G4VJ18_SCHMA Loading...

Putative fgf receptor activating protein

AlphaFold DB , UniProt , Accession G4VJ18, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 258 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
1M40.2Very low77.9Confident247 Ų24789.4 Ų89.4100%1.21746%0.459SS*.  068.90-162.916890.100108.6
2L50.4Low79.2Confident166 Ų16688.6 Ų88.687%0.86946%0.455SS*.  trans-81.4126.2-178.6-92.4141.4000108I4L2-I4 PolarHBondContact O-N 2.89Å
3L58Low80.4Confident169 Ų16985.8 Ų85.889%0.88545%0.453SS*.  trans-34.6111.1177.4-119.287.7000110.8G5L3-G5 PolarHBondContact O-N 3.19Å
4I68.5Low81.4Confident166 Ų16680.3 Ų80.385%0.85143%0.426SS*.  trans-76.866.9173.9-55.2169.8000106.9L2L2-I4 PolarHBondContact O-N 2.89Å
5G85.4Confident82.1Confident12 Ų1276 Ų7612%0.12441%0.405CS..  trans-76.4152.5174.700000110.9L3 M230L3-G5 PolarHBondContact O-N 3.19Å; G5-M230 VanDerWaalsContact O-CG 3.28Å; G5-M230 WeakPolarHBondContact O-CG 3.4Å; G5-M230 PolarHBondContact O-N 3.44Å
6T92.8Very high82.9Confident30 Ų3074.9 Ų74.918%0.18441%0.405CS..BIsolated β-bridgetrans-113.9169.2168.373.20000110.3R8 H9 V10 D227 I228T6-R8 PolarHBondContact O-N 3.04Å; T6-R8 PolarHBondContact OG1-N 3.16Å; T6-H9 PolarHBondContact N-ND1 2.88Å; T6-H9 WeakPolarHBondContact O-CB 3.43Å; T6-H9 PolarHBondContact O-N 3.33Å; T6-H9 PolarHBondContact OG1-ND1 2.86Å; T6-V10 PolarHBondContact O-N 3.45Å; T6-D227 WeakPolarHBondContact CB-OD1 3.3Å; T6-D227 VanDerWaalsContact CB-OD2 3.31Å; T6-D227 WeakPolarHBondContact CB-OD2 3.21Å; T6-D227 VanDerWaalsContact OG1-CG 3.23Å; T6-D227 PolarHBondContact OG1-OD1 3Å; T6-D227 PolarHBondContact OG1-OD2 3.34Å; T6-I228 CarbonylContact C-O 3.38Å; T6-I228 WeakPolarHBondContact CA-O 3.41Å
7F92Very high83.7Confident3 Ų374.5 Ų74.51%0.01340%0.402CS..Hα-helixtrans-51.5-40.1173.7174-107.8000112.6H9 V10 C11 W73 I77 F225 D227 I228 M233 I243F7-H9 VanDerWaalsContact C-N 3.34Å; F7-H9 PolarHBondContact O-N 3.03Å; F7-V10 PolarHBondContact O-N 3.41Å; F7-C11 VanDerWaalsContact CE1-SG 3.56Å; F7-C11 WeakPolarHBondContact CZ-SG 3.43Å; F7-C11 PolarHBondContact O-N 3.5Å; F7-C11 PolarHBondContact O-SG 3.16Å; F7-W73 AromaticContact CD2-CH2 3.98Å; F7-W73 HydrophobicContact CD2-CH2 3.98Å; F7-W73 AromaticContact CD2-CZ2 3.87Å; F7-W73 HydrophobicContact CD2-CZ2 3.87Å; F7-W73 AromaticContact CE2-CH2 3.85Å; F7-W73 HydrophobicContact CE2-CH2 3.85Å; F7-W73 AromaticContact CE2-CZ2 3.5Å; F7-W73 HydrophobicContact CE2-CZ2 3.5Å; F7-W73 VanDerWaalsContact CE2-CZ2 3.5Å; F7-W73 HydrophobicContact CZ-CZ2 4.34Å; F7-I77 HydrophobicContact CE2-CG1 4.48Å; F7-I77 HydrophobicContact CZ-CD1 4.19Å; F7-I77 HydrophobicContact CZ-CG1 4.19Å; F7-F225 HydrophobicContact CD1-CB 4.48Å; F7-F225 HydrophobicContact CE1-CB 3.84Å; F7-F225 HydrophobicContact CE1-CD2 4.31Å; F7-F225 HydrophobicContact CE1-CG 4.39Å; F7-F225 HydrophobicContact CZ-CB 4.43Å; F7-F225 HydrophobicContact CZ-CD2 4.36Å; F7-D227 PolarHBondContact N-OD1 3.41Å; F7-D227 VanDerWaalsContact N-OD1 3.12Å; F7-I228 HydrophobicContact CB-CG1 4.17Å; F7-I228 PolarHBondContact N-O 3.26Å; F7-M233 HydrophobicContact CB-CE 3.66Å; F7-M233 HydrophobicContact CD2-CE 3.67Å; F7-M233 HydrophobicContact CD2-CG 4.48Å; F7-M233 HydrophobicContact CD2-SD 4.07Å; F7-M233 HydrophobicContact CG-CE 4.15Å; F7-I243 HydrophobicContact CD2-CD1 3.58Å; F7-I243 HydrophobicContact CE2-CD1 3.64Å; F7-I243 HydrophobicContact CG-CD1 4.14Å; F7-I243 HydrophobicContact CZ-CD1 4.26Å
8R91.1Very high84.4Confident39 Ų3970.7 Ų70.715%0.14738%0.382CS..Hα-helixtrans-59.8-43.2176.6-171.565.959.7-136.8-9.3112.3T6 V10 C11 I12 Y219 S222 N223 D227T6-R8 PolarHBondContact O-N 3.04Å; T6-R8 PolarHBondContact OG1-N 3.16Å; R8-V10 VanDerWaalsContact C-N 3.33Å; R8-V10 PolarHBondContact O-N 3.42Å; R8-C11 WeakPolarHBondContact O-CB 3.47Å; R8-C11 PolarHBondContact O-N 3.2Å; R8-I12 HydrophobicContact CG-CD1 4.1Å; R8-I12 WeakPolarHBondContact O-CG1 3.11Å; R8-I12 PolarHBondContact O-N 3.31Å; R8-Y219 WeakPolarHBondContact CD-OH 3.4Å; R8-S222 PolarHBondContact NH1-O 3.06Å; R8-S222 PolarHBondContact NH1-OG 3.14Å; R8-S222 PolarHBondContact NH2-O 2.98Å; R8-N223 PolarHBondContact NE-OD1 3.35Å; R8-N223 VanDerWaalsContact NH1-CA 3.33Å; R8-N223 PolarHBondContact NH1-OD1 3.47Å; R8-D227 WeakPolarHBondContact CB-OD1 3.33Å; R8-D227 WeakPolarHBondContact CB-OD2 3.27Å; R8-D227 PolarHBondContact N-OD1 3.06Å
9H92.4Very high85.1Confident112 Ų11267.7 Ų67.752%0.51937%0.368SS..Hα-helixtrans-62.3-41.7-179.6-67.287.4000111.6T6 F7 I12 A13T6-H9 PolarHBondContact N-ND1 2.88Å; T6-H9 WeakPolarHBondContact O-CB 3.43Å; T6-H9 PolarHBondContact O-N 3.33Å; T6-H9 PolarHBondContact OG1-ND1 2.86Å; F7-H9 VanDerWaalsContact C-N 3.34Å; F7-H9 PolarHBondContact O-N 3.03Å; H9-I12 PolarHBondContact O-N 3.27Å; H9-A13 WeakPolarHBondContact O-CB 3.4Å; H9-A13 PolarHBondContact O-N 3.16Å
10V92.9Very high85.7Confident39 Ų3965.9 Ų65.924%0.23637%0.365CS..Hα-helixtrans-66.2-41.2175.3-178.40000111.3T6 F7 R8 I12 A13 A14 W73 M230 M233T6-V10 PolarHBondContact O-N 3.45Å; F7-V10 PolarHBondContact O-N 3.41Å; R8-V10 VanDerWaalsContact C-N 3.33Å; R8-V10 PolarHBondContact O-N 3.42Å; V10-I12 VanDerWaalsContact C-N 3.32Å; V10-I12 PolarHBondContact O-N 3.28Å; V10-A13 PolarHBondContact O-N 3.47Å; V10-A14 VanDerWaalsContact O-CB 3.31Å; V10-A14 WeakPolarHBondContact O-CB 3.5Å; V10-A14 PolarHBondContact O-N 2.96Å; V10-W73 HydrophobicContact CB-CH2 3.95Å; V10-W73 HydrophobicContact CB-CZ2 4Å; V10-W73 HydrophobicContact CG1-CD2 4.13Å; V10-W73 HydrophobicContact CG1-CE3 3.91Å; V10-W73 HydrophobicContact CG1-CH2 3.4Å; V10-W73 HydrophobicContact CG1-CZ2 3.62Å; V10-W73 HydrophobicContact CG1-CZ3 3.55Å; V10-M230 HydrophobicContact CB-SD 4.44Å; V10-M230 HydrophobicContact CG2-CE 3.64Å; V10-M230 HydrophobicContact CG2-SD 3.19Å; V10-M230 WeakPolarHBondContact CG2-SD 3.5Å; V10-M233 HydrophobicContact CG2-CE 4.46Å
11C93.2Very high86.2Confident0 Ų063 Ų630%035%0.35CS..Hα-helixtrans-59.2-43.6175.4-66.20000112.3F7 R8 S15 W73 Y219 S222F7-C11 VanDerWaalsContact CE1-SG 3.56Å; F7-C11 WeakPolarHBondContact CZ-SG 3.43Å; F7-C11 PolarHBondContact O-N 3.5Å; F7-C11 PolarHBondContact O-SG 3.16Å; R8-C11 WeakPolarHBondContact O-CB 3.47Å; R8-C11 PolarHBondContact O-N 3.2Å; C11-S15 WeakPolarHBondContact O-CB 3.5Å; C11-S15 PolarHBondContact O-N 2.65Å; C11-S15 PolarHBondContact O-OG 3.19Å; C11-W73 VanDerWaalsContact SG-CZ2 3.53Å; C11-Y219 HydrophobicContact CB-CD2 4.28Å; C11-Y219 HydrophobicContact CB-CE2 4.24Å; C11-S222 VanDerWaalsContact SG-CB 3.55Å
12I93.7Very high88.9Confident80 Ų8051.4 Ų51.441%0.4129%0.293SS..Hα-helixtrans-62.1-51.1176.8-67.2168000109.7R8 H9 V10 A14 S15 S16 Y219R8-I12 HydrophobicContact CG-CD1 4.1Å; R8-I12 WeakPolarHBondContact O-CG1 3.11Å; R8-I12 PolarHBondContact O-N 3.31Å; H9-I12 PolarHBondContact O-N 3.27Å; V10-I12 VanDerWaalsContact C-N 3.32Å; V10-I12 PolarHBondContact O-N 3.28Å; I12-A14 PolarHBondContact O-N 3.2Å; I12-S15 PolarHBondContact O-N 3.28Å; I12-S16 VanDerWaalsContact O-CB 3.28Å; I12-S16 WeakPolarHBondContact O-CB 3.41Å; I12-S16 PolarHBondContact O-N 3.44Å; I12-S16 PolarHBondContact O-OG 3.47Å; I12-Y219 HydrophobicContact CB-CE2 4.48Å; I12-Y219 HydrophobicContact CG1-CD2 4.46Å; I12-Y219 HydrophobicContact CG1-CE2 3.47Å; I12-Y219 VanDerWaalsContact CG1-CE2 3.47Å; I12-Y219 WeakPolarHBondContact CG1-OH 3.33Å
13A94.3Very high91.1Very high52 Ų5247.8 Ų47.843%0.4327%0.273SS..Hα-helixtrans-58.1-52.7-179.500000111.4H9 V10 S15 S16 L17H9-A13 WeakPolarHBondContact O-CB 3.4Å; H9-A13 PolarHBondContact O-N 3.16Å; V10-A13 PolarHBondContact O-N 3.47Å; A13-S15 VanDerWaalsContact C-N 3.31Å; A13-S15 PolarHBondContact O-N 2.99Å; A13-S16 PolarHBondContact O-N 2.8Å; A13-S16 PolarHBondContact O-OG 2.93Å; A13-L17 PolarHBondContact O-N 3.46Å
14A94.7Very high92.9Very high9 Ų943.6 Ų43.67%0.07425%0.251CS..Hα-helixtrans-64.4-32.3-17900000113.6V10 I12 S70 W73V10-A14 VanDerWaalsContact O-CB 3.31Å; V10-A14 WeakPolarHBondContact O-CB 3.5Å; V10-A14 PolarHBondContact O-N 2.96Å; I12-A14 PolarHBondContact O-N 3.2Å; A14-S70 WeakPolarHBondContact O-CB 3.48Å; A14-S70 PolarHBondContact O-OG 3.32Å; A14-W73 HydrophobicContact CB-CB 3.79Å; A14-W73 VanDerWaalsContact CB-CD1 3.49Å; A14-W73 HydrophobicContact CB-CD2 4.2Å; A14-W73 HydrophobicContact CB-CG 3.53Å
15S92Very high94.1Very high16 Ų1635.7 Ų35.711%0.11221%0.211CC..Hα-helixtrans-78.9-29.6176.2-52.90000112.2C11 I12 A13 L17 I215C11-S15 WeakPolarHBondContact O-CB 3.5Å; C11-S15 PolarHBondContact O-N 2.65Å; C11-S15 PolarHBondContact O-OG 3.19Å; I12-S15 PolarHBondContact O-N 3.28Å; A13-S15 VanDerWaalsContact C-N 3.31Å; A13-S15 PolarHBondContact O-N 2.99Å; S15-L17 VanDerWaalsContact C-N 3.34Å; S15-I215 WeakPolarHBondContact O-CG2 3.43Å
16S94.2Very high94.5Very high59 Ų5935.8 Ų35.841%0.41321%0.209SC..Hα-helixtrans-74.8-21.8178.668.10000113.8I12 A13 A19 G20I12-S16 VanDerWaalsContact O-CB 3.28Å; I12-S16 WeakPolarHBondContact O-CB 3.41Å; I12-S16 PolarHBondContact O-N 3.44Å; I12-S16 PolarHBondContact O-OG 3.47Å; A13-S16 PolarHBondContact O-N 2.8Å; A13-S16 PolarHBondContact O-OG 2.93Å; S16-A19 PolarHBondContact O-N 3.35Å; S16-G20 PolarHBondContact O-N 3.39Å
17L96.7Very high94.5Very high68 Ų6839.5 Ų39.536%0.35623%0.227SC..Hα-helixtrans-56.5-53.4-178.3-79.3172.4000112.1A13 S15 A19 G20 A21 S66 I69A13-L17 PolarHBondContact O-N 3.46Å; S15-L17 VanDerWaalsContact C-N 3.34Å; L17-A19 VanDerWaalsContact C-N 3.32Å; L17-A19 PolarHBondContact O-N 2.97Å; L17-G20 PolarHBondContact O-N 3.17Å; L17-A21 WeakPolarHBondContact O-CB 3.43Å; L17-A21 PolarHBondContact O-N 3.36Å; L17-S66 PolarHBondContact O-OG 2.75Å; L17-I69 HydrophobicContact CD1-CB 4.01Å; L17-I69 HydrophobicContact CD1-CD1 4.41Å; L17-I69 HydrophobicContact CD1-CG2 3.48Å; L17-I69 VanDerWaalsContact CD1-CG2 3.48Å
18P96.9Very high94.6Very high5 Ų542.4 Ų42.43%0.03224%0.242CC..Hα-helixtrans-62.4-36.2177.4-27.436.4000113.7A21 L22 W63 S66 I67 I215P18-A21 PolarHBondContact O-N 3.2Å; P18-L22 WeakPolarHBondContact O-CB 3.5Å; P18-L22 PolarHBondContact O-N 2.84Å; P18-W63 WeakPolarHBondContact O-CZ3 3.31Å; P18-S66 WeakPolarHBondContact CA-OG 3.31Å; P18-I67 HydrophobicContact CB-CD1 3.97Å; P18-I67 HydrophobicContact CG-CD1 4.03Å; P18-I215 HydrophobicContact CB-CD1 3.94Å
19A96.9Very high94.5Very high15 Ų1540.5 Ų40.512%0.12424%0.235CC..Hα-helixtrans-64.5-45.5176.200000112S16 L17 L22 I23 F212 I215S16-A19 PolarHBondContact O-N 3.35Å; L17-A19 VanDerWaalsContact C-N 3.32Å; L17-A19 PolarHBondContact O-N 2.97Å; A19-L22 PolarHBondContact O-N 2.99Å; A19-I23 WeakPolarHBondContact O-CG1 3.48Å; A19-I23 PolarHBondContact O-N 3.18Å; A19-F212 HydrophobicContact CB-CD1 4.28Å; A19-F212 HydrophobicContact CB-CE1 3.57Å; A19-F212 HydrophobicContact CB-CZ 4.2Å; A19-I215 HydrophobicContact CB-CD1 4.11Å
20G97.2Very high94.5Very high30 Ų3038 Ų3831%0.30923%0.225SC..Hα-helixtrans-64.3-43.6175.300000111.9S16 L17 L22 I23 I24S16-G20 PolarHBondContact O-N 3.39Å; L17-G20 PolarHBondContact O-N 3.17Å; G20-L22 PolarHBondContact O-N 3.04Å; G20-I23 PolarHBondContact O-N 2.95Å; G20-I24 VanDerWaalsContact O-CG1 3.28Å; G20-I24 WeakPolarHBondContact O-CG1 3.37Å; G20-I24 PolarHBondContact O-N 3.07Å
21A97.1Very high94.3Very high5 Ų540.1 Ų40.14%0.04125%0.247CC..Hα-helixtrans-60.4-43.6176.100000111.9L17 P18 I23 I24 C25 I62 W63L17-A21 WeakPolarHBondContact O-CB 3.43Å; L17-A21 PolarHBondContact O-N 3.36Å; P18-A21 PolarHBondContact O-N 3.2Å; A21-I23 PolarHBondContact O-N 2.91Å; A21-I24 PolarHBondContact O-N 3.19Å; A21-C25 VanDerWaalsContact O-CB 3.28Å; A21-C25 WeakPolarHBondContact O-CB 3.4Å; A21-C25 PolarHBondContact O-N 3.41Å; A21-C25 PolarHBondContact O-SG 2.93Å; A21-I62 HydrophobicContact CB-CG2 4.06Å; A21-W63 HydrophobicContact CB-CE3 3.96Å; A21-W63 HydrophobicContact CB-CZ3 4.4Å
22L96.8Very high93.8Very high4 Ų443.9 Ų43.92%0.02127%0.27CS..Hα-helixtrans-55.1-52.9175.1175.964.6000110.9P18 A19 G20 I24 C25 V26 L49 W63 Y208 I211 F212P18-L22 WeakPolarHBondContact O-CB 3.5Å; P18-L22 PolarHBondContact O-N 2.84Å; A19-L22 PolarHBondContact O-N 2.99Å; G20-L22 PolarHBondContact O-N 3.04Å; L22-I24 PolarHBondContact O-N 3.41Å; L22-C25 PolarHBondContact O-N 3.34Å; L22-V26 HydrophobicContact CD1-CG2 4.03Å; L22-V26 WeakPolarHBondContact O-CB 3.44Å; L22-V26 VanDerWaalsContact O-CG2 3.25Å; L22-V26 WeakPolarHBondContact O-CG2 3.5Å; L22-V26 PolarHBondContact O-N 2.84Å; L22-L49 HydrophobicContact CD1-CB 4.23Å; L22-L49 HydrophobicContact CD1-CD1 3.75Å; L22-L49 HydrophobicContact CD1-CG 4.4Å; L22-W63 HydrophobicContact CB-CZ3 3.95Å; L22-Y208 HydrophobicContact CD1-CD1 3.98Å; L22-Y208 HydrophobicContact CD1-CE1 4.06Å; L22-Y208 HydrophobicContact CD2-CD1 4.27Å; L22-Y208 HydrophobicContact CD2-CG 4.32Å; L22-I211 HydrophobicContact CD1-CD1 4.48Å; L22-I211 HydrophobicContact CD2-CD1 4.45Å; L22-I211 HydrophobicContact CD2-CG2 4.32Å; L22-F212 HydrophobicContact CD2-CD2 4.36Å; L22-F212 HydrophobicContact CD2-CE2 3.77Å; L22-F212 HydrophobicContact CD2-CZ 4.36Å
23I96.1Very high93.2Very high90 Ų9047.3 Ų47.346%0.46228%0.282SS..Hα-helixtrans-60.3-48.5-178.4-64.9165.9000110.5A19 G20 A21 C25 V26 L27 F212A19-I23 WeakPolarHBondContact O-CG1 3.48Å; A19-I23 PolarHBondContact O-N 3.18Å; G20-I23 PolarHBondContact O-N 2.95Å; A21-I23 PolarHBondContact O-N 2.91Å; I23-C25 PolarHBondContact O-N 3.27Å; I23-V26 PolarHBondContact O-N 2.95Å; I23-L27 HydrophobicContact CG2-CD1 3.84Å; I23-L27 HydrophobicContact CG2-CG 4.33Å; I23-L27 WeakPolarHBondContact O-CB 3.39Å; I23-L27 VanDerWaalsContact O-CG 3.27Å; I23-L27 WeakPolarHBondContact O-CG 3.41Å; I23-L27 PolarHBondContact O-N 3.33Å; I23-F212 HydrophobicContact CD1-CZ 4.43Å
24I95.4Very high92.3Very high82 Ų8248.6 Ų48.642%0.42129%0.288SS..Hα-helixtrans-60.7-47.9179.7-68.2165.7000110.7G20 A21 L22 V26 L27 L28 I62G20-I24 VanDerWaalsContact O-CG1 3.28Å; G20-I24 WeakPolarHBondContact O-CG1 3.37Å; G20-I24 PolarHBondContact O-N 3.07Å; A21-I24 PolarHBondContact O-N 3.19Å; L22-I24 PolarHBondContact O-N 3.41Å; I24-V26 PolarHBondContact O-N 3.17Å; I24-L27 PolarHBondContact O-N 2.9Å; I24-L28 HydrophobicContact CG2-CD1 3.77Å; I24-L28 HydrophobicContact CG2-CG 4.28Å; I24-L28 WeakPolarHBondContact O-CB 3.3Å; I24-L28 VanDerWaalsContact O-CG 3.27Å; I24-L28 WeakPolarHBondContact O-CG 3.34Å; I24-L28 PolarHBondContact O-N 3.11Å; I24-I62 HydrophobicContact CG2-CD1 4.17Å
25C94.8Very high91.6Very high0 Ų048.7 Ų48.70%029%0.287CS..Hα-helixtrans-61.4-45.7-179.4-67.20000111.1A21 L22 I23 L28 C29 V53 Q59A21-C25 VanDerWaalsContact O-CB 3.28Å; A21-C25 WeakPolarHBondContact O-CB 3.4Å; A21-C25 PolarHBondContact O-N 3.41Å; A21-C25 PolarHBondContact O-SG 2.93Å; L22-C25 PolarHBondContact O-N 3.34Å; I23-C25 PolarHBondContact O-N 3.27Å; C25-L28 PolarHBondContact O-N 3.46Å; C25-C29 WeakPolarHBondContact O-CB 3.38Å; C25-C29 PolarHBondContact O-N 3.03Å; C25-V53 HydrophobicContact CB-CG1 4.17Å; C25-Q59 HydrophobicContact CB-CB 4.08Å; C25-Q59 HydrophobicContact CB-CG 4.23Å; C25-Q59 PolarHBondContact SG-O 2.75Å
26V93.8Very high91.2Very high13 Ų1348.7 Ų48.78%0.07929%0.287CS..Hα-helixtrans-62.5-46.7177.7172.30000111L22 I23 I24 L28 C29 L30 P47 A52 Y208L22-V26 HydrophobicContact CD1-CG2 4.03Å; L22-V26 WeakPolarHBondContact O-CB 3.44Å; L22-V26 VanDerWaalsContact O-CG2 3.25Å; L22-V26 WeakPolarHBondContact O-CG2 3.5Å; L22-V26 PolarHBondContact O-N 2.84Å; I23-V26 PolarHBondContact O-N 2.95Å; I24-V26 PolarHBondContact O-N 3.17Å; V26-L28 PolarHBondContact O-N 3.41Å; V26-C29 WeakPolarHBondContact O-CB 3.43Å; V26-C29 PolarHBondContact O-N 2.89Å; V26-C29 VanDerWaalsContact O-N 3.14Å; V26-L30 HydrophobicContact CG1-CD1 3.95Å; V26-L30 HydrophobicContact CG1-CG 4.28Å; V26-L30 VanDerWaalsContact O-CG 3.3Å; V26-L30 WeakPolarHBondContact O-CG 3.03Å; V26-L30 PolarHBondContact O-N 3.07Å; V26-P47 HydrophobicContact CG1-CG 4.36Å; V26-A52 HydrophobicContact CG2-CB 4.4Å; V26-Y208 HydrophobicContact CG2-CE1 4.17Å; V26-Y208 HydrophobicContact CG2-CE2 4.33Å; V26-Y208 VanDerWaalsContact CG2-OH 3.24Å; V26-Y208 WeakPolarHBondContact CG2-OH 3.27Å
27L93.5Very high90.4Very high109 Ų10951.8 Ų51.857%0.57129%0.293SS*.Hα-helixtrans-62.3-45.2178.9-71175.9000112.6I23 I24 C29 L30 A31I23-L27 HydrophobicContact CG2-CD1 3.84Å; I23-L27 HydrophobicContact CG2-CG 4.33Å; I23-L27 WeakPolarHBondContact O-CB 3.39Å; I23-L27 VanDerWaalsContact O-CG 3.27Å; I23-L27 WeakPolarHBondContact O-CG 3.41Å; I23-L27 PolarHBondContact O-N 3.33Å; I24-L27 PolarHBondContact O-N 2.9Å; L27-C29 PolarHBondContact O-N 2.88Å; L27-L30 PolarHBondContact O-N 3.27Å; L27-A31 PolarHBondContact O-N 3.27Å
28L92.5Very high89.5Confident63 Ų6349.6 Ų49.633%0.3328%0.282SS..Hα-helixtrans-60.1-37.2174.6-72.3173.6000111.4I24 C25 V26 A31 P58 Q59 I62I24-L28 HydrophobicContact CG2-CD1 3.77Å; I24-L28 HydrophobicContact CG2-CG 4.28Å; I24-L28 WeakPolarHBondContact O-CB 3.3Å; I24-L28 VanDerWaalsContact O-CG 3.27Å; I24-L28 WeakPolarHBondContact O-CG 3.34Å; I24-L28 PolarHBondContact O-N 3.11Å; C25-L28 PolarHBondContact O-N 3.46Å; V26-L28 PolarHBondContact O-N 3.41Å; L28-A31 PolarHBondContact O-N 3.34Å; L28-P58 HydrophobicContact CD1-CG 4.14Å; L28-Q59 HydrophobicContact CB-CG 3.9Å; L28-Q59 HydrophobicContact CD1-CG 4.09Å; L28-I62 HydrophobicContact CD1-CD1 4.32Å
29C90.7Very high88.7Confident0 Ų056.2 Ų56.20%031%0.313CS..Hα-helixtrans-70-40.5178.2-148.40000113.1C25 V26 L27 A31 T32 K33 C35 P47 A52C25-C29 WeakPolarHBondContact O-CB 3.38Å; C25-C29 PolarHBondContact O-N 3.03Å; V26-C29 WeakPolarHBondContact O-CB 3.43Å; V26-C29 PolarHBondContact O-N 2.89Å; V26-C29 VanDerWaalsContact O-N 3.14Å; L27-C29 PolarHBondContact O-N 2.88Å; C29-A31 VanDerWaalsContact C-N 3.29Å; C29-A31 PolarHBondContact O-N 3.22Å; C29-T32 PolarHBondContact O-N 3.31Å; C29-T32 PolarHBondContact O-OG1 3.35Å; C29-T32 VanDerWaalsContact O-OG1 3.1Å; C29-K33 PolarHBondContact O-N 3.35Å; C29-K33 VanDerWaalsContact O-N 3.1Å; C29-C35 VanDerWaalsContact C-SG 3.53Å; C29-C35 HydrophobicContact CB-CB 4.32Å; C29-C35 WeakPolarHBondContact CB-SG 3.46Å; C29-C35 PolarHBondContact O-SG 3.36Å; C29-C35 VanDerWaalsContact O-SG 3.39Å; C29-C35 WeakPolarHBondContact SG-CB 3.19Å; C29-C35 CovalentContact SG-SG 1.98Å; C29-C35 PolarHBondContact SG-SG 3.33Å; C29-P47 HydrophobicContact CB-CG 4.35Å; C29-A52 HydrophobicContact CB-CB 4.21Å; C29-A52 VanDerWaalsContact SG-CA 3.58Å
30L90.7Very high88Confident59 Ų5958.4 Ų58.431%0.30933%0.326SS..Hα-helixtrans-66.9-32175.4-68.8176.3000112.2V26 L27 T32 K33 V36 F45V26-L30 HydrophobicContact CG1-CD1 3.95Å; V26-L30 HydrophobicContact CG1-CG 4.28Å; V26-L30 VanDerWaalsContact O-CG 3.3Å; V26-L30 WeakPolarHBondContact O-CG 3.03Å; V26-L30 PolarHBondContact O-N 3.07Å; L27-L30 PolarHBondContact O-N 3.27Å; L30-T32 VanDerWaalsContact C-N 3.27Å; L30-T32 PolarHBondContact O-N 3.5Å; L30-K33 WeakPolarHBondContact O-CG 3.45Å; L30-K33 PolarHBondContact O-N 3.07Å; L30-V36 HydrophobicContact CD2-CG1 3.76Å; L30-F45 WeakPolarHBondContact CD2-O 3.37Å
31A89.6Confident87Confident84 Ų8458 Ų5869%0.69432%0.318SS*.Hα-helixtrans-62.2-34175.800000112.6L27 L28 C29L27-A31 PolarHBondContact O-N 3.27Å; L28-A31 PolarHBondContact O-N 3.34Å; C29-A31 VanDerWaalsContact C-N 3.29Å; C29-A31 PolarHBondContact O-N 3.22Å
32T83.3Confident86.1Confident78 Ų7862.4 Ų62.448%0.47934%0.341SS..Hα-helixtrans-91.4-16.5177.664.30000113.5C29 L30 S34C29-T32 PolarHBondContact O-N 3.31Å; C29-T32 PolarHBondContact O-OG1 3.35Å; C29-T32 VanDerWaalsContact O-OG1 3.1Å; L30-T32 VanDerWaalsContact C-N 3.27Å; L30-T32 PolarHBondContact O-N 3.5Å; T32-S34 PolarHBondContact O-N 3.31Å; T32-S34 PolarHBondContact O-OG 3.28Å
33K80.7Confident85.5Confident153 Ų15365 Ų6567%0.66536%0.357SS*.  trans56.93.3-174.6-60.6-174.6178.7-179.70115.6C29 L30 C35 V36C29-K33 PolarHBondContact O-N 3.35Å; C29-K33 VanDerWaalsContact O-N 3.1Å; L30-K33 WeakPolarHBondContact O-CG 3.45Å; L30-K33 PolarHBondContact O-N 3.07Å; K33-C35 VanDerWaalsContact C-N 3.32Å; K33-C35 PolarHBondContact O-N 3.32Å; K33-V36 WeakPolarHBondContact O-CG2 3.45Å
34S75.2Confident85.1Confident79 Ų7961 Ų6155%0.55234%0.337SS*.THydrogen-bonded Turntrans-72.5-24.6-174.4-57.70000113.5T32T32-S34 PolarHBondContact O-N 3.31Å; T32-S34 PolarHBondContact O-OG 3.28Å
35C80.2Confident84.8Confident10 Ų1063.5 Ų63.57%0.06834%0.344CS..THydrogen-bonded Turntrans-99.3-4-171.657.40000115.8C29 K33 K37 P47 A51C29-C35 VanDerWaalsContact C-SG 3.53Å; C29-C35 HydrophobicContact CB-CB 4.32Å; C29-C35 WeakPolarHBondContact CB-SG 3.46Å; C29-C35 PolarHBondContact O-SG 3.36Å; C29-C35 VanDerWaalsContact O-SG 3.39Å; C29-C35 WeakPolarHBondContact SG-CB 3.19Å; C29-C35 CovalentContact SG-SG 1.98Å; C29-C35 PolarHBondContact SG-SG 3.33Å; K33-C35 VanDerWaalsContact C-N 3.32Å; K33-C35 PolarHBondContact O-N 3.32Å; C35-K37 VanDerWaalsContact C-N 3.33Å; C35-P47 HydrophobicContact CB-CB 4.01Å; C35-P47 WeakPolarHBondContact O-CB 3.49Å; C35-A51 HydrophobicContact CB-CB 4.46Å
