A0A087X6T6_POEFO Loading...

Fat storage inducing transmembrane protein 2

AlphaFold DB , UniProt , Accession A0A087X6T6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 257 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
1V60.6Low88.2Confident149 Ų14973.3 Ų73.390%0.90342%0.423SS*.  01270-174.20000108.2M3 I6V1-M3 PolarHBondContact O-N 3.12Å; V1-I6 HydrophobicContact CB-CD1 4.45Å; V1-I6 HydrophobicContact CG1-CD1 3.34Å; V1-I6 HydrophobicContact CG1-CG1 4.01Å
2N82.4Confident88.9Confident113 Ų11378 Ų7860%0.60444%0.438SS*.  trans-74.6108.4-179.4-176.1-8.4000109.6A4 A5 I6N2-A4 VanDerWaalsContact C-N 3.28Å; N2-A4 PolarHBondContact O-N 3.27Å; N2-A4 PolarHBondContact OD1-N 3.06Å; N2-A5 HydrophobicContact CB-CB 4.05Å; N2-A5 WeakPolarHBondContact O-CB 3.47Å; N2-A5 PolarHBondContact O-N 3.37Å; N2-A5 VanDerWaalsContact O-N 3.14Å; N2-I6 PolarHBondContact O-N 2.93Å
3M84.6Confident89.5Confident87 Ų8774.8 Ų74.843%0.42942%0.42SS..Hα-helixtrans-63.7-33.8-175.7-67.4-60.4167.300112.6V1 A5 I6 D7 T184V1-M3 PolarHBondContact O-N 3.12Å; M3-A5 VanDerWaalsContact C-N 3.3Å; M3-A5 PolarHBondContact O-N 3.46Å; M3-I6 PolarHBondContact O-N 3.43Å; M3-I6 HydrophobicContact SD-CD1 3.97Å; M3-D7 PolarHBondContact O-N 3.18Å; M3-T184 HydrophobicContact CE-CG2 3.62Å; M3-T184 HydrophobicContact SD-CG2 3.55Å; M3-T184 VanDerWaalsContact SD-CG2 3.55Å
4A87.2Confident89.8Confident61 Ų6170.7 Ų70.750%0.50440%0.397SS..Hα-helixtrans-63.9-37175.600000111.9N2 D7 V8N2-A4 VanDerWaalsContact C-N 3.28Å; N2-A4 PolarHBondContact O-N 3.27Å; N2-A4 PolarHBondContact OD1-N 3.06Å; A4-D7 PolarHBondContact O-N 3.43Å; A4-V8 WeakPolarHBondContact O-CG2 3.48Å; A4-V8 PolarHBondContact O-N 3.5Å; A4-V8 VanDerWaalsContact O-N 3.13Å
5A91.7Very high90.2Very high46 Ų4669.9 Ų69.938%0.3840%0.398SS..Hα-helixtrans-67.1-39176.100000111.8N2 M3 V8 I9N2-A5 HydrophobicContact CB-CB 4.05Å; N2-A5 WeakPolarHBondContact O-CB 3.47Å; N2-A5 PolarHBondContact O-N 3.37Å; N2-A5 VanDerWaalsContact O-N 3.14Å; M3-A5 VanDerWaalsContact C-N 3.3Å; M3-A5 PolarHBondContact O-N 3.46Å; A5-V8 PolarHBondContact O-N 3.13Å; A5-I9 VanDerWaalsContact O-CG1 3.31Å; A5-I9 WeakPolarHBondContact O-CG1 3.38Å; A5-I9 PolarHBondContact O-N 3.39Å; A5-I9 VanDerWaalsContact O-N 3.08Å
