A0A093HV54_STRCA Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A093HV54, Species STRCA (Struthio camelus australis), Gene n/a, Length 265 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
1M41.8Very low70.3Confident236 Ų236107.6 Ų107.6100%1.16357%0.569SS**  0115.80-82.716914800107.5
2G45.4Very low72.3Confident70 Ų70106.8 Ų106.872%0.72256%0.56SS**  trans-65.1153.3-177.800000112.3R4G2-R4 PolarHBondContact O-N 3.29Å
3L52.4Low73.9Confident153 Ų15398.6 Ų98.680%0.80152%0.517SS*.  trans-6395.3175.2-143.997.1000108.2I5L3-I5 HydrophobicContact CD2-CG1 4.18Å; L3-I5 PolarHBondContact O-N 3.47Å; L3-I5 VanDerWaalsContact O-N 3.17Å
4R63.9Low75.2Confident213 Ų21399.6 Ų99.680%0.80451%0.51SS*.  trans-77.899.9171.2-74.3-173.2178.5-176.8-0.7107.1G2 H6G2-R4 PolarHBondContact O-N 3.29Å; R4-H6 PolarHBondContact O-N 3.11Å
5I71.2Confident76.6Confident121 Ų121102.1 Ų102.162%0.62152%0.517SS*.  trans-69120.3175.8-62174.6000107.6L3 V69L3-I5 HydrophobicContact CD2-CG1 4.18Å; L3-I5 PolarHBondContact O-N 3.47Å; L3-I5 VanDerWaalsContact O-N 3.17Å; I5-V69 HydrophobicContact CG2-CB 4.28Å; I5-V69 HydrophobicContact CG2-CG1 4.49Å
6H77.7Confident77.8Confident25 Ų2596.4 Ų96.412%0.11649%0.489CS..  trans-97.9135171.6-176.1-88.4000109R4 V8 V69 H111 N125R4-H6 PolarHBondContact O-N 3.11Å; H6-V8 VanDerWaalsContact CE1-CG2 3.45Å; H6-V8 WeakPolarHBondContact CE1-CG2 3.48Å; H6-V69 PolarHBondContact N-O 2.88Å; H6-H111 AromaticContact CE1-NE2 3.65Å; H6-H111 AromaticContact NE2-CE1 3.6Å; H6-H111 AromaticContact NE2-NE2 3.11Å; H6-H111 PolarHBondContact NE2-NE2 3.47Å; H6-H111 VanDerWaalsContact NE2-NE2 3.11Å; H6-N125 PolarHBondContact CE1-OD1 2.97Å; H6-N125 PolarHBondContact ND1-OD1 3.17Å
7F76.3Confident78.7Confident132 Ų13291.5 Ų91.558%0.57946%0.464SS*.  trans-138.4134.8-176.8-169.3-90.7000109.9V9 W14F7-V9 HydrophobicContact CD1-CG2 4.24Å; F7-V9 HydrophobicContact CE1-CG2 4.13Å; F7-W14 HydrophobicContact CD2-CH2 4.26Å; F7-W14 AromaticContact CD2-CZ2 3.96Å; F7-W14 HydrophobicContact CD2-CZ2 3.96Å; F7-W14 AromaticContact CE1-CZ2 3.74Å; F7-W14 HydrophobicContact CE1-CZ2 3.74Å; F7-W14 AromaticContact CE2-CH2 3.3Å; F7-W14 HydrophobicContact CE2-CH2 3.3Å; F7-W14 AromaticContact CE2-CZ2 3.08Å; F7-W14 HydrophobicContact CE2-CZ2 3.08Å; F7-W14 AromaticContact CZ-CE2 3.73Å; F7-W14 AromaticContact CZ-CH2 3.59Å; F7-W14 HydrophobicContact CZ-CH2 3.59Å; F7-W14 AromaticContact CZ-CZ2 2.95Å; F7-W14 HydrophobicContact CZ-CZ2 2.95Å
8V81.2Confident79.7Confident7 Ų788.6 Ų88.64%0.04246%0.461CS..  trans-118.3132.5179.2-175.50000109.6H6 D10 W14 C109 N124H6-V8 VanDerWaalsContact CE1-CG2 3.45Å; H6-V8 WeakPolarHBondContact CE1-CG2 3.48Å; V8-D10 HydrophobicContact CG1-CB 4.13Å; V8-D10 PolarHBondContact O-N 3.39Å; V8-W14 PolarHBondContact O-NE1 3.22Å; V8-C109 HydrophobicContact CG1-CB 4.49Å; V8-C109 HydrophobicContact CG2-CB 4.45Å; V8-C109 VanDerWaalsContact CG2-SG 3.6Å; V8-N124 PolarHBondContact O-ND2 3.21Å
9V82.9Confident80.5Confident120 Ų12087.9 Ų87.973%0.72746%0.457SS*.  trans-91.977.6175.9-170.70000108.7F7F7-V9 HydrophobicContact CD1-CG2 4.24Å; F7-V9 HydrophobicContact CE1-CG2 4.13Å
10D89.3Confident81.2Confident5 Ų585.6 Ų85.63%0.02745%0.445CS..  trans-119104.5174.7177.119000109.2V8 Q12 G13 W14 R108 H119 N124V8-D10 HydrophobicContact CG1-CB 4.13Å; V8-D10 PolarHBondContact O-N 3.39Å; D10-Q12 PolarHBondContact O-N 3.29Å; D10-Q12 PolarHBondContact OD1-N 3.45Å; D10-G13 WeakPolarHBondContact O-CA 3.45Å; D10-G13 PolarHBondContact O-N 3.49Å; D10-W14 VanDerWaalsContact O-CD1 3.26Å; D10-W14 PolarHBondContact O-N 2.81Å; D10-R108 IonicContact OD1-CZ 3.92Å; D10-R108 IonicContact OD1-NH1 3.44Å; D10-R108 PolarHBondContact OD1-NH1 3.09Å; D10-R108 IonicContact OD2-NH1 3.27Å; D10-H119 IonicContact OD2-CD2 3.97Å; D10-H119 IonicContact OD2-CE1 3.9Å; D10-H119 IonicContact OD2-NE2 3.33Å; D10-H119 PolarHBondContact OD2-NE2 2.69Å; D10-N124 WeakPolarHBondContact CB-OD1 3.21Å
11P91.7Very high81.9Confident102 Ų10284.6 Ų84.666%0.66244%0.44SS*.Hα-helixtrans-55.8-35.7-176.3-27.334.7000113.7W14 F15P11-W14 PolarHBondContact O-N 3.31Å; P11-F15 PolarHBondContact O-N 3.3Å; P11-F15 VanDerWaalsContact O-N 3.11Å
12Q94.1Very high84.5Confident98 Ų9879.4 Ų79.446%0.45841%0.411SS..Hα-helixtrans-66.2-41.2175.4-177.1176.64.500111.2D10 F15 C16D10-Q12 PolarHBondContact O-N 3.29Å; D10-Q12 PolarHBondContact OD1-N 3.45Å; Q12-F15 PolarHBondContact O-N 2.83Å; Q12-C16 PolarHBondContact O-N 2.89Å; Q12-C16 PolarHBondContact O-SG 3.34Å
13G92.7Very high86.9Confident0 Ų077.1 Ų77.10%038%0.383CS..Hα-helixtrans-62.7-41.6175.200000112.5D10 F15 C16 M17 P121D10-G13 WeakPolarHBondContact O-CA 3.45Å; D10-G13 PolarHBondContact O-N 3.49Å; G13-F15 PolarHBondContact O-N 3.35Å; G13-C16 PolarHBondContact O-N 2.95Å; G13-M17 WeakPolarHBondContact O-CB 3.4Å; G13-M17 WeakPolarHBondContact O-CG 3.35Å; G13-M17 PolarHBondContact O-N 3.2Å; G13-P121 WeakPolarHBondContact CA-O 3.27Å
14W92.6Very high89.1Confident112 Ų11272.8 Ų72.842%0.42436%0.356SS..Hα-helixtrans-60.1-44.1174.2-78.1105.9000113F7 V8 D10 P11 M17 G18 N124F7-W14 HydrophobicContact CD2-CH2 4.26Å; F7-W14 AromaticContact CD2-CZ2 3.96Å; F7-W14 HydrophobicContact CD2-CZ2 3.96Å; F7-W14 AromaticContact CE1-CZ2 3.74Å; F7-W14 HydrophobicContact CE1-CZ2 3.74Å; F7-W14 AromaticContact CE2-CH2 3.3Å; F7-W14 HydrophobicContact CE2-CH2 3.3Å; F7-W14 AromaticContact CE2-CZ2 3.08Å; F7-W14 HydrophobicContact CE2-CZ2 3.08Å; F7-W14 AromaticContact CZ-CE2 3.73Å; F7-W14 AromaticContact CZ-CH2 3.59Å; F7-W14 HydrophobicContact CZ-CH2 3.59Å; F7-W14 AromaticContact CZ-CZ2 2.95Å; F7-W14 HydrophobicContact CZ-CZ2 2.95Å; V8-W14 PolarHBondContact O-NE1 3.22Å; D10-W14 VanDerWaalsContact O-CD1 3.26Å; D10-W14 PolarHBondContact O-N 2.81Å; P11-W14 PolarHBondContact O-N 3.31Å; W14-M17 PolarHBondContact O-N 3.23Å; W14-G18 PolarHBondContact O-N 2.9Å; W14-N124 VanDerWaalsContact CZ2-ND2 3.27Å; W14-N124 WeakPolarHBondContact CZ2-ND2 3.37Å; W14-N124 PolarHBondContact NE1-ND2 2.86Å
15F95.5Very high90.6Very high138 Ų13866.9 Ų66.961%0.60534%0.34SS*.Hα-helixtrans-62.1-48.5176178.3-104.6000111.7P11 Q12 G13 M17 G18 L19P11-F15 PolarHBondContact O-N 3.3Å; P11-F15 VanDerWaalsContact O-N 3.11Å; Q12-F15 PolarHBondContact O-N 2.83Å; G13-F15 PolarHBondContact O-N 3.35Å; F15-M17 PolarHBondContact O-N 2.88Å; F15-G18 PolarHBondContact O-N 3.44Å; F15-L19 HydrophobicContact CD1-CD1 4.06Å; F15-L19 HydrophobicContact CE1-CD1 3.47Å; F15-L19 VanDerWaalsContact CE1-CD1 3.47Å; F15-L19 HydrophobicContact CE1-CG 4.17Å; F15-L19 HydrophobicContact CE2-CD2 4.45Å; F15-L19 HydrophobicContact CE2-CG 4.44Å; F15-L19 HydrophobicContact CZ-CD1 3.74Å; F15-L19 HydrophobicContact CZ-CD2 4.22Å; F15-L19 HydrophobicContact CZ-CG 4.11Å; F15-L19 WeakPolarHBondContact O-CG 3.03Å; F15-L19 PolarHBondContact O-N 3.06Å
16C95.4Very high91.8Very high11 Ų1163 Ų637%0.07432%0.318CS..Hα-helixtrans-59.5-44.5177-75.40000112.6Q12 G13 L19 I20 P121 W122Q12-C16 PolarHBondContact O-N 2.89Å; Q12-C16 PolarHBondContact O-SG 3.34Å; G13-C16 PolarHBondContact O-N 2.95Å; C16-L19 PolarHBondContact O-N 2.65Å; C16-I20 PolarHBondContact O-N 3.35Å; C16-I20 VanDerWaalsContact O-N 3.14Å; C16-P121 HydrophobicContact CB-CB 4.22Å; C16-P121 WeakPolarHBondContact CB-O 3.26Å; C16-W122 HydrophobicContact CB-CD2 4.19Å; C16-W122 HydrophobicContact CB-CE3 3.62Å; C16-W122 HydrophobicContact CB-CZ3 3.91Å
17M94.1Very high92.6Very high12 Ų1262.5 Ų62.56%0.05932%0.316CS..Hα-helixtrans-60.4-43174.6-79.1-71.4-6800112.1G13 W14 F15 L19 I20 I21 L64 I123 N124G13-M17 WeakPolarHBondContact O-CB 3.4Å; G13-M17 WeakPolarHBondContact O-CG 3.35Å; G13-M17 PolarHBondContact O-N 3.2Å; W14-M17 PolarHBondContact O-N 3.23Å; F15-M17 PolarHBondContact O-N 2.88Å; M17-L19 VanDerWaalsContact C-N 3.35Å; M17-L19 PolarHBondContact O-N 3.36Å; M17-I20 WeakPolarHBondContact O-CG1 3.33Å; M17-I20 PolarHBondContact O-N 2.82Å; M17-I20 HydrophobicContact SD-CD1 3.9Å; M17-I21 HydrophobicContact CE-CD1 4.43Å; M17-I21 WeakPolarHBondContact O-CB 3.45Å; M17-I21 VanDerWaalsContact O-CG1 3.27Å; M17-I21 WeakPolarHBondContact O-CG1 3.48Å; M17-I21 PolarHBondContact O-N 2.84Å; M17-L64 HydrophobicContact CE-CD1 4.24Å; M17-L64 HydrophobicContact CE-CD2 4.38Å; M17-L64 HydrophobicContact CE-CG 4.2Å; M17-L64 HydrophobicContact SD-CD1 3.86Å; M17-L64 HydrophobicContact SD-CG 4.43Å; M17-I123 VanDerWaalsContact SD-CA 3.56Å; M17-N124 HydrophobicContact CG-CB 3.73Å
18G95.6Very high93.5Very high40 Ų4057 Ų5741%0.41229%0.293SS..Hα-helixtrans-60.1-43.7176.100000112.3W14 F15 I21 F22W14-G18 PolarHBondContact O-N 2.9Å; F15-G18 PolarHBondContact O-N 3.44Å; G18-I21 PolarHBondContact O-N 2.86Å; G18-F22 WeakPolarHBondContact O-CB 3.47Å; G18-F22 PolarHBondContact O-N 3.27Å
19L95.4Very high94.2Very high75 Ų7560.7 Ų60.739%0.39332%0.316SS..Hα-helixtrans-62.1-46.5177.8-70.4-179.4000112.6F15 C16 M17 I21 F22 V23F15-L19 HydrophobicContact CD1-CD1 4.06Å; F15-L19 HydrophobicContact CE1-CD1 3.47Å; F15-L19 VanDerWaalsContact CE1-CD1 3.47Å; F15-L19 HydrophobicContact CE1-CG 4.17Å; F15-L19 HydrophobicContact CE2-CD2 4.45Å; F15-L19 HydrophobicContact CE2-CG 4.44Å; F15-L19 HydrophobicContact CZ-CD1 3.74Å; F15-L19 HydrophobicContact CZ-CD2 4.22Å; F15-L19 HydrophobicContact CZ-CG 4.11Å; F15-L19 WeakPolarHBondContact O-CG 3.03Å; F15-L19 PolarHBondContact O-N 3.06Å; C16-L19 PolarHBondContact O-N 2.65Å; M17-L19 VanDerWaalsContact C-N 3.35Å; M17-L19 PolarHBondContact O-N 3.36Å; L19-I21 PolarHBondContact O-N 3.29Å; L19-F22 WeakPolarHBondContact O-CB 3.45Å; L19-F22 PolarHBondContact O-N 3.11Å; L19-V23 WeakPolarHBondContact O-CG2 3.44Å; L19-V23 PolarHBondContact O-N 2.9Å
20I95.2Very high94.6Very high42 Ų4256.1 Ų56.122%0.21529%0.286CS..Hα-helixtrans-69-35.2-17963.2176.2000112.1C16 M17 F22 V23 W24 L64 W122C16-I20 PolarHBondContact O-N 3.35Å; C16-I20 VanDerWaalsContact O-N 3.14Å; M17-I20 WeakPolarHBondContact O-CG1 3.33Å; M17-I20 PolarHBondContact O-N 2.82Å; M17-I20 HydrophobicContact SD-CD1 3.9Å; I20-F22 VanDerWaalsContact C-N 3.33Å; I20-V23 PolarHBondContact O-N 2.79Å; I20-W24 VanDerWaalsContact O-CB 3.26Å; I20-W24 WeakPolarHBondContact O-CB 3.46Å; I20-W24 PolarHBondContact O-N 2.78Å; I20-L64 HydrophobicContact CD1-CD1 3.45Å; I20-L64 VanDerWaalsContact CD1-CD1 3.45Å; I20-L64 HydrophobicContact CD1-CD2 3.41Å; I20-L64 VanDerWaalsContact CD1-CD2 3.41Å; I20-L64 HydrophobicContact CD1-CG 4.06Å; I20-L64 HydrophobicContact CG1-CD2 3.92Å; I20-W122 WeakPolarHBondContact CD1-O 3.43Å; I20-W122 HydrophobicContact CG2-CE3 3.64Å; I20-W122 HydrophobicContact CG2-CZ3 4.03Å
21I96.4Very high94.8Very high65 Ų6555.9 Ų55.933%0.33329%0.285SS..Hα-helixtrans-66.5-40.8174.9-69.9168.9000109.7M17 G18 L19 W24 L25 L64M17-I21 HydrophobicContact CE-CD1 4.43Å; M17-I21 WeakPolarHBondContact O-CB 3.45Å; M17-I21 VanDerWaalsContact O-CG1 3.27Å; M17-I21 WeakPolarHBondContact O-CG1 3.48Å; M17-I21 PolarHBondContact O-N 2.84Å; G18-I21 PolarHBondContact O-N 2.86Å; L19-I21 PolarHBondContact O-N 3.29Å; I21-W24 PolarHBondContact O-N 3.2Å; I21-L25 VanDerWaalsContact O-CB 3.27Å; I21-L25 WeakPolarHBondContact O-CB 3.45Å; I21-L25 PolarHBondContact O-N 3.27Å; I21-L64 HydrophobicContact CG1-CD2 4.21Å
22F96.3Very high94.9Very high126 Ų12651 Ų5155%0.55325%0.253SS*.Hα-helixtrans-60.4-48.7174.6174.4-95.6000111.7G18 L19 I20 W24 L25 Y26G18-F22 WeakPolarHBondContact O-CB 3.47Å; G18-F22 PolarHBondContact O-N 3.27Å; L19-F22 WeakPolarHBondContact O-CB 3.45Å; L19-F22 PolarHBondContact O-N 3.11Å; I20-F22 VanDerWaalsContact C-N 3.33Å; F22-W24 VanDerWaalsContact C-N 3.34Å; F22-W24 PolarHBondContact O-N 3.37Å; F22-L25 PolarHBondContact O-N 3.11Å; F22-Y26 VanDerWaalsContact O-CB 3.27Å; F22-Y26 WeakPolarHBondContact O-CB 3.45Å; F22-Y26 PolarHBondContact O-N 2.92Å
23V95.6Very high94.8Very high23 Ų2353.8 Ų53.814%0.13926%0.264CS..Hα-helixtrans-64.5-39.9178.5177.30000111.5L19 I20 N27 M186 I190L19-V23 WeakPolarHBondContact O-CG2 3.44Å; L19-V23 PolarHBondContact O-N 2.9Å; I20-V23 PolarHBondContact O-N 2.79Å; V23-N27 WeakPolarHBondContact CG1-ND2 3.27Å; V23-N27 PolarHBondContact O-N 2.82Å; V23-N27 PolarHBondContact O-ND2 2.84Å; V23-M186 HydrophobicContact CG1-CB 4.36Å; V23-M186 HydrophobicContact CG1-SD 4.07Å; V23-M186 HydrophobicContact CG2-SD 3.94Å; V23-I190 HydrophobicContact CB-CD1 4.33Å; V23-I190 HydrophobicContact CG1-CD1 3.52Å
24W97.1Very high94.6Very high61 Ų6154.9 Ų54.923%0.23127%0.27CS..Hα-helixtrans-62-46.4174.9170.681.6000111.8I20 I21 F22 N27 T28 S57 I61I20-W24 VanDerWaalsContact O-CB 3.26Å; I20-W24 WeakPolarHBondContact O-CB 3.46Å; I20-W24 PolarHBondContact O-N 2.78Å; I21-W24 PolarHBondContact O-N 3.2Å; F22-W24 VanDerWaalsContact C-N 3.34Å; F22-W24 PolarHBondContact O-N 3.37Å; W24-N27 PolarHBondContact O-N 3.47Å; W24-T28 HydrophobicContact CZ2-CG2 4.33Å; W24-T28 PolarHBondContact NE1-OG1 3.26Å; W24-T28 WeakPolarHBondContact O-CB 3.32Å; W24-T28 PolarHBondContact O-N 3.3Å; W24-T28 PolarHBondContact O-OG1 3.07Å; W24-S57 PolarHBondContact NE1-O 3.24Å; W24-S57 PolarHBondContact NE1-OG 2.96Å; W24-I61 HydrophobicContact CD2-CB 4.22Å; W24-I61 HydrophobicContact CD2-CD1 4.26Å; W24-I61 HydrophobicContact CD2-CG1 4.36Å; W24-I61 HydrophobicContact CE3-CD1 4.28Å; W24-I61 HydrophobicContact CE3-CG1 4.44Å; W24-I61 HydrophobicContact CH2-CB 4.33Å; W24-I61 HydrophobicContact CH2-CG1 4.21Å; W24-I61 HydrophobicContact CH2-CG2 4.25Å; W24-I61 HydrophobicContact CZ2-CB 3.74Å; W24-I61 HydrophobicContact CZ2-CG1 4.11Å; W24-I61 HydrophobicContact CZ2-CG2 3.62Å; W24-I61 HydrophobicContact CZ3-CG1 4.37Å
25L96.7Very high94.6Very high89 Ų8949.6 Ų49.647%0.46625%0.25SS..Hα-helixtrans-65.7-44.1179.1-179.263.6000111.1I21 F22 N27 T28 V29I21-L25 VanDerWaalsContact O-CB 3.27Å; I21-L25 WeakPolarHBondContact O-CB 3.45Å; I21-L25 PolarHBondContact O-N 3.27Å; F22-L25 PolarHBondContact O-N 3.11Å; L25-N27 PolarHBondContact O-N 3.02Å; L25-T28 PolarHBondContact O-N 3.38Å; L25-V29 HydrophobicContact CD1-CG2 3.98Å; L25-V29 WeakPolarHBondContact O-CG2 3.32Å; L25-V29 PolarHBondContact O-N 2.71Å
26Y95.4Very high94.4Very high41 Ų4143 Ų4316%0.16122%0.221CC..Hα-helixtrans-51.8-56.6174.4172.8-95.1000110.2F22 T28 V29 F30 L179F22-Y26 VanDerWaalsContact O-CB 3.27Å; F22-Y26 WeakPolarHBondContact O-CB 3.45Å; F22-Y26 PolarHBondContact O-N 2.92Å; Y26-T28 PolarHBondContact O-N 3.33Å; Y26-V29 PolarHBondContact O-N 3.33Å; Y26-F30 HydrophobicContact CE1-CB 4.49Å; Y26-F30 HydrophobicContact CE1-CD1 4.17Å; Y26-F30 HydrophobicContact CE1-CG 4.44Å; Y26-F30 HydrophobicContact CE2-CB 4.41Å; Y26-F30 HydrophobicContact CE2-CG 4.35Å; Y26-F30 WeakPolarHBondContact O-CB 3.38Å; Y26-F30 PolarHBondContact O-N 3.32Å; Y26-L179 HydrophobicContact CE2-CD2 4.41Å; Y26-L179 PolarHBondContact OH-O 3.48Å
27N94.9Very high94.3Very high13 Ų1346.7 Ų46.77%0.0724%0.236CC..Hα-helixtrans-65.6-42.1-178.9-74.2-63.6000112.4V23 W24 L25 V29 I31 P32 Y53 S183V23-N27 WeakPolarHBondContact CG1-ND2 3.27Å; V23-N27 PolarHBondContact O-N 2.82Å; V23-N27 PolarHBondContact O-ND2 2.84Å; W24-N27 PolarHBondContact O-N 3.47Å; L25-N27 PolarHBondContact O-N 3.02Å; N27-V29 PolarHBondContact O-N 2.96Å; N27-I31 HydrophobicContact CB-CG1 4.32Å; N27-I31 VanDerWaalsContact O-CB 3.29Å; N27-I31 WeakPolarHBondContact O-CB 3.49Å; N27-I31 WeakPolarHBondContact O-CG1 3.24Å; N27-I31 PolarHBondContact O-N 3.49Å; N27-P32 WeakPolarHBondContact O-CD 3.33Å; N27-Y53 PolarHBondContact O-OH 3.48Å; N27-Y53 VanDerWaalsContact O-OH 3.1Å; N27-S183 PolarHBondContact OD1-OG 3.1Å
28T95.8Very high94.2Very high16 Ų1648.1 Ų48.110%0.09825%0.246CC..Hα-helixtrans-63.7-25.5-178.3-60.50000113.1W24 L25 Y26 P32 Y54 S57W24-T28 HydrophobicContact CZ2-CG2 4.33Å; W24-T28 PolarHBondContact NE1-OG1 3.26Å; W24-T28 WeakPolarHBondContact O-CB 3.32Å; W24-T28 PolarHBondContact O-N 3.3Å; W24-T28 PolarHBondContact O-OG1 3.07Å; L25-T28 PolarHBondContact O-N 3.38Å; Y26-T28 PolarHBondContact O-N 3.33Å; T28-P32 WeakPolarHBondContact O-CD 3.24Å; T28-P32 VanDerWaalsContact O-CG 3.25Å; T28-P32 WeakPolarHBondContact O-CG 3.37Å; T28-Y54 HydrophobicContact CG2-CD1 4.36Å; T28-Y54 HydrophobicContact CG2-CE1 4.1Å; T28-S57 PolarHBondContact OG1-OG 3.49Å
29V94.4Very high93.9Very high86 Ų8646.5 Ų46.552%0.52123%0.228SC..Hα-helixtrans-98.3-45.9177176.50000111.5L25 Y26 N27 K33L25-V29 HydrophobicContact CD1-CG2 3.98Å; L25-V29 WeakPolarHBondContact O-CG2 3.32Å; L25-V29 PolarHBondContact O-N 2.71Å; Y26-V29 PolarHBondContact O-N 3.33Å; N27-V29 PolarHBondContact O-N 2.96Å; V29-K33 WeakPolarHBondContact O-CB 3.49Å; V29-K33 PolarHBondContact O-N 3.19Å
30F92.4Very high93.8Very high24 Ų2448.4 Ų48.411%0.10523%0.231CC..Hα-helixtrans-69.7-49.9-172.9180-103.6000112.3Y26 K33 V34 L179 L180Y26-F30 HydrophobicContact CE1-CB 4.49Å; Y26-F30 HydrophobicContact CE1-CD1 4.17Å; Y26-F30 HydrophobicContact CE1-CG 4.44Å; Y26-F30 HydrophobicContact CE2-CB 4.41Å; Y26-F30 HydrophobicContact CE2-CG 4.35Å; Y26-F30 WeakPolarHBondContact O-CB 3.38Å; Y26-F30 PolarHBondContact O-N 3.32Å; F30-K33 PolarHBondContact O-N 3.07Å; F30-V34 HydrophobicContact CD2-CG2 3.86Å; F30-V34 HydrophobicContact CE1-CB 4.5Å; F30-V34 HydrophobicContact CE1-CG2 4.37Å; F30-V34 HydrophobicContact CE2-CB 4.35Å; F30-V34 HydrophobicContact CE2-CG2 3.4Å; F30-V34 VanDerWaalsContact CE2-CG2 3.4Å; F30-V34 HydrophobicContact CG-CG2 4.48Å; F30-V34 HydrophobicContact CZ-CB 4.18Å; F30-V34 HydrophobicContact CZ-CG1 4.23Å; F30-V34 HydrophobicContact CZ-CG2 3.67Å; F30-V34 WeakPolarHBondContact O-CB 3.12Å; F30-V34 PolarHBondContact O-N 2.71Å; F30-L179 HydrophobicContact CD2-CB 4.44Å; F30-L179 HydrophobicContact CD2-CD1 4.27Å; F30-L179 HydrophobicContact CE1-CB 3.96Å; F30-L179 HydrophobicContact CE2-CB 3.49Å; F30-L179 VanDerWaalsContact CE2-CB 3.49Å; F30-L179 HydrophobicContact CE2-CD1 3.48Å; F30-L179 VanDerWaalsContact CE2-CD1 3.48Å; F30-L179 HydrophobicContact CE2-CG 4.08Å; F30-L179 HydrophobicContact CZ-CB 3.21Å; F30-L179 HydrophobicContact CZ-CD1 4.11Å; F30-L179 HydrophobicContact CZ-CG 4.28Å; F30-L180 HydrophobicContact CE1-CD2 4.03Å; F30-L180 HydrophobicContact CE1-CG 4.23Å; F30-L180 HydrophobicContact CZ-CG 4.35Å
31I93.4Very high93.6Very high0 Ų054.4 Ų54.40%026%0.258CS..Hα-helixtrans-63-44.7-175.3-61.4-66.9000111.8N27 K33 I35 L36 Y53 T149 L152 D153N27-I31 HydrophobicContact CB-CG1 4.32Å; N27-I31 VanDerWaalsContact O-CB 3.29Å; N27-I31 WeakPolarHBondContact O-CB 3.49Å; N27-I31 WeakPolarHBondContact O-CG1 3.24Å; N27-I31 PolarHBondContact O-N 3.49Å; I31-K33 VanDerWaalsContact C-N 3.35Å; I31-K33 PolarHBondContact O-N 3.23Å; I31-I35 HydrophobicContact CD1-CD1 4.11Å; I31-I35 HydrophobicContact CG2-CD1 4.35Å; I31-I35 WeakPolarHBondContact O-CA 3.29Å; I31-I35 WeakPolarHBondContact O-CB 3.45Å; I31-I35 PolarHBondContact O-N 3.04Å; I31-L36 PolarHBondContact O-N 2.76Å; I31-Y53 HydrophobicContact CG2-CE2 4Å; I31-T149 HydrophobicContact CD1-CG2 3.76Å; I31-T149 HydrophobicContact CG1-CG2 3.76Å; I31-L152 HydrophobicContact CG2-CB 4.43Å; I31-L152 HydrophobicContact CG2-CD1 3.64Å; I31-D153 WeakPolarHBondContact CD1-OD1 3.34Å
32P94.1Very high93.2Very high0 Ų056.8 Ų56.80%027%0.268CS..Iπ-helixtrans-64.5-39.1175.9-24.936.4000113.4N27 T28 L36 F37 Y53 Y54N27-P32 WeakPolarHBondContact O-CD 3.33Å; T28-P32 WeakPolarHBondContact O-CD 3.24Å; T28-P32 VanDerWaalsContact O-CG 3.25Å; T28-P32 WeakPolarHBondContact O-CG 3.37Å; P32-L36 HydrophobicContact CB-CB 4.36Å; P32-L36 HydrophobicContact CB-CD1 4.12Å; P32-L36 HydrophobicContact CG-CD1 4.05Å; P32-L36 PolarHBondContact O-N 3.46Å; P32-F37 HydrophobicContact CB-CD2 4.02Å; P32-F37 HydrophobicContact CB-CE2 3.71Å; P32-F37 HydrophobicContact CB-CZ 4.4Å; P32-F37 WeakPolarHBondContact O-CD2 3.08Å; P32-F37 PolarHBondContact O-N 3.24Å; P32-Y53 HydrophobicContact CG-CD1 3.99Å; P32-Y53 HydrophobicContact CG-CE1 3.72Å; P32-Y54 HydrophobicContact CB-CE2 4.46Å; P32-Y54 VanDerWaalsContact CB-OH 3.3Å; P32-Y54 WeakPolarHBondContact CB-OH 3.15Å; P32-Y54 HydrophobicContact CG-CE1 4.17Å; P32-Y54 HydrophobicContact CG-CE2 4.43Å; P32-Y54 WeakPolarHBondContact CG-OH 3.46Å
33K91.8Very high92.9Very high156 Ų15653.7 Ų53.768%0.67827%0.271SS*.Iπ-helixtrans-68.6-39.3-177.7-174.1177.3178.7-178.60112.9V29 F30 I31 P38V29-K33 WeakPolarHBondContact O-CB 3.49Å; V29-K33 PolarHBondContact O-N 3.19Å; F30-K33 PolarHBondContact O-N 3.07Å; I31-K33 VanDerWaalsContact C-N 3.35Å; I31-K33 PolarHBondContact O-N 3.23Å; K33-P38 WeakPolarHBondContact O-CD 3.47Å; K33-P38 WeakPolarHBondContact O-CG 3.42Å