36V82.7Confident84.7Confident17 Ų1765.9 Ų65.910%0.10336%0.357CS..SBendtrans-84.4-15174-65.40000112L30 K33 N44 P47L30-V36 HydrophobicContact CD2-CG1 3.76Å; K33-V36 WeakPolarHBondContact O-CG2 3.45Å; V36-N44 HydrophobicContact CB-CB 4.4Å; V36-N44 WeakPolarHBondContact CB-O 3.31Å; V36-N44 WeakPolarHBondContact O-CB 3.16Å; V36-N44 PolarHBondContact O-ND2 3.43Å; V36-P47 HydrophobicContact CG1-CB 4.46Å
37K78.4Confident84.6Confident123 Ų12365.2 Ų65.254%0.53535%0.353SS..  trans-72.6130.6178-62.6-165.9173.5-135.20110.3C35 D42C35-K37 VanDerWaalsContact C-N 3.33Å; K37-D42 WeakPolarHBondContact CD-OD1 3.11Å; K37-D42 WeakPolarHBondContact CG-OD1 3.4Å; K37-D42 IonicContact NZ-OD1 3.83Å; K37-D42 IonicContact NZ-OD2 2.77Å; K37-D42 PolarHBondContact NZ-OD2 3.06Å
38T78.2Confident84.6Confident22 Ų2260.4 Ų60.414%0.13533%0.329CS..  trans-113165.2173.860.10000109.3C40 T41 Y200T38-C40 PolarHBondContact O-N 2.88Å; T38-C40 VanDerWaalsContact O-N 3.08Å; T38-T41 PolarHBondContact N-O 2.99Å; T38-T41 PolarHBondContact O-N 3.49Å; T38-T41 PolarHBondContact OG1-N 3.47Å; T38-T41 VanDerWaalsContact OG1-N 3.1Å; T38-T41 PolarHBondContact OG1-O 2.85Å; T38-T41 PolarHBondContact OG1-OG1 2.69Å; T38-Y200 HydrophobicContact CG2-CD1 3.53Å; T38-Y200 HydrophobicContact CG2-CD2 4.01Å; T38-Y200 HydrophobicContact CG2-CE1 3.95Å; T38-Y200 HydrophobicContact CG2-CE2 4.42Å; T38-Y200 HydrophobicContact CG2-CG 3.54Å
39H79.8Confident84.7Confident144 Ų14458.2 Ų58.267%0.66732%0.317SS*.SBendtrans-57.8-23.4179.268-75.2000114.5H191H39-H191 AromaticContact CE1-NE2 3.77Å
40C81.4Confident84.8Confident61 Ų6159.2 Ų59.241%0.41232%0.324SS..SBendtrans-109.5-23.3177.3-28.20000115T38 C195T38-C40 PolarHBondContact O-N 2.88Å; T38-C40 VanDerWaalsContact O-N 3.08Å; C40-C195 HydrophobicContact CB-CB 3.65Å; C40-C195 WeakPolarHBondContact CB-SG 3.3Å; C40-C195 WeakPolarHBondContact SG-CB 3.37Å; C40-C195 CovalentContact SG-SG 2.03Å; C40-C195 PolarHBondContact SG-SG 2.93Å
41T77.1Confident84.8Confident21 Ų2157.7 Ų57.713%0.12932%0.32CS..  trans-144.9142.3-168.966.50000113T38 N44T38-T41 PolarHBondContact N-O 2.99Å; T38-T41 PolarHBondContact O-N 3.49Å; T38-T41 PolarHBondContact OG1-N 3.47Å; T38-T41 VanDerWaalsContact OG1-N 3.1Å; T38-T41 PolarHBondContact OG1-O 2.85Å; T38-T41 PolarHBondContact OG1-OG1 2.69Å; T41-N44 PolarHBondContact OG1-ND2 3.35Å; T41-N44 VanDerWaalsContact OG1-ND2 3.09Å
42D78.3Confident84.9Confident98 Ų9853.7 Ų53.752%0.52429%0.287SS..SBendtrans-1038.8172.5-80.6-0.6000112.4K37K37-D42 WeakPolarHBondContact CD-OD1 3.11Å; K37-D42 WeakPolarHBondContact CG-OD1 3.4Å; K37-D42 IonicContact NZ-OD1 3.83Å; K37-D42 IonicContact NZ-OD2 2.77Å; K37-D42 PolarHBondContact NZ-OD2 3.06Å
43T83.4Confident85.3Confident59 Ų5950.7 Ų50.736%0.36227%0.268SS..  trans-91.12.7-170.564.70000114.4Y198T43-Y198 VanDerWaalsContact O-CD1 3.22Å; T43-Y198 WeakPolarHBondContact O-CD1 3.29Å; T43-Y198 WeakPolarHBondContact O-CE1 3.46Å
44N86.9Confident85.4Confident7 Ų743.7 Ų43.74%0.03724%0.24CC..  trans-80.1149.6-172.7-60.7-67000112.9V36 T41 Y198 Y200 T201V36-N44 HydrophobicContact CB-CB 4.4Å; V36-N44 WeakPolarHBondContact CB-O 3.31Å; V36-N44 WeakPolarHBondContact O-CB 3.16Å; V36-N44 PolarHBondContact O-ND2 3.43Å; T41-N44 PolarHBondContact OG1-ND2 3.35Å; T41-N44 VanDerWaalsContact OG1-ND2 3.09Å; N44-Y198 WeakPolarHBondContact OD1-CA 3.3Å; N44-Y200 HydrophobicContact CB-CD1 4.47Å; N44-T201 VanDerWaalsContact CA-OG1 3.3Å; N44-T201 WeakPolarHBondContact CA-OG1 3.36Å; N44-T201 VanDerWaalsContact CB-OG1 3.3Å; N44-T201 WeakPolarHBondContact CB-OG1 3.45Å; N44-T201 PolarHBondContact OD1-N 3.27Å; N44-T201 PolarHBondContact OD1-OG1 3.43Å
45F89Confident85.4Confident133 Ų13344.1 Ų44.158%0.58324%0.243SC*.SBendtrans-102.8-27.9177.9-57.9-62.7000113.2L30 Y198 T201L30-F45 WeakPolarHBondContact CD2-O 3.37Å; F45-Y198 AromaticContact CD2-CD1 3.95Å; F45-Y198 HydrophobicContact CD2-CD1 3.95Å; F45-Y198 HydrophobicContact CD2-CE1 4.04Å; F45-Y198 AromaticContact CE2-CD1 3.6Å; F45-Y198 HydrophobicContact CE2-CD1 3.6Å; F45-Y198 AromaticContact CE2-CE1 3.28Å; F45-Y198 HydrophobicContact CE2-CE1 3.28Å; F45-Y198 HydrophobicContact CZ-CD1 4.38Å; F45-Y198 AromaticContact CZ-CE1 3.65Å; F45-Y198 HydrophobicContact CZ-CE1 3.65Å; F45-T201 HydrophobicContact CB-CG2 4.09Å; F45-T201 HydrophobicContact CD2-CG2 4.39Å; F45-T201 PolarHBondContact N-OG1 2.51Å
46L92.5Very high85.2Confident50 Ų5045.8 Ų45.826%0.26225%0.251SS..SBendtrans-123123.9-176.2-63174.5000110.7T201 S204 A205 Y208L46-T201 HydrophobicContact CB-CG2 3.99Å; L46-T201 HydrophobicContact CD1-CG2 4.07Å; L46-T201 HydrophobicContact CG-CG2 3.98Å; L46-S204 PolarHBondContact O-OG 3.49Å; L46-A205 HydrophobicContact CD1-CB 4.11Å; L46-Y208 HydrophobicContact CD1-CE2 4.46Å; L46-Y208 HydrophobicContact CD2-CE2 4.44Å
47P92.3Very high85.3Confident0 Ų050.3 Ų50.30%027%0.271CS..  trans-75.8151173.633.1-35.2000110.5V26 C29 C35 V36 A51 A52 S204 Y208V26-P47 HydrophobicContact CG1-CG 4.36Å; C29-P47 HydrophobicContact CB-CG 4.35Å; C35-P47 HydrophobicContact CB-CB 4.01Å; C35-P47 WeakPolarHBondContact O-CB 3.49Å; V36-P47 HydrophobicContact CG1-CB 4.46Å; P47-A51 HydrophobicContact CB-CB 4.24Å; P47-A52 HydrophobicContact CG-CB 4.34Å; P47-S204 WeakPolarHBondContact O-CB 3.45Å; P47-S204 PolarHBondContact O-OG 2.93Å; P47-Y208 PolarHBondContact O-OH 3.34Å
48S93.4Very high85.9Confident8 Ų847.7 Ų47.76%0.05627%0.267CS..  trans-66.3161.5166.6810000109.6S50 A51 A52 Y200 S204 E207S48-S50 VanDerWaalsContact C-N 3.27Å; S48-S50 PolarHBondContact O-N 2.89Å; S48-S50 PolarHBondContact OG-N 2.85Å; S48-A51 PolarHBondContact O-N 3.03Å; S48-A51 VanDerWaalsContact O-N 3.13Å; S48-A51 PolarHBondContact OG-N 2.89Å; S48-A52 PolarHBondContact O-N 3.46Å; S48-Y200 WeakPolarHBondContact CB-OH 3.42Å; S48-Y200 PolarHBondContact N-OH 3Å; S48-Y200 PolarHBondContact OG-OH 3.04Å; S48-S204 WeakPolarHBondContact CA-OG 3.27Å; S48-S204 PolarHBondContact N-OG 3.35Å; S48-E207 WeakPolarHBondContact CA-OE2 3.44Å; S48-E207 VanDerWaalsContact CB-OE2 3.32Å; S48-E207 WeakPolarHBondContact CB-OE2 3.39Å
49L94.3Very high86.6Confident17 Ų1747.1 Ų47.19%0.08926%0.262CS..Hα-helixtrans-55.5-46.4173.916963.3000110.4L22 A51 A52 V53 W63 E207 I211L22-L49 HydrophobicContact CD1-CB 4.23Å; L22-L49 HydrophobicContact CD1-CD1 3.75Å; L22-L49 HydrophobicContact CD1-CG 4.4Å; L49-A51 VanDerWaalsContact C-N 3.27Å; L49-A51 PolarHBondContact O-N 2.95Å; L49-A52 WeakPolarHBondContact O-CA 3.34Å; L49-A52 WeakPolarHBondContact O-CB 3.11Å; L49-A52 PolarHBondContact O-N 3.16Å; L49-V53 HydrophobicContact CD1-CG1 3.77Å; L49-V53 WeakPolarHBondContact O-CG2 3.32Å; L49-V53 PolarHBondContact O-N 3.1Å; L49-W63 HydrophobicContact CD1-CD2 3.93Å; L49-W63 HydrophobicContact CD1-CE3 3.82Å; L49-W63 HydrophobicContact CD1-CH2 4.03Å; L49-W63 HydrophobicContact CD1-CZ2 4.14Å; L49-W63 HydrophobicContact CD1-CZ3 3.87Å; L49-W63 HydrophobicContact CD2-CH2 3.48Å; L49-W63 VanDerWaalsContact CD2-CH2 3.48Å; L49-W63 HydrophobicContact CD2-CZ2 3.28Å; L49-W63 HydrophobicContact CD2-CZ3 4.19Å; L49-W63 HydrophobicContact CG-CH2 4.41Å; L49-W63 HydrophobicContact CG-CZ2 4.26Å; L49-E207 PolarHBondContact N-OE2 3.45Å; L49-I211 HydrophobicContact CB-CD1 4.26Å; L49-I211 HydrophobicContact CD2-CD1 3.64Å
50S93.2Very high87.2Confident20 Ų2042.8 Ų42.814%0.1424%0.24CC..Hα-helixtrans-58.7-36.8177.9-56.60000112.7S48 G54 H129S48-S50 VanDerWaalsContact C-N 3.27Å; S48-S50 PolarHBondContact O-N 2.89Å; S48-S50 PolarHBondContact OG-N 2.85Å; S50-G54 VanDerWaalsContact O-CA 3.27Å; S50-G54 WeakPolarHBondContact O-CA 3.23Å; S50-G54 PolarHBondContact O-N 2.92Å; S50-H129 PolarHBondContact OG-CE1 3.46Å; S50-H129 PolarHBondContact OG-NE2 3.35Å
51A91.2Very high87.9Confident28 Ų2843.1 Ų43.123%0.23124%0.24CC..Hα-helixtrans-71.5-33.8173.500000112.4C35 P47 S48 L49 Y200C35-A51 HydrophobicContact CB-CB 4.46Å; P47-A51 HydrophobicContact CB-CB 4.24Å; S48-A51 PolarHBondContact O-N 3.03Å; S48-A51 VanDerWaalsContact O-N 3.13Å; S48-A51 PolarHBondContact OG-N 2.89Å; L49-A51 VanDerWaalsContact C-N 3.27Å; L49-A51 PolarHBondContact O-N 2.95Å; A51-Y200 WeakPolarHBondContact CB-OH 3.24Å
52A92.4Very high88.8Confident0 Ų044.8 Ų44.80%025%0.248CC..Hα-helixtrans-68.5-34.7178.400000113.4V26 C29 P47 S48 L49 Q59V26-A52 HydrophobicContact CG2-CB 4.4Å; C29-A52 HydrophobicContact CB-CB 4.21Å; C29-A52 VanDerWaalsContact SG-CA 3.58Å; P47-A52 HydrophobicContact CG-CB 4.34Å; S48-A52 PolarHBondContact O-N 3.46Å; L49-A52 WeakPolarHBondContact O-CA 3.34Å; L49-A52 WeakPolarHBondContact O-CB 3.11Å; L49-A52 PolarHBondContact O-N 3.16Å; A52-Q59 WeakPolarHBondContact O-CB 3.41Å
53V91.6Very high89.7Confident14 Ų1440.6 Ų40.69%0.08523%0.225CC..Hα-helixtrans-105.6-2-177.2-54.60000114.2C25 L49 R60 W63C25-V53 HydrophobicContact CB-CG1 4.17Å; L49-V53 HydrophobicContact CD1-CG1 3.77Å; L49-V53 WeakPolarHBondContact O-CG2 3.32Å; L49-V53 PolarHBondContact O-N 3.1Å; V53-R60 VanDerWaalsContact O-CB 3.31Å; V53-R60 WeakPolarHBondContact O-CB 3.34Å; V53-W63 HydrophobicContact CB-CB 4.35Å; V53-W63 HydrophobicContact CB-CG 4.46Å; V53-W63 HydrophobicContact CG1-CB 3.65Å; V53-W63 HydrophobicContact CG1-CD2 4.3Å; V53-W63 HydrophobicContact CG1-CG 3.77Å
54G82.1Confident90.3Very high6 Ų639.2 Ų39.26%0.06222%0.215CC..SBendtrans-57.5-63-165.900000114.8S50 S121S50-G54 VanDerWaalsContact O-CA 3.27Å; S50-G54 WeakPolarHBondContact O-CA 3.23Å; S50-G54 PolarHBondContact O-N 2.92Å; G54-S121 VanDerWaalsContact C-OG 3.28Å; G54-S121 VanDerWaalsContact CA-OG 3.29Å; G54-S121 WeakPolarHBondContact CA-OG 3.39Å; G54-S121 VanDerWaalsContact O-CB 3.31Å; G54-S121 WeakPolarHBondContact O-CB 3.33Å; G54-S121 PolarHBondContact O-OG 2.86Å
55S74.9Confident90.8Very high88 Ų8843.2 Ų43.262%0.61524%0.235SC*.SBendtrans-131.26.3-176.161.60000113.5
56N75.7Confident91.2Very high45 Ų4537.2 Ų37.224%0.24121%0.21CC..  trans-99.8121.1-174.4-62-33.7000110Q59 R60N56-Q59 VanDerWaalsContact C-OE1 3.25Å; N56-Q59 PolarHBondContact O-N 2.66Å; N56-Q59 PolarHBondContact O-OE1 3.41Å; N56-Q59 VanDerWaalsContact O-OE1 3.1Å; N56-R60 PolarHBondContact O-N 2.95Å
57E84.6Confident91.4Very high112 Ų11235.1 Ų35.152%0.52320%0.199SC..THydrogen-bonded Turntrans-91.5140.2163.8-65.3-58155.300109.1Q59 R60 T61E57-Q59 PolarHBondContact O-OE1 2.98Å; E57-R60 WeakPolarHBondContact OE1-CB 3.47Å; E57-T61 WeakPolarHBondContact OE2-CB 3.42Å; E57-T61 PolarHBondContact OE2-N 3.5Å; E57-T61 PolarHBondContact OE2-OG1 2.85Å
58P92Very high91.7Very high69 Ų6939 Ų3945%0.44822%0.219SC..THydrogen-bonded Turncis-91.43.811.936.6-37.1000115.6L28 R60 T61 I62L28-P58 HydrophobicContact CD1-CG 4.14Å; P58-R60 PolarHBondContact O-N 3.29Å; P58-T61 PolarHBondContact O-N 3.35Å; P58-I62 HydrophobicContact CB-CD1 4.09Å; P58-I62 HydrophobicContact CG-CD1 4.15Å; P58-I62 VanDerWaalsContact O-CG1 3.28Å; P58-I62 WeakPolarHBondContact O-CG1 3.37Å; P58-I62 PolarHBondContact O-N 2.9Å
59Q93.3Very high91.8Very high9 Ų942.7 Ų42.74%0.04224%0.237CC..Hα-helixtrans-58.5-48-171.9-62.387.8-29.400112C25 L28 A52 N56 E57 T61 I62 W63C25-Q59 HydrophobicContact CB-CB 4.08Å; C25-Q59 HydrophobicContact CB-CG 4.23Å; C25-Q59 PolarHBondContact SG-O 2.75Å; L28-Q59 HydrophobicContact CB-CG 3.9Å; L28-Q59 HydrophobicContact CD1-CG 4.09Å; A52-Q59 WeakPolarHBondContact O-CB 3.41Å; N56-Q59 VanDerWaalsContact C-OE1 3.25Å; N56-Q59 PolarHBondContact O-N 2.66Å; N56-Q59 PolarHBondContact O-OE1 3.41Å; N56-Q59 VanDerWaalsContact O-OE1 3.1Å; E57-Q59 PolarHBondContact O-OE1 2.98Å; Q59-T61 PolarHBondContact O-N 3.39Å; Q59-I62 PolarHBondContact O-N 3.33Å; Q59-W63 WeakPolarHBondContact O-CB 3.47Å; Q59-W63 PolarHBondContact O-N 3.01Å
60R92.4Very high91.9Very high54 Ų5442.4 Ų42.420%0.20424%0.237CC..Hα-helixtrans-57.7-49.6179.1-174.8179.7-179165.63.8111.5V53 N56 E57 P58 I62 W63 I64 I119 D124V53-R60 VanDerWaalsContact O-CB 3.31Å; V53-R60 WeakPolarHBondContact O-CB 3.34Å; N56-R60 PolarHBondContact O-N 2.95Å; E57-R60 WeakPolarHBondContact OE1-CB 3.47Å; P58-R60 PolarHBondContact O-N 3.29Å; R60-I62 PolarHBondContact O-N 2.88Å; R60-W63 PolarHBondContact O-N 2.98Å; R60-I64 HydrophobicContact CG-CD1 3.77Å; R60-I64 WeakPolarHBondContact O-CG1 3.47Å; R60-I64 PolarHBondContact O-N 2.75Å; R60-I119 PolarHBondContact NH2-O 3.24Å; R60-D124 IonicContact CZ-OD2 3.5Å; R60-D124 IonicContact NH1-OD2 3.13Å; R60-D124 PolarHBondContact NH1-OD2 3.37Å; R60-D124 VanDerWaalsContact NH1-OD2 3.13Å; R60-D124 IonicContact NH2-OD2 2.93Å; R60-D124 PolarHBondContact NH2-OD2 2.84Å
61T95.1Very high92.1Very high67 Ų6741.7 Ų41.741%0.41123%0.232SC..Hα-helixtrans-61.3-46.1179.1-63.20000112.2E57 P58 Q59 W63 I64 I65E57-T61 WeakPolarHBondContact OE2-CB 3.42Å; E57-T61 PolarHBondContact OE2-N 3.5Å; E57-T61 PolarHBondContact OE2-OG1 2.85Å; P58-T61 PolarHBondContact O-N 3.35Å; Q59-T61 PolarHBondContact O-N 3.39Å; T61-W63 VanDerWaalsContact C-N 3.31Å; T61-W63 PolarHBondContact O-N 3.5Å; T61-I64 PolarHBondContact O-N 3.33Å; T61-I65 HydrophobicContact CG2-CD1 3.68Å; T61-I65 HydrophobicContact CG2-CG1 4.4Å; T61-I65 WeakPolarHBondContact O-CG1 3.49Å; T61-I65 PolarHBondContact O-N 3.1Å; T61-I65 VanDerWaalsContact O-N 3.07Å
62I96.1Very high92.3Very high57 Ų5743 Ų4329%0.29224%0.243SC..Hα-helixtrans-58.5-45.2177.8-68.8166.2000110.6A21 I24 L28 P58 Q59 R60 S66A21-I62 HydrophobicContact CB-CG2 4.06Å; I24-I62 HydrophobicContact CG2-CD1 4.17Å; L28-I62 HydrophobicContact CD1-CD1 4.32Å; P58-I62 HydrophobicContact CB-CD1 4.09Å; P58-I62 HydrophobicContact CG-CD1 4.15Å; P58-I62 VanDerWaalsContact O-CG1 3.28Å; P58-I62 WeakPolarHBondContact O-CG1 3.37Å; P58-I62 PolarHBondContact O-N 2.9Å; Q59-I62 PolarHBondContact O-N 3.33Å; R60-I62 PolarHBondContact O-N 2.88Å; I62-S66 WeakPolarHBondContact O-CB 2.96Å; I62-S66 PolarHBondContact O-N 3.42Å
63W96.5Very high92.4Very high10 Ų1044.4 Ų44.44%0.03825%0.248CC..Hα-helixtrans-63.2-50.4179-179.3-103000112.5P18 A21 L22 L49 V53 Q59 R60 T61 I65 S66 I67 S118P18-W63 WeakPolarHBondContact O-CZ3 3.31Å; A21-W63 HydrophobicContact CB-CE3 3.96Å; A21-W63 HydrophobicContact CB-CZ3 4.4Å; L22-W63 HydrophobicContact CB-CZ3 3.95Å; L49-W63 HydrophobicContact CD1-CD2 3.93Å; L49-W63 HydrophobicContact CD1-CE3 3.82Å; L49-W63 HydrophobicContact CD1-CH2 4.03Å; L49-W63 HydrophobicContact CD1-CZ2 4.14Å; L49-W63 HydrophobicContact CD1-CZ3 3.87Å; L49-W63 HydrophobicContact CD2-CH2 3.48Å; L49-W63 VanDerWaalsContact CD2-CH2 3.48Å; L49-W63 HydrophobicContact CD2-CZ2 3.28Å; L49-W63 HydrophobicContact CD2-CZ3 4.19Å; L49-W63 HydrophobicContact CG-CH2 4.41Å; L49-W63 HydrophobicContact CG-CZ2 4.26Å; V53-W63 HydrophobicContact CB-CB 4.35Å; V53-W63 HydrophobicContact CB-CG 4.46Å; V53-W63 HydrophobicContact CG1-CB 3.65Å; V53-W63 HydrophobicContact CG1-CD2 4.3Å; V53-W63 HydrophobicContact CG1-CG 3.77Å; Q59-W63 WeakPolarHBondContact O-CB 3.47Å; Q59-W63 PolarHBondContact O-N 3.01Å; R60-W63 PolarHBondContact O-N 2.98Å; T61-W63 VanDerWaalsContact C-N 3.31Å; T61-W63 PolarHBondContact O-N 3.5Å; W63-I65 PolarHBondContact O-N 3.5Å; W63-S66 WeakPolarHBondContact O-CB 3.49Å; W63-S66 PolarHBondContact O-N 3.47Å; W63-I67 HydrophobicContact CD2-CG1 4.13Å; W63-I67 HydrophobicContact CH2-CD1 4.01Å; W63-I67 HydrophobicContact CH2-CG1 4.43Å; W63-I67 HydrophobicContact CZ2-CD1 3.57Å; W63-I67 HydrophobicContact CZ2-CG1 3.74Å; W63-I67 WeakPolarHBondContact O-CG1 3.3Å; W63-I67 PolarHBondContact O-N 3.38Å; W63-S118 PolarHBondContact NE1-OG 3.31Å; W63-S118 VanDerWaalsContact NE1-OG 3.09Å
64I96.7Very high92.6Very high30 Ų3044.9 Ų44.915%0.15425%0.248CC..Hα-helixtrans-61.3-48.6-177.5-69.9171.2000111.2R60 T61 S66 I67 L68 S118 I119R60-I64 HydrophobicContact CG-CD1 3.77Å; R60-I64 WeakPolarHBondContact O-CG1 3.47Å; R60-I64 PolarHBondContact O-N 2.75Å; T61-I64 PolarHBondContact O-N 3.33Å; I64-S66 VanDerWaalsContact C-N 3.29Å; I64-S66 PolarHBondContact O-N 3.18Å; I64-I67 PolarHBondContact O-N 2.99Å; I64-L68 HydrophobicContact CG2-CD1 3.7Å; I64-L68 HydrophobicContact CG2-CG 4.28Å; I64-L68 WeakPolarHBondContact O-CB 3.44Å; I64-L68 WeakPolarHBondContact O-CG 3.46Å; I64-L68 PolarHBondContact O-N 2.98Å; I64-S118 WeakPolarHBondContact CG1-O 3.42Å; I64-I119 HydrophobicContact CG2-CG1 4.48Å
65I96.8Very high93.2Very high91 Ų9147.7 Ų47.747%0.46726%0.262SS..Hα-helixtrans-59.6-44.6-179.9-68.3172.2000110.4T61 W63 L68 I69T61-I65 HydrophobicContact CG2-CD1 3.68Å; T61-I65 HydrophobicContact CG2-CG1 4.4Å; T61-I65 WeakPolarHBondContact O-CG1 3.49Å; T61-I65 PolarHBondContact O-N 3.1Å; T61-I65 VanDerWaalsContact O-N 3.07Å; W63-I65 PolarHBondContact O-N 3.5Å; I65-L68 PolarHBondContact O-N 3.45Å; I65-I69 HydrophobicContact CG2-CD1 3.74Å; I65-I69 HydrophobicContact CG2-CG1 4.48Å; I65-I69 VanDerWaalsContact O-CG1 3.29Å; I65-I69 WeakPolarHBondContact O-CG1 3.28Å; I65-I69 PolarHBondContact O-N 3.23Å
66S97.6Very high94.1Very high7 Ų747.3 Ų47.35%0.04925%0.252CS..Hα-helixtrans-59.8-46.6177.8171.80000112.7L17 P18 I62 W63 I64 S70L17-S66 PolarHBondContact O-OG 2.75Å; P18-S66 WeakPolarHBondContact CA-OG 3.31Å; I62-S66 WeakPolarHBondContact O-CB 2.96Å; I62-S66 PolarHBondContact O-N 3.42Å; W63-S66 WeakPolarHBondContact O-CB 3.49Å; W63-S66 PolarHBondContact O-N 3.47Å; I64-S66 VanDerWaalsContact C-N 3.29Å; I64-S66 PolarHBondContact O-N 3.18Å; S66-S70 WeakPolarHBondContact O-CB 3.36Å; S66-S70 PolarHBondContact O-N 3.16Å
67I97.7Very high94.9Very high5 Ų546 Ų463%0.02625%0.245CC..Hα-helixtrans-66-40.7178.1-69.1-67.1000111.7P18 W63 I64 S70 S71 L114P18-I67 HydrophobicContact CB-CD1 3.97Å; P18-I67 HydrophobicContact CG-CD1 4.03Å; W63-I67 HydrophobicContact CD2-CG1 4.13Å; W63-I67 HydrophobicContact CH2-CD1 4.01Å; W63-I67 HydrophobicContact CH2-CG1 4.43Å; W63-I67 HydrophobicContact CZ2-CD1 3.57Å; W63-I67 HydrophobicContact CZ2-CG1 3.74Å; W63-I67 WeakPolarHBondContact O-CG1 3.3Å; W63-I67 PolarHBondContact O-N 3.38Å; I64-I67 PolarHBondContact O-N 2.99Å; I67-S70 PolarHBondContact O-N 3.31Å; I67-S71 WeakPolarHBondContact O-CB 3.41Å; I67-S71 PolarHBondContact O-N 2.76Å; I67-S71 PolarHBondContact O-OG 3.46Å; I67-L114 HydrophobicContact CD1-CD1 4.4Å; I67-L114 HydrophobicContact CD1-CD2 4.23Å; I67-L114 HydrophobicContact CD1-CG 4.37Å; I67-L114 HydrophobicContact CG2-CD2 4.37Å; I67-L114 HydrophobicContact CG2-CG 4.01Å
68L97.4Very high95.3Very high83 Ų8341.2 Ų41.244%0.43522%0.223SC..Hα-helixtrans-62.9-46.2178-73.6168.7000111.7I64 I65 S71 A72 N115I64-L68 HydrophobicContact CG2-CD1 3.7Å; I64-L68 HydrophobicContact CG2-CG 4.28Å; I64-L68 WeakPolarHBondContact O-CB 3.44Å; I64-L68 WeakPolarHBondContact O-CG 3.46Å; I64-L68 PolarHBondContact O-N 2.98Å; I65-L68 PolarHBondContact O-N 3.45Å; L68-S71 PolarHBondContact O-N 2.97Å; L68-A72 PolarHBondContact O-N 2.94Å; L68-N115 VanDerWaalsContact CD2-OD1 3.3Å; L68-N115 WeakPolarHBondContact CD2-OD1 3.2Å
69I96.2Very high95.3Very high85 Ų8540.7 Ų40.744%0.43622%0.22SC..Hα-helixtrans-63.2-46.8177.6-65.2167.5000110.4L17 I65 S71 A72 W73L17-I69 HydrophobicContact CD1-CB 4.01Å; L17-I69 HydrophobicContact CD1-CD1 4.41Å; L17-I69 HydrophobicContact CD1-CG2 3.48Å; L17-I69 VanDerWaalsContact CD1-CG2 3.48Å; I65-I69 HydrophobicContact CG2-CD1 3.74Å; I65-I69 HydrophobicContact CG2-CG1 4.48Å; I65-I69 VanDerWaalsContact O-CG1 3.29Å; I65-I69 WeakPolarHBondContact O-CG1 3.28Å; I65-I69 PolarHBondContact O-N 3.23Å; I69-S71 VanDerWaalsContact C-N 3.31Å; I69-S71 PolarHBondContact O-N 3.25Å; I69-A72 PolarHBondContact O-N 3.04Å; I69-W73 PolarHBondContact O-N 2.83Å; I69-W73 VanDerWaalsContact O-N 3.16Å
70S96.7Very high95.2Very high11 Ų1140.6 Ų40.68%0.07722%0.22CC..Hα-helixtrans-63-38.7178-162.10000111.8A14 S66 I67 W73 R74A14-S70 WeakPolarHBondContact O-CB 3.48Å; A14-S70 PolarHBondContact O-OG 3.32Å; S66-S70 WeakPolarHBondContact O-CB 3.36Å; S66-S70 PolarHBondContact O-N 3.16Å; I67-S70 PolarHBondContact O-N 3.31Å; S70-W73 PolarHBondContact O-N 3.32Å; S70-R74 VanDerWaalsContact O-CG 3.29Å; S70-R74 WeakPolarHBondContact O-CG 3.21Å; S70-R74 PolarHBondContact O-N 2.9Å
71S97.1Very high95.2Very high4 Ų438.9 Ų38.93%0.02822%0.216CC..Hα-helixtrans-65.8-44.4177.7-65.90000112.4I67 L68 I69 W73 R74 L75 N115I67-S71 WeakPolarHBondContact O-CB 3.41Å; I67-S71 PolarHBondContact O-N 2.76Å; I67-S71 PolarHBondContact O-OG 3.46Å; L68-S71 PolarHBondContact O-N 2.97Å; I69-S71 VanDerWaalsContact C-N 3.31Å; I69-S71 PolarHBondContact O-N 3.25Å; S71-W73 VanDerWaalsContact C-N 3.27Å; S71-W73 PolarHBondContact O-N 3.47Å; S71-R74 PolarHBondContact O-N 2.87Å; S71-L75 WeakPolarHBondContact O-CG 3.37Å; S71-L75 PolarHBondContact O-N 3.4Å; S71-N115 VanDerWaalsContact CB-ND2 3.3Å; S71-N115 WeakPolarHBondContact CB-ND2 3.46Å; S71-N115 PolarHBondContact OG-ND2 2.85Å; S71-N115 PolarHBondContact OG-OD1 3.22Å
72A95.4Very high95Very high57 Ų5739.4 Ų39.447%0.47121%0.211SC..Hα-helixtrans-57.7-43.8174.900000111L68 I69 L75 L76L68-A72 PolarHBondContact O-N 2.94Å; I69-A72 PolarHBondContact O-N 3.04Å; A72-L75 PolarHBondContact O-N 3.01Å; A72-L76 WeakPolarHBondContact O-CG 3.44Å; A72-L76 PolarHBondContact O-N 3.35Å; A72-L76 VanDerWaalsContact O-N 3.14Å
73W94.1Very high94.6Very high29 Ų2939.6 Ų39.611%0.1121%0.212CC..Hα-helixtrans-64-44.1175.8-173.5-108.7000112.9F7 V10 C11 A14 I69 S70 S71 L75 L76 I77 M233F7-W73 AromaticContact CD2-CH2 3.98Å; F7-W73 HydrophobicContact CD2-CH2 3.98Å; F7-W73 AromaticContact CD2-CZ2 3.87Å; F7-W73 HydrophobicContact CD2-CZ2 3.87Å; F7-W73 AromaticContact CE2-CH2 3.85Å; F7-W73 HydrophobicContact CE2-CH2 3.85Å; F7-W73 AromaticContact CE2-CZ2 3.5Å; F7-W73 HydrophobicContact CE2-CZ2 3.5Å; F7-W73 VanDerWaalsContact CE2-CZ2 3.5Å; F7-W73 HydrophobicContact CZ-CZ2 4.34Å; V10-W73 HydrophobicContact CB-CH2 3.95Å; V10-W73 HydrophobicContact CB-CZ2 4Å; V10-W73 HydrophobicContact CG1-CD2 4.13Å; V10-W73 HydrophobicContact CG1-CE3 3.91Å; V10-W73 HydrophobicContact CG1-CH2 3.4Å; V10-W73 HydrophobicContact CG1-CZ2 3.62Å; V10-W73 HydrophobicContact CG1-CZ3 3.55Å; C11-W73 VanDerWaalsContact SG-CZ2 3.53Å; A14-W73 HydrophobicContact CB-CB 3.79Å; A14-W73 VanDerWaalsContact CB-CD1 3.49Å; A14-W73 HydrophobicContact CB-CD2 4.2Å; A14-W73 HydrophobicContact CB-CG 3.53Å; I69-W73 PolarHBondContact O-N 2.83Å; I69-W73 VanDerWaalsContact O-N 3.16Å; S70-W73 PolarHBondContact O-N 3.32Å; S71-W73 VanDerWaalsContact C-N 3.27Å; S71-W73 PolarHBondContact O-N 3.47Å; W73-L75 VanDerWaalsContact C-N 3.33Å; W73-L75 PolarHBondContact O-N 3.25Å; W73-L76 HydrophobicContact CE3-CD1 4.04Å; W73-L76 HydrophobicContact CZ3-CD1 4.29Å; W73-L76 WeakPolarHBondContact O-CB 3.11Å; W73-L76 PolarHBondContact O-N 2.97Å; W73-I77 HydrophobicContact CZ2-CD1 4.41Å; W73-I77 VanDerWaalsContact NE1-CD1 3.26Å; W73-I77 PolarHBondContact O-N 2.99Å; W73-I77 VanDerWaalsContact O-N 3.08Å; W73-M233 HydrophobicContact CH2-CE 4.37Å; W73-M233 HydrophobicContact CH2-SD 3.75Å; W73-M233 HydrophobicContact CZ3-SD 4.29Å
74R95.7Very high94.2Very high24 Ų2439.3 Ų39.39%0.09121%0.211CC..Hα-helixtrans-60.6-41.2176.6-74.3170.362.5179.2-3.2111.9S70 S71 L76 I77 L78 E110 I111 H218S70-R74 VanDerWaalsContact O-CG 3.29Å; S70-R74 WeakPolarHBondContact O-CG 3.21Å; S70-R74 PolarHBondContact O-N 2.9Å; S71-R74 PolarHBondContact O-N 2.87Å; R74-L76 PolarHBondContact O-N 3.41Å; R74-I77 PolarHBondContact O-N 3.24Å; R74-L78 WeakPolarHBondContact O-CB 3.38Å; R74-L78 PolarHBondContact O-N 3.02Å; R74-E110 IonicContact CZ-OE1 3.93Å; R74-E110 IonicContact NH2-OE1 2.86Å; R74-E110 PolarHBondContact NH2-OE1 3.5Å; R74-E110 IonicContact NH2-OE2 2.81Å; R74-E110 PolarHBondContact NH2-OE2 3.03Å; R74-I111 HydrophobicContact CB-CD1 3.73Å; R74-I111 HydrophobicContact CB-CG1 4.4Å; R74-H218 PolarHBondContact NH2-CE1 3.42Å; R74-H218 PolarHBondContact NH2-NE2 2.98Å
75L95.1Very high93.7Very high64 Ų6438.1 Ų38.134%0.33521%0.206SC..Hα-helixtrans-63.9-37.9176.3-71.1171.9000112.5S71 A72 W73 L78 C79 F108 I111S71-L75 WeakPolarHBondContact O-CG 3.37Å; S71-L75 PolarHBondContact O-N 3.4Å; A72-L75 PolarHBondContact O-N 3.01Å; W73-L75 VanDerWaalsContact C-N 3.33Å; W73-L75 PolarHBondContact O-N 3.25Å; L75-L78 HydrophobicContact CD2-CD2 4.32Å; L75-L78 PolarHBondContact O-N 3.26Å; L75-C79 WeakPolarHBondContact O-CB 3.41Å; L75-C79 PolarHBondContact O-N 3.43Å; L75-F108 HydrophobicContact CD2-CD2 3.89Å; L75-F108 HydrophobicContact CD2-CE2 4.36Å; L75-I111 HydrophobicContact CD1-CG2 4.4Å; L75-I111 HydrophobicContact CD2-CD1 3.76Å; L75-I111 HydrophobicContact CD2-CG2 4.31Å; L75-I111 HydrophobicContact CG-CD1 4.07Å; L75-I111 HydrophobicContact CG-CG2 4.18Å
76L93.1Very high93.1Very high80 Ų8035 Ų3542%0.41919%0.192SC..Hα-helixtrans-62.9-47.6174.1-70.8173.2000111.7A72 W73 R74 L78 C79 N80A72-L76 WeakPolarHBondContact O-CG 3.44Å; A72-L76 PolarHBondContact O-N 3.35Å; A72-L76 VanDerWaalsContact O-N 3.14Å; W73-L76 HydrophobicContact CE3-CD1 4.04Å; W73-L76 HydrophobicContact CZ3-CD1 4.29Å; W73-L76 WeakPolarHBondContact O-CB 3.11Å; W73-L76 PolarHBondContact O-N 2.97Å; R74-L76 PolarHBondContact O-N 3.41Å; L76-L78 VanDerWaalsContact C-N 3.31Å; L76-L78 PolarHBondContact O-N 3.33Å; L76-C79 PolarHBondContact O-N 3.36Å; L76-N80 WeakPolarHBondContact O-CB 3.35Å; L76-N80 PolarHBondContact O-N 2.66Å
77I93.1Very high92.4Very high19 Ų1940.6 Ų40.610%0.09722%0.215CC..Hα-helixtrans-61.7-42.1175.8-68.5-179.4000110.8F7 W73 R74 N80 S81 F225F7-I77 HydrophobicContact CE2-CG1 4.48Å; F7-I77 HydrophobicContact CZ-CD1 4.19Å; F7-I77 HydrophobicContact CZ-CG1 4.19Å; W73-I77 HydrophobicContact CZ2-CD1 4.41Å; W73-I77 VanDerWaalsContact NE1-CD1 3.26Å; W73-I77 PolarHBondContact O-N 2.99Å; W73-I77 VanDerWaalsContact O-N 3.08Å; R74-I77 PolarHBondContact O-N 3.24Å; I77-N80 PolarHBondContact O-N 3.49Å; I77-S81 WeakPolarHBondContact O-CB 3.46Å; I77-S81 PolarHBondContact O-N 2.58Å; I77-F225 HydrophobicContact CG2-CD2 4.49Å; I77-F225 HydrophobicContact CG2-CE2 3.64Å; I77-F225 HydrophobicContact CG2-CZ 4.2Å
78L93.5Very high91.5Very high11 Ų1141.7 Ų41.76%0.05822%0.224CC..Hα-helixtrans-62-48-179.8-176.663000111.5R74 L75 L76 N80 S81 Y82 Y104 F108 I111R74-L78 WeakPolarHBondContact O-CB 3.38Å; R74-L78 PolarHBondContact O-N 3.02Å; L75-L78 HydrophobicContact CD2-CD2 4.32Å; L75-L78 PolarHBondContact O-N 3.26Å; L76-L78 VanDerWaalsContact C-N 3.31Å; L76-L78 PolarHBondContact O-N 3.33Å; L78-N80 VanDerWaalsContact C-N 3.35Å; L78-N80 PolarHBondContact O-N 2.92Å; L78-S81 WeakPolarHBondContact O-CB 3.32Å; L78-S81 PolarHBondContact O-N 2.88Å; L78-Y82 WeakPolarHBondContact O-CB 3.23Å; L78-Y82 PolarHBondContact O-N 2.82Å; L78-Y104 HydrophobicContact CD1-CD2 4.17Å; L78-Y104 HydrophobicContact CD2-CD2 4.01Å; L78-Y104 HydrophobicContact CD2-CE2 4.11Å; L78-Y104 HydrophobicContact CG-CD2 3.66Å; L78-Y104 HydrophobicContact CG-CE2 3.98Å; L78-F108 HydrophobicContact CD2-CB 4.43Å; L78-I111 HydrophobicContact CD2-CD1 4.39Å
79C92.3Very high90.6Very high57 Ų5738 Ų3839%0.38520%0.204SC..Hα-helixtrans-60-45.4175.7-174.40000111.4L75 L76 S81 Y82 I83L75-C79 WeakPolarHBondContact O-CB 3.41Å; L75-C79 PolarHBondContact O-N 3.43Å; L76-C79 PolarHBondContact O-N 3.36Å; C79-S81 PolarHBondContact O-N 3.28Å; C79-Y82 PolarHBondContact O-N 3.28Å; C79-I83 WeakPolarHBondContact O-CG1 3.12Å; C79-I83 PolarHBondContact O-N 3.34Å
80N91.8Very high89.6Confident8 Ų838.2 Ų38.24%0.04321%0.213CC..Hα-helixtrans-61-43.4176.4-16960.9000112.3L76 I77 L78 N84 F225 T242 I243L76-N80 WeakPolarHBondContact O-CB 3.35Å; L76-N80 PolarHBondContact O-N 2.66Å; I77-N80 PolarHBondContact O-N 3.49Å; L78-N80 VanDerWaalsContact C-N 3.35Å; L78-N80 PolarHBondContact O-N 2.92Å; N80-N84 WeakPolarHBondContact O-CB 3.21Å; N80-N84 VanDerWaalsContact O-CG 3.31Å; N80-N84 PolarHBondContact O-N 3.15Å; N80-N84 VanDerWaalsContact O-N 3.15Å; N80-N84 PolarHBondContact O-ND2 3.36Å; N80-F225 HydrophobicContact CB-CE1 4.44Å; N80-F225 WeakPolarHBondContact ND2-CD1 3.42Å; N80-F225 WeakPolarHBondContact ND2-CE1 3.44Å; N80-T242 WeakPolarHBondContact OD1-CA 3.44Å; N80-T242 WeakPolarHBondContact OD1-CB 3.38Å; N80-T242 WeakPolarHBondContact OD1-CG2 3.36Å; N80-I243 PolarHBondContact ND2-O 3.31Å; N80-I243 PolarHBondContact OD1-N 3.1Å
81S91.3Very high88.2Confident18 Ų1842.9 Ų42.913%0.12625%0.245CC..Hα-helixtrans-62-44.5175.8-164.90000111.9I77 L78 C79 S85I77-S81 WeakPolarHBondContact O-CB 3.46Å; I77-S81 PolarHBondContact O-N 2.58Å; L78-S81 WeakPolarHBondContact O-CB 3.32Å; L78-S81 PolarHBondContact O-N 2.88Å; C79-S81 PolarHBondContact O-N 3.28Å; S81-S85 VanDerWaalsContact O-CB 3.31Å; S81-S85 WeakPolarHBondContact O-CB 3.19Å; S81-S85 PolarHBondContact O-N 3.4Å; S81-S85 PolarHBondContact O-OG 3.24Å
82Y90.9Very high86.7Confident77 Ų7747.3 Ų47.330%0.30226%0.262SS..Hα-helixtrans-63.1-52.5-178.6173.6-108.5000111.3L78 C79 N84 S85 C86 N101 Y104L78-Y82 WeakPolarHBondContact O-CB 3.23Å; L78-Y82 PolarHBondContact O-N 2.82Å; C79-Y82 PolarHBondContact O-N 3.28Å; Y82-N84 VanDerWaalsContact C-N 3.32Å; Y82-N84 PolarHBondContact O-N 3.45Å; Y82-S85 PolarHBondContact O-N 2.91Å; Y82-S85 VanDerWaalsContact O-N 3.1Å; Y82-C86 WeakPolarHBondContact CE2-SG 3.5Å; Y82-C86 VanDerWaalsContact CZ-SG 3.56Å; Y82-C86 PolarHBondContact O-N 3.39Å; Y82-C86 PolarHBondContact O-SG 3.35Å; Y82-C86 VanDerWaalsContact O-SG 3.32Å; Y82-N101 VanDerWaalsContact CE2-OD1 3.28Å; Y82-N101 WeakPolarHBondContact CE2-OD1 3.39Å; Y82-N101 PolarHBondContact OH-OD1 3.44Å; Y82-Y104 HydrophobicContact CD1-CD2 4.46Å; Y82-Y104 HydrophobicContact CD2-CD2 4.16Å; Y82-Y104 AromaticContact CD2-CG 3.96Å; Y82-Y104 HydrophobicContact CD2-CG 3.96Å; Y82-Y104 AromaticContact CG-CD2 3.85Å; Y82-Y104 HydrophobicContact CG-CD2 3.85Å; Y82-Y104 HydrophobicContact CG-CE2 4.42Å; Y82-Y104 HydrophobicContact CG-CG 4.12Å
83I88.5Confident84.8Confident61 Ų6150.2 Ų50.231%0.31328%0.279SS..Hα-helixtrans-59.7-43.6179.5-64.6166.1000111C79 C86 K87 T242C79-I83 WeakPolarHBondContact O-CG1 3.12Å; C79-I83 PolarHBondContact O-N 3.34Å; I83-C86 PolarHBondContact O-N 3.06Å; I83-K87 HydrophobicContact CG2-CD 4.36Å; I83-K87 WeakPolarHBondContact O-CG 3.46Å; I83-K87 PolarHBondContact O-N 3.44Å; I83-T242 HydrophobicContact CB-CG2 3.71Å; I83-T242 HydrophobicContact CD1-CG2 4.06Å; I83-T242 HydrophobicContact CG2-CG2 3.51Å
84N87.9Confident83Confident4 Ų452.5 Ų52.52%0.02131%0.312CS..Hα-helixtrans-64.8-38.6176.6-76-15.3000112.7N80 Y82 K87 S88 T242 I243 F245 M248N80-N84 WeakPolarHBondContact O-CB 3.21Å; N80-N84 VanDerWaalsContact O-CG 3.31Å; N80-N84 PolarHBondContact O-N 3.15Å; N80-N84 VanDerWaalsContact O-N 3.15Å; N80-N84 PolarHBondContact O-ND2 3.36Å; Y82-N84 VanDerWaalsContact C-N 3.32Å; Y82-N84 PolarHBondContact O-N 3.45Å; N84-K87 PolarHBondContact O-N 3.02Å; N84-S88 WeakPolarHBondContact O-CB 3.39Å; N84-S88 PolarHBondContact O-N 3.26Å; N84-T242 WeakPolarHBondContact OD1-CB 2.91Å; N84-T242 PolarHBondContact OD1-OG1 2.87Å; N84-I243 PolarHBondContact ND2-O 2.94Å; N84-F245 HydrophobicContact CB-CD2 4.14Å; N84-F245 HydrophobicContact CB-CE1 4.37Å; N84-F245 HydrophobicContact CB-CE2 3.46Å; N84-F245 VanDerWaalsContact CB-CE2 3.46Å; N84-F245 HydrophobicContact CB-CZ 3.59Å; N84-M248 HydrophobicContact CB-CE 3.92Å
85S86Confident81.4Confident6 Ų653.4 Ų53.44%0.04233%0.329CS..Hα-helixtrans-67.7-43.9177.9-56.60000110.5S81 Y82 K87 S88 F89S81-S85 VanDerWaalsContact O-CB 3.31Å; S81-S85 WeakPolarHBondContact O-CB 3.19Å; S81-S85 PolarHBondContact O-N 3.4Å; S81-S85 PolarHBondContact O-OG 3.24Å; Y82-S85 PolarHBondContact O-N 2.91Å; Y82-S85 VanDerWaalsContact O-N 3.1Å; S85-K87 VanDerWaalsContact C-N 3.31Å; S85-K87 PolarHBondContact O-N 3.02Å; S85-S88 PolarHBondContact O-N 3.04Å; S85-F89 WeakPolarHBondContact O-CB 3.47Å; S85-F89 WeakPolarHBondContact O-CD2 3.33Å; S85-F89 PolarHBondContact O-N 3.48Å
86C84.7Confident80.1Confident24 Ų2453.4 Ų53.416%0.16233%0.327CS..Hα-helixtrans-58-41.8174.4-67.60000112.2Y82 I83 S90 L97Y82-C86 WeakPolarHBondContact CE2-SG 3.5Å; Y82-C86 VanDerWaalsContact CZ-SG 3.56Å; Y82-C86 PolarHBondContact O-N 3.39Å; Y82-C86 PolarHBondContact O-SG 3.35Å; Y82-C86 VanDerWaalsContact O-SG 3.32Å; I83-C86 PolarHBondContact O-N 3.06Å; C86-S90 WeakPolarHBondContact O-CA 3Å; C86-S90 WeakPolarHBondContact O-CB 3.32Å; C86-S90 PolarHBondContact O-N 3.08Å; C86-S90 PolarHBondContact O-OG 3.12Å; C86-L97 HydrophobicContact CB-CD1 4.06Å
87K83.1Confident78.9Confident125 Ų12553.7 Ų53.754%0.54333%0.328SS..Hα-helixtrans-66.4-41175.3-71.4174.3-177.81760113I83 N84 S85 S90I83-K87 HydrophobicContact CG2-CD 4.36Å; I83-K87 WeakPolarHBondContact O-CG 3.46Å; I83-K87 PolarHBondContact O-N 3.44Å; N84-K87 PolarHBondContact O-N 3.02Å; S85-K87 VanDerWaalsContact C-N 3.31Å; S85-K87 PolarHBondContact O-N 3.02Å; K87-S90 PolarHBondContact O-OG 3.16Å
88S78.3Confident77.9Confident29 Ų2956.3 Ų56.320%0.20335%0.348CS..Hα-helixtrans-68.4-38.8179.1-175.50000111.3N84 S85 Y92N84-S88 WeakPolarHBondContact O-CB 3.39Å; N84-S88 PolarHBondContact O-N 3.26Å; S85-S88 PolarHBondContact O-N 3.04Å; S88-Y92 WeakPolarHBondContact O-CD2 3.45Å; S88-Y92 WeakPolarHBondContact O-CE2 3.36Å
89F78.8Confident77.3Confident6 Ų657 Ų573%0.02635%0.353CS..Hα-helixtrans-90.4-12.9-178.2-68.8-62.1000114.7S85 S91 Y92 H96 S100 V150 L153 R154S85-F89 WeakPolarHBondContact O-CB 3.47Å; S85-F89 WeakPolarHBondContact O-CD2 3.33Å; S85-F89 PolarHBondContact O-N 3.48Å; F89-S91 PolarHBondContact O-N 3.37Å; F89-Y92 HydrophobicContact CD1-CD2 4.31Å; F89-Y92 WeakPolarHBondContact O-CB 3.32Å; F89-Y92 PolarHBondContact O-N 3.41Å; F89-H96 HydrophobicContact CB-CB 3.88Å; F89-H96 HydrophobicContact CD1-CB 3.66Å; F89-H96 HydrophobicContact CE1-CB 4.47Å; F89-H96 HydrophobicContact CG-CB 3.95Å; F89-S100 WeakPolarHBondContact CD2-OG 3.15Å; F89-V150 HydrophobicContact CE2-CG1 4.04Å; F89-V150 HydrophobicContact CZ-CG1 4.37Å; F89-L153 HydrophobicContact CE1-CB 4.42Å; F89-L153 HydrophobicContact CZ-CB 4.3Å; F89-R154 HydrophobicContact CE2-CG 4.48Å; F89-R154 HydrophobicContact CZ-CG 3.98Å
90S74.4Confident76.7Confident89 Ų8954.6 Ų54.662%0.62234%0.337SS*.THydrogen-bonded Turntrans-63.9-22.5178.357.50000113.5C86 K87 Y92C86-S90 WeakPolarHBondContact O-CA 3Å; C86-S90 WeakPolarHBondContact O-CB 3.32Å; C86-S90 PolarHBondContact O-N 3.08Å; C86-S90 PolarHBondContact O-OG 3.12Å; K87-S90 PolarHBondContact O-OG 3.16Å; S90-Y92 PolarHBondContact O-N 2.82Å
91S67.3Low76.5Confident108 Ų10856.7 Ų56.776%0.75535%0.348SS*.THydrogen-bonded Turntrans-72.6-16.2173.1-158.70000112.7F89F89-S91 PolarHBondContact O-N 3.37Å
92Y65.3Low76.5Confident97 Ų9760.4 Ų60.438%0.3837%0.366SS..SBendtrans-103.6126.6-175.7-62-90.2000110.8S88 F89 S90 G94 T157S88-Y92 WeakPolarHBondContact O-CD2 3.45Å; S88-Y92 WeakPolarHBondContact O-CE2 3.36Å; F89-Y92 HydrophobicContact CD1-CD2 4.31Å; F89-Y92 WeakPolarHBondContact O-CB 3.32Å; F89-Y92 PolarHBondContact O-N 3.41Å; S90-Y92 PolarHBondContact O-N 2.82Å; Y92-G94 PolarHBondContact O-N 3.29Å; Y92-T157 WeakPolarHBondContact OH-CG2 3.46Å
93S56Low76.7Confident118 Ų11857.3 Ų57.383%0.82536%0.355SS*.  trans-49.4126.5-180168.60000114.1G95S93-G95 VanDerWaalsContact C-N 3.32Å; S93-G95 PolarHBondContact O-N 2.85Å
94G56.7Low76.9Confident78 Ų7857.9 Ų57.980%0.80435%0.354SS*.THydrogen-bonded Turntrans66.1-44.8148.200000120.5Y92Y92-G94 PolarHBondContact O-N 3.29Å
95G62.5Low77.3Confident43 Ų4362.3 Ų62.344%0.44338%0.377SS..THydrogen-bonded Turntrans-102.7-32.3-170.300000114.8S93 L97 S98 V99S93-G95 VanDerWaalsContact C-N 3.32Å; S93-G95 PolarHBondContact O-N 2.85Å; G95-L97 VanDerWaalsContact C-N 3.31Å; G95-L97 PolarHBondContact O-N 2.74Å; G95-S98 WeakPolarHBondContact O-CB 3.43Å; G95-S98 PolarHBondContact O-N 2.85Å; G95-V99 PolarHBondContact O-N 2.89Å
96H67.3Low77.8Confident63 Ų6362.2 Ų62.229%0.29238%0.377SS..Hα-helixtrans-72.1-23.3-170.6-71.1-82.6000114F89 V99 S100F89-H96 HydrophobicContact CB-CB 3.88Å; F89-H96 HydrophobicContact CD1-CB 3.66Å; F89-H96 HydrophobicContact CE1-CB 4.47Å; F89-H96 HydrophobicContact CG-CB 3.95Å; H96-V99 PolarHBondContact O-N 3.4Å; H96-S100 PolarHBondContact O-N 2.95Å; H96-S100 PolarHBondContact O-OG 2.61Å
97L67.5Low78.4Confident86 Ų8661.2 Ų61.245%0.4537%0.37SS..Hα-helixtrans-67.1-40.8174.7-16668.5000111.3C86 G95 V99 S100 N101C86-L97 HydrophobicContact CB-CD1 4.06Å; G95-L97 VanDerWaalsContact C-N 3.31Å; G95-L97 PolarHBondContact O-N 2.74Å; L97-V99 VanDerWaalsContact C-N 3.26Å; L97-V99 PolarHBondContact O-N 2.81Å; L97-S100 WeakPolarHBondContact O-CB 2.96Å; L97-S100 PolarHBondContact O-N 3.12Å; L97-N101 PolarHBondContact O-N 3.01Å
98S72.2Confident79.1Confident74 Ų7459.8 Ų59.852%0.51736%0.364SS..Hα-helixtrans-60.2-39175.3-173.30000111.6G95 S100 N101 L102G95-S98 WeakPolarHBondContact O-CB 3.43Å; G95-S98 PolarHBondContact O-N 2.85Å; S98-S100 PolarHBondContact O-N 3.43Å; S98-N101 PolarHBondContact O-N 2.88Å; S98-N101 VanDerWaalsContact O-N 3.16Å; S98-L102 PolarHBondContact O-N 2.92Å
99V80.3Confident80Confident27 Ų2761.2 Ų61.216%0.16437%0.369CS..Hα-helixtrans-62.7-30.8177-176.90000112.1G95 H96 L97 P103 Y149 V150 L153G95-V99 PolarHBondContact O-N 2.89Å; H96-V99 PolarHBondContact O-N 3.4Å; L97-V99 VanDerWaalsContact C-N 3.26Å; L97-V99 PolarHBondContact O-N 2.81Å; V99-P103 WeakPolarHBondContact O-CD 3.38Å; V99-Y149 HydrophobicContact CG1-CD1 3.65Å; V99-Y149 HydrophobicContact CG1-CE1 3.5Å; V99-Y149 HydrophobicContact CG2-CE1 4.24Å; V99-V150 HydrophobicContact CG1-CG2 3.73Å; V99-L153 HydrophobicContact CG1-CD1 3.9Å
100S79.3Confident80.9Confident5 Ų561 Ų614%0.03537%0.368CS..Hα-helixtrans-76.5-26.8177.5-60.40000113.5F89 H96 L97 S98F89-S100 WeakPolarHBondContact CD2-OG 3.15Å; H96-S100 PolarHBondContact O-N 2.95Å; H96-S100 PolarHBondContact O-OG 2.61Å; L97-S100 WeakPolarHBondContact O-CB 2.96Å; L97-S100 PolarHBondContact O-N 3.12Å; S98-S100 PolarHBondContact O-N 3.43Å
101N88.6Confident82.1Confident53 Ų5356.9 Ų56.928%0.28334%0.339SS..Hα-helixtrans-71.9-36.1179-66.1-17.3000112Y82 L97 S98 Y104 L105Y82-N101 VanDerWaalsContact CE2-OD1 3.28Å; Y82-N101 WeakPolarHBondContact CE2-OD1 3.39Å; Y82-N101 PolarHBondContact OH-OD1 3.44Å; L97-N101 PolarHBondContact O-N 3.01Å; S98-N101 PolarHBondContact O-N 2.88Å; S98-N101 VanDerWaalsContact O-N 3.16Å; N101-Y104 WeakPolarHBondContact O-CB 3.07Å; N101-Y104 PolarHBondContact O-N 3.05Å; N101-L105 WeakPolarHBondContact O-CG 3.38Å; N101-L105 PolarHBondContact O-N 3.2Å
102L91.7Very high83.5Confident95 Ų9556.5 Ų56.550%0.49732%0.324SS..Hα-helixtrans-59.7-52.9-174.9-70.5174.5000113.2S98 Y104 L105 S106 T146S98-L102 PolarHBondContact O-N 2.92Å; L102-Y104 VanDerWaalsContact C-N 3.26Å; L102-Y104 PolarHBondContact O-N 3.25Å; L102-L105 PolarHBondContact O-N 3.49Å; L102-S106 PolarHBondContact O-N 2.86Å; L102-S106 PolarHBondContact O-OG 2.97Å; L102-T146 HydrophobicContact CB-CG2 4.06Å
103P93.4Very high85.1Confident13 Ų1352 Ų528%0.08431%0.307CS..Hα-helixtrans-59.7-37.1176-15.822.4000112.8V99 S106 S107 Y143 T146 D147 V150V99-P103 WeakPolarHBondContact O-CD 3.38Å; P103-S106 WeakPolarHBondContact CA-OG 3.44Å; P103-S106 PolarHBondContact O-OG 3.3Å; P103-S106 VanDerWaalsContact O-OG 3.11Å; P103-S107 VanDerWaalsContact O-CB 3.24Å; P103-S107 WeakPolarHBondContact O-CB 3.43Å; P103-S107 PolarHBondContact O-N 3.04Å; P103-Y143 HydrophobicContact CB-CD2 4.12Å; P103-Y143 HydrophobicContact CB-CE2 4.19Å; P103-Y143 WeakPolarHBondContact O-CD2 3.33Å; P103-T146 WeakPolarHBondContact CA-OG1 3.28Å; P103-D147 HydrophobicContact CB-CB 4.48Å; P103-V150 HydrophobicContact CG-CG2 3.8Å
104Y93.8Very high87.1Confident73 Ų7347.2 Ų47.229%0.28627%0.272SS..Hα-helixtrans-61.4-54.8178.8177.6-95.8000111.3L78 Y82 N101 L102 S106 S107 F108L78-Y104 HydrophobicContact CD1-CD2 4.17Å; L78-Y104 HydrophobicContact CD2-CD2 4.01Å; L78-Y104 HydrophobicContact CD2-CE2 4.11Å; L78-Y104 HydrophobicContact CG-CD2 3.66Å; L78-Y104 HydrophobicContact CG-CE2 3.98Å; Y82-Y104 HydrophobicContact CD1-CD2 4.46Å; Y82-Y104 HydrophobicContact CD2-CD2 4.16Å; Y82-Y104 AromaticContact CD2-CG 3.96Å; Y82-Y104 HydrophobicContact CD2-CG 3.96Å; Y82-Y104 AromaticContact CG-CD2 3.85Å; Y82-Y104 HydrophobicContact CG-CD2 3.85Å; Y82-Y104 HydrophobicContact CG-CE2 4.42Å; Y82-Y104 HydrophobicContact CG-CG 4.12Å; N101-Y104 WeakPolarHBondContact O-CB 3.07Å; N101-Y104 PolarHBondContact O-N 3.05Å; L102-Y104 VanDerWaalsContact C-N 3.26Å; L102-Y104 PolarHBondContact O-N 3.25Å; Y104-S106 PolarHBondContact O-N 3.41Å; Y104-S107 PolarHBondContact O-N 3.17Å; Y104-F108 WeakPolarHBondContact O-CB 3.44Å; Y104-F108 PolarHBondContact O-N 3.27Å
105L95.7Very high89.1Confident96 Ų9644.4 Ų44.450%0.50324%0.238SC..Hα-helixtrans-63-45.1-179-68.1175.2000111.6N101 L102 S107 F108 I109N101-L105 WeakPolarHBondContact O-CG 3.38Å; N101-L105 PolarHBondContact O-N 3.2Å; L102-L105 PolarHBondContact O-N 3.49Å; L105-S107 VanDerWaalsContact C-N 3.34Å; L105-S107 PolarHBondContact O-N 3.21Å; L105-F108 PolarHBondContact O-N 3.46Å; L105-I109 WeakPolarHBondContact O-CG1 3.43Å; L105-I109 PolarHBondContact O-N 3.03Å
106S96.9Very high90.7Very high5 Ų544.6 Ų44.64%0.03523%0.228CC..Hα-helixtrans-63.4-40.3178.857.10000112.3L102 P103 Y104 I109 E110 Y143L102-S106 PolarHBondContact O-N 2.86Å; L102-S106 PolarHBondContact O-OG 2.97Å; P103-S106 WeakPolarHBondContact CA-OG 3.44Å; P103-S106 PolarHBondContact O-OG 3.3Å; P103-S106 VanDerWaalsContact O-OG 3.11Å; Y104-S106 PolarHBondContact O-N 3.41Å; S106-I109 PolarHBondContact O-N 3.24Å; S106-E110 VanDerWaalsContact O-CB 3.27Å; S106-E110 WeakPolarHBondContact O-CB 3.35Å; S106-E110 PolarHBondContact O-N 2.79Å; S106-Y143 WeakPolarHBondContact OG-CA 3.18Å; S106-Y143 WeakPolarHBondContact OG-CB 3.2Å