6I92.4Very high90.5Very high17 Ų1770.7 Ų70.79%0.08740%0.4CS..Hα-helixtrans-62.5-46.9174.5-68.3168.2000110.5V1 N2 M3 V8 I9 V10 N187 L188 V191V1-I6 HydrophobicContact CB-CD1 4.45Å; V1-I6 HydrophobicContact CG1-CD1 3.34Å; V1-I6 HydrophobicContact CG1-CG1 4.01Å; N2-I6 PolarHBondContact O-N 2.93Å; M3-I6 PolarHBondContact O-N 3.43Å; M3-I6 HydrophobicContact SD-CD1 3.97Å; I6-V8 VanDerWaalsContact C-N 3.28Å; I6-V8 PolarHBondContact O-N 2.99Å; I6-I9 PolarHBondContact O-N 3.46Å; I6-I9 VanDerWaalsContact O-N 3.13Å; I6-V10 HydrophobicContact CG2-CG2 4.03Å; I6-V10 VanDerWaalsContact O-CG2 3.32Å; I6-V10 WeakPolarHBondContact O-CG2 3.38Å; I6-V10 PolarHBondContact O-N 3.42Å; I6-N187 HydrophobicContact CG2-CB 3.78Å; I6-L188 HydrophobicContact CD1-CD2 3.5Å; I6-L188 HydrophobicContact CD1-CG 4.39Å; I6-V191 HydrophobicContact CG2-CG2 4.44Å
7D91.1Very high90.7Very high45 Ų4568.2 Ų68.224%0.24138%0.383CS..Hα-helixtrans-56.7-43.5179-80.3-49.8000111.3M3 A4 I9 V10 E11 R183 N187M3-D7 PolarHBondContact O-N 3.18Å; A4-D7 PolarHBondContact O-N 3.43Å; D7-I9 PolarHBondContact O-N 3.21Å; D7-V10 PolarHBondContact O-N 3.46Å; D7-E11 WeakPolarHBondContact O-CG 3.38Å; D7-E11 PolarHBondContact O-N 3.31Å; D7-R183 IonicContact OD1-CZ 2.94Å; D7-R183 IonicContact OD1-NE 3.04Å; D7-R183 PolarHBondContact OD1-NE 2.94Å; D7-R183 IonicContact OD1-NH2 3.78Å; D7-R183 PolarHBondContact OD1-NH2 3.46Å; D7-R183 IonicContact OD2-NH2 3.45Å; D7-N187 PolarHBondContact OD1-ND2 3.07Å
8V94.7Very high90.7Very high82 Ų8273.7 Ų73.750%0.49740%0.397SS..Hα-helixtrans-60.7-45175.8172.90000111.7A4 A5 I6 V10 E11 Q12A4-V8 WeakPolarHBondContact O-CG2 3.48Å; A4-V8 PolarHBondContact O-N 3.5Å; A4-V8 VanDerWaalsContact O-N 3.13Å; A5-V8 PolarHBondContact O-N 3.13Å; I6-V8 VanDerWaalsContact C-N 3.28Å; I6-V8 PolarHBondContact O-N 2.99Å; V8-V10 VanDerWaalsContact C-N 3.35Å; V8-V10 PolarHBondContact O-N 3.42Å; V8-E11 PolarHBondContact O-N 2.95Å; V8-Q12 WeakPolarHBondContact O-CG 3.46Å; V8-Q12 PolarHBondContact O-N 3.33Å
9I95.8Very high90.9Very high77 Ų7774 Ų7440%0.39540%0.397SS..Hα-helixtrans-62-44.9177.7-67.8164.9000110.5A5 I6 D7 Q12 L13 V191A5-I9 VanDerWaalsContact O-CG1 3.31Å; A5-I9 WeakPolarHBondContact O-CG1 3.38Å; A5-I9 PolarHBondContact O-N 3.39Å; A5-I9 VanDerWaalsContact O-N 3.08Å; I6-I9 PolarHBondContact O-N 3.46Å; I6-I9 VanDerWaalsContact O-N 3.13Å; D7-I9 PolarHBondContact O-N 3.21Å; I9-Q12 PolarHBondContact O-N 2.93Å; I9-L13 HydrophobicContact CG2-CD1 3.83Å; I9-L13 HydrophobicContact CG2-CG 4.35Å; I9-L13 WeakPolarHBondContact O-CB 3.37Å; I9-L13 VanDerWaalsContact O-CG 3.31Å; I9-L13 WeakPolarHBondContact O-CG 3.24Å; I9-L13 PolarHBondContact O-N 3.29Å; I9-V191 HydrophobicContact CG2-CG2 3.99Å