34V89.1Confident92.6Very high23 Ų2358.3 Ų58.314%0.13929%0.291CS..Iπ-helixtrans-90.5-37-175.2171.60000112.1F30 E176 L180F30-V34 HydrophobicContact CD2-CG2 3.86Å; F30-V34 HydrophobicContact CE1-CB 4.5Å; F30-V34 HydrophobicContact CE1-CG2 4.37Å; F30-V34 HydrophobicContact CE2-CB 4.35Å; F30-V34 HydrophobicContact CE2-CG2 3.4Å; F30-V34 VanDerWaalsContact CE2-CG2 3.4Å; F30-V34 HydrophobicContact CG-CG2 4.48Å; F30-V34 HydrophobicContact CZ-CB 4.18Å; F30-V34 HydrophobicContact CZ-CG1 4.23Å; F30-V34 HydrophobicContact CZ-CG2 3.67Å; F30-V34 WeakPolarHBondContact O-CB 3.12Å; F30-V34 PolarHBondContact O-N 2.71Å; V34-E176 HydrophobicContact CG1-CG 3.64Å; V34-E176 VanDerWaalsContact CG1-OE1 3.26Å; V34-E176 WeakPolarHBondContact CG1-OE1 3.38Å; V34-L180 HydrophobicContact CG1-CD2 4.4Å
35I91Very high92.3Very high0 Ų056.4 Ų56.40%029%0.285CS..Iπ-helixtrans-109.4-61-174-50.9-179.5000110.7I31 H39 I45 L152 H156 L180I31-I35 HydrophobicContact CD1-CD1 4.11Å; I31-I35 HydrophobicContact CG2-CD1 4.35Å; I31-I35 WeakPolarHBondContact O-CA 3.29Å; I31-I35 WeakPolarHBondContact O-CB 3.45Å; I31-I35 PolarHBondContact O-N 3.04Å; I35-H39 VanDerWaalsContact O-CB 3.32Å; I35-H39 WeakPolarHBondContact O-CB 3.5Å; I35-H39 PolarHBondContact O-CD2 2.78Å; I35-H39 PolarHBondContact O-N 3.13Å; I35-I45 HydrophobicContact CG2-CD1 4.46Å; I35-L152 HydrophobicContact CD1-CB 4.05Å; I35-L152 HydrophobicContact CG2-CB 4.34Å; I35-L152 HydrophobicContact CG2-CD2 4.32Å; I35-H156 HydrophobicContact CD1-CB 3.81Å; I35-H156 HydrophobicContact CG1-CB 3.98Å; I35-H156 HydrophobicContact CG2-CB 4.06Å; I35-L180 HydrophobicContact CD1-CD2 3.78Å; I35-L180 HydrophobicContact CG1-CD2 4.26Å
36L93.1Very high92.3Very high0 Ų055.4 Ų55.40%029%0.286CS..Iπ-helixtrans-69.1-48-164.3-61.8172.4000114.2I31 P32 Y40 I45 I50 Y53 L152I31-L36 PolarHBondContact O-N 2.76Å; P32-L36 HydrophobicContact CB-CB 4.36Å; P32-L36 HydrophobicContact CB-CD1 4.12Å; P32-L36 HydrophobicContact CG-CD1 4.05Å; P32-L36 PolarHBondContact O-N 3.46Å; L36-Y40 WeakPolarHBondContact O-CB 3.37Å; L36-Y40 PolarHBondContact O-N 3Å; L36-I45 HydrophobicContact CD2-CD1 3.99Å; L36-I45 HydrophobicContact CD2-CG2 4.33Å; L36-I50 HydrophobicContact CB-CD1 4.15Å; L36-I50 HydrophobicContact CB-CG1 4.05Å; L36-Y53 HydrophobicContact CD1-CD1 3.78Å; L36-Y53 HydrophobicContact CD1-CD2 4.3Å; L36-Y53 HydrophobicContact CD1-CE1 4.49Å; L36-Y53 HydrophobicContact CD1-CG 3.69Å; L36-L152 HydrophobicContact CD1-CD1 4.44Å; L36-L152 HydrophobicContact CD2-CD1 3.78Å; L36-L152 HydrophobicContact CD2-CD2 3.8Å; L36-L152 HydrophobicContact CD2-CG 4.47Å; L36-L152 HydrophobicContact CG-CD1 4.24Å
37F93.3Very high92.3Very high88 Ų8855.6 Ų55.639%0.38630%0.296SS..Hα-helixtrans-70-47.2-176.2-67-55.7000113.1P32 H39 Y40 E41 I50 Y54P32-F37 HydrophobicContact CB-CD2 4.02Å; P32-F37 HydrophobicContact CB-CE2 3.71Å; P32-F37 HydrophobicContact CB-CZ 4.4Å; P32-F37 WeakPolarHBondContact O-CD2 3.08Å; P32-F37 PolarHBondContact O-N 3.24Å; F37-H39 VanDerWaalsContact C-N 3.34Å; F37-H39 PolarHBondContact O-N 3.2Å; F37-Y40 WeakPolarHBondContact O-CB 3.47Å; F37-Y40 PolarHBondContact O-N 3.39Å; F37-Y40 VanDerWaalsContact O-N 3.14Å; F37-E41 WeakPolarHBondContact O-CG 3.24Å; F37-E41 PolarHBondContact O-N 3.27Å; F37-I50 HydrophobicContact CD1-CD1 3.89Å; F37-I50 HydrophobicContact CE1-CD1 4.1Å; F37-I50 HydrophobicContact CE1-CG2 4.09Å; F37-I50 HydrophobicContact CZ-CG2 4.48Å; F37-Y54 HydrophobicContact CZ-CE2 4.22Å
38P91.2Very high92.4Very high42 Ų4259.5 Ų59.527%0.27332%0.32SS..Hα-helixtrans-58.2-46.6176.3-25.836.5000112.1K33 Y40 E41 E42K33-P38 WeakPolarHBondContact O-CD 3.47Å; K33-P38 WeakPolarHBondContact O-CG 3.42Å; P38-Y40 PolarHBondContact O-N 3.13Å; P38-E41 PolarHBondContact O-N 3.18Å; P38-E41 VanDerWaalsContact O-N 3.15Å; P38-E42 WeakPolarHBondContact O-CG 3.2Å; P38-E42 PolarHBondContact O-N 3.48Å
39H88.9Confident92.4Very high7 Ų759.8 Ų59.83%0.03232%0.324CS..Hα-helixtrans-72.5-17.3-180-73.8-59.9000113.9I35 F37 E42 G43 H44 I45 H156 F160I35-H39 VanDerWaalsContact O-CB 3.32Å; I35-H39 WeakPolarHBondContact O-CB 3.5Å; I35-H39 PolarHBondContact O-CD2 2.78Å; I35-H39 PolarHBondContact O-N 3.13Å; F37-H39 VanDerWaalsContact C-N 3.34Å; F37-H39 PolarHBondContact O-N 3.2Å; H39-E42 IonicContact CE1-OE2 3.46Å; H39-E42 PolarHBondContact CE1-OE2 2.88Å; H39-E42 VanDerWaalsContact CE1-OE2 3.28Å; H39-E42 IonicContact ND1-OE2 3.9Å; H39-E42 PolarHBondContact ND1-OE2 2.86Å; H39-G43 PolarHBondContact O-N 2.86Å; H39-H44 HydrophobicContact CB-CB 4.26Å; H39-H44 AromaticContact ND1-CD2 3.77Å; H39-H44 WeakPolarHBondContact O-CA 3.37Å; H39-H44 PolarHBondContact O-N 3.28Å; H39-I45 HydrophobicContact CB-CB 4.26Å; H39-I45 HydrophobicContact CB-CD1 3.57Å; H39-I45 HydrophobicContact CB-CG1 3.74Å; H39-I45 PolarHBondContact O-N 3.46Å; H39-H156 AromaticContact CD2-ND1 3.94Å; H39-H156 AromaticContact NE2-ND1 3.61Å; H39-F160 AromaticContact CD2-CD2 3.84Å; H39-F160 WeakPolarHBondContact CE1-CB 3.47Å; H39-F160 AromaticContact CE1-CG 3.65Å; H39-F160 AromaticContact CG-CD2 3.84Å; H39-F160 AromaticContact CG-CG 3.93Å; H39-F160 AromaticContact ND1-CD1 3.72Å; H39-F160 AromaticContact ND1-CG 3.6Å; H39-F160 WeakPolarHBondContact NE2-CB 3.42Å; H39-F160 AromaticContact NE2-CG 3.86Å
40Y92.9Very high92.5Very high115 Ų11556.3 Ų56.345%0.45130%0.302SS..Hα-helixtrans-76.4-42.2168.6170-101.6000111.8L36 F37 P38 E42 G43 I45 A47 I50L36-Y40 WeakPolarHBondContact O-CB 3.37Å; L36-Y40 PolarHBondContact O-N 3Å; F37-Y40 WeakPolarHBondContact O-CB 3.47Å; F37-Y40 PolarHBondContact O-N 3.39Å; F37-Y40 VanDerWaalsContact O-N 3.14Å; P38-Y40 PolarHBondContact O-N 3.13Å; Y40-E42 VanDerWaalsContact C-N 3.29Å; Y40-E42 PolarHBondContact O-N 3.28Å; Y40-G43 PolarHBondContact O-N 3.15Å; Y40-I45 WeakPolarHBondContact CD2-O 3.19Å; Y40-A47 HydrophobicContact CD2-CB 4.43Å; Y40-A47 HydrophobicContact CE2-CB 3.72Å; Y40-I50 HydrophobicContact CD1-CD1 4.48Å; Y40-I50 HydrophobicContact CD2-CD1 4.28Å; Y40-I50 HydrophobicContact CG-CD1 3.91Å
41E91.3Very high92.7Very high167 Ų16759.9 Ų59.978%0.7832%0.322SS*.Hα-helixtrans-63.7-35.6175.3-69.5178.3-17700111.8F37 P38 G43F37-E41 WeakPolarHBondContact O-CG 3.24Å; F37-E41 PolarHBondContact O-N 3.27Å; P38-E41 PolarHBondContact O-N 3.18Å; P38-E41 VanDerWaalsContact O-N 3.15Å; E41-G43 PolarHBondContact O-N 2.73Å
42E88.4Confident92.9Very high115 Ų11562.5 Ų62.554%0.53734%0.339SS..THydrogen-bonded Turntrans-75.1-10.8173.5-67.1173.4-164.500113.5P38 H39 Y40 H44P38-E42 WeakPolarHBondContact O-CG 3.2Å; P38-E42 PolarHBondContact O-N 3.48Å; H39-E42 IonicContact CE1-OE2 3.46Å; H39-E42 PolarHBondContact CE1-OE2 2.88Å; H39-E42 VanDerWaalsContact CE1-OE2 3.28Å; H39-E42 IonicContact ND1-OE2 3.9Å; H39-E42 PolarHBondContact ND1-OE2 2.86Å; Y40-E42 VanDerWaalsContact C-N 3.29Å; Y40-E42 PolarHBondContact O-N 3.28Å; E42-H44 IonicContact OE2-CD2 2.67Å; E42-H44 PolarHBondContact OE2-CD2 3.35Å; E42-H44 IonicContact OE2-NE2 3.2Å
43G89.6Confident93.1Very high61 Ų6162.5 Ų62.563%0.62934%0.339SS*.THydrogen-bonded Turntrans80.99.5179.500000115.3H39 Y40 E41H39-G43 PolarHBondContact O-N 2.86Å; Y40-G43 PolarHBondContact O-N 3.15Å; E41-G43 PolarHBondContact O-N 2.73Å
44H88.8Confident93.4Very high121 Ų12159.2 Ų59.256%0.5632%0.323SS*.SBendtrans-79.2-28.9176.8-67.7-45.9000113.4H39 E42 F160H39-H44 HydrophobicContact CB-CB 4.26Å; H39-H44 AromaticContact ND1-CD2 3.77Å; H39-H44 WeakPolarHBondContact O-CA 3.37Å; H39-H44 PolarHBondContact O-N 3.28Å; E42-H44 IonicContact OE2-CD2 2.67Å; E42-H44 PolarHBondContact OE2-CD2 3.35Å; E42-H44 IonicContact OE2-NE2 3.2Å; H44-F160 HydrophobicContact CB-CD1 4.5Å; H44-F160 HydrophobicContact CB-CE1 3.83Å; H44-F160 HydrophobicContact CB-CZ 4.31Å
45I92.4Very high93.8Very high21 Ų2163.5 Ų63.511%0.10834%0.34CS..SBendtrans-116.9140.2179.7-66.6-177.4000109.8I35 L36 H39 Y40 A49 I50 F160I35-I45 HydrophobicContact CG2-CD1 4.46Å; L36-I45 HydrophobicContact CD2-CD1 3.99Å; L36-I45 HydrophobicContact CD2-CG2 4.33Å; H39-I45 HydrophobicContact CB-CB 4.26Å; H39-I45 HydrophobicContact CB-CD1 3.57Å; H39-I45 HydrophobicContact CB-CG1 3.74Å; H39-I45 PolarHBondContact O-N 3.46Å; Y40-I45 WeakPolarHBondContact CD2-O 3.19Å; I45-A49 HydrophobicContact CG2-CB 3.72Å; I45-I50 HydrophobicContact CG2-CG1 4.32Å; I45-F160 HydrophobicContact CD1-CE2 4.25Å; I45-F160 HydrophobicContact CG1-CZ 4.42Å
46S95.6Very high94.1Very high68 Ų6864.7 Ų64.748%0.47635%0.348SS..  trans-84.7153175.467.70000112.1V48 A49 I50S46-V48 PolarHBondContact O-N 3.43Å; S46-V48 VanDerWaalsContact O-N 3.14Å; S46-A49 WeakPolarHBondContact O-CB 3.1Å; S46-A49 PolarHBondContact O-N 3.19Å; S46-A49 PolarHBondContact OG-N 2.89Å; S46-I50 PolarHBondContact O-N 3.31Å
47A96Very high94.3Very high44 Ų4464.8 Ų64.836%0.36435%0.349SS..Hα-helixtrans-56.5-30.6172.700000112.4Y40 A49 I50 L51Y40-A47 HydrophobicContact CD2-CB 4.43Å; Y40-A47 HydrophobicContact CE2-CB 3.72Å; A47-A49 VanDerWaalsContact C-N 3.33Å; A47-A49 PolarHBondContact O-N 3.4Å; A47-I50 PolarHBondContact O-N 2.73Å; A47-L51 WeakPolarHBondContact O-CG 3.22Å; A47-L51 PolarHBondContact O-N 3.39Å
48V96.8Very high94.4Very high96 Ų9664.7 Ų64.758%0.58235%0.352SS*.Hα-helixtrans-61.2-41.2176.5178.60000111.2S46 I50 L51 C52S46-V48 PolarHBondContact O-N 3.43Å; S46-V48 VanDerWaalsContact O-N 3.14Å; V48-I50 VanDerWaalsContact C-N 3.35Å; V48-I50 PolarHBondContact O-N 2.98Å; V48-L51 PolarHBondContact O-N 2.72Å; V48-C52 WeakPolarHBondContact O-CB 3.46Å; V48-C52 PolarHBondContact O-N 2.94Å; V48-C52 PolarHBondContact O-SG 3.11Å
49A95.6Very high94.7Very high21 Ų2165.2 Ų65.217%0.17435%0.35CS..Hα-helixtrans-63.1-41.1177.200000111.8I45 S46 A47 C52 Y53 Y148I45-A49 HydrophobicContact CG2-CB 3.72Å; S46-A49 WeakPolarHBondContact O-CB 3.1Å; S46-A49 PolarHBondContact O-N 3.19Å; S46-A49 PolarHBondContact OG-N 2.89Å; A47-A49 VanDerWaalsContact C-N 3.33Å; A47-A49 PolarHBondContact O-N 3.4Å; A49-C52 PolarHBondContact O-N 3.32Å; A49-Y53 PolarHBondContact O-N 2.83Å; A49-Y148 WeakPolarHBondContact CA-OH 3.44Å; A49-Y148 PolarHBondContact O-OH 3.48Å
50I96.8Very high95.1Very high14 Ų1465.5 Ų65.57%0.07235%0.353CS..Hα-helixtrans-62.1-47.3176.1-52.5-165.6000110.9L36 F37 Y40 I45 S46 A47 V48 C52 Y53 Y54L36-I50 HydrophobicContact CB-CD1 4.15Å; L36-I50 HydrophobicContact CB-CG1 4.05Å; F37-I50 HydrophobicContact CD1-CD1 3.89Å; F37-I50 HydrophobicContact CE1-CD1 4.1Å; F37-I50 HydrophobicContact CE1-CG2 4.09Å; F37-I50 HydrophobicContact CZ-CG2 4.48Å; Y40-I50 HydrophobicContact CD1-CD1 4.48Å; Y40-I50 HydrophobicContact CD2-CD1 4.28Å; Y40-I50 HydrophobicContact CG-CD1 3.91Å; I45-I50 HydrophobicContact CG2-CG1 4.32Å; S46-I50 PolarHBondContact O-N 3.31Å; A47-I50 PolarHBondContact O-N 2.73Å; V48-I50 VanDerWaalsContact C-N 3.35Å; V48-I50 PolarHBondContact O-N 2.98Å; I50-C52 PolarHBondContact O-N 2.79Å; I50-Y53 WeakPolarHBondContact O-CB 3.41Å; I50-Y53 PolarHBondContact O-N 3.07Å; I50-Y54 HydrophobicContact CG2-CD2 3.86Å; I50-Y54 HydrophobicContact CG2-CE2 3.71Å; I50-Y54 WeakPolarHBondContact O-CD2 3.27Å; I50-Y54 PolarHBondContact O-N 3.37Å; I50-Y54 VanDerWaalsContact O-N 3.08Å
51L97.5Very high95.2Very high99 Ų9961.1 Ų61.152%0.51834%0.337SS..Hα-helixtrans-60.6-45.3177.1-69.3174.1000111.3A47 V48 Y53 Y54 F55A47-L51 WeakPolarHBondContact O-CG 3.22Å; A47-L51 PolarHBondContact O-N 3.39Å; V48-L51 PolarHBondContact O-N 2.72Å; L51-Y53 VanDerWaalsContact C-N 3.32Å; L51-Y53 PolarHBondContact O-N 2.7Å; L51-Y54 PolarHBondContact O-N 3.45Å; L51-F55 HydrophobicContact CB-CD2 4.35Å; L51-F55 HydrophobicContact CB-CE2 4.19Å; L51-F55 WeakPolarHBondContact O-CD2 3.11Å; L51-F55 PolarHBondContact O-N 3.41Å
52C97.4Very high95.5Very high54 Ų5453.7 Ų53.737%0.36530%0.304SS..Hα-helixtrans-57.2-44.3175.6-74.40000111.9V48 A49 I50 F55 C56 Y148V48-C52 WeakPolarHBondContact O-CB 3.46Å; V48-C52 PolarHBondContact O-N 2.94Å; V48-C52 PolarHBondContact O-SG 3.11Å; A49-C52 PolarHBondContact O-N 3.32Å; I50-C52 PolarHBondContact O-N 2.79Å; C52-F55 PolarHBondContact O-N 2.86Å; C52-C56 WeakPolarHBondContact O-CB 3.37Å; C52-C56 PolarHBondContact O-N 3.32Å; C52-C56 PolarHBondContact O-SG 3.36Å; C52-Y148 HydrophobicContact CB-CE1 4.16Å
53Y97.8Very high95.8Very high0 Ų048.3 Ų48.30%028%0.279CS..Hα-helixtrans-59.4-48.2177-177.2-93.3000111.8N27 I31 P32 L36 A49 I50 L51 F55 C56 S57 L145 Y148 L152N27-Y53 PolarHBondContact O-OH 3.48Å; N27-Y53 VanDerWaalsContact O-OH 3.1Å; I31-Y53 HydrophobicContact CG2-CE2 4Å; P32-Y53 HydrophobicContact CG-CD1 3.99Å; P32-Y53 HydrophobicContact CG-CE1 3.72Å; L36-Y53 HydrophobicContact CD1-CD1 3.78Å; L36-Y53 HydrophobicContact CD1-CD2 4.3Å; L36-Y53 HydrophobicContact CD1-CE1 4.49Å; L36-Y53 HydrophobicContact CD1-CG 3.69Å; A49-Y53 PolarHBondContact O-N 2.83Å; I50-Y53 WeakPolarHBondContact O-CB 3.41Å; I50-Y53 PolarHBondContact O-N 3.07Å; L51-Y53 VanDerWaalsContact C-N 3.32Å; L51-Y53 PolarHBondContact O-N 2.7Å; Y53-F55 PolarHBondContact O-N 2.85Å; Y53-C56 PolarHBondContact O-N 3.5Å; Y53-S57 WeakPolarHBondContact O-CB 3.11Å; Y53-S57 PolarHBondContact O-N 3.08Å; Y53-L145 HydrophobicContact CD2-CD1 4.38Å; Y53-L145 HydrophobicContact CE2-CD1 3.94Å; Y53-Y148 HydrophobicContact CD2-CD1 4.21Å; Y53-Y148 HydrophobicContact CD2-CD2 4.44Å; Y53-Y148 HydrophobicContact CD2-CE1 4.42Å; Y53-Y148 HydrophobicContact CD2-CG 4.22Å; Y53-L152 HydrophobicContact CD2-CD1 3.9Å; Y53-L152 HydrophobicContact CE2-CD1 4.1Å
54Y97.9Very high96.1Very high88 Ų8846 Ų4635%0.34525%0.252SS..Hα-helixtrans-66.6-35.1177.5-77.9-62.2000113.1T28 P32 F37 I50 L51 S57 L58T28-Y54 HydrophobicContact CG2-CD1 4.36Å; T28-Y54 HydrophobicContact CG2-CE1 4.1Å; P32-Y54 HydrophobicContact CB-CE2 4.46Å; P32-Y54 VanDerWaalsContact CB-OH 3.3Å; P32-Y54 WeakPolarHBondContact CB-OH 3.15Å; P32-Y54 HydrophobicContact CG-CE1 4.17Å; P32-Y54 HydrophobicContact CG-CE2 4.43Å; P32-Y54 WeakPolarHBondContact CG-OH 3.46Å; F37-Y54 HydrophobicContact CZ-CE2 4.22Å; I50-Y54 HydrophobicContact CG2-CD2 3.86Å; I50-Y54 HydrophobicContact CG2-CE2 3.71Å; I50-Y54 WeakPolarHBondContact O-CD2 3.27Å; I50-Y54 PolarHBondContact O-N 3.37Å; I50-Y54 VanDerWaalsContact O-N 3.08Å; L51-Y54 PolarHBondContact O-N 3.45Å; Y54-S57 PolarHBondContact O-N 2.92Å; Y54-L58 VanDerWaalsContact O-CB 3.29Å; Y54-L58 WeakPolarHBondContact O-CB 3.47Å; Y54-L58 PolarHBondContact O-N 3.02Å
55F97Very high96.4Very high113 Ų11344.3 Ų44.350%0.49625%0.247SC..Hα-helixtrans-65-43.7172.6-77.2-57.7000111.9L51 C52 Y53 S57 L58 F59L51-F55 HydrophobicContact CB-CD2 4.35Å; L51-F55 HydrophobicContact CB-CE2 4.19Å; L51-F55 WeakPolarHBondContact O-CD2 3.11Å; L51-F55 PolarHBondContact O-N 3.41Å; C52-F55 PolarHBondContact O-N 2.86Å; Y53-F55 PolarHBondContact O-N 2.85Å; F55-S57 VanDerWaalsContact C-N 3.33Å; F55-S57 PolarHBondContact O-N 3.28Å; F55-L58 PolarHBondContact O-N 2.93Å; F55-F59 WeakPolarHBondContact O-CB 3.34Å; F55-F59 VanDerWaalsContact O-CG 3.24Å; F55-F59 WeakPolarHBondContact O-CG 3.25Å; F55-F59 PolarHBondContact O-N 2.86Å
56C96.9Very high96.5Very high24 Ų2445.9 Ų45.916%0.16225%0.251CS..Hα-helixtrans-60.4-43.8173.7-70.50000111.4C52 Y53 F59 C60 I144 L145C52-C56 WeakPolarHBondContact O-CB 3.37Å; C52-C56 PolarHBondContact O-N 3.32Å; C52-C56 PolarHBondContact O-SG 3.36Å; Y53-C56 PolarHBondContact O-N 3.5Å; C56-F59 PolarHBondContact O-N 3.49Å; C56-C60 WeakPolarHBondContact O-CB 3.3Å; C56-C60 PolarHBondContact O-N 2.94Å; C56-I144 HydrophobicContact CB-CG2 4.39Å; C56-L145 HydrophobicContact CB-CD1 4.19Å
57S97.6Very high96.5Very high2 Ų242.6 Ų42.61%0.01423%0.229CC..Hα-helixtrans-61.6-45.9175.9177.10000111.9W24 T28 Y53 Y54 F55 F59 C60 I61W24-S57 PolarHBondContact NE1-O 3.24Å; W24-S57 PolarHBondContact NE1-OG 2.96Å; T28-S57 PolarHBondContact OG1-OG 3.49Å; Y53-S57 WeakPolarHBondContact O-CB 3.11Å; Y53-S57 PolarHBondContact O-N 3.08Å; Y54-S57 PolarHBondContact O-N 2.92Å; F55-S57 VanDerWaalsContact C-N 3.33Å; F55-S57 PolarHBondContact O-N 3.28Å; S57-F59 PolarHBondContact O-N 3.18Å; S57-C60 WeakPolarHBondContact O-CB 3.47Å; S57-C60 PolarHBondContact O-N 2.94Å; S57-I61 PolarHBondContact O-N 3.34Å
58L96.9Very high96.4Very high86 Ų8641.3 Ų41.345%0.4522%0.217SC..Hα-helixtrans-61.1-45.1176.8178.362.5000111.9Y54 F55 C60 I61 A62Y54-L58 VanDerWaalsContact O-CB 3.29Å; Y54-L58 WeakPolarHBondContact O-CB 3.47Å; Y54-L58 PolarHBondContact O-N 3.02Å; F55-L58 PolarHBondContact O-N 2.93Å; L58-C60 VanDerWaalsContact C-N 3.33Å; L58-C60 PolarHBondContact O-N 3.38Å; L58-I61 HydrophobicContact CD1-CG2 4.48Å; L58-I61 VanDerWaalsContact O-CG2 3.3Å; L58-I61 WeakPolarHBondContact O-CG2 3.37Å; L58-I61 PolarHBondContact O-N 2.89Å; L58-A62 WeakPolarHBondContact O-CB 3.47Å; L58-A62 PolarHBondContact O-N 3.23Å
59F96.6Very high96.3Very high54 Ų5439.1 Ų39.124%0.23720%0.203CC..Hα-helixtrans-67.8-34.6178.9-65.5-15.7000112.1F55 C56 S57 S63 Y141 P248 F249F55-F59 WeakPolarHBondContact O-CB 3.34Å; F55-F59 VanDerWaalsContact O-CG 3.24Å; F55-F59 WeakPolarHBondContact O-CG 3.25Å; F55-F59 PolarHBondContact O-N 2.86Å; C56-F59 PolarHBondContact O-N 3.49Å; S57-F59 PolarHBondContact O-N 3.18Å; F59-S63 VanDerWaalsContact O-CB 3.31Å; F59-S63 WeakPolarHBondContact O-CB 3.48Å; F59-S63 PolarHBondContact O-N 3.11Å; F59-S63 PolarHBondContact O-OG 3.33Å; F59-Y141 HydrophobicContact CB-CD1 3.77Å; F59-Y141 HydrophobicContact CB-CD2 4.18Å; F59-Y141 HydrophobicContact CB-CE1 3.9Å; F59-Y141 HydrophobicContact CB-CE2 4.28Å; F59-Y141 HydrophobicContact CB-CG 3.92Å; F59-Y141 HydrophobicContact CD2-CD1 4.31Å; F59-Y141 AromaticContact CD2-CE1 3.79Å; F59-Y141 HydrophobicContact CD2-CE1 3.79Å; F59-Y141 HydrophobicContact CG-CE1 4.23Å; F59-P248 HydrophobicContact CD1-CB 3.98Å; F59-P248 HydrophobicContact CD1-CG 3.72Å; F59-P248 HydrophobicContact CD2-CG 4.27Å; F59-P248 HydrophobicContact CE1-CB 4.24Å; F59-P248 HydrophobicContact CE1-CG 3.52Å; F59-P248 HydrophobicContact CE2-CG 4.08Å; F59-P248 HydrophobicContact CG-CB 4.32Å; F59-P248 HydrophobicContact CG-CG 4.11Å; F59-P248 HydrophobicContact CZ-CG 3.71Å; F59-F249 HydrophobicContact CD1-CE2 4.23Å; F59-F249 HydrophobicContact CE1-CE2 4.13Å
60C96.8Very high96.2Very high13 Ų1339.1 Ų39.19%0.08820%0.203CC..Hα-helixtrans-62.2-52.9173.2-171.10000111.6C56 S57 L58 A62 S63 L64 L145C56-C60 WeakPolarHBondContact O-CB 3.3Å; C56-C60 PolarHBondContact O-N 2.94Å; S57-C60 WeakPolarHBondContact O-CB 3.47Å; S57-C60 PolarHBondContact O-N 2.94Å; L58-C60 VanDerWaalsContact C-N 3.33Å; L58-C60 PolarHBondContact O-N 3.38Å; C60-A62 PolarHBondContact O-N 2.87Å; C60-S63 PolarHBondContact O-N 3.48Å; C60-S63 PolarHBondContact O-OG 3.44Å; C60-L64 PolarHBondContact O-N 3.04Å; C60-L145 HydrophobicContact CB-CD2 3.82Å
61I96.5Very high96Very high23 Ų2341 Ų4112%0.11821%0.213CC..Hα-helixtrans-67.7-37.3180-16958.2000112.1W24 S57 L58 S63 L64 L65W24-I61 HydrophobicContact CD2-CB 4.22Å; W24-I61 HydrophobicContact CD2-CD1 4.26Å; W24-I61 HydrophobicContact CD2-CG1 4.36Å; W24-I61 HydrophobicContact CE3-CD1 4.28Å; W24-I61 HydrophobicContact CE3-CG1 4.44Å; W24-I61 HydrophobicContact CH2-CB 4.33Å; W24-I61 HydrophobicContact CH2-CG1 4.21Å; W24-I61 HydrophobicContact CH2-CG2 4.25Å; W24-I61 HydrophobicContact CZ2-CB 3.74Å; W24-I61 HydrophobicContact CZ2-CG1 4.11Å; W24-I61 HydrophobicContact CZ2-CG2 3.62Å; W24-I61 HydrophobicContact CZ3-CG1 4.37Å; S57-I61 PolarHBondContact O-N 3.34Å; L58-I61 HydrophobicContact CD1-CG2 4.48Å; L58-I61 VanDerWaalsContact O-CG2 3.3Å; L58-I61 WeakPolarHBondContact O-CG2 3.37Å; L58-I61 PolarHBondContact O-N 2.89Å; I61-S63 PolarHBondContact O-N 2.67Å; I61-L64 HydrophobicContact CD1-CD2 4.01Å; I61-L64 PolarHBondContact O-N 3.16Å; I61-L65 HydrophobicContact CD1-CG 4.44Å; I61-L65 HydrophobicContact CG1-CD1 4.26Å; I61-L65 HydrophobicContact CG1-CG 4.42Å; I61-L65 VanDerWaalsContact O-CG 3.3Å; I61-L65 WeakPolarHBondContact O-CG 3.48Å; I61-L65 PolarHBondContact O-N 2.82Å
62A95.9Very high95.9Very high10 Ų1036.2 Ų36.28%0.08319%0.189CC..Hα-helixtrans-62.9-43.5175.800000112.2L58 C60 R66 F249L58-A62 WeakPolarHBondContact O-CB 3.47Å; L58-A62 PolarHBondContact O-N 3.23Å; C60-A62 PolarHBondContact O-N 2.87Å; A62-R66 WeakPolarHBondContact O-CB 3.36Å; A62-R66 WeakPolarHBondContact O-CD 3.03Å; A62-R66 WeakPolarHBondContact O-CG 3.38Å; A62-R66 PolarHBondContact O-N 3.2Å; A62-F249 HydrophobicContact CB-CE1 3.47Å; A62-F249 VanDerWaalsContact CB-CE1 3.47Å; A62-F249 HydrophobicContact CB-CZ 3.54Å
63S95.9Very high95.6Very high3 Ų333.7 Ų33.72%0.02117%0.172CC..Hα-helixtrans-66.7-37.2176.850.90000112F59 C60 I61 R66 A67 L138F59-S63 VanDerWaalsContact O-CB 3.31Å; F59-S63 WeakPolarHBondContact O-CB 3.48Å; F59-S63 PolarHBondContact O-N 3.11Å; F59-S63 PolarHBondContact O-OG 3.33Å; C60-S63 PolarHBondContact O-N 3.48Å; C60-S63 PolarHBondContact O-OG 3.44Å; I61-S63 PolarHBondContact O-N 2.67Å; S63-R66 PolarHBondContact O-N 2.93Å; S63-A67 WeakPolarHBondContact O-CB 3.47Å; S63-A67 PolarHBondContact O-N 3.09Å; S63-L138 WeakPolarHBondContact OG-CA 3.5Å