107S97Very high92.1Very high3 Ų342.7 Ų42.72%0.02122%0.22CC..Hα-helixtrans-71.5-35.4178.5-166.40000112.2P103 Y104 L105 E110 I111P103-S107 VanDerWaalsContact O-CB 3.24Å; P103-S107 WeakPolarHBondContact O-CB 3.43Å; P103-S107 PolarHBondContact O-N 3.04Å; Y104-S107 PolarHBondContact O-N 3.17Å; L105-S107 VanDerWaalsContact C-N 3.34Å; L105-S107 PolarHBondContact O-N 3.21Å; S107-E110 WeakPolarHBondContact O-CB 3.14Å; S107-E110 PolarHBondContact O-N 3.34Å; S107-I111 WeakPolarHBondContact O-CB 3.42Å; S107-I111 WeakPolarHBondContact O-CD1 3.46Å; S107-I111 WeakPolarHBondContact O-CG1 3.33Å; S107-I111 PolarHBondContact O-N 3.46Å
108F97.4Very high93.4Very high94 Ų9439 Ų3941%0.41220%0.202SC..Hα-helixtrans-61-48.3173.9-178.3-92.7000111.2L75 L78 Y104 L105 I111 F112L75-F108 HydrophobicContact CD2-CD2 3.89Å; L75-F108 HydrophobicContact CD2-CE2 4.36Å; L78-F108 HydrophobicContact CD2-CB 4.43Å; Y104-F108 WeakPolarHBondContact O-CB 3.44Å; Y104-F108 PolarHBondContact O-N 3.27Å; L105-F108 PolarHBondContact O-N 3.46Å; F108-I111 PolarHBondContact O-N 2.85Å; F108-F112 WeakPolarHBondContact O-CB 3.4Å; F108-F112 PolarHBondContact O-N 3.11Å
109I98Very high94.5Very high60 Ų6039 Ų3931%0.30820%0.195SC..Hα-helixtrans-66.4-38.7178.5-61.3165.8000111.1L105 S106 F112 S113 F139L105-I109 WeakPolarHBondContact O-CG1 3.43Å; L105-I109 PolarHBondContact O-N 3.03Å; S106-I109 PolarHBondContact O-N 3.24Å; I109-F112 PolarHBondContact O-N 2.9Å; I109-S113 VanDerWaalsContact O-CB 3.28Å; I109-S113 WeakPolarHBondContact O-CB 3.41Å; I109-S113 PolarHBondContact O-N 3.49Å; I109-S113 PolarHBondContact O-OG 3.43Å; I109-F139 HydrophobicContact CB-CD1 4.01Å; I109-F139 HydrophobicContact CB-CD2 4.18Å; I109-F139 HydrophobicContact CB-CE1 4.22Å; I109-F139 HydrophobicContact CB-CE2 4.39Å; I109-F139 HydrophobicContact CB-CG 3.98Å; I109-F139 HydrophobicContact CB-CZ 4.41Å; I109-F139 HydrophobicContact CD1-CD1 4.15Å; I109-F139 HydrophobicContact CD1-CE1 3.56Å; I109-F139 HydrophobicContact CD1-CE2 4.48Å; I109-F139 HydrophobicContact CD1-CZ 3.76Å; I109-F139 HydrophobicContact CG2-CB 4.43Å; I109-F139 HydrophobicContact CG2-CD1 4.07Å; I109-F139 HydrophobicContact CG2-CD2 3.35Å; I109-F139 HydrophobicContact CG2-CE1 4.14Å; I109-F139 HydrophobicContact CG2-CE2 3.46Å; I109-F139 VanDerWaalsContact CG2-CE2 3.46Å; I109-F139 HydrophobicContact CG2-CG 3.69Å; I109-F139 HydrophobicContact CG2-CZ 3.85Å
110E98.2Very high95.2Very high0 Ų038.8 Ų38.80%019%0.194CC..Hα-helixtrans-56.5-53172.7-179.2-149.6179.300111.1R74 S106 S107 F112 S113 L114 F136 F139 S140 N214 H218R74-E110 IonicContact CZ-OE1 3.93Å; R74-E110 IonicContact NH2-OE1 2.86Å; R74-E110 PolarHBondContact NH2-OE1 3.5Å; R74-E110 IonicContact NH2-OE2 2.81Å; R74-E110 PolarHBondContact NH2-OE2 3.03Å; S106-E110 VanDerWaalsContact O-CB 3.27Å; S106-E110 WeakPolarHBondContact O-CB 3.35Å; S106-E110 PolarHBondContact O-N 2.79Å; S107-E110 WeakPolarHBondContact O-CB 3.14Å; S107-E110 PolarHBondContact O-N 3.34Å; E110-F112 PolarHBondContact O-N 2.91Å; E110-S113 PolarHBondContact O-N 3.33Å; E110-L114 WeakPolarHBondContact O-CB 3.33Å; E110-L114 PolarHBondContact O-N 2.96Å; E110-F136 HydrophobicContact CG-CD2 3.69Å; E110-F136 HydrophobicContact CG-CE2 3.77Å; E110-F139 HydrophobicContact CB-CB 4.05Å; E110-S140 VanDerWaalsContact CG-OG 3.29Å; E110-S140 WeakPolarHBondContact CG-OG 3.48Å; E110-S140 PolarHBondContact OE1-OG 3.41Å; E110-N214 PolarHBondContact OE1-ND2 3.46Å; E110-H218 IonicContact OE1-CD2 3.97Å; E110-H218 IonicContact OE1-CE1 2.98Å; E110-H218 IonicContact OE1-NE2 2.58Å; E110-H218 PolarHBondContact OE1-NE2 2.99Å; E110-H218 IonicContact OE2-CE1 3.22Å; E110-H218 PolarHBondContact OE2-CE1 2.9Å; E110-H218 VanDerWaalsContact OE2-CE1 3.24Å; E110-H218 IonicContact OE2-NE2 2.92Å; E110-H218 PolarHBondContact OE2-NE2 3.37Å
111I98.1Very high95.7Very high3 Ų338.9 Ų38.92%0.01519%0.194CC..Hα-helixtrans-62.4-45.2-179.3-68.6164000110.2R74 L75 L78 S107 F108 S113 L114 N115R74-I111 HydrophobicContact CB-CD1 3.73Å; R74-I111 HydrophobicContact CB-CG1 4.4Å; L75-I111 HydrophobicContact CD1-CG2 4.4Å; L75-I111 HydrophobicContact CD2-CD1 3.76Å; L75-I111 HydrophobicContact CD2-CG2 4.31Å; L75-I111 HydrophobicContact CG-CD1 4.07Å; L75-I111 HydrophobicContact CG-CG2 4.18Å; L78-I111 HydrophobicContact CD2-CD1 4.39Å; S107-I111 WeakPolarHBondContact O-CB 3.42Å; S107-I111 WeakPolarHBondContact O-CD1 3.46Å; S107-I111 WeakPolarHBondContact O-CG1 3.33Å; S107-I111 PolarHBondContact O-N 3.46Å; F108-I111 PolarHBondContact O-N 2.85Å; I111-S113 VanDerWaalsContact C-N 3.34Å; I111-S113 PolarHBondContact O-N 3.48Å; I111-L114 PolarHBondContact O-N 3.06Å; I111-N115 WeakPolarHBondContact CG2-ND2 3.41Å; I111-N115 PolarHBondContact O-N 2.94Å; I111-N115 PolarHBondContact O-ND2 3.33Å
112F98.1Very high95.8Very high100 Ų10038.2 Ų38.244%0.43919%0.194SC..Hα-helixtrans-58.1-48.1176.8177.9-95000111.2F108 I109 E110 L114 N115 M116 Y132F108-F112 WeakPolarHBondContact O-CB 3.4Å; F108-F112 PolarHBondContact O-N 3.11Å; I109-F112 PolarHBondContact O-N 2.9Å; E110-F112 PolarHBondContact O-N 2.91Å; F112-L114 VanDerWaalsContact C-N 3.31Å; F112-L114 PolarHBondContact O-N 3.34Å; F112-N115 PolarHBondContact O-N 2.98Å; F112-M116 HydrophobicContact CD1-CG 4.13Å; F112-M116 HydrophobicContact CD2-CE 4.47Å; F112-M116 HydrophobicContact CE1-CG 3.65Å; F112-M116 HydrophobicContact CE2-CE 3.86Å; F112-M116 HydrophobicContact CE2-CG 4.15Å; F112-M116 HydrophobicContact CE2-SD 4.45Å; F112-M116 HydrophobicContact CZ-CE 4.13Å; F112-M116 HydrophobicContact CZ-CG 3.66Å; F112-M116 HydrophobicContact CZ-SD 4.11Å; F112-M116 WeakPolarHBondContact O-CG 3.43Å; F112-M116 PolarHBondContact O-N 3.09Å; F112-Y132 HydrophobicContact CE1-CE1 4.46Å
113S98.1Very high95.6Very high4 Ų437.1 Ų37.13%0.02819%0.194CC..Hα-helixtrans-61.1-39.5178.4-570000111.7I109 E110 I111 M116 L117 A135I109-S113 VanDerWaalsContact O-CB 3.28Å; I109-S113 WeakPolarHBondContact O-CB 3.41Å; I109-S113 PolarHBondContact O-N 3.49Å; I109-S113 PolarHBondContact O-OG 3.43Å; E110-S113 PolarHBondContact O-N 3.33Å; I111-S113 VanDerWaalsContact C-N 3.34Å; I111-S113 PolarHBondContact O-N 3.48Å; S113-M116 PolarHBondContact O-N 3.49Å; S113-L117 WeakPolarHBondContact O-CB 3.27Å; S113-L117 PolarHBondContact O-N 3.27Å; S113-A135 WeakPolarHBondContact OG-CB 3.47Å
114L98.1Very high95.4Very high17 Ų1741.2 Ų41.29%0.08922%0.215CC..Hα-helixtrans-64.4-40.7176.2-178.860.7000112.8I67 E110 I111 F112 S118 F136I67-L114 HydrophobicContact CD1-CD1 4.4Å; I67-L114 HydrophobicContact CD1-CD2 4.23Å; I67-L114 HydrophobicContact CD1-CG 4.37Å; I67-L114 HydrophobicContact CG2-CD2 4.37Å; I67-L114 HydrophobicContact CG2-CG 4.01Å; E110-L114 WeakPolarHBondContact O-CB 3.33Å; E110-L114 PolarHBondContact O-N 2.96Å; I111-L114 PolarHBondContact O-N 3.06Å; F112-L114 VanDerWaalsContact C-N 3.31Å; F112-L114 PolarHBondContact O-N 3.34Å; L114-S118 WeakPolarHBondContact O-CB 3.42Å; L114-S118 PolarHBondContact O-N 3.33Å; L114-S118 VanDerWaalsContact O-N 3.09Å; L114-S118 PolarHBondContact O-OG 3.42Å; L114-F136 HydrophobicContact CB-CD2 3.75Å; L114-F136 HydrophobicContact CB-CE2 3.98Å; L114-F136 HydrophobicContact CD1-CD2 4.23Å; L114-F136 HydrophobicContact CD1-CE1 4.5Å; L114-F136 HydrophobicContact CD1-CE2 4Å; L114-F136 HydrophobicContact CD1-CZ 4.14Å; L114-F136 HydrophobicContact CD2-CE2 4.06Å; L114-F136 HydrophobicContact CG-CD2 4.43Å; L114-F136 HydrophobicContact CG-CE2 4.24Å
115N98Very high95.3Very high18 Ų1840.4 Ų40.410%0.09622%0.216CC..Hα-helixtrans-65.8-47.5175.6-75.5-79.5000110.9L68 S71 I111 F112 L117 S118 I119L68-N115 VanDerWaalsContact CD2-OD1 3.3Å; L68-N115 WeakPolarHBondContact CD2-OD1 3.2Å; S71-N115 VanDerWaalsContact CB-ND2 3.3Å; S71-N115 WeakPolarHBondContact CB-ND2 3.46Å; S71-N115 PolarHBondContact OG-ND2 2.85Å; S71-N115 PolarHBondContact OG-OD1 3.22Å; I111-N115 WeakPolarHBondContact CG2-ND2 3.41Å; I111-N115 PolarHBondContact O-N 2.94Å; I111-N115 PolarHBondContact O-ND2 3.33Å; F112-N115 PolarHBondContact O-N 2.98Å; N115-L117 PolarHBondContact O-N 3.02Å; N115-S118 PolarHBondContact O-N 2.91Å; N115-S118 VanDerWaalsContact O-N 3.14Å; N115-I119 VanDerWaalsContact O-CG1 3.32Å; N115-I119 WeakPolarHBondContact O-CG1 3.24Å; N115-I119 PolarHBondContact O-N 2.98Å
116M97.4Very high95.1Very high48 Ų4841.5 Ų41.524%0.23621%0.214CC..Hα-helixtrans-63.2-40.9177.7-67.2-59.8123.200112.3F112 S113 S118 I119 V120 Y132F112-M116 HydrophobicContact CD1-CG 4.13Å; F112-M116 HydrophobicContact CD2-CE 4.47Å; F112-M116 HydrophobicContact CE1-CG 3.65Å; F112-M116 HydrophobicContact CE2-CE 3.86Å; F112-M116 HydrophobicContact CE2-CG 4.15Å; F112-M116 HydrophobicContact CE2-SD 4.45Å; F112-M116 HydrophobicContact CZ-CE 4.13Å; F112-M116 HydrophobicContact CZ-CG 3.66Å; F112-M116 HydrophobicContact CZ-SD 4.11Å; F112-M116 WeakPolarHBondContact O-CG 3.43Å; F112-M116 PolarHBondContact O-N 3.09Å; S113-M116 PolarHBondContact O-N 3.49Å; M116-S118 PolarHBondContact O-N 3.22Å; M116-I119 HydrophobicContact CE-CD1 4.26Å; M116-I119 PolarHBondContact O-N 2.91Å; M116-V120 WeakPolarHBondContact O-CB 3.44Å; M116-V120 PolarHBondContact O-N 3.23Å; M116-Y132 HydrophobicContact CB-CD1 3.52Å; M116-Y132 HydrophobicContact CB-CD2 3.71Å; M116-Y132 HydrophobicContact CB-CE1 3.52Å; M116-Y132 HydrophobicContact CB-CE2 3.7Å; M116-Y132 HydrophobicContact CB-CG 3.63Å; M116-Y132 HydrophobicContact CG-CD1 4.23Å; M116-Y132 HydrophobicContact CG-CE1 3.8Å; M116-Y132 HydrophobicContact CG-CE2 4.46Å
117L96.3Very high95.1Very high22 Ų2246 Ų4612%0.11524%0.237CC..Hα-helixtrans-57.8-36.5173.4176.464.4000112.3S113 N115 H129 F133 F136S113-L117 WeakPolarHBondContact O-CB 3.27Å; S113-L117 PolarHBondContact O-N 3.27Å; N115-L117 PolarHBondContact O-N 3.02Å; L117-H129 WeakPolarHBondContact CD1-CE1 3.45Å; L117-H129 WeakPolarHBondContact CD1-O 3.29Å; L117-H129 PolarHBondContact O-ND1 3.49Å; L117-F133 HydrophobicContact CD1-CB 3.8Å; L117-F133 HydrophobicContact CD1-CD2 4.38Å; L117-F133 HydrophobicContact CD2-CB 4.38Å; L117-F133 HydrophobicContact CD2-CD2 4.03Å; L117-F136 HydrophobicContact CD2-CD1 4.49Å
118S95.8Very high95Very high10 Ų1050.1 Ų50.17%0.0726%0.256CS..Hα-helixtrans-79.7-32.3-179.1-580000112.6W63 I64 L114 N115 M116W63-S118 PolarHBondContact NE1-OG 3.31Å; W63-S118 VanDerWaalsContact NE1-OG 3.09Å; I64-S118 WeakPolarHBondContact CG1-O 3.42Å; L114-S118 WeakPolarHBondContact O-CB 3.42Å; L114-S118 PolarHBondContact O-N 3.33Å; L114-S118 VanDerWaalsContact O-N 3.09Å; L114-S118 PolarHBondContact O-OG 3.42Å; N115-S118 PolarHBondContact O-N 2.91Å; N115-S118 VanDerWaalsContact O-N 3.14Å; M116-S118 PolarHBondContact O-N 3.22Å
119I94.9Very high94.9Very high72 Ų7246.4 Ų46.437%0.36924%0.24SC..Hα-helixtrans-79-46.7179.2-67.1165000111R60 I64 N115 M116 S121R60-I119 PolarHBondContact NH2-O 3.24Å; I64-I119 HydrophobicContact CG2-CG1 4.48Å; N115-I119 VanDerWaalsContact O-CG1 3.32Å; N115-I119 WeakPolarHBondContact O-CG1 3.24Å; N115-I119 PolarHBondContact O-N 2.98Å; M116-I119 HydrophobicContact CE-CD1 4.26Å; M116-I119 PolarHBondContact O-N 2.91Å; I119-S121 PolarHBondContact O-N 3.2Å
120V94Very high94.8Very high24 Ų2449.2 Ų49.215%0.14525%0.246CC..SBendtrans-85.1103.2-177.8-178.40000109.1M116 N125 Q128 H129 Y132M116-V120 WeakPolarHBondContact O-CB 3.44Å; M116-V120 PolarHBondContact O-N 3.23Å; V120-N125 HydrophobicContact CG1-CB 4.11Å; V120-Q128 HydrophobicContact CG1-CB 4.04Å; V120-H129 PolarHBondContact O-ND1 3.44Å; V120-Y132 HydrophobicContact CG2-CE2 4.06Å
121S91.1Very high94.8Very high7 Ų753.1 Ų53.15%0.04927%0.267CS..  trans-68.6148.3177.8-1790000111.7G54 I119 S123 D124 N125G54-S121 VanDerWaalsContact C-OG 3.28Å; G54-S121 VanDerWaalsContact CA-OG 3.29Å; G54-S121 WeakPolarHBondContact CA-OG 3.39Å; G54-S121 VanDerWaalsContact O-CB 3.31Å; G54-S121 WeakPolarHBondContact O-CB 3.33Å; G54-S121 PolarHBondContact O-OG 2.86Å; I119-S121 PolarHBondContact O-N 3.2Å; S121-S123 PolarHBondContact O-N 3.46Å; S121-S123 PolarHBondContact OG-N 3.49Å; S121-S123 PolarHBondContact OG-OG 2.91Å; S121-D124 PolarHBondContact O-N 2.81Å; S121-D124 VanDerWaalsContact O-N 3.11Å; S121-N125 PolarHBondContact O-N 3.46Å; S121-N125 VanDerWaalsContact O-N 3.08Å
122S90.3Very high94.7Very high38 Ų3855.9 Ų55.927%0.26628%0.278SS..THydrogen-bonded Turntrans-61.9-25.2171.956.60000112.8Y126 H129S122-Y126 PolarHBondContact O-N 3.02Å; S122-H129 PolarHBondContact N-ND1 3.25Å
123S86.7Confident94.7Very high72 Ų7254.1 Ų54.150%0.50327%0.27SS..THydrogen-bonded Turntrans-73.2-32.317457.90000112.8S121S121-S123 PolarHBondContact O-N 3.46Å; S121-S123 PolarHBondContact OG-N 3.49Å; S121-S123 PolarHBondContact OG-OG 2.91Å
124D88.8Confident94.6Very high100 Ų10057.3 Ų57.354%0.53529%0.292SS..THydrogen-bonded Turntrans-83.4-47.3-174.1-59.1-13.5000110.3R60 S121R60-D124 IonicContact CZ-OD2 3.5Å; R60-D124 IonicContact NH1-OD2 3.13Å; R60-D124 PolarHBondContact NH1-OD2 3.37Å; R60-D124 VanDerWaalsContact NH1-OD2 3.13Å; R60-D124 IonicContact NH2-OD2 2.93Å; R60-D124 PolarHBondContact NH2-OD2 2.84Å; S121-D124 PolarHBondContact O-N 2.81Å; S121-D124 VanDerWaalsContact O-N 3.11Å
125N93.2Very high94.6Very high55 Ų5557.8 Ų57.829%0.29430%0.298SS..  trans-152.290.8176.6-168.9-33.4000111V120 S121 I127 Q128 H129V120-N125 HydrophobicContact CG1-CB 4.11Å; S121-N125 PolarHBondContact O-N 3.46Å; S121-N125 VanDerWaalsContact O-N 3.08Å; N125-I127 VanDerWaalsContact C-N 3.29Å; N125-I127 PolarHBondContact O-N 3.33Å; N125-I127 PolarHBondContact OD1-N 2.95Å; N125-Q128 HydrophobicContact CB-CB 4.21Å; N125-Q128 HydrophobicContact CB-CG 4.5Å; N125-Q128 VanDerWaalsContact ND2-CD 3.29Å; N125-Q128 PolarHBondContact ND2-NE2 2.99Å; N125-Q128 PolarHBondContact O-N 3.38Å; N125-Q128 PolarHBondContact OD1-N 2.92Å; N125-H129 WeakPolarHBondContact O-CB 3.32Å; N125-H129 PolarHBondContact O-N 3.34Å
126Y91.2Very high94.6Very high119 Ų11958 Ų5847%0.46730%0.298SS..Hα-helixtrans-54.7-41.5179.7176-99.5000113.3S122 H129 R130S122-Y126 PolarHBondContact O-N 3.02Å; Y126-H129 PolarHBondContact O-N 3.33Å; Y126-R130 VanDerWaalsContact O-CB 3.29Å; Y126-R130 WeakPolarHBondContact O-CB 3.44Å; Y126-R130 PolarHBondContact O-N 3.08Å
127I95.6Very high94.6Very high101 Ų10156.4 Ų56.452%0.51829%0.293SS..Hα-helixtrans-64.9-47.6-176.2-61.5175.6000110.4N125 N131N125-I127 VanDerWaalsContact C-N 3.29Å; N125-I127 PolarHBondContact O-N 3.33Å; N125-I127 PolarHBondContact OD1-N 2.95Å; I127-N131 PolarHBondContact O-N 3.2Å; I127-N131 PolarHBondContact O-OD1 3.33Å
128Q96.1Very high94.7Very high88 Ų8860.5 Ų60.541%0.41131%0.314SS..Hα-helixtrans-66-46177.9-72.6-176.76.600111.6V120 N125 R130 N131 Y132V120-Q128 HydrophobicContact CG1-CB 4.04Å; N125-Q128 HydrophobicContact CB-CB 4.21Å; N125-Q128 HydrophobicContact CB-CG 4.5Å; N125-Q128 VanDerWaalsContact ND2-CD 3.29Å; N125-Q128 PolarHBondContact ND2-NE2 2.99Å; N125-Q128 PolarHBondContact O-N 3.38Å; N125-Q128 PolarHBondContact OD1-N 2.92Å; Q128-R130 VanDerWaalsContact C-N 3.32Å; Q128-R130 PolarHBondContact O-N 3.49Å; Q128-N131 PolarHBondContact O-N 3.3Å; Q128-N131 VanDerWaalsContact O-N 3.13Å; Q128-Y132 HydrophobicContact CB-CD2 4.44Å; Q128-Y132 HydrophobicContact CB-CE2 4.11Å; Q128-Y132 WeakPolarHBondContact O-CD2 3.42Å; Q128-Y132 PolarHBondContact O-N 2.99Å
129H95.9Very high94.8Very high17 Ų1762.7 Ų62.78%0.07932%0.322CS..Hα-helixtrans-54.5-48.2176.6-177.590.7000111.5S50 L117 V120 S122 N125 Y126 N131 Y132 F133S50-H129 PolarHBondContact OG-CE1 3.46Å; S50-H129 PolarHBondContact OG-NE2 3.35Å; L117-H129 WeakPolarHBondContact CD1-CE1 3.45Å; L117-H129 WeakPolarHBondContact CD1-O 3.29Å; L117-H129 PolarHBondContact O-ND1 3.49Å; V120-H129 PolarHBondContact O-ND1 3.44Å; S122-H129 PolarHBondContact N-ND1 3.25Å; N125-H129 WeakPolarHBondContact O-CB 3.32Å; N125-H129 PolarHBondContact O-N 3.34Å; Y126-H129 PolarHBondContact O-N 3.33Å; H129-N131 PolarHBondContact O-N 3.35Å; H129-Y132 PolarHBondContact O-N 3.22Å; H129-F133 PolarHBondContact O-N 3.07Å
130R95.2Very high95Very high118 Ų11859.3 Ų59.345%0.44531%0.305SS..Hα-helixtrans-59.3-45.2176.4-175.1-167.770.7-174.60.8111.9Y126 Q128 Y132 F133 C134Y126-R130 VanDerWaalsContact O-CB 3.29Å; Y126-R130 WeakPolarHBondContact O-CB 3.44Å; Y126-R130 PolarHBondContact O-N 3.08Å; Q128-R130 VanDerWaalsContact C-N 3.32Å; Q128-R130 PolarHBondContact O-N 3.49Å; R130-Y132 PolarHBondContact O-N 3.23Å; R130-F133 WeakPolarHBondContact O-CB 3.45Å; R130-F133 PolarHBondContact O-N 3.43Å; R130-C134 PolarHBondContact O-N 3.23Å; R130-C134 PolarHBondContact O-SG 3.49Å; R130-C134 VanDerWaalsContact O-SG 3.36Å
131N97Very high95.2Very high82 Ų8260 Ų6044%0.43931%0.309SS..Hα-helixtrans-64.3-41.1-179.4-68.7-7000111.6I127 Q128 H129 C134 A135I127-N131 PolarHBondContact O-N 3.2Å; I127-N131 PolarHBondContact O-OD1 3.33Å; Q128-N131 PolarHBondContact O-N 3.3Å; Q128-N131 VanDerWaalsContact O-N 3.13Å; H129-N131 PolarHBondContact O-N 3.35Å; N131-C134 PolarHBondContact O-N 3.48Å; N131-A135 WeakPolarHBondContact O-CB 3.29Å; N131-A135 PolarHBondContact O-N 2.9Å
132Y97.8Very high95.5Very high61 Ų6162.5 Ų62.524%0.23932%0.324CS..Hα-helixtrans-66.5-36.2174.4-67.1-53.5000112.6F112 M116 V120 Q128 H129 R130 A135 F136F112-Y132 HydrophobicContact CE1-CE1 4.46Å; M116-Y132 HydrophobicContact CB-CD1 3.52Å; M116-Y132 HydrophobicContact CB-CD2 3.71Å; M116-Y132 HydrophobicContact CB-CE1 3.52Å; M116-Y132 HydrophobicContact CB-CE2 3.7Å; M116-Y132 HydrophobicContact CB-CG 3.63Å; M116-Y132 HydrophobicContact CG-CD1 4.23Å; M116-Y132 HydrophobicContact CG-CE1 3.8Å; M116-Y132 HydrophobicContact CG-CE2 4.46Å; V120-Y132 HydrophobicContact CG2-CE2 4.06Å; Q128-Y132 HydrophobicContact CB-CD2 4.44Å; Q128-Y132 HydrophobicContact CB-CE2 4.11Å; Q128-Y132 WeakPolarHBondContact O-CD2 3.42Å; Q128-Y132 PolarHBondContact O-N 2.99Å; H129-Y132 PolarHBondContact O-N 3.22Å; R130-Y132 PolarHBondContact O-N 3.23Å; Y132-A135 PolarHBondContact O-N 2.92Å; Y132-F136 VanDerWaalsContact O-CB 3.28Å; Y132-F136 WeakPolarHBondContact O-CB 3.47Å; Y132-F136 PolarHBondContact O-N 3.4Å
133F96.3Very high95.8Very high63 Ų6361.1 Ų61.128%0.27631%0.313SS..Hα-helixtrans-61.7-49.1173.2-177.1-88.6000111.5L117 H129 R130 A135 F136 A137L117-F133 HydrophobicContact CD1-CB 3.8Å; L117-F133 HydrophobicContact CD1-CD2 4.38Å; L117-F133 HydrophobicContact CD2-CB 4.38Å; L117-F133 HydrophobicContact CD2-CD2 4.03Å; H129-F133 PolarHBondContact O-N 3.07Å; R130-F133 WeakPolarHBondContact O-CB 3.45Å; R130-F133 PolarHBondContact O-N 3.43Å; F133-A135 PolarHBondContact O-N 3.24Å; F133-F136 PolarHBondContact O-N 3.48Å; F133-A137 PolarHBondContact O-N 2.9Å
134C97Very high96.4Very high72 Ų7257.8 Ų57.849%0.48629%0.289SS..Hα-helixtrans-61.3-44.1177.2-68.80000111.8R130 N131 A137 L138R130-C134 PolarHBondContact O-N 3.23Å; R130-C134 PolarHBondContact O-SG 3.49Å; R130-C134 VanDerWaalsContact O-SG 3.36Å; N131-C134 PolarHBondContact O-N 3.48Å; C134-A137 PolarHBondContact O-N 2.68Å; C134-L138 VanDerWaalsContact O-CB 3.28Å; C134-L138 WeakPolarHBondContact O-CB 3.35Å; C134-L138 PolarHBondContact O-N 2.99Å
135A98.1Very high96.8Very high27 Ų2756.3 Ų56.322%0.22328%0.284CS..Hα-helixtrans-62.3-46.3176.800000111.4S113 N131 Y132 F133 L138 F139S113-A135 WeakPolarHBondContact OG-CB 3.47Å; N131-A135 WeakPolarHBondContact O-CB 3.29Å; N131-A135 PolarHBondContact O-N 2.9Å; Y132-A135 PolarHBondContact O-N 2.92Å; F133-A135 PolarHBondContact O-N 3.24Å; A135-L138 PolarHBondContact O-N 2.92Å; A135-F139 WeakPolarHBondContact O-CB 3.21Å; A135-F139 VanDerWaalsContact O-CD2 3.28Å; A135-F139 WeakPolarHBondContact O-CD2 3.35Å; A135-F139 PolarHBondContact O-N 3.2Å
136F98.3Very high96.9Very high23 Ų2354.9 Ų54.910%0.10128%0.277CS..Hα-helixtrans-55.4-54.6175.2168.9-110.4000111.4E110 L114 L117 Y132 F133 L138 F139 S140E110-F136 HydrophobicContact CG-CD2 3.69Å; E110-F136 HydrophobicContact CG-CE2 3.77Å; L114-F136 HydrophobicContact CB-CD2 3.75Å; L114-F136 HydrophobicContact CB-CE2 3.98Å; L114-F136 HydrophobicContact CD1-CD2 4.23Å; L114-F136 HydrophobicContact CD1-CE1 4.5Å; L114-F136 HydrophobicContact CD1-CE2 4Å; L114-F136 HydrophobicContact CD1-CZ 4.14Å; L114-F136 HydrophobicContact CD2-CE2 4.06Å; L114-F136 HydrophobicContact CG-CD2 4.43Å; L114-F136 HydrophobicContact CG-CE2 4.24Å; L117-F136 HydrophobicContact CD2-CD1 4.49Å; Y132-F136 VanDerWaalsContact O-CB 3.28Å; Y132-F136 WeakPolarHBondContact O-CB 3.47Å; Y132-F136 PolarHBondContact O-N 3.4Å; F133-F136 PolarHBondContact O-N 3.48Å; F136-L138 PolarHBondContact O-N 2.67Å; F136-F139 PolarHBondContact O-N 3.35Å; F136-S140 WeakPolarHBondContact CE2-OG 3.49Å; F136-S140 WeakPolarHBondContact O-CB 3.38Å; F136-S140 PolarHBondContact O-N 3.14Å; F136-S140 PolarHBondContact O-OG 2.93Å; F136-S140 VanDerWaalsContact O-OG 3.05Å
137A97.8Very high97.1Very high14 Ų1449.5 Ų49.512%0.11626%0.257CS..Hα-helixtrans-60.4-45.2-178.500000112.4F133 C134 V141 L181F133-A137 PolarHBondContact O-N 2.9Å; C134-A137 PolarHBondContact O-N 2.68Å; A137-V141 WeakPolarHBondContact O-CG2 3.32Å; A137-V141 PolarHBondContact O-N 2.96Å; A137-L181 HydrophobicContact CB-CD1 4.33Å; A137-L181 HydrophobicContact CB-CD2 4.14Å
138L98Very high97.1Very high107 Ų10745.1 Ų45.156%0.5624%0.235SC*.Hα-helixtrans-62.2-51.8179.1-179.765.6000111.4C134 A135 F136 S140 V141 V142C134-L138 VanDerWaalsContact O-CB 3.28Å; C134-L138 WeakPolarHBondContact O-CB 3.35Å; C134-L138 PolarHBondContact O-N 2.99Å; A135-L138 PolarHBondContact O-N 2.92Å; F136-L138 PolarHBondContact O-N 2.67Å; L138-S140 VanDerWaalsContact C-N 3.33Å; L138-S140 PolarHBondContact O-N 3.26Å; L138-V141 PolarHBondContact O-N 3.45Å; L138-V142 WeakPolarHBondContact O-CG2 3.37Å; L138-V142 PolarHBondContact O-N 3.3Å
139F98.4Very high96.9Very high57 Ų5746.4 Ų46.425%0.2524%0.237CC..Hα-helixtrans-72.3-25.4-177.5-78.8-76.5000112.9I109 E110 A135 F136 Y143I109-F139 HydrophobicContact CB-CD1 4.01Å; I109-F139 HydrophobicContact CB-CD2 4.18Å; I109-F139 HydrophobicContact CB-CE1 4.22Å; I109-F139 HydrophobicContact CB-CE2 4.39Å; I109-F139 HydrophobicContact CB-CG 3.98Å; I109-F139 HydrophobicContact CB-CZ 4.41Å; I109-F139 HydrophobicContact CD1-CD1 4.15Å; I109-F139 HydrophobicContact CD1-CE1 3.56Å; I109-F139 HydrophobicContact CD1-CE2 4.48Å; I109-F139 HydrophobicContact CD1-CZ 3.76Å; I109-F139 HydrophobicContact CG2-CB 4.43Å; I109-F139 HydrophobicContact CG2-CD1 4.07Å; I109-F139 HydrophobicContact CG2-CD2 3.35Å; I109-F139 HydrophobicContact CG2-CE1 4.14Å; I109-F139 HydrophobicContact CG2-CE2 3.46Å; I109-F139 VanDerWaalsContact CG2-CE2 3.46Å; I109-F139 HydrophobicContact CG2-CG 3.69Å; I109-F139 HydrophobicContact CG2-CZ 3.85Å; E110-F139 HydrophobicContact CB-CB 4.05Å; A135-F139 WeakPolarHBondContact O-CB 3.21Å; A135-F139 VanDerWaalsContact O-CD2 3.28Å; A135-F139 WeakPolarHBondContact O-CD2 3.35Å; A135-F139 PolarHBondContact O-N 3.2Å; F136-F139 PolarHBondContact O-N 3.35Å; F139-Y143 WeakPolarHBondContact O-CB 3.2Å; F139-Y143 PolarHBondContact O-N 2.97Å
140S98.1Very high96.7Very high0 Ų045.8 Ų45.80%023%0.234CC..Hα-helixtrans-60.3-46.2166.3-71.40000111.4E110 F136 L138 Y143 M144 N214E110-S140 VanDerWaalsContact CG-OG 3.29Å; E110-S140 WeakPolarHBondContact CG-OG 3.48Å; E110-S140 PolarHBondContact OE1-OG 3.41Å; F136-S140 WeakPolarHBondContact CE2-OG 3.49Å; F136-S140 WeakPolarHBondContact O-CB 3.38Å; F136-S140 PolarHBondContact O-N 3.14Å; F136-S140 PolarHBondContact O-OG 2.93Å; F136-S140 VanDerWaalsContact O-OG 3.05Å; L138-S140 VanDerWaalsContact C-N 3.33Å; L138-S140 PolarHBondContact O-N 3.26Å; S140-Y143 PolarHBondContact O-N 3.49Å; S140-M144 WeakPolarHBondContact O-CB 3.45Å; S140-M144 VanDerWaalsContact O-CG 3.23Å; S140-M144 WeakPolarHBondContact O-CG 3.28Å; S140-M144 PolarHBondContact O-N 3.2Å; S140-N214 PolarHBondContact OG-ND2 3.33Å
141V98Very high96.5Very high39 Ų3940.2 Ų40.224%0.23621%0.213CC..Hα-helixtrans-66.2-44.8179.2175.10000111.3A137 L138 Y143 M144 T145 Y177 L178 L181A137-V141 WeakPolarHBondContact O-CG2 3.32Å; A137-V141 PolarHBondContact O-N 2.96Å; L138-V141 PolarHBondContact O-N 3.45Å; V141-Y143 VanDerWaalsContact C-N 3.32Å; V141-Y143 PolarHBondContact O-N 3.01Å; V141-M144 PolarHBondContact O-N 3.02Å; V141-T145 WeakPolarHBondContact O-CB 3.19Å; V141-T145 PolarHBondContact O-N 3.42Å; V141-T145 PolarHBondContact O-OG1 3.32Å; V141-Y177 HydrophobicContact CG2-CD1 4.36Å; V141-Y177 HydrophobicContact CG2-CE1 4.06Å; V141-L178 HydrophobicContact CG2-CD1 4.47Å; V141-L181 HydrophobicContact CG2-CD1 3.63Å
142V97.6Very high96.2Very high59 Ų5940 Ų4036%0.35821%0.21SC..Hα-helixtrans-60.1-44.5176.3176.40000110.6L138 T145 T146L138-V142 WeakPolarHBondContact O-CG2 3.37Å; L138-V142 PolarHBondContact O-N 3.3Å; V142-T145 PolarHBondContact O-N 3.37Å; V142-T146 HydrophobicContact CG1-CG2 4.34Å; V142-T146 WeakPolarHBondContact O-CB 3.48Å; V142-T146 VanDerWaalsContact O-CG2 3.3Å; V142-T146 WeakPolarHBondContact O-CG2 3.27Å; V142-T146 PolarHBondContact O-N 3.33Å; V142-T146 PolarHBondContact O-OG1 3.02Å
143Y97.5Very high95.8Very high10 Ų1038.1 Ų38.14%0.03920%0.203CC..Hα-helixtrans-60-54.7175.8169.4-113.2000111.9P103 S106 F139 S140 V141 T145 T146 D147 Y217 H218P103-Y143 HydrophobicContact CB-CD2 4.12Å; P103-Y143 HydrophobicContact CB-CE2 4.19Å; P103-Y143 WeakPolarHBondContact O-CD2 3.33Å; S106-Y143 WeakPolarHBondContact OG-CA 3.18Å; S106-Y143 WeakPolarHBondContact OG-CB 3.2Å; F139-Y143 WeakPolarHBondContact O-CB 3.2Å; F139-Y143 PolarHBondContact O-N 2.97Å; S140-Y143 PolarHBondContact O-N 3.49Å; V141-Y143 VanDerWaalsContact C-N 3.32Å; V141-Y143 PolarHBondContact O-N 3.01Å; Y143-T145 PolarHBondContact O-N 3Å; Y143-T146 PolarHBondContact O-N 3.19Å; Y143-T146 PolarHBondContact O-OG1 2.95Å; Y143-T146 VanDerWaalsContact O-OG1 3.04Å; Y143-D147 HydrophobicContact CD2-CB 4.24Å; Y143-D147 HydrophobicContact CE2-CB 3.92Å; Y143-D147 WeakPolarHBondContact O-CB 3.44Å; Y143-D147 PolarHBondContact O-N 3.46Å; Y143-Y217 HydrophobicContact CD1-CE1 4.37Å; Y143-Y217 HydrophobicContact CE1-CD1 4.22Å; Y143-Y217 AromaticContact CE1-CE1 3.81Å; Y143-Y217 HydrophobicContact CE1-CE1 3.81Å; Y143-H218 AromaticContact CD1-CE1 3.63Å; Y143-H218 AromaticContact CE1-CE1 3.19Å; Y143-H218 WeakPolarHBondContact CE1-CE1 3.42Å; Y143-H218 AromaticContact CE1-ND1 3.68Å
144M98Very high95.3Very high1 Ų135.7 Ų35.71%0.00519%0.193CC..Hα-helixtrans-57.9-40.4-178.4-68.2179.8-174.700111.6S140 V141 V148 M174 Y177 N214 Y217S140-M144 WeakPolarHBondContact O-CB 3.45Å; S140-M144 VanDerWaalsContact O-CG 3.23Å; S140-M144 WeakPolarHBondContact O-CG 3.28Å; S140-M144 PolarHBondContact O-N 3.2Å; V141-M144 PolarHBondContact O-N 3.02Å; M144-V148 WeakPolarHBondContact O-CB 3.28Å; M144-V148 VanDerWaalsContact O-CG2 3.27Å; M144-V148 WeakPolarHBondContact O-CG2 3.32Å; M144-V148 PolarHBondContact O-N 3.42Å; M144-M174 HydrophobicContact CB-CB 4.24Å; M144-M174 HydrophobicContact CB-CG 3.75Å; M144-M174 HydrophobicContact CB-SD 3.92Å; M144-M174 HydrophobicContact SD-CB 4.28Å; M144-M174 HydrophobicContact SD-CG 4.26Å; M144-Y177 HydrophobicContact CE-CD1 4Å; M144-Y177 HydrophobicContact CE-CD2 4.45Å; M144-Y177 HydrophobicContact CE-CE1 4.28Å; M144-Y177 HydrophobicContact CE-CG 4.09Å; M144-Y177 HydrophobicContact SD-CD1 3.86Å; M144-Y177 HydrophobicContact SD-CE1 4.48Å; M144-Y177 HydrophobicContact SD-CG 4.21Å; M144-N214 HydrophobicContact CE-CB 4.49Å; M144-Y217 WeakPolarHBondContact CA-OH 3.22Å; M144-Y217 HydrophobicContact CB-CE1 4.2Å; M144-Y217 HydrophobicContact CB-CE2 3.97Å; M144-Y217 HydrophobicContact CE-CD1 4.14Å; M144-Y217 HydrophobicContact CE-CD2 4.23Å; M144-Y217 HydrophobicContact CE-CG 3.83Å; M144-Y217 HydrophobicContact CG-CD1 3.84Å; M144-Y217 HydrophobicContact CG-CD2 3.97Å; M144-Y217 HydrophobicContact CG-CE1 3.63Å; M144-Y217 HydrophobicContact CG-CE2 3.75Å; M144-Y217 HydrophobicContact CG-CG 4.03Å; M144-Y217 PolarHBondContact O-OH 2.86Å; M144-Y217 HydrophobicContact SD-CD1 4.48Å; M144-Y217 HydrophobicContact SD-CD2 3.94Å; M144-Y217 HydrophobicContact SD-CE2 4.18Å; M144-Y217 HydrophobicContact SD-CG 4.11Å
145T97.2Very high94.8Very high70 Ų7033.9 Ų33.943%0.42918%0.178SC..Hα-helixtrans-65.2-49.9178.8-55.10000111.7V141 V142 Y143 V148 Y149V141-T145 WeakPolarHBondContact O-CB 3.19Å; V141-T145 PolarHBondContact O-N 3.42Å; V141-T145 PolarHBondContact O-OG1 3.32Å; V142-T145 PolarHBondContact O-N 3.37Å; Y143-T145 PolarHBondContact O-N 3Å; T145-V148 PolarHBondContact O-N 2.85Å; T145-Y149 WeakPolarHBondContact O-CB 3.43Å; T145-Y149 PolarHBondContact O-N 3.42Å
146T94.8Very high94.2Very high24 Ų2440.9 Ų40.915%0.14720%0.203CC..Hα-helixtrans-69.1-35.4-178.553.90000112.2L102 P103 V142 Y143 Y149 V150L102-T146 HydrophobicContact CB-CG2 4.06Å; P103-T146 WeakPolarHBondContact CA-OG1 3.28Å; V142-T146 HydrophobicContact CG1-CG2 4.34Å; V142-T146 WeakPolarHBondContact O-CB 3.48Å; V142-T146 VanDerWaalsContact O-CG2 3.3Å; V142-T146 WeakPolarHBondContact O-CG2 3.27Å; V142-T146 PolarHBondContact O-N 3.33Å; V142-T146 PolarHBondContact O-OG1 3.02Å; Y143-T146 PolarHBondContact O-N 3.19Å; Y143-T146 PolarHBondContact O-OG1 2.95Å; Y143-T146 VanDerWaalsContact O-OG1 3.04Å; T146-Y149 WeakPolarHBondContact O-CB 3.35Å; T146-Y149 PolarHBondContact O-N 3.44Å; T146-V150 WeakPolarHBondContact O-CG2 3.45Å; T146-V150 PolarHBondContact O-N 2.81Å
147D95.2Very high93.4Very high6 Ų643.4 Ų43.43%0.03222%0.221CC..Hα-helixtrans-69.9-40.7176.1167.947.3000112.4P103 Y143 Y149 V150 L151 K170 Y217P103-D147 HydrophobicContact CB-CB 4.48Å; Y143-D147 HydrophobicContact CD2-CB 4.24Å; Y143-D147 HydrophobicContact CE2-CB 3.92Å; Y143-D147 WeakPolarHBondContact O-CB 3.44Å; Y143-D147 PolarHBondContact O-N 3.46Å; D147-Y149 VanDerWaalsContact C-N 3.32Å; D147-V150 PolarHBondContact O-N 3.35Å; D147-L151 VanDerWaalsContact O-CB 3.3Å; D147-L151 WeakPolarHBondContact O-CB 3.39Å; D147-L151 PolarHBondContact O-N 3.41Å; D147-K170 IonicContact OD1-NZ 3.24Å; D147-K170 PolarHBondContact OD1-NZ 2.96Å; D147-K170 WeakPolarHBondContact OD2-CE 3.32Å; D147-K170 IonicContact OD2-NZ 3.83Å; D147-K170 PolarHBondContact OD2-NZ 3.47Å; D147-Y217 WeakPolarHBondContact OD2-CE1 3.42Å; D147-Y217 PolarHBondContact OD2-OH 3.13Å
148V95.6Very high92.5Very high10 Ų1044.7 Ų44.76%0.06123%0.225CC..Hα-helixtrans-59.4-44.1168.3163.50000110.8M144 T145 L151 Q152 L167 K170 I171 M174M144-V148 WeakPolarHBondContact O-CB 3.28Å; M144-V148 VanDerWaalsContact O-CG2 3.27Å; M144-V148 WeakPolarHBondContact O-CG2 3.32Å; M144-V148 PolarHBondContact O-N 3.42Å; T145-V148 PolarHBondContact O-N 2.85Å; V148-L151 WeakPolarHBondContact O-CB 3.28Å; V148-L151 PolarHBondContact O-N 2.92Å; V148-Q152 WeakPolarHBondContact O-CG 3.28Å; V148-Q152 PolarHBondContact O-N 2.72Å; V148-L167 HydrophobicContact CG1-CD1 3.9Å; V148-K170 HydrophobicContact CG2-CB 4.13Å; V148-I171 HydrophobicContact CG1-CD1 4.36Å; V148-I171 HydrophobicContact CG1-CG1 3.88Å; V148-I171 HydrophobicContact CG2-CG1 4.32Å; V148-M174 HydrophobicContact CG2-SD 4.3Å
149Y93.4Very high91.6Very high114 Ų11449.2 Ų49.245%0.44724%0.243SC..Hα-helixtrans-62.3-47.3178.2178.4-110000112.4V99 T145 T146 D147 L151 Q152 L153V99-Y149 HydrophobicContact CG1-CD1 3.65Å; V99-Y149 HydrophobicContact CG1-CE1 3.5Å; V99-Y149 HydrophobicContact CG2-CE1 4.24Å; T145-Y149 WeakPolarHBondContact O-CB 3.43Å; T145-Y149 PolarHBondContact O-N 3.42Å; T146-Y149 WeakPolarHBondContact O-CB 3.35Å; T146-Y149 PolarHBondContact O-N 3.44Å; D147-Y149 VanDerWaalsContact C-N 3.32Å; Y149-L151 VanDerWaalsContact C-N 3.28Å; Y149-L151 PolarHBondContact O-N 2.96Å; Y149-Q152 WeakPolarHBondContact O-CB 3.47Å; Y149-Q152 PolarHBondContact O-N 3.05Å; Y149-Q152 VanDerWaalsContact O-N 3.17Å; Y149-L153 HydrophobicContact CD1-CD1 4.21Å; Y149-L153 HydrophobicContact CE1-CD1 3.69Å; Y149-L153 HydrophobicContact CE1-CG 4.34Å; Y149-L153 HydrophobicContact CE2-CD2 4.49Å; Y149-L153 WeakPolarHBondContact O-CG 3.36Å; Y149-L153 PolarHBondContact O-N 2.85Å
150V91.2Very high90.8Very high5 Ų547.2 Ų47.23%0.0324%0.236CC..Hα-helixtrans-59.5-40.2174.5167.20000111.6F89 V99 P103 T146 D147 L153 R154F89-V150 HydrophobicContact CE2-CG1 4.04Å; F89-V150 HydrophobicContact CZ-CG1 4.37Å; V99-V150 HydrophobicContact CG1-CG2 3.73Å; P103-V150 HydrophobicContact CG-CG2 3.8Å; T146-V150 WeakPolarHBondContact O-CG2 3.45Å; T146-V150 PolarHBondContact O-N 2.81Å; D147-V150 PolarHBondContact O-N 3.35Å; V150-L153 PolarHBondContact O-N 2.91Å; V150-R154 PolarHBondContact O-N 2.91Å
151L90.9Very high90.4Very high0 Ų051.8 Ų51.80%027%0.268CS..Hα-helixtrans-65.2-39.1176.7-176.159.5000112.5D147 V148 Y149 R154 L155 L163 I166 L167 K170D147-L151 VanDerWaalsContact O-CB 3.3Å; D147-L151 WeakPolarHBondContact O-CB 3.39Å; D147-L151 PolarHBondContact O-N 3.41Å; V148-L151 WeakPolarHBondContact O-CB 3.28Å; V148-L151 PolarHBondContact O-N 2.92Å; Y149-L151 VanDerWaalsContact C-N 3.28Å; Y149-L151 PolarHBondContact O-N 2.96Å; L151-R154 PolarHBondContact O-N 3.44Å; L151-L155 PolarHBondContact O-N 3.41Å; L151-L163 HydrophobicContact CD1-CD1 3.32Å; L151-L163 HydrophobicContact CD1-CD2 3.92Å; L151-L163 HydrophobicContact CD1-CG 3.52Å; L151-I166 HydrophobicContact CD2-CG2 4.08Å; L151-L167 HydrophobicContact CB-CD1 4.28Å; L151-L167 HydrophobicContact CD2-CB 3.8Å; L151-L167 HydrophobicContact CD2-CD1 3.89Å; L151-L167 HydrophobicContact CD2-CG 4.47Å; L151-L167 HydrophobicContact CG-CB 4.2Å; L151-L167 HydrophobicContact CG-CD1 4.06Å; L151-K170 HydrophobicContact CD2-CD 3.85Å
152Q91.4Very high90Very high79 Ų7953.8 Ų53.837%0.36927%0.274SS..Hα-helixtrans-63-41.9173-73.8174.9-20.800112V148 Y149 L155 K156 L167V148-Q152 WeakPolarHBondContact O-CG 3.28Å; V148-Q152 PolarHBondContact O-N 2.72Å; Y149-Q152 WeakPolarHBondContact O-CB 3.47Å; Y149-Q152 PolarHBondContact O-N 3.05Å; Y149-Q152 VanDerWaalsContact O-N 3.17Å; Q152-L155 PolarHBondContact O-N 2.87Å; Q152-K156 PolarHBondContact O-N 3.46Å; Q152-L167 HydrophobicContact CG-CD1 3.82Å; Q152-L167 HydrophobicContact CG-CD2 3.72Å; Q152-L167 HydrophobicContact CG-CG 4.44Å
153L87.9Confident89.7Confident20 Ų2052 Ų5211%0.10526%0.263CS..Hα-helixtrans-61.5-44.6175.8-67.9179000111.6F89 V99 Y149 V150 L155 K156F89-L153 HydrophobicContact CE1-CB 4.42Å; F89-L153 HydrophobicContact CZ-CB 4.3Å; V99-L153 HydrophobicContact CG1-CD1 3.9Å; Y149-L153 HydrophobicContact CD1-CD1 4.21Å; Y149-L153 HydrophobicContact CE1-CD1 3.69Å; Y149-L153 HydrophobicContact CE1-CG 4.34Å; Y149-L153 HydrophobicContact CE2-CD2 4.49Å; Y149-L153 WeakPolarHBondContact O-CG 3.36Å; Y149-L153 PolarHBondContact O-N 2.85Å; V150-L153 PolarHBondContact O-N 2.91Å; L153-L155 VanDerWaalsContact C-N 3.32Å; L153-L155 PolarHBondContact O-N 3.34Å; L153-K156 WeakPolarHBondContact O-CB 3.41Å; L153-K156 PolarHBondContact O-N 2.9Å; L153-K156 VanDerWaalsContact O-N 3.16Å
154R85.7Confident89.5Confident13 Ų1353.3 Ų53.35%0.04927%0.273CS..Hα-helixtrans-61.3-40175.9-74.1-175.8-68.6-171.4-4.9112.7F89 V150 L151 K156 T157 I158 L163F89-R154 HydrophobicContact CE2-CG 4.48Å; F89-R154 HydrophobicContact CZ-CG 3.98Å; V150-R154 PolarHBondContact O-N 2.91Å; L151-R154 PolarHBondContact O-N 3.44Å; R154-K156 PolarHBondContact O-N 2.81Å; R154-T157 PolarHBondContact O-N 3.48Å; R154-I158 PolarHBondContact O-N 3.25Å; R154-L163 HydrophobicContact CB-CD2 4.35Å
155L87.8Confident89.3Confident33 Ų3357.6 Ų57.617%0.17330%0.296CS..Hα-helixtrans-64.6-24.7177.1-89.2167.4000113.9L151 Q152 L153 T157 L163 L167L151-L155 PolarHBondContact O-N 3.41Å; Q152-L155 PolarHBondContact O-N 2.87Å; L153-L155 VanDerWaalsContact C-N 3.32Å; L153-L155 PolarHBondContact O-N 3.34Å; L155-T157 VanDerWaalsContact C-N 3.28Å; L155-L163 HydrophobicContact CD1-CG 4.33Å; L155-L163 HydrophobicContact CD2-CB 3.68Å; L155-L163 HydrophobicContact CD2-CD2 3.89Å; L155-L163 HydrophobicContact CD2-CG 3.91Å; L155-L163 HydrophobicContact CG-CB 4.2Å; L155-L163 HydrophobicContact CG-CD2 3.74Å; L155-L163 HydrophobicContact CG-CG 3.85Å; L155-L167 HydrophobicContact CD1-CB 3.78Å; L155-L167 HydrophobicContact CD1-CD2 3.48Å; L155-L167 VanDerWaalsContact CD1-CD2 3.48Å; L155-L167 HydrophobicContact CD1-CG 4.19Å
156K85.5Confident89.1Confident174 Ų17454.9 Ų54.976%0.75728%0.279SS*.Hα-helixtrans-71.3-26.1172.6-68.4177.8179.5-175.70112.4Q152 L153 R154Q152-K156 PolarHBondContact O-N 3.46Å; L153-K156 WeakPolarHBondContact O-CB 3.41Å; L153-K156 PolarHBondContact O-N 2.9Å; L153-K156 VanDerWaalsContact O-N 3.16Å; R154-K156 PolarHBondContact O-N 2.81Å
157T80.8Confident89.2Confident77 Ų7754.8 Ų54.847%0.47228%0.277SS..Hα-helixtrans-92-37.1178.7-54.20000112.1Y92 R154 L155Y92-T157 WeakPolarHBondContact OH-CG2 3.46Å; R154-T157 PolarHBondContact O-N 3.48Å; L155-T157 VanDerWaalsContact C-N 3.28Å
158I79.3Confident89.2Confident40 Ų4059.6 Ų59.621%0.20530%0.295CS..SBendtrans-120.7102.3-174.6-54.8171.4000108R154 S160R154-I158 PolarHBondContact O-N 3.25Å; I158-S160 PolarHBondContact O-N 3.47Å
159E78.4Confident89.3Confident202 Ų20263.3 Ų63.394%0.94431%0.31SS*.  trans-70.5100.3173.6-167.3174.1178.100109.4
160S83.1Confident89.6Confident15 Ų1557.9 Ų57.911%0.10529%0.289CS..  trans-135115.3-179.9-177.60000111I158 F162 L163 S164 N247I158-S160 PolarHBondContact O-N 3.47Å; S160-F162 PolarHBondContact O-N 2.85Å; S160-L163 PolarHBondContact O-N 2.9Å; S160-L163 VanDerWaalsContact O-N 3.16Å; S160-L163 PolarHBondContact OG-N 3.36Å; S160-S164 WeakPolarHBondContact O-CB 3.45Å; S160-S164 PolarHBondContact O-N 3.43Å; S160-N247 PolarHBondContact OG-ND2 3.32Å
161S88.5Confident89.9Confident96 Ų9660.5 Ų60.567%0.67130%0.302SS*.Hα-helixtrans-57.5-36174.662.30000112.1S164 N165S161-S164 WeakPolarHBondContact O-CB 3.3Å; S161-S164 PolarHBondContact O-N 3.1Å; S161-N165 PolarHBondContact O-N 2.9Å; S161-N165 PolarHBondContact O-ND2 3.26Å
162F90.2Very high90.2Very high82 Ų8269.1 Ų69.136%0.3634%0.335SS..Hα-helixtrans-61.5-50.3174.5175-102.3000112S160 S164 N165 I166 N223 V246S160-F162 PolarHBondContact O-N 2.85Å; F162-S164 VanDerWaalsContact C-N 3.29Å; F162-S164 PolarHBondContact O-N 3.28Å; F162-N165 WeakPolarHBondContact O-CB 3.4Å; F162-N165 PolarHBondContact O-N 3.26Å; F162-I166 HydrophobicContact CD1-CD1 4.02Å; F162-I166 HydrophobicContact CE1-CD1 3.36Å; F162-I166 HydrophobicContact CE1-CG1 4.4Å; F162-I166 HydrophobicContact CE2-CD1 4.28Å; F162-I166 HydrophobicContact CZ-CD1 3.52Å; F162-I166 HydrophobicContact CZ-CG1 4.38Å; F162-I166 PolarHBondContact O-N 3.25Å; F162-N223 WeakPolarHBondContact CZ-O 3.22Å; F162-V246 HydrophobicContact CD1-CB 4.36Å; F162-V246 HydrophobicContact CD1-CG1 4.05Å; F162-V246 HydrophobicContact CE1-CB 3.96Å; F162-V246 HydrophobicContact CE1-CG1 3.95Å; F162-V246 HydrophobicContact CE1-CG2 3.95Å; F162-V246 HydrophobicContact CZ-CG2 4.44Å
163L91Very high90.5Very high22 Ų2266.6 Ų66.612%0.11532%0.323CS..Hα-helixtrans-67.2-34-179.4-164.867000111.4L151 R154 L155 S160 I166 L167 T224L151-L163 HydrophobicContact CD1-CD1 3.32Å; L151-L163 HydrophobicContact CD1-CD2 3.92Å; L151-L163 HydrophobicContact CD1-CG 3.52Å; R154-L163 HydrophobicContact CB-CD2 4.35Å; L155-L163 HydrophobicContact CD1-CG 4.33Å; L155-L163 HydrophobicContact CD2-CB 3.68Å; L155-L163 HydrophobicContact CD2-CD2 3.89Å; L155-L163 HydrophobicContact CD2-CG 3.91Å; L155-L163 HydrophobicContact CG-CB 4.2Å; L155-L163 HydrophobicContact CG-CD2 3.74Å; L155-L163 HydrophobicContact CG-CG 3.85Å; S160-L163 PolarHBondContact O-N 2.9Å; S160-L163 VanDerWaalsContact O-N 3.16Å; S160-L163 PolarHBondContact OG-N 3.36Å; L163-I166 PolarHBondContact O-N 3.01Å; L163-L167 PolarHBondContact O-N 2.95Å; L163-T224 HydrophobicContact CD1-CG2 4.4Å
164S92.5Very high91Very high37 Ų3767.5 Ų67.526%0.25933%0.328SS..Hα-helixtrans-62.9-40.3173.1-173.20000112S160 S161 F162 L167 R168S160-S164 WeakPolarHBondContact O-CB 3.45Å; S160-S164 PolarHBondContact O-N 3.43Å; S161-S164 WeakPolarHBondContact O-CB 3.3Å; S161-S164 PolarHBondContact O-N 3.1Å; F162-S164 VanDerWaalsContact C-N 3.29Å; F162-S164 PolarHBondContact O-N 3.28Å; S164-L167 PolarHBondContact O-N 3.17Å; S164-R168 PolarHBondContact O-N 2.9Å; S164-R168 PolarHBondContact OG-NH1 3.14Å
165N93.9Very high91.6Very high91 Ų9170.4 Ų70.449%0.48735%0.347SS..Hα-helixtrans-62.7-44.6172.4-79.6-38.3000112.1S161 F162 R168 K169S161-N165 PolarHBondContact O-N 2.9Å; S161-N165 PolarHBondContact O-ND2 3.26Å; F162-N165 WeakPolarHBondContact O-CB 3.4Å; F162-N165 PolarHBondContact O-N 3.26Å; N165-R168 PolarHBondContact O-N 2.9Å; N165-R168 PolarHBondContact OD1-NH2 3.4Å; N165-K169 PolarHBondContact O-N 3.16Å
166I94.6Very high92.1Very high12 Ų1273.8 Ų73.86%0.06236%0.36CS..Hα-helixtrans-60.4-46.3175.8-68.8178.8000110.5L151 F162 L163 R168 K169 K170 T220 N223 T224L151-I166 HydrophobicContact CD2-CG2 4.08Å; F162-I166 HydrophobicContact CD1-CD1 4.02Å; F162-I166 HydrophobicContact CE1-CD1 3.36Å; F162-I166 HydrophobicContact CE1-CG1 4.4Å; F162-I166 HydrophobicContact CE2-CD1 4.28Å; F162-I166 HydrophobicContact CZ-CD1 3.52Å; F162-I166 HydrophobicContact CZ-CG1 4.38Å; F162-I166 PolarHBondContact O-N 3.25Å; L163-I166 PolarHBondContact O-N 3.01Å; I166-R168 PolarHBondContact O-N 3.38Å; I166-K169 PolarHBondContact O-N 3.49Å; I166-K170 HydrophobicContact CG2-CD 3.73Å; I166-K170 HydrophobicContact CG2-CG 4.27Å; I166-K170 WeakPolarHBondContact O-CG 3.27Å; I166-K170 PolarHBondContact O-N 3.4Å; I166-T220 HydrophobicContact CG2-CG2 4.1Å; I166-N223 HydrophobicContact CD1-CB 4.05Å; I166-T224 HydrophobicContact CD1-CG2 4.15Å; I166-T224 HydrophobicContact CG2-CG2 4.11Å
167L95.6Very high92.8Very high22 Ų2265.8 Ų65.812%0.11533%0.325CS..Hα-helixtrans-56.9-50.1178.1176.266.3000111.4V148 L151 Q152 L155 L163 S164 K169 K170 I171V148-L167 HydrophobicContact CG1-CD1 3.9Å; L151-L167 HydrophobicContact CB-CD1 4.28Å; L151-L167 HydrophobicContact CD2-CB 3.8Å; L151-L167 HydrophobicContact CD2-CD1 3.89Å; L151-L167 HydrophobicContact CD2-CG 4.47Å; L151-L167 HydrophobicContact CG-CB 4.2Å; L151-L167 HydrophobicContact CG-CD1 4.06Å; Q152-L167 HydrophobicContact CG-CD1 3.82Å; Q152-L167 HydrophobicContact CG-CD2 3.72Å; Q152-L167 HydrophobicContact CG-CG 4.44Å; L155-L167 HydrophobicContact CD1-CB 3.78Å; L155-L167 HydrophobicContact CD1-CD2 3.48Å; L155-L167 VanDerWaalsContact CD1-CD2 3.48Å; L155-L167 HydrophobicContact CD1-CG 4.19Å; L163-L167 PolarHBondContact O-N 2.95Å; S164-L167 PolarHBondContact O-N 3.17Å; L167-K169 VanDerWaalsContact C-N 3.28Å; L167-K169 PolarHBondContact O-N 2.97Å; L167-K170 PolarHBondContact O-N 3.42Å; L167-I171 HydrophobicContact CD1-CD1 3.97Å; L167-I171 HydrophobicContact CD1-CG1 4.23Å; L167-I171 HydrophobicContact CG-CD1 3.92Å; L167-I171 WeakPolarHBondContact O-CG1 3.37Å; L167-I171 PolarHBondContact O-N 3.2Å
168R96.9Very high93.6Very high108 Ų10866 Ų6641%0.40832%0.323SS..Hα-helixtrans-56.5-43177-77.2-169.5-73.3-85.34.3112.1S164 N165 I166 R172S164-R168 PolarHBondContact O-N 2.9Å; S164-R168 PolarHBondContact OG-NH1 3.14Å; N165-R168 PolarHBondContact O-N 2.9Å; N165-R168 PolarHBondContact OD1-NH2 3.4Å; I166-R168 PolarHBondContact O-N 3.38Å; R168-R172 WeakPolarHBondContact O-CG 3.45Å; R168-R172 PolarHBondContact O-N 3.35Å; R168-R172 VanDerWaalsContact O-N 3.11Å
169K97.3Very high94.5Very high88 Ų8867.8 Ų67.838%0.38334%0.336SS..Hα-helixtrans-63.9-44.5177.7-172.3178.4178.1-173.20111.5N165 I166 L167 R172 L173 T220N165-K169 PolarHBondContact O-N 3.16Å; I166-K169 PolarHBondContact O-N 3.49Å; L167-K169 VanDerWaalsContact C-N 3.28Å; L167-K169 PolarHBondContact O-N 2.97Å; K169-R172 PolarHBondContact O-N 3.33Å; K169-L173 HydrophobicContact CG-CD1 3.96Å; K169-L173 WeakPolarHBondContact O-CG 3.47Å; K169-L173 PolarHBondContact O-N 3.37Å; K169-T220 HydrophobicContact CD-CG2 3.95Å; K169-T220 WeakPolarHBondContact CE-OG1 3.48Å; K169-T220 HydrophobicContact CG-CG2 4.31Å; K169-T220 PolarHBondContact NZ-OG1 3.45Å
170K98.1Very high95.4Very high0 Ų058.6 Ų58.60%029%0.294CS..Hα-helixtrans-64.1-42.5179-71.1177.171.9152.10112.1D147 V148 L151 I166 L167 R172 L173 M174 Y217 T220 T221D147-K170 IonicContact OD1-NZ 3.24Å; D147-K170 PolarHBondContact OD1-NZ 2.96Å; D147-K170 WeakPolarHBondContact OD2-CE 3.32Å; D147-K170 IonicContact OD2-NZ 3.83Å; D147-K170 PolarHBondContact OD2-NZ 3.47Å; V148-K170 HydrophobicContact CG2-CB 4.13Å; L151-K170 HydrophobicContact CD2-CD 3.85Å; I166-K170 HydrophobicContact CG2-CD 3.73Å; I166-K170 HydrophobicContact CG2-CG 4.27Å; I166-K170 WeakPolarHBondContact O-CG 3.27Å; I166-K170 PolarHBondContact O-N 3.4Å; L167-K170 PolarHBondContact O-N 3.42Å; K170-R172 PolarHBondContact O-N 3.32Å; K170-L173 PolarHBondContact O-N 3.23Å; K170-M174 VanDerWaalsContact O-CB 3.32Å; K170-M174 WeakPolarHBondContact O-CB 3.44Å; K170-M174 PolarHBondContact O-N 3.13Å; K170-Y217 HydrophobicContact CB-CE2 3.79Å; K170-Y217 VanDerWaalsContact CE-CZ 3.49Å; K170-Y217 WeakPolarHBondContact CE-OH 3.38Å; K170-Y217 HydrophobicContact CG-CE2 4.15Å; K170-Y217 WeakPolarHBondContact O-CE2 3.33Å; K170-T220 HydrophobicContact CD-CG2 4.23Å; K170-T220 HydrophobicContact CG-CG2 3.7Å; K170-T221 PolarHBondContact NZ-OG1 3.03Å
171I98.1Very high96.1Very high60 Ų6059 Ų5931%0.30829%0.294SS..Hα-helixtrans-59.4-49.2174.5-68.2169.7000110.6V148 L167 L173 M174 T175V148-I171 HydrophobicContact CG1-CD1 4.36Å; V148-I171 HydrophobicContact CG1-CG1 3.88Å; V148-I171 HydrophobicContact CG2-CG1 4.32Å; L167-I171 HydrophobicContact CD1-CD1 3.97Å; L167-I171 HydrophobicContact CD1-CG1 4.23Å; L167-I171 HydrophobicContact CG-CD1 3.92Å; L167-I171 WeakPolarHBondContact O-CG1 3.37Å; L167-I171 PolarHBondContact O-N 3.2Å; I171-L173 VanDerWaalsContact C-N 3.34Å; I171-L173 PolarHBondContact O-N 3.25Å; I171-M174 PolarHBondContact O-N 2.97Å; I171-T175 WeakPolarHBondContact O-CB 3.36Å; I171-T175 PolarHBondContact O-N 2.85Å; I171-T175 PolarHBondContact O-OG1 2.74Å
172R98.2Very high96.6Very high181 Ų18159.2 Ų59.268%0.68329%0.288SS*.Hα-helixtrans-59.1-43.8178.2-70.7174.9-171.6170.21.2112.4R168 K169 K170 F176R168-R172 WeakPolarHBondContact O-CG 3.45Å; R168-R172 PolarHBondContact O-N 3.35Å; R168-R172 VanDerWaalsContact O-N 3.11Å; K169-R172 PolarHBondContact O-N 3.33Å; K170-R172 PolarHBondContact O-N 3.32Å; R172-F176 WeakPolarHBondContact O-CB 3.36Å; R172-F176 PolarHBondContact O-N 2.98Å
173L98.1Very high96.9Very high25 Ų2557.8 Ų57.813%0.13129%0.286CS..Hα-helixtrans-65.9-43178.1-73.2166.3000112.1K169 K170 I171 F176 Y177 I216 Y217K169-L173 HydrophobicContact CG-CD1 3.96Å; K169-L173 WeakPolarHBondContact O-CG 3.47Å; K169-L173 PolarHBondContact O-N 3.37Å; K170-L173 PolarHBondContact O-N 3.23Å; I171-L173 VanDerWaalsContact C-N 3.34Å; I171-L173 PolarHBondContact O-N 3.25Å; L173-F176 PolarHBondContact O-N 2.96Å; L173-Y177 WeakPolarHBondContact O-CB 3.33Å; L173-Y177 PolarHBondContact O-N 3.43Å; L173-I216 HydrophobicContact CD1-CG2 3.8Å; L173-I216 HydrophobicContact CD2-CB 4.23Å; L173-I216 HydrophobicContact CD2-CG2 3.78Å; L173-I216 HydrophobicContact CG-CG2 4.47Å; L173-Y217 HydrophobicContact CB-CD2 3.91Å
174M98.2Very high97.2Very high40 Ų4057.2 Ų57.220%0.19728%0.283CS..Hα-helixtrans-62.5-46.1176.2-179.9-175.27600111.3M144 V148 K170 I171 Y177 L178 Y217M144-M174 HydrophobicContact CB-CB 4.24Å; M144-M174 HydrophobicContact CB-CG 3.75Å; M144-M174 HydrophobicContact CB-SD 3.92Å; M144-M174 HydrophobicContact SD-CB 4.28Å; M144-M174 HydrophobicContact SD-CG 4.26Å; V148-M174 HydrophobicContact CG2-SD 4.3Å; K170-M174 VanDerWaalsContact O-CB 3.32Å; K170-M174 WeakPolarHBondContact O-CB 3.44Å; K170-M174 PolarHBondContact O-N 3.13Å; I171-M174 PolarHBondContact O-N 2.97Å; M174-Y177 PolarHBondContact O-N 2.74Å; M174-L178 WeakPolarHBondContact O-CB 3.12Å; M174-L178 PolarHBondContact O-N 3.36Å; M174-Y217 HydrophobicContact CB-CE2 4.19Å
175T98.3Very high97.4Very high74 Ų7460.9 Ų60.945%0.45430%0.298SS..Hα-helixtrans-61.1-45.8176.1-58.80000111.2I171 L178 V179I171-T175 WeakPolarHBondContact O-CB 3.36Å; I171-T175 PolarHBondContact O-N 2.85Å; I171-T175 PolarHBondContact O-OG1 2.74Å; T175-L178 PolarHBondContact O-N 3.18Å; T175-V179 WeakPolarHBondContact O-CG2 3.22Å; T175-V179 PolarHBondContact O-N 3.5Å
176F98.5Very high97.5Very high104 Ų10461.5 Ų61.546%0.45630%0.301SS..Hα-helixtrans-60.6-46.6176.6178.1-101.3000111.9R172 L173 L178 V179 C180 A209 A213R172-F176 WeakPolarHBondContact O-CB 3.36Å; R172-F176 PolarHBondContact O-N 2.98Å; L173-F176 PolarHBondContact O-N 2.96Å; F176-L178 VanDerWaalsContact C-N 3.35Å; F176-L178 PolarHBondContact O-N 2.94Å; F176-V179 PolarHBondContact O-N 3.26Å; F176-C180 PolarHBondContact O-N 3.48Å; F176-C180 PolarHBondContact O-SG 3.35Å; F176-C180 VanDerWaalsContact O-SG 3.36Å; F176-A209 HydrophobicContact CE1-CB 4.37Å; F176-A209 HydrophobicContact CZ-CB 4.17Å; F176-A213 HydrophobicContact CD1-CB 3.67Å; F176-A213 HydrophobicContact CE1-CB 3.93Å
177Y98.5Very high97.5Very high5 Ų561.8 Ų61.82%0.0230%0.304CS..Hα-helixtrans-58.8-44.2176.5-178.9-102.2000112V141 M144 L173 M174 V179 C180 L181 A210 A213 N214V141-Y177 HydrophobicContact CG2-CD1 4.36Å; V141-Y177 HydrophobicContact CG2-CE1 4.06Å; M144-Y177 HydrophobicContact CE-CD1 4Å; M144-Y177 HydrophobicContact CE-CD2 4.45Å; M144-Y177 HydrophobicContact CE-CE1 4.28Å; M144-Y177 HydrophobicContact CE-CG 4.09Å; M144-Y177 HydrophobicContact SD-CD1 3.86Å; M144-Y177 HydrophobicContact SD-CE1 4.48Å; M144-Y177 HydrophobicContact SD-CG 4.21Å; L173-Y177 WeakPolarHBondContact O-CB 3.33Å; L173-Y177 PolarHBondContact O-N 3.43Å; M174-Y177 PolarHBondContact O-N 2.74Å; Y177-V179 PolarHBondContact O-N 3.46Å; Y177-C180 WeakPolarHBondContact O-CB 3.29Å; Y177-C180 PolarHBondContact O-N 3.28Å; Y177-L181 HydrophobicContact CD1-CD1 4.01Å; Y177-L181 HydrophobicContact CD1-CG 4.31Å; Y177-L181 HydrophobicContact CE1-CD1 3.47Å; Y177-L181 VanDerWaalsContact CE1-CD1 3.47Å; Y177-L181 HydrophobicContact CE1-CD2 4.4Å; Y177-L181 HydrophobicContact CE1-CG 3.96Å; Y177-L181 WeakPolarHBondContact O-CG 3.31Å; Y177-L181 PolarHBondContact O-N 2.94Å; Y177-A210 HydrophobicContact CD2-CB 4.21Å; Y177-A210 WeakPolarHBondContact CD2-O 3.28Å; Y177-A210 HydrophobicContact CE2-CB 4.1Å; Y177-A210 WeakPolarHBondContact CE2-O 3.45Å; Y177-A213 HydrophobicContact CD2-CB 4.2Å; Y177-N214 HydrophobicContact CD2-CB 4.38Å; Y177-N214 HydrophobicContact CE2-CB 4.01Å
178L98.1Very high97.4Very high82 Ų8265 Ų6543%0.42932%0.317SS..Hα-helixtrans-62.4-42.3176.9-176.464.1000112.1V141 M174 T175 F176 C180 L181 L182V141-L178 HydrophobicContact CG2-CD1 4.47Å; M174-L178 WeakPolarHBondContact O-CB 3.12Å; M174-L178 PolarHBondContact O-N 3.36Å; T175-L178 PolarHBondContact O-N 3.18Å; F176-L178 VanDerWaalsContact C-N 3.35Å; F176-L178 PolarHBondContact O-N 2.94Å; L178-C180 VanDerWaalsContact C-N 3.35Å; L178-L181 PolarHBondContact O-N 3.42Å; L178-L182 WeakPolarHBondContact O-CG 3.26Å; L178-L182 PolarHBondContact O-N 3.48Å
179V98.4Very high97.3Very high77 Ų7766.9 Ų66.947%0.46732%0.324SS..Hα-helixtrans-61-44.9174.3171.80000110.5T175 F176 Y177 L181 L182 V183T175-V179 WeakPolarHBondContact O-CG2 3.22Å; T175-V179 PolarHBondContact O-N 3.5Å; F176-V179 PolarHBondContact O-N 3.26Å; Y177-V179 PolarHBondContact O-N 3.46Å; V179-L181 VanDerWaalsContact C-N 3.34Å; V179-L181 PolarHBondContact O-N 3.45Å; V179-L182 PolarHBondContact O-N 3.21Å; V179-V183 HydrophobicContact CG1-CG2 4.4Å; V179-V183 WeakPolarHBondContact O-CG2 3.46Å; V179-V183 PolarHBondContact O-N 2.89Å
180C98.3Very high97.2Very high9 Ų965.8 Ų65.86%0.06132%0.322CS..Hα-helixtrans-58.9-43.1175.1-67.20000112.2F176 Y177 L178 L182 V183 L184 V206 A210F176-C180 PolarHBondContact O-N 3.48Å; F176-C180 PolarHBondContact O-SG 3.35Å; F176-C180 VanDerWaalsContact O-SG 3.36Å; Y177-C180 WeakPolarHBondContact O-CB 3.29Å; Y177-C180 PolarHBondContact O-N 3.28Å; L178-C180 VanDerWaalsContact C-N 3.35Å; C180-L182 PolarHBondContact O-N 3.39Å; C180-V183 PolarHBondContact O-N 3.29Å; C180-L184 WeakPolarHBondContact O-CB 3.36Å; C180-L184 VanDerWaalsContact O-CG 3.29Å; C180-L184 WeakPolarHBondContact O-CG 3.47Å; C180-L184 PolarHBondContact O-N 2.91Å; C180-V206 HydrophobicContact CB-CG1 3.95Å; C180-V206 WeakPolarHBondContact O-CG1 3.35Å; C180-A210 HydrophobicContact CB-CB 3.83Å
181L97.9Very high96.8Very high23 Ų2366.4 Ų66.412%0.1233%0.325CS..Hα-helixtrans-61.8-42.9177-70.2-175.8000112.5A137 V141 Y177 L178 V179 L184 I185A137-L181 HydrophobicContact CB-CD1 4.33Å; A137-L181 HydrophobicContact CB-CD2 4.14Å; V141-L181 HydrophobicContact CG2-CD1 3.63Å; Y177-L181 HydrophobicContact CD1-CD1 4.01Å; Y177-L181 HydrophobicContact CD1-CG 4.31Å; Y177-L181 HydrophobicContact CE1-CD1 3.47Å; Y177-L181 VanDerWaalsContact CE1-CD1 3.47Å; Y177-L181 HydrophobicContact CE1-CD2 4.4Å; Y177-L181 HydrophobicContact CE1-CG 3.96Å; Y177-L181 WeakPolarHBondContact O-CG 3.31Å; Y177-L181 PolarHBondContact O-N 2.94Å; L178-L181 PolarHBondContact O-N 3.42Å; V179-L181 VanDerWaalsContact C-N 3.34Å; V179-L181 PolarHBondContact O-N 3.45Å; L181-L184 HydrophobicContact CD2-CD1 4.34Å; L181-L184 PolarHBondContact O-N 3.29Å; L181-I185 WeakPolarHBondContact O-CG1 3.43Å; L181-I185 PolarHBondContact O-N 2.96Å
182L97.6Very high96.5Very high101 Ų10168.4 Ų68.453%0.52933%0.334SS..Hα-helixtrans-62.5-45.1176.4-69172.2000111.4L178 V179 C180 L184 I185 L186L178-L182 WeakPolarHBondContact O-CG 3.26Å; L178-L182 PolarHBondContact O-N 3.48Å; V179-L182 PolarHBondContact O-N 3.21Å; C180-L182 PolarHBondContact O-N 3.39Å; L182-L184 VanDerWaalsContact C-N 3.34Å; L182-L184 PolarHBondContact O-N 3.49Å; L182-I185 PolarHBondContact O-N 2.88Å; L182-L186 WeakPolarHBondContact O-CG 3.28Å; L182-L186 PolarHBondContact O-N 2.9Å; L182-L186 VanDerWaalsContact O-N 3.09Å
183V97.5Very high96.3Very high52 Ų5263.4 Ų63.432%0.31532%0.324SS..Hα-helixtrans-63.5-39.9176.81760000111V179 C180 I185 L186 C187 V206V179-V183 HydrophobicContact CG1-CG2 4.4Å; V179-V183 WeakPolarHBondContact O-CG2 3.46Å; V179-V183 PolarHBondContact O-N 2.89Å; C180-V183 PolarHBondContact O-N 3.29Å; V183-I185 PolarHBondContact O-N 3.46Å; V183-L186 PolarHBondContact O-N 3.09Å; V183-C187 WeakPolarHBondContact O-CB 3.42Å; V183-C187 PolarHBondContact O-N 2.74Å; V183-C187 PolarHBondContact O-SG 3.39Å; V183-V206 HydrophobicContact CB-CG1 4.09Å; V183-V206 HydrophobicContact CG1-CB 4.47Å; V183-V206 HydrophobicContact CG1-CG1 4.01Å; V183-V206 HydrophobicContact CG1-CG2 3.84Å
184L97Very high96Very high10 Ų1068.7 Ų68.75%0.05235%0.346CS..Hα-helixtrans-60.2-44.3175.7-78.8166.2000112.5C180 L181 L182 L186 C187 F188 F203 V206 E207 A210C180-L184 WeakPolarHBondContact O-CB 3.36Å; C180-L184 VanDerWaalsContact O-CG 3.29Å; C180-L184 WeakPolarHBondContact O-CG 3.47Å; C180-L184 PolarHBondContact O-N 2.91Å; L181-L184 HydrophobicContact CD2-CD1 4.34Å; L181-L184 PolarHBondContact O-N 3.29Å; L182-L184 VanDerWaalsContact C-N 3.34Å; L182-L184 PolarHBondContact O-N 3.49Å; L184-L186 VanDerWaalsContact C-N 3.33Å; L184-L186 PolarHBondContact O-N 3.25Å; L184-C187 PolarHBondContact O-N 2.89Å; L184-F188 VanDerWaalsContact O-CB 3.27Å; L184-F188 WeakPolarHBondContact O-CB 3.36Å; L184-F188 PolarHBondContact O-N 3.47Å; L184-F203 HydrophobicContact CB-CE2 4.31Å; L184-F203 HydrophobicContact CD2-CD1 4.48Å; L184-F203 HydrophobicContact CD2-CD2 3.65Å; L184-F203 HydrophobicContact CD2-CE1 4.39Å; L184-F203 HydrophobicContact CD2-CE2 3.54Å; L184-F203 HydrophobicContact CD2-CG 4.13Å; L184-F203 HydrophobicContact CD2-CZ 3.94Å; L184-F203 WeakPolarHBondContact CD2-O 3.2Å; L184-V206 HydrophobicContact CD1-CG1 4.46Å; L184-V206 HydrophobicContact CD2-CB 4.1Å; L184-V206 HydrophobicContact CD2-CG1 4.18Å; L184-V206 HydrophobicContact CG-CB 4.27Å; L184-V206 HydrophobicContact CG-CG1 3.79Å; L184-E207 HydrophobicContact CD2-CB 3.89Å; L184-A210 HydrophobicContact CD1-CB 4.17Å
185I96Very high95.6Very high114 Ų11467.9 Ų67.959%0.58534%0.344SS*.Hα-helixtrans-60.5-45.2176.5-67.8165.2000110.2L181 L182 V183 F188 W189L181-I185 WeakPolarHBondContact O-CG1 3.43Å; L181-I185 PolarHBondContact O-N 2.96Å; L182-I185 PolarHBondContact O-N 2.88Å; V183-I185 PolarHBondContact O-N 3.46Å; I185-F188 PolarHBondContact O-N 3.01Å; I185-W189 WeakPolarHBondContact O-CB 3.31Å; I185-W189 PolarHBondContact O-N 2.78Å
186L96.3Very high95.3Very high104 Ų10466.4 Ų66.455%0.54534%0.336SS..Hα-helixtrans-63.9-47.6177.4-68.1173.8000112L182 V183 L184 F188 W189 I190L182-L186 WeakPolarHBondContact O-CG 3.28Å; L182-L186 PolarHBondContact O-N 2.9Å; L182-L186 VanDerWaalsContact O-N 3.09Å; V183-L186 PolarHBondContact O-N 3.09Å; L184-L186 VanDerWaalsContact C-N 3.33Å; L184-L186 PolarHBondContact O-N 3.25Å; L186-F188 VanDerWaalsContact C-N 3.33Å; L186-F188 PolarHBondContact O-N 3.44Å; L186-W189 PolarHBondContact O-N 3.47Å; L186-I190 VanDerWaalsContact O-CG1 3.3Å; L186-I190 WeakPolarHBondContact O-CG1 3.13Å; L186-I190 PolarHBondContact O-N 2.81Å
187C95.1Very high94.8Very high18 Ų1865.2 Ų65.212%0.12234%0.338CS..Hα-helixtrans-61.3-41.3177.7-72.80000111.8V183 L184 I190 H191 F203V183-C187 WeakPolarHBondContact O-CB 3.42Å; V183-C187 PolarHBondContact O-N 2.74Å; V183-C187 PolarHBondContact O-SG 3.39Å; L184-C187 PolarHBondContact O-N 2.89Å; C187-I190 PolarHBondContact O-N 3.22Å; C187-H191 VanDerWaalsContact O-CB 3.31Å; C187-H191 WeakPolarHBondContact O-CB 3.43Å; C187-H191 PolarHBondContact O-N 2.94Å; C187-F203 HydrophobicContact CB-CB 4.08Å; C187-F203 HydrophobicContact CB-CD2 4.05Å
188F92.6Very high94.5Very high91 Ų9170.1 Ų70.140%0.39936%0.358SS..Hα-helixtrans-63-47.2175.6-178.9-102.4000111.2L184 I185 L186 I190 H191 M192 F203L184-F188 VanDerWaalsContact O-CB 3.27Å; L184-F188 WeakPolarHBondContact O-CB 3.36Å; L184-F188 PolarHBondContact O-N 3.47Å; I185-F188 PolarHBondContact O-N 3.01Å; L186-F188 VanDerWaalsContact C-N 3.33Å; L186-F188 PolarHBondContact O-N 3.44Å; F188-I190 PolarHBondContact O-N 3.36Å; F188-H191 PolarHBondContact O-N 3.4Å; F188-M192 HydrophobicContact CD1-CG 4.22Å; F188-M192 HydrophobicContact CD2-CG 4.22Å; F188-M192 HydrophobicContact CE1-CG 3.82Å; F188-M192 HydrophobicContact CE2-CG 3.81Å; F188-M192 HydrophobicContact CE2-SD 4.06Å; F188-M192 HydrophobicContact CG-CG 4.41Å; F188-M192 HydrophobicContact CZ-CG 3.59Å; F188-M192 HydrophobicContact CZ-SD 4.08Å; F188-M192 WeakPolarHBondContact O-CB 3.3Å; F188-M192 VanDerWaalsContact O-CG 3.29Å; F188-M192 WeakPolarHBondContact O-CG 3.29Å; F188-M192 PolarHBondContact O-N 2.89Å; F188-F203 HydrophobicContact CB-CD2 4.25Å; F188-F203 HydrophobicContact CB-CE2 3.97Å; F188-F203 HydrophobicContact CD2-CE2 4.48Å
189W94.7Very high94.1Very high146 Ų14666.9 Ų66.955%0.55334%0.342SS*.Hα-helixtrans-60.4-44.5177.2177.974.8000112.3I185 L186 M192 T193 F194I185-W189 WeakPolarHBondContact O-CB 3.31Å; I185-W189 PolarHBondContact O-N 2.78Å; L186-W189 PolarHBondContact O-N 3.47Å; W189-M192 PolarHBondContact O-N 3.25Å; W189-T193 VanDerWaalsContact O-CB 3.26Å; W189-T193 WeakPolarHBondContact O-CB 3.45Å; W189-T193 PolarHBondContact O-N 2.77Å; W189-T193 PolarHBondContact O-OG1 3.33Å; W189-F194 HydrophobicContact CH2-CE2 4.09Å; W189-F194 HydrophobicContact CZ3-CE2 4.17Å
190I95.3Very high93.7Very high65 Ų6564.8 Ų64.833%0.33333%0.326SS..Hα-helixtrans-61.6-46.3175.7-69.9167.5000111L186 C187 F188 T193 F194 C195 P196L186-I190 VanDerWaalsContact O-CG1 3.3Å; L186-I190 WeakPolarHBondContact O-CG1 3.13Å; L186-I190 PolarHBondContact O-N 2.81Å; C187-I190 PolarHBondContact O-N 3.22Å; F188-I190 PolarHBondContact O-N 3.36Å; I190-T193 PolarHBondContact O-N 3.36Å; I190-F194 HydrophobicContact CG2-CD2 4.32Å; I190-F194 PolarHBondContact O-N 2.79Å; I190-C195 PolarHBondContact O-N 3.1Å; I190-P196 HydrophobicContact CG2-CG 3.75Å
191H91.3Very high93.4Very high13 Ų1365.2 Ų65.26%0.0633%0.329CS..Hα-helixtrans-61.8-44.6179.4178.666.2000111.6H39 C187 F188 T193 C195 A199H39-H191 AromaticContact CE1-NE2 3.77Å; C187-H191 VanDerWaalsContact O-CB 3.31Å; C187-H191 WeakPolarHBondContact O-CB 3.43Å; C187-H191 PolarHBondContact O-N 2.94Å; F188-H191 PolarHBondContact O-N 3.4Å; H191-T193 VanDerWaalsContact C-N 3.34Å; H191-T193 PolarHBondContact O-N 2.69Å; H191-C195 VanDerWaalsContact CE1-SG 3.53Å; H191-C195 WeakPolarHBondContact O-CA 3.32Å; H191-C195 WeakPolarHBondContact O-CB 3.4Å; H191-C195 PolarHBondContact O-N 3.43Å; H191-A199 HydrophobicContact CB-CB 4.37Å
192M90.5Very high93.3Very high103 Ų10367.8 Ų67.851%0.50735%0.345SS..Hα-helixtrans-71.5-26.9179.6-66.7-55.9-59.300113.5F188 W189F188-M192 HydrophobicContact CD1-CG 4.22Å; F188-M192 HydrophobicContact CD2-CG 4.22Å; F188-M192 HydrophobicContact CE1-CG 3.82Å; F188-M192 HydrophobicContact CE2-CG 3.81Å; F188-M192 HydrophobicContact CE2-SD 4.06Å; F188-M192 HydrophobicContact CG-CG 4.41Å; F188-M192 HydrophobicContact CZ-CG 3.59Å; F188-M192 HydrophobicContact CZ-SD 4.08Å; F188-M192 WeakPolarHBondContact O-CB 3.3Å; F188-M192 VanDerWaalsContact O-CG 3.29Å; F188-M192 WeakPolarHBondContact O-CG 3.29Å; F188-M192 PolarHBondContact O-N 2.89Å; W189-M192 PolarHBondContact O-N 3.25Å
193T94Very high93.2Very high75 Ų7564.1 Ų64.146%0.4633%0.325SS..Hα-helixtrans-92.1-45.9-176-53.20000112.7W189 I190 H191W189-T193 VanDerWaalsContact O-CB 3.26Å; W189-T193 WeakPolarHBondContact O-CB 3.45Å; W189-T193 PolarHBondContact O-N 2.77Å; W189-T193 PolarHBondContact O-OG1 3.33Å; I190-T193 PolarHBondContact O-N 3.36Å; H191-T193 VanDerWaalsContact C-N 3.34Å; H191-T193 PolarHBondContact O-N 2.69Å
194F92.7Very high93.1Very high137 Ų13761.6 Ų61.660%0.60131%0.31SS*.Hα-helixtrans-113.6-19.5-172.3-55.8-72.4000113.2W189 I190 P196W189-F194 HydrophobicContact CH2-CE2 4.09Å; W189-F194 HydrophobicContact CZ3-CE2 4.17Å; I190-F194 HydrophobicContact CG2-CD2 4.32Å; I190-F194 PolarHBondContact O-N 2.79Å; F194-P196 VanDerWaalsContact C-CD 3.48Å; F194-P196 VanDerWaalsContact C-N 3.33Å; F194-P196 HydrophobicContact CB-CG 4.35Å
195C90.1Very high93.1Very high22 Ų2263.3 Ų63.315%0.14933%0.325CS..  trans42.548.8-174.3-137.60000115C40 I190 H191C40-C195 HydrophobicContact CB-CB 3.65Å; C40-C195 WeakPolarHBondContact CB-SG 3.3Å; C40-C195 WeakPolarHBondContact SG-CB 3.37Å; C40-C195 CovalentContact SG-SG 2.03Å; C40-C195 PolarHBondContact SG-SG 2.93Å; I190-C195 PolarHBondContact O-N 3.1Å; H191-C195 VanDerWaalsContact CE1-SG 3.53Å; H191-C195 WeakPolarHBondContact O-CA 3.32Å; H191-C195 WeakPolarHBondContact O-CB 3.4Å; H191-C195 PolarHBondContact O-N 3.43Å
196P91.8Very high93.2Very high44 Ų4459 Ų5929%0.28630%0.304SS..  trans-69.9153.4-177.220.4-13.6000110.8I190 F194 Y198 A199I190-P196 HydrophobicContact CG2-CG 3.75Å; F194-P196 VanDerWaalsContact C-CD 3.48Å; F194-P196 VanDerWaalsContact C-N 3.33Å; F194-P196 HydrophobicContact CB-CG 4.35Å; P196-Y198 PolarHBondContact O-N 3.38Å; P196-A199 HydrophobicContact CG-CB 3.86Å; P196-A199 VanDerWaalsContact O-CB 3.29Å; P196-A199 WeakPolarHBondContact O-CB 3.14Å; P196-A199 PolarHBondContact O-N 2.91Å
197P88.4Confident93.2Very high79 Ų7954.6 Ų54.651%0.51328%0.281SS..THydrogen-bonded Turntrans-56.4141.8176.425.6-34.6000110.5A199P197-A199 PolarHBondContact O-N 3.28Å; P197-A199 VanDerWaalsContact O-N 3.1Å
198Y90.2Very high93.4Very high108 Ų10855.2 Ų55.242%0.42428%0.281SS..THydrogen-bonded Turntrans67.8-4.8-179.8-43.2-72000116.6T43 N44 F45 P196 Y200 T201 V202T43-Y198 VanDerWaalsContact O-CD1 3.22Å; T43-Y198 WeakPolarHBondContact O-CD1 3.29Å; T43-Y198 WeakPolarHBondContact O-CE1 3.46Å; N44-Y198 WeakPolarHBondContact OD1-CA 3.3Å; F45-Y198 AromaticContact CD2-CD1 3.95Å; F45-Y198 HydrophobicContact CD2-CD1 3.95Å; F45-Y198 HydrophobicContact CD2-CE1 4.04Å; F45-Y198 AromaticContact CE2-CD1 3.6Å; F45-Y198 HydrophobicContact CE2-CD1 3.6Å; F45-Y198 AromaticContact CE2-CE1 3.28Å; F45-Y198 HydrophobicContact CE2-CE1 3.28Å; F45-Y198 HydrophobicContact CZ-CD1 4.38Å; F45-Y198 AromaticContact CZ-CE1 3.65Å; F45-Y198 HydrophobicContact CZ-CE1 3.65Å; P196-Y198 PolarHBondContact O-N 3.38Å; Y198-Y200 PolarHBondContact O-N 3.07Å; Y198-T201 WeakPolarHBondContact O-CA 3.3Å; Y198-T201 VanDerWaalsContact O-CB 3.29Å; Y198-T201 WeakPolarHBondContact O-CB 3.22Å; Y198-T201 PolarHBondContact O-N 3.43Å; Y198-V202 PolarHBondContact O-N 3.41Å
199A91.2Very high93.6Very high13 Ų1352.4 Ų52.411%0.10727%0.274CS..Hα-helixtrans-55.8-39.917800000112.2H191 P196 P197 V202 F203H191-A199 HydrophobicContact CB-CB 4.37Å; P196-A199 HydrophobicContact CG-CB 3.86Å; P196-A199 VanDerWaalsContact O-CB 3.29Å; P196-A199 WeakPolarHBondContact O-CB 3.14Å; P196-A199 PolarHBondContact O-N 2.91Å; P197-A199 PolarHBondContact O-N 3.28Å; P197-A199 VanDerWaalsContact O-N 3.1Å; A199-V202 PolarHBondContact O-N 2.95Å; A199-F203 PolarHBondContact O-N 2.95Å
200Y89.3Confident93.8Very high34 Ų3445.7 Ų45.713%0.13325%0.25CS..Hα-helixtrans-69.1-33.2176.8-170.3-106.2000112.3T38 N44 S48 A51 Y198 F203 S204T38-Y200 HydrophobicContact CG2-CD1 3.53Å; T38-Y200 HydrophobicContact CG2-CD2 4.01Å; T38-Y200 HydrophobicContact CG2-CE1 3.95Å; T38-Y200 HydrophobicContact CG2-CE2 4.42Å; T38-Y200 HydrophobicContact CG2-CG 3.54Å; N44-Y200 HydrophobicContact CB-CD1 4.47Å; S48-Y200 WeakPolarHBondContact CB-OH 3.42Å; S48-Y200 PolarHBondContact N-OH 3Å; S48-Y200 PolarHBondContact OG-OH 3.04Å; A51-Y200 WeakPolarHBondContact CB-OH 3.24Å; Y198-Y200 PolarHBondContact O-N 3.07Å; Y200-F203 WeakPolarHBondContact O-CB 3.4Å; Y200-F203 PolarHBondContact O-N 2.96Å; Y200-S204 PolarHBondContact O-N 2.93Å; Y200-S204 PolarHBondContact O-OG 2.95Å
201T93.2Very high93.9Very high18 Ų1844 Ų4411%0.1124%0.242CC..Hα-helixtrans-63.2-43173.2-59.60000111.6N44 F45 L46 Y198 S204 A205N44-T201 VanDerWaalsContact CA-OG1 3.3Å; N44-T201 WeakPolarHBondContact CA-OG1 3.36Å; N44-T201 VanDerWaalsContact CB-OG1 3.3Å; N44-T201 WeakPolarHBondContact CB-OG1 3.45Å; N44-T201 PolarHBondContact OD1-N 3.27Å; N44-T201 PolarHBondContact OD1-OG1 3.43Å; F45-T201 HydrophobicContact CB-CG2 4.09Å; F45-T201 HydrophobicContact CD2-CG2 4.39Å; F45-T201 PolarHBondContact N-OG1 2.51Å; L46-T201 HydrophobicContact CB-CG2 3.99Å; L46-T201 HydrophobicContact CD1-CG2 4.07Å; L46-T201 HydrophobicContact CG-CG2 3.98Å; Y198-T201 WeakPolarHBondContact O-CA 3.3Å; Y198-T201 VanDerWaalsContact O-CB 3.29Å; Y198-T201 WeakPolarHBondContact O-CB 3.22Å; Y198-T201 PolarHBondContact O-N 3.43Å; T201-S204 PolarHBondContact O-N 3.41Å; T201-A205 PolarHBondContact O-N 3.46Å
202V94.7Very high94.2Very high76 Ų7647 Ų4746%0.46125%0.254SS..Hα-helixtrans-64.7-44.5176.4179.10000110.5Y198 A199 S204 A205 V206Y198-V202 PolarHBondContact O-N 3.41Å; A199-V202 PolarHBondContact O-N 2.95Å; V202-S204 PolarHBondContact O-N 2.88Å; V202-A205 PolarHBondContact O-N 3.45Å; V202-V206 WeakPolarHBondContact O-CG2 3.29Å; V202-V206 PolarHBondContact O-N 3.26Å; V202-V206 VanDerWaalsContact O-N 3.1Å
203F95.6Very high94.6Very high24 Ų2442.2 Ų42.211%0.10523%0.231CC..Hα-helixtrans-53.2-52.2173.7176.5-87.7000111.3L184 C187 F188 A199 Y200 A205 V206 E207L184-F203 HydrophobicContact CB-CE2 4.31Å; L184-F203 HydrophobicContact CD2-CD1 4.48Å; L184-F203 HydrophobicContact CD2-CD2 3.65Å; L184-F203 HydrophobicContact CD2-CE1 4.39Å; L184-F203 HydrophobicContact CD2-CE2 3.54Å; L184-F203 HydrophobicContact CD2-CG 4.13Å; L184-F203 HydrophobicContact CD2-CZ 3.94Å; L184-F203 WeakPolarHBondContact CD2-O 3.2Å; C187-F203 HydrophobicContact CB-CB 4.08Å; C187-F203 HydrophobicContact CB-CD2 4.05Å; F188-F203 HydrophobicContact CB-CD2 4.25Å; F188-F203 HydrophobicContact CB-CE2 3.97Å; F188-F203 HydrophobicContact CD2-CE2 4.48Å; A199-F203 PolarHBondContact O-N 2.95Å; Y200-F203 WeakPolarHBondContact O-CB 3.4Å; Y200-F203 PolarHBondContact O-N 2.96Å; F203-A205 PolarHBondContact O-N 2.99Å; F203-V206 PolarHBondContact O-N 3.04Å; F203-E207 WeakPolarHBondContact O-CB 2.98Å; F203-E207 PolarHBondContact O-N 3.21Å
204S95.2Very high94.8Very high0 Ų038.9 Ų38.90%021%0.211CC..Hα-helixtrans-59.4-42.7179.7-56.10000112.6L46 P47 S48 Y200 T201 V202 V206 E207 Y208L46-S204 PolarHBondContact O-OG 3.49Å; P47-S204 WeakPolarHBondContact O-CB 3.45Å; P47-S204 PolarHBondContact O-OG 2.93Å; S48-S204 WeakPolarHBondContact CA-OG 3.27Å; S48-S204 PolarHBondContact N-OG 3.35Å; Y200-S204 PolarHBondContact O-N 2.93Å; Y200-S204 PolarHBondContact O-OG 2.95Å; T201-S204 PolarHBondContact O-N 3.41Å; V202-S204 PolarHBondContact O-N 2.88Å; S204-V206 PolarHBondContact O-N 3.39Å; S204-E207 WeakPolarHBondContact O-CB 3.25Å; S204-E207 PolarHBondContact O-N 3.48Å; S204-Y208 WeakPolarHBondContact O-CD1 3.22Å; S204-Y208 PolarHBondContact O-N 2.86Å
205A96.8Very high95Very high45 Ų4533.6 Ų33.637%0.37219%0.188SC..Hα-helixtrans-63-41.6178.700000112.4L46 T201 V202 F203 Y208 A209L46-A205 HydrophobicContact CD1-CB 4.11Å; T201-A205 PolarHBondContact O-N 3.46Å; V202-A205 PolarHBondContact O-N 3.45Å; F203-A205 PolarHBondContact O-N 2.99Å; A205-Y208 PolarHBondContact O-N 3.29Å; A205-A209 PolarHBondContact O-N 2.96Å; A205-A209 VanDerWaalsContact O-N 3.13Å
206V97.7Very high95.4Very high25 Ų2535.8 Ų35.815%0.15220%0.198CC..Hα-helixtrans-70.3-35.6176.9-177.60000110.8C180 V183 L184 V202 F203 S204 A209 A210C180-V206 HydrophobicContact CB-CG1 3.95Å; C180-V206 WeakPolarHBondContact O-CG1 3.35Å; V183-V206 HydrophobicContact CB-CG1 4.09Å; V183-V206 HydrophobicContact CG1-CB 4.47Å; V183-V206 HydrophobicContact CG1-CG1 4.01Å; V183-V206 HydrophobicContact CG1-CG2 3.84Å; L184-V206 HydrophobicContact CD1-CG1 4.46Å; L184-V206 HydrophobicContact CD2-CB 4.1Å; L184-V206 HydrophobicContact CD2-CG1 4.18Å; L184-V206 HydrophobicContact CG-CB 4.27Å; L184-V206 HydrophobicContact CG-CG1 3.79Å; V202-V206 WeakPolarHBondContact O-CG2 3.29Å; V202-V206 PolarHBondContact O-N 3.26Å; V202-V206 VanDerWaalsContact O-N 3.1Å; F203-V206 PolarHBondContact O-N 3.04Å; S204-V206 PolarHBondContact O-N 3.39Å; V206-A209 PolarHBondContact O-N 3.31Å; V206-A210 PolarHBondContact O-N 3.05Å
207E97.7Very high95.7Very high11 Ų1133.7 Ų33.75%0.05118%0.184CC..Hα-helixtrans-60.4-47.2175.4-176.3-175.4-13000110.4S48 L49 L184 F203 S204 A209 A210 I211S48-E207 WeakPolarHBondContact CA-OE2 3.44Å; S48-E207 VanDerWaalsContact CB-OE2 3.32Å; S48-E207 WeakPolarHBondContact CB-OE2 3.39Å; L49-E207 PolarHBondContact N-OE2 3.45Å; L184-E207 HydrophobicContact CD2-CB 3.89Å; F203-E207 WeakPolarHBondContact O-CB 2.98Å; F203-E207 PolarHBondContact O-N 3.21Å; S204-E207 WeakPolarHBondContact O-CB 3.25Å; S204-E207 PolarHBondContact O-N 3.48Å; E207-A209 VanDerWaalsContact C-N 3.33Å; E207-A209 PolarHBondContact O-N 3.48Å; E207-A210 WeakPolarHBondContact O-CB 3.44Å; E207-A210 PolarHBondContact O-N 3.44Å; E207-I211 HydrophobicContact CG-CD1 4.07Å; E207-I211 WeakPolarHBondContact O-CG1 3.34Å; E207-I211 PolarHBondContact O-N 3.33Å
208Y97.8Very high96Very high30 Ų3030.9 Ų30.912%0.11816%0.164CC..Hα-helixtrans-59.6-45.7176.1-57.7-11.7000111.2L22 V26 L46 P47 S204 A205 A210 I211 F212L22-Y208 HydrophobicContact CD1-CD1 3.98Å; L22-Y208 HydrophobicContact CD1-CE1 4.06Å; L22-Y208 HydrophobicContact CD2-CD1 4.27Å; L22-Y208 HydrophobicContact CD2-CG 4.32Å; V26-Y208 HydrophobicContact CG2-CE1 4.17Å; V26-Y208 HydrophobicContact CG2-CE2 4.33Å; V26-Y208 VanDerWaalsContact CG2-OH 3.24Å; V26-Y208 WeakPolarHBondContact CG2-OH 3.27Å; L46-Y208 HydrophobicContact CD1-CE2 4.46Å; L46-Y208 HydrophobicContact CD2-CE2 4.44Å; P47-Y208 PolarHBondContact O-OH 3.34Å; S204-Y208 WeakPolarHBondContact O-CD1 3.22Å; S204-Y208 PolarHBondContact O-N 2.86Å; A205-Y208 PolarHBondContact O-N 3.29Å; Y208-A210 VanDerWaalsContact C-N 3.31Å; Y208-A210 PolarHBondContact O-N 3.13Å; Y208-I211 PolarHBondContact O-N 3.46Å; Y208-I211 VanDerWaalsContact O-N 3.17Å; Y208-F212 VanDerWaalsContact O-CD2 3.22Å; Y208-F212 WeakPolarHBondContact O-CD2 3.46Å; Y208-F212 PolarHBondContact O-N 2.98Å
209A98.2Very high96.3Very high32 Ų3228.3 Ų28.326%0.26415%0.154SC..Hα-helixtrans-59.1-41.4177.500000112.2F176 A205 V206 E207 F212 A213F176-A209 HydrophobicContact CE1-CB 4.37Å; F176-A209 HydrophobicContact CZ-CB 4.17Å; A205-A209 PolarHBondContact O-N 2.96Å; A205-A209 VanDerWaalsContact O-N 3.13Å; V206-A209 PolarHBondContact O-N 3.31Å; E207-A209 VanDerWaalsContact C-N 3.33Å; E207-A209 PolarHBondContact O-N 3.48Å; A209-F212 PolarHBondContact O-N 2.95Å; A209-A213 WeakPolarHBondContact O-CB 3.29Å; A209-A213 PolarHBondContact O-N 3.03Å
210A98.3Very high96.5Very high6 Ų627.7 Ų27.75%0.0515%0.149CC..Hα-helixtrans-63.8-42.1175.200000112.2Y177 C180 L184 V206 E207 Y208 A213 N214Y177-A210 HydrophobicContact CD2-CB 4.21Å; Y177-A210 WeakPolarHBondContact CD2-O 3.28Å; Y177-A210 HydrophobicContact CE2-CB 4.1Å; Y177-A210 WeakPolarHBondContact CE2-O 3.45Å; C180-A210 HydrophobicContact CB-CB 3.83Å; L184-A210 HydrophobicContact CD1-CB 4.17Å; V206-A210 PolarHBondContact O-N 3.05Å; E207-A210 WeakPolarHBondContact O-CB 3.44Å; E207-A210 PolarHBondContact O-N 3.44Å; Y208-A210 VanDerWaalsContact C-N 3.31Å; Y208-A210 PolarHBondContact O-N 3.13Å; A210-A213 PolarHBondContact O-N 2.9Å; A210-N214 PolarHBondContact O-N 3.37Å
211I97.9Very high96.7Very high30 Ų3026.3 Ų26.315%0.15414%0.144CC..Hα-helixtrans-61-50.3176.2-68161.9000110.4L22 L49 E207 Y208 A213 N214 I215L22-I211 HydrophobicContact CD1-CD1 4.48Å; L22-I211 HydrophobicContact CD2-CD1 4.45Å; L22-I211 HydrophobicContact CD2-CG2 4.32Å; L49-I211 HydrophobicContact CB-CD1 4.26Å; L49-I211 HydrophobicContact CD2-CD1 3.64Å; E207-I211 HydrophobicContact CG-CD1 4.07Å; E207-I211 WeakPolarHBondContact O-CG1 3.34Å; E207-I211 PolarHBondContact O-N 3.33Å; Y208-I211 PolarHBondContact O-N 3.46Å; Y208-I211 VanDerWaalsContact O-N 3.17Å; I211-A213 VanDerWaalsContact C-N 3.31Å; I211-A213 PolarHBondContact O-N 2.03Å; I211-N214 PolarHBondContact O-N 3.45Å; I211-I215 HydrophobicContact CG2-CD1 3.87Å; I211-I215 WeakPolarHBondContact O-CG1 3.29Å; I211-I215 PolarHBondContact O-N 3.47Å
212F97.8Very high96.7Very high74 Ų7425.5 Ų25.533%0.32514%0.139SC..Hα-helixtrans-60.3-41.1177-82.8-75000111.9A19 L22 I23 Y208 A209 N214 I215 I216A19-F212 HydrophobicContact CB-CD1 4.28Å; A19-F212 HydrophobicContact CB-CE1 3.57Å; A19-F212 HydrophobicContact CB-CZ 4.2Å; L22-F212 HydrophobicContact CD2-CD2 4.36Å; L22-F212 HydrophobicContact CD2-CE2 3.77Å; L22-F212 HydrophobicContact CD2-CZ 4.36Å; I23-F212 HydrophobicContact CD1-CZ 4.43Å; Y208-F212 VanDerWaalsContact O-CD2 3.22Å; Y208-F212 WeakPolarHBondContact O-CD2 3.46Å; Y208-F212 PolarHBondContact O-N 2.98Å; A209-F212 PolarHBondContact O-N 2.95Å; F212-N214 PolarHBondContact O-N 3.5Å; F212-I215 PolarHBondContact O-N 3.29Å; F212-I216 WeakPolarHBondContact O-CB 3.1Å; F212-I216 WeakPolarHBondContact O-CD1 3.4Å; F212-I216 WeakPolarHBondContact O-CG1 3.03Å; F212-I216 PolarHBondContact O-N 2.98Å
213A98.1Very high96.6Very high3 Ų323.1 Ų23.13%0.02512%0.124CC..Hα-helixtrans-61.1-43.517600000112.3F176 Y177 A209 A210 I211 I216 Y217F176-A213 HydrophobicContact CD1-CB 3.67Å; F176-A213 HydrophobicContact CE1-CB 3.93Å; Y177-A213 HydrophobicContact CD2-CB 4.2Å; A209-A213 WeakPolarHBondContact O-CB 3.29Å; A209-A213 PolarHBondContact O-N 3.03Å; A210-A213 PolarHBondContact O-N 2.9Å; I211-A213 VanDerWaalsContact C-N 3.31Å; I211-A213 PolarHBondContact O-N 2.03Å; A213-I216 PolarHBondContact O-N 2.95Å; A213-Y217 VanDerWaalsContact O-CB 3.32Å; A213-Y217 WeakPolarHBondContact O-CB 3.14Å; A213-Y217 PolarHBondContact O-N 2.88Å
214N97.9Very high96.4Very high6 Ų622.1 Ų22.13%0.03212%0.12CC..Hα-helixtrans-60.9-47.6175.2-177.9-80.8000111.3E110 S140 M144 Y177 A210 I211 F212 I216 Y217 H218E110-N214 PolarHBondContact OE1-ND2 3.46Å; S140-N214 PolarHBondContact OG-ND2 3.33Å; M144-N214 HydrophobicContact CE-CB 4.49Å; Y177-N214 HydrophobicContact CD2-CB 4.38Å; Y177-N214 HydrophobicContact CE2-CB 4.01Å; A210-N214 PolarHBondContact O-N 3.37Å; I211-N214 PolarHBondContact O-N 3.45Å; F212-N214 PolarHBondContact O-N 3.5Å; N214-I216 PolarHBondContact O-N 2.8Å; N214-Y217 WeakPolarHBondContact O-CB 2.85Å; N214-Y217 PolarHBondContact O-N 2.88Å; N214-H218 PolarHBondContact O-CD2 3.09Å; N214-H218 VanDerWaalsContact O-CD2 3.25Å; N214-H218 PolarHBondContact O-N 3.3Å; N214-H218 PolarHBondContact OD1-CD2 3.14Å
215I97.5Very high96.3Very high25 Ų2522.1 Ų22.113%0.12812%0.12CC..Hα-helixtrans-58.5-49.4177.3-67.4167.6000111S15 P18 A19 I211 F212 Y217 H218 Y219S15-I215 WeakPolarHBondContact O-CG2 3.43Å; P18-I215 HydrophobicContact CB-CD1 3.94Å; A19-I215 HydrophobicContact CB-CD1 4.11Å; I211-I215 HydrophobicContact CG2-CD1 3.87Å; I211-I215 WeakPolarHBondContact O-CG1 3.29Å; I211-I215 PolarHBondContact O-N 3.47Å; F212-I215 PolarHBondContact O-N 3.29Å; I215-Y217 VanDerWaalsContact C-N 3.28Å; I215-Y217 PolarHBondContact O-N 3.09Å; I215-H218 PolarHBondContact O-N 3.47Å; I215-Y219 WeakPolarHBondContact O-CB 3.33Å; I215-Y219 PolarHBondContact O-N 3.31Å
216I97.5Very high96Very high68 Ų6821.8 Ų21.835%0.34911%0.111SC..Hα-helixtrans-65.5-34.3-178.7-64.8164.6000110.9L173 F212 A213 N214 T220L173-I216 HydrophobicContact CD1-CG2 3.8Å; L173-I216 HydrophobicContact CD2-CB 4.23Å; L173-I216 HydrophobicContact CD2-CG2 3.78Å; L173-I216 HydrophobicContact CG-CG2 4.47Å; F212-I216 WeakPolarHBondContact O-CB 3.1Å; F212-I216 WeakPolarHBondContact O-CD1 3.4Å; F212-I216 WeakPolarHBondContact O-CG1 3.03Å; F212-I216 PolarHBondContact O-N 2.98Å; A213-I216 PolarHBondContact O-N 2.95Å; N214-I216 PolarHBondContact O-N 2.8Å; I216-T220 WeakPolarHBondContact O-CB 3.49Å; I216-T220 PolarHBondContact O-N 3.19Å; I216-T220 PolarHBondContact O-OG1 3.07Å
217Y97.7Very high95.7Very high0 Ų024.4 Ų24.40%012%0.124CC..Hα-helixtrans-62.5-52.8175.1-172-79.3000111.2Y143 M144 D147 K170 L173 M174 A213 N214 I215 Y219 T220 T221Y143-Y217 HydrophobicContact CD1-CE1 4.37Å; Y143-Y217 HydrophobicContact CE1-CD1 4.22Å; Y143-Y217 AromaticContact CE1-CE1 3.81Å; Y143-Y217 HydrophobicContact CE1-CE1 3.81Å; M144-Y217 WeakPolarHBondContact CA-OH 3.22Å; M144-Y217 HydrophobicContact CB-CE1 4.2Å; M144-Y217 HydrophobicContact CB-CE2 3.97Å; M144-Y217 HydrophobicContact CE-CD1 4.14Å; M144-Y217 HydrophobicContact CE-CD2 4.23Å; M144-Y217 HydrophobicContact CE-CG 3.83Å; M144-Y217 HydrophobicContact CG-CD1 3.84Å; M144-Y217 HydrophobicContact CG-CD2 3.97Å; M144-Y217 HydrophobicContact CG-CE1 3.63Å; M144-Y217 HydrophobicContact CG-CE2 3.75Å; M144-Y217 HydrophobicContact CG-CG 4.03Å; M144-Y217 PolarHBondContact O-OH 2.86Å; M144-Y217 HydrophobicContact SD-CD1 4.48Å; M144-Y217 HydrophobicContact SD-CD2 3.94Å; M144-Y217 HydrophobicContact SD-CE2 4.18Å; M144-Y217 HydrophobicContact SD-CG 4.11Å; D147-Y217 WeakPolarHBondContact OD2-CE1 3.42Å; D147-Y217 PolarHBondContact OD2-OH 3.13Å; K170-Y217 HydrophobicContact CB-CE2 3.79Å; K170-Y217 VanDerWaalsContact CE-CZ 3.49Å; K170-Y217 WeakPolarHBondContact CE-OH 3.38Å; K170-Y217 HydrophobicContact CG-CE2 4.15Å; K170-Y217 WeakPolarHBondContact O-CE2 3.33Å; L173-Y217 HydrophobicContact CB-CD2 3.91Å; M174-Y217 HydrophobicContact CB-CE2 4.19Å; A213-Y217 VanDerWaalsContact O-CB 3.32Å; A213-Y217 WeakPolarHBondContact O-CB 3.14Å; A213-Y217 PolarHBondContact O-N 2.88Å; N214-Y217 WeakPolarHBondContact O-CB 2.85Å; N214-Y217 PolarHBondContact O-N 2.88Å; I215-Y217 VanDerWaalsContact C-N 3.28Å; I215-Y217 PolarHBondContact O-N 3.09Å; Y217-Y219 PolarHBondContact O-N 2.86Å; Y217-T220 WeakPolarHBondContact O-CA 3.37Å; Y217-T220 WeakPolarHBondContact O-CB 3.32Å; Y217-T220 PolarHBondContact O-N 3.33Å; Y217-T221 PolarHBondContact O-N 3.22Å
218H95.9Very high95.4Very high20 Ų2024.3 Ų24.39%0.09312%0.124CC..Hα-helixtrans-63.1-39.6178.4-77.7-71.2000112.4R74 E110 Y143 N214 I215 T220 T221 S222R74-H218 PolarHBondContact NH2-CE1 3.42Å; R74-H218 PolarHBondContact NH2-NE2 2.98Å; E110-H218 IonicContact OE1-CD2 3.97Å; E110-H218 IonicContact OE1-CE1 2.98Å; E110-H218 IonicContact OE1-NE2 2.58Å; E110-H218 PolarHBondContact OE1-NE2 2.99Å; E110-H218 IonicContact OE2-CE1 3.22Å; E110-H218 PolarHBondContact OE2-CE1 2.9Å; E110-H218 VanDerWaalsContact OE2-CE1 3.24Å; E110-H218 IonicContact OE2-NE2 2.92Å; E110-H218 PolarHBondContact OE2-NE2 3.37Å; Y143-H218 AromaticContact CD1-CE1 3.63Å; Y143-H218 AromaticContact CE1-CE1 3.19Å; Y143-H218 WeakPolarHBondContact CE1-CE1 3.42Å; Y143-H218 AromaticContact CE1-ND1 3.68Å; N214-H218 PolarHBondContact O-CD2 3.09Å; N214-H218 VanDerWaalsContact O-CD2 3.25Å; N214-H218 PolarHBondContact O-N 3.3Å; N214-H218 PolarHBondContact OD1-CD2 3.14Å; I215-H218 PolarHBondContact O-N 3.47Å; H218-T220 VanDerWaalsContact C-N 3.29Å; H218-T220 PolarHBondContact O-N 3.37Å; H218-T221 WeakPolarHBondContact O-CB 3.42Å; H218-T221 PolarHBondContact O-N 3.4Å; H218-T221 VanDerWaalsContact O-N 3.16Å; H218-S222 PolarHBondContact O-N 2.97Å
219Y95.4Very high95.2Very high55 Ų5525.7 Ų25.722%0.21614%0.138CC..Hα-helixtrans-59.8-40.8170.7173.3-110.8000111.7R8 C11 I12 I215 Y217 T221 S222R8-Y219 WeakPolarHBondContact CD-OH 3.4Å; C11-Y219 HydrophobicContact CB-CD2 4.28Å; C11-Y219 HydrophobicContact CB-CE2 4.24Å; I12-Y219 HydrophobicContact CB-CE2 4.48Å; I12-Y219 HydrophobicContact CG1-CD2 4.46Å; I12-Y219 HydrophobicContact CG1-CE2 3.47Å; I12-Y219 VanDerWaalsContact CG1-CE2 3.47Å; I12-Y219 WeakPolarHBondContact CG1-OH 3.33Å; I215-Y219 WeakPolarHBondContact O-CB 3.33Å; I215-Y219 PolarHBondContact O-N 3.31Å; Y217-Y219 PolarHBondContact O-N 2.86Å; Y219-T221 VanDerWaalsContact C-N 3.28Å; Y219-T221 PolarHBondContact O-N 2.96Å; Y219-S222 WeakPolarHBondContact O-CB 3.44Å; Y219-S222 PolarHBondContact O-N 2.86Å; Y219-S222 PolarHBondContact O-OG 3.5Å
220T95.8Very high94.8Very high0 Ų027 Ų270%014%0.139CC..Hα-helixtrans-64.5-32.3177.2-59.90000111.9I166 K169 K170 I216 Y217 H218 S222 N223I166-T220 HydrophobicContact CG2-CG2 4.1Å; K169-T220 HydrophobicContact CD-CG2 3.95Å; K169-T220 WeakPolarHBondContact CE-OG1 3.48Å; K169-T220 HydrophobicContact CG-CG2 4.31Å; K169-T220 PolarHBondContact NZ-OG1 3.45Å; K170-T220 HydrophobicContact CD-CG2 4.23Å; K170-T220 HydrophobicContact CG-CG2 3.7Å; I216-T220 WeakPolarHBondContact O-CB 3.49Å; I216-T220 PolarHBondContact O-N 3.19Å; I216-T220 PolarHBondContact O-OG1 3.07Å; Y217-T220 WeakPolarHBondContact O-CA 3.37Å; Y217-T220 WeakPolarHBondContact O-CB 3.32Å; Y217-T220 PolarHBondContact O-N 3.33Å; H218-T220 VanDerWaalsContact C-N 3.29Å; H218-T220 PolarHBondContact O-N 3.37Å; T220-S222 VanDerWaalsContact C-N 3.32Å; T220-S222 PolarHBondContact O-N 3.29Å; T220-N223 VanDerWaalsContact O-CB 3.31Å; T220-N223 WeakPolarHBondContact O-CB 3.43Å; T220-N223 PolarHBondContact O-N 3.49Å; T220-N223 VanDerWaalsContact O-N 3.1Å
221T93.8Very high94.4Very high4 Ų436.5 Ų36.53%0.02517%0.174CC..Hα-helixtrans-62.1-38.1170.3-64.50000112K170 Y217 H218 Y219 N223 T224K170-T221 PolarHBondContact NZ-OG1 3.03Å; Y217-T221 PolarHBondContact O-N 3.22Å; H218-T221 WeakPolarHBondContact O-CB 3.42Å; H218-T221 PolarHBondContact O-N 3.4Å; H218-T221 VanDerWaalsContact O-N 3.16Å; Y219-T221 VanDerWaalsContact C-N 3.28Å; Y219-T221 PolarHBondContact O-N 2.96Å; T221-N223 PolarHBondContact O-N 3.41Å; T221-N223 VanDerWaalsContact O-N 3.08Å; T221-T224 PolarHBondContact O-N 3.31Å; T221-T224 VanDerWaalsContact O-N 3.12Å; T221-T224 PolarHBondContact O-OG1 3.49Å
222S93.1Very high94.1Very high1 Ų138.4 Ų38.41%0.00718%0.181CC..Hα-helixtrans-60.7-21.9174.781.70000113.2R8 C11 H218 Y219 T220 T224 F225R8-S222 PolarHBondContact NH1-O 3.06Å; R8-S222 PolarHBondContact NH1-OG 3.14Å; R8-S222 PolarHBondContact NH2-O 2.98Å; C11-S222 VanDerWaalsContact SG-CB 3.55Å; H218-S222 PolarHBondContact O-N 2.97Å; Y219-S222 WeakPolarHBondContact O-CB 3.44Å; Y219-S222 PolarHBondContact O-N 2.86Å; Y219-S222 PolarHBondContact O-OG 3.5Å; T220-S222 VanDerWaalsContact C-N 3.32Å; T220-S222 PolarHBondContact O-N 3.29Å; S222-T224 PolarHBondContact O-N 2.95Å; S222-F225 PolarHBondContact O-N 2.93Å