10V95.8Very high90.9Very high7 Ų774.8 Ų74.84%0.04241%0.406CS..Hα-helixtrans-61-46.6178.5171.40000110.6I6 D7 V8 Q12 L13 V14 N187 Y190 V191I6-V10 HydrophobicContact CG2-CG2 4.03Å; I6-V10 VanDerWaalsContact O-CG2 3.32Å; I6-V10 WeakPolarHBondContact O-CG2 3.38Å; I6-V10 PolarHBondContact O-N 3.42Å; D7-V10 PolarHBondContact O-N 3.46Å; V8-V10 VanDerWaalsContact C-N 3.35Å; V8-V10 PolarHBondContact O-N 3.42Å; V10-Q12 VanDerWaalsContact C-N 3.34Å; V10-Q12 PolarHBondContact O-N 3.45Å; V10-L13 PolarHBondContact O-N 3.13Å; V10-V14 HydrophobicContact CG1-CG2 4.14Å; V10-V14 WeakPolarHBondContact O-CB 3.31Å; V10-V14 VanDerWaalsContact O-CG2 3.26Å; V10-V14 WeakPolarHBondContact O-CG2 3.38Å; V10-V14 PolarHBondContact O-N 3.18Å; V10-N187 HydrophobicContact CG2-CB 3.81Å; V10-Y190 HydrophobicContact CB-CD1 4.46Å; V10-Y190 HydrophobicContact CG1-CD1 3.93Å; V10-Y190 HydrophobicContact CG1-CE1 4.21Å; V10-Y190 HydrophobicContact CG2-CD1 4.22Å; V10-V191 HydrophobicContact CG2-CG2 3.78Å
11E94.2Very high91.1Very high122 Ų12273.2 Ų73.257%0.5740%0.403SS*.Hα-helixtrans-60.4-42.1177.5-73.9-64.1160.300112.2D7 V8 V14 S15D7-E11 WeakPolarHBondContact O-CG 3.38Å; D7-E11 PolarHBondContact O-N 3.31Å; V8-E11 PolarHBondContact O-N 2.95Å; E11-V14 PolarHBondContact O-N 3.19Å; E11-S15 VanDerWaalsContact O-CB 3.22Å; E11-S15 WeakPolarHBondContact O-CB 3.3Å; E11-S15 PolarHBondContact O-N 3.06Å
12Q96.3Very high92.7Very high130 Ų13068.1 Ų68.161%0.60737%0.373SS*.Hα-helixtrans-63-46.1175.5-73.8-178.9-9.400112V8 I9 V10 S15 L16V8-Q12 WeakPolarHBondContact O-CG 3.46Å; V8-Q12 PolarHBondContact O-N 3.33Å; I9-Q12 PolarHBondContact O-N 2.93Å; V10-Q12 VanDerWaalsContact C-N 3.34Å; V10-Q12 PolarHBondContact O-N 3.45Å; Q12-S15 WeakPolarHBondContact O-CB 3.05Å; Q12-S15 PolarHBondContact O-N 3.29Å; Q12-L16 WeakPolarHBondContact O-CB 3.38Å; Q12-L16 PolarHBondContact O-N 2.64Å
13L96.4Very high93.2Very high37 Ų3764.2 Ų64.219%0.19435%0.349CS..Hα-helixtrans-63.9-45.5177.6-72.1171.8000111.5I9 V10 S15 L16 W17 Y190 V191 N194I9-L13 HydrophobicContact CG2-CD1 3.83Å; I9-L13 HydrophobicContact CG2-CG 4.35Å; I9-L13 WeakPolarHBondContact O-CB 3.37Å; I9-L13 VanDerWaalsContact O-CG 3.31Å; I9-L13 WeakPolarHBondContact O-CG 3.24Å; I9-L13 PolarHBondContact O-N 3.29Å; V10-L13 PolarHBondContact O-N 3.13Å; L13-S15 VanDerWaalsContact C-N 3.32Å; L13-S15 PolarHBondContact O-N 3.27Å; L13-L16 WeakPolarHBondContact O-CB 3.38Å; L13-L16 PolarHBondContact O-N 3.47Å; L13-W17 PolarHBondContact O-N 3.17Å; L13-Y190 HydrophobicContact CB-CE1 3.68Å; L13-Y190 HydrophobicContact CD1-CE1 4.31Å; L13-V191 HydrophobicContact CD1-CG2 4.4Å; L13-N194 HydrophobicContact CD1-CB 3.89Å; L13-N194 HydrophobicContact CD2-CB 4.23Å