64L96Very high95.3Very high11 Ų1138.1 Ų38.16%0.05819%0.191CC..Hα-helixtrans-59.8-54.7173.2175.960000111.6M17 I20 I21 C60 I61 R66 A67 S68 I123 L138M17-L64 HydrophobicContact CE-CD1 4.24Å; M17-L64 HydrophobicContact CE-CD2 4.38Å; M17-L64 HydrophobicContact CE-CG 4.2Å; M17-L64 HydrophobicContact SD-CD1 3.86Å; M17-L64 HydrophobicContact SD-CG 4.43Å; I20-L64 HydrophobicContact CD1-CD1 3.45Å; I20-L64 VanDerWaalsContact CD1-CD1 3.45Å; I20-L64 HydrophobicContact CD1-CD2 3.41Å; I20-L64 VanDerWaalsContact CD1-CD2 3.41Å; I20-L64 HydrophobicContact CD1-CG 4.06Å; I20-L64 HydrophobicContact CG1-CD2 3.92Å; I21-L64 HydrophobicContact CG1-CD2 4.21Å; C60-L64 PolarHBondContact O-N 3.04Å; I61-L64 HydrophobicContact CD1-CD2 4.01Å; I61-L64 PolarHBondContact O-N 3.16Å; L64-R66 VanDerWaalsContact C-N 3.29Å; L64-R66 PolarHBondContact O-N 3.06Å; L64-A67 PolarHBondContact O-N 3.14Å; L64-S68 WeakPolarHBondContact O-CB 3.27Å; L64-S68 PolarHBondContact O-N 3.48Å; L64-S68 PolarHBondContact O-OG 3.23Å; L64-I123 HydrophobicContact CD1-CG2 4.02Å; L64-L138 HydrophobicContact CB-CD1 3.8Å; L64-L138 HydrophobicContact CD1-CD1 4.33Å; L64-L138 HydrophobicContact CD1-CD2 3.9Å
65L95Very high95Very high87 Ų8734.4 Ų34.446%0.45518%0.177SC..Hα-helixtrans-57.8-45.6-179-69.7174.2000110.6I61 S68 V69I61-L65 HydrophobicContact CD1-CG 4.44Å; I61-L65 HydrophobicContact CG1-CD1 4.26Å; I61-L65 HydrophobicContact CG1-CG 4.42Å; I61-L65 VanDerWaalsContact O-CG 3.3Å; I61-L65 WeakPolarHBondContact O-CG 3.48Å; I61-L65 PolarHBondContact O-N 2.82Å; L65-S68 WeakPolarHBondContact CA-OG 3.4Å; L65-S68 PolarHBondContact O-N 2.92Å; L65-S68 PolarHBondContact O-OG 3.45Å; L65-V69 WeakPolarHBondContact O-CG2 3.35Å; L65-V69 PolarHBondContact O-N 3.32Å
66R94.4Very high94.6Very high53 Ų5332.4 Ų32.420%0.218%0.175CC..Hα-helixtrans-63.3-44179-69.2174.275.8-146.75.7112.8A62 S63 L64 S68 A70 W133 L134 R250A62-R66 WeakPolarHBondContact O-CB 3.36Å; A62-R66 WeakPolarHBondContact O-CD 3.03Å; A62-R66 WeakPolarHBondContact O-CG 3.38Å; A62-R66 PolarHBondContact O-N 3.2Å; S63-R66 PolarHBondContact O-N 2.93Å; L64-R66 VanDerWaalsContact C-N 3.29Å; L64-R66 PolarHBondContact O-N 3.06Å; R66-S68 VanDerWaalsContact C-N 3.28Å; R66-S68 PolarHBondContact O-N 3.43Å; R66-A70 WeakPolarHBondContact O-CB 3.14Å; R66-A70 PolarHBondContact O-N 3.47Å; R66-W133 VanDerWaalsContact NH2-CH2 3.3Å; R66-L134 HydrophobicContact CB-CD1 4.35Å; R66-L134 HydrophobicContact CB-CD2 4.1Å; R66-R250 PolarHBondContact NH2-O 3.31Å
67A95Very high93.7Very high0 Ų038.4 Ų38.40%020%0.201CC..Hα-helixtrans-63.6-37.1176.500000111.5S63 L64 I123 N125 L134 L138S63-A67 WeakPolarHBondContact O-CB 3.47Å; S63-A67 PolarHBondContact O-N 3.09Å; L64-A67 PolarHBondContact O-N 3.14Å; A67-I123 HydrophobicContact CB-CB 4.48Å; A67-I123 HydrophobicContact CB-CD1 4.28Å; A67-I123 HydrophobicContact CB-CG2 4.09Å; A67-N125 PolarHBondContact O-ND2 2.98Å; A67-L134 HydrophobicContact CB-CB 4.2Å; A67-L138 HydrophobicContact CB-CD2 4.36Å
68S95.1Very high92.9Very high16 Ų1645.3 Ų45.311%0.11224%0.238CC..Hα-helixtrans-69.9-37.2-179.670.80000114L64 L65 R66 I123 N125L64-S68 WeakPolarHBondContact O-CB 3.27Å; L64-S68 PolarHBondContact O-N 3.48Å; L64-S68 PolarHBondContact O-OG 3.23Å; L65-S68 WeakPolarHBondContact CA-OG 3.4Å; L65-S68 PolarHBondContact O-N 2.92Å; L65-S68 PolarHBondContact O-OG 3.45Å; R66-S68 VanDerWaalsContact C-N 3.28Å; R66-S68 PolarHBondContact O-N 3.43Å; S68-I123 WeakPolarHBondContact CA-O 3.42Å; S68-I123 WeakPolarHBondContact CB-O 3.34Å; S68-N125 PolarHBondContact O-ND2 3.32Å; S68-N125 VanDerWaalsContact O-ND2 3.15Å
69V93.8Very high92.1Very high50 Ų5042.5 Ų42.530%0.30323%0.225SC..Hα-helixtrans-99.3-8.8-175.1-54.60000114.5I5 H6 L65I5-V69 HydrophobicContact CG2-CB 4.28Å; I5-V69 HydrophobicContact CG2-CG1 4.49Å; H6-V69 PolarHBondContact N-O 2.88Å; L65-V69 WeakPolarHBondContact O-CG2 3.35Å; L65-V69 PolarHBondContact O-N 3.32Å
70A93.1Very high91.3Very high21 Ų2149.1 Ų49.117%0.17425%0.253CS..SBendtrans-72.2143.2-178.800000111.7R66 P72 N125 N131 L134R66-A70 WeakPolarHBondContact O-CB 3.14Å; R66-A70 PolarHBondContact O-N 3.47Å; A70-P72 WeakPolarHBondContact O-CD 3.4Å; A70-N125 PolarHBondContact O-ND2 3.45Å; A70-N131 HydrophobicContact CB-CB 3.79Å; A70-L134 HydrophobicContact CB-CD1 3.46Å; A70-L134 VanDerWaalsContact CB-CD1 3.46Å
71D93.4Very high90.5Very high53 Ų5350.9 Ų50.928%0.28326%0.261SS..  trans-60.9122.7168.1-168.2-28.3000109.1G73 K74 D130D71-G73 PolarHBondContact O-N 3.47Å; D71-G73 WeakPolarHBondContact OD1-CA 3.49Å; D71-G73 PolarHBondContact OD1-N 3.47Å; D71-K74 PolarHBondContact OD1-N 2.93Å; D71-D130 WeakPolarHBondContact O-CB 3.27Å
72P94Very high89.7Confident0 Ų052.2 Ų52.20%027%0.272CS..  trans-72-6.3177.931.8-37.9000113.3A70 V113 C126 G128 E129 D130A70-P72 WeakPolarHBondContact O-CD 3.4Å; P72-V113 HydrophobicContact CB-CG1 3.89Å; P72-V113 HydrophobicContact CB-CG2 4.45Å; P72-V113 HydrophobicContact CG-CG1 4.28Å; P72-V113 HydrophobicContact CG-CG2 4.02Å; P72-C126 HydrophobicContact CB-CB 3.78Å; P72-C126 WeakPolarHBondContact CB-O 3.41Å; P72-C126 HydrophobicContact CG-CB 4.02Å; P72-G128 CarbonylContact O-C 3.5Å; P72-G128 VanDerWaalsContact O-CA 3.29Å; P72-G128 WeakPolarHBondContact O-CA 3.37Å; P72-E129 PolarHBondContact O-N 3.3Å; P72-D130 PolarHBondContact O-N 3.01Å
73G92.1Very high88.8Confident1 Ų158.9 Ų58.91%0.0131%0.305CS..  trans103.945.4-171.400000111.3D71 L75 R114 D130D71-G73 PolarHBondContact O-N 3.47Å; D71-G73 WeakPolarHBondContact OD1-CA 3.49Å; D71-G73 PolarHBondContact OD1-N 3.47Å; G73-L75 PolarHBondContact O-N 3.36Å; G73-R114 WeakPolarHBondContact O-CG 3.47Å; G73-R114 PolarHBondContact O-N 3.44Å; G73-D130 WeakPolarHBondContact CA-OD2 3.47Å
74K92.4Very high88Confident93 Ų9364.4 Ų64.440%0.40434%0.339SS..BIsolated β-bridgetrans-56.1132175.9178.5176.6175.9-176.50110.3D71 H111D71-K74 PolarHBondContact OD1-N 2.93Å; K74-H111 HydrophobicContact CD-CB 4.14Å; K74-H111 HydrophobicContact CG-CB 4.13Å
75L90.6Very high87.2Confident9 Ų964.3 Ų64.35%0.04734%0.338CS..PPolyproline II helixtrans-73.8142.2174.6-77.1172.2000111.5G73 M97 R99 C112 R114G73-L75 PolarHBondContact O-N 3.36Å; L75-M97 HydrophobicContact CB-CE 3.85Å; L75-M97 HydrophobicContact CD1-CE 4.39Å; L75-R99 HydrophobicContact CD1-CB 3.57Å; L75-C112 HydrophobicContact CB-CB 4.35Å; L75-C112 HydrophobicContact CD1-CB 3.78Å; L75-C112 HydrophobicContact CG-CB 4.45Å; L75-C112 PolarHBondContact N-O 3.01Å; L75-R114 HydrophobicContact CD2-CG 3.48Å; L75-R114 VanDerWaalsContact CD2-CG 3.48Å; L75-R114 HydrophobicContact CG-CG 3.84Å
76P87.7Confident86.4Confident71 Ų7167.9 Ų67.946%0.46135%0.346SS..PPolyproline II helixtrans-71.8147.6173.331.3-34.8000111N78 P79 M97P76-N78 PolarHBondContact O-N 3.34Å; P76-N78 VanDerWaalsContact O-N 3.11Å; P76-P79 HydrophobicContact CG-CB 4.38Å; P76-P79 WeakPolarHBondContact O-CD 3.39Å; P76-M97 WeakPolarHBondContact O-CE 3.39Å
77E79.9Confident85.9Confident150 Ų15071.7 Ų71.770%0.70137%0.366SS*.SBendtrans-60.7-23.8-174.3-70.1172.8-178.100114.4
78N79.8Confident85.2Confident148 Ų14874.3 Ų74.379%0.79138%0.377SS*.SBendtrans-134.481.4176.4-72.6-55.3000110.7P76 K80P76-N78 PolarHBondContact O-N 3.34Å; P76-N78 VanDerWaalsContact O-N 3.11Å; N78-K80 PolarHBondContact O-N 3.01Å
79P79.8Confident84.9Confident27 Ų2774.2 Ų74.218%0.17537%0.374CS..  trans-68.9133.9179.625.8-27.9000109.9P76 I81 W89 M97 M98P76-P79 HydrophobicContact CG-CB 4.38Å; P76-P79 WeakPolarHBondContact O-CD 3.39Å; P79-I81 PolarHBondContact O-N 3.23Å; P79-W89 HydrophobicContact CB-CH2 3.59Å; P79-W89 HydrophobicContact CB-CZ3 3.6Å; P79-W89 HydrophobicContact CG-CE3 4.42Å; P79-W89 HydrophobicContact CG-CH2 4.08Å; P79-W89 HydrophobicContact CG-CZ3 3.52Å; P79-M97 HydrophobicContact CG-CE 4.02Å; P79-M98 WeakPolarHBondContact CG-O 3.48Å
80K79.6Confident84.6Confident192 Ų19275 Ų7584%0.83538%0.375SS*.  trans-74.1112.1168.4-67.5-176.9179.9-178.50108N78 P82N78-K80 PolarHBondContact O-N 3.01Å; K80-P82 WeakPolarHBondContact O-CD 3.38Å
81I81.7Confident84.6Confident50 Ų5078.1 Ų78.126%0.25639%0.388SS..  trans-98.2115.4-177.2-51.5170.6000108.6P79 R86 W89 M98P79-I81 PolarHBondContact O-N 3.23Å; I81-R86 HydrophobicContact CG2-CB 4.49Å; I81-W89 HydrophobicContact CD1-CD2 4.23Å; I81-W89 HydrophobicContact CD1-CE3 4.07Å; I81-W89 HydrophobicContact CG1-CD2 4.05Å; I81-W89 HydrophobicContact CG1-CE3 4.02Å; I81-W89 HydrophobicContact CG1-CH2 4.4Å; I81-W89 HydrophobicContact CG1-CZ2 4.39Å; I81-W89 HydrophobicContact CG1-CZ3 4.22Å; I81-W89 HydrophobicContact CG2-CD2 4.08Å; I81-W89 HydrophobicContact CG2-CG 3.99Å; I81-M98 HydrophobicContact CD1-CB 3.46Å; I81-M98 VanDerWaalsContact CD1-CB 3.46Å; I81-M98 HydrophobicContact CD1-CG 3.69Å
82P78.3Confident84.6Confident52 Ų5275.8 Ų75.834%0.33838%0.376SS..  trans-59.9138.1170.6-21.133.5000110.5K80 T84 E85 R86K80-P82 WeakPolarHBondContact O-CD 3.38Å; P82-T84 PolarHBondContact O-N 3.18Å; P82-E85 HydrophobicContact CB-CB 4.3Å; P82-E85 HydrophobicContact CB-CG 4.19Å; P82-E85 HydrophobicContact CG-CG 4.36Å; P82-E85 PolarHBondContact O-N 3.43Å; P82-R86 PolarHBondContact O-N 3.22Å
83L78.1Confident84.6Confident149 Ų14982.4 Ų82.478%0.7841%0.411SS*.G310 helixtrans-56.2-37.8-180-73.7169.3000112.2E85 R86L83-E85 PolarHBondContact O-N 3.16Å; L83-R86 PolarHBondContact O-N 3.45Å
84T79Confident84.7Confident119 Ų11989.5 Ų89.573%0.7344%0.442SS*.G310 helixtrans-67.5-17.6178.453.60000113.8P82P82-T84 PolarHBondContact O-N 3.18Å
85E78.6Confident84.7Confident10 Ų1087.1 Ų87.15%0.04744%0.437CS..G310 helixtrans-106.3-3.6-176.4-65.3-172.5161.900112.6P82 L83 E87 F88 F261 A262P82-E85 HydrophobicContact CB-CB 4.3Å; P82-E85 HydrophobicContact CB-CG 4.19Å; P82-E85 HydrophobicContact CG-CG 4.36Å; P82-E85 PolarHBondContact O-N 3.43Å; L83-E85 PolarHBondContact O-N 3.16Å; E85-E87 PolarHBondContact O-N 2.87Å; E85-F88 HydrophobicContact CB-CD2 4.46Å; E85-F88 WeakPolarHBondContact O-CB 3.19Å; E85-F88 PolarHBondContact O-N 3.13Å; E85-F261 PolarHBondContact OE1-N 3.1Å; E85-F261 WeakPolarHBondContact OE2-CB 3.42Å; E85-F261 WeakPolarHBondContact OE2-CD2 3.32Å; E85-A262 PolarHBondContact OE1-N 3.42Å
86R79.2Confident84.8Confident161 Ų16193.2 Ų93.261%0.60847%0.469SS*.G310 helixtrans-55.4-32.3-171.2-176.3177.3-83.6-145.6-2.1113.8I81 P82 L83 F88 W89I81-R86 HydrophobicContact CG2-CB 4.49Å; P82-R86 PolarHBondContact O-N 3.22Å; L83-R86 PolarHBondContact O-N 3.45Å; R86-F88 PolarHBondContact O-N 3.36Å; R86-W89 PolarHBondContact O-N 3.32Å
87E82.1Confident85Confident134 Ų13490.8 Ų90.863%0.62645%0.452SS*.G310 helixtrans-66-17.9176.767.7-179.2165.500114.1E85 K101E85-E87 PolarHBondContact O-N 2.87Å; E87-K101 WeakPolarHBondContact O-CE 3.47Å; E87-K101 PolarHBondContact O-NZ 3.42Å
88F80.6Confident85.4Confident54 Ų5486.5 Ų86.524%0.23743%0.433CS..G310 helixtrans-95.28.8177.9-54.4-69.4000113.2E85 R86 P100 K101 V265E85-F88 HydrophobicContact CB-CD2 4.46Å; E85-F88 WeakPolarHBondContact O-CB 3.19Å; E85-F88 PolarHBondContact O-N 3.13Å; R86-F88 PolarHBondContact O-N 3.36Å; F88-P100 CarbonylContact O-C 3.27Å; F88-P100 WeakPolarHBondContact O-CA 3.29Å; F88-K101 WeakPolarHBondContact O-CG 3.31Å; F88-K101 PolarHBondContact O-N 2.93Å; F88-V265 HydrophobicContact CD1-CG2 4.43Å; F88-V265 HydrophobicContact CE1-CG2 4.06Å; F88-V265 HydrophobicContact CZ-CG2 4.45Å
89W88.4Confident85.9Confident15 Ų1581.2 Ų81.26%0.05740%0.401CS..EExtended strand (participates in β ladder)trans-116.4147.5178.4-66.666.3000110.8P79 I81 R86 M98 R99 P100 F261P79-W89 HydrophobicContact CB-CH2 3.59Å; P79-W89 HydrophobicContact CB-CZ3 3.6Å; P79-W89 HydrophobicContact CG-CE3 4.42Å; P79-W89 HydrophobicContact CG-CH2 4.08Å; P79-W89 HydrophobicContact CG-CZ3 3.52Å; I81-W89 HydrophobicContact CD1-CD2 4.23Å; I81-W89 HydrophobicContact CD1-CE3 4.07Å; I81-W89 HydrophobicContact CG1-CD2 4.05Å; I81-W89 HydrophobicContact CG1-CE3 4.02Å; I81-W89 HydrophobicContact CG1-CH2 4.4Å; I81-W89 HydrophobicContact CG1-CZ2 4.39Å; I81-W89 HydrophobicContact CG1-CZ3 4.22Å; I81-W89 HydrophobicContact CG2-CD2 4.08Å; I81-W89 HydrophobicContact CG2-CG 3.99Å; R86-W89 PolarHBondContact O-N 3.32Å; W89-M98 HydrophobicContact CB-CE 3.75Å; W89-M98 HydrophobicContact CE3-CB 3.92Å; W89-M98 WeakPolarHBondContact CZ3-O 3.4Å; W89-R99 CarbonylContact C-O 3.54Å; W89-R99 VanDerWaalsContact CA-O 3.24Å; W89-R99 WeakPolarHBondContact CA-O 3.21Å; W89-P100 HydrophobicContact CD2-CG 4.28Å; W89-P100 HydrophobicContact CE3-CG 4.2Å; W89-P100 HydrophobicContact CH2-CG 3.84Å; W89-P100 HydrophobicContact CZ2-CG 3.95Å; W89-P100 HydrophobicContact CZ3-CG 3.97Å; W89-F261 AromaticContact CH2-CE2 3.99Å; W89-F261 HydrophobicContact CH2-CE2 3.99Å; W89-F261 AromaticContact CH2-CZ 3.95Å; W89-F261 HydrophobicContact CH2-CZ 3.95Å; W89-F261 HydrophobicContact CZ2-CD1 4.46Å; W89-F261 AromaticContact CZ2-CD2 3.65Å; W89-F261 HydrophobicContact CZ2-CD2 3.65Å; W89-F261 HydrophobicContact CZ2-CE1 4.29Å; W89-F261 AromaticContact CZ2-CE2 3.44Å; W89-F261 HydrophobicContact CZ2-CE2 3.44Å; W89-F261 VanDerWaalsContact CZ2-CE2 3.44Å; W89-F261 HydrophobicContact CZ2-CG 4.16Å; W89-F261 AromaticContact CZ2-CZ 3.78Å; W89-F261 HydrophobicContact CZ2-CZ 3.78Å
90E89.2Confident86.3Confident66 Ų6680.4 Ų80.431%0.30840%0.396SS..EExtended strand (participates in β ladder)trans-135.5156.2178.757.3170.6-146.300110.4M98 R99E90-M98 CarbonylContact O-C 3.54Å; E90-M98 WeakPolarHBondContact O-CA 3.47Å; E90-R99 HydrophobicContact CG-CG 3.9Å; E90-R99 PolarHBondContact N-O 3.45Å; E90-R99 WeakPolarHBondContact O-CG 3.36Å; E90-R99 PolarHBondContact O-N 3.06Å; E90-R99 IonicContact OE1-CZ 3.22Å; E90-R99 IonicContact OE1-NE 2.84Å; E90-R99 PolarHBondContact OE1-NE 2.82Å; E90-R99 IonicContact OE1-NH2 3.77Å; E90-R99 PolarHBondContact OE1-NH2 2.7Å
91L91.3Very high86.5Confident87 Ų8776.7 Ų76.746%0.45538%0.38SS..EExtended strand (participates in β ladder)trans-79.2128.6179-177.765.4000110.6M98L91-M98 HydrophobicContact CB-SD 4.15Å; L91-M98 HydrophobicContact CD1-SD 4.28Å
92C93.9Very high86.8Confident4 Ų474.8 Ų74.83%0.02737%0.37CS..EExtended strand (participates in β ladder)trans-89.6107.1163.2-175.40000110.3K94 C95 N96 M97 R99 C112C92-K94 PolarHBondContact O-N 2.89Å; C92-C95 HydrophobicContact CB-CB 4.33Å; C92-C95 PolarHBondContact O-N 2.6Å; C92-N96 WeakPolarHBondContact O-CA 3.32Å; C92-N96 PolarHBondContact O-N 3.19Å; C92-M97 PolarHBondContact N-O 3.36Å; C92-M97 PolarHBondContact O-N 2.87Å; C92-R99 HydrophobicContact CB-CG 4.32Å; C92-C112 PolarHBondContact SG-SG 2.89Å
93N93.9Very high87.4Confident139 Ų13972.4 Ų72.474%0.74336%0.355SS*.THydrogen-bonded Turntrans-61.2-29.8179.5-61.9-24.6000113.7
94K93.9Very high88.1Confident149 Ų14967.2 Ų67.265%0.64833%0.326SS*.THydrogen-bonded Turntrans-75.1-37-179.3-66.8-177.5178.2-175.70113.2C92 H105C92-K94 PolarHBondContact O-N 2.89Å; K94-H105 WeakPolarHBondContact CD-CD2 2.99Å; K94-H105 WeakPolarHBondContact CD-NE2 3.01Å
95C92.7Very high88.9Confident44 Ų4463.3 Ų63.330%0.29730%0.3SS..THydrogen-bonded Turntrans-96.4-7.8178.1-68.50000112.8C92 M97 H105C92-C95 HydrophobicContact CB-CB 4.33Å; C92-C95 PolarHBondContact O-N 2.6Å; C95-M97 VanDerWaalsContact C-N 3.25Å; C95-M97 HydrophobicContact CB-CG 3.57Å; C95-M97 HydrophobicContact CB-SD 3.92Å; C95-M97 PolarHBondContact O-N 3.22Å; C95-H105 VanDerWaalsContact SG-CE1 3.56Å; C95-H105 PolarHBondContact SG-ND1 3.01Å
96N92.8Very high89.7Confident137 Ų13763.1 Ų63.173%0.73330%0.299SS*.THydrogen-bonded Turntrans49.343.9-173.1-163.634.4000113.6C92C92-N96 WeakPolarHBondContact O-CA 3.32Å; C92-N96 PolarHBondContact O-N 3.19Å
97M91.6Very high90.4Very high20 Ų2059.6 Ų59.610%0.09930%0.299CS..EExtended strand (participates in β ladder)trans-142.1154.2-178.663.8174.9-71.900110.8L75 P76 P79 C92 C95L75-M97 HydrophobicContact CB-CE 3.85Å; L75-M97 HydrophobicContact CD1-CE 4.39Å; P76-M97 WeakPolarHBondContact O-CE 3.39Å; P79-M97 HydrophobicContact CG-CE 4.02Å; C92-M97 PolarHBondContact N-O 3.36Å; C92-M97 PolarHBondContact O-N 2.87Å; C95-M97 VanDerWaalsContact C-N 3.25Å; C95-M97 HydrophobicContact CB-CG 3.57Å; C95-M97 HydrophobicContact CB-SD 3.92Å; C95-M97 PolarHBondContact O-N 3.22Å
98M90.1Very high90.9Very high60 Ų6058.9 Ų58.930%0.29629%0.291SS..EExtended strand (participates in β ladder)trans-72.4139.1171.3-63.3-61.5-66.200110.1P79 I81 W89 E90 L91P79-M98 WeakPolarHBondContact CG-O 3.48Å; I81-M98 HydrophobicContact CD1-CB 3.46Å; I81-M98 VanDerWaalsContact CD1-CB 3.46Å; I81-M98 HydrophobicContact CD1-CG 3.69Å; W89-M98 HydrophobicContact CB-CE 3.75Å; W89-M98 HydrophobicContact CE3-CB 3.92Å; W89-M98 WeakPolarHBondContact CZ3-O 3.4Å; E90-M98 CarbonylContact O-C 3.54Å; E90-M98 WeakPolarHBondContact O-CA 3.47Å; L91-M98 HydrophobicContact CB-SD 4.15Å; L91-M98 HydrophobicContact CD1-SD 4.28Å
99R89.7Confident91.5Very high36 Ų3657.3 Ų57.314%0.13629%0.286CS..EExtended strand (participates in β ladder)trans-132.7152.6174.566.7174.7-174.1-157.94.2110.9L75 W89 E90 C92 S103L75-R99 HydrophobicContact CD1-CB 3.57Å; W89-R99 CarbonylContact C-O 3.54Å; W89-R99 VanDerWaalsContact CA-O 3.24Å; W89-R99 WeakPolarHBondContact CA-O 3.21Å; E90-R99 HydrophobicContact CG-CG 3.9Å; E90-R99 PolarHBondContact N-O 3.45Å; E90-R99 WeakPolarHBondContact O-CG 3.36Å; E90-R99 PolarHBondContact O-N 3.06Å; E90-R99 IonicContact OE1-CZ 3.22Å; E90-R99 IonicContact OE1-NE 2.84Å; E90-R99 PolarHBondContact OE1-NE 2.82Å; E90-R99 IonicContact OE1-NH2 3.77Å; E90-R99 PolarHBondContact OE1-NH2 2.7Å; C92-R99 HydrophobicContact CB-CG 4.32Å; R99-S103 VanDerWaalsContact CD-O 3.24Å; R99-S103 WeakPolarHBondContact CD-O 3.37Å; R99-S103 PolarHBondContact NE-O 3.34Å; R99-S103 VanDerWaalsContact NE-O 3.1Å
100P88.3Confident91.7Very high10 Ų1059 Ų597%0.06531%0.309CS..EExtended strand (participates in β ladder)trans-64.1150.3172.4-18.530.1000112.4F88 W89 R102 S103 F261F88-P100 CarbonylContact O-C 3.27Å; F88-P100 WeakPolarHBondContact O-CA 3.29Å; W89-P100 HydrophobicContact CD2-CG 4.28Å; W89-P100 HydrophobicContact CE3-CG 4.2Å; W89-P100 HydrophobicContact CH2-CG 3.84Å; W89-P100 HydrophobicContact CZ2-CG 3.95Å; W89-P100 HydrophobicContact CZ3-CG 3.97Å; P100-R102 PolarHBondContact O-N 2.9Å; P100-S103 WeakPolarHBondContact CD-OG 3.24Å; P100-S103 WeakPolarHBondContact O-CB 3.44Å; P100-S103 PolarHBondContact O-N 3.45Å; P100-S103 PolarHBondContact O-OG 3.06Å; P100-F261 HydrophobicContact CB-CD1 3.88Å; P100-F261 HydrophobicContact CB-CE1 4.16Å; P100-F261 HydrophobicContact CG-CD1 3.51Å; P100-F261 HydrophobicContact CG-CE1 3.3Å; P100-F261 HydrophobicContact CG-CG 4.4Å; P100-F261 HydrophobicContact CG-CZ 4.04Å
101K83.6Confident91.9Very high115 Ų11556.7 Ų56.750%0.530%0.298SS..THydrogen-bonded Turntrans-58.6-1.2-177.6-81.1-179.5174.8170.50117.3E87 F88E87-K101 WeakPolarHBondContact O-CE 3.47Å; E87-K101 PolarHBondContact O-NZ 3.42Å; F88-K101 WeakPolarHBondContact O-CG 3.31Å; F88-K101 PolarHBondContact O-N 2.93Å
102R86.8Confident92.1Very high9 Ų952.6 Ų52.63%0.03428%0.277CS..THydrogen-bonded Turntrans-117.66.1172.5-58.1-176.272.7169.72.5113.3P100 R115 D208 E213P100-R102 PolarHBondContact O-N 2.9Å; R102-R115 HydrophobicContact CB-CG 4.49Å; R102-R115 WeakPolarHBondContact O-CA 3.3Å; R102-R115 PolarHBondContact O-N 2.96Å; R102-D208 IonicContact CZ-OD2 3.91Å; R102-D208 IonicContact NH1-OD2 2.83Å; R102-D208 PolarHBondContact NH1-OD2 2.89Å; R102-D208 PolarHBondContact NH2-O 3.48Å; R102-D208 IonicContact NH2-OD2 3.67Å; R102-E213 WeakPolarHBondContact CD-OE1 3.47Å; R102-E213 WeakPolarHBondContact CG-OE1 3.46Å; R102-E213 IonicContact CZ-OE1 3.79Å; R102-E213 VanDerWaalsContact CZ-OE1 3.29Å; R102-E213 IonicContact CZ-OE2 3.86Å; R102-E213 IonicContact NE-OE1 3.65Å; R102-E213 PolarHBondContact NE-OE1 3.5Å; R102-E213 IonicContact NE-OE2 3.54Å; R102-E213 IonicContact NH2-OE1 3.29Å; R102-E213 PolarHBondContact NH2-OE1 3.5Å; R102-E213 IonicContact NH2-OE2 3.96Å; R102-E213 PolarHBondContact NH2-OE2 3.08Å
103S91.4Very high92.1Very high3 Ų352.4 Ų52.42%0.02128%0.275CS..  trans-97.4140.3178.7-55.10000109.2R99 P100 V113R99-S103 VanDerWaalsContact CD-O 3.24Å; R99-S103 WeakPolarHBondContact CD-O 3.37Å; R99-S103 PolarHBondContact NE-O 3.34Å; R99-S103 VanDerWaalsContact NE-O 3.1Å; P100-S103 WeakPolarHBondContact CD-OG 3.24Å; P100-S103 WeakPolarHBondContact O-CB 3.44Å; P100-S103 PolarHBondContact O-N 3.45Å; P100-S103 PolarHBondContact O-OG 3.06Å; S103-V113 VanDerWaalsContact CA-O 3.24Å; S103-V113 WeakPolarHBondContact CA-O 3.44Å; S103-V113 WeakPolarHBondContact CB-O 3.5Å