223N92.3Very high93.7Very high26 Ų2635.1 Ų35.114%0.13917%0.166CC..THydrogen-bonded Turntrans-72.3-10.8179.3-61.8-27.3000113.6R8 F162 I166 T220 T221 F225R8-N223 PolarHBondContact NE-OD1 3.35Å; R8-N223 VanDerWaalsContact NH1-CA 3.33Å; R8-N223 PolarHBondContact NH1-OD1 3.47Å; F162-N223 WeakPolarHBondContact CZ-O 3.22Å; I166-N223 HydrophobicContact CD1-CB 4.05Å; T220-N223 VanDerWaalsContact O-CB 3.31Å; T220-N223 WeakPolarHBondContact O-CB 3.43Å; T220-N223 PolarHBondContact O-N 3.49Å; T220-N223 VanDerWaalsContact O-N 3.1Å; T221-N223 PolarHBondContact O-N 3.41Å; T221-N223 VanDerWaalsContact O-N 3.08Å; N223-F225 VanDerWaalsContact C-N 3.28Å
224T91.9Very high93.3Very high4 Ų439.4 Ų39.43%0.02519%0.188CC..THydrogen-bonded Turntrans-78.8-11.9176.363.20000113.4L163 I166 T221 S222 F245 V246L163-T224 HydrophobicContact CD1-CG2 4.4Å; I166-T224 HydrophobicContact CD1-CG2 4.15Å; I166-T224 HydrophobicContact CG2-CG2 4.11Å; T221-T224 PolarHBondContact O-N 3.31Å; T221-T224 VanDerWaalsContact O-N 3.12Å; T221-T224 PolarHBondContact O-OG1 3.49Å; S222-T224 PolarHBondContact O-N 2.95Å; T224-F245 CarbonylContact O-C 3.6Å; T224-F245 VanDerWaalsContact O-CA 3.23Å; T224-F245 WeakPolarHBondContact O-CA 3.46Å; T224-V246 PolarHBondContact O-N 3.47Å
225F92.3Very high93Very high0 Ų042.6 Ų42.60%021%0.208CC..BIsolated β-bridgetrans-97.4149.5-179.7-57.4-81.6000112F7 I77 N80 S222 N223 D227 I243 P244 F245 V246F7-F225 HydrophobicContact CD1-CB 4.48Å; F7-F225 HydrophobicContact CE1-CB 3.84Å; F7-F225 HydrophobicContact CE1-CD2 4.31Å; F7-F225 HydrophobicContact CE1-CG 4.39Å; F7-F225 HydrophobicContact CZ-CB 4.43Å; F7-F225 HydrophobicContact CZ-CD2 4.36Å; I77-F225 HydrophobicContact CG2-CD2 4.49Å; I77-F225 HydrophobicContact CG2-CE2 3.64Å; I77-F225 HydrophobicContact CG2-CZ 4.2Å; N80-F225 HydrophobicContact CB-CE1 4.44Å; N80-F225 WeakPolarHBondContact ND2-CD1 3.42Å; N80-F225 WeakPolarHBondContact ND2-CE1 3.44Å; S222-F225 PolarHBondContact O-N 2.93Å; N223-F225 VanDerWaalsContact C-N 3.28Å; F225-D227 PolarHBondContact O-N 3.06Å; F225-I243 HydrophobicContact CB-CG2 4.08Å; F225-I243 WeakPolarHBondContact CD1-O 3.32Å; F225-P244 WeakPolarHBondContact CA-O 3.32Å; F225-F245 AromaticContact CD1-CD1 3.7Å; F225-F245 HydrophobicContact CD1-CD1 3.7Å; F225-F245 AromaticContact CD1-CE1 3.86Å; F225-F245 HydrophobicContact CD1-CE1 3.86Å; F225-F245 AromaticContact CE1-CD1 3.59Å; F225-F245 HydrophobicContact CE1-CD1 3.59Å; F225-F245 AromaticContact CE1-CE1 3.22Å; F225-F245 HydrophobicContact CE1-CE1 3.22Å; F225-F245 HydrophobicContact CE1-CZ 4.19Å; F225-F245 HydrophobicContact CE2-CE1 4.41Å; F225-F245 HydrophobicContact CG-CD1 4.42Å; F225-F245 HydrophobicContact CZ-CD1 4.21Å; F225-F245 AromaticContact CZ-CE1 3.57Å; F225-F245 HydrophobicContact CZ-CE1 3.57Å; F225-V246 WeakPolarHBondContact O-CG2 3.49Å
226E91.1Very high92.7Very high38 Ų3843.4 Ų43.418%0.17821%0.209CC..  trans-57.4135.7172.4-73.2-170.8175.700111I228 I243 P244E226-I228 HydrophobicContact CB-CG2 4.25Å; E226-I228 PolarHBondContact O-N 2.84Å; E226-I243 WeakPolarHBondContact O-CG2 3.14Å; E226-P244 HydrophobicContact CB-CG 4.27Å; E226-P244 HydrophobicContact CG-CG 3.95Å; E226-P244 PolarHBondContact N-O 3.1Å; E226-P244 WeakPolarHBondContact OE2-CG 3Å
227D91.6Very high92.2Very high80 Ų8043.6 Ų43.643%0.42821%0.208SC..  trans-80.5100.8174.2-164.824.6000110T6 F7 R8 F225T6-D227 WeakPolarHBondContact CB-OD1 3.3Å; T6-D227 VanDerWaalsContact CB-OD2 3.31Å; T6-D227 WeakPolarHBondContact CB-OD2 3.21Å; T6-D227 VanDerWaalsContact OG1-CG 3.23Å; T6-D227 PolarHBondContact OG1-OD1 3Å; T6-D227 PolarHBondContact OG1-OD2 3.34Å; F7-D227 PolarHBondContact N-OD1 3.41Å; F7-D227 VanDerWaalsContact N-OD1 3.12Å; R8-D227 WeakPolarHBondContact CB-OD1 3.33Å; R8-D227 WeakPolarHBondContact CB-OD2 3.27Å; R8-D227 PolarHBondContact N-OD1 3.06Å; F225-D227 PolarHBondContact O-N 3.06Å
228I91.9Very high91.7Very high8 Ų848.6 Ų48.64%0.04124%0.242CC..  trans-103.6157.1-179.260.8170.9000111.2T6 F7 E226 K232 M233 Y236 I243T6-I228 CarbonylContact C-O 3.38Å; T6-I228 WeakPolarHBondContact CA-O 3.41Å; F7-I228 HydrophobicContact CB-CG1 4.17Å; F7-I228 PolarHBondContact N-O 3.26Å; E226-I228 HydrophobicContact CB-CG2 4.25Å; E226-I228 PolarHBondContact O-N 2.84Å; I228-K232 HydrophobicContact CB-CB 4.39Å; I228-K232 HydrophobicContact CB-CD 4.14Å; I228-K232 HydrophobicContact CB-CG 4.45Å; I228-K232 HydrophobicContact CD1-CB 4.41Å; I228-K232 HydrophobicContact CD1-CG 4.28Å; I228-K232 HydrophobicContact CG2-CD 4.11Å; I228-M233 HydrophobicContact CD1-CB 3.83Å; I228-M233 HydrophobicContact CD1-CG 4.42Å; I228-M233 HydrophobicContact CG1-CB 4.18Å; I228-Y236 HydrophobicContact CD1-CD2 4.05Å; I228-Y236 HydrophobicContact CD1-CE2 4.38Å; I228-I243 HydrophobicContact CD1-CB 4.39Å; I228-I243 HydrophobicContact CD1-CD1 3.94Å; I228-I243 HydrophobicContact CD1-CG1 3.75Å; I228-I243 HydrophobicContact CD1-CG2 3.97Å; I228-I243 HydrophobicContact CG1-CD1 4.4Å; I228-I243 HydrophobicContact CG1-CG2 4.22Å; I228-I243 HydrophobicContact CG2-CG2 4.49Å
229S93.1Very high91.5Very high60 Ų6051.4 Ų51.442%0.4226%0.26SS..BIsolated β-bridgetrans-63.6151173.666.70000111.5R231 K232 M233S229-R231 PolarHBondContact O-N 3.27Å; S229-K232 PolarHBondContact O-N 3.28Å; S229-K232 PolarHBondContact OG-N 3.26Å; S229-M233 PolarHBondContact O-N 3.1Å
230M88.9Confident91.1Very high58 Ų5851.9 Ų51.929%0.28628%0.282SS..Hα-helixtrans-52.4-42.4176.4-77.2-59.1-69.700113.3G5 V10 K232 M233 I234G5-M230 VanDerWaalsContact O-CG 3.28Å; G5-M230 WeakPolarHBondContact O-CG 3.4Å; G5-M230 PolarHBondContact O-N 3.44Å; V10-M230 HydrophobicContact CB-SD 4.44Å; V10-M230 HydrophobicContact CG2-CE 3.64Å; V10-M230 HydrophobicContact CG2-SD 3.19Å; V10-M230 WeakPolarHBondContact CG2-SD 3.5Å; M230-K232 VanDerWaalsContact C-N 3.34Å; M230-K232 PolarHBondContact O-N 3.11Å; M230-M233 HydrophobicContact CE-CE 4.3Å; M230-M233 WeakPolarHBondContact O-CB 3.31Å; M230-M233 PolarHBondContact O-N 3.38Å; M230-M233 HydrophobicContact SD-CE 3.27Å; M230-M233 WeakPolarHBondContact SD-CE 3.29Å; M230-M233 HydrophobicContact SD-SD 4.26Å; M230-I234 VanDerWaalsContact O-CG1 3.32Å; M230-I234 WeakPolarHBondContact O-CG1 3.28Å; M230-I234 PolarHBondContact O-N 2.8Å
231R90.8Very high90.8Very high207 Ų20759.7 Ų59.778%0.78131%0.312SS*.Hα-helixtrans-56.5-48.7176.6-179.5-175.7-71.3-96.22111.1S229 M233 I234 T235S229-R231 PolarHBondContact O-N 3.27Å; R231-M233 VanDerWaalsContact C-N 3.35Å; R231-I234 PolarHBondContact O-N 2.93Å; R231-T235 PolarHBondContact O-N 2.91Å; R231-T235 PolarHBondContact O-OG1 2.99Å
232K91.5Very high90.6Very high69 Ų6960.4 Ų60.430%0.332%0.316SS..Hα-helixtrans-66.6-38-178.7-171.3174.5175.5-170.20111.7I228 S229 M230 T235 Y236I228-K232 HydrophobicContact CB-CB 4.39Å; I228-K232 HydrophobicContact CB-CD 4.14Å; I228-K232 HydrophobicContact CB-CG 4.45Å; I228-K232 HydrophobicContact CD1-CB 4.41Å; I228-K232 HydrophobicContact CD1-CG 4.28Å; I228-K232 HydrophobicContact CG2-CD 4.11Å; S229-K232 PolarHBondContact O-N 3.28Å; S229-K232 PolarHBondContact OG-N 3.26Å; M230-K232 VanDerWaalsContact C-N 3.34Å; M230-K232 PolarHBondContact O-N 3.11Å; K232-T235 PolarHBondContact O-N 3.34Å; K232-Y236 WeakPolarHBondContact CE-OH 3.4Å; K232-Y236 HydrophobicContact CG-CD1 4.21Å; K232-Y236 HydrophobicContact CG-CE1 3.88Å; K232-Y236 WeakPolarHBondContact O-CB 3.31Å; K232-Y236 WeakPolarHBondContact O-CD1 3.34Å; K232-Y236 PolarHBondContact O-N 2.84Å
233M90.1Very high90.5Very high5 Ų560.4 Ų60.43%0.02532%0.316CS..Hα-helixtrans-60.8-49.2174.8-172.6-156.9-46.300112F7 V10 W73 I228 S229 M230 R231 T235 Y236 F237 I243F7-M233 HydrophobicContact CB-CE 3.66Å; F7-M233 HydrophobicContact CD2-CE 3.67Å; F7-M233 HydrophobicContact CD2-CG 4.48Å; F7-M233 HydrophobicContact CD2-SD 4.07Å; F7-M233 HydrophobicContact CG-CE 4.15Å; V10-M233 HydrophobicContact CG2-CE 4.46Å; W73-M233 HydrophobicContact CH2-CE 4.37Å; W73-M233 HydrophobicContact CH2-SD 3.75Å; W73-M233 HydrophobicContact CZ3-SD 4.29Å; I228-M233 HydrophobicContact CD1-CB 3.83Å; I228-M233 HydrophobicContact CD1-CG 4.42Å; I228-M233 HydrophobicContact CG1-CB 4.18Å; S229-M233 PolarHBondContact O-N 3.1Å; M230-M233 HydrophobicContact CE-CE 4.3Å; M230-M233 WeakPolarHBondContact O-CB 3.31Å; M230-M233 PolarHBondContact O-N 3.38Å; M230-M233 HydrophobicContact SD-CE 3.27Å; M230-M233 WeakPolarHBondContact SD-CE 3.29Å; M230-M233 HydrophobicContact SD-SD 4.26Å; R231-M233 VanDerWaalsContact C-N 3.35Å; M233-T235 VanDerWaalsContact C-N 3.33Å; M233-T235 PolarHBondContact O-N 3.08Å; M233-Y236 PolarHBondContact O-N 3.38Å; M233-Y236 VanDerWaalsContact O-N 3.14Å; M233-F237 HydrophobicContact CG-CD2 3.97Å; M233-F237 HydrophobicContact CG-CE2 3.47Å; M233-F237 VanDerWaalsContact CG-CE2 3.47Å; M233-F237 HydrophobicContact CG-CZ 3.99Å; M233-F237 PolarHBondContact O-N 3.1Å; M233-F237 HydrophobicContact SD-CD2 4.45Å; M233-F237 HydrophobicContact SD-CE2 3.71Å; M233-F237 HydrophobicContact SD-CZ 4.43Å; M233-I243 HydrophobicContact CG-CD1 3.95Å
234I88.7Confident90.4Very high94 Ų9460.3 Ų60.348%0.48232%0.316SS..Hα-helixtrans-59.6-46.9177.2-66.1165.2000109.7M230 R231 Y236 F237 C238M230-I234 VanDerWaalsContact O-CG1 3.32Å; M230-I234 WeakPolarHBondContact O-CG1 3.28Å; M230-I234 PolarHBondContact O-N 2.8Å; R231-I234 PolarHBondContact O-N 2.93Å; I234-Y236 VanDerWaalsContact C-N 3.3Å; I234-Y236 PolarHBondContact O-N 3.07Å; I234-F237 PolarHBondContact O-N 3.24Å; I234-C238 WeakPolarHBondContact O-CB 3.27Å; I234-C238 PolarHBondContact O-N 2.62Å; I234-C238 PolarHBondContact O-SG 2.7Å
235T91.9Very high90.1Very high72 Ų7260.8 Ų60.844%0.44232%0.318SS..Hα-helixtrans-58.4-41.4175.7-55.90000112.2R231 K232 M233 C238 T239R231-T235 PolarHBondContact O-N 2.91Å; R231-T235 PolarHBondContact O-OG1 2.99Å; K232-T235 PolarHBondContact O-N 3.34Å; M233-T235 VanDerWaalsContact C-N 3.33Å; M233-T235 PolarHBondContact O-N 3.08Å; T235-C238 PolarHBondContact O-N 3.33Å; T235-T239 HydrophobicContact CG2-CG2 4.31Å; T235-T239 WeakPolarHBondContact O-CB 3.32Å; T235-T239 VanDerWaalsContact O-CG2 3.32Å; T235-T239 WeakPolarHBondContact O-CG2 2.73Å; T235-T239 PolarHBondContact O-N 3.34Å; T235-T239 PolarHBondContact O-OG1 1.98Å
236Y90.8Very high89.7Confident42 Ų4263 Ų6317%0.16533%0.332CS..Hα-helixtrans-63.3-49.1179.1-81.415.8000111.2I228 K232 M233 I234 C238 T239 G240 R241 T242 I243I228-Y236 HydrophobicContact CD1-CD2 4.05Å; I228-Y236 HydrophobicContact CD1-CE2 4.38Å; K232-Y236 WeakPolarHBondContact CE-OH 3.4Å; K232-Y236 HydrophobicContact CG-CD1 4.21Å; K232-Y236 HydrophobicContact CG-CE1 3.88Å; K232-Y236 WeakPolarHBondContact O-CB 3.31Å; K232-Y236 WeakPolarHBondContact O-CD1 3.34Å; K232-Y236 PolarHBondContact O-N 2.84Å; M233-Y236 PolarHBondContact O-N 3.38Å; M233-Y236 VanDerWaalsContact O-N 3.14Å; I234-Y236 VanDerWaalsContact C-N 3.3Å; I234-Y236 PolarHBondContact O-N 3.07Å; Y236-C238 PolarHBondContact O-N 3.42Å; Y236-T239 CarbonylContact O-C 3.56Å; Y236-T239 PolarHBondContact O-N 3.25Å; Y236-T239 PolarHBondContact O-OG1 3.36Å; Y236-G240 PolarHBondContact O-N 3.47Å; Y236-G240 VanDerWaalsContact O-N 3.07Å; Y236-R241 CarbonylContact C-O 3.53Å; Y236-R241 HydrophobicContact CD1-CB 4.26Å; Y236-R241 HydrophobicContact CG-CB 4.11Å; Y236-R241 PolarHBondContact O-N 3.39Å; Y236-R241 VanDerWaalsContact O-O 3.1Å; Y236-T242 WeakPolarHBondContact CD2-O 3.43Å; Y236-I243 HydrophobicContact CD2-CG1 4.33Å
237F86.9Confident88.7Confident73 Ų7364.6 Ų64.632%0.3234%0.342SS..Hα-helixtrans-63-42.4177-64.3-33.2000112.9M233 I234 T239 G240 I243M233-F237 HydrophobicContact CG-CD2 3.97Å; M233-F237 HydrophobicContact CG-CE2 3.47Å; M233-F237 VanDerWaalsContact CG-CE2 3.47Å; M233-F237 HydrophobicContact CG-CZ 3.99Å; M233-F237 PolarHBondContact O-N 3.1Å; M233-F237 HydrophobicContact SD-CD2 4.45Å; M233-F237 HydrophobicContact SD-CE2 3.71Å; M233-F237 HydrophobicContact SD-CZ 4.43Å; I234-F237 PolarHBondContact O-N 3.24Å; F237-T239 VanDerWaalsContact C-N 3.28Å; F237-T239 PolarHBondContact O-N 3.5Å; F237-G240 PolarHBondContact O-N 3.02Å; F237-I243 HydrophobicContact CE1-CD1 4.45Å; F237-I243 HydrophobicContact CZ-CD1 4.11Å
238C89Confident87.1Confident104 Ų10462.8 Ų62.870%0.70333%0.331SS*.Hα-helixtrans-65.5-28.6176.7-67.60000113.6I234 T235 Y236I234-C238 WeakPolarHBondContact O-CB 3.27Å; I234-C238 PolarHBondContact O-N 2.62Å; I234-C238 PolarHBondContact O-SG 2.7Å; T235-C238 PolarHBondContact O-N 3.33Å; Y236-C238 PolarHBondContact O-N 3.42Å
239T90.5Very high84.9Confident80 Ų8070.3 Ų70.349%0.49136%0.363SS..THydrogen-bonded Turntrans-96.33.4179.956.40000113.5T235 Y236 F237 R241T235-T239 HydrophobicContact CG2-CG2 4.31Å; T235-T239 WeakPolarHBondContact O-CB 3.32Å; T235-T239 VanDerWaalsContact O-CG2 3.32Å; T235-T239 WeakPolarHBondContact O-CG2 2.73Å; T235-T239 PolarHBondContact O-N 3.34Å; T235-T239 PolarHBondContact O-OG1 1.98Å; Y236-T239 CarbonylContact O-C 3.56Å; Y236-T239 PolarHBondContact O-N 3.25Å; Y236-T239 PolarHBondContact O-OG1 3.36Å; F237-T239 VanDerWaalsContact C-N 3.28Å; F237-T239 PolarHBondContact O-N 3.5Å; T239-R241 PolarHBondContact O-N 2.97Å
240G86.4Confident82.2Confident65 Ų6571.7 Ų71.767%0.6737%0.373SS*.THydrogen-bonded Turntrans67.715.2-175.400000114.3Y236 F237Y236-G240 PolarHBondContact O-N 3.47Å; Y236-G240 VanDerWaalsContact O-N 3.07Å; F237-G240 PolarHBondContact O-N 3.02Å
241R89.2Confident79.9Confident164 Ų16473.9 Ų73.962%0.61938%0.383SS*.PPolyproline II helixtrans-83.3150.6173.9-66.5-177.1-178.8-176.71.5110.5Y236 T239Y236-R241 CarbonylContact C-O 3.53Å; Y236-R241 HydrophobicContact CD1-CB 4.26Å; Y236-R241 HydrophobicContact CG-CB 4.11Å; Y236-R241 PolarHBondContact O-N 3.39Å; Y236-R241 VanDerWaalsContact O-O 3.1Å; T239-R241 PolarHBondContact O-N 2.97Å
242T90.7Very high77.2Confident19 Ų1972.3 Ų72.312%0.11738%0.384CS..PPolyproline II helixtrans-96.5148.3177.648.70000111.7N80 I83 N84 Y236 P244N80-T242 WeakPolarHBondContact OD1-CA 3.44Å; N80-T242 WeakPolarHBondContact OD1-CB 3.38Å; N80-T242 WeakPolarHBondContact OD1-CG2 3.36Å; I83-T242 HydrophobicContact CB-CG2 3.71Å; I83-T242 HydrophobicContact CD1-CG2 4.06Å; I83-T242 HydrophobicContact CG2-CG2 3.51Å; N84-T242 WeakPolarHBondContact OD1-CB 2.91Å; N84-T242 PolarHBondContact OD1-OG1 2.87Å; Y236-T242 WeakPolarHBondContact CD2-O 3.43Å; T242-P244 WeakPolarHBondContact O-CD 3.28Å
243I91.3Very high74.6Confident1 Ų173.8 Ų73.81%0.00540%0.401CS..PPolyproline II helixtrans-72.5120167.2-49.1177.2000106.5F7 N80 N84 F225 E226 I228 M233 Y236 F237F7-I243 HydrophobicContact CD2-CD1 3.58Å; F7-I243 HydrophobicContact CE2-CD1 3.64Å; F7-I243 HydrophobicContact CG-CD1 4.14Å; F7-I243 HydrophobicContact CZ-CD1 4.26Å; N80-I243 PolarHBondContact ND2-O 3.31Å; N80-I243 PolarHBondContact OD1-N 3.1Å; N84-I243 PolarHBondContact ND2-O 2.94Å; F225-I243 HydrophobicContact CB-CG2 4.08Å; F225-I243 WeakPolarHBondContact CD1-O 3.32Å; E226-I243 WeakPolarHBondContact O-CG2 3.14Å; I228-I243 HydrophobicContact CD1-CB 4.39Å; I228-I243 HydrophobicContact CD1-CD1 3.94Å; I228-I243 HydrophobicContact CD1-CG1 3.75Å; I228-I243 HydrophobicContact CD1-CG2 3.97Å; I228-I243 HydrophobicContact CG1-CD1 4.4Å; I228-I243 HydrophobicContact CG1-CG2 4.22Å; I228-I243 HydrophobicContact CG2-CG2 4.49Å; M233-I243 HydrophobicContact CG-CD1 3.95Å; Y236-I243 HydrophobicContact CD2-CG1 4.33Å; F237-I243 HydrophobicContact CE1-CD1 4.45Å; F237-I243 HydrophobicContact CZ-CD1 4.11Å
244P89.2Confident72.2Confident23 Ų2381.4 Ų81.415%0.14944%0.441CS..PPolyproline II helixtrans-66.4157.5-176.328.2-35.9000111.9F225 E226 T242 M248F225-P244 WeakPolarHBondContact CA-O 3.32Å; E226-P244 HydrophobicContact CB-CG 4.27Å; E226-P244 HydrophobicContact CG-CG 3.95Å; E226-P244 PolarHBondContact N-O 3.1Å; E226-P244 WeakPolarHBondContact OE2-CG 3Å; T242-P244 WeakPolarHBondContact O-CD 3.28Å; P244-M248 HydrophobicContact CB-CB 4.44Å; P244-M248 HydrophobicContact CB-SD 4.11Å
245F86.8Confident70Confident15 Ų1584.5 Ų84.57%0.06646%0.457CS..BIsolated β-bridgetrans-68.3149.8166.5-63.6-47.9000109.7N84 T224 F225 N247 M248N84-F245 HydrophobicContact CB-CD2 4.14Å; N84-F245 HydrophobicContact CB-CE1 4.37Å; N84-F245 HydrophobicContact CB-CE2 3.46Å; N84-F245 VanDerWaalsContact CB-CE2 3.46Å; N84-F245 HydrophobicContact CB-CZ 3.59Å; T224-F245 CarbonylContact O-C 3.6Å; T224-F245 VanDerWaalsContact O-CA 3.23Å; T224-F245 WeakPolarHBondContact O-CA 3.46Å; F225-F245 AromaticContact CD1-CD1 3.7Å; F225-F245 HydrophobicContact CD1-CD1 3.7Å; F225-F245 AromaticContact CD1-CE1 3.86Å; F225-F245 HydrophobicContact CD1-CE1 3.86Å; F225-F245 AromaticContact CE1-CD1 3.59Å; F225-F245 HydrophobicContact CE1-CD1 3.59Å; F225-F245 AromaticContact CE1-CE1 3.22Å; F225-F245 HydrophobicContact CE1-CE1 3.22Å; F225-F245 HydrophobicContact CE1-CZ 4.19Å; F225-F245 HydrophobicContact CE2-CE1 4.41Å; F225-F245 HydrophobicContact CG-CD1 4.42Å; F225-F245 HydrophobicContact CZ-CD1 4.21Å; F225-F245 AromaticContact CZ-CE1 3.57Å; F225-F245 HydrophobicContact CZ-CE1 3.57Å; F245-N247 PolarHBondContact O-N 3.32Å; F245-M248 HydrophobicContact CB-CE 3.83Å; F245-M248 HydrophobicContact CB-CG 4.12Å; F245-M248 HydrophobicContact CB-SD 4.46Å; F245-M248 HydrophobicContact CD2-CE 3.09Å; F245-M248 HydrophobicContact CE2-CE 3.77Å; F245-M248 HydrophobicContact CG-CE 3.71Å; F245-M248 PolarHBondContact O-N 3.35Å
246V83.4Confident67.5Low47 Ų4789.8 Ų89.829%0.28548%0.477SS..THydrogen-bonded Turntrans-54.9130.5172.7-179.10000108.8F162 T224 F225F162-V246 HydrophobicContact CD1-CB 4.36Å; F162-V246 HydrophobicContact CD1-CG1 4.05Å; F162-V246 HydrophobicContact CE1-CB 3.96Å; F162-V246 HydrophobicContact CE1-CG1 3.95Å; F162-V246 HydrophobicContact CE1-CG2 3.95Å; F162-V246 HydrophobicContact CZ-CG2 4.44Å; T224-V246 PolarHBondContact O-N 3.47Å; F225-V246 WeakPolarHBondContact O-CG2 3.49Å
247N69.8Low65.2Low71 Ų7193.5 Ų93.538%0.3850%0.504SS..THydrogen-bonded Turntrans75.111.5-179-52.9-34.2000117.7S160 F245 K249 S250S160-N247 PolarHBondContact OG-ND2 3.32Å; F245-N247 PolarHBondContact O-N 3.32Å; N247-K249 PolarHBondContact O-N 3.29Å; N247-K249 VanDerWaalsContact O-N 3.16Å; N247-S250 PolarHBondContact O-N 3.39Å; N247-S250 PolarHBondContact O-OG 3.08Å
248M58.1Low62.8Low42 Ų42103.4 Ų103.421%0.20755%0.547CS..G310 helixtrans-64.3-14.9169.3-82.4-170.3-173.400113.9N84 P244 F245 S250 E251N84-M248 HydrophobicContact CB-CE 3.92Å; P244-M248 HydrophobicContact CB-CB 4.44Å; P244-M248 HydrophobicContact CB-SD 4.11Å; F245-M248 HydrophobicContact CB-CE 3.83Å; F245-M248 HydrophobicContact CB-CG 4.12Å; F245-M248 HydrophobicContact CB-SD 4.46Å; F245-M248 HydrophobicContact CD2-CE 3.09Å; F245-M248 HydrophobicContact CE2-CE 3.77Å; F245-M248 HydrophobicContact CG-CE 3.71Å; F245-M248 PolarHBondContact O-N 3.35Å; M248-S250 VanDerWaalsContact C-N 3.34Å; M248-S250 PolarHBondContact O-N 3.49Å; M248-E251 PolarHBondContact O-N 3.13Å
249K46.4Very low61.5Low165 Ų165103.4 Ų103.472%0.71754%0.539SS*.G310 helixtrans-80.2-6.8-179.3-77-177.9179.5173.50115.2N247 E251N247-K249 PolarHBondContact O-N 3.29Å; N247-K249 VanDerWaalsContact O-N 3.16Å; K249-E251 VanDerWaalsContact C-N 3.31Å
250S36.8Very low60Low90 Ų90104.6 Ų104.663%0.62954%0.542SS*.G310 helixtrans-89.86.917160.30000113.3N247 M248 Q252N247-S250 PolarHBondContact O-N 3.39Å; N247-S250 PolarHBondContact O-OG 3.08Å; M248-S250 VanDerWaalsContact C-N 3.34Å; M248-S250 PolarHBondContact O-N 3.49Å; S250-Q252 VanDerWaalsContact C-N 3.29Å; S250-Q252 PolarHBondContact O-N 2.93Å
251E40.6Very low58.5Low103 Ų103106.8 Ų106.848%0.48154%0.535SS..  trans-82.867.5179-64.2177.1175.100111.4M248 K249M248-E251 PolarHBondContact O-N 3.13Å; K249-E251 VanDerWaalsContact C-N 3.31Å
252Q32.7Very low56.7Low175 Ų175103.5 Ų103.582%0.81853%0.53SS*.SBendtrans-96.7129.1137.1-97.6-175.5-43.100106S250 L254S250-Q252 VanDerWaalsContact C-N 3.29Å; S250-Q252 PolarHBondContact O-N 2.93Å; Q252-L254 PolarHBondContact O-N 2.77Å
253P37.1Very low54.6Low100 Ų100108.8 Ų108.865%0.64956%0.556SS**  trans-62.5123.5-171.424.9-32000109.9L255P253-L255 HydrophobicContact CB-CB 4.26Å; P253-L255 PolarHBondContact O-N 3.39Å
254L40.6Very low52.1Low165 Ų165115.9 Ų115.986%0.86459%0.592SS**SBendtrans-68.129.2159.9-92.2162.5000112Q252Q252-L254 PolarHBondContact O-N 2.77Å
255L42.5Very low49.5Very low158 Ų158122.6 Ų122.683%0.82762%0.624SS**  trans-107.252170.7-68.8168.9000109.2P253P253-L255 HydrophobicContact CB-CB 4.26Å; P253-L255 PolarHBondContact O-N 3.39Å
256E38.2Very low46.6Very low183 Ų183130.8 Ų130.886%0.85567%0.667SS**  trans-143.155.8159.4-77.4-163.9171.300108.8
257V43.4Very low43.6Very low121 Ų121137.8 Ų137.873%0.73370%0.699SS**  trans-145.5102.6161.8-173.50000109.1
258K36.8Very low41.2Very low281 Ų281143.9 Ų143.9100%1.22273%0.728SS**  trans76.40176.7-79.2-176.4174.4-179.50118.4

Retrieved 258 of 258 residues in 58.5 ms (Link to these results)

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