14V94.6Very high93.6Very high17 Ų1766.2 Ų66.210%0.10336%0.358CS..Hα-helixtrans-59.7-44.2175.2169.80000110.5V10 E11 L16 W17 R18 M173 T174 Y190V10-V14 HydrophobicContact CG1-CG2 4.14Å; V10-V14 WeakPolarHBondContact O-CB 3.31Å; V10-V14 VanDerWaalsContact O-CG2 3.26Å; V10-V14 WeakPolarHBondContact O-CG2 3.38Å; V10-V14 PolarHBondContact O-N 3.18Å; E11-V14 PolarHBondContact O-N 3.19Å; V14-L16 PolarHBondContact O-N 2.91Å; V14-W17 PolarHBondContact O-N 2.83Å; V14-R18 VanDerWaalsContact O-CB 3.3Å; V14-R18 WeakPolarHBondContact O-CB 3.4Å; V14-R18 PolarHBondContact O-N 3.14Å; V14-M173 HydrophobicContact CG2-CB 4.13Å; V14-T174 HydrophobicContact CG1-CG2 4.02Å; V14-Y190 HydrophobicContact CG2-CE1 3.71Å; V14-Y190 PolarHBondContact N-OH 3.29Å
15S94.8Very high94Very high59 Ų5969.8 Ų69.841%0.41336%0.362SS..Hα-helixtrans-59.2-46.5176.2-174.80000111.7E11 Q12 L13 R18 I19E11-S15 VanDerWaalsContact O-CB 3.22Å; E11-S15 WeakPolarHBondContact O-CB 3.3Å; E11-S15 PolarHBondContact O-N 3.06Å; Q12-S15 WeakPolarHBondContact O-CB 3.05Å; Q12-S15 PolarHBondContact O-N 3.29Å; L13-S15 VanDerWaalsContact C-N 3.32Å; L13-S15 PolarHBondContact O-N 3.27Å; S15-R18 WeakPolarHBondContact O-CB 3.41Å; S15-R18 PolarHBondContact O-N 3.38Å; S15-I19 PolarHBondContact O-N 2.86Å
16L95Very high94.3Very high82 Ų8268.5 Ų68.543%0.42935%0.348SS..Hα-helixtrans-57.3-53.2176.4177.668.2000111.7Q12 L13 V14 R18 I19 V22Q12-L16 WeakPolarHBondContact O-CB 3.38Å; Q12-L16 PolarHBondContact O-N 2.64Å; L13-L16 WeakPolarHBondContact O-CB 3.38Å; L13-L16 PolarHBondContact O-N 3.47Å; V14-L16 PolarHBondContact O-N 2.91Å; L16-R18 PolarHBondContact O-N 3.19Å; L16-I19 WeakPolarHBondContact O-CB 3.47Å; L16-I19 PolarHBondContact O-N 3.03Å; L16-V22 HydrophobicContact CD1-CG2 4.09Å; L16-V22 HydrophobicContact CG-CG1 4.46Å
17W94Very high94.5Very high29 Ų2968.1 Ų68.111%0.1135%0.346CS..Hα-helixtrans-69.9-17.6180-70.4112.6000113.4L13 V14 I19 V22 R23 F26 M167 N194L13-W17 PolarHBondContact O-N 3.17Å; V14-W17 PolarHBondContact O-N 2.83Å; W17-I19 VanDerWaalsContact C-N 3.28Å; W17-V22 HydrophobicContact CE3-CG1 4.19Å; W17-V22 HydrophobicContact CZ3-CG1 4.34Å; W17-R23 HydrophobicContact CE3-CG 4.2Å; W17-R23 WeakPolarHBondContact O-CD 3.31Å; W17-R23 VanDerWaalsContact O-CG 3.25Å; W17-R23 WeakPolarHBondContact O-CG 3.45Å; W17-F26 HydrophobicContact CH2-CD1 4.1Å; W17-F26 AromaticContact CH2-CD2 3.95Å; W17-F26 HydrophobicContact CH2-CD2 3.95Å; W17-F26 HydrophobicContact CH2-CE1 4.01Å; W17-F26 AromaticContact CH2-CE2 3.89Å; W17-F26 HydrophobicContact CH2-CE2 3.89Å; W17-F26 HydrophobicContact CH2-CG 4.06Å; W17-F26 AromaticContact CH2-CZ 3.92Å; W17-F26 HydrophobicContact CH2-CZ 3.92Å; W17-F26 HydrophobicContact CZ3-CB 4.36Å; W17-F26 HydrophobicContact CZ3-CD1 4.12Å; W17-F26 HydrophobicContact CZ3-CD2 4.24Å; W17-F26 HydrophobicContact CZ3-CE1 4.47Å; W17-F26 