104H93.7Very high92Very high39 Ų3947.3 Ų47.318%0.18125%0.245CC..EExtended strand (participates in β ladder)trans-128.5151.2-179.4-59.3-78.9000110.8C112 V113 M116 I212H104-C112 VanDerWaalsContact O-CA 3.32Å; H104-C112 WeakPolarHBondContact O-CA 3.44Å; H104-V113 PolarHBondContact N-O 3.26Å; H104-V113 PolarHBondContact O-N 3.37Å; H104-M116 HydrophobicContact CB-CB 4.01Å; H104-M116 HydrophobicContact CB-CG 4.42Å; H104-M116 HydrophobicContact CB-SD 3.8Å; H104-I212 HydrophobicContact CB-CD1 3.94Å; H104-I212 WeakPolarHBondContact NE2-CG2 3.29Å
105H95Very high91.9Very high38 Ų3842 Ų4218%0.17622%0.221CC..EExtended strand (participates in β ladder)trans-85121.2175.1178.698.1000109.4K94 C95K94-H105 WeakPolarHBondContact CD-CD2 2.99Å; K94-H105 WeakPolarHBondContact CD-NE2 3.01Å; C95-H105 VanDerWaalsContact SG-CE1 3.56Å; C95-H105 PolarHBondContact SG-ND1 3.01Å
106C95.6Very high92Very high5 Ų540.5 Ų40.53%0.03421%0.21CC..EExtended strand (participates in β ladder)trans-90.1115171.4179.60000109.8R108 C109 G110 H111 M116 C126C106-R108 VanDerWaalsContact C-N 3.27Å; C106-R108 PolarHBondContact O-N 3.2Å; C106-C109 HydrophobicContact CB-CB 3.9Å; C106-C109 PolarHBondContact O-N 3.18Å; C106-C109 PolarHBondContact SG-N 3.42Å; C106-C109 VanDerWaalsContact SG-N 3.4Å; C106-G110 PolarHBondContact O-N 3.29Å; C106-H111 PolarHBondContact N-O 2.85Å; C106-M116 HydrophobicContact CB-CE 3.61Å; C106-M116 HydrophobicContact CB-SD 3.94Å; C106-C126 VanDerWaalsContact CB-SG 3.53Å; C106-C126 PolarHBondContact SG-SG 3.34Å
107S93.6Very high92.1Very high88 Ų8834.2 Ų34.262%0.61518%0.177SC*.THydrogen-bonded Turntrans-65.6-29.3177.6500000113.2
108R93.4Very high92.3Very high119 Ų11935.2 Ų35.245%0.44918%0.181SC..THydrogen-bonded Turntrans-69.7-38.8176.1-63.6-74.9-175.1149.23.2111.8D10 C106D10-R108 IonicContact OD1-CZ 3.92Å; D10-R108 IonicContact OD1-NH1 3.44Å; D10-R108 PolarHBondContact OD1-NH1 3.09Å; D10-R108 IonicContact OD2-NH1 3.27Å; C106-R108 VanDerWaalsContact C-N 3.27Å; C106-R108 PolarHBondContact O-N 3.2Å
109C93.3Very high92.5Very high21 Ų2134.1 Ų34.114%0.14218%0.175CC..THydrogen-bonded Turntrans-89.6-19.8-179-67.80000113.7V8 C106 H111 H119 C126V8-C109 HydrophobicContact CG1-CB 4.49Å; V8-C109 HydrophobicContact CG2-CB 4.45Å; V8-C109 VanDerWaalsContact CG2-SG 3.6Å; C106-C109 HydrophobicContact CB-CB 3.9Å; C106-C109 PolarHBondContact O-N 3.18Å; C106-C109 PolarHBondContact SG-N 3.42Å; C106-C109 VanDerWaalsContact SG-N 3.4Å; C109-H111 VanDerWaalsContact C-N 3.34Å; C109-H111 WeakPolarHBondContact CB-NE2 3.44Å; C109-H111 PolarHBondContact O-CD2 3.49Å; C109-H111 PolarHBondContact O-N 3.02Å; C109-H119 PolarHBondContact SG-ND1 3.3Å; C109-C126 PolarHBondContact SG-SG 2.78Å
110G93Very high92.8Very high51 Ų5132.6 Ų32.653%0.52617%0.17SC..THydrogen-bonded Turntrans74.616.1179.700000115.1C106C106-G110 PolarHBondContact O-N 3.29Å
111H92.9Very high93.2Very high16 Ų1633.7 Ų33.77%0.07418%0.177CC..EExtended strand (participates in β ladder)trans-147.4166.1-179.659.474000112.6H6 K74 C106 C109H6-H111 AromaticContact CE1-NE2 3.65Å; H6-H111 AromaticContact NE2-CE1 3.6Å; H6-H111 AromaticContact NE2-NE2 3.11Å; H6-H111 PolarHBondContact NE2-NE2 3.47Å; H6-H111 VanDerWaalsContact NE2-NE2 3.11Å; K74-H111 HydrophobicContact CD-CB 4.14Å; K74-H111 HydrophobicContact CG-CB 4.13Å; C106-H111 PolarHBondContact N-O 2.85Å; C109-H111 VanDerWaalsContact C-N 3.34Å; C109-H111 WeakPolarHBondContact CB-NE2 3.44Å; C109-H111 PolarHBondContact O-CD2 3.49Å; C109-H111 PolarHBondContact O-N 3.02Å
112C94.5Very high93.8Very high2 Ų233.9 Ų33.91%0.01418%0.175CC..EExtended strand (participates in β ladder)trans-85.8135.4174-69.30000112L75 C92 H104L75-C112 HydrophobicContact CB-CB 4.35Å; L75-C112 HydrophobicContact CD1-CB 3.78Å; L75-C112 HydrophobicContact CG-CB 4.45Å; L75-C112 PolarHBondContact N-O 3.01Å; C92-C112 PolarHBondContact SG-SG 2.89Å; H104-C112 VanDerWaalsContact O-CA 3.32Å; H104-C112 WeakPolarHBondContact O-CA 3.44Å
113V94.6Very high94.2Very high0 Ų033.5 Ų33.50%017%0.173CC..EExtended strand (participates in β ladder)trans-114.6132.9-179176.50000109.7P72 S103 H104 M116 C126P72-V113 HydrophobicContact CB-CG1 3.89Å; P72-V113 HydrophobicContact CB-CG2 4.45Å; P72-V113 HydrophobicContact CG-CG1 4.28Å; P72-V113 HydrophobicContact CG-CG2 4.02Å; S103-V113 VanDerWaalsContact CA-O 3.24Å; S103-V113 WeakPolarHBondContact CA-O 3.44Å; S103-V113 WeakPolarHBondContact CB-O 3.5Å; H104-V113 PolarHBondContact N-O 3.26Å; H104-V113 PolarHBondContact O-N 3.37Å; V113-M116 HydrophobicContact CB-CB 3.93Å; V113-M116 HydrophobicContact CB-CG 4.11Å; V113-M116 HydrophobicContact CB-SD 4.38Å; V113-M116 HydrophobicContact CG1-CB 4.07Å; V113-M116 HydrophobicContact CG1-CG 4.32Å; V113-C126 HydrophobicContact CG1-CB 4.46Å; V113-C126 HydrophobicContact CG2-CB 4.04Å
114R92Very high94.4Very high31 Ų3133.8 Ų33.812%0.11717%0.174CC..THydrogen-bonded Turntrans-69134.9175.7-69-175.3-66.6129.7-5.9111.3G73 L75 M116 E129 D130G73-R114 WeakPolarHBondContact O-CG 3.47Å; G73-R114 PolarHBondContact O-N 3.44Å; L75-R114 HydrophobicContact CD2-CG 3.48Å; L75-R114 VanDerWaalsContact CD2-CG 3.48Å; L75-R114 HydrophobicContact CG-CG 3.84Å; R114-M116 PolarHBondContact O-N 2.92Å; R114-M116 VanDerWaalsContact O-N 3.13Å; R114-E129 HydrophobicContact CB-CB 4.18Å; R114-E129 WeakPolarHBondContact CB-OE2 3.4Å; R114-E129 IonicContact CZ-OE2 3.6Å; R114-E129 IonicContact NE-OE2 3.96Å; R114-E129 VanDerWaalsContact NH1-CD 3.31Å; R114-E129 IonicContact NH1-OE1 3.86Å; R114-E129 IonicContact NH1-OE2 3.78Å; R114-E129 PolarHBondContact NH1-OE2 3.23Å; R114-E129 WeakPolarHBondContact O-CB 3.19Å; R114-E129 PolarHBondContact O-N 3.47Å; R114-D130 IonicContact CZ-OD1 3.7Å; R114-D130 IonicContact CZ-OD2 2.69Å; R114-D130 IonicContact NH1-OD1 2.84Å; R114-D130 IonicContact NH2-OD1 2.95Å; R114-D130 PolarHBondContact NH2-OD1 3.5Å; R114-D130 IonicContact NH2-OD2 2.65Å; R114-D130 PolarHBondContact NH2-OD2 3.02Å
115R91.1Very high94.5Very high37 Ų3731.9 Ų31.914%0.1417%0.166CC..THydrogen-bonded Turntrans41.448.4-174.6-56.2-176.471.3167.90.3111.3R102 D117 E129 D208R102-R115 HydrophobicContact CB-CG 4.49Å; R102-R115 WeakPolarHBondContact O-CA 3.3Å; R102-R115 PolarHBondContact O-N 2.96Å; R115-D117 PolarHBondContact O-N 3.33Å; R115-E129 HydrophobicContact CB-CB 4.09Å; R115-E129 HydrophobicContact CG-CB 4.36Å; R115-D208 IonicContact CZ-OD1 2.89Å; R115-D208 IonicContact NH2-OD1 3.31Å; R115-D208 PolarHBondContact NH2-OD1 2.97Å; R115-D208 IonicContact NH2-OD2 3.76Å
116M94.4Very high94.6Very high13 Ų1330.1 Ų30.16%0.06416%0.157CC..  trans-60125.4-176.6-176.8178.6168.900108.9H104 C106 V113 R114 H119 I212H104-M116 HydrophobicContact CB-CB 4.01Å; H104-M116 HydrophobicContact CB-CG 4.42Å; H104-M116 HydrophobicContact CB-SD 3.8Å; C106-M116 HydrophobicContact CB-CE 3.61Å; C106-M116 HydrophobicContact CB-SD 3.94Å; V113-M116 HydrophobicContact CB-CB 3.93Å; V113-M116 HydrophobicContact CB-CG 4.11Å; V113-M116 HydrophobicContact CB-SD 4.38Å; V113-M116 HydrophobicContact CG1-CB 4.07Å; V113-M116 HydrophobicContact CG1-CG 4.32Å; R114-M116 PolarHBondContact O-N 2.92Å; R114-M116 VanDerWaalsContact O-N 3.13Å; M116-H119 HydrophobicContact CE-CB 4.44Å; M116-I212 HydrophobicContact CB-CD1 4.29Å; M116-I212 HydrophobicContact CE-CD1 4.36Å; M116-I212 HydrophobicContact CG-CD1 3.98Å; M116-I212 HydrophobicContact SD-CD1 4.15Å
117D95.2Very high94.7Very high5 Ų529.9 Ų29.93%0.02716%0.156CC..  trans-92-59.2175.2-166.272.7000110.5R115 V127 Q201 T210 S211 I212R115-D117 PolarHBondContact O-N 3.33Å; D117-V127 HydrophobicContact CB-CB 4.46Å; D117-V127 HydrophobicContact CB-CG1 4.36Å; D117-V127 PolarHBondContact N-O 2.77Å; D117-Q201 PolarHBondContact OD2-NE2 3.34Å; D117-Q201 PolarHBondContact OD2-OE1 3.2Å; D117-T210 WeakPolarHBondContact OD1-CA 3.37Å; D117-T210 WeakPolarHBondContact OD1-CB 3.42Å; D117-S211 PolarHBondContact OD1-N 3.18Å; D117-S211 PolarHBondContact OD1-OG 3Å; D117-S211 PolarHBondContact OD2-OG 2.88Å; D117-I212 WeakPolarHBondContact O-CG1 3.49Å
118H95.3Very high94.8Very high42 Ų4225.7 Ų25.719%0.19413%0.127CC..EExtended strand (participates in β ladder)trans-161.3165.5176.762.1-82.8000111.6C126 V127 F135H118-C126 WeakPolarHBondContact O-CA 3.16Å; H118-V127 PolarHBondContact N-O 3.23Å; H118-V127 PolarHBondContact O-N 2.87Å; H118-F135 AromaticContact CE1-CE1 3.93Å; H118-F135 AromaticContact NE2-CZ 3.92Å
119H95.9Very high94.7Very high36 Ų3621.7 Ų21.717%0.16711%0.113CC..EExtended strand (participates in β ladder)trans-90.9121.5163.4-177.785.8000108.7D10 C109 M116D10-H119 IonicContact OD2-CD2 3.97Å; D10-H119 IonicContact OD2-CE1 3.9Å; D10-H119 IonicContact OD2-NE2 3.33Å; D10-H119 PolarHBondContact OD2-NE2 2.69Å; C109-H119 PolarHBondContact SG-ND1 3.3Å; M116-H119 HydrophobicContact CE-CB 4.44Å
120C96.2Very high94.7Very high5 Ų522.8 Ų22.83%0.03412%0.118CC..EExtended strand (participates in β ladder)trans-107.2112-175.9-178.10000110.1W122 I123 N124 N125 V127C120-W122 PolarHBondContact O-N 2.84Å; C120-I123 HydrophobicContact CB-CD1 4.2Å; C120-I123 HydrophobicContact CB-CG1 3.74Å; C120-I123 PolarHBondContact O-N 3.27Å; C120-N124 PolarHBondContact O-N 3.31Å; C120-N124 VanDerWaalsContact O-N 3.14Å; C120-N125 PolarHBondContact N-O 2.9Å; C120-N125 PolarHBondContact O-N 3.43Å; C120-V127 HydrophobicContact CB-CG2 4.14Å
121P95.1Very high94.7Very high32 Ų3220.4 Ų20.421%0.2089%0.093CC..G310 helixtrans-65.9-26.9178.727.6-34.1000111.8G13 C16 I123 N124G13-P121 WeakPolarHBondContact CA-O 3.27Å; C16-P121 HydrophobicContact CB-CB 4.22Å; C16-P121 WeakPolarHBondContact CB-O 3.26Å; P121-I123 VanDerWaalsContact C-N 3.26Å; P121-I123 PolarHBondContact O-N 2.8Å; P121-N124 PolarHBondContact O-N 2.84Å; P121-N124 VanDerWaalsContact O-N 3.09Å
122W95.8Very high94.8Very high120 Ų12021 Ų2146%0.45510%0.096SC..G310 helixtrans-71.4-15.3-179.9-53.4109.7000114.7C16 I20 C120C16-W122 HydrophobicContact CB-CD2 4.19Å; C16-W122 HydrophobicContact CB-CE3 3.62Å; C16-W122 HydrophobicContact CB-CZ3 3.91Å; I20-W122 WeakPolarHBondContact CD1-O 3.43Å; I20-W122 HydrophobicContact CG2-CE3 3.64Å; I20-W122 HydrophobicContact CG2-CZ3 4.03Å; C120-W122 PolarHBondContact O-N 2.84Å
123I96.1Very high94.8Very high0 Ų021.2 Ų21.20%010%0.096CC..G310 helixtrans-114.83.3168.464.1170.1000111.4M17 L64 A67 S68 C120 P121 N125 V127 F135 L138M17-I123 VanDerWaalsContact SD-CA 3.56Å; L64-I123 HydrophobicContact CD1-CG2 4.02Å; A67-I123 HydrophobicContact CB-CB 4.48Å; A67-I123 HydrophobicContact CB-CD1 4.28Å; A67-I123 HydrophobicContact CB-CG2 4.09Å; S68-I123 WeakPolarHBondContact CA-O 3.42Å; S68-I123 WeakPolarHBondContact CB-O 3.34Å; C120-I123 HydrophobicContact CB-CD1 4.2Å; C120-I123 HydrophobicContact CB-CG1 3.74Å; C120-I123 PolarHBondContact O-N 3.27Å; P121-I123 VanDerWaalsContact C-N 3.26Å; P121-I123 PolarHBondContact O-N 2.8Å; I123-N125 HydrophobicContact CD1-CB 4.03Å; I123-N125 HydrophobicContact CG1-CB 3.99Å; I123-N125 PolarHBondContact O-N 2.76Å; I123-N125 VanDerWaalsContact O-N 3.16Å; I123-V127 HydrophobicContact CD1-CG2 3.81Å; I123-F135 HydrophobicContact CD1-CD2 4.24Å; I123-F135 HydrophobicContact CG2-CD2 4.41Å; I123-L138 HydrophobicContact CG2-CD2 3.42Å; I123-L138 VanDerWaalsContact CG2-CD2 3.42Å
124N96Very high94.9Very high9 Ų921.7 Ų21.75%0.04810%0.099CC..THydrogen-bonded Turntrans4542.1-171.2-17133.1000113.5V8 D10 W14 M17 C120 P121V8-N124 PolarHBondContact O-ND2 3.21Å; D10-N124 WeakPolarHBondContact CB-OD1 3.21Å; W14-N124 VanDerWaalsContact CZ2-ND2 3.27Å; W14-N124 WeakPolarHBondContact CZ2-ND2 3.37Å; W14-N124 PolarHBondContact NE1-ND2 2.86Å; M17-N124 HydrophobicContact CG-CB 3.73Å; C120-N124 PolarHBondContact O-N 3.31Å; C120-N124 VanDerWaalsContact O-N 3.14Å; P121-N124 PolarHBondContact O-N 2.84Å; P121-N124 VanDerWaalsContact O-N 3.09Å
125N96.3Very high95.1Very high0 Ų020.4 Ų20.40%09%0.094CC..EExtended strand (participates in β ladder)trans-157.6161.5-175.4-163.31.7000110.8H6 A67 S68 A70 C120 I123H6-N125 PolarHBondContact CE1-OD1 2.97Å; H6-N125 PolarHBondContact ND1-OD1 3.17Å; A67-N125 PolarHBondContact O-ND2 2.98Å; S68-N125 PolarHBondContact O-ND2 3.32Å; S68-N125 VanDerWaalsContact O-ND2 3.15Å; A70-N125 PolarHBondContact O-ND2 3.45Å; C120-N125 PolarHBondContact N-O 2.9Å; C120-N125 PolarHBondContact O-N 3.43Å; I123-N125 HydrophobicContact CD1-CB 4.03Å; I123-N125 HydrophobicContact CG1-CB 3.99Å; I123-N125 PolarHBondContact O-N 2.76Å; I123-N125 VanDerWaalsContact O-N 3.16Å
126C96.9Very high95.3Very high0 Ų018.8 Ų18.80%09%0.088CC..EExtended strand (participates in β ladder)trans-71.4149.1166.9-76.80000111.2P72 C106 C109 V113 H118 N131P72-C126 HydrophobicContact CB-CB 3.78Å; P72-C126 WeakPolarHBondContact CB-O 3.41Å; P72-C126 HydrophobicContact CG-CB 4.02Å; C106-C126 VanDerWaalsContact CB-SG 3.53Å; C106-C126 PolarHBondContact SG-SG 3.34Å; C109-C126 PolarHBondContact SG-SG 2.78Å; V113-C126 HydrophobicContact CG1-CB 4.46Å; V113-C126 HydrophobicContact CG2-CB 4.04Å; H118-C126 WeakPolarHBondContact O-CA 3.16Å; C126-N131 PolarHBondContact O-ND2 2.87Å; C126-N131 PolarHBondContact O-OD1 3.42Å
127V97.3Very high95.4Very high0 Ų018.5 Ų18.50%09%0.086CC..EExtended strand (participates in β ladder)trans-100118.2162.3-1770000107D117 H118 C120 I123 N131 H132 F135D117-V127 HydrophobicContact CB-CB 4.46Å; D117-V127 HydrophobicContact CB-CG1 4.36Å; D117-V127 PolarHBondContact N-O 2.77Å; H118-V127 PolarHBondContact N-O 3.23Å; H118-V127 PolarHBondContact O-N 2.87Å; C120-V127 HydrophobicContact CB-CG2 4.14Å; I123-V127 HydrophobicContact CD1-CG2 3.81Å; V127-N131 WeakPolarHBondContact CA-OD1 3.38Å; V127-H132 HydrophobicContact CG1-CB 4.2Å; V127-F135 HydrophobicContact CG1-CB 4.01Å; V127-F135 HydrophobicContact CG1-CD1 4.17Å; V127-F135 HydrophobicContact CG1-CG 4.13Å; V127-F135 HydrophobicContact CG2-CB 4.13Å; V127-F135 HydrophobicContact CG2-CD1 4.2Å; V127-F135 HydrophobicContact CG2-CD2 3.76Å; V127-F135 HydrophobicContact CG2-CE2 4.21Å; V127-F135 HydrophobicContact CG2-CG 3.76Å
128G94.9Very high95.5Very high1 Ų118.9 Ų18.91%0.019%0.089CC..  trans-146.8-169.3-178.200000111.6P72 D130 N131 H132P72-G128 CarbonylContact O-C 3.5Å; P72-G128 VanDerWaalsContact O-CA 3.29Å; P72-G128 WeakPolarHBondContact O-CA 3.37Å; G128-D130 VanDerWaalsContact C-N 3.28Å; G128-D130 PolarHBondContact O-N 3.03Å; G128-D130 VanDerWaalsContact O-N 3.13Å; G128-N131 PolarHBondContact N-OD1 2.93Å; G128-N131 PolarHBondContact O-N 3.38Å; G128-N131 PolarHBondContact O-OD1 2.81Å; G128-H132 VanDerWaalsContact O-CB 3.25Å; G128-H132 WeakPolarHBondContact O-CB 3.28Å; G128-H132 PolarHBondContact O-N 3.29Å
129E92Very high95.6Very high34 Ų3416.9 Ų16.916%0.1598%0.079CC..THydrogen-bonded Turntrans-52.3-40.8-169.5-172.1169-166.700114.9P72 R114 R115 H264P72-E129 PolarHBondContact O-N 3.3Å; R114-E129 HydrophobicContact CB-CB 4.18Å; R114-E129 WeakPolarHBondContact CB-OE2 3.4Å; R114-E129 IonicContact CZ-OE2 3.6Å; R114-E129 IonicContact NE-OE2 3.96Å; R114-E129 VanDerWaalsContact NH1-CD 3.31Å; R114-E129 IonicContact NH1-OE1 3.86Å; R114-E129 IonicContact NH1-OE2 3.78Å; R114-E129 PolarHBondContact NH1-OE2 3.23Å; R114-E129 WeakPolarHBondContact O-CB 3.19Å; R114-E129 PolarHBondContact O-N 3.47Å; R115-E129 HydrophobicContact CB-CB 4.09Å; R115-E129 HydrophobicContact CG-CB 4.36Å; E129-H264 IonicContact OE1-CE1 2.71Å; E129-H264 PolarHBondContact OE1-CE1 3Å; E129-H264 IonicContact OE1-NE2 3.55Å
130D92.1Very high95.6Very high45 Ų4518 Ų1824%0.2418%0.084CC..THydrogen-bonded Turntrans-86.9-23.1-170.3-71.7-15.4000113.5D71 P72 G73 R114 G128 W133 R252D71-D130 WeakPolarHBondContact O-CB 3.27Å; P72-D130 PolarHBondContact O-N 3.01Å; G73-D130 WeakPolarHBondContact CA-OD2 3.47Å; R114-D130 IonicContact CZ-OD1 3.7Å; R114-D130 IonicContact CZ-OD2 2.69Å; R114-D130 IonicContact NH1-OD1 2.84Å; R114-D130 IonicContact NH2-OD1 2.95Å; R114-D130 PolarHBondContact NH2-OD1 3.5Å; R114-D130 IonicContact NH2-OD2 2.65Å; R114-D130 PolarHBondContact NH2-OD2 3.02Å; G128-D130 VanDerWaalsContact C-N 3.28Å; G128-D130 PolarHBondContact O-N 3.03Å; G128-D130 VanDerWaalsContact O-N 3.13Å; D130-W133 VanDerWaalsContact O-CD1 3.3Å; D130-W133 PolarHBondContact O-NE1 3.23Å; D130-R252 IonicContact OD1-NH1 3.82Å
131N94.7Very high95.7Very high1 Ų118.5 Ų18.51%0.0059%0.085CC..THydrogen-bonded Turntrans-117.7-1.7-177.476.3-12.6000114.6A70 C126 V127 G128 W133 L134 F135A70-N131 HydrophobicContact CB-CB 3.79Å; C126-N131 PolarHBondContact O-ND2 2.87Å; C126-N131 PolarHBondContact O-OD1 3.42Å; V127-N131 WeakPolarHBondContact CA-OD1 3.38Å; G128-N131 PolarHBondContact N-OD1 2.93Å; G128-N131 PolarHBondContact O-N 3.38Å; G128-N131 PolarHBondContact O-OD1 2.81Å; N131-W133 PolarHBondContact O-N 3.47Å; N131-L134 HydrophobicContact CB-CD1 4.23Å; N131-L134 WeakPolarHBondContact O-CA 3.39Å; N131-L134 WeakPolarHBondContact O-CB 3.5Å; N131-L134 PolarHBondContact O-N 3.25Å; N131-F135 PolarHBondContact O-N 3.41Å; N131-F135 VanDerWaalsContact O-N 3.11Å
132H95Very high95.8Very high27 Ų2718 Ų1813%0.1258%0.081CC..Hα-helixtrans-54-40.9179.6-167.9177000112.4V127 G128 L134 F135 L136 Q201V127-H132 HydrophobicContact CG1-CB 4.2Å; G128-H132 VanDerWaalsContact O-CB 3.25Å; G128-H132 WeakPolarHBondContact O-CB 3.28Å; G128-H132 PolarHBondContact O-N 3.29Å; H132-L134 VanDerWaalsContact C-N 3.31Å; H132-L134 PolarHBondContact O-N 3.11Å; H132-F135 WeakPolarHBondContact O-CB 3.39Å; H132-F135 PolarHBondContact O-N 3.38Å; H132-L136 WeakPolarHBondContact O-CG 3.05Å; H132-L136 PolarHBondContact O-N 2.78Å; H132-Q201 PolarHBondContact NE2-NE2 3.49Å
133W94.4Very high95.9Very high8 Ų814.1 Ų14.13%0.037%0.068CC..Hα-helixtrans-64.7-31.7177.174.1-77.5000113.5R66 D130 N131 L136 Q137 V236 F237 R250 R252R66-W133 VanDerWaalsContact NH2-CH2 3.3Å; D130-W133 VanDerWaalsContact O-CD1 3.3Å; D130-W133 PolarHBondContact O-NE1 3.23Å; N131-W133 PolarHBondContact O-N 3.47Å; W133-L136 PolarHBondContact O-N 3.14Å; W133-Q137 HydrophobicContact CE3-CG 4.44Å; W133-Q137 WeakPolarHBondContact O-CG 3.22Å; W133-Q137 PolarHBondContact O-N 3.32Å; W133-Q137 VanDerWaalsContact O-N 3.08Å; W133-V236 HydrophobicContact CB-CG1 3.98Å; W133-F237 HydrophobicContact CB-CD1 4.06Å; W133-F237 HydrophobicContact CB-CE1 4.34Å; W133-F237 HydrophobicContact CB-CG 4.47Å; W133-F237 HydrophobicContact CE3-CD1 4.49Å; W133-R250 WeakPolarHBondContact CH2-O 2.91Å; W133-R252 HydrophobicContact CD2-CB 4.46Å; W133-R252 HydrophobicContact CZ2-CB 3.76Å
134L95.4Very high95.9Very high9 Ų917 Ų175%0.0478%0.083CC..Hα-helixtrans-69.7-39.2174.1-65.9170.7000110.7R66 A67 A70 N131 H132 L136 Q137 L138R66-L134 HydrophobicContact CB-CD1 4.35Å; R66-L134 HydrophobicContact CB-CD2 4.1Å; A67-L134 HydrophobicContact CB-CB 4.2Å; A70-L134 HydrophobicContact CB-CD1 3.46Å; A70-L134 VanDerWaalsContact CB-CD1 3.46Å; N131-L134 HydrophobicContact CB-CD1 4.23Å; N131-L134 WeakPolarHBondContact O-CA 3.39Å; N131-L134 WeakPolarHBondContact O-CB 3.5Å; N131-L134 PolarHBondContact O-N 3.25Å; H132-L134 VanDerWaalsContact C-N 3.31Å; H132-L134 PolarHBondContact O-N 3.11Å; L134-L136 VanDerWaalsContact C-N 3.33Å; L134-L136 PolarHBondContact O-N 2.83Å; L134-Q137 PolarHBondContact O-N 3.43Å; L134-L138 PolarHBondContact O-N 3.09Å
135F96.4Very high96Very high5 Ų517.1 Ų17.12%0.0228%0.084CC..Hα-helixtrans-61.5-41.6174.1-175.8-106.4000111.6H118 I123 V127 N131 H132 Q137 L138 C139 Q201H118-F135 AromaticContact CE1-CE1 3.93Å; H118-F135 AromaticContact NE2-CZ 3.92Å; I123-F135 HydrophobicContact CD1-CD2 4.24Å; I123-F135 HydrophobicContact CG2-CD2 4.41Å; V127-F135 HydrophobicContact CG1-CB 4.01Å; V127-F135 HydrophobicContact CG1-CD1 4.17Å; V127-F135 HydrophobicContact CG1-CG 4.13Å; V127-F135 HydrophobicContact CG2-CB 4.13Å; V127-F135 HydrophobicContact CG2-CD1 4.2Å; V127-F135 HydrophobicContact CG2-CD2 3.76Å; V127-F135 HydrophobicContact CG2-CE2 4.21Å; V127-F135 HydrophobicContact CG2-CG 3.76Å; N131-F135 PolarHBondContact O-N 3.41Å; N131-F135 VanDerWaalsContact O-N 3.11Å; H132-F135 WeakPolarHBondContact O-CB 3.39Å; H132-F135 PolarHBondContact O-N 3.38Å; F135-Q137 PolarHBondContact O-N 3.01Å; F135-L138 WeakPolarHBondContact O-CB 3.33Å; F135-L138 PolarHBondContact O-N 3.3Å; F135-C139 PolarHBondContact O-N 3.39Å; F135-C139 PolarHBondContact O-SG 2.94Å; F135-C139 VanDerWaalsContact O-SG 3.33Å; F135-Q201 HydrophobicContact CD1-CG 3.98Å; F135-Q201 HydrophobicContact CE1-CG 3.65Å
136L96.3Very high96.1Very high3 Ų317.6 Ų17.62%0.0169%0.087CC..Hα-helixtrans-62.5-41.1173.5-65.4171.5000112.6H132 W133 L134 L138 C139 F140 F198 Q201 I205 V236 F237H132-L136 WeakPolarHBondContact O-CG 3.05Å; H132-L136 PolarHBondContact O-N 2.78Å; W133-L136 PolarHBondContact O-N 3.14Å; L134-L136 VanDerWaalsContact C-N 3.33Å; L134-L136 PolarHBondContact O-N 2.83Å; L136-L138 VanDerWaalsContact C-N 3.35Å; L136-C139 PolarHBondContact O-N 3.25Å; L136-F140 WeakPolarHBondContact O-CB 3.45Å; L136-F140 PolarHBondContact O-N 3.27Å; L136-F198 HydrophobicContact CB-CE2 4.37Å; L136-F198 HydrophobicContact CD2-CD2 4.16Å; L136-F198 HydrophobicContact CD2-CE2 4.01Å; L136-Q201 HydrophobicContact CD2-CB 3.66Å; L136-Q201 HydrophobicContact CD2-CG 4.4Å; L136-I205 HydrophobicContact CD1-CD1 3.43Å; L136-I205 VanDerWaalsContact CD1-CD1 3.43Å; L136-I205 HydrophobicContact CD2-CD1 4.12Å; L136-I205 HydrophobicContact CG-CD1 4.33Å; L136-V236 HydrophobicContact CD1-CG1 3.9Å; L136-F237 HydrophobicContact CB-CZ 4.22Å; L136-F237 HydrophobicContact CD1-CE2 3.81Å; L136-F237 HydrophobicContact CD1-CZ 3.72Å
137Q95.7Very high96.2Very high6 Ų619.7 Ų19.73%0.02810%0.102CC..Hα-helixtrans-61.4-43.9174.7-74.2-170.2-28.200111.3W133 L134 F135 C139 F140 Y141 W245 I247W133-Q137 HydrophobicContact CE3-CG 4.44Å; W133-Q137 WeakPolarHBondContact O-CG 3.22Å; W133-Q137 PolarHBondContact O-N 3.32Å; W133-Q137 VanDerWaalsContact O-N 3.08Å; L134-Q137 PolarHBondContact O-N 3.43Å; F135-Q137 PolarHBondContact O-N 3.01Å; Q137-C139 PolarHBondContact O-N 3.41Å; Q137-F140 PolarHBondContact O-N 3.28Å; Q137-Y141 HydrophobicContact CB-CD2 4.36Å; Q137-Y141 HydrophobicContact CB-CE2 4.22Å; Q137-Y141 WeakPolarHBondContact O-CD2 3.36Å; Q137-Y141 PolarHBondContact O-N 2.68Å; Q137-W245 PolarHBondContact NE2-O 3.28Å; Q137-I247 PolarHBondContact NE2-O 2.83Å; Q137-I247 VanDerWaalsContact NE2-O 3.16Å
138L96.9Very high96.2Very high14 Ų1422.1 Ų22.17%0.07311%0.111CC..Hα-helixtrans-57.6-48.7174.7170.960.9000111.3S63 L64 A67 I123 L134 F135 L136 F140 T142S63-L138 WeakPolarHBondContact OG-CA 3.5Å; L64-L138 HydrophobicContact CB-CD1 3.8Å; L64-L138 HydrophobicContact CD1-CD1 4.33Å; L64-L138 HydrophobicContact CD1-CD2 3.9Å; A67-L138 HydrophobicContact CB-CD2 4.36Å; I123-L138 HydrophobicContact CG2-CD2 3.42Å; I123-L138 VanDerWaalsContact CG2-CD2 3.42Å; L134-L138 PolarHBondContact O-N 3.09Å; F135-L138 WeakPolarHBondContact O-CB 3.33Å; F135-L138 PolarHBondContact O-N 3.3Å; L136-L138 VanDerWaalsContact C-N 3.35Å; L138-F140 VanDerWaalsContact C-N 3.3Å; L138-F140 PolarHBondContact O-N 3.23Å; L138-T142 VanDerWaalsContact O-CB 3.24Å; L138-T142 WeakPolarHBondContact O-CB 3.27Å; L138-T142 PolarHBondContact O-N 2.91Å; L138-T142 PolarHBondContact O-OG1 3.23Å
139C97.4Very high96.3Very high0 Ų022.3 Ų22.30%011%0.112CC..Hα-helixtrans-59.6-41.6177.8-68.30000112.2F135 L136 Q137 Q143 I194 F198F135-C139 PolarHBondContact O-N 3.39Å; F135-C139 PolarHBondContact O-SG 2.94Å; F135-C139 VanDerWaalsContact O-SG 3.33Å; L136-C139 PolarHBondContact O-N 3.25Å; Q137-C139 PolarHBondContact O-N 3.41Å; C139-Q143 WeakPolarHBondContact O-CG 3.37Å; C139-Q143 PolarHBondContact O-N 3.41Å; C139-Q143 VanDerWaalsContact O-N 3.16Å; C139-Q143 PolarHBondContact O-NE2 2.87Å; C139-I194 HydrophobicContact CB-CD1 4.09Å; C139-I194 HydrophobicContact CB-CG1 4.07Å; C139-I194 VanDerWaalsContact SG-CD1 3.56Å; C139-F198 HydrophobicContact CB-CB 3.97Å; C139-F198 HydrophobicContact CB-CD2 3.42Å; C139-F198 VanDerWaalsContact CB-CD2 3.42Å; C139-F198 HydrophobicContact CB-CE2 4.17Å; C139-F198 HydrophobicContact CB-CG 3.98Å
140F96.9Very high96.5Very high60 Ų6022.1 Ų22.126%0.26311%0.112SC..Hα-helixtrans-66.9-51-179.8177.7-103.9000112.5L136 Q137 L138 T142 Q143 I144 F198 F246L136-F140 WeakPolarHBondContact O-CB 3.45Å; L136-F140 PolarHBondContact O-N 3.27Å; Q137-F140 PolarHBondContact O-N 3.28Å; L138-F140 VanDerWaalsContact C-N 3.3Å; L138-F140 PolarHBondContact O-N 3.23Å; F140-T142 VanDerWaalsContact C-N 3.35Å; F140-T142 PolarHBondContact O-N 3.11Å; F140-Q143 WeakPolarHBondContact O-CB 3.48Å; F140-Q143 PolarHBondContact O-N 3.06Å; F140-I144 HydrophobicContact CD1-CD1 3.91Å; F140-I144 HydrophobicContact CE1-CD1 3.33Å; F140-I144 HydrophobicContact CE2-CD1 4.1Å; F140-I144 HydrophobicContact CZ-CD1 3.46Å; F140-I144 VanDerWaalsContact CZ-CD1 3.46Å; F140-I144 HydrophobicContact CZ-CG1 4.47Å; F140-I144 PolarHBondContact O-N 2.89Å; F140-I144 VanDerWaalsContact O-N 3.11Å; F140-F198 HydrophobicContact CB-CZ 4.37Å; F140-F246 HydrophobicContact CD1-CD1 4.14Å; F140-F246 HydrophobicContact CD2-CE1 4.39Å; F140-F246 AromaticContact CE1-CD1 3.75Å; F140-F246 HydrophobicContact CE1-CD1 3.75Å; F140-F246 HydrophobicContact CE1-CE1 4.31Å; F140-F246 HydrophobicContact CE2-CD1 4.32Å; F140-F246 HydrophobicContact CE2-CE1 4.06Å; F140-F246 AromaticContact CZ-CD1 3.83Å; F140-F246 HydrophobicContact CZ-CD1 3.83Å; F140-F246 AromaticContact CZ-CE1 4Å; F140-F246 HydrophobicContact CZ-CE1 4Å
141Y97.4Very high96.7Very high15 Ų1524.8 Ų24.86%0.05913%0.125CC..Hα-helixtrans-69.5-33-179.2-68.2-60.9000112.9F59 Q137 Q143 I144 L145 F246 P248F59-Y141 HydrophobicContact CB-CD1 3.77Å; F59-Y141 HydrophobicContact CB-CD2 4.18Å; F59-Y141 HydrophobicContact CB-CE1 3.9Å; F59-Y141 HydrophobicContact CB-CE2 4.28Å; F59-Y141 HydrophobicContact CB-CG 3.92Å; F59-Y141 HydrophobicContact CD2-CD1 4.31Å; F59-Y141 AromaticContact CD2-CE1 3.79Å; F59-Y141 HydrophobicContact CD2-CE1 3.79Å; F59-Y141 HydrophobicContact CG-CE1 4.23Å; Q137-Y141 HydrophobicContact CB-CD2 4.36Å; Q137-Y141 HydrophobicContact CB-CE2 4.22Å; Q137-Y141 WeakPolarHBondContact O-CD2 3.36Å; Q137-Y141 PolarHBondContact O-N 2.68Å; Y141-Q143 VanDerWaalsContact C-N 3.32Å; Y141-Q143 PolarHBondContact O-N 3.35Å; Y141-I144 HydrophobicContact CD1-CD1 4.48Å; Y141-I144 PolarHBondContact O-N 3.27Å; Y141-L145 WeakPolarHBondContact O-CB 3.42Å; Y141-L145 PolarHBondContact O-N 3.32Å; Y141-F246 PolarHBondContact OH-O 3.35Å; Y141-P248 WeakPolarHBondContact OH-CD 3.49Å
142T97.6Very high96.7Very high20 Ų2025.4 Ų25.412%0.12313%0.128CC..Hα-helixtrans-62.2-40.5172.5-56.90000111.2L138 F140 S146 I190 I194L138-T142 VanDerWaalsContact O-CB 3.24Å; L138-T142 WeakPolarHBondContact O-CB 3.27Å; L138-T142 PolarHBondContact O-N 2.91Å; L138-T142 PolarHBondContact O-OG1 3.23Å; F140-T142 VanDerWaalsContact C-N 3.35Å; F140-T142 PolarHBondContact O-N 3.11Å; T142-S146 VanDerWaalsContact O-CB 3.24Å; T142-S146 WeakPolarHBondContact O-CB 3.3Å; T142-S146 PolarHBondContact O-N 3.48Å; T142-S146 PolarHBondContact O-OG 3.01Å; T142-I190 HydrophobicContact CG2-CG2 3.59Å; T142-I194 HydrophobicContact CG2-CB 4.36Å; T142-I194 HydrophobicContact CG2-CG1 4.09Å; T142-I194 HydrophobicContact CG2-CG2 4.27Å
143Q97.5Very high96.6Very high39 Ų3924.6 Ų24.618%0.18213%0.125CC..Hα-helixtrans-63.6-43.7175.3-77.7169.273.100112.3C139 F140 Y141 S147 L191 I194 F198C139-Q143 WeakPolarHBondContact O-CG 3.37Å; C139-Q143 PolarHBondContact O-N 3.41Å; C139-Q143 VanDerWaalsContact O-N 3.16Å; C139-Q143 PolarHBondContact O-NE2 2.87Å; F140-Q143 WeakPolarHBondContact O-CB 3.48Å; F140-Q143 PolarHBondContact O-N 3.06Å; Y141-Q143 VanDerWaalsContact C-N 3.32Å; Y141-Q143 PolarHBondContact O-N 3.35Å; Q143-S147 VanDerWaalsContact O-CB 3.23Å; Q143-S147 WeakPolarHBondContact O-CB 3.11Å; Q143-S147 PolarHBondContact O-N 3.03Å; Q143-S147 PolarHBondContact O-OG 3.3Å; Q143-L191 HydrophobicContact CB-CD1 4.32Å; Q143-L191 HydrophobicContact CG-CD1 4.17Å; Q143-I194 HydrophobicContact CG-CG2 3.47Å; Q143-I194 VanDerWaalsContact CG-CG2 3.47Å; Q143-F198 VanDerWaalsContact NE2-CB 3.3Å
144I97.6Very high96.5Very high60 Ų6029.2 Ų29.231%0.30815%0.146SC..Hα-helixtrans-61.6-51.4177.6-69.4174000110.1C56 F140 Y141 S146 S147 Y148C56-I144 HydrophobicContact CB-CG2 4.39Å; F140-I144 HydrophobicContact CD1-CD1 3.91Å; F140-I144 HydrophobicContact CE1-CD1 3.33Å; F140-I144 HydrophobicContact CE2-CD1 4.1Å; F140-I144 HydrophobicContact CZ-CD1 3.46Å; F140-I144 VanDerWaalsContact CZ-CD1 3.46Å; F140-I144 HydrophobicContact CZ-CG1 4.47Å; F140-I144 PolarHBondContact O-N 2.89Å; F140-I144 VanDerWaalsContact O-N 3.11Å; Y141-I144 HydrophobicContact CD1-CD1 4.48Å; Y141-I144 PolarHBondContact O-N 3.27Å; I144-S146 PolarHBondContact O-N 3.48Å; I144-S147 PolarHBondContact O-N 3.31Å; I144-Y148 WeakPolarHBondContact O-CB 3.45Å; I144-Y148 PolarHBondContact O-N 3.38Å
145L97.9Very high96.3Very high12 Ų1230.5 Ų30.56%0.06316%0.155CC..Hα-helixtrans-63.8-41.1-178.3-17863.4000112.3Y53 C56 C60 Y141 Y148 T149Y53-L145 HydrophobicContact CD2-CD1 4.38Å; Y53-L145 HydrophobicContact CE2-CD1 3.94Å; C56-L145 HydrophobicContact CB-CD1 4.19Å; C60-L145 HydrophobicContact CB-CD2 3.82Å; Y141-L145 WeakPolarHBondContact O-CB 3.42Å; Y141-L145 PolarHBondContact O-N 3.32Å; L145-Y148 PolarHBondContact O-N 3.08Å; L145-T149 WeakPolarHBondContact O-CB 3.33Å; L145-T149 PolarHBondContact O-N 2.88Å; L145-T149 PolarHBondContact O-OG1 2.96Å
146S97.7Very high95.9Very high11 Ų1130.4 Ų30.48%0.07716%0.155CC..Hα-helixtrans-67.5-44.4178.8-54.90000111.2T142 I144 Y148 T149 L150 I190T142-S146 VanDerWaalsContact O-CB 3.24Å; T142-S146 WeakPolarHBondContact O-CB 3.3Å; T142-S146 PolarHBondContact O-N 3.48Å; T142-S146 PolarHBondContact O-OG 3.01Å; I144-S146 PolarHBondContact O-N 3.48Å; S146-Y148 PolarHBondContact O-N 3.11Å; S146-T149 PolarHBondContact O-N 2.73Å; S146-L150 WeakPolarHBondContact O-CB 3.32Å; S146-L150 WeakPolarHBondContact O-CG 3.24Å; S146-L150 PolarHBondContact O-N 2.93Å; S146-I190 WeakPolarHBondContact OG-CG2 3.41Å
147S98.3Very high95.4Very high44 Ų4435.2 Ų35.231%0.30817%0.173SC..Hα-helixtrans-61.6-43.9175-58.80000111.6Q143 I144 L150 I151Q143-S147 VanDerWaalsContact O-CB 3.23Å; Q143-S147 WeakPolarHBondContact O-CB 3.11Å; Q143-S147 PolarHBondContact O-N 3.03Å; Q143-S147 PolarHBondContact O-OG 3.3Å; I144-S147 PolarHBondContact O-N 3.31Å; S147-L150 PolarHBondContact O-N 3.39Å; S147-I151 WeakPolarHBondContact O-CD1 3.32Å; S147-I151 VanDerWaalsContact O-CG1 3.23Å; S147-I151 WeakPolarHBondContact O-CG1 3.25Å; S147-I151 PolarHBondContact O-N 3.5Å
148Y97.9Very high94.9Very high51 Ų5142 Ų4220%0.220%0.2CC..Hα-helixtrans-60.8-49.4177.2-162.2163.1000110.3A49 C52 Y53 I144 L145 S146 L150 I151 L152A49-Y148 WeakPolarHBondContact CA-OH 3.44Å; A49-Y148 PolarHBondContact O-OH 3.48Å; C52-Y148 HydrophobicContact CB-CE1 4.16Å; Y53-Y148 HydrophobicContact CD2-CD1 4.21Å; Y53-Y148 HydrophobicContact CD2-CD2 4.44Å; Y53-Y148 HydrophobicContact CD2-CE1 4.42Å; Y53-Y148 HydrophobicContact CD2-CG 4.22Å; I144-Y148 WeakPolarHBondContact O-CB 3.45Å; I144-Y148 PolarHBondContact O-N 3.38Å; L145-Y148 PolarHBondContact O-N 3.08Å; S146-Y148 PolarHBondContact O-N 3.11Å; Y148-L150 VanDerWaalsContact C-N 3.35Å; Y148-L150 PolarHBondContact O-N 3.31Å; Y148-I151 PolarHBondContact O-N 2.83Å; Y148-L152 HydrophobicContact CD2-CD1 3.75Å; Y148-L152 HydrophobicContact CD2-CD2 4.45Å; Y148-L152 HydrophobicContact CD2-CG 3.8Å; Y148-L152 HydrophobicContact CE2-CD1 3.72Å; Y148-L152 HydrophobicContact CE2-CD2 3.97Å; Y148-L152 HydrophobicContact CE2-CG 3.79Å; Y148-L152 WeakPolarHBondContact O-CG 3.08Å; Y148-L152 PolarHBondContact O-N 3.47Å
149T96.8Very high94.2Very high5 Ų548.9 Ų48.93%0.03123%0.226CC..Hα-helixtrans-58-45.5178.2-57.60000111.9I31 L145 S146 I151 L152 D153I31-T149 HydrophobicContact CD1-CG2 3.76Å; I31-T149 HydrophobicContact CG1-CG2 3.76Å; L145-T149 WeakPolarHBondContact O-CB 3.33Å; L145-T149 PolarHBondContact O-N 2.88Å; L145-T149 PolarHBondContact O-OG1 2.96Å; S146-T149 PolarHBondContact O-N 2.73Å; T149-I151 PolarHBondContact O-N 3.33Å; T149-L152 WeakPolarHBondContact O-CB 3.31Å; T149-L152 PolarHBondContact O-N 2.94Å; T149-D153 PolarHBondContact O-N 2.71Å
150L97.1Very high93.3Very high29 Ų2951.3 Ų51.315%0.15224%0.237CC..Hα-helixtrans-64.3-36.9177.7-73.3170.4000113.3S146 S147 Y148 F154 A184 L188 L191S146-L150 WeakPolarHBondContact O-CB 3.32Å; S146-L150 WeakPolarHBondContact O-CG 3.24Å; S146-L150 PolarHBondContact O-N 2.93Å; S147-L150 PolarHBondContact O-N 3.39Å; Y148-L150 VanDerWaalsContact C-N 3.35Å; Y148-L150 PolarHBondContact O-N 3.31Å; L150-F154 VanDerWaalsContact O-CB 3.29Å; L150-F154 WeakPolarHBondContact O-CB 3.21Å; L150-F154 PolarHBondContact O-N 3.38Å; L150-A184 HydrophobicContact CD2-CB 4.31Å; L150-L188 HydrophobicContact CD1-CD2 4.06Å; L150-L188 HydrophobicContact CD1-CG 4.46Å; L150-L188 HydrophobicContact CD2-CD2 4.33Å; L150-L188 HydrophobicContact CD2-CG 4.05Å; L150-L191 HydrophobicContact CD1-CB 4.31Å; L150-L191 HydrophobicContact CD1-CD2 3.67Å
151I96.1Very high92.1Very high102 Ų10250.2 Ų50.252%0.52323%0.233SC..Hα-helixtrans-64.9-43.1174.3-69.7163.5000110S147 Y148 T149 F154 C155S147-I151 WeakPolarHBondContact O-CD1 3.32Å; S147-I151 VanDerWaalsContact O-CG1 3.23Å; S147-I151 WeakPolarHBondContact O-CG1 3.25Å; S147-I151 PolarHBondContact O-N 3.5Å; Y148-I151 PolarHBondContact O-N 2.83Å; T149-I151 PolarHBondContact O-N 3.33Å; I151-F154 PolarHBondContact O-N 3.49Å; I151-C155 WeakPolarHBondContact O-CB 3.29Å; I151-C155 PolarHBondContact O-N 2.96Å; I151-C155 PolarHBondContact O-SG 3.34Å
152L94.6Very high90.3Very high13 Ų1354.6 Ų54.67%0.06826%0.263CS..Hα-helixtrans-63.1-46.3176.4-70.3172.6000111.6I31 I35 L36 Y53 Y148 T149 F154 C155 H156I31-L152 HydrophobicContact CG2-CB 4.43Å; I31-L152 HydrophobicContact CG2-CD1 3.64Å; I35-L152 HydrophobicContact CD1-CB 4.05Å; I35-L152 HydrophobicContact CG2-CB 4.34Å; I35-L152 HydrophobicContact CG2-CD2 4.32Å; L36-L152 HydrophobicContact CD1-CD1 4.44Å; L36-L152 HydrophobicContact CD2-CD1 3.78Å; L36-L152 HydrophobicContact CD2-CD2 3.8Å; L36-L152 HydrophobicContact CD2-CG 4.47Å; L36-L152 HydrophobicContact CG-CD1 4.24Å; Y53-L152 HydrophobicContact CD2-CD1 3.9Å; Y53-L152 HydrophobicContact CE2-CD1 4.1Å; Y148-L152 HydrophobicContact CD2-CD1 3.75Å; Y148-L152 HydrophobicContact CD2-CD2 4.45Å; Y148-L152 HydrophobicContact CD2-CG 3.8Å; Y148-L152 HydrophobicContact CE2-CD1 3.72Å; Y148-L152 HydrophobicContact CE2-CD2 3.97Å; Y148-L152 HydrophobicContact CE2-CG 3.79Å; Y148-L152 WeakPolarHBondContact O-CG 3.08Å; Y148-L152 PolarHBondContact O-N 3.47Å; T149-L152 WeakPolarHBondContact O-CB 3.31Å; T149-L152 PolarHBondContact O-N 2.94Å; L152-F154 VanDerWaalsContact C-N 3.31Å; L152-F154 PolarHBondContact O-N 3.16Å; L152-C155 PolarHBondContact O-N 2.95Å; L152-H156 VanDerWaalsContact O-CB 3.27Å; L152-H156 WeakPolarHBondContact O-CB 3.02Å; L152-H156 PolarHBondContact O-N 3.16Å
153D93.4Very high88.2Confident10 Ų1060.2 Ų60.25%0.05329%0.292CS..Hα-helixtrans-58.3-44.6176.4-74.3-13.9000111I31 T149 Y157 L180 S183 A184I31-D153 WeakPolarHBondContact CD1-OD1 3.34Å; T149-D153 PolarHBondContact O-N 2.71Å; D153-Y157 VanDerWaalsContact O-CB 3.25Å; D153-Y157 WeakPolarHBondContact O-CB 3.48Å; D153-Y157 PolarHBondContact O-N 3.44Å; D153-L180 WeakPolarHBondContact OD1-CD2 3.35Å; D153-S183 WeakPolarHBondContact OD2-CB 3.38Å; D153-S183 PolarHBondContact OD2-OG 3.26Å; D153-A184 PolarHBondContact OD2-N 3.48Å
154F92.3Very high86.3Confident105 Ų10568 Ų6846%0.46133%0.325SS..Hα-helixtrans-63.5-49.7176.1179.6-92.5000111.9L150 I151 L152 H156 Y157 Y158 Y159L150-F154 VanDerWaalsContact O-CB 3.29Å; L150-F154 WeakPolarHBondContact O-CB 3.21Å; L150-F154 PolarHBondContact O-N 3.38Å; I151-F154 PolarHBondContact O-N 3.49Å; L152-F154 VanDerWaalsContact C-N 3.31Å; L152-F154 PolarHBondContact O-N 3.16Å; F154-H156 VanDerWaalsContact C-N 3.32Å; F154-H156 PolarHBondContact O-N 3.02Å; F154-Y157 PolarHBondContact O-N 3.21Å; F154-Y158 HydrophobicContact CD1-CD2 4.31Å; F154-Y158 AromaticContact CD2-CD2 3.45Å; F154-Y158 HydrophobicContact CD2-CD2 3.45Å; F154-Y158 VanDerWaalsContact CD2-CD2 3.45Å; F154-Y158 AromaticContact CD2-CE2 3.41Å; F154-Y158 HydrophobicContact CD2-CE2 3.41Å; F154-Y158 VanDerWaalsContact CD2-CE2 3.41Å; F154-Y158 HydrophobicContact CE1-CD2 4.22Å; F154-Y158 AromaticContact CE2-CD2 3.33Å; F154-Y158 HydrophobicContact CE2-CD2 3.33Å; F154-Y158 AromaticContact CE2-CE2 3.25Å; F154-Y158 HydrophobicContact CE2-CE2 3.25Å; F154-Y158 HydrophobicContact CE2-CG 4.36Å; F154-Y158 AromaticContact CG-CD2 3.94Å; F154-Y158 HydrophobicContact CG-CD2 3.94Å; F154-Y158 HydrophobicContact CG-CE2 4.32Å; F154-Y158 AromaticContact CZ-CD2 3.74Å; F154-Y158 HydrophobicContact CZ-CD2 3.74Å; F154-Y158 HydrophobicContact CZ-CE2 4.07Å; F154-Y158 HydrophobicContact CZ-CG 4.42Å; F154-Y158 WeakPolarHBondContact O-CD2 3.41Å; F154-Y158 PolarHBondContact O-N 3.25Å; F154-Y159 HydrophobicContact CD1-CE2 4.44Å; F154-Y159 AromaticContact CE1-CE2 3.9Å; F154-Y159 HydrophobicContact CE1-CE2 3.9Å
155C90.9Very high84.2Confident37 Ų3773.9 Ų73.925%0.2535%0.348CS..Hα-helixtrans-60.1-44.5179.6-76.50000111.4I151 L152 Y159 F160I151-C155 WeakPolarHBondContact O-CB 3.29Å; I151-C155 PolarHBondContact O-N 2.96Å; I151-C155 PolarHBondContact O-SG 3.34Å; L152-C155 PolarHBondContact O-N 2.95Å; C155-Y159 WeakPolarHBondContact O-CB 3.36Å; C155-Y159 PolarHBondContact O-N 3.49Å; C155-F160 HydrophobicContact CB-CD2 4.42Å; C155-F160 HydrophobicContact CB-CE2 4.02Å; C155-F160 PolarHBondContact O-N 2.96Å
156H88.1Confident82.3Confident3 Ų378.9 Ų78.91%0.01438%0.375CS..Iπ-helixtrans-63.5-48178.7-17987.3000111.6I35 H39 L152 F154 Y158 F160 L161 E176 L180I35-H156 HydrophobicContact CD1-CB 3.81Å; I35-H156 HydrophobicContact CG1-CB 3.98Å; I35-H156 HydrophobicContact CG2-CB 4.06Å; H39-H156 AromaticContact CD2-ND1 3.94Å; H39-H156 AromaticContact NE2-ND1 3.61Å; L152-H156 VanDerWaalsContact O-CB 3.27Å; L152-H156 WeakPolarHBondContact O-CB 3.02Å; L152-H156 PolarHBondContact O-N 3.16Å; F154-H156 VanDerWaalsContact C-N 3.32Å; F154-H156 PolarHBondContact O-N 3.02Å; H156-Y158 PolarHBondContact O-N 3.35Å; H156-F160 HydrophobicContact CB-CD2 4.26Å; H156-F160 PolarHBondContact O-N 3.46Å; H156-L161 WeakPolarHBondContact O-CB 3.36Å; H156-L161 PolarHBondContact O-N 2.99Å; H156-E176 IonicContact CE1-OE1 3.36Å; H156-E176 PolarHBondContact CE1-OE1 3.36Å; H156-E176 IonicContact NE2-OE1 3.68Å; H156-E176 PolarHBondContact NE2-OE1 2.91Å; H156-L180 WeakPolarHBondContact CD2-CD1 3.3Å
157Y86.3Confident80.4Confident103 Ų10385.3 Ų85.340%0.40441%0.409SS..Iπ-helixtrans-62-40.6-179.3-173-92.6000113.7D153 F154 L177D153-Y157 VanDerWaalsContact O-CB 3.25Å; D153-Y157 WeakPolarHBondContact O-CB 3.48Å; D153-Y157 PolarHBondContact O-N 3.44Å; F154-Y157 PolarHBondContact O-N 3.21Å; Y157-L177 HydrophobicContact CD2-CD2 3.91Å; Y157-L177 HydrophobicContact CE2-CD2 3.98Å
158Y84.9Confident78.2Confident148 Ų14894.5 Ų94.558%0.5844%0.437SS*.Iπ-helixtrans-97.8-30.1-171.9-73.5-73.4000115.1F154 H156F154-Y158 HydrophobicContact CD1-CD2 4.31Å; F154-Y158 AromaticContact CD2-CD2 3.45Å; F154-Y158 HydrophobicContact CD2-CD2 3.45Å; F154-Y158 VanDerWaalsContact CD2-CD2 3.45Å; F154-Y158 AromaticContact CD2-CE2 3.41Å; F154-Y158 HydrophobicContact CD2-CE2 3.41Å; F154-Y158 VanDerWaalsContact CD2-CE2 3.41Å; F154-Y158 HydrophobicContact CE1-CD2 4.22Å; F154-Y158 AromaticContact CE2-CD2 3.33Å; F154-Y158 HydrophobicContact CE2-CD2 3.33Å; F154-Y158 AromaticContact CE2-CE2 3.25Å; F154-Y158 HydrophobicContact CE2-CE2 3.25Å; F154-Y158 HydrophobicContact CE2-CG 4.36Å; F154-Y158 AromaticContact CG-CD2 3.94Å; F154-Y158 HydrophobicContact CG-CD2 3.94Å; F154-Y158 HydrophobicContact CG-CE2 4.32Å; F154-Y158 AromaticContact CZ-CD2 3.74Å; F154-Y158 HydrophobicContact CZ-CD2 3.74Å; F154-Y158 HydrophobicContact CZ-CE2 4.07Å; F154-Y158 HydrophobicContact CZ-CG 4.42Å; F154-Y158 WeakPolarHBondContact O-CD2 3.41Å; F154-Y158 PolarHBondContact O-N 3.25Å; H156-Y158 PolarHBondContact O-N 3.35Å
159Y82.4Confident76.4Confident160 Ų16096.3 Ų96.363%0.62745%0.45SS*.Iπ-helixtrans-116.5-40.8-170.8-60.6-85.9000113.2F154 C155F154-Y159 HydrophobicContact CD1-CE2 4.44Å; F154-Y159 AromaticContact CE1-CE2 3.9Å; F154-Y159 HydrophobicContact CE1-CE2 3.9Å; C155-Y159 WeakPolarHBondContact O-CB 3.36Å; C155-Y159 PolarHBondContact O-N 3.49Å
160F77.3Confident75Confident51 Ų5198.2 Ų98.222%0.22446%0.462CS..Iπ-helixtrans-88.6-10.8-174.4-61.8-39.4000114.7H39 H44 I45 C155 H156 P162H39-F160 AromaticContact CD2-CD2 3.84Å; H39-F160 WeakPolarHBondContact CE1-CB 3.47Å; H39-F160 AromaticContact CE1-CG 3.65Å; H39-F160 AromaticContact CG-CD2 3.84Å; H39-F160 AromaticContact CG-CG 3.93Å; H39-F160 AromaticContact ND1-CD1 3.72Å; H39-F160 AromaticContact ND1-CG 3.6Å; H39-F160 WeakPolarHBondContact NE2-CB 3.42Å; H39-F160 AromaticContact NE2-CG 3.86Å; H44-F160 HydrophobicContact CB-CD1 4.5Å; H44-F160 HydrophobicContact CB-CE1 3.83Å; H44-F160 HydrophobicContact CB-CZ 4.31Å; I45-F160 HydrophobicContact CD1-CE2 4.25Å; I45-F160 HydrophobicContact CG1-CZ 4.42Å; C155-F160 HydrophobicContact CB-CD2 4.42Å; C155-F160 HydrophobicContact CB-CE2 4.02Å; C155-F160 PolarHBondContact O-N 2.96Å; H156-F160 HydrophobicContact CB-CD2 4.26Å; H156-F160 PolarHBondContact O-N 3.46Å; F160-P162 WeakPolarHBondContact O-CD 3.44Å
161L72Confident73.6Confident37 Ų37103.4 Ų103.419%0.19448%0.483CS..  trans-109.955.4179.7-153.170.3000112.6H156 L163 Y173 L177H156-L161 WeakPolarHBondContact O-CB 3.36Å; H156-L161 PolarHBondContact O-N 2.99Å; L161-L163 PolarHBondContact O-N 3.45Å; L161-L163 VanDerWaalsContact O-N 3.08Å; L161-Y173 HydrophobicContact CD1-CD2 4.39Å; L161-Y173 HydrophobicContact CD1-CE2 4.08Å; L161-Y173 HydrophobicContact CD2-CD2 4.23Å; L161-Y173 HydrophobicContact CD2-CE2 3.4Å; L161-Y173 HydrophobicContact CG-CD2 4.49Å; L161-Y173 HydrophobicContact CG-CE2 3.72Å; L161-L177 HydrophobicContact CD2-CD2 3.62Å; L161-L177 HydrophobicContact CD2-CG 4.31Å
162P58.7Low72.5Confident106 Ų106102.9 Ų102.969%0.68848%0.484SS*.  trans-71108.5172.629.4-29.5000109.3F160 K164F160-P162 WeakPolarHBondContact O-CD 3.44Å; P162-K164 PolarHBondContact O-N 2.94Å
163L54.9Low71.6Confident138 Ų138105.5 Ų105.572%0.72349%0.494SS*.  trans-41.1101.7-180-67.7158.1000113.7L161 Y173L161-L163 PolarHBondContact O-N 3.45Å; L161-L163 VanDerWaalsContact O-N 3.08Å; L163-Y173 HydrophobicContact CD2-CE1 4.46Å; L163-Y173 HydrophobicContact CD2-CE2 4.45Å; L163-Y173 WeakPolarHBondContact CD2-OH 3.39Å
164K56.9Low70.8Confident203 Ų203113.3 Ų113.388%0.88352%0.523SS*.  trans-112.8129.7153.6-96.8-177.2176.7179.30108.7P162P162-K164 PolarHBondContact O-N 2.94Å
165K53.8Low70.3Confident183 Ų183112.6 Ų112.680%0.79652%0.521SS*.  trans-108102.4-161.9-164.2-175.1-170.6-175.20108.9
166D57.8Low69.9Low117 Ų117113 Ų11363%0.62652%0.519SS*.  trans-121150163-91-37.5000111.7W168 D169D166-W168 VanDerWaalsContact C-N 3.29Å; D166-W168 PolarHBondContact O-N 2.97Å; D166-W168 VanDerWaalsContact O-N 3.14Å; D166-D169 WeakPolarHBondContact CB-OD2 3.34Å; D166-D169 WeakPolarHBondContact O-CB 3.5Å; D166-D169 PolarHBondContact O-N 3.34Å; D166-D169 VanDerWaalsContact O-N 3.11Å
167N57.4Low69.8Low146 Ų146113.4 Ų113.478%0.78152%0.521SS*.THydrogen-bonded Turntrans-73.1-7-155.1-82.4-34.5000116.2
168W53.2Low69.9Low237 Ų237110.5 Ų110.590%0.89852%0.518SS*.THydrogen-bonded Turntrans-100-18.3171.8-73.198.4000113.2D166 V170D166-W168 VanDerWaalsContact C-N 3.29Å; D166-W168 PolarHBondContact O-N 2.97Å; D166-W168 VanDerWaalsContact O-N 3.14Å; W168-V170 VanDerWaalsContact C-N 3.32Å; W168-V170 PolarHBondContact O-N 3.16Å
169D60.2Low70.1Confident90 Ų90106.6 Ų106.648%0.48151%0.507SS..Hα-helixtrans-73.2-26.4179.3-58.7-45.8000111.7D166 F171 V172 Y173D166-D169 WeakPolarHBondContact CB-OD2 3.34Å; D166-D169 WeakPolarHBondContact O-CB 3.5Å; D166-D169 PolarHBondContact O-N 3.34Å; D166-D169 VanDerWaalsContact O-N 3.11Å; D169-F171 PolarHBondContact O-N 2.96Å; D169-V172 PolarHBondContact O-N 3.21Å; D169-Y173 WeakPolarHBondContact O-CA 3.2Å; D169-Y173 WeakPolarHBondContact O-CB 3.41Å; D169-Y173 PolarHBondContact O-N 3.48Å
170V67.2Low70.5Confident45 Ų4599.4 Ų99.427%0.27348%0.479SS..Hα-helixtrans-61.2-39-170.2-177.90000113.4W168 R174W168-V170 VanDerWaalsContact C-N 3.32Å; W168-V170 PolarHBondContact O-N 3.16Å; V170-R174 VanDerWaalsContact O-CB 3.32Å; V170-R174 WeakPolarHBondContact O-CB 3.42Å; V170-R174 WeakPolarHBondContact O-CD 3.47Å; V170-R174 WeakPolarHBondContact O-CG 3.23Å; V170-R174 PolarHBondContact O-N 2.88Å
171F68.1Low71.2Confident138 Ų138104 Ų10461%0.60550%0.495SS*.Hα-helixtrans-70.7-51.6178.2177.4-89.5000111D169 Y173 R174 H175D169-F171 PolarHBondContact O-N 2.96Å; F171-Y173 VanDerWaalsContact C-N 3.33Å; F171-Y173 PolarHBondContact O-N 3.33Å; F171-R174 PolarHBondContact O-N 3.04Å; F171-H175 AromaticContact CD1-CE1 3.93Å; F171-H175 AromaticContact CD1-ND1 3.66Å; F171-H175 AromaticContact CD2-CE1 3.46Å; F171-H175 VanDerWaalsContact CD2-CE1 3.46Å; F171-H175 WeakPolarHBondContact CD2-CE1 3.28Å; F171-H175 AromaticContact CD2-ND1 3.84Å; F171-H175 AromaticContact CE1-CE1 3.52Å; F171-H175 AromaticContact CE1-ND1 3.53Å; F171-H175 AromaticContact CE2-CE1 3.02Å; F171-H175 WeakPolarHBondContact CE2-CE1 3.47Å; F171-H175 AromaticContact CE2-ND1 3.76Å; F171-H175 AromaticContact CE2-NE2 3.77Å; F171-H175 AromaticContact CG-CE1 3.91Å; F171-H175 AromaticContact CG-ND1 3.81Å; F171-H175 AromaticContact CZ-CE1 3.04Å; F171-H175 WeakPolarHBondContact CZ-CE1 3.47Å; F171-H175 AromaticContact CZ-ND1 3.59Å; F171-H175 AromaticContact CZ-NE2 3.47Å; F171-H175 WeakPolarHBondContact CZ-NE2 3.39Å; F171-H175 PolarHBondContact O-N 3.37Å; F171-H175 PolarHBondContact O-ND1 2.81Å
172V72.3Confident72.2Confident90 Ų90105.9 Ų105.955%0.54551%0.505SS..Hα-helixtrans-60.2-46.4-179.7177.80000110.1D169 R174 H175 E176D169-V172 PolarHBondContact O-N 3.21Å; V172-R174 PolarHBondContact O-N 3.47Å; V172-H175 PolarHBondContact O-N 3.38Å; V172-H175 VanDerWaalsContact O-N 3.12Å; V172-E176 WeakPolarHBondContact O-CB 3.24Å; V172-E176 PolarHBondContact O-N 3.03Å
173Y75.2Confident73.9Confident68 Ų68100.9 Ų100.927%0.26747%0.472SS..Hα-helixtrans-55.6-46173.7176-98.6000113.2L161 L163 D169 F171 H175 E176 L177L161-Y173 HydrophobicContact CD1-CD2 4.39Å; L161-Y173 HydrophobicContact CD1-CE2 4.08Å; L161-Y173 HydrophobicContact CD2-CD2 4.23Å; L161-Y173 HydrophobicContact CD2-CE2 3.4Å; L161-Y173 HydrophobicContact CG-CD2 4.49Å; L161-Y173 HydrophobicContact CG-CE2 3.72Å; L163-Y173 HydrophobicContact CD2-CE1 4.46Å; L163-Y173 HydrophobicContact CD2-CE2 4.45Å; L163-Y173 WeakPolarHBondContact CD2-OH 3.39Å; D169-Y173 WeakPolarHBondContact O-CA 3.2Å; D169-Y173 WeakPolarHBondContact O-CB 3.41Å; D169-Y173 PolarHBondContact O-N 3.48Å; F171-Y173 VanDerWaalsContact C-N 3.33Å; F171-Y173 PolarHBondContact O-N 3.33Å; Y173-H175 VanDerWaalsContact C-N 3.31Å; Y173-H175 PolarHBondContact O-N 3.03Å; Y173-E176 PolarHBondContact O-N 2.85Å; Y173-L177 HydrophobicContact CD1-CD1 3.94Å; Y173-L177 HydrophobicContact CE1-CD1 3.29Å; Y173-L177 HydrophobicContact CE1-CG 4.21Å; Y173-L177 HydrophobicContact CE2-CD1 4.13Å; Y173-L177 HydrophobicContact CE2-CG 4.35Å; Y173-L177 WeakPolarHBondContact O-CB 3.18Å; Y173-L177 WeakPolarHBondContact O-CG 3.36Å; Y173-L177 PolarHBondContact O-N 3.49Å
174R76.8Confident75.9Confident174 Ų17495.6 Ų95.666%0.65745%0.449SS*.Hα-helixtrans-63.7-38.1177-79.2173.6-177.2-164.33111.9V170 F171 V172 A178V170-R174 VanDerWaalsContact O-CB 3.32Å; V170-R174 WeakPolarHBondContact O-CB 3.42Å; V170-R174 WeakPolarHBondContact O-CD 3.47Å; V170-R174 WeakPolarHBondContact O-CG 3.23Å; V170-R174 PolarHBondContact O-N 2.88Å; F171-R174 PolarHBondContact O-N 3.04Å; V172-R174 PolarHBondContact O-N 3.47Å; R174-A178 VanDerWaalsContact O-CB 3.29Å; R174-A178 WeakPolarHBondContact O-CB 3.15Å; R174-A178 PolarHBondContact O-N 3.45Å
175H81.6Confident77.7Confident90 Ų9092.5 Ų92.542%0.41744%0.436SS..Hα-helixtrans-71.2-44.8178-73.973.1000111.3F171 V172 Y173 A178 L179F171-H175 AromaticContact CD1-CE1 3.93Å; F171-H175 AromaticContact CD1-ND1 3.66Å; F171-H175 AromaticContact CD2-CE1 3.46Å; F171-H175 VanDerWaalsContact CD2-CE1 3.46Å; F171-H175 WeakPolarHBondContact CD2-CE1 3.28Å; F171-H175 AromaticContact CD2-ND1 3.84Å; F171-H175 AromaticContact CE1-CE1 3.52Å; F171-H175 AromaticContact CE1-ND1 3.53Å; F171-H175 AromaticContact CE2-CE1 3.02Å; F171-H175 WeakPolarHBondContact CE2-CE1 3.47Å; F171-H175 AromaticContact CE2-ND1 3.76Å; F171-H175 AromaticContact CE2-NE2 3.77Å; F171-H175 AromaticContact CG-CE1 3.91Å; F171-H175 AromaticContact CG-ND1 3.81Å; F171-H175 AromaticContact CZ-CE1 3.04Å; F171-H175 WeakPolarHBondContact CZ-CE1 3.47Å; F171-H175 AromaticContact CZ-ND1 3.59Å; F171-H175 AromaticContact CZ-NE2 3.47Å; F171-H175 WeakPolarHBondContact CZ-NE2 3.39Å; F171-H175 PolarHBondContact O-N 3.37Å; F171-H175 PolarHBondContact O-ND1 2.81Å; V172-H175 PolarHBondContact O-N 3.38Å; V172-H175 VanDerWaalsContact O-N 3.12Å; Y173-H175 VanDerWaalsContact C-N 3.31Å; Y173-H175 PolarHBondContact O-N 3.03Å; H175-A178 WeakPolarHBondContact O-CB 3.22Å; H175-A178 PolarHBondContact O-N 2.8Å; H175-A178 VanDerWaalsContact O-N 3.15Å; H175-L179 WeakPolarHBondContact O-CB 3.3Å; H175-L179 VanDerWaalsContact O-CG 3.27Å; H175-L179 WeakPolarHBondContact O-CG 3.32Å; H175-L179 PolarHBondContact O-N 3.45Å
176E83.5Confident79.6Confident47 Ų4786.1 Ų86.122%0.2241%0.409CS..Hα-helixtrans-57.3-50174.9-175.1-179.2173.300111.3V34 H156 V172 Y173 A178 L179 L180V34-E176 HydrophobicContact CG1-CG 3.64Å; V34-E176 VanDerWaalsContact CG1-OE1 3.26Å; V34-E176 WeakPolarHBondContact CG1-OE1 3.38Å; H156-E176 IonicContact CE1-OE1 3.36Å; H156-E176 PolarHBondContact CE1-OE1 3.36Å; H156-E176 IonicContact NE2-OE1 3.68Å; H156-E176 PolarHBondContact NE2-OE1 2.91Å; V172-E176 WeakPolarHBondContact O-CB 3.24Å; V172-E176 PolarHBondContact O-N 3.03Å; Y173-E176 PolarHBondContact O-N 2.85Å; E176-A178 VanDerWaalsContact C-N 3.32Å; E176-A178 PolarHBondContact O-N 3.42Å; E176-L179 PolarHBondContact O-N 3.47Å; E176-L180 HydrophobicContact CG-CD1 4.18Å; E176-L180 WeakPolarHBondContact O-CB 3.5Å; E176-L180 WeakPolarHBondContact O-CG 3.16Å; E176-L180 PolarHBondContact O-N 3.33Å
177L85.6Confident81.4Confident10 Ų1080.8 Ų80.85%0.05238%0.382CS..Hα-helixtrans-60.2-39173.8-78-175.5000113.1Y157 L161 Y173 L180 R181Y157-L177 HydrophobicContact CD2-CD2 3.91Å; Y157-L177 HydrophobicContact CE2-CD2 3.98Å; L161-L177 HydrophobicContact CD2-CD2 3.62Å; L161-L177 HydrophobicContact CD2-CG 4.31Å; Y173-L177 HydrophobicContact CD1-CD1 3.94Å; Y173-L177 HydrophobicContact CE1-CD1 3.29Å; Y173-L177 HydrophobicContact CE1-CG 4.21Å; Y173-L177 HydrophobicContact CE2-CD1 4.13Å; Y173-L177 HydrophobicContact CE2-CG 4.35Å; Y173-L177 WeakPolarHBondContact O-CB 3.18Å; Y173-L177 WeakPolarHBondContact O-CG 3.36Å; Y173-L177 PolarHBondContact O-N 3.49Å; L177-L180 HydrophobicContact CD2-CD1 4.43Å; L177-R181 WeakPolarHBondContact O-CD 3.14Å; L177-R181 VanDerWaalsContact O-CG 3.23Å; L177-R181 WeakPolarHBondContact O-CG 3.49Å; L177-R181 PolarHBondContact O-N 2.86Å
178A87.4Confident83.3Confident42 Ų4279.1 Ų79.135%0.34737%0.372SS..Hα-helixtrans-63.9-43.9176.400000111R174 H175 E176 R181 I182R174-A178 VanDerWaalsContact O-CB 3.29Å; R174-A178 WeakPolarHBondContact O-CB 3.15Å; R174-A178 PolarHBondContact O-N 3.45Å; H175-A178 WeakPolarHBondContact O-CB 3.22Å; H175-A178 PolarHBondContact O-N 2.8Å; H175-A178 VanDerWaalsContact O-N 3.15Å; E176-A178 VanDerWaalsContact C-N 3.32Å; E176-A178 PolarHBondContact O-N 3.42Å; A178-R181 PolarHBondContact O-N 3.34Å; A178-I182 VanDerWaalsContact O-CG1 3.28Å; A178-I182 WeakPolarHBondContact O-CG1 3.37Å; A178-I182 PolarHBondContact O-N 3.33Å
179L89.8Confident85.4Confident67 Ų6772.5 Ų72.535%0.35135%0.353SS..Hα-helixtrans-67.3-36.7177.9-67.7171.7000112.4Y26 F30 H175 E176 I182 S183Y26-L179 HydrophobicContact CE2-CD2 4.41Å; Y26-L179 PolarHBondContact OH-O 3.48Å; F30-L179 HydrophobicContact CD2-CB 4.44Å; F30-L179 HydrophobicContact CD2-CD1 4.27Å; F30-L179 HydrophobicContact CE1-CB 3.96Å; F30-L179 HydrophobicContact CE2-CB 3.49Å; F30-L179 VanDerWaalsContact CE2-CB 3.49Å; F30-L179 HydrophobicContact CE2-CD1 3.48Å; F30-L179 VanDerWaalsContact CE2-CD1 3.48Å; F30-L179 HydrophobicContact CE2-CG 4.08Å; F30-L179 HydrophobicContact CZ-CB 3.21Å; F30-L179 HydrophobicContact CZ-CD1 4.11Å; F30-L179 HydrophobicContact CZ-CG 4.28Å; H175-L179 WeakPolarHBondContact O-CB 3.3Å; H175-L179 VanDerWaalsContact O-CG 3.27Å; H175-L179 WeakPolarHBondContact O-CG 3.32Å; H175-L179 PolarHBondContact O-N 3.45Å; E176-L179 PolarHBondContact O-N 3.47Å; L179-I182 PolarHBondContact O-N 3.01Å; L179-S183 WeakPolarHBondContact O-CB 3.44Å; L179-S183 PolarHBondContact O-N 2.95Å
180L91Very high87.1Confident8 Ų870.7 Ų70.74%0.04234%0.343CS..Hα-helixtrans-65.2-40.6172.2-73.6165.3000112.2F30 V34 I35 D153 H156 E176 L177 I182 S183 A184F30-L180 HydrophobicContact CE1-CD2 4.03Å; F30-L180 HydrophobicContact CE1-CG 4.23Å; F30-L180 HydrophobicContact CZ-CG 4.35Å; V34-L180 HydrophobicContact CG1-CD2 4.4Å; I35-L180 HydrophobicContact CD1-CD2 3.78Å; I35-L180 HydrophobicContact CG1-CD2 4.26Å; D153-L180 WeakPolarHBondContact OD1-CD2 3.35Å; H156-L180 WeakPolarHBondContact CD2-CD1 3.3Å; E176-L180 HydrophobicContact CG-CD1 4.18Å; E176-L180 WeakPolarHBondContact O-CB 3.5Å; E176-L180 WeakPolarHBondContact O-CG 3.16Å; E176-L180 PolarHBondContact O-N 3.33Å; L177-L180 HydrophobicContact CD2-CD1 4.43Å; L180-I182 VanDerWaalsContact C-N 3.32Å; L180-I182 PolarHBondContact O-N 3.45Å; L180-S183 WeakPolarHBondContact O-CB 3.47Å; L180-S183 PolarHBondContact O-N 3.23Å; L180-A184 WeakPolarHBondContact O-CB 3.49Å; L180-A184 PolarHBondContact O-N 2.68Å
181R91.9Very high88.5Confident148 Ų14870.3 Ų70.356%0.55834%0.34SS*.Hα-helixtrans-64.6-38.8174.5-71.6166.7-173.7169.22.6111.8L177 A178 F185L177-R181 WeakPolarHBondContact O-CD 3.14Å; L177-R181 VanDerWaalsContact O-CG 3.23Å; L177-R181 WeakPolarHBondContact O-CG 3.49Å; L177-R181 PolarHBondContact O-N 2.86Å; A178-R181 PolarHBondContact O-N 3.34Å; R181-F185 VanDerWaalsContact O-CB 3.31Å; R181-F185 WeakPolarHBondContact O-CB 3.27Å; R181-F185 PolarHBondContact O-N 3.35Å
182I93.3Very high89.9Confident77 Ų7766 Ų6640%0.39533%0.334SS..Hα-helixtrans-63.3-46173.8-69.9167.5000110.2A178 L179 L180 F185 M186A178-I182 VanDerWaalsContact O-CG1 3.28Å; A178-I182 WeakPolarHBondContact O-CG1 3.37Å; A178-I182 PolarHBondContact O-N 3.33Å; L179-I182 PolarHBondContact O-N 3.01Å; L180-I182 VanDerWaalsContact C-N 3.32Å; L180-I182 PolarHBondContact O-N 3.45Å; I182-F185 PolarHBondContact O-N 3.01Å; I182-M186 HydrophobicContact CG2-CE 3.29Å; I182-M186 HydrophobicContact CG2-SD 4.25Å; I182-M186 WeakPolarHBondContact O-CG 3.28Å; I182-M186 PolarHBondContact O-N 3.47Å
183S94.7Very high91Very high0 Ų063.8 Ų63.80%033%0.329CS..Hα-helixtrans-55.1-54.6174.21750000111.3N27 D153 L179 L180 F185 M186 G187N27-S183 PolarHBondContact OD1-OG 3.1Å; D153-S183 WeakPolarHBondContact OD2-CB 3.38Å; D153-S183 PolarHBondContact OD2-OG 3.26Å; L179-S183 WeakPolarHBondContact O-CB 3.44Å; L179-S183 PolarHBondContact O-N 2.95Å; L180-S183 WeakPolarHBondContact O-CB 3.47Å; L180-S183 PolarHBondContact O-N 3.23Å; S183-F185 VanDerWaalsContact C-N 3.32Å; S183-F185 PolarHBondContact O-N 2.87Å; S183-M186 PolarHBondContact O-N 3.14Å; S183-G187 PolarHBondContact O-N 3.45Å
184A95.4Very high92Very high28 Ų2861.6 Ų61.623%0.23132%0.322CS..Hα-helixtrans-60.3-41.3-17900000112.1L150 D153 L180 G187 L188L150-A184 HydrophobicContact CD2-CB 4.31Å; D153-A184 PolarHBondContact OD2-N 3.48Å; L180-A184 WeakPolarHBondContact O-CB 3.49Å; L180-A184 PolarHBondContact O-N 2.68Å; A184-G187 PolarHBondContact O-N 3.28Å; A184-L188 WeakPolarHBondContact O-CB 3.34Å; A184-L188 VanDerWaalsContact O-CG 3.29Å; A184-L188 WeakPolarHBondContact O-CG 3.43Å; A184-L188 PolarHBondContact O-N 3.1Å
185F95.8Very high93Very high138 Ų13855.3 Ų55.361%0.60530%0.304SS*.Hα-helixtrans-62.4-47.9176.1179.1-106000112.2R181 I182 S183 G187 L188 I189R181-F185 VanDerWaalsContact O-CB 3.31Å; R181-F185 WeakPolarHBondContact O-CB 3.27Å; R181-F185 PolarHBondContact O-N 3.35Å; I182-F185 PolarHBondContact O-N 3.01Å; S183-F185 VanDerWaalsContact C-N 3.32Å; S183-F185 PolarHBondContact O-N 2.87Å; F185-G187 VanDerWaalsContact C-N 3.34Å; F185-G187 PolarHBondContact O-N 2.83Å; F185-L188 PolarHBondContact O-N 3.46Å; F185-I189 HydrophobicContact CD1-CD1 3.94Å; F185-I189 HydrophobicContact CD2-CD1 4.41Å; F185-I189 HydrophobicContact CE1-CD1 3.4Å; F185-I189 VanDerWaalsContact CE1-CD1 3.4Å; F185-I189 HydrophobicContact CE2-CD1 3.93Å; F185-I189 HydrophobicContact CG-CD1 4.42Å; F185-I189 HydrophobicContact CZ-CD1 3.42Å; F185-I189 VanDerWaalsContact CZ-CD1 3.42Å; F185-I189 HydrophobicContact CZ-CG1 4.49Å; F185-I189 WeakPolarHBondContact O-CG1 3.49Å; F185-I189 PolarHBondContact O-N 2.92Å; F185-I189 VanDerWaalsContact O-N 3.14Å
186M94.7Very high93.7Very high48 Ų4852.8 Ų52.824%0.23630%0.303CS..Hα-helixtrans-61.7-43.5175.1-68.6-179.8-167.700111.4V23 I182 S183 L188 I189 I190V23-M186 HydrophobicContact CG1-CB 4.36Å; V23-M186 HydrophobicContact CG1-SD 4.07Å; V23-M186 HydrophobicContact CG2-SD 3.94Å; I182-M186 HydrophobicContact CG2-CE 3.29Å; I182-M186 HydrophobicContact CG2-SD 4.25Å; I182-M186 WeakPolarHBondContact O-CG 3.28Å; I182-M186 PolarHBondContact O-N 3.47Å; S183-M186 PolarHBondContact O-N 3.14Å; M186-L188 PolarHBondContact O-N 3.25Å; M186-I189 PolarHBondContact O-N 2.93Å; M186-I190 WeakPolarHBondContact O-CB 3.47Å; M186-I190 WeakPolarHBondContact O-CG1 3.04Å; M186-I190 PolarHBondContact O-N 2.95Å
187G95.4Very high94.2Very high5 Ų553.7 Ų53.75%0.05231%0.309CS..Hα-helixtrans-60.8-42.2179.200000112.6S183 A184 F185 L191S183-G187 PolarHBondContact O-N 3.45Å; A184-G187 PolarHBondContact O-N 3.28Å; F185-G187 VanDerWaalsContact C-N 3.34Å; F185-G187 PolarHBondContact O-N 2.83Å; G187-L191 WeakPolarHBondContact O-CB 3.02Å; G187-L191 PolarHBondContact O-N 3.2Å
188L97.1Very high94.7Very high111 Ų11154.9 Ų54.958%0.58131%0.314SS*.Hα-helixtrans-66.3-42.7176.2-73.7171.5000112.3L150 A184 F185 M186 G192L150-L188 HydrophobicContact CD1-CD2 4.06Å; L150-L188 HydrophobicContact CD1-CG 4.46Å; L150-L188 HydrophobicContact CD2-CD2 4.33Å; L150-L188 HydrophobicContact CD2-CG 4.05Å; A184-L188 WeakPolarHBondContact O-CB 3.34Å; A184-L188 VanDerWaalsContact O-CG 3.29Å; A184-L188 WeakPolarHBondContact O-CG 3.43Å; A184-L188 PolarHBondContact O-N 3.1Å; F185-L188 PolarHBondContact O-N 3.46Å; M186-L188 PolarHBondContact O-N 3.25Å; L188-G192 PolarHBondContact O-N 2.75Å
189I96.5Very high95.2Very high99 Ų9959.8 Ų59.851%0.50832%0.324SS..Hα-helixtrans-62.4-48.4176.6-70.7173.3000110.4F185 M186 G193F185-I189 HydrophobicContact CD1-CD1 3.94Å; F185-I189 HydrophobicContact CD2-CD1 4.41Å; F185-I189 HydrophobicContact CE1-CD1 3.4Å; F185-I189 VanDerWaalsContact CE1-CD1 3.4Å; F185-I189 HydrophobicContact CE2-CD1 3.93Å; F185-I189 HydrophobicContact CG-CD1 4.42Å; F185-I189 HydrophobicContact CZ-CD1 3.42Å; F185-I189 VanDerWaalsContact CZ-CD1 3.42Å; F185-I189 HydrophobicContact CZ-CG1 4.49Å; F185-I189 WeakPolarHBondContact O-CG1 3.49Å; F185-I189 PolarHBondContact O-N 2.92Å; F185-I189 VanDerWaalsContact O-N 3.14Å; M186-I189 PolarHBondContact O-N 2.93Å; I189-G193 PolarHBondContact O-N 2.86Å
190I96Very high95.4Very high52 Ų5259.7 Ų59.727%0.26733%0.327SS..Hα-helixtrans-63.2-50.2179.9-71.2174.2000109.9V23 T142 S146 M186 G192 G193 I194V23-I190 HydrophobicContact CB-CD1 4.33Å; V23-I190 HydrophobicContact CG1-CD1 3.52Å; T142-I190 HydrophobicContact CG2-CG2 3.59Å; S146-I190 WeakPolarHBondContact OG-CG2 3.41Å; M186-I190 WeakPolarHBondContact O-CB 3.47Å; M186-I190 WeakPolarHBondContact O-CG1 3.04Å; M186-I190 PolarHBondContact O-N 2.95Å; I190-G192 PolarHBondContact O-N 2.9Å; I190-G193 PolarHBondContact O-N 2.87Å; I190-I194 VanDerWaalsContact O-CB 3.3Å; I190-I194 WeakPolarHBondContact O-CB 3.49Å; I190-I194 WeakPolarHBondContact O-CG2 3.41Å; I190-I194 PolarHBondContact O-N 3.41Å
191L97.2Very high95.6Very high37 Ų3759.6 Ų59.619%0.19433%0.326CS..Hα-helixtrans-60.2-45.3-178.8-177.461.4000111.4Q143 L150 G187 I194 S195Q143-L191 HydrophobicContact CB-CD1 4.32Å; Q143-L191 HydrophobicContact CG-CD1 4.17Å; L150-L191 HydrophobicContact CD1-CB 4.31Å; L150-L191 HydrophobicContact CD1-CD2 3.67Å; G187-L191 WeakPolarHBondContact O-CB 3.02Å; G187-L191 PolarHBondContact O-N 3.2Å; L191-I194 WeakPolarHBondContact O-CG2 3.5Å; L191-S195 WeakPolarHBondContact O-CB 3.34Å; L191-S195 PolarHBondContact O-N 3.46Å; L191-S195 PolarHBondContact O-OG 3.11Å
192G97.1Very high95.7Very high48 Ų4854.4 Ų54.450%0.49531%0.309SS..Hα-helixtrans-62.3-50.7177.400000112.3L188 I190 S195 G196L188-G192 PolarHBondContact O-N 2.75Å; I190-G192 PolarHBondContact O-N 2.9Å; G192-S195 PolarHBondContact O-N 3.46Å; G192-G196 PolarHBondContact O-N 2.94Å; G192-G196 VanDerWaalsContact O-N 3.08Å
193G95.7Very high95.6Very high42 Ų4254.1 Ų54.143%0.43331%0.307SS..Hα-helixtrans-62.4-47.2-179.800000112.8I189 I190 G196 L197I189-G193 PolarHBondContact O-N 2.86Å; I190-G193 PolarHBondContact O-N 2.87Å; G193-G196 PolarHBondContact O-N 3.2Å; G193-L197 WeakPolarHBondContact O-CG 3.21Å; G193-L197 PolarHBondContact O-N 3.23Å
194I96.2Very high95.4Very high22 Ų2254.9 Ų54.911%0.11332%0.315CS..Hα-helixtrans-70.4-34-179-158.366.3000112C139 T142 Q143 I190 L191 L197 F198C139-I194 HydrophobicContact CB-CD1 4.09Å; C139-I194 HydrophobicContact CB-CG1 4.07Å; C139-I194 VanDerWaalsContact SG-CD1 3.56Å; T142-I194 HydrophobicContact CG2-CB 4.36Å; T142-I194 HydrophobicContact CG2-CG1 4.09Å; T142-I194 HydrophobicContact CG2-CG2 4.27Å; Q143-I194 HydrophobicContact CG-CG2 3.47Å; Q143-I194 VanDerWaalsContact CG-CG2 3.47Å; I190-I194 VanDerWaalsContact O-CB 3.3Å; I190-I194 WeakPolarHBondContact O-CB 3.49Å; I190-I194 WeakPolarHBondContact O-CG2 3.41Å; I190-I194 PolarHBondContact O-N 3.41Å; L191-I194 WeakPolarHBondContact O-CG2 3.5Å; I194-L197 PolarHBondContact O-N 2.96Å; I194-F198 WeakPolarHBondContact O-CB 3.37Å; I194-F198 PolarHBondContact O-N 2.7Å
195S97.1Very high95.2Very high42 Ų4253.9 Ų53.929%0.29431%0.306SS..Hα-helixtrans-66-41.5176.2-61.20000110.8L191 G192 F198 Y199L191-S195 WeakPolarHBondContact O-CB 3.34Å; L191-S195 PolarHBondContact O-N 3.46Å; L191-S195 PolarHBondContact O-OG 3.11Å; G192-S195 PolarHBondContact O-N 3.46Å; S195-F198 PolarHBondContact O-N 2.91Å; S195-Y199 VanDerWaalsContact O-CB 3.3Å; S195-Y199 WeakPolarHBondContact O-CB 3.38Å; S195-Y199 PolarHBondContact O-N 3.43Å
196G96.1Very high94.9Very high38 Ų3851.9 Ų51.939%0.39230%0.297SS..Hα-helixtrans-60.1-50173.400000112.3G192 G193 F198 Y199 T200G192-G196 PolarHBondContact O-N 2.94Å; G192-G196 VanDerWaalsContact O-N 3.08Å; G193-G196 PolarHBondContact O-N 3.2Å; G196-F198 PolarHBondContact O-N 2.63Å; G196-Y199 PolarHBondContact O-N 3Å; G196-T200 WeakPolarHBondContact O-CG2 3.46Å; G196-T200 PolarHBondContact O-N 3.35Å; G196-T200 PolarHBondContact O-OG1 2.92Å
197L94.9Very high94.5Very high65 Ų6553.1 Ų53.134%0.3431%0.307SS..Hα-helixtrans-62.7-42.3177.3-70.9174.1000112.3G193 I194 Y199 T200 Q201G193-L197 WeakPolarHBondContact O-CG 3.21Å; G193-L197 PolarHBondContact O-N 3.23Å; I194-L197 PolarHBondContact O-N 2.96Å; L197-Y199 VanDerWaalsContact C-N 3.34Å; L197-Y199 PolarHBondContact O-N 3.45Å; L197-T200 WeakPolarHBondContact CA-OG1 3.42Å; L197-T200 PolarHBondContact O-N 2.87Å; L197-T200 PolarHBondContact O-OG1 2.86Å; L197-Q201 WeakPolarHBondContact O-CG 3.32Å; L197-Q201 PolarHBondContact O-N 3.21Å
198F96.4Very high94.1Very high35 Ų3554.1 Ų54.115%0.15431%0.311CS..Hα-helixtrans-63.3-44.1178.4-169.4-127.8000111.2L136 C139 F140 Q143 I194 S195 G196 T200 Q201 L202L136-F198 HydrophobicContact CB-CE2 4.37Å; L136-F198 HydrophobicContact CD2-CD2 4.16Å; L136-F198 HydrophobicContact CD2-CE2 4.01Å; C139-F198 HydrophobicContact CB-CB 3.97Å; C139-F198 HydrophobicContact CB-CD2 3.42Å; C139-F198 VanDerWaalsContact CB-CD2 3.42Å; C139-F198 HydrophobicContact CB-CE2 4.17Å; C139-F198 HydrophobicContact CB-CG 3.98Å; F140-F198 HydrophobicContact CB-CZ 4.37Å; Q143-F198 VanDerWaalsContact NE2-CB 3.3Å; I194-F198 WeakPolarHBondContact O-CB 3.37Å; I194-F198 PolarHBondContact O-N 2.7Å; S195-F198 PolarHBondContact O-N 2.91Å; G196-F198 PolarHBondContact O-N 2.63Å; F198-T200 PolarHBondContact O-N 2.95Å; F198-Q201 PolarHBondContact O-N 3.45Å; F198-L202 HydrophobicContact CD1-CD1 3.78Å; F198-L202 HydrophobicContact CD1-CG 4.41Å; F198-L202 HydrophobicContact CD2-CG 4.4Å; F198-L202 HydrophobicContact CE1-CD1 3.59Å; F198-L202 HydrophobicContact CE1-CG 4.29Å; F198-L202 HydrophobicContact CE2-CD1 4.43Å; F198-L202 HydrophobicContact CE2-CD2 4.24Å; F198-L202 HydrophobicContact CE2-CG 4.26Å; F198-L202 HydrophobicContact CG-CD1 4.31Å; F198-L202 HydrophobicContact CG-CG 4.48Å; F198-L202 HydrophobicContact CZ-CD1 3.94Å; F198-L202 HydrophobicContact CZ-CD2 4.14Å; F198-L202 HydrophobicContact CZ-CG 4.21Å; F198-L202 WeakPolarHBondContact O-CB 3.44Å; F198-L202 VanDerWaalsContact O-CG 3.28Å; F198-L202 WeakPolarHBondContact O-CG 3.5Å; F198-L202 PolarHBondContact O-N 2.79Å
199Y96.2Very high93.6Very high146 Ų14651.3 Ų51.357%0.57330%0.299SS*.Hα-helixtrans-58.1-47.1174.9175.9-97000111.8S195 G196 L197 Q201 L202 M203S195-Y199 VanDerWaalsContact O-CB 3.3Å; S195-Y199 WeakPolarHBondContact O-CB 3.38Å; S195-Y199 PolarHBondContact O-N 3.43Å; G196-Y199 PolarHBondContact O-N 3Å; L197-Y199 VanDerWaalsContact C-N 3.34Å; L197-Y199 PolarHBondContact O-N 3.45Å; Y199-Q201 PolarHBondContact O-N 3.35Å; Y199-L202 PolarHBondContact O-N 3.28Å; Y199-M203 HydrophobicContact CD1-CG 4.34Å; Y199-M203 HydrophobicContact CD2-CE 4.21Å; Y199-M203 HydrophobicContact CD2-CG 4.35Å; Y199-M203 HydrophobicContact CE1-CG 3.94Å; Y199-M203 HydrophobicContact CE2-CE 3.68Å; Y199-M203 HydrophobicContact CE2-CG 3.96Å; Y199-M203 HydrophobicContact CE2-SD 4.36Å; Y199-M203 WeakPolarHBondContact O-CB 3.46Å; Y199-M203 VanDerWaalsContact O-CG 3.32Å; Y199-M203 WeakPolarHBondContact O-CG 3.26Å; Y199-M203 PolarHBondContact O-N 3.5Å
200T93.9Very high93.1Very high65 Ų6547 Ų4740%0.39928%0.277SS..Hα-helixtrans-63-41.7179.355.40000112.1G196 L197 F198 M203 G204G196-T200 WeakPolarHBondContact O-CG2 3.46Å; G196-T200 PolarHBondContact O-N 3.35Å; G196-T200 PolarHBondContact O-OG1 2.92Å; L197-T200 WeakPolarHBondContact CA-OG1 3.42Å; L197-T200 PolarHBondContact O-N 2.87Å; L197-T200 PolarHBondContact O-OG1 2.86Å; F198-T200 PolarHBondContact O-N 2.95Å; T200-M203 PolarHBondContact O-N 3.48Å; T200-G204 PolarHBondContact O-N 3.33Å
201Q95.4Very high92.7Very high5 Ų546.4 Ų46.42%0.02328%0.278CS..Hα-helixtrans-66.1-44.1176.9-63.9-42.7100.300112.1D117 H132 F135 L136 L197 F198 Y199 M203 G204 I205D117-Q201 PolarHBondContact OD2-NE2 3.34Å; D117-Q201 PolarHBondContact OD2-OE1 3.2Å; H132-Q201 PolarHBondContact NE2-NE2 3.49Å; F135-Q201 HydrophobicContact CD1-CG 3.98Å; F135-Q201 HydrophobicContact CE1-CG 3.65Å; L136-Q201 HydrophobicContact CD2-CB 3.66Å; L136-Q201 HydrophobicContact CD2-CG 4.4Å; L197-Q201 WeakPolarHBondContact O-CG 3.32Å; L197-Q201 PolarHBondContact O-N 3.21Å; F198-Q201 PolarHBondContact O-N 3.45Å; Y199-Q201 PolarHBondContact O-N 3.35Å; Q201-M203 VanDerWaalsContact C-N 3.32Å; Q201-M203 PolarHBondContact O-N 2.86Å; Q201-G204 PolarHBondContact O-N 2.73Å; Q201-I205 VanDerWaalsContact O-CG1 3.31Å; Q201-I205 WeakPolarHBondContact O-CG1 3.45Å; Q201-I205 PolarHBondContact O-N 2.9Å
202L94.6Very high92.2Very high39 Ų3946.7 Ų46.720%0.20428%0.279CS..Hα-helixtrans-59.2-46.2177.4-72177.5000110.9F198 Y199 G204 I205 F206 F233F198-L202 HydrophobicContact CD1-CD1 3.78Å; F198-L202 HydrophobicContact CD1-CG 4.41Å; F198-L202 HydrophobicContact CD2-CG 4.4Å; F198-L202 HydrophobicContact CE1-CD1 3.59Å; F198-L202 HydrophobicContact CE1-CG 4.29Å; F198-L202 HydrophobicContact CE2-CD1 4.43Å; F198-L202 HydrophobicContact CE2-CD2 4.24Å; F198-L202 HydrophobicContact CE2-CG 4.26Å; F198-L202 HydrophobicContact CG-CD1 4.31Å; F198-L202 HydrophobicContact CG-CG 4.48Å; F198-L202 HydrophobicContact CZ-CD1 3.94Å; F198-L202 HydrophobicContact CZ-CD2 4.14Å; F198-L202 HydrophobicContact CZ-CG 4.21Å; F198-L202 WeakPolarHBondContact O-CB 3.44Å; F198-L202 VanDerWaalsContact O-CG 3.28Å; F198-L202 WeakPolarHBondContact O-CG 3.5Å; F198-L202 PolarHBondContact O-N 2.79Å; Y199-L202 PolarHBondContact O-N 3.28Å; L202-G204 VanDerWaalsContact C-N 3.34Å; L202-G204 PolarHBondContact O-N 2.84Å; L202-I205 PolarHBondContact O-N 2.83Å; L202-I205 VanDerWaalsContact O-N 3.16Å; L202-F206 WeakPolarHBondContact O-CD2 3.46Å; L202-F206 PolarHBondContact O-N 3.37Å; L202-F233 HydrophobicContact CD2-CE1 3.82Å; L202-F233 HydrophobicContact CD2-CZ 3.81Å
203M91.9Very high91.6Very high72 Ų7245.9 Ų45.936%0.35526%0.262SS..Hα-helixtrans-61.5-41.6176.6-69.4-59.1134.600111.9Y199 T200 Q201 I205 F206 T207Y199-M203 HydrophobicContact CD1-CG 4.34Å; Y199-M203 HydrophobicContact CD2-CE 4.21Å; Y199-M203 HydrophobicContact CD2-CG 4.35Å; Y199-M203 HydrophobicContact CE1-CG 3.94Å; Y199-M203 HydrophobicContact CE2-CE 3.68Å; Y199-M203 HydrophobicContact CE2-CG 3.96Å; Y199-M203 HydrophobicContact CE2-SD 4.36Å; Y199-M203 WeakPolarHBondContact O-CB 3.46Å; Y199-M203 VanDerWaalsContact O-CG 3.32Å; Y199-M203 WeakPolarHBondContact O-CG 3.26Å; Y199-M203 PolarHBondContact O-N 3.5Å; T200-M203 PolarHBondContact O-N 3.48Å; Q201-M203 VanDerWaalsContact C-N 3.32Å; Q201-M203 PolarHBondContact O-N 2.86Å; M203-I205 VanDerWaalsContact C-N 3.28Å; M203-I205 PolarHBondContact O-N 3.37Å; M203-F206 HydrophobicContact CE-CD2 4.14Å; M203-F206 HydrophobicContact CE-CE2 4.34Å; M203-F206 WeakPolarHBondContact O-CB 3.23Å; M203-F206 PolarHBondContact O-N 3.4Å; M203-F206 VanDerWaalsContact O-N 3.16Å; M203-F206 HydrophobicContact SD-CD2 4.33Å; M203-T207 PolarHBondContact O-N 3.08Å; M203-T207 PolarHBondContact O-OG1 2.91Å
204G90.7Very high91Very high16 Ų1651.5 Ų51.517%0.16528%0.275CS..Hα-helixtrans-58.2-37.7173.900000113.3T200 Q201 L202 T207 D208 T209T200-G204 PolarHBondContact O-N 3.33Å; Q201-G204 PolarHBondContact O-N 2.73Å; L202-G204 VanDerWaalsContact C-N 3.34Å; L202-G204 PolarHBondContact O-N 2.84Å; G204-T207 PolarHBondContact O-N 3.04Å; G204-T207 PolarHBondContact O-OG1 3.43Å; G204-D208 CarbonylContact O-C 3.54Å; G204-D208 WeakPolarHBondContact O-CA 3.33Å; G204-D208 PolarHBondContact O-N 3.38Å; G204-T209 CarbonylContact C-O 3.44Å; G204-T209 WeakPolarHBondContact CA-O 3.47Å; G204-T209 PolarHBondContact O-N 3.41Å
205I91.1Very high90.4Very high7 Ų758.3 Ų58.34%0.03631%0.308CS..Hα-helixtrans-72-36.7176.3-61.3163.6000111.5L136 Q201 L202 M203 T207 D208 T232 F233 V236L136-I205 HydrophobicContact CD1-CD1 3.43Å; L136-I205 VanDerWaalsContact CD1-CD1 3.43Å; L136-I205 HydrophobicContact CD2-CD1 4.12Å; L136-I205 HydrophobicContact CG-CD1 4.33Å; Q201-I205 VanDerWaalsContact O-CG1 3.31Å; Q201-I205 WeakPolarHBondContact O-CG1 3.45Å; Q201-I205 PolarHBondContact O-N 2.9Å; L202-I205 PolarHBondContact O-N 2.83Å; L202-I205 VanDerWaalsContact O-N 3.16Å; M203-I205 VanDerWaalsContact C-N 3.28Å; M203-I205 PolarHBondContact O-N 3.37Å; I205-T207 VanDerWaalsContact C-N 3.31Å; I205-T207 PolarHBondContact O-N 2.93Å; I205-D208 PolarHBondContact O-N 3.14Å; I205-T232 WeakPolarHBondContact O-CB 3.49Å; I205-T232 PolarHBondContact O-OG1 3.35Å; I205-F233 HydrophobicContact CB-CE2 4.13Å; I205-F233 HydrophobicContact CB-CZ 4.35Å; I205-F233 HydrophobicContact CG2-CD1 4.45Å; I205-F233 HydrophobicContact CG2-CD2 3.48Å; I205-F233 VanDerWaalsContact CG2-CD2 3.48Å; I205-F233 HydrophobicContact CG2-CE1 4.46Å; I205-F233 HydrophobicContact CG2-CE2 3.53Å; I205-F233 HydrophobicContact CG2-CG 3.98Å; I205-F233 HydrophobicContact CG2-CZ 4.04Å; I205-V236 HydrophobicContact CD1-CG1 4.39Å; I205-V236 HydrophobicContact CD1-CG2 4.35Å; I205-V236 HydrophobicContact CG1-CG2 4.17Å; I205-V236 HydrophobicContact CG2-CG2 4.12Å
206F89.2Confident89.3Confident95 Ų9559 Ų5942%0.41731%0.313SS..Hα-helixtrans-64-37.1174-80.2-66.6000112.3L202 M203 W229 F233L202-F206 WeakPolarHBondContact O-CD2 3.46Å; L202-F206 PolarHBondContact O-N 3.37Å; M203-F206 HydrophobicContact CE-CD2 4.14Å; M203-F206 HydrophobicContact CE-CE2 4.34Å; M203-F206 WeakPolarHBondContact O-CB 3.23Å; M203-F206 PolarHBondContact O-N 3.4Å; M203-F206 VanDerWaalsContact O-N 3.16Å; M203-F206 HydrophobicContact SD-CD2 4.33Å; F206-W229 HydrophobicContact CD1-CB 3.73Å; F206-W229 HydrophobicContact CE1-CB 3.64Å; F206-W229 HydrophobicContact CE1-CG 4.16Å; F206-F233 HydrophobicContact CD1-CE2 4.16Å; F206-F233 HydrophobicContact CD2-CE2 4.34Å; F206-F233 AromaticContact CE1-CE2 3.92Å; F206-F233 HydrophobicContact CE1-CE2 3.92Å; F206-F233 HydrophobicContact CE2-CE2 4.09Å; F206-F233 HydrophobicContact CE2-CZ 4.07Å; F206-F233 HydrophobicContact CG-CE2 4.35Å; F206-F233 AromaticContact CZ-CE2 3.87Å; F206-F233 HydrophobicContact CZ-CE2 3.87Å; F206-F233 HydrophobicContact CZ-CZ 4.09Å
207T85.9Confident87.6Confident74 Ų7464 Ų6445%0.45433%0.331SS..Hα-helixtrans-90.4-3.4179.352.70000113.8M203 G204 I205 T209M203-T207 PolarHBondContact O-N 3.08Å; M203-T207 PolarHBondContact O-OG1 2.91Å; G204-T207 PolarHBondContact O-N 3.04Å; G204-T207 PolarHBondContact O-OG1 3.43Å; I205-T207 VanDerWaalsContact C-N 3.31Å; I205-T207 PolarHBondContact O-N 2.93Å; T207-T209 PolarHBondContact O-N 3.02Å; T207-T209 PolarHBondContact OG1-OG1 3.49Å
208D87.1Confident85.7Confident27 Ų2765.7 Ų65.714%0.14435%0.347CS..THydrogen-bonded Turntrans5133.6-168.6-164.854.3000113.9R102 R115 G204 I205 T232R102-D208 IonicContact CZ-OD2 3.91Å; R102-D208 IonicContact NH1-OD2 2.83Å; R102-D208 PolarHBondContact NH1-OD2 2.89Å; R102-D208 PolarHBondContact NH2-O 3.48Å; R102-D208 IonicContact NH2-OD2 3.67Å; R115-D208 IonicContact CZ-OD1 2.89Å; R115-D208 IonicContact NH2-OD1 3.31Å; R115-D208 PolarHBondContact NH2-OD1 2.97Å; R115-D208 IonicContact NH2-OD2 3.76Å; G204-D208 CarbonylContact O-C 3.54Å; G204-D208 WeakPolarHBondContact O-CA 3.33Å; G204-D208 PolarHBondContact O-N 3.38Å; I205-D208 PolarHBondContact O-N 3.14Å; D208-T232 HydrophobicContact CB-CG2 4.33Å
209T86.1Confident83.5Confident51 Ų5167.7 Ų67.731%0.31336%0.364SS..  trans-117.6134.4179.558.90000111.3G204 T207G204-T209 CarbonylContact C-O 3.44Å; G204-T209 WeakPolarHBondContact CA-O 3.47Å; G204-T209 PolarHBondContact O-N 3.41Å; T207-T209 PolarHBondContact O-N 3.02Å; T207-T209 PolarHBondContact OG1-OG1 3.49Å
210T86.7Confident81.2Confident10 Ų1069.9 Ų69.96%0.06138%0.38CS..  trans-77.4162.3168.260.70000111.5D117 I212 E213 K214D117-T210 WeakPolarHBondContact OD1-CA 3.37Å; D117-T210 WeakPolarHBondContact OD1-CB 3.42Å; T210-I212 VanDerWaalsContact C-N 3.28Å; T210-I212 PolarHBondContact O-N 3Å; T210-E213 PolarHBondContact N-OE2 2.99Å; T210-E213 PolarHBondContact O-N 3.15Å; T210-E213 WeakPolarHBondContact OG1-CB 3.34Å; T210-E213 VanDerWaalsContact OG1-CD 3.25Å; T210-E213 WeakPolarHBondContact OG1-CG 3.5Å; T210-E213 PolarHBondContact OG1-N 3.45Å; T210-E213 PolarHBondContact OG1-OE2 3.29Å; T210-K214 PolarHBondContact O-N 3.05Å
211S87.1Confident79Confident39 Ų3974.2 Ų74.227%0.27340%0.401SS..Hα-helixtrans-57.9-39.7175-62.40000112.2D117 K214 M215D117-S211 PolarHBondContact OD1-N 3.18Å; D117-S211 PolarHBondContact OD1-OG 3Å; D117-S211 PolarHBondContact OD2-OG 2.88Å; S211-K214 PolarHBondContact O-N 3.27Å; S211-M215 WeakPolarHBondContact O-CG 3.38Å; S211-M215 PolarHBondContact O-N 3.13Å; S211-M215 VanDerWaalsContact O-N 3.11Å
212I86.1Confident77Confident43 Ų4377.1 Ų77.122%0.22142%0.416CS..Hα-helixtrans-65.9-44.2175.9-68.3168.7000111.6H104 M116 D117 T210 K214 M215 S216H104-I212 HydrophobicContact CB-CD1 3.94Å; H104-I212 WeakPolarHBondContact NE2-CG2 3.29Å; M116-I212 HydrophobicContact CB-CD1 4.29Å; M116-I212 HydrophobicContact CE-CD1 4.36Å; M116-I212 HydrophobicContact CG-CD1 3.98Å; M116-I212 HydrophobicContact SD-CD1 4.15Å; D117-I212 WeakPolarHBondContact O-CG1 3.49Å; T210-I212 VanDerWaalsContact C-N 3.28Å; T210-I212 PolarHBondContact O-N 3Å; I212-K214 VanDerWaalsContact C-N 3.27Å; I212-K214 PolarHBondContact O-N 3.21Å; I212-M215 PolarHBondContact O-N 2.95Å; I212-S216 VanDerWaalsContact O-CB 3.28Å; I212-S216 WeakPolarHBondContact O-CB 3.43Å; I212-S216 PolarHBondContact O-N 3.4Å; I212-S216 PolarHBondContact O-OG 3.14Å
213E84.7Confident75Confident31 Ų3187.5 Ų87.515%0.14545%0.452CS..Hα-helixtrans-60.3-39.4177.1-74.2166.3146.400111.2R102 T210 S216 R224R102-E213 WeakPolarHBondContact CD-OE1 3.47Å; R102-E213 WeakPolarHBondContact CG-OE1 3.46Å; R102-E213 IonicContact CZ-OE1 3.79Å; R102-E213 VanDerWaalsContact CZ-OE1 3.29Å; R102-E213 IonicContact CZ-OE2 3.86Å; R102-E213 IonicContact NE-OE1 3.65Å; R102-E213 PolarHBondContact NE-OE1 3.5Å; R102-E213 IonicContact NE-OE2 3.54Å; R102-E213 IonicContact NH2-OE1 3.29Å; R102-E213 PolarHBondContact NH2-OE1 3.5Å; R102-E213 IonicContact NH2-OE2 3.96Å; R102-E213 PolarHBondContact NH2-OE2 3.08Å; T210-E213 PolarHBondContact N-OE2 2.99Å; T210-E213 PolarHBondContact O-N 3.15Å; T210-E213 WeakPolarHBondContact OG1-CB 3.34Å; T210-E213 VanDerWaalsContact OG1-CD 3.25Å; T210-E213 WeakPolarHBondContact OG1-CG 3.5Å; T210-E213 PolarHBondContact OG1-N 3.45Å; T210-E213 PolarHBondContact OG1-OE2 3.29Å; E213-S216 PolarHBondContact O-OG 3.19Å; E213-R224 IonicContact OE1-NH1 3.04Å
214K84.5Confident73.7Confident159 Ų15987.2 Ų87.269%0.69145%0.447SS*.Hα-helixtrans-66.3-37.9177.3-169.9177.5-178.6-179.20113.1T210 S211 I212T210-K214 PolarHBondContact O-N 3.05Å; S211-K214 PolarHBondContact O-N 3.27Å; I212-K214 VanDerWaalsContact C-N 3.27Å; I212-K214 PolarHBondContact O-N 3.21Å
215M82.3Confident72.6Confident165 Ų16591.7 Ų91.781%0.81347%0.473SS*.Hα-helixtrans-81.1-31-178.5-71.2179.565.700113.6S211 I212 N217S211-M215 WeakPolarHBondContact O-CG 3.38Å; S211-M215 PolarHBondContact O-N 3.13Å; S211-M215 VanDerWaalsContact O-N 3.11Å; I212-M215 PolarHBondContact O-N 2.95Å; M215-N217 VanDerWaalsContact C-N 3.3Å; M215-N217 PolarHBondContact O-N 3.37Å
216S74.8Confident71.7Confident57 Ų57102.5 Ų102.540%0.39951%0.513SS..SBendtrans-81.3-5.4-170.957.40000114I212 E213 C218I212-S216 VanDerWaalsContact O-CB 3.28Å; I212-S216 WeakPolarHBondContact O-CB 3.43Å; I212-S216 PolarHBondContact O-N 3.4Å; I212-S216 PolarHBondContact O-OG 3.14Å; E213-S216 PolarHBondContact O-OG 3.19Å; S216-C218 WeakPolarHBondContact O-CA 3.47Å; S216-C218 WeakPolarHBondContact O-CB 3.29Å; S216-C218 PolarHBondContact O-N 3.18Å; S216-C218 WeakPolarHBondContact OG-CB 3.37Å
217N60.9Low71.4Confident143 Ų14399.9 Ų99.977%0.76550%0.502SS*.  trans46.317.8-169.7-72.4-18.9000113.1M215 C219M215-N217 VanDerWaalsContact C-N 3.3Å; M215-N217 PolarHBondContact O-N 3.37Å; N217-C219 PolarHBondContact O-N 3.37Å
218C53Low71.5Confident101 Ų101100.1 Ų100.168%0.68251%0.505SS*.  trans-88.726-157.4-148.90000112.9S216S216-C218 WeakPolarHBondContact O-CA 3.47Å; S216-C218 WeakPolarHBondContact O-CB 3.29Å; S216-C218 PolarHBondContact O-N 3.18Å; S216-C218 WeakPolarHBondContact OG-CB 3.37Å
219C51.4Low71.5Confident77 Ų77104.2 Ų104.252%0.5252%0.518SS..  trans-149.666.1177.3-90.70000110.4N217N217-C219 PolarHBondContact O-N 3.37Å
220E47.3Very low71.6Confident191 Ų191106.6 Ų106.689%0.89353%0.526SS*.SBendtrans-71.7-11.5151.3-77.4-157.3146.900112.2
221D48.2Very low71.7Confident157 Ų157109 Ų10984%0.8454%0.536SS*.SBendtrans-114.415.1-164.5-90.3-28.6000118.5
222I53.9Low71.8Confident66 Ų66107.3 Ų107.334%0.33853%0.525SS..  trans-133.598163.8-48.4177.2000108.6R224 V265I222-R224 HydrophobicContact CB-CG 4.11Å; I222-R224 HydrophobicContact CG2-CG 3.52Å; I222-R224 PolarHBondContact O-N 3.5Å; I222-V265 HydrophobicContact CG2-CG1 4.13Å
223R52.5Low72Confident256 Ų256106.1 Ų106.197%0.96652%0.518SS*.  trans-68.175.4170-156.3177.8-170.1-168.23.4108.6
224R64.8Low72.2Confident67 Ų67104.9 Ų104.925%0.25351%0.512SS..PPolyproline II helixtrans-68.6132.3-178.7-62.9-175.3174.9156.39109.4E213 I222 R226 H264 V265E213-R224 IonicContact OE1-NH1 3.04Å; I222-R224 HydrophobicContact CB-CG 4.11Å; I222-R224 HydrophobicContact CG2-CG 3.52Å; I222-R224 PolarHBondContact O-N 3.5Å; R224-R226 PolarHBondContact O-N 2.96Å; R224-H264 VanDerWaalsContact CZ-O 3.23Å; R224-H264 PolarHBondContact NH1-O 3.14Å; R224-H264 PolarHBondContact NH2-O 3.11Å; R224-V265 WeakPolarHBondContact CB-OXT 3.4Å; R224-V265 WeakPolarHBondContact CD-OXT 3.19Å; R224-V265 WeakPolarHBondContact CG-OXT 3.1Å; R224-V265 PolarHBondContact NE-OXT 3.08Å
225P67.1Low72.5Confident109 Ų10998.5 Ų98.571%0.70849%0.485SS*.PPolyproline II helixtrans-63.1129.217225.8-30.7000108.8K227P225-K227 PolarHBondContact O-N 3.38Å; P225-K227 VanDerWaalsContact O-N 3.11Å
226R71.8Confident72.9Confident234 Ų23491.6 Ų91.688%0.88345%0.452SS*.PPolyproline II helixtrans-60.9117.6176.9-83.2-177.7166.7156.3-2.8109.5R224R224-R226 PolarHBondContact O-N 2.96Å
227K82.9Confident73.6Confident40 Ų4089.5 Ų89.517%0.17444%0.436CS..PPolyproline II helixtrans-69.7146.4170.2-66.8176.5-177.3175.40109.6P225 T232 E235 N263P225-K227 PolarHBondContact O-N 3.38Å; P225-K227 VanDerWaalsContact O-N 3.11Å; K227-T232 HydrophobicContact CB-CG2 3.77Å; K227-T232 HydrophobicContact CD-CG2 4.32Å; K227-E235 IonicContact NZ-OE1 3.28Å; K227-E235 PolarHBondContact NZ-OE1 2.77Å; K227-E235 IonicContact NZ-OE2 3.35Å; K227-E235 PolarHBondContact NZ-OE2 3.12Å; K227-N263 PolarHBondContact NZ-O 3.29Å
228P88.2Confident75Confident80 Ų8083 Ų8352%0.51940%0.402SS..PPolyproline II helixtrans-58.4142.4169.3-21.832.8000110.9Q230 Q231 T232P228-Q230 PolarHBondContact O-N 2.94Å; P228-Q230 VanDerWaalsContact O-N 3.11Å; P228-Q231 WeakPolarHBondContact O-CB 3.23Å; P228-Q231 PolarHBondContact O-N 3.37Å; P228-T232 PolarHBondContact O-N 3.48Å
229W86.8Confident76.7Confident112 Ų11278.9 Ų78.942%0.42437%0.374SS..Hα-helixtrans-55.7-34.1-178.971.7-93.7000113F206 Q231 T232 F233 W245F206-W229 HydrophobicContact CD1-CB 3.73Å; F206-W229 HydrophobicContact CE1-CB 3.64Å; F206-W229 HydrophobicContact CE1-CG 4.16Å; W229-Q231 PolarHBondContact O-N 3.19Å; W229-T232 PolarHBondContact O-N 2.85Å; W229-T232 PolarHBondContact O-OG1 2.87Å; W229-T232 VanDerWaalsContact O-OG1 3.06Å; W229-F233 HydrophobicContact CE3-CD2 4.18Å; W229-F233 WeakPolarHBondContact O-CB 3.31Å; W229-F233 VanDerWaalsContact O-CD2 3.27Å; W229-F233 WeakPolarHBondContact O-CD2 3.33Å; W229-F233 PolarHBondContact O-N 3.43Å; W229-W245 HydrophobicContact CZ3-CH2 4.25Å
230Q89.4Confident78.4Confident102 Ų10281.3 Ų81.348%0.47738%0.378SS..Hα-helixtrans-61.9-36.6178.5-63.3176.5-1000111.1P228 S234P228-Q230 PolarHBondContact O-N 2.94Å; P228-Q230 VanDerWaalsContact O-N 3.11Å; Q230-S234 WeakPolarHBondContact O-CB 3.45Å; Q230-S234 PolarHBondContact O-N 3.25Å; Q230-S234 PolarHBondContact O-OG 3.42Å
231Q88.4Confident80.3Confident60 Ų6081.1 Ų81.128%0.2837%0.369SS..Hα-helixtrans-71.3-47.4178.6-174.1-178.1-17.700110.9P228 W229 F233 S234 E235P228-Q231 WeakPolarHBondContact O-CB 3.23Å; P228-Q231 PolarHBondContact O-N 3.37Å; W229-Q231 PolarHBondContact O-N 3.19Å; Q231-F233 PolarHBondContact O-N 2.86Å; Q231-S234 PolarHBondContact O-N 3.47Å; Q231-E235 PolarHBondContact NE2-OE1 2.82Å; Q231-E235 WeakPolarHBondContact O-CG 3.45Å; Q231-E235 PolarHBondContact O-N 3.2Å
232T88.4Confident82.2Confident4 Ų478.4 Ų78.43%0.02535%0.35CS..Hα-helixtrans-63-43.5-178.759.60000111.7I205 D208 K227 P228 W229 E235 V236I205-T232 WeakPolarHBondContact O-CB 3.49Å; I205-T232 PolarHBondContact O-OG1 3.35Å; D208-T232 HydrophobicContact CB-CG2 4.33Å; K227-T232 HydrophobicContact CB-CG2 3.77Å; K227-T232 HydrophobicContact CD-CG2 4.32Å; P228-T232 PolarHBondContact O-N 3.48Å; W229-T232 PolarHBondContact O-N 2.85Å; W229-T232 PolarHBondContact O-OG1 2.87Å; W229-T232 VanDerWaalsContact O-OG1 3.06Å; T232-E235 PolarHBondContact O-N 3.03Å; T232-V236 WeakPolarHBondContact O-CG2 3.34Å; T232-V236 PolarHBondContact O-N 3.31Å
233F90.4Very high83.8Confident17 Ų1781.5 Ų81.58%0.07537%0.365CS..Hα-helixtrans-64.2-42.6173.9-84.9-103.3000112L202 I205 F206 W229 Q231 E235 V236 F237 W245L202-F233 HydrophobicContact CD2-CE1 3.82Å; L202-F233 HydrophobicContact CD2-CZ 3.81Å; I205-F233 HydrophobicContact CB-CE2 4.13Å; I205-F233 HydrophobicContact CB-CZ 4.35Å; I205-F233 HydrophobicContact CG2-CD1 4.45Å; I205-F233 HydrophobicContact CG2-CD2 3.48Å; I205-F233 VanDerWaalsContact CG2-CD2 3.48Å; I205-F233 HydrophobicContact CG2-CE1 4.46Å; I205-F233 HydrophobicContact CG2-CE2 3.53Å; I205-F233 HydrophobicContact CG2-CG 3.98Å; I205-F233 HydrophobicContact CG2-CZ 4.04Å; F206-F233 HydrophobicContact CD1-CE2 4.16Å; F206-F233 HydrophobicContact CD2-CE2 4.34Å; F206-F233 AromaticContact CE1-CE2 3.92Å; F206-F233 HydrophobicContact CE1-CE2 3.92Å; F206-F233 HydrophobicContact CE2-CE2 4.09Å; F206-F233 HydrophobicContact CE2-CZ 4.07Å; F206-F233 HydrophobicContact CG-CE2 4.35Å; F206-F233 AromaticContact CZ-CE2 3.87Å; F206-F233 HydrophobicContact CZ-CE2 3.87Å; F206-F233 HydrophobicContact CZ-CZ 4.09Å; W229-F233 HydrophobicContact CE3-CD2 4.18Å; W229-F233 WeakPolarHBondContact O-CB 3.31Å; W229-F233 VanDerWaalsContact O-CD2 3.27Å; W229-F233 WeakPolarHBondContact O-CD2 3.33Å; W229-F233 PolarHBondContact O-N 3.43Å; Q231-F233 PolarHBondContact O-N 2.86Å; F233-E235 VanDerWaalsContact C-N 3.28Å; F233-E235 PolarHBondContact O-N 3.46Å; F233-V236 PolarHBondContact O-N 2.9Å; F233-F237 HydrophobicContact CD1-CD2 4.25Å; F233-F237 AromaticContact CD1-CE2 3.86Å; F233-F237 HydrophobicContact CD1-CE2 3.86Å; F233-F237 HydrophobicContact CE1-CE2 4.42Å; F233-F237 WeakPolarHBondContact O-CD2 3.46Å; F233-F237 PolarHBondContact O-N 3.44Å; F233-W245 HydrophobicContact CB-CH2 3.43Å; F233-W245 VanDerWaalsContact CB-CH2 3.43Å; F233-W245 HydrophobicContact CB-CZ2 3.83Å; F233-W245 HydrophobicContact CB-CZ3 3.99Å; F233-W245 HydrophobicContact CD1-CE3 4.34Å; F233-W245 HydrophobicContact CD1-CH2 4.15Å; F233-W245 AromaticContact CD1-CZ3 3.8Å; F233-W245 HydrophobicContact CD1-CZ3 3.8Å; F233-W245 HydrophobicContact CG-CH2 4.09Å; F233-W245 HydrophobicContact CG-CZ3 4.19Å
234S90.1Very high85.4Confident5 Ų571.8 Ų71.84%0.03533%0.332CS..Hα-helixtrans-61.8-37.4177.4-60.20000111.8Q230 Q231 G238 T239 H240 L255Q230-S234 WeakPolarHBondContact O-CB 3.45Å; Q230-S234 PolarHBondContact O-N 3.25Å; Q230-S234 PolarHBondContact O-OG 3.42Å; Q231-S234 PolarHBondContact O-N 3.47Å; S234-G238 VanDerWaalsContact O-CA 3.27Å; S234-G238 WeakPolarHBondContact O-CA 3.33Å; S234-G238 PolarHBondContact O-N 2.98Å; S234-T239 WeakPolarHBondContact CA-O 3.34Å; S234-T239 WeakPolarHBondContact CB-O 3.3Å; S234-T239 PolarHBondContact O-N 3.46Å; S234-T239 VanDerWaalsContact O-N 3.13Å; S234-T239 PolarHBondContact OG-O 2.87Å; S234-H240 WeakPolarHBondContact CB-ND1 3.33Å; S234-H240 PolarHBondContact OG-ND1 3.32Å; S234-L255 WeakPolarHBondContact O-CD1 3.13Å
235E89.4Confident86.5Confident26 Ų2669.5 Ų69.512%0.12132%0.324CS..Hα-helixtrans-64.1-44.2174.9-73.7176.1-168.800111.5K227 Q231 T232 F233 R252 R256K227-E235 IonicContact NZ-OE1 3.28Å; K227-E235 PolarHBondContact NZ-OE1 2.77Å; K227-E235 IonicContact NZ-OE2 3.35Å; K227-E235 PolarHBondContact NZ-OE2 3.12Å; Q231-E235 PolarHBondContact NE2-OE1 2.82Å; Q231-E235 WeakPolarHBondContact O-CG 3.45Å; Q231-E235 PolarHBondContact O-N 3.2Å; T232-E235 PolarHBondContact O-N 3.03Å; F233-E235 VanDerWaalsContact C-N 3.28Å; F233-E235 PolarHBondContact O-N 3.46Å; E235-R252 PolarHBondContact O-NH2 2.96Å; E235-R256 IonicContact OE1-CZ 3.84Å; E235-R256 IonicContact OE1-NH1 2.73Å
236V90.6Very high87.4Confident19 Ų1969.3 Ų69.312%0.11531%0.312CS..Hα-helixtrans-64.4-53.8176.7172.30000110.9W133 L136 I205 T232 F233 G238 R252W133-V236 HydrophobicContact CB-CG1 3.98Å; L136-V236 HydrophobicContact CD1-CG1 3.9Å; I205-V236 HydrophobicContact CD1-CG1 4.39Å; I205-V236 HydrophobicContact CD1-CG2 4.35Å; I205-V236 HydrophobicContact CG1-CG2 4.17Å; I205-V236 HydrophobicContact CG2-CG2 4.12Å; T232-V236 WeakPolarHBondContact O-CG2 3.34Å; T232-V236 PolarHBondContact O-N 3.31Å; F233-V236 PolarHBondContact O-N 2.9Å; V236-G238 VanDerWaalsContact C-N 3.29Å; V236-G238 PolarHBondContact O-N 2.9Å; V236-R252 PolarHBondContact O-NE 3.35Å
237F91.2Very high88.1Confident14 Ų1461.5 Ų61.56%0.06129%0.287CS..Hα-helixtrans-78-9.3-177.1-74.9-85.4000113.7W133 L136 F233 T239 W245 R250W133-F237 HydrophobicContact CB-CD1 4.06Å; W133-F237 HydrophobicContact CB-CE1 4.34Å; W133-F237 HydrophobicContact CB-CG 4.47Å; W133-F237 HydrophobicContact CE3-CD1 4.49Å; L136-F237 HydrophobicContact CB-CZ 4.22Å; L136-F237 HydrophobicContact CD1-CE2 3.81Å; L136-F237 HydrophobicContact CD1-CZ 3.72Å; F233-F237 HydrophobicContact CD1-CD2 4.25Å; F233-F237 AromaticContact CD1-CE2 3.86Å; F233-F237 HydrophobicContact CD1-CE2 3.86Å; F233-F237 HydrophobicContact CE1-CE2 4.42Å; F233-F237 WeakPolarHBondContact O-CD2 3.46Å; F233-F237 PolarHBondContact O-N 3.44Å; F237-T239 VanDerWaalsContact C-N 3.3Å; F237-T239 PolarHBondContact O-N 2.75Å; F237-W245 HydrophobicContact CB-CD2 4.38Å; F237-W245 HydrophobicContact CB-CG 3.91Å; F237-W245 HydrophobicContact CD1-CB 3.57Å; F237-W245 AromaticContact CD1-CD1 3.93Å; F237-W245 AromaticContact CD1-CG 3.73Å; F237-W245 HydrophobicContact CD1-CG 3.73Å; F237-W245 HydrophobicContact CD2-CB 4.41Å; F237-W245 AromaticContact CD2-CD2 3.87Å; F237-W245 HydrophobicContact CD2-CD2 3.87Å; F237-W245 HydrophobicContact CD2-CE3 4.3Å; F237-W245 AromaticContact CD2-CG 3.92Å; F237-W245 HydrophobicContact CD2-CG 3.92Å; F237-W245 HydrophobicContact CE1-CB 3.68Å; F237-W245 HydrophobicContact CE1-CG 4.21Å; F237-W245 HydrophobicContact CE2-CD2 4.29Å; F237-W245 HydrophobicContact CE2-CE3 4.34Å; F237-W245 HydrophobicContact CE2-CG 4.4Å; F237-W245 HydrophobicContact CG-CB 3.96Å; F237-W245 AromaticContact CG-CD1 3.57Å; F237-W245 HydrophobicContact CG-CD2 4Å; F237-W245 AromaticContact CG-CG 3.57Å; F237-W245 HydrophobicContact CG-CG 3.57Å; F237-W245 AromaticContact CG-NE1 3.96Å; F237-W245 HydrophobicContact CZ-CB 4.17Å; F237-R250 PolarHBondContact O-NH1 3.04Å; F237-R250 PolarHBondContact O-NH2 3.15Å
238G88.9Confident87.8Confident5 Ų561 Ų615%0.05229%0.287CS..THydrogen-bonded Turntrans6432.2-178.800000113.7S234 V236 Q253S234-G238 VanDerWaalsContact O-CA 3.27Å; S234-G238 WeakPolarHBondContact O-CA 3.33Å; S234-G238 PolarHBondContact O-N 2.98Å; V236-G238 VanDerWaalsContact C-N 3.29Å; V236-G238 PolarHBondContact O-N 2.9Å; G238-Q253 CarbonylContact C-O 3.2Å; G238-Q253 VanDerWaalsContact C-O 3.27Å; G238-Q253 WeakPolarHBondContact CA-O 3.46Å
239T88.9Confident87.5Confident16 Ų1662.7 Ų62.710%0.09829%0.287CS..  trans-166148.5174.6-168.20000111.3S234 F237 W241 L244 W245S234-T239 WeakPolarHBondContact CA-O 3.34Å; S234-T239 WeakPolarHBondContact CB-O 3.3Å; S234-T239 PolarHBondContact O-N 3.46Å; S234-T239 VanDerWaalsContact O-N 3.13Å; S234-T239 PolarHBondContact OG-O 2.87Å; F237-T239 VanDerWaalsContact C-N 3.3Å; F237-T239 PolarHBondContact O-N 2.75Å; T239-W241 VanDerWaalsContact C-N 3.33Å; T239-W241 HydrophobicContact CG2-CB 4.48Å; T239-W241 WeakPolarHBondContact CG2-O 3.27Å; T239-W241 PolarHBondContact OG1-N 2.98Å; T239-L244 HydrophobicContact CG2-CB 4.03Å; T239-L244 HydrophobicContact CG2-CD1 4.36Å; T239-W245 PolarHBondContact O-NE1 3.44Å
240H87.6Confident87.6Confident128 Ų12859.1 Ų59.159%0.59327%0.274SS*.SBendtrans-80.2-15.8169.8-62.9-63.7000113.2S234 K242S234-H240 WeakPolarHBondContact CB-ND1 3.33Å; S234-H240 PolarHBondContact OG-ND1 3.32Å; H240-K242 PolarHBondContact O-N 2.99Å
241W87.3Confident87.3Confident187 Ų18761.5 Ų61.571%0.70829%0.285SS*.  trans-81.7101.7-178.5-63.395.3000111.4T239 I243 L244T239-W241 VanDerWaalsContact C-N 3.33Å; T239-W241 HydrophobicContact CG2-CB 4.48Å; T239-W241 WeakPolarHBondContact CG2-O 3.27Å; T239-W241 PolarHBondContact OG1-N 2.98Å; W241-I243 VanDerWaalsContact C-N 3.29Å; W241-I243 PolarHBondContact O-N 2.95Å; W241-L244 HydrophobicContact CB-CB 4.44Å; W241-L244 HydrophobicContact CB-CD1 3.7Å; W241-L244 HydrophobicContact CB-CG 3.75Å; W241-L244 HydrophobicContact CG-CD1 4.26Å; W241-L244 WeakPolarHBondContact O-CB 3.25Å; W241-L244 PolarHBondContact O-N 2.99Å; W241-L244 VanDerWaalsContact O-N 3.09Å
242K88.4Confident87.2Confident100 Ų10061 Ų6144%0.43528%0.28SS..G310 helixtrans-57.1-36.2-174.6-60.1176.7-176.3170.60114.1H240 L244 W245H240-K242 PolarHBondContact O-N 2.99Å; K242-L244 PolarHBondContact O-N 2.92Å; K242-W245 HydrophobicContact CB-CD2 4.41Å; K242-W245 HydrophobicContact CB-CE3 4.43Å; K242-W245 HydrophobicContact CG-CH2 3.91Å; K242-W245 HydrophobicContact CG-CZ2 3.98Å; K242-W245 HydrophobicContact CG-CZ3 4.24Å; K242-W245 WeakPolarHBondContact O-CB 3.29Å; K242-W245 VanDerWaalsContact O-CG 3.24Å; K242-W245 PolarHBondContact O-N 2.85Å; K242-W245 VanDerWaalsContact O-N 3.1Å
243I86.3Confident87Confident130 Ų13068 Ų6867%0.66731%0.313SS*.G310 helixtrans-62.9-32.2-179.6-158.7163000112W241 W245 F246W241-I243 VanDerWaalsContact C-N 3.29Å; W241-I243 PolarHBondContact O-N 2.95Å; I243-W245 PolarHBondContact O-N 3.43Å; I243-F246 PolarHBondContact O-N 3.36Å
244L87.4Confident86.5Confident53 Ų5370.4 Ų70.428%0.27733%0.33SS..G310 helixtrans-71.4-13.1179.9-56.7-175000112.7T239 W241 K242 F246 I247 R250T239-L244 HydrophobicContact CG2-CB 4.03Å; T239-L244 HydrophobicContact CG2-CD1 4.36Å; W241-L244 HydrophobicContact CB-CB 4.44Å; W241-L244 HydrophobicContact CB-CD1 3.7Å; W241-L244 HydrophobicContact CB-CG 3.75Å; W241-L244 HydrophobicContact CG-CD1 4.26Å; W241-L244 WeakPolarHBondContact O-CB 3.25Å; W241-L244 PolarHBondContact O-N 2.99Å; W241-L244 VanDerWaalsContact O-N 3.09Å; K242-L244 PolarHBondContact O-N 2.92Å; L244-F246 PolarHBondContact O-N 3.44Å; L244-I247 HydrophobicContact CD2-CD1 3.48Å; L244-I247 VanDerWaalsContact CD2-CD1 3.48Å; L244-I247 PolarHBondContact O-N 3.31Å; L244-R250 PolarHBondContact O-NE 3.46Å
245W86.9Confident86Confident19 Ų1973.5 Ų73.57%0.07235%0.346CS..G310 helixtrans-66.3-29.4176.3-59.5-4.2000111.4Q137 W229 F233 F237 T239 K242 I243Q137-W245 PolarHBondContact NE2-O 3.28Å; W229-W245 HydrophobicContact CZ3-CH2 4.25Å; F233-W245 HydrophobicContact CB-CH2 3.43Å; F233-W245 VanDerWaalsContact CB-CH2 3.43Å; F233-W245 HydrophobicContact CB-CZ2 3.83Å; F233-W245 HydrophobicContact CB-CZ3 3.99Å; F233-W245 HydrophobicContact CD1-CE3 4.34Å; F233-W245 HydrophobicContact CD1-CH2 4.15Å; F233-W245 AromaticContact CD1-CZ3 3.8Å; F233-W245 HydrophobicContact CD1-CZ3 3.8Å; F233-W245 HydrophobicContact CG-CH2 4.09Å; F233-W245 HydrophobicContact CG-CZ3 4.19Å; F237-W245 HydrophobicContact CB-CD2 4.38Å; F237-W245 HydrophobicContact CB-CG 3.91Å; F237-W245 HydrophobicContact CD1-CB 3.57Å; F237-W245 AromaticContact CD1-CD1 3.93Å; F237-W245 AromaticContact CD1-CG 3.73Å; F237-W245 HydrophobicContact CD1-CG 3.73Å; F237-W245 HydrophobicContact CD2-CB 4.41Å; F237-W245 AromaticContact CD2-CD2 3.87Å; F237-W245 HydrophobicContact CD2-CD2 3.87Å; F237-W245 HydrophobicContact CD2-CE3 4.3Å; F237-W245 AromaticContact CD2-CG 3.92Å; F237-W245 HydrophobicContact CD2-CG 3.92Å; F237-W245 HydrophobicContact CE1-CB 3.68Å; F237-W245 HydrophobicContact CE1-CG 4.21Å; F237-W245 HydrophobicContact CE2-CD2 4.29Å; F237-W245 HydrophobicContact CE2-CE3 4.34Å; F237-W245 HydrophobicContact CE2-CG 4.4Å; F237-W245 HydrophobicContact CG-CB 3.96Å; F237-W245 AromaticContact CG-CD1 3.57Å; F237-W245 HydrophobicContact CG-CD2 4Å; F237-W245 AromaticContact CG-CG 3.57Å; F237-W245 HydrophobicContact CG-CG 3.57Å; F237-W245 AromaticContact CG-NE1 3.96Å; F237-W245 HydrophobicContact CZ-CB 4.17Å; T239-W245 PolarHBondContact O-NE1 3.44Å; K242-W245 HydrophobicContact CB-CD2 4.41Å; K242-W245 HydrophobicContact CB-CE3 4.43Å; K242-W245 HydrophobicContact CG-CH2 3.91Å; K242-W245 HydrophobicContact CG-CZ2 3.98Å; K242-W245 HydrophobicContact CG-CZ3 4.24Å; K242-W245 WeakPolarHBondContact O-CB 3.29Å; K242-W245 VanDerWaalsContact O-CG 3.24Å; K242-W245 PolarHBondContact O-N 2.85Å; K242-W245 VanDerWaalsContact O-N 3.1Å; I243-W245 PolarHBondContact O-N 3.43Å
246F86.3Confident84.9Confident104 Ų10476.8 Ų76.846%0.45636%0.357SS..G310 helixtrans-102.78-178.1-51.6-77.4000113.3F140 Y141 I243 L244 P248F140-F246 HydrophobicContact CD1-CD1 4.14Å; F140-F246 HydrophobicContact CD2-CE1 4.39Å; F140-F246 AromaticContact CE1-CD1 3.75Å; F140-F246 HydrophobicContact CE1-CD1 3.75Å; F140-F246 HydrophobicContact CE1-CE1 4.31Å; F140-F246 HydrophobicContact CE2-CD1 4.32Å; F140-F246 HydrophobicContact CE2-CE1 4.06Å; F140-F246 AromaticContact CZ-CD1 3.83Å; F140-F246 HydrophobicContact CZ-CD1 3.83Å; F140-F246 AromaticContact CZ-CE1 4Å; F140-F246 HydrophobicContact CZ-CE1 4Å; Y141-F246 PolarHBondContact OH-O 3.35Å; I243-F246 PolarHBondContact O-N 3.36Å; L244-F246 PolarHBondContact O-N 3.44Å; F246-P248 WeakPolarHBondContact O-CD 3.45Å
247I86.6Confident83.2Confident71 Ų7180.4 Ų80.436%0.36438%0.379SS..  trans-85.3118.4177-64.5-175.2000108.8Q137 L244 R250Q137-I247 PolarHBondContact NE2-O 2.83Å; Q137-I247 VanDerWaalsContact NE2-O 3.16Å; L244-I247 HydrophobicContact CD2-CD1 3.48Å; L244-I247 VanDerWaalsContact CD2-CD1 3.48Å; L244-I247 PolarHBondContact O-N 3.31Å; I247-R250 HydrophobicContact CG2-CB 4.37Å
248P75.3Confident81.3Confident28 Ų2883 Ų8318%0.18240%0.397CS..THydrogen-bonded Turntrans-68.7153.517530-31.6000109.6F59 Y141 F246 R250F59-P248 HydrophobicContact CD1-CB 3.98Å; F59-P248 HydrophobicContact CD1-CG 3.72Å; F59-P248 HydrophobicContact CD2-CG 4.27Å; F59-P248 HydrophobicContact CE1-CB 4.24Å; F59-P248 HydrophobicContact CE1-CG 3.52Å; F59-P248 HydrophobicContact CE2-CG 4.08Å; F59-P248 HydrophobicContact CG-CB 4.32Å; F59-P248 HydrophobicContact CG-CG 4.11Å; F59-P248 HydrophobicContact CZ-CG 3.71Å; Y141-P248 WeakPolarHBondContact OH-CD 3.49Å; F246-P248 WeakPolarHBondContact O-CD 3.45Å; P248-R250 PolarHBondContact O-N 3.39Å
249F83.3Confident79.2Confident117 Ų11790.1 Ų90.151%0.51342%0.423SS..THydrogen-bonded Turntrans68.4-4.2177.1-44.2-73.9000117.9F59 A62F59-F249 HydrophobicContact CD1-CE2 4.23Å; F59-F249 HydrophobicContact CE1-CE2 4.13Å; A62-F249 HydrophobicContact CB-CE1 3.47Å; A62-F249 VanDerWaalsContact CB-CE1 3.47Å; A62-F249 HydrophobicContact CB-CZ 3.54Å
250R87.7Confident77Confident37 Ų3794.9 Ų94.914%0.1445%0.445CS..PPolyproline II helixtrans-58.9147174.1-170.6-165.164.2154.1-0.4111.8R66 W133 F237 L244 I247 P248R66-R250 PolarHBondContact NH2-O 3.31Å; W133-R250 WeakPolarHBondContact CH2-O 2.91Å; F237-R250 PolarHBondContact O-NH1 3.04Å; F237-R250 PolarHBondContact O-NH2 3.15Å; L244-R250 PolarHBondContact O-NE 3.46Å; I247-R250 HydrophobicContact CG2-CB 4.37Å; P248-R250 PolarHBondContact O-N 3.39Å
251Q84.7Confident75.3Confident152 Ų15289.6 Ų89.671%0.7142%0.42SS*.PPolyproline II helixtrans-87.5139.2167.7-65.9-177.3-4.100111.1
252R86.2Confident73.1Confident48 Ų4883 Ų8318%0.18141%0.406CS..PPolyproline II helixtrans-77.9130.6175.1176.9172.3177.8-100.52.4109.8D130 W133 E235 V236D130-R252 IonicContact OD1-NH1 3.82Å; W133-R252 HydrophobicContact CD2-CB 4.46Å; W133-R252 HydrophobicContact CZ2-CB 3.76Å; E235-R252 PolarHBondContact O-NH2 2.96Å; V236-R252 PolarHBondContact O-NE 3.35Å
253Q84Confident70.7Confident153 Ų15381.4 Ų81.472%0.71540%0.401SS*.  trans-108.7110.9168.9-67.5-173.9-9.900108.3G238 L255G238-Q253 CarbonylContact C-O 3.2Å; G238-Q253 VanDerWaalsContact C-O 3.27Å; G238-Q253 WeakPolarHBondContact CA-O 3.46Å; Q253-L255 PolarHBondContact O-N 3.19Å
254P79.1Confident68.6Low66 Ų6677 Ų7743%0.42938%0.378SS..  trans-59.1130.1178.2-22.933.5000110.9R256P254-R256 WeakPolarHBondContact CB-O 3.48Å; P254-R256 PolarHBondContact O-N 3.41Å
255L79.3Confident66.1Low71 Ų7177.2 Ų77.237%0.37238%0.382SS..SBendtrans-71.6-14.3178.1-68.5176.4000113.4S234 Q253S234-L255 WeakPolarHBondContact O-CD1 3.13Å; Q253-L255 PolarHBondContact O-N 3.19Å
256R66.6Low65Low94 Ų9480.2 Ų80.236%0.35540%0.397SS..SBendtrans-128.7148.3176.4-69.4177.9178.1-175.9-12.1109.1E235 P254 N263E235-R256 IonicContact OE1-CZ 3.84Å; E235-R256 IonicContact OE1-NH1 2.73Å; P254-R256 WeakPolarHBondContact CB-O 3.48Å; P254-R256 PolarHBondContact O-N 3.41Å; R256-N263 VanDerWaalsContact CZ-CG 3.5Å; R256-N263 PolarHBondContact NH1-ND2 3.42Å; R256-N263 PolarHBondContact NH1-OD1 2.93Å; R256-N263 VanDerWaalsContact NH1-OD1 3.08Å
257V54.8Low63.9Low95 Ų9578.9 Ų78.958%0.57639%0.394SS*.  trans-60.6135.9176.4-1740000108.8Y259 H260V257-Y259 HydrophobicContact CG1-CD2 4.36Å; V257-Y259 PolarHBondContact O-N 3.43Å; V257-H260 PolarHBondContact O-N 2.83Å
258P51.1Low62.7Low68 Ų6879.3 Ų79.344%0.44240%0.396SS..THydrogen-bonded Turntrans-57.8-7.6-175.3-24.131.7000116.4
259Y45Very low61.9Low155 Ų15582.4 Ų82.461%0.60841%0.408SS*.THydrogen-bonded Turntrans-114.10.8-168.9-66.1-75.1000114.7V257 F261V257-Y259 HydrophobicContact CG1-CD2 4.36Å; V257-Y259 PolarHBondContact O-N 3.43Å; Y259-F261 PolarHBondContact O-N 3.42Å
260H43.9Very low60.6Low117 Ų11780.2 Ų80.254%0.54240%0.402SS..  trans-92.884.2170-89-57.3000109.8V257 A262V257-H260 PolarHBondContact O-N 2.83Å; H260-A262 PolarHBondContact O-N 2.91Å
261F51.5Low58.8Low16 Ų1683.1 Ų83.17%0.0742%0.419CS..G310 helixtrans-69.4-15.2175.2-62.9-83.8000112.1E85 W89 P100 Y259 N263 H264E85-F261 PolarHBondContact OE1-N 3.1Å; E85-F261 WeakPolarHBondContact OE2-CB 3.42Å; E85-F261 WeakPolarHBondContact OE2-CD2 3.32Å; W89-F261 AromaticContact CH2-CE2 3.99Å; W89-F261 HydrophobicContact CH2-CE2 3.99Å; W89-F261 AromaticContact CH2-CZ 3.95Å; W89-F261 HydrophobicContact CH2-CZ 3.95Å; W89-F261 HydrophobicContact CZ2-CD1 4.46Å; W89-F261 AromaticContact CZ2-CD2 3.65Å; W89-F261 HydrophobicContact CZ2-CD2 3.65Å; W89-F261 HydrophobicContact CZ2-CE1 4.29Å; W89-F261 AromaticContact CZ2-CE2 3.44Å; W89-F261 HydrophobicContact CZ2-CE2 3.44Å; W89-F261 VanDerWaalsContact CZ2-CE2 3.44Å; W89-F261 HydrophobicContact CZ2-CG 4.16Å; W89-F261 AromaticContact CZ2-CZ 3.78Å; W89-F261 HydrophobicContact CZ2-CZ 3.78Å; P100-F261 HydrophobicContact CB-CD1 3.88Å; P100-F261 HydrophobicContact CB-CE1 4.16Å; P100-F261 HydrophobicContact CG-CD1 3.51Å; P100-F261 HydrophobicContact CG-CE1 3.3Å; P100-F261 HydrophobicContact CG-CG 4.4Å; P100-F261 HydrophobicContact CG-CZ 4.04Å; Y259-F261 PolarHBondContact O-N 3.42Å; F261-N263 PolarHBondContact O-N 3.04Å; F261-H264 PolarHBondContact O-N 3.24Å
262A41.7Very low56.9Low50 Ų5078.1 Ų78.141%0.41340%0.398SS..G310 helixtrans-52.7-1817300000115.1E85 H260E85-A262 PolarHBondContact OE1-N 3.42Å; H260-A262 PolarHBondContact O-N 2.91Å
263N37.6Very low54.7Low65 Ų6580.5 Ų80.535%0.34842%0.415SS..G310 helixtrans-107.74.8-172.5-97.9-36.6000114.5K227 R256 F261K227-N263 PolarHBondContact NZ-O 3.29Å; R256-N263 VanDerWaalsContact CZ-CG 3.5Å; R256-N263 PolarHBondContact NH1-ND2 3.42Å; R256-N263 PolarHBondContact NH1-OD1 2.93Å; R256-N263 VanDerWaalsContact NH1-OD1 3.08Å; F261-N263 PolarHBondContact O-N 3.04Å
264H41Very low52.2Low37 Ų3774.4 Ų74.417%0.17139%0.39CS..  trans-88.36.1165.3-65.9-54.6000113E129 R224 F261E129-H264 IonicContact OE1-CE1 2.71Å; E129-H264 PolarHBondContact OE1-CE1 3Å; E129-H264 IonicContact OE1-NE2 3.55Å; R224-H264 VanDerWaalsContact CZ-O 3.23Å; R224-H264 PolarHBondContact NH1-O 3.14Å; R224-H264 PolarHBondContact NH2-O 3.11Å; F261-H264 PolarHBondContact O-N 3.24Å
265V35.2Very low49.8Very low59 Ų5975.2 Ų75.236%0.35839%0.387SS..  trans-85.50162-169.10000109.5F88 I222 R224F88-V265 HydrophobicContact CD1-CG2 4.43Å; F88-V265 HydrophobicContact CE1-CG2 4.06Å; F88-V265 HydrophobicContact CZ-CG2 4.45Å; I222-V265 HydrophobicContact CG2-CG1 4.13Å; R224-V265 WeakPolarHBondContact CB-OXT 3.4Å; R224-V265 WeakPolarHBondContact CD-OXT 3.19Å; R224-V265 WeakPolarHBondContact CG-OXT 3.1Å; R224-V265 PolarHBondContact NE-OXT 3.08Å

Retrieved 265 of 265 residues in 78.9 ms (Link to these results)

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