å; Y132-E135 PolarHBondContact O-N 2.85Å; Y132-F136 WeakPolarHBondContact O-CB 3.14Å; Y132-F136 VanDerWaalsContact O-CD2 3.31Å; Y132-F136 WeakPolarHBondContact O-CD2 3.41Å; Y132-F136 PolarHBondContact O-N 3.38Å
133G97.8Very high97.5Very high6 Ų663.6 Ų63.66%0.06230%0.299CS..Hα-helixtrans-54.3-48.3173.700000112K129 N130 F136 D137K129-G133 PolarHBondContact O-N 3.46Å; K129-G133 VanDerWaalsContact O-N 3.1Å; N130-G133 WeakPolarHBondContact O-CA 3.39Å; N130-G133 PolarHBondContact O-N 2.81Å; N130-G133 VanDerWaalsContact O-N 3.09Å; G133-F136 PolarHBondContact O-N 3.17Å; G133-D137 VanDerWaalsContact O-CB 3.32Å; G133-D137 WeakPolarHBondContact O-CB 3.33Å; G133-D137 VanDerWaalsContact O-CG 3.26Å; G133-D137 PolarHBondContact O-N 3.4Å
134D98.2Very high97.4Very high107 Ų10769.5 Ų69.557%0.57233%0.325SS*.Hα-helixtrans-62.2-46.1-179.5-67.6-23000112.3N130 Y132 D137 K138N130-D134 VanDerWaalsContact O-CG 3.22Å; N130-D134 PolarHBondContact O-N 3.49Å; Y132-D134 VanDerWaalsContact C-N 3.32Å; Y132-D134 PolarHBondContact O-N 3.27Å; D134-D137 PolarHBondContact O-N 2.98Å; D134-K138 WeakPolarHBondContact O-CB 3.38Å; D134-K138 PolarHBondContact O-N 3.1Å
135E98.3Very high97.5Very high22 Ų2263.5 Ų63.510%0.10330%0.298CS..Hα-helixtrans-69.3-38.7178-75.6-166.6179.700112.3Y42 K43 L44 I45 E131 Y132 K138 L139Y42-E135 VanDerWaalsContact CA-OE2 3.29Å; Y42-E135 WeakPolarHBondContact CA-OE2 3.41Å; K43-E135 PolarHBondContact N-OE2 3.14Å; L44-E135 WeakPolarHBondContact CA-OE2 3.39Å; L44-E135 WeakPolarHBondContact CB-OE1 3.31Å; L44-E135 WeakPolarHBondContact CB-OE2 3.49Å; L44-E135 VanDerWaalsContact CG-OE1 3.32Å; L44-E135 WeakPolarHBondContact CG-OE1 3.43Å; L44-E135 PolarHBondContact N-OE1 3.3Å; L44-E135 PolarHBondContact N-OE2 3.3Å; I45-E135 HydrophobicContact CD1-CB 4.08Å; I45-E135 HydrophobicContact CG1-CB 4.15Å; I45-E135 HydrophobicContact CG2-CB 3.72Å; I45-E135 PolarHBondContact N-OE2 3.35Å; E131-E135 PolarHBondContact O-N 3.21Å; Y132-E135 PolarHBondContact O-N 2.85Å; E135-K138 PolarHBondContact O-N 3.42Å; E135-L139 WeakPolarHBondContact O-CB 3.48Å; E135-L139 PolarHBondContact O-N 3.5Å
136F98.4Very high97.6Very high0 Ų059 Ų590%028%0.281CS..Hα-helixtrans-64.7-42.8173.3-93.7-70.5000111.5I45 L119 T122 L123 Y126 Y132 G133 K138 L139 H140I45-F136 HydrophobicContact CB-CD2 4.25Å; I45-F136 HydrophobicContact CB-CE2 3.94Å; I45-F136 HydrophobicContact CB-CZ 4.33Å; I45-F136 HydrophobicContact CD1-CD1 4.24Å; I45-F136 HydrophobicContact CD1-CD2 4.42Å; I45-F136 HydrophobicContact CD1-CE1 4.41Å; I45-F136 HydrophobicContact CD1-CG 4.23Å; I45-F136 HydrophobicContact CG2-CD2 3.56Å; I45-F136 HydrophobicContact CG2-CE2 3.65Å; I45-F136 HydrophobicContact CG2-CG 4.33Å; I45-F136 HydrophobicContact CG2-CZ 4.48Å; L119-F136 HydrophobicContact CD2-CE1 3.91Å; L119-F136 HydrophobicContact CD2-CZ 3.92Å; T122-F136 WeakPolarHBondContact OG1-CE2 3.46Å; L123-F136 HydrophobicContact CB-CE2 4.31Å; L123-F136 HydrophobicContact CB-CZ 3.93Å; L123-F136 HydrophobicContact CD1-CD1 4.33Å; L123-F136 HydrophobicContact CD1-CE1 3.93Å; L123-F136 HydrophobicContact CD1-CE2 4.41Å; L123-F136 HydrophobicContact CD1-CZ 3.98Å; Y126-F136 HydrophobicContact CD2-CB 3.6Å; Y126-F136 AromaticContact CD2-CD2 3.97Å; Y126-F136 HydrophobicContact CD2-CD2 3.97Å; Y126-F136 AromaticContact CD2-CG 3.95Å; Y126-F136 HydrophobicContact CD2-CG 3.95Å; Y126-F136 HydrophobicContact CE2-CB 3.56Å; Y126-F136 HydrophobicContact CE2-CG 4.39Å; Y132-F136 WeakPolarHBondContact O-CB 3.14Å; Y132-F136 VanDerWaalsContact O-CD2 3.31Å; Y132-F136 WeakPolarHBondContact O-CD2 3.41Å; Y132-F136 PolarHBondContact O-N 3.38Å; G133-F136 PolarHBondContact O-N 3.17Å; F136-K138 VanDerWaalsContact C-N 3.29Å; F136-K138 PolarHBondContact O-N 3.45Å; F136-L139 HydrophobicContact CD1-CD2 4.47Å; F136-L139 WeakPolarHBondContact O-CB 3.2Å; F136-L139 PolarHBondContact O-N 2.79Å; F136-L139 VanDerWaalsContact O-N 3.11Å; F136-H140 AromaticContact CD1-NE2 3.99Å; F136-H140 WeakPolarHBondContact O-CB 3.2Å; F136-H140 PolarHBondContact O-N 3.27Å; F136-H140 PolarHBondContact O-ND1 3.22Å; F136-H140 VanDerWaalsContact O-ND1 3.09Å
137D98.3Very high97.6Very high44 Ų4458.2 Ų58.224%0.23528%0.278CS..Hα-helixtrans-60.2-43.1177.3-80.3-4.5000111.4Y126 G133 D134 L139 H140 M141 S164Y126-D137 VanDerWaalsContact OH-CG 3.24Å; Y126-D137 PolarHBondContact OH-OD1 3.1Å; Y126-D137 PolarHBondContact OH-OD2 2.73Å; G133-D137 VanDerWaalsContact O-CB 3.32Å; G133-D137 WeakPolarHBondContact O-CB 3.33Å; G133-D137 VanDerWaalsContact O-CG 3.26Å; G133-D137 PolarHBondContact O-N 3.4Å; D134-D137 PolarHBondContact O-N 2.98Å; D137-L139 VanDerWaalsContact C-N 3.35Å; D137-H140 PolarHBondContact O-N 3.11Å; D137-H140 IonicContact OD1-ND1 2.64Å; D137-M141 HydrophobicContact CB-CE 4.29Å; D137-M141 WeakPolarHBondContact O-CB 3.49Å; D137-M141 VanDerWaalsContact O-CE 3.29Å; D137-M141 WeakPolarHBondContact O-CE 3.4Å; D137-M141 VanDerWaalsContact O-CG 3.32Å; D137-M141 WeakPolarHBondContact O-CG 3.35Å; D137-M141 PolarHBondContact O-N 2.76Å; D137-S164 WeakPolarHBondContact OD1-CB 3.06Å; D137-S164 PolarHBondContact OD1-OG 3.28Å
138K97.9Very high97.6Very high82 Ų8252.7 Ų52.736%0.35726%0.256SS..Hα-helixtrans-61.5-43.4173.3-166.6177.4-170.8-178.30111.9Q41 Y42 D134 E135 F136 M141 T142Q41-K138 HydrophobicContact CB-CD 4.36Å; Y42-K138 HydrophobicContact CE1-CB 4.26Å; Y42-K138 HydrophobicContact CE1-CD 4.4Å; Y42-K138 HydrophobicContact CE1-CG 4.16Å; D134-K138 WeakPolarHBondContact O-CB 3.38Å; D134-K138 PolarHBondContact O-N 3.1Å; E135-K138 PolarHBondContact O-N 3.42Å; F136-K138 VanDerWaalsContact C-N 3.29Å; F136-K138 PolarHBondContact O-N 3.45Å; K138-M141 PolarHBondContact O-N 2.88Å; K138-T142 VanDerWaalsContact O-CB 3.24Å; K138-T142 WeakPolarHBondContact O-CB 3.46Å; K138-T142 PolarHBondContact O-N 3.2Å; K138-T142 PolarHBondContact O-OG1 3.08Å
139L98.1Very high97.7Very high0 Ų048.9 Ų48.90%024%0.24CC..Hα-helixtrans-61.8-48.6177.8-171.871.2000111Y42 I45 L119 E135 F136 D137 M141 T142 F143 C176 L180Y42-L139 HydrophobicContact CD1-CB 3.92Å; Y42-L139 HydrophobicContact CD1-CD1 3.84Å; Y42-L139 HydrophobicContact CD1-CG 4.45Å; Y42-L139 HydrophobicContact CD2-CD1 4.1Å; Y42-L139 HydrophobicContact CE1-CB 3.78Å; Y42-L139 HydrophobicContact CE1-CD1 3.75Å; Y42-L139 HydrophobicContact CE1-CG 4.39Å; Y42-L139 HydrophobicContact CE2-CD1 4.01Å; Y42-L139 HydrophobicContact CG-CD1 4.02Å; I45-L139 HydrophobicContact CD1-CB 4.32Å; I45-L139 HydrophobicContact CD1-CD2 3.83Å; L119-L139 HydrophobicContact CD2-CD2 4.24Å; E135-L139 WeakPolarHBondContact O-CB 3.48Å; E135-L139 PolarHBondContact O-N 3.5Å; F136-L139 HydrophobicContact CD1-CD2 4.47Å; F136-L139 WeakPolarHBondContact O-CB 3.2Å; F136-L139 PolarHBondContact O-N 2.79Å; F136-L139 VanDerWaalsContact O-N 3.11Å; D137-L139 VanDerWaalsContact C-N 3.35Å; L139-M141 VanDerWaalsContact C-N 3.35Å; L139-M141 PolarHBondContact O-N 2.76Å; L139-T142 PolarHBondContact O-N 2.77Å; L139-F143 HydrophobicContact CD1-CD2 3.62Å; L139-F143 HydrophobicContact CD1-CE2 3.86Å; L139-F143 HydrophobicContact CG-CD2 4.45Å; L139-F143 PolarHBondContact O-N 3.48Å; L139-C176 HydrophobicContact CD2-CB 3.47Å; L139-C176 VanDerWaalsContact CD2-CB 3.47Å; L139-C176 HydrophobicContact CG-CB 3.96Å; L139-L180 HydrophobicContact CD1-CD1 4.32Å
140H98.1Very high97.7Very high0 Ų046.1 Ų46.10%023%0.232CC..Hα-helixtrans-56.9-46.2177.5-62.4145.4000111.9F136 D137 F144 C145 G147 F154 S164 C176F136-H140 AromaticContact CD1-NE2 3.99Å; F136-H140 WeakPolarHBondContact O-CB 3.2Å; F136-H140 PolarHBondContact O-N 3.27Å; F136-H140 PolarHBondContact O-ND1 3.22Å; F136-H140 VanDerWaalsContact O-ND1 3.09Å; D137-H140 PolarHBondContact O-N 3.11Å; D137-H140 IonicContact OD1-ND1 2.64Å; H140-F144 VanDerWaalsContact O-CA 3.26Å; H140-F144 WeakPolarHBondContact O-CA 3.04Å; H140-F144 PolarHBondContact O-N 2.95Å; H140-C145 WeakPolarHBondContact CA-O 2.9Å; H140-C145 WeakPolarHBondContact CB-O 3.29Å; H140-C145 PolarHBondContact CD2-O 3.46Å; H140-C145 PolarHBondContact O-N 2.85Å; H140-G147 PolarHBondContact NE2-N 3.4Å; H140-F154 AromaticContact CE1-CZ 3.88Å; H140-S164 PolarHBondContact ND1-OG 3.45Å; H140-C176 PolarHBondContact CD2-SG 2.64Å
141M96.8Very high97.7Very high112 Ų11244.4 Ų44.455%0.55222%0.217SC*.Hα-helixtrans-74.4-32-178.5-68.9-175.1-7000113.2D137 K138 L139D137-M141 HydrophobicContact CB-CE 4.29Å; D137-M141 WeakPolarHBondContact O-CB 3.49Å; D137-M141 VanDerWaalsContact O-CE 3.29Å; D137-M141 WeakPolarHBondContact O-CE 3.4Å; D137-M141 VanDerWaalsContact O-CG 3.32Å; D137-M141 WeakPolarHBondContact O-CG 3.35Å; D137-M141 PolarHBondContact O-N 2.76Å; K138-M141 PolarHBondContact O-N 2.88Å; L139-M141 VanDerWaalsContact C-N 3.35Å; L139-M141 PolarHBondContact O-N 2.76Å
142T96.6Very high97.6Very high57 Ų5740.5 Ų40.535%0.3521%0.206SC..Hα-helixtrans-77.1-39-178.5-57.10000111.8Y42 K138 L139Y42-T142 WeakPolarHBondContact OH-CB 3.5Å; Y42-T142 WeakPolarHBondContact OH-CG2 3.39Å; Y42-T142 PolarHBondContact OH-OG1 2.88Å; K138-T142 VanDerWaalsContact O-CB 3.24Å; K138-T142 WeakPolarHBondContact O-CB 3.46Å; K138-T142 PolarHBondContact O-N 3.2Å; K138-T142 PolarHBondContact O-OG1 3.08Å; L139-T142 PolarHBondContact O-N 2.77Å
143F97Very high97.6Very high25 Ų2539.8 Ų39.811%0.1120%0.204CC..Hα-helixtrans-108.12.6-174.4-73.2-79.9000114.4H38 Y42 L139 C145 E179 L180 F183H38-F143 AromaticContact CE1-CE2 3.89Å; H38-F143 AromaticContact CE1-CZ 3.65Å; Y42-F143 AromaticContact CE2-CE2 3.94Å; Y42-F143 HydrophobicContact CE2-CE2 3.94Å; L139-F143 HydrophobicContact CD1-CD2 3.62Å; L139-F143 HydrophobicContact CD1-CE2 3.86Å; L139-F143 HydrophobicContact CG-CD2 4.45Å; L139-F143 PolarHBondContact O-N 3.48Å; F143-C145 HydrophobicContact CB-CB 4.37Å; F143-C145 PolarHBondContact O-N 3.48Å; F143-E179 HydrophobicContact CB-CB 3.83Å; F143-E179 HydrophobicContact CB-CG 4.28Å; F143-E179 HydrophobicContact CD1-CB 3.89Å; F143-E179 HydrophobicContact CG-CB 4.1Å; F143-L180 HydrophobicContact CE2-CD1 4.24Å; F143-L180 HydrophobicContact CZ-CD1 4.3Å; F143-F183 HydrophobicContact CE1-CB 3.76Å; F143-F183 HydrophobicContact CE1-CD2 4.24Å; F143-F183 HydrophobicContact CE1-CG 4.09Å; F143-F183 HydrophobicContact CZ-CB 3.97Å; F143-F183 HydrophobicContact CZ-CD1 4.39Å; F143-F183 HydrophobicContact CZ-CD2 4.18Å; F143-F183 AromaticContact CZ-CG 3.92Å; F143-F183 HydrophobicContact CZ-CG 3.92Å
144F97Very high97.6Very high131 Ų13139.5 Ų39.558%0.57520%0.201SC*.THydrogen-bonded Turntrans52.544.4-178.8-53.3-85.1000112.3H140 Y172H140-F144 VanDerWaalsContact O-CA 3.26Å; H140-F144 WeakPolarHBondContact O-CA 3.04Å; H140-F144 PolarHBondContact O-N 2.95Å; F144-Y172 VanDerWaalsContact C-CG 3.43Å; F144-Y172 HydrophobicContact CB-CD1 4.08Å; F144-Y172 HydrophobicContact CB-CE1 3.84Å; F144-Y172 AromaticContact CD1-CE1 3.91Å; F144-Y172 HydrophobicContact CD1-CE1 3.91Å; F144-Y172 AromaticContact CD1-CZ 3.75Å; F144-Y172 WeakPolarHBondContact CD1-OH 3.5Å; F144-Y172 HydrophobicContact CG-CE1 4.39Å; F144-Y172 WeakPolarHBondContact O-CB 3.26Å; F144-Y172 WeakPolarHBondContact O-CD1 3.36Å; F144-Y172 VanDerWaalsContact O-CG 3.24Å
145C97.9Very high97.3Very high0 Ų042.8 Ų42.80%021%0.206CC..  trans-123.4165.6-17465.50000111H140 F143 Y172 R174 C176 E179H140-C145 WeakPolarHBondContact CA-O 2.9Å; H140-C145 WeakPolarHBondContact CB-O 3.29Å; H140-C145 PolarHBondContact CD2-O 3.46Å; H140-C145 PolarHBondContact O-N 2.85Å; F143-C145 HydrophobicContact CB-CB 4.37Å; F143-C145 PolarHBondContact O-N 3.48Å; C145-Y172 WeakPolarHBondContact O-CD2 3.29Å; C145-R174 CarbonylContact C-O 3.59Å; C145-R174 WeakPolarHBondContact CA-O 3.34Å; C145-C176 VanDerWaalsContact C-SG 3.52Å; C145-C176 HydrophobicContact CB-CB 3.89Å; C145-C176 WeakPolarHBondContact CB-SG 3.29Å; C145-C176 WeakPolarHBondContact SG-CA 3.4Å; C145-C176 WeakPolarHBondContact SG-CB 3.5Å; C145-C176 CovalentContact SG-SG 2.03Å; C145-C176 PolarHBondContact SG-SG 2.99Å; C145-E179 HydrophobicContact CB-CG 4.06Å
146C98Very high97.1Very high0 Ų050.4 Ų50.40%024%0.239CC..  trans-144.5134.3174.5-167.10000112.7S150 Y151 C165 V171 Y172 R174C146-S150 CarbonylContact O-C 3.49Å; C146-S150 VanDerWaalsContact O-CA 3.32Å; C146-S150 WeakPolarHBondContact O-CA 3.44Å; C146-Y151 PolarHBondContact O-N 2.87Å; C146-Y151 VanDerWaalsContact O-N 3.16Å; C146-C165 WeakPolarHBondContact CA-SG 3.42Å; C146-C165 HydrophobicContact CB-CB 3.68Å; C146-C165 WeakPolarHBondContact CB-SG 3.14Å; C146-C165 WeakPolarHBondContact SG-CB 3.35Å; C146-C165 CovalentContact SG-SG 2.04Å; C146-C165 PolarHBondContact SG-SG 3.36Å; C146-V171 HydrophobicContact CB-CG1 4.42Å; C146-Y172 WeakPolarHBondContact CB-O 3.18Å; C146-R174 PolarHBondContact N-O 2.7Å
147G97.8Very high96.9Very high0 Ų052.3 Ų52.30%025%0.254CS..SBendtrans66.3-168.4-178.200000112.1H140 C176H140-G147 PolarHBondContact NE2-N 3.4Å; G147-C176 VanDerWaalsContact O-CB 3.26Å; G147-C176 WeakPolarHBondContact O-CB 3.43Å; G147-C176 PolarHBondContact O-N 3.4Å; G147-C176 PolarHBondContact O-SG 3.46Å
148V98.1Very high96.7Very high0 Ų059.6 Ų59.60%028%0.283CS..SBendtrans-82.3-59.6-178.1-174.90000110K116 L119 L123 D153 G175 C176 Y177K116-V148 HydrophobicContact CG-CG1 4.37Å; L119-V148 HydrophobicContact CB-CB 4.49Å; L119-V148 HydrophobicContact CB-CG1 3.9Å; L119-V148 HydrophobicContact CB-CG2 3.83Å; L119-V148 HydrophobicContact CD1-CG1 4.46Å; L123-V148 HydrophobicContact CB-CG2 4.32Å; L123-V148 HydrophobicContact CD2-CG2 4.16Å; V148-D153 WeakPolarHBondContact CA-OD2 3.46Å; V148-D153 PolarHBondContact N-OD2 3.41Å; V148-G175 CarbonylContact O-C 3.32Å; V148-G175 VanDerWaalsContact O-CA 3.27Å; V148-G175 WeakPolarHBondContact O-CA 3.29Å; V148-C176 PolarHBondContact O-N 3.44Å; V148-C176 VanDerWaalsContact O-N 3.16Å; V148-Y177 WeakPolarHBondContact O-CB 3.26Å; V148-Y177 PolarHBondContact O-N 3.16Å
149N98Very high96.6Very high63 Ų6357.6 Ų57.634%0.33728%0.276SS..SBendtrans-99.9-31.2176.7-47-81.6000111.3K116 D153 G175K116-N149 WeakPolarHBondContact CE-OD1 3.24Å; K116-N149 PolarHBondContact NZ-OD1 3.49Å; N149-D153 PolarHBondContact N-OD2 3.49Å; N149-G175 VanDerWaalsContact O-CA 3.23Å; N149-G175 WeakPolarHBondContact O-CA 3.49Å; N149-G175 PolarHBondContact O-N 3.02Å
150S97.7Very high96.4Very high32 Ų3264 Ų6422%0.22431%0.31CS..SBendtrans-168.3172.3173.767.30000111.4C146 A152 D153C146-S150 CarbonylContact O-C 3.49Å; C146-S150 VanDerWaalsContact O-CA 3.32Å; C146-S150 WeakPolarHBondContact O-CA 3.44Å; S150-A152 PolarHBondContact O-N 3.03Å; S150-A152 WeakPolarHBondContact OG-CB 3.42Å; S150-A152 PolarHBondContact OG-N 3.48Å; S150-D153 PolarHBondContact N-OD2 3.27Å; S150-D153 WeakPolarHBondContact O-CB 3.27Å; S150-D153 PolarHBondContact O-N 3.31Å
151Y96.2Very high96.3Very high92 Ų9265 Ų6536%0.36132%0.315SS..THydrogen-bonded Turntrans-55.1-20.917272.4-91.9000114.1C146 D153 F154 I161 V171C146-Y151 PolarHBondContact O-N 2.87Å; C146-Y151 VanDerWaalsContact O-N 3.16Å; Y151-D153 PolarHBondContact O-N 2.9Å; Y151-F154 PolarHBondContact O-N 3.45Å; Y151-I161 HydrophobicContact CD2-CD1 3.86Å; Y151-V171 HydrophobicContact CG-CG1 4.02Å
152A96.6Very high96.3Very high41 Ų4159.8 Ų59.834%0.33929%0.29SS..Hα-helixtrans-66.9-20.4178.300000112.8S150 F154 R155 K156S150-A152 PolarHBondContact O-N 3.03Å; S150-A152 WeakPolarHBondContact OG-CB 3.42Å; S150-A152 PolarHBondContact OG-N 3.48Å; A152-F154 VanDerWaalsContact C-N 3.28Å; A152-F154 PolarHBondContact O-N 3.33Å; A152-R155 WeakPolarHBondContact O-CB 3.41Å; A152-R155 PolarHBondContact O-N 3.17Å; A152-R155 VanDerWaalsContact O-N 3.07Å; A152-K156 PolarHBondContact O-N 3.26Å
153D97.4Very high96.3Very high21 Ų2167 Ų6711%0.11231%0.312CS..Hα-helixtrans-62.1-36.7178.5-65.5-34000111.8L123 V148 N149 S150 Y151 R155 K156 A157L123-D153 HydrophobicContact CD2-CB 3.58Å; V148-D153 WeakPolarHBondContact CA-OD2 3.46Å; V148-D153 PolarHBondContact N-OD2 3.41Å; N149-D153 PolarHBondContact N-OD2 3.49Å; S150-D153 PolarHBondContact N-OD2 3.27Å; S150-D153 WeakPolarHBondContact O-CB 3.27Å; S150-D153 PolarHBondContact O-N 3.31Å; Y151-D153 PolarHBondContact O-N 2.9Å; D153-R155 PolarHBondContact O-N 2.95Å; D153-K156 PolarHBondContact O-N 3.01Å; D153-A157 WeakPolarHBondContact O-CB 3.34Å; D153-A157 PolarHBondContact O-N 3.27Å
154F96.5Very high96.3Very high0 Ų066.4 Ų66.40%031%0.311CS..Hα-helixtrans-60.2-45.9172.4-79.3-79000111.3L123 Y126 H140 Y151 A152 K156 A157 K158 L159 I161 P162L123-F154 HydrophobicContact CD1-CD1 4.45Å; L123-F154 HydrophobicContact CD1-CE1 3.81Å; L123-F154 HydrophobicContact CD1-CE2 3.9Å; L123-F154 HydrophobicContact CD1-CZ 3.49Å; L123-F154 VanDerWaalsContact CD1-CZ 3.49Å; Y126-F154 HydrophobicContact CD1-CE1 4.06Å; Y126-F154 HydrophobicContact CD2-CE1 4.24Å; Y126-F154 HydrophobicContact CD2-CZ 4.23Å; Y126-F154 HydrophobicContact CE1-CE1 4.5Å; Y126-F154 HydrophobicContact CE2-CZ 4.46Å; Y126-F154 AromaticContact CG-CE1 3.95Å; Y126-F154 HydrophobicContact CG-CE1 3.95Å; Y126-F154 HydrophobicContact CG-CZ 4.4Å; H140-F154 AromaticContact CE1-CZ 3.88Å; Y151-F154 PolarHBondContact O-N 3.45Å; A152-F154 VanDerWaalsContact C-N 3.28Å; A152-F154 PolarHBondContact O-N 3.33Å; F154-K156 PolarHBondContact O-N 2.95Å; F154-A157 CarbonylContact O-C 2.94Å; F154-A157 PolarHBondContact O-N 3Å; F154-K158 PolarHBondContact O-N 3.45Å; F154-K158 VanDerWaalsContact O-N 3.12Å; F154-L159 CarbonylContact C-O 3.53Å; F154-L159 HydrophobicContact CB-CB 4.42Å; F154-L159 HydrophobicContact CD1-CB 3.85Å; F154-L159 HydrophobicContact CD1-CD1 4.25Å; F154-L159 PolarHBondContact O-N 3.11Å; F154-I161 HydrophobicContact CB-CG1 4.11Å; F154-P162 HydrophobicContact CE1-CG 4.09Å; F154-P162 HydrophobicContact CE2-CG 3.95Å; F154-P162 VanDerWaalsContact CZ-CD 3.41Å; F154-P162 HydrophobicContact CZ-CG 3.58Å
155R93.2Very high96.3Very high176 Ų17660.1 Ų60.166%0.66428%0.284SS*.Hα-helixtrans-63.8-40.7177.8-65.3-171.4-178.7-163.41.9111.9A152 D153 A157 K158A152-R155 WeakPolarHBondContact O-CB 3.41Å; A152-R155 PolarHBondContact O-N 3.17Å; A152-R155 VanDerWaalsContact O-N 3.07Å; D153-R155 PolarHBondContact O-N 2.95Å; R155-A157 VanDerWaalsContact C-N 3.28Å; R155-A157 PolarHBondContact O-N 2.03Å; R155-K158 PolarHBondContact O-N 2.8Å
156K94.7Very high96.1Very high183 Ų18364.9 Ų64.980%0.79630%0.302SS*.Hα-helixtrans-62.3-36.8176-173.5178.8177.8-1780111.7A152 D153 F154 K158A152-K156 PolarHBondContact O-N 3.26Å; D153-K156 PolarHBondContact O-N 3.01Å; F154-K156 PolarHBondContact O-N 2.95Å; K156-K158 PolarHBondContact O-N 3.23Å
157A93.5Very high95.8Very high39 Ų3969 Ų6932%0.32233%0.326SS..THydrogen-bonded Turntrans-78.91.6173.300000113.9D153 F154 R155 L159D153-A157 WeakPolarHBondContact O-CB 3.34Å; D153-A157 PolarHBondContact O-N 3.27Å; F154-A157 CarbonylContact O-C 2.94Å; F154-A157 PolarHBondContact O-N 3Å; R155-A157 VanDerWaalsContact C-N 3.28Å; R155-A157 PolarHBondContact O-N 2.03Å; A157-L159 HydrophobicContact CB-CD1 4.04Å; A157-L159 HydrophobicContact CB-CG 3.9Å; A157-L159 PolarHBondContact O-N 2.95Å
158K94.3Very high95.4Very high197 Ų19772.4 Ų72.486%0.85736%0.362SS*.THydrogen-bonded Turntrans58.332.1-174.3-55178.3-179.8177.30113.4F154 R155 K156F154-K158 PolarHBondContact O-N 3.45Å; F154-K158 VanDerWaalsContact O-N 3.12Å; R155-K158 PolarHBondContact O-N 2.8Å; K156-K158 PolarHBondContact O-N 3.23Å
159L94.3Very high95Very high40 Ų4081.3 Ų81.321%0.20940%0.403CS..  trans-105.2153.3178.4-61.2-175.7000111.1L123 Y127 F154 A157L123-L159 WeakPolarHBondContact O-CD1 3.32Å; Y127-L159 HydrophobicContact CD2-CB 4.27Å; Y127-L159 HydrophobicContact CD2-CD1 4.27Å; Y127-L159 HydrophobicContact CD2-CD2 4.01Å; Y127-L159 HydrophobicContact CD2-CG 4.4Å; Y127-L159 HydrophobicContact CE2-CB 4.1Å; F154-L159 CarbonylContact C-O 3.53Å; F154-L159 HydrophobicContact CB-CB 4.42Å; F154-L159 HydrophobicContact CD1-CB 3.85Å; F154-L159 HydrophobicContact CD1-CD1 4.25Å; F154-L159 PolarHBondContact O-N 3.11Å; A157-L159 HydrophobicContact CB-CD1 4.04Å; A157-L159 HydrophobicContact CB-CG 3.9Å; A157-L159 PolarHBondContact O-N 2.95Å
160L95.6Very high94.8Very high136 Ų13686.1 Ų86.171%0.71242%0.422SS*.PPolyproline II helixtrans-74.5139.8170.7-62175.6000109.9Y127Y127-L160 HydrophobicContact CE2-CB 4.5Å; Y127-L160 WeakPolarHBondContact CE2-O 3Å; Y127-L160 PolarHBondContact OH-O 3.31Å
161I95.8Very high94.7Very high19 Ų1987 Ų8710%0.09743%0.425CS..PPolyproline II helixtrans-65.8123.8173-61.4169.5000108.2Y151 F154 C165 R166 V171Y151-I161 HydrophobicContact CD2-CD1 3.86Å; F154-I161 HydrophobicContact CB-CG1 4.11Å; I161-C165 HydrophobicContact CG2-CB 3.8Å; I161-R166 PolarHBondContact O-NH2 3.34Å; I161-V171 HydrophobicContact CG2-CG1 3.86Å; I161-V171 HydrophobicContact CG2-CG2 4.42Å
162P96.5Very high94.7Very high3 Ų384.7 Ų84.72%0.01942%0.416CS..PPolyproline II helixtrans-70.5164-174.329.9-36000112.4Y126 F154 S164 C165Y126-P162 HydrophobicContact CE1-CB 3.94Å; Y126-P162 HydrophobicContact CE1-CG 4.41Å; Y126-P162 HydrophobicContact CE2-CB 4.46Å; Y126-P162 HydrophobicContact CE2-CG 4.37Å; Y126-P162 WeakPolarHBondContact OH-CB 3.32Å; F154-P162 HydrophobicContact CE1-CG 4.09Å; F154-P162 HydrophobicContact CE2-CG 3.95Å; F154-P162 VanDerWaalsContact CZ-CD 3.41Å; F154-P162 HydrophobicContact CZ-CG 3.58Å; P162-S164 VanDerWaalsContact C-N 3.32Å; P162-C165 HydrophobicContact CG-CB 4.25Å; P162-C165 PolarHBondContact O-N 3.45Å
163Y95.9Very high94.5Very high208 Ų20886.2 Ų86.282%0.81643%0.429SS*.G310 helixtrans-68.1-32.1178.4-71.7-72.3000112.7C165 R166Y163-C165 PolarHBondContact O-N 3.21Å; Y163-R166 PolarHBondContact O-N 3.45Å
164S97.3Very high94.5Very high13 Ų1390.6 Ų90.69%0.09144%0.444CS..G310 helixtrans-59.5-24.3175.856.50000113.6D137 H140 P162 R166D137-S164 WeakPolarHBondContact OD1-CB 3.06Å; D137-S164 PolarHBondContact OD1-OG 3.28Å; H140-S164 PolarHBondContact ND1-OG 3.45Å; P162-S164 VanDerWaalsContact C-N 3.32Å; S164-R166 VanDerWaalsContact C-N 3.3Å; S164-R166 PolarHBondContact O-N 3.46Å
165C97.1Very high94.5Very high0 Ų090.6 Ų90.60%044%0.444CS..G310 helixtrans-80.3-1.7174.3-78.30000114.5C146 I161 P162 Y163 V171 Y172C146-C165 WeakPolarHBondContact CA-SG 3.42Å; C146-C165 HydrophobicContact CB-CB 3.68Å; C146-C165 WeakPolarHBondContact CB-SG 3.14Å; C146-C165 WeakPolarHBondContact SG-CB 3.35Å; C146-C165 CovalentContact SG-SG 2.04Å; C146-C165 PolarHBondContact SG-SG 3.36Å; I161-C165 HydrophobicContact CG2-CB 3.8Å; P162-C165 HydrophobicContact CG-CB 4.25Å; P162-C165 PolarHBondContact O-N 3.45Å; Y163-C165 PolarHBondContact O-N 3.21Å; C165-V171 HydrophobicContact CB-CG1 4.28Å; C165-V171 WeakPolarHBondContact O-CA 3.13Å; C165-Y172 VanDerWaalsContact O-CD2 3.27Å; C165-Y172 WeakPolarHBondContact O-CD2 3.32Å; C165-Y172 PolarHBondContact O-N 3.11Å
166R94.7Very high94.8Very high100 Ų10082.2 Ų82.238%0.37741%0.413SS..EExtended strand (participates in β ladder)trans-120.7144.8-166-55.9-174-169-169.54.7113.3I161 Y163 S164 F170 V171I161-R166 PolarHBondContact O-NH2 3.34Å; Y163-R166 PolarHBondContact O-N 3.45Å; S164-R166 VanDerWaalsContact C-N 3.3Å; S164-R166 PolarHBondContact O-N 3.46Å; R166-F170 CarbonylContact C-O 3.55Å; R166-F170 WeakPolarHBondContact CA-O 2.98Å; R166-F170 WeakPolarHBondContact CB-O 3.47Å; R166-V171 HydrophobicContact CG-CG2 4.2Å
167V91.6Very high94.9Very high86 Ų8675.4 Ų75.452%0.52138%0.382SS..EExtended strand (participates in β ladder)trans-119.698.9163.2-175.70000107.7Q169 F170 Y172V167-Q169 PolarHBondContact O-N 3.15Å; V167-Q169 VanDerWaalsContact O-N 3.17Å; V167-F170 PolarHBondContact N-O 3.49Å; V167-F170 PolarHBondContact O-N 3.03Å; V167-F170 VanDerWaalsContact O-N 3.11Å; V167-Y172 HydrophobicContact CG2-CE1 3.76Å; V167-Y172 WeakPolarHBondContact CG2-OH 3.44Å
168G89.6Confident95Very high72 Ų7276.5 Ų76.574%0.74238%0.383SS*.THydrogen-bonded Turntrans61.7-116.1-170.400000111.3
169Q88.9Confident95.2Very high187 Ų18769.1 Ų69.187%0.87435%0.351SS*.THydrogen-bonded Turntrans-90.7-11.6178.6-64.9-172.4-16.300113.7V167V167-Q169 PolarHBondContact O-N 3.15Å; V167-Q169 VanDerWaalsContact O-N 3.17Å
170F93.5Very high95.2Very high164 Ų16467.4 Ų67.472%0.71934%0.342SS*.EExtended strand (participates in β ladder)trans-86.7147.7-178.2-59-71.7000111R166 V167R166-F170 CarbonylContact C-O 3.55Å; R166-F170 WeakPolarHBondContact CA-O 2.98Å; R166-F170 WeakPolarHBondContact CB-O 3.47Å; V167-F170 PolarHBondContact N-O 3.49Å; V167-F170 PolarHBondContact O-N 3.03Å; V167-F170 VanDerWaalsContact O-N 3.11Å
171V95.3Very high95.2Very high49 Ų4961.8 Ų61.830%0.29731%0.314SS..EExtended strand (participates in β ladder)trans-116.3137.9177-1760000108.1C146 Y151 I161 C165 R166 A173C146-V171 HydrophobicContact CB-CG1 4.42Å; Y151-V171 HydrophobicContact CG-CG1 4.02Å; I161-V171 HydrophobicContact CG2-CG1 3.86Å; I161-V171 HydrophobicContact CG2-CG2 4.42Å; C165-V171 HydrophobicContact CB-CG1 4.28Å; C165-V171 WeakPolarHBondContact O-CA 3.13Å; R166-V171 HydrophobicContact CG-CG2 4.2Å; V171-A173 PolarHBondContact O-N 3.21Å
172Y96Very high95.2Very high44 Ų4464.8 Ų64.817%0.17333%0.33CS..  trans-58.9127.2173-58.3-53.6000110.7F144 C145 C146 C165 V167F144-Y172 VanDerWaalsContact C-CG 3.43Å; F144-Y172 HydrophobicContact CB-CD1 4.08Å; F144-Y172 HydrophobicContact CB-CE1 3.84Å; F144-Y172 AromaticContact CD1-CE1 3.91Å; F144-Y172 HydrophobicContact CD1-CE1 3.91Å; F144-Y172 AromaticContact CD1-CZ 3.75Å; F144-Y172 WeakPolarHBondContact CD1-OH 3.5Å; F144-Y172 HydrophobicContact CG-CE1 4.39Å; F144-Y172 WeakPolarHBondContact O-CB 3.26Å; F144-Y172 WeakPolarHBondContact O-CD1 3.36Å; F144-Y172 VanDerWaalsContact O-CG 3.24Å; C145-Y172 WeakPolarHBondContact O-CD2 3.29Å; C146-Y172 WeakPolarHBondContact CB-O 3.18Å; C165-Y172 VanDerWaalsContact O-CD2 3.27Å; C165-Y172 WeakPolarHBondContact O-CD2 3.32Å; C165-Y172 PolarHBondContact O-N 3.11Å; V167-Y172 HydrophobicContact CG2-CE1 3.76Å; V167-Y172 WeakPolarHBondContact CG2-OH 3.44Å
173A94Very high95.1Very high73 Ų7366.4 Ų66.460%0.60334%0.337SS*.  trans-80.2-32.6-177.400000112.6V171V171-A173 PolarHBondContact O-N 3.21Å
174R96Very high95.1Very high113 Ų11356.5 Ų56.543%0.42630%0.298SS..SBendtrans-79.9140.3-172.5-166.5151.1179.1-149.85.3111.6C145 C146 E179 D182C145-R174 CarbonylContact C-O 3.59Å; C145-R174 WeakPolarHBondContact CA-O 3.34Å; C146-R174 PolarHBondContact N-O 2.7Å; R174-E179 WeakPolarHBondContact CD-OE1 3.44Å; R174-E179 HydrophobicContact CG-CG 4.22Å; R174-E179 IonicContact CZ-OE1 3.79Å; R174-E179 IonicContact NE-OE1 3.92Å; R174-E179 PolarHBondContact NE-OE1 3.35Å; R174-E179 IonicContact NH1-OE1 2.76Å; R174-E179 PolarHBondContact NH1-OE1 3.18Å; R174-E179 IonicContact NH1-OE2 3.22Å; R174-D182 IonicContact CZ-OD2 3.68Å; R174-D182 IonicContact NH2-OD2 3.12Å; R174-D182 PolarHBondContact NH2-OD2 2.84Å
175G97.8Very high95Very high1 Ų159.3 Ų59.31%0.0131%0.31CS..  trans-74.2146.6175.900000112.5V148 N149 Y177 D178V148-G175 CarbonylContact O-C 3.32Å; V148-G175 VanDerWaalsContact O-CA 3.27Å; V148-G175 WeakPolarHBondContact O-CA 3.29Å; N149-G175 VanDerWaalsContact O-CA 3.23Å; N149-G175 WeakPolarHBondContact O-CA 3.49Å; N149-G175 PolarHBondContact O-N 3.02Å; G175-Y177 VanDerWaalsContact C-N 3.29Å; G175-Y177 PolarHBondContact O-N 3.01Å; G175-D178 PolarHBondContact O-N 3.42Å
176C98.1Very high95Very high0 Ų066.2 Ų66.20%034%0.337CS..Hα-helixtrans-72.8-22.3179.4-64.40000114.1L139 H140 C145 G147 V148 L180L139-C176 HydrophobicContact CD2-CB 3.47Å; L139-C176 VanDerWaalsContact CD2-CB 3.47Å; L139-C176 HydrophobicContact CG-CB 3.96Å; H140-C176 PolarHBondContact CD2-SG 2.64Å; C145-C176 VanDerWaalsContact C-SG 3.52Å; C145-C176 HydrophobicContact CB-CB 3.89Å; C145-C176 WeakPolarHBondContact CB-SG 3.29Å; C145-C176 WeakPolarHBondContact SG-CA 3.4Å; C145-C176 WeakPolarHBondContact SG-CB 3.5Å; C145-C176 CovalentContact SG-SG 2.03Å; C145-C176 PolarHBondContact SG-SG 2.99Å; G147-C176 VanDerWaalsContact O-CB 3.26Å; G147-C176 WeakPolarHBondContact O-CB 3.43Å; G147-C176 PolarHBondContact O-N 3.4Å; G147-C176 PolarHBondContact O-SG 3.46Å; V148-C176 PolarHBondContact O-N 3.44Å; V148-C176 VanDerWaalsContact O-N 3.16Å; C176-L180 WeakPolarHBondContact O-CB 3.5Å; C176-L180 PolarHBondContact O-N 3.36Å
177Y97.7Very high95Very high39 Ų3962.2 Ų62.215%0.15332%0.322CS..Hα-helixtrans-60.9-47.2173.7169.2-100.5000110.8F112 K116 L119 V148 G175 L180 S181F112-Y177 WeakPolarHBondContact O-CE2 3.32Å; K116-Y177 HydrophobicContact CB-CD2 3.67Å; K116-Y177 HydrophobicContact CB-CE2 3.55Å; K116-Y177 HydrophobicContact CB-CG 4.4Å; K116-Y177 HydrophobicContact CD-CD1 4.06Å; K116-Y177 HydrophobicContact CD-CD2 4.21Å; K116-Y177 HydrophobicContact CD-CE1 3.94Å; K116-Y177 HydrophobicContact CD-CE2 4.08Å; K116-Y177 HydrophobicContact CD-CG 4.19Å; K116-Y177 HydrophobicContact CG-CD2 3.94Å; K116-Y177 HydrophobicContact CG-CE2 4.09Å; K116-Y177 HydrophobicContact CG-CG 4.17Å; L119-Y177 HydrophobicContact CD1-CD2 4.48Å; V148-Y177 WeakPolarHBondContact O-CB 3.26Å; V148-Y177 PolarHBondContact O-N 3.16Å; G175-Y177 VanDerWaalsContact C-N 3.29Å; G175-Y177 PolarHBondContact O-N 3.01Å; Y177-L180 PolarHBondContact O-N 3.48Å; Y177-S181 WeakPolarHBondContact O-CB 3.22Å; Y177-S181 PolarHBondContact O-N 2.98Å; Y177-S181 PolarHBondContact O-OG 3.09Å; Y177-S181 VanDerWaalsContact O-OG 3.11Å
178D96.1Very high95.2Very high63 Ų6358.2 Ų58.234%0.33730%0.298SS..Hα-helixtrans-63-49.4-178-65.6-17.3000110.6G175 L180 S181 D182G175-D178 PolarHBondContact O-N 3.42Å; D178-L180 PolarHBondContact O-N 2.96Å; D178-S181 WeakPolarHBondContact CA-OG 3.4Å; D178-S181 PolarHBondContact O-N 2.53Å; D178-S181 PolarHBondContact O-OG 3.24Å; D178-D182 WeakPolarHBondContact O-CB 3.3Å; D178-D182 PolarHBondContact O-N 3.44Å
179E96.6Very high95.5Very high42 Ų4258 Ų5820%0.19628%0.282CS..Hα-helixtrans-61.5-44.1178.6-67.8-65.9165.800113.1F143 C145 R174 S181 D182 F183F143-E179 HydrophobicContact CB-CB 3.83Å; F143-E179 HydrophobicContact CB-CG 4.28Å; F143-E179 HydrophobicContact CD1-CB 3.89Å; F143-E179 HydrophobicContact CG-CB 4.1Å; C145-E179 HydrophobicContact CB-CG 4.06Å; R174-E179 WeakPolarHBondContact CD-OE1 3.44Å; R174-E179 HydrophobicContact CG-CG 4.22Å; R174-E179 IonicContact CZ-OE1 3.79Å; R174-E179 IonicContact NE-OE1 3.92Å; R174-E179 PolarHBondContact NE-OE1 3.35Å; R174-E179 IonicContact NH1-OE1 2.76Å; R174-E179 PolarHBondContact NH1-OE1 3.18Å; R174-E179 IonicContact NH1-OE2 3.22Å; E179-S181 VanDerWaalsContact C-N 3.33Å; E179-D182 PolarHBondContact O-N 3.38Å; E179-F183 PolarHBondContact O-N 2.81Å; E179-F183 VanDerWaalsContact O-N 3.1Å
180L96.1Very high95.9Very high4 Ų451.7 Ų51.72%0.02125%0.254CS..Hα-helixtrans-66.6-39177.4-176.563.3000111L39 Y42 I46 L119 L139 F143 C176 Y177 D178 F183 V184L39-L180 HydrophobicContact CD1-CD1 3.97Å; Y42-L180 HydrophobicContact CD2-CD1 4.28Å; I46-L180 HydrophobicContact CG2-CD2 4.02Å; L119-L180 HydrophobicContact CD1-CD2 4.46Å; L139-L180 HydrophobicContact CD1-CD1 4.32Å; F143-L180 HydrophobicContact CE2-CD1 4.24Å; F143-L180 HydrophobicContact CZ-CD1 4.3Å; C176-L180 WeakPolarHBondContact O-CB 3.5Å; C176-L180 PolarHBondContact O-N 3.36Å; Y177-L180 PolarHBondContact O-N 3.48Å; D178-L180 PolarHBondContact O-N 2.96Å; L180-F183 PolarHBondContact O-N 3.11Å; L180-V184 HydrophobicContact CD1-CG2 4.48Å; L180-V184 WeakPolarHBondContact O-CG2 3.41Å; L180-V184 PolarHBondContact O-N 3.05Å
181S94.9Very high96.1Very high18 Ų1843.9 Ų43.913%0.12622%0.22CC..Hα-helixtrans-66.5-42178.672.50000111.8Y177 D178 E179 F183 V184 Q185Y177-S181 WeakPolarHBondContact O-CB 3.22Å; Y177-S181 PolarHBondContact O-N 2.98Å; Y177-S181 PolarHBondContact O-OG 3.09Å; Y177-S181 VanDerWaalsContact O-OG 3.11Å; D178-S181 WeakPolarHBondContact CA-OG 3.4Å; D178-S181 PolarHBondContact O-N 2.53Å; D178-S181 PolarHBondContact O-OG 3.24Å; E179-S181 VanDerWaalsContact C-N 3.33Å; S181-F183 VanDerWaalsContact C-N 3.33Å; S181-F183 PolarHBondContact O-N 2.92Å; S181-V184 PolarHBondContact O-N 3.34Å; S181-Q185 WeakPolarHBondContact O-CB 3.42Å; S181-Q185 PolarHBondContact O-N 3.26Å
182D95.5Very high96.1Very high81 Ų8142.4 Ų42.443%0.43321%0.211SC..Hα-helixtrans-60.8-43.9175.7-75.2-15.2000110.7R174 D178 E179 Y186R174-D182 IonicContact CZ-OD2 3.68Å; R174-D182 IonicContact NH2-OD2 3.12Å; R174-D182 PolarHBondContact NH2-OD2 2.84Å; D178-D182 WeakPolarHBondContact O-CB 3.3Å; D178-D182 PolarHBondContact O-N 3.44Å; E179-D182 PolarHBondContact O-N 3.38Å; D182-Y186 WeakPolarHBondContact O-CB 3.17Å; D182-Y186 PolarHBondContact O-N 2.98Å; D182-Y186 VanDerWaalsContact O-N 3.08Å
183F95.5Very high96.1Very high37 Ų3743 Ų4316%0.16222%0.221CC..Hα-helixtrans-61-47.9175.1171.1-90.4000112.6H38 F143 E179 L180 S181 Y186 Y187H38-F183 HydrophobicContact CB-CE1 4.28Å; H38-F183 HydrophobicContact CB-CZ 3.78Å; H38-F183 AromaticContact CE1-CE2 3.9Å; H38-F183 AromaticContact CE1-CZ 3.84Å; H38-F183 AromaticContact CG-CZ 3.5Å; H38-F183 VanDerWaalsContact CG-CZ 3.5Å; H38-F183 AromaticContact ND1-CE1 3.41Å; H38-F183 WeakPolarHBondContact ND1-CE1 3.26Å; H38-F183 AromaticContact ND1-CE2 3.68Å; H38-F183 AromaticContact ND1-CZ 3.14Å; H38-F183 WeakPolarHBondContact ND1-CZ 3.4Å; F143-F183 HydrophobicContact CE1-CB 3.76Å; F143-F183 HydrophobicContact CE1-CD2 4.24Å; F143-F183 HydrophobicContact CE1-CG 4.09Å; F143-F183 HydrophobicContact CZ-CB 3.97Å; F143-F183 HydrophobicContact CZ-CD1 4.39Å; F143-F183 HydrophobicContact CZ-CD2 4.18Å; F143-F183 AromaticContact CZ-CG 3.92Å; F143-F183 HydrophobicContact CZ-CG 3.92Å; E179-F183 PolarHBondContact O-N 2.81Å; E179-F183 VanDerWaalsContact O-N 3.1Å; L180-F183 PolarHBondContact O-N 3.11Å; S181-F183 VanDerWaalsContact C-N 3.33Å; S181-F183 PolarHBondContact O-N 2.92Å; F183-Y186 PolarHBondContact O-N 2.04Å; F183-Y187 HydrophobicContact CD2-CE2 4.25Å; F183-Y187 HydrophobicContact CE1-CD2 4.21Å; F183-Y187 HydrophobicContact CE1-CE2 4.3Å; F183-Y187 HydrophobicContact CE2-CD2 4.12Å; F183-Y187 AromaticContact CE2-CE2 3.53Å; F183-Y187 HydrophobicContact CE2-CE2 3.53Å; F183-Y187 AromaticContact CZ-CD2 3.9Å; F183-Y187 HydrophobicContact CZ-CD2 3.9Å; F183-Y187 AromaticContact CZ-CE2 3.54Å; F183-Y187 HydrophobicContact CZ-CE2 3.54Å; F183-Y187 PolarHBondContact O-N 3.19Å
184V95.6Very high96.2Very high0 Ų041 Ų410%020%0.201CC..Hα-helixtrans-68-43.8-178.9169.40000110.9L39 P51 Y54 F111 F112 L180 S181 Y186 Y187 I188L39-V184 HydrophobicContact CD1-CG2 4.09Å; L39-V184 HydrophobicContact CD2-CG2 4.43Å; P51-V184 HydrophobicContact CG-CG1 3.58Å; Y54-V184 PolarHBondContact OH-O 3.38Å; F111-V184 HydrophobicContact CD1-CG1 3.91Å; F111-V184 HydrophobicContact CE1-CB 3.94Å; F111-V184 HydrophobicContact CE1-CG1 3.41Å; F111-V184 VanDerWaalsContact CE1-CG1 3.41Å; F111-V184 HydrophobicContact CE1-CG2 4.02Å; F111-V184 HydrophobicContact CZ-CB 4.35Å; F111-V184 HydrophobicContact CZ-CG1 3.9Å; F111-V184 HydrophobicContact CZ-CG2 3.93Å; F112-V184 HydrophobicContact CE1-CB 4.29Å; F112-V184 HydrophobicContact CE1-CG1 4.18Å; F112-V184 HydrophobicContact CZ-CG1 4.28Å; L180-V184 HydrophobicContact CD1-CG2 4.48Å; L180-V184 WeakPolarHBondContact O-CG2 3.41Å; L180-V184 PolarHBondContact O-N 3.05Å; S181-V184 PolarHBondContact O-N 3.34Å; V184-Y186 VanDerWaalsContact C-N 3.26Å; V184-Y186 PolarHBondContact O-N 3.4Å; V184-Y187 PolarHBondContact O-N 3.39Å; V184-I188 HydrophobicContact CG1-CD1 3.5Å; V184-I188 HydrophobicContact CG1-CG1 4.08Å; V184-I188 WeakPolarHBondContact O-CB 3.2Å; V184-I188 WeakPolarHBondContact O-CG1 3.49Å; V184-I188 PolarHBondContact O-N 2.94Å
185Q95.1Very high96.3Very high73 Ų7335.7 Ų35.734%0.34118%0.18SC..Hα-helixtrans-59.2-38.3178.4-174.159.835.700111.8F112 S181 T189F112-Q185 HydrophobicContact CZ-CB 4.07Å; S181-Q185 WeakPolarHBondContact O-CB 3.42Å; S181-Q185 PolarHBondContact O-N 3.26Å; Q185-T189 PolarHBondContact NE2-OG1 3.35Å; Q185-T189 VanDerWaalsContact NE2-OG1 3.16Å; Q185-T189 VanDerWaalsContact O-CB 3.29Å; Q185-T189 WeakPolarHBondContact O-CB 3.45Å; Q185-T189 PolarHBondContact O-N 3.1Å; Q185-T189 PolarHBondContact O-OG1 3.09Å
186Y95.8Very high96.2Very high144 Ų14440.4 Ų40.457%0.56520%0.201SC*.Hα-helixtrans-57.7-50.7175.3171.3-96.4000112D182 F183 V184 T189 L190D182-Y186 WeakPolarHBondContact O-CB 3.17Å; D182-Y186 PolarHBondContact O-N 2.98Å; D182-Y186 VanDerWaalsContact O-N 3.08Å; F183-Y186 PolarHBondContact O-N 2.04Å; V184-Y186 VanDerWaalsContact C-N 3.26Å; V184-Y186 PolarHBondContact O-N 3.4Å; Y186-T189 PolarHBondContact O-N 2.83Å; Y186-L190 HydrophobicContact CE1-CD2 4.23Å; Y186-L190 VanDerWaalsContact O-CB 3.31Å; Y186-L190 WeakPolarHBondContact O-CB 3.47Å; Y186-L190 PolarHBondContact O-N 3.41Å
187Y96.3Very high96.1Very high17 Ų1745.1 Ų45.17%0.06723%0.225CC..Hα-helixtrans-69.9-39.9180-83-82.4000112.6L31 K34 A35 Y54 F183 V184 T189 L190 L191L31-Y187 HydrophobicContact CD2-CE1 4.47Å; K34-Y187 WeakPolarHBondContact CD-OH 3.38Å; K34-Y187 VanDerWaalsContact CE-OH 3.28Å; K34-Y187 WeakPolarHBondContact CE-OH 3.41Å; K34-Y187 PolarHBondContact NZ-OH 3.44Å; A35-Y187 HydrophobicContact CB-CD1 3.62Å; A35-Y187 HydrophobicContact CB-CD2 4.3Å; A35-Y187 HydrophobicContact CB-CE1 4.13Å; A35-Y187 HydrophobicContact CB-CG 3.71Å; Y54-Y187 WeakPolarHBondContact OH-CB 3.41Å; F183-Y187 HydrophobicContact CD2-CE2 4.25Å; F183-Y187 HydrophobicContact CE1-CD2 4.21Å; F183-Y187 HydrophobicContact CE1-CE2 4.3Å; F183-Y187 HydrophobicContact CE2-CD2 4.12Å; F183-Y187 AromaticContact CE2-CE2 3.53Å; F183-Y187 HydrophobicContact CE2-CE2 3.53Å; F183-Y187 AromaticContact CZ-CD2 3.9Å; F183-Y187 HydrophobicContact CZ-CD2 3.9Å; F183-Y187 AromaticContact CZ-CE2 3.54Å; F183-Y187 HydrophobicContact CZ-CE2 3.54Å; F183-Y187 PolarHBondContact O-N 3.19Å; V184-Y187 PolarHBondContact O-N 3.39Å; Y187-T189 VanDerWaalsContact C-N 3.33Å; Y187-T189 PolarHBondContact O-N 3.44Å; Y187-L190 PolarHBondContact O-N 2.94Å; Y187-L191 VanDerWaalsContact O-CB 3.31Å; Y187-L191 WeakPolarHBondContact O-CB 3.43Å; Y187-L191 WeakPolarHBondContact O-CG 3.25Å; Y187-L191 PolarHBondContact O-N 2.71Å
188I95.5Very high96Very high1 Ų143.5 Ų43.51%0.00522%0.219CC..Hα-helixtrans-55.3-50.3173.4-76.4175.9000110.5P51 I53 Y54 D108 F112 V184 L190 L191 T192P51-I188 HydrophobicContact CB-CD1 3.9Å; P51-I188 HydrophobicContact CB-CG1 4.07Å; P51-I188 HydrophobicContact CG-CD1 3.9Å; P51-I188 HydrophobicContact CG-CG1 4.27Å; I53-I188 HydrophobicContact CG2-CG1 4.1Å; Y54-I188 HydrophobicContact CE1-CG1 4.26Å; D108-I188 HydrophobicContact CB-CD1 4.46Å; D108-I188 VanDerWaalsContact CG-CG2 3.43Å; D108-I188 WeakPolarHBondContact OD2-CG2 2.99Å; F112-I188 HydrophobicContact CZ-CD1 4.19Å; V184-I188 HydrophobicContact CG1-CD1 3.5Å; V184-I188 HydrophobicContact CG1-CG1 4.08Å; V184-I188 WeakPolarHBondContact O-CB 3.2Å; V184-I188 WeakPolarHBondContact O-CG1 3.49Å; V184-I188 PolarHBondContact O-N 2.94Å; I188-L190 PolarHBondContact O-N 3.16Å; I188-L191 PolarHBondContact O-N 2.92Å; I188-T192 WeakPolarHBondContact O-CB 2.95Å; I188-T192 PolarHBondContact O-N 3.48Å; I188-T192 PolarHBondContact O-OG1 3.49Å
189T95.5Very high96Very high69 Ų6940.5 Ų40.542%0.42320%0.203SC..Hα-helixtrans-63.3-44.5-178.9-56.90000110.9Q185 Y186 Y187 S193Q185-T189 PolarHBondContact NE2-OG1 3.35Å; Q185-T189 VanDerWaalsContact NE2-OG1 3.16Å; Q185-T189 VanDerWaalsContact O-CB 3.29Å; Q185-T189 WeakPolarHBondContact O-CB 3.45Å; Q185-T189 PolarHBondContact O-N 3.1Å; Q185-T189 PolarHBondContact O-OG1 3.09Å; Y186-T189 PolarHBondContact O-N 2.83Å; Y187-T189 VanDerWaalsContact C-N 3.33Å; Y187-T189 PolarHBondContact O-N 3.44Å; T189-S193 WeakPolarHBondContact O-CB 3.36Å; T189-S193 PolarHBondContact O-N 2.83Å; T189-S193 PolarHBondContact O-OG 3.49Å
190L96.6Very high95.9Very high53 Ų5343.9 Ų43.928%0.27722%0.218SC..Hα-helixtrans-61.8-50.3178.6-178.862.4000111.8L31 Y186 Y187 I188 S193 I194L31-L190 HydrophobicContact CD1-CD2 3.9Å; L31-L190 HydrophobicContact CD1-CG 4.36Å; Y186-L190 HydrophobicContact CE1-CD2 4.23Å; Y186-L190 VanDerWaalsContact O-CB 3.31Å; Y186-L190 WeakPolarHBondContact O-CB 3.47Å; Y186-L190 PolarHBondContact O-N 3.41Å; Y187-L190 PolarHBondContact O-N 2.94Å; I188-L190 PolarHBondContact O-N 3.16Å; L190-S193 PolarHBondContact O-N 3.16Å; L190-I194 HydrophobicContact CD1-CD1 4.42Å; L190-I194 HydrophobicContact CG-CD1 4.3Å; L190-I194 WeakPolarHBondContact O-CG1 3.32Å; L190-I194 PolarHBondContact O-N 3.2Å; L190-I194 VanDerWaalsContact O-N 3.07Å
191L97.4Very high95.9Very high0 Ų046.1 Ų46.10%023%0.229CC..Hα-helixtrans-66.3-43.1-179.3-67.8172000111.6L28 L31 I53 Y54 Y187 I188 S193 I194 C195L28-L191 HydrophobicContact CD1-CD2 3.69Å; L31-L191 HydrophobicContact CB-CD2 3.91Å; I53-L191 HydrophobicContact CD1-CB 3.62Å; I53-L191 HydrophobicContact CG1-CB 3.97Å; I53-L191 HydrophobicContact CG1-CD1 4.41Å; I53-L191 HydrophobicContact CG2-CD1 4.37Å; Y54-L191 HydrophobicContact CD1-CD1 3.63Å; Y54-L191 HydrophobicContact CE1-CD1 3.83Å; Y187-L191 VanDerWaalsContact O-CB 3.31Å; Y187-L191 WeakPolarHBondContact O-CB 3.43Å; Y187-L191 WeakPolarHBondContact O-CG 3.25Å; Y187-L191 PolarHBondContact O-N 2.71Å; I188-L191 PolarHBondContact O-N 2.92Å; L191-S193 VanDerWaalsContact C-N 3.3Å; L191-S193 PolarHBondContact O-N 2.98Å; L191-I194 PolarHBondContact O-N 3.27Å; L191-C195 WeakPolarHBondContact O-CB 3.26Å; L191-C195 PolarHBondContact O-N 3.28Å; L191-C195 PolarHBondContact O-SG 3.05Å; L191-C195 VanDerWaalsContact O-SG 3.39Å
192T96.2Very high96Very high18 Ų1845.4 Ų45.411%0.1122%0.223CC..Hα-helixtrans-59.3-43.9176.6-630000110.9I53 A101 V105 I188 C195 F196I53-T192 VanDerWaalsContact CD1-OG1 3.31Å; I53-T192 WeakPolarHBondContact CD1-OG1 3.26Å; A101-T192 HydrophobicContact CB-CG2 4.19Å; V105-T192 HydrophobicContact CG2-CG2 4.03Å; I188-T192 WeakPolarHBondContact O-CB 2.95Å; I188-T192 PolarHBondContact O-N 3.48Å; I188-T192 PolarHBondContact O-OG1 3.49Å; T192-C195 PolarHBondContact O-N 2.83Å; T192-F196 VanDerWaalsContact O-CB 3.31Å; T192-F196 WeakPolarHBondContact O-CB 3.42Å; T192-F196 PolarHBondContact O-N 2.96Å
193S96.2Very high96Very high56 Ų5645.9 Ų45.939%0.39223%0.225SC..Hα-helixtrans-61.7-45177.2-600000111.9T189 L190 L191 I197T189-S193 WeakPolarHBondContact O-CB 3.36Å; T189-S193 PolarHBondContact O-N 2.83Å; T189-S193 PolarHBondContact O-OG 3.49Å; L190-S193 PolarHBondContact O-N 3.16Å; L191-S193 VanDerWaalsContact C-N 3.3Å; L191-S193 PolarHBondContact O-N 2.98Å; S193-I197 WeakPolarHBondContact O-CB 3.23Å; S193-I197 WeakPolarHBondContact O-CD1 3.45Å; S193-I197 VanDerWaalsContact O-CG1 3.26Å; S193-I197 WeakPolarHBondContact O-CG1 3.22Å; S193-I197 PolarHBondContact O-N 3.38Å
194I96.7Very high96Very high33 Ų3348.7 Ų48.717%0.16925%0.245CC..Hα-helixtrans-59.5-55.3175.9-68.1166.4000109.7I27 L28 L31 L190 L191 F196 I197 T198I27-I194 HydrophobicContact CG2-CD1 4.31Å; L28-I194 HydrophobicContact CD1-CG2 4.25Å; L31-I194 HydrophobicContact CD1-CD1 3.84Å; L190-I194 HydrophobicContact CD1-CD1 4.42Å; L190-I194 HydrophobicContact CG-CD1 4.3Å; L190-I194 WeakPolarHBondContact O-CG1 3.32Å; L190-I194 PolarHBondContact O-N 3.2Å; L190-I194 VanDerWaalsContact O-N 3.07Å; L191-I194 PolarHBondContact O-N 3.27Å; I194-F196 VanDerWaalsContact C-N 3.31Å; I194-F196 PolarHBondContact O-N 2.97Å; I194-I197 PolarHBondContact O-N 3.36Å; I194-T198 HydrophobicContact CG2-CG2 4.15Å; I194-T198 WeakPolarHBondContact O-CB 3.39Å; I194-T198 WeakPolarHBondContact O-CG2 3.4Å; I194-T198 PolarHBondContact O-N 2.9Å; I194-T198 PolarHBondContact O-OG1 3.43Å
195C97.2Very high96.1Very high0 Ų048.7 Ų48.70%025%0.245CC..Hα-helixtrans-56.6-42.9-178.4-73.20000112.6N97 A101 L191 T192 T198 S199N97-C195 HydrophobicContact CB-CB 4.2Å; A101-C195 HydrophobicContact CB-CB 4.12Å; L191-C195 WeakPolarHBondContact O-CB 3.26Å; L191-C195 PolarHBondContact O-N 3.28Å; L191-C195 PolarHBondContact O-SG 3.05Å; L191-C195 VanDerWaalsContact O-SG 3.39Å; T192-C195 PolarHBondContact O-N 2.83Å; C195-T198 WeakPolarHBondContact CA-OG1 3.07Å; C195-T198 PolarHBondContact O-OG1 2.74Å; C195-S199 WeakPolarHBondContact O-CB 3.27Å; C195-S199 PolarHBondContact O-N 2.52Å; C195-S199 PolarHBondContact O-OG 3.3Å
196F95.4Very high96.1Very high101 Ų10146.5 Ų46.544%0.44324%0.235SC..Hα-helixtrans-64.7-52179.2-169.1-103.3000111.3A101 T192 I194 T198 S199 F200A101-F196 HydrophobicContact CB-CB 4.24Å; A101-F196 HydrophobicContact CB-CD2 4.45Å; T192-F196 VanDerWaalsContact O-CB 3.31Å; T192-F196 WeakPolarHBondContact O-CB 3.42Å; T192-F196 PolarHBondContact O-N 2.96Å; I194-F196 VanDerWaalsContact C-N 3.31Å; I194-F196 PolarHBondContact O-N 2.97Å; F196-T198 PolarHBondContact O-N 2.82Å; F196-S199 PolarHBondContact O-N 2.92Å; F196-F200 HydrophobicContact CD1-CD2 4.31Å; F196-F200 AromaticContact CD1-CE2 3.83Å; F196-F200 HydrophobicContact CD1-CE2 3.83Å; F196-F200 HydrophobicContact CD2-CE2 4.19Å; F196-F200 HydrophobicContact CE1-CD2 4.23Å; F196-F200 AromaticContact CE1-CE2 3.43Å; F196-F200 HydrophobicContact CE1-CE2 3.43Å; F196-F200 VanDerWaalsContact CE1-CE2 3.43Å; F196-F200 HydrophobicContact CE1-CZ 4.24Å; F196-F200 AromaticContact CE2-CE2 3.81Å; F196-F200 HydrophobicContact CE2-CE2 3.81Å; F196-F200 HydrophobicContact CE2-CZ 4.32Å; F196-F200 HydrophobicContact CG-CE2 4.21Å; F196-F200 AromaticContact CZ-CE2 3.42Å; F196-F200 HydrophobicContact CZ-CE2 3.42Å; F196-F200 VanDerWaalsContact CZ-CE2 3.42Å; F196-F200 AromaticContact CZ-CZ 3.89Å; F196-F200 HydrophobicContact CZ-CZ 3.89Å; F196-F200 VanDerWaalsContact O-CD2 3.23Å; F196-F200 WeakPolarHBondContact O-CD2 3.37Å; F196-F200 PolarHBondContact O-N 3.46Å
197I96.1Very high96Very high99 Ų9941.2 Ų41.251%0.50823%0.225SC..Hα-helixtrans-62-46.5-179.5-66.9167.9000111S193 I194 S199 F200 I201S193-I197 WeakPolarHBondContact O-CB 3.23Å; S193-I197 WeakPolarHBondContact O-CD1 3.45Å; S193-I197 VanDerWaalsContact O-CG1 3.26Å; S193-I197 WeakPolarHBondContact O-CG1 3.22Å; S193-I197 PolarHBondContact O-N 3.38Å; I194-I197 PolarHBondContact O-N 3.36Å; I197-S199 VanDerWaalsContact C-N 3.28Å; I197-S199 PolarHBondContact O-N 3.16Å; I197-F200 PolarHBondContact O-N 2.82Å; I197-I201 HydrophobicContact CG2-CD1 3.99Å; I197-I201 PolarHBondContact O-N 3.49Å
198T95.5Very high95.8Very high4 Ų440.8 Ų40.83%0.02522%0.224CC..Hα-helixtrans-64-34.7-179.955.30000111.6F20 T24 I194 C195 F196 F200 I201 Y202F20-T198 HydrophobicContact CE1-CG2 4.41Å; T24-T198 HydrophobicContact CG2-CG2 3.91Å; I194-T198 HydrophobicContact CG2-CG2 4.15Å; I194-T198 WeakPolarHBondContact O-CB 3.39Å; I194-T198 WeakPolarHBondContact O-CG2 3.4Å; I194-T198 PolarHBondContact O-N 2.9Å; I194-T198 PolarHBondContact O-OG1 3.43Å; C195-T198 WeakPolarHBondContact CA-OG1 3.07Å; C195-T198 PolarHBondContact O-OG1 2.74Å; F196-T198 PolarHBondContact O-N 2.82Å; T198-F200 PolarHBondContact O-N 3.2Å; T198-I201 PolarHBondContact O-N 3.26Å; T198-Y202 WeakPolarHBondContact O-CB 3.36Å; T198-Y202 WeakPolarHBondContact O-CD1 3.46Å; T198-Y202 PolarHBondContact O-N 3.07Å
199S96.1Very high95.6Very high1 Ų140.8 Ų40.81%0.00722%0.224CC..Hα-helixtrans-60-43.5178.1-630000112.3N97 L98 C195 F196 I197 Y202 I203N97-S199 WeakPolarHBondContact CB-OG 3.33Å; L98-S199 PolarHBondContact N-OG 2.76Å; C195-S199 WeakPolarHBondContact O-CB 3.27Å; C195-S199 PolarHBondContact O-N 2.52Å; C195-S199 PolarHBondContact O-OG 3.3Å; F196-S199 PolarHBondContact O-N 2.92Å; I197-S199 VanDerWaalsContact C-N 3.28Å; I197-S199 PolarHBondContact O-N 3.16Å; S199-Y202 PolarHBondContact O-N 2.81Å; S199-I203 WeakPolarHBondContact O-CG1 3.47Å; S199-I203 PolarHBondContact O-N 2.97Å
200F95.3Very high95.4Very high113 Ų11341.7 Ų41.750%0.49623%0.225SC..Hα-helixtrans-64.6-41.3175.5-73.8-79.4000112.5F196 I197 T198 Y202 I203 V204F196-F200 HydrophobicContact CD1-CD2 4.31Å; F196-F200 AromaticContact CD1-CE2 3.83Å; F196-F200 HydrophobicContact CD1-CE2 3.83Å; F196-F200 HydrophobicContact CD2-CE2 4.19Å; F196-F200 HydrophobicContact CE1-CD2 4.23Å; F196-F200 AromaticContact CE1-CE2 3.43Å; F196-F200 HydrophobicContact CE1-CE2 3.43Å; F196-F200 VanDerWaalsContact CE1-CE2 3.43Å; F196-F200 HydrophobicContact CE1-CZ 4.24Å; F196-F200 AromaticContact CE2-CE2 3.81Å; F196-F200 HydrophobicContact CE2-CE2 3.81Å; F196-F200 HydrophobicContact CE2-CZ 4.32Å; F196-F200 HydrophobicContact CG-CE2 4.21Å; F196-F200 AromaticContact CZ-CE2 3.42Å; F196-F200 HydrophobicContact CZ-CE2 3.42Å; F196-F200 VanDerWaalsContact CZ-CE2 3.42Å; F196-F200 AromaticContact CZ-CZ 3.89Å; F196-F200 HydrophobicContact CZ-CZ 3.89Å; F196-F200 VanDerWaalsContact O-CD2 3.23Å; F196-F200 WeakPolarHBondContact O-CD2 3.37Å; F196-F200 PolarHBondContact O-N 3.46Å; I197-F200 PolarHBondContact O-N 2.82Å; T198-F200 PolarHBondContact O-N 3.2Å; F200-Y202 VanDerWaalsContact C-N 3.31Å; F200-Y202 PolarHBondContact O-N 3.39Å; F200-I203 PolarHBondContact O-N 3.4Å; F200-V204 PolarHBondContact O-N 2.84Å
201I95.8Very high94.9Very high50 Ų5043.1 Ų43.126%0.25623%0.233SC..Hα-helixtrans-64.4-40177.2-63.5170.9000110.2L17 F20 I197 T198 V204 F205L17-I201 HydrophobicContact CD2-CG2 4.13Å; F20-I201 HydrophobicContact CD1-CG2 3.98Å; F20-I201 HydrophobicContact CE1-CB 4.23Å; F20-I201 HydrophobicContact CE1-CD1 3.56Å; F20-I201 HydrophobicContact CE1-CG1 4.49Å; F20-I201 HydrophobicContact CE1-CG2 3.77Å; F20-I201 HydrophobicContact CE2-CD1 4.49Å; F20-I201 HydrophobicContact CZ-CD1 3.48Å; F20-I201 VanDerWaalsContact CZ-CD1 3.48Å; I197-I201 HydrophobicContact CG2-CD1 3.99Å; I197-I201 PolarHBondContact O-N 3.49Å; T198-I201 PolarHBondContact O-N 3.26Å; I201-V204 WeakPolarHBondContact O-CB 3.05Å; I201-V204 PolarHBondContact O-N 2.99Å; I201-F205 PolarHBondContact O-N 3.39Å
202Y96.1Very high94.3Very high3 Ų344.2 Ų44.21%0.01224%0.239CC..Hα-helixtrans-69.8-33.4-179.3-65.6-2.8000112.4F20 L21 T24 L90 E93 T94 T198 S199 F200 V204 F205 I206F20-Y202 HydrophobicContact CE1-CE1 4.49Å; L21-Y202 HydrophobicContact CB-CE1 4.37Å; L21-Y202 HydrophobicContact CD1-CE1 3.76Å; L21-Y202 HydrophobicContact CD1-CE2 3.77Å; L21-Y202 WeakPolarHBondContact CD1-OH 3.43Å; T24-Y202 PolarHBondContact OG1-OH 2.91Å; L90-Y202 HydrophobicContact CD1-CD1 4.37Å; L90-Y202 HydrophobicContact CD1-CD2 3.96Å; L90-Y202 HydrophobicContact CD1-CG 3.89Å; E93-Y202 HydrophobicContact CG-CE2 4.11Å; E93-Y202 WeakPolarHBondContact OE1-CE2 3.46Å; T94-Y202 WeakPolarHBondContact OG1-CB 3.32Å; T198-Y202 WeakPolarHBondContact O-CB 3.36Å; T198-Y202 WeakPolarHBondContact O-CD1 3.46Å; T198-Y202 PolarHBondContact O-N 3.07Å; S199-Y202 PolarHBondContact O-N 2.81Å; F200-Y202 VanDerWaalsContact C-N 3.31Å; F200-Y202 PolarHBondContact O-N 3.39Å; Y202-V204 VanDerWaalsContact C-N 3.3Å; Y202-V204 PolarHBondContact O-N 3.1Å; Y202-F205 CarbonylContact O-C 3.53Å; Y202-F205 WeakPolarHBondContact O-CB 3.31Å; Y202-F205 PolarHBondContact O-N 2.83Å; Y202-F205 VanDerWaalsContact O-N 3.11Å; Y202-I206 VanDerWaalsContact O-CG1 3.26Å; Y202-I206 WeakPolarHBondContact O-CG1 3.24Å; Y202-I206 PolarHBondContact O-N 3.45Å
203I96.5Very high93.7Very high92 Ų9244.6 Ų44.647%0.47224%0.24SC..Hα-helixtrans-57.8-45.8171.2-69.4165.7000110.7T94 S199 F200 F205 I206 G207T94-I203 HydrophobicContact CG2-CG1 3.87Å; S199-I203 WeakPolarHBondContact O-CG1 3.47Å; S199-I203 PolarHBondContact O-N 2.97Å; F200-I203 PolarHBondContact O-N 3.4Å; I203-F205 VanDerWaalsContact C-N 3.33Å; I203-I206 PolarHBondContact O-N 3.43Å; I203-G207 PolarHBondContact O-N 3.03Å
204V95.1Very high93.2Very high95 Ų9546.7 Ų46.758%0.57624%0.243SC*.Hα-helixtrans-63.5-42.5174.9178.70000110.3F200 I201 Y202 I206 G207 V208F200-V204 PolarHBondContact O-N 2.84Å; I201-V204 WeakPolarHBondContact O-CB 3.05Å; I201-V204 PolarHBondContact O-N 2.99Å; Y202-V204 VanDerWaalsContact C-N 3.3Å; Y202-V204 PolarHBondContact O-N 3.1Å; V204-I206 PolarHBondContact O-N 3.37Å; V204-G207 PolarHBondContact O-N 2.99Å; V204-G207 VanDerWaalsContact O-N 3.16Å; V204-V208 WeakPolarHBondContact O-CG2 3.2Å; V204-V208 PolarHBondContact O-N 3.26Å
205F96.8Very high92.5Very high1 Ų148.5 Ų48.50%0.00425%0.25CC..Hα-helixtrans-63-41.8179.6-171.7-161.4000112.5F14 L17 N18 L21 H86 L90 I201 Y202 I203 G207 V208 S209F14-F205 AromaticContact CD2-CE2 3.55Å; F14-F205 HydrophobicContact CD2-CE2 3.55Å; F14-F205 HydrophobicContact CD2-CZ 4.24Å; F14-F205 AromaticContact CE2-CE2 3.71Å; F14-F205 HydrophobicContact CE2-CE2 3.71Å; F14-F205 HydrophobicContact CE2-CZ 4.02Å; F14-F205 HydrophobicContact CG-CE2 4.05Å; F14-F205 HydrophobicContact CZ-CE2 4.34Å; F14-F205 HydrophobicContact CZ-CZ 4.23Å; L17-F205 HydrophobicContact CB-CB 4.43Å; L17-F205 HydrophobicContact CB-CD1 4.06Å; L17-F205 HydrophobicContact CB-CD2 3.51Å; L17-F205 HydrophobicContact CB-CE1 4.18Å; L17-F205 HydrophobicContact CB-CE2 3.65Å; L17-F205 HydrophobicContact CB-CG 3.74Å; L17-F205 HydrophobicContact CB-CZ 4.01Å; L17-F205 HydrophobicContact CD1-CB 4.02Å; L17-F205 HydrophobicContact CD1-CD2 3.6Å; L17-F205 HydrophobicContact CD1-CE2 4.37Å; L17-F205 HydrophobicContact CD1-CG 4.01Å; L17-F205 HydrophobicContact CG-CD2 4.2Å; L17-F205 HydrophobicContact CG-CG 4.43Å; N18-F205 HydrophobicContact CB-CE1 4.45Å; N18-F205 HydrophobicContact CB-CZ 3.86Å; L21-F205 HydrophobicContact CB-CE1 4.28Å; L21-F205 HydrophobicContact CD2-CE1 4.01Å; H86-F205 AromaticContact CE1-CE1 3.92Å; H86-F205 AromaticContact CE1-CZ 3.79Å; H86-F205 AromaticContact NE2-CE1 3.94Å; H86-F205 AromaticContact NE2-CZ 3.56Å; L90-F205 HydrophobicContact CD1-CD1 4.1Å; L90-F205 HydrophobicContact CD2-CB 4.19Å; L90-F205 HydrophobicContact CD2-CD1 3.52Å; L90-F205 HydrophobicContact CD2-CE1 3.98Å; L90-F205 HydrophobicContact CD2-CG 3.85Å; L90-F205 HydrophobicContact CG-CD1 4.47Å; I201-F205 PolarHBondContact O-N 3.39Å; Y202-F205 CarbonylContact O-C 3.53Å; Y202-F205 WeakPolarHBondContact O-CB 3.31Å; Y202-F205 PolarHBondContact O-N 2.83Å; Y202-F205 VanDerWaalsContact O-N 3.11Å; I203-F205 VanDerWaalsContact C-N 3.33Å; F205-G207 VanDerWaalsContact C-N 3.27Å; F205-G207 PolarHBondContact O-N 3.35Å; F205-V208 WeakPolarHBondContact O-CB 3.24Å; F205-V208 PolarHBondContact O-N 2.94Å; F205-V208 VanDerWaalsContact O-N 3.14Å; F205-S209 WeakPolarHBondContact CE2-OG 3.39Å; F205-S209 WeakPolarHBondContact O-CB 3.44Å; F205-S209 PolarHBondContact O-N 3.02Å; F205-S209 PolarHBondContact O-OG 3.27Å
206I95.9Very high91.5Very high26 Ų2650.6 Ų50.613%0.13326%0.264CS..Hα-helixtrans-56.2-44.7173.3-70163.7000110.2L90 Y202 I203 V204 S209 I210L90-I206 HydrophobicContact CB-CG1 4.42Å; L90-I206 HydrophobicContact CD2-CG1 3.6Å; L90-I206 HydrophobicContact CG-CD1 4.3Å; L90-I206 HydrophobicContact CG-CG1 3.71Å; Y202-I206 VanDerWaalsContact O-CG1 3.26Å; Y202-I206 WeakPolarHBondContact O-CG1 3.24Å; Y202-I206 PolarHBondContact O-N 3.45Å; I203-I206 PolarHBondContact O-N 3.43Å; V204-I206 PolarHBondContact O-N 3.37Å; I206-S209 PolarHBondContact O-N 2.92Å; I206-I210 HydrophobicContact CG2-CD1 3.71Å; I206-I210 HydrophobicContact CG2-CG1 4.37Å; I206-I210 VanDerWaalsContact O-CG1 3.32Å; I206-I210 WeakPolarHBondContact O-CG1 3.45Å; I206-I210 PolarHBondContact O-N 3.31Å
207G93.4Very high90.8Very high33 Ų3349.1 Ų49.134%0.3426%0.26SS..Hα-helixtrans-59.1-47.7175.400000112.8I203 V204 F205 S209 I210 L211I203-G207 PolarHBondContact O-N 3.03Å; V204-G207 PolarHBondContact O-N 2.99Å; V204-G207 VanDerWaalsContact O-N 3.16Å; F205-G207 VanDerWaalsContact C-N 3.27Å; F205-G207 PolarHBondContact O-N 3.35Å; G207-S209 VanDerWaalsContact C-N 3.27Å; G207-S209 PolarHBondContact O-N 3.09Å; G207-I210 PolarHBondContact O-N 2.97Å; G207-L211 VanDerWaalsContact O-CG 3.27Å; G207-L211 WeakPolarHBondContact O-CG 3.49Å; G207-L211 PolarHBondContact O-N 2.75Å; G207-L211 VanDerWaalsContact O-N 3.07Å
208V92Very high90Very high9 Ų950.6 Ų50.66%0.05526%0.263CS..Hα-helixtrans-58.7-42.4174.3174.70000111W10 V13 F14 L17 V204 F205 L211 N212W10-V208 HydrophobicContact CE3-CG1 4.16Å; W10-V208 HydrophobicContact CE3-CG2 4.28Å; W10-V208 HydrophobicContact CZ3-CG2 3.92Å; V13-V208 HydrophobicContact CG1-CG1 4.22Å; V13-V208 HydrophobicContact CG1-CG2 4.23Å; F14-V208 HydrophobicContact CB-CG1 4.32Å; L17-V208 HydrophobicContact CD1-CB 4.37Å; L17-V208 HydrophobicContact CD1-CG2 4.08Å; V204-V208 WeakPolarHBondContact O-CG2 3.2Å; V204-V208 PolarHBondContact O-N 3.26Å; F205-V208 WeakPolarHBondContact O-CB 3.24Å; F205-V208 PolarHBondContact O-N 2.94Å; F205-V208 VanDerWaalsContact O-N 3.14Å; V208-L211 PolarHBondContact O-N 2.83Å; V208-N212 PolarHBondContact O-N 3.31Å
209S91.8Very high88.6Confident0 Ų053.9 Ų53.90%030%0.298CS..Hα-helixtrans-66-49.1-177.5-640000111.3F14 Y83 F205 I206 G207 L211 N212 L213F14-S209 VanDerWaalsContact CE2-OG 3.26Å; F14-S209 WeakPolarHBondContact CE2-OG 3.41Å; Y83-S209 WeakPolarHBondContact CE1-O 3.48Å; Y83-S209 WeakPolarHBondContact OH-CA 3.38Å; Y83-S209 PolarHBondContact OH-O 3.45Å; F205-S209 WeakPolarHBondContact CE2-OG 3.39Å; F205-S209 WeakPolarHBondContact O-CB 3.44Å; F205-S209 PolarHBondContact O-N 3.02Å; F205-S209 PolarHBondContact O-OG 3.27Å; I206-S209 PolarHBondContact O-N 2.92Å; G207-S209 VanDerWaalsContact C-N 3.27Å; G207-S209 PolarHBondContact O-N 3.09Å; S209-L211 VanDerWaalsContact C-N 3.3Å; S209-L211 PolarHBondContact O-N 3.1Å; S209-N212 PolarHBondContact O-N 3.18Å; S209-N212 VanDerWaalsContact O-N 3.14Å; S209-L213 PolarHBondContact O-N 3.31Å
210I90.9Very high86.8Confident89 Ų8959.4 Ų59.446%0.45632%0.322SS..Hα-helixtrans-58.6-41.7176.5-67.1168000111.4V87 I206 G207 N212 L213 H214V87-I210 HydrophobicContact CG1-CG1 4.15Å; I206-I210 HydrophobicContact CG2-CD1 3.71Å; I206-I210 HydrophobicContact CG2-CG1 4.37Å; I206-I210 VanDerWaalsContact O-CG1 3.32Å; I206-I210 WeakPolarHBondContact O-CG1 3.45Å; I206-I210 PolarHBondContact O-N 3.31Å; G207-I210 PolarHBondContact O-N 2.97Å; I210-N212 VanDerWaalsContact C-N 3.35Å; I210-N212 PolarHBondContact O-N 3.28Å; I210-L213 PolarHBondContact O-N 3.17Å; I210-H214 WeakPolarHBondContact O-CB 3.49Å; I210-H214 PolarHBondContact O-N 2.98Å
211L87.4Confident84.4Confident82 Ų8258.6 Ų58.643%0.42932%0.322SS..Hα-helixtrans-61.5-41.7176.9-73.4173000112.6W10 G207 V208 S209 K215W10-L211 HydrophobicContact CH2-CD1 4.43Å; G207-L211 VanDerWaalsContact O-CG 3.27Å; G207-L211 WeakPolarHBondContact O-CG 3.49Å; G207-L211 PolarHBondContact O-N 2.75Å; G207-L211 VanDerWaalsContact O-N 3.07Å; V208-L211 PolarHBondContact O-N 2.83Å; S209-L211 VanDerWaalsContact C-N 3.3Å; S209-L211 PolarHBondContact O-N 3.1Å; L211-K215 WeakPolarHBondContact O-CG 3.33Å; L211-K215 PolarHBondContact O-N 3.49Å; L211-K215 VanDerWaalsContact O-N 3.16Å
212N83.9Confident82.1Confident24 Ų2462 Ų6213%0.12835%0.348CS..Hα-helixtrans-69-40177.3-82.7-22000112W10 Y83 V208 S209 I210 K215 S216W10-N212 WeakPolarHBondContact CB-OD1 3.37Å; W10-N212 PolarHBondContact O-ND2 3.02Å; W10-N212 VanDerWaalsContact O-ND2 3.16Å; Y83-N212 WeakPolarHBondContact OH-CB 3.2Å; V208-N212 PolarHBondContact O-N 3.31Å; S209-N212 PolarHBondContact O-N 3.18Å; S209-N212 VanDerWaalsContact O-N 3.14Å; I210-N212 VanDerWaalsContact C-N 3.35Å; I210-N212 PolarHBondContact O-N 3.28Å; N212-K215 PolarHBondContact O-N 3.09Å; N212-S216 PolarHBondContact O-N 3.42Å
213L84.7Confident79.7Confident26 Ų2666.9 Ų66.914%0.13638%0.383CS..Hα-helixtrans-59.4-48.7173.7-177.457000111.6N80 Y83 I84 S209 I210 K215 S216 I217N80-L213 HydrophobicContact CB-CD1 4.47Å; Y83-L213 HydrophobicContact CD1-CB 3.64Å; Y83-L213 HydrophobicContact CD1-CD1 3.75Å; Y83-L213 HydrophobicContact CD1-CD2 4.19Å; Y83-L213 HydrophobicContact CD1-CG 4.05Å; Y83-L213 HydrophobicContact CE1-CB 3.59Å; Y83-L213 HydrophobicContact CE1-CG 4.48Å; Y83-L213 HydrophobicContact CG-CD1 4.19Å; I84-L213 HydrophobicContact CG1-CD1 4.4Å; I84-L213 HydrophobicContact CG1-CD2 3.87Å; S209-L213 PolarHBondContact O-N 3.31Å; I210-L213 PolarHBondContact O-N 3.17Å; L213-K215 VanDerWaalsContact C-N 3.33Å; L213-K215 PolarHBondContact O-N 2.91Å; L213-S216 WeakPolarHBondContact O-CB 3.46Å; L213-S216 PolarHBondContact O-N 3.07Å; L213-S216 VanDerWaalsContact O-N 3.15Å; L213-I217 HydrophobicContact CD1-CD1 4.04Å; L213-I217 HydrophobicContact CD1-CG1 4.36Å; L213-I217 HydrophobicContact CG-CD1 3.96Å; L213-I217 WeakPolarHBondContact O-CG1 3.29Å; L213-I217 PolarHBondContact O-N 3.12Å
214H85Confident77Confident99 Ų9967.3 Ų67.346%0.45839%0.393SS..Hα-helixtrans-62.5-39.1-178.7-179.5-117000112.3I210 I217 K218I210-H214 WeakPolarHBondContact O-CB 3.49Å; I210-H214 PolarHBondContact O-N 2.98Å; H214-I217 PolarHBondContact O-N 3.45Å; H214-K218 WeakPolarHBondContact CE1-CE 3.37Å; H214-K218 PolarHBondContact CE1-NZ 3.43Å; H214-K218 VanDerWaalsContact NE2-CE 3.29Å; H214-K218 WeakPolarHBondContact NE2-CE 3.4Å; H214-K218 PolarHBondContact O-N 3.2Å
215K80.9Confident74.1Confident72 Ų7271.3 Ų71.331%0.31343%0.426SS..Hα-helixtrans-65.4-40.9173.3-73.6176.8-176.6173.70112.4L211 N212 L213 I217 K218 G219L211-K215 WeakPolarHBondContact O-CG 3.33Å; L211-K215 PolarHBondContact O-N 3.49Å; L211-K215 VanDerWaalsContact O-N 3.16Å; N212-K215 PolarHBondContact O-N 3.09Å; L213-K215 VanDerWaalsContact C-N 3.33Å; L213-K215 PolarHBondContact O-N 2.91Å; K215-I217 VanDerWaalsContact C-N 3.35Å; K215-K218 PolarHBondContact O-N 2.87Å; K215-G219 PolarHBondContact O-N 3.31Å
216S78.1Confident73Confident43 Ų4374.8 Ų74.830%0.30145%0.447SS..Hα-helixtrans-60.9-42.8176.7-177.50000112N80 N212 L213 K220N80-S216 PolarHBondContact OD1-OG 2.82Å; N212-S216 PolarHBondContact O-N 3.42Å; L213-S216 WeakPolarHBondContact O-CB 3.46Å; L213-S216 PolarHBondContact O-N 3.07Å; L213-S216 VanDerWaalsContact O-N 3.15Å; S216-K220 PolarHBondContact O-N 3.49Å
217I79.9Confident71.8Confident70 Ų7077.4 Ų77.436%0.35946%0.463SS..Hα-helixtrans-66.5-47.7177.6-65.6168000110.7L213 H214 K215 G219 K220 N221L213-I217 HydrophobicContact CD1-CD1 4.04Å; L213-I217 HydrophobicContact CD1-CG1 4.36Å; L213-I217 HydrophobicContact CG-CD1 3.96Å; L213-I217 WeakPolarHBondContact O-CG1 3.29Å; L213-I217 PolarHBondContact O-N 3.12Å; H214-I217 PolarHBondContact O-N 3.45Å; K215-I217 VanDerWaalsContact C-N 3.35Å; I217-G219 VanDerWaalsContact C-N 3.33Å; I217-G219 PolarHBondContact O-N 2.92Å; I217-K220 PolarHBondContact O-N 3.36Å; I217-K220 VanDerWaalsContact O-N 3.09Å; I217-N221 PolarHBondContact O-N 2.99Å
218K78.1Confident70.6Confident130 Ų13079.8 Ų79.857%0.56547%0.47SS*.Hα-helixtrans-61.2-38.8178.3-78.8-171.2171-1760113.1H214 K215 K220 N221H214-K218 WeakPolarHBondContact CE1-CE 3.37Å; H214-K218 PolarHBondContact CE1-NZ 3.43Å; H214-K218 VanDerWaalsContact NE2-CE 3.29Å; H214-K218 WeakPolarHBondContact NE2-CE 3.4Å; H214-K218 PolarHBondContact O-N 3.2Å; K215-K218 PolarHBondContact O-N 2.87Å; K218-K220 PolarHBondContact O-N 3.2Å; K218-N221 PolarHBondContact O-N 2.93Å
219G66.6Low69.4Low73 Ų7384 Ų8475%0.75349%0.494SS*.Hα-helixtrans-67.1-15.7176.700000114.6K215 I217K215-G219 PolarHBondContact O-N 3.31Å; I217-G219 VanDerWaalsContact C-N 3.33Å; I217-G219 PolarHBondContact O-N 2.92Å
220K57.8Low68Low118 Ų11889.3 Ų89.351%0.51353%0.525SS..Hα-helixtrans-95.2-16.2175.8-79-173.9-1791730114.2K78 S216 I217 K218 P222K78-K220 PolarHBondContact O-NZ 3.34Å; S216-K220 PolarHBondContact O-N 3.49Å; I217-K220 PolarHBondContact O-N 3.36Å; I217-K220 VanDerWaalsContact O-N 3.09Å; K218-K220 PolarHBondContact O-N 3.2Å; K220-P222 WeakPolarHBondContact O-CD 3.24Å
221N45.1Very low66.4Low95 Ų9589.3 Ų89.351%0.50853%0.53SS..  trans-75.4109.1178-83.30.1000109.8I217 K218 S223I217-N221 PolarHBondContact O-N 2.99Å; K218-N221 PolarHBondContact O-N 2.93Å; N221-S223 PolarHBondContact O-N 3.41Å
222P48.8Very low64.9Low122 Ų12289.8 Ų89.879%0.79254%0.537SS*.THydrogen-bonded Turntrans-81-0.1179.3-5.626.3000113K220K220-P222 WeakPolarHBondContact O-CD 3.24Å
223S45.3Very low63.5Low106 Ų10694.8 Ų94.874%0.74157%0.569SS**THydrogen-bonded Turntrans-9312.6-17553.90000114.9N221N221-S223 PolarHBondContact O-N 3.41Å
224S38.5Very low61.7Low100 Ų100100.6 Ų100.670%0.69961%0.605SS**  trans-113.861.5166.871.60000110.9
225S36.3Very low59.6Low179 Ų179100.7 Ų100.7100%1.25262%0.618SS**  trans-152.60157.4-69.10000106.6

Retrieved 225 of 225 residues in 78.7 ms (Link to these results)

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