AromaticContact CZ3-CG 3.99Å; W17-F26 HydrophobicContact CZ3-CG 3.99Å; W17-M167 HydrophobicContact CE3-CG 3.88Å; W17-M167 HydrophobicContact CE3-SD 4.34Å; W17-M167 HydrophobicContact CH2-CB 4.44Å; W17-M167 HydrophobicContact CH2-CG 4.22Å; W17-M167 HydrophobicContact CZ3-CB 4.25Å; W17-M167 HydrophobicContact CZ3-CG 3.56Å; W17-M167 HydrophobicContact CZ3-SD 3.75Å; W17-N194 PolarHBondContact NE1-OD1 2.96Å
18R91.6Very high94.7Very high167 Ų16773.8 Ų73.863%0.6337%0.365SS*.Hα-helixtrans-72.4-23.5174.1-163.7174.475.2-173.93.9112.3V14 S15 L16 P20V14-R18 VanDerWaalsContact O-CB 3.3Å; V14-R18 WeakPolarHBondContact O-CB 3.4Å; V14-R18 PolarHBondContact O-N 3.14Å; S15-R18 WeakPolarHBondContact O-CB 3.41Å; S15-R18 PolarHBondContact O-N 3.38Å; L16-R18 PolarHBondContact O-N 3.19Å; R18-P20 VanDerWaalsContact O-CD 3.3Å; R18-P20 WeakPolarHBondContact O-CD 3.3Å
19I94.1Very high94.9Very high79 Ų7973 Ų7341%0.40536%0.357SS..SBendtrans-65.2118.4178.8-59.5170.7000108.9S15 L16 W17 A21 V22 R23S15-I19 PolarHBondContact O-N 2.86Å; L16-I19 WeakPolarHBondContact O-CB 3.47Å; L16-I19 PolarHBondContact O-N 3.03Å; W17-I19 VanDerWaalsContact C-N 3.28Å; I19-A21 VanDerWaalsContact C-N 3.28Å; I19-A21 HydrophobicContact CG2-CB 4.1Å; I19-A21 PolarHBondContact O-N 3.1Å; I19-V22 HydrophobicContact CB-CB 4.26Å; I19-V22 HydrophobicContact CB-CG2 3.83Å; I19-V22 HydrophobicContact CD1-CG2 4.34Å; I19-V22 HydrophobicContact CG2-CG2 3.97Å; I19-V22 PolarHBondContact O-N 2.62Å; I19-V22 VanDerWaalsContact O-N 3.13Å; I19-R23 PolarHBondContact O-N 2.93Å
20P91.1Very high95Very high90 Ų9069.3 Ų69.358%0.58434%0.338SS*.Hα-helixtrans-58.6-39.5-176.6-25.934.9000113R18 V22 R23 Q24R18-P20 VanDerWaalsContact O-CD 3.3Å; R18-P20 WeakPolarHBondContact O-CD 3.3Å; P20-V22 PolarHBondContact O-N 2.64Å; P20-R23 PolarHBondContact O-N 2.66Å; P20-Q24 WeakPolarHBondContact O-CB 3.13Å; P20-Q24 VanDerWaalsContact O-CG 3.31Å; P20-Q24 WeakPolarHBondContact O-CG 3.3Å; P20-Q24 PolarHBondContact O-N 2.94Å
21A94.6Very high95Very high41 Ų4171.6 Ų71.634%0.33935%0.35SS..Hα-helixtrans-57.6-46.3177.100000111.5I19 R23 Q24 F25I19-A21 VanDerWaalsContact C-N 3.28Å; I19-A21 HydrophobicContact CG2-CB 4.1Å; I19-A21 PolarHBondContact O-N 3.1Å; A21-R23 PolarHBondContact O-N 3.01Å; A21-Q24 PolarHBondContact O-N 2.93Å; A21-F25 HydrophobicContact CB-CD2 4Å; A21-F25 HydrophobicContact CB-CE2 4Å; A21-F25 WeakPolarHBondContact O-CB 3.22Å; A21-F25 WeakPolarHBondContact O-CD2 3.25Å; A21-F25 PolarHBondContact O-N 2.83Å
22V94.5Very high95.1Very high43 Ų4370.1 Ų70.126%0.26135%0.346SS..Hα-helixtrans-58.4-49.4179.7175.50000110.6L16 W17 I19 P20 Q24 F25 F26L16-V22 HydrophobicContact CD1-CG2 4.09Å; L16-V22 HydrophobicContact CG-CG1 4.46Å; W17-V22 HydrophobicContact CE3-CG1 4.19Å; W17-V22 HydrophobicContact CZ3-CG1 4.34Å; I19-V22 HydrophobicContact CB-CB 4.26Å; I19-V22 HydrophobicContact CB-CG2 3.83Å; I19-V22 HydrophobicContact CD1-CG2 4.34Å; I19-V22 HydrophobicContact CG2-CG2 3.97Å; I19-V22 PolarHBondContact O-N 2.62Å; I19-V22 VanDerWaalsContact O-N 3.13Å; P20-V22 PolarHBondContact O-N 2.64Å; V22-Q24 VanDerWaalsContact C-N 3.33Å; V22-Q24 PolarHBondContact O-N 3.42Å; V22-F25 PolarHBondContact O-N 3.41Å; V22-F26 VanDerWaalsContact O-CB 3.27Å; V22-F26 WeakPolarHBondContact O-CB 3.22Å; V22-F26 PolarHBondContact O-N 3.4Å
23R91.9Very high95.2Very high31 Ų3165.4 Ų65.412%0.11732%0.324CS..Hα-helixtrans-67.2-31.6179-72.1-175.673.5164.36.6113.8W17 I19 P20 A21 P27 M167 E168W17-R23 HydrophobicContact CE3-CG 4.2Å; W17-R23 WeakPolarHBondContact O-CD 3.31Å; W17-R23 VanDerWaalsContact O-CG 3.25Å; W17-R23 WeakPolarHBondContact O-CG 3.45Å; I19-R23 PolarHBondContact O-N 2.93Å; P20-R23 PolarHBondContact O-N 2.66Å; A21-R23 PolarHBondContact O-N 3.01Å; R23-P27 WeakPolarHBondContact O-CD 3.24Å; R23-M167 HydrophobicContact CG-SD 4.41Å; R23-E168 IonicContact NH2-OE2 3.87Å; R23-E168 PolarHBondContact NH2-OE2 2.91Å
24Q92.7Very high95.2Very high129 Ų12963.6 Ų63.660%0.60332%0.315SS*.Hα-helixtrans-74.9-40.1177.8-76.8177.8-16.400111.7P20 A21 V22 P27P20-Q24 WeakPolarHBondContact O-CB 3.13Å; P20-Q24 VanDerWaalsContact O-CG 3.31Å; P20-Q24 WeakPolarHBondContact O-CG 3.3Å; P20-Q24 PolarHBondContact O-N 2.94Å; A21-Q24 PolarHBondContact O-N 2.93Å; V22-Q24 VanDerWaalsContact C-N 3.33Å; V22-Q24 PolarHBondContact O-N 3.42Å; Q24-P27 WeakPolarHBondContact O-CD 3.2Å
25F96.5Very high95.2Very high135 Ų13567.2 Ų67.259%0.59233%0.333SS*.Hα-helixtrans-82-21.9-179.2-70.4-60.3000113.7A21 V22 W28 L29A21-F25 HydrophobicContact CB-CD2 4Å; A21-F25 HydrophobicContact CB-CE2 4Å; A21-F25 WeakPolarHBondContact O-CB 3.22Å; A21-F25 WeakPolarHBondContact O-CD2 3.25Å; A21-F25 PolarHBondContact O-N 2.83Å; V22-F25 PolarHBondContact O-N 3.41Å; F25-W28 CarbonylContact O-C 3.41Å; F25-W28 WeakPolarHBondContact O-CA 3.44Å; F25-W28 WeakPolarHBondContact O-CB 3.48Å; F25-W28 PolarHBondContact O-N 3.19Å; F25-L29 PolarHBondContact O-N 3.38Å
26F97.2Very high95.3Very high20 Ų2068.5 Ų68.59%0.08834%0.335CS..Hα-helixtrans-57-41.6-177.7-171.2-112000114.8W17 V22 L29 F30 L164 M167 V197 V201W17-F26 HydrophobicContact CH2-CD1 4.1Å; W17-F26 AromaticContact CH2-CD2 3.95Å; W17-F26 HydrophobicContact CH2-CD2 3.95Å; W17-F26 HydrophobicContact CH2-CE1 4.01Å; W17-F26 AromaticContact CH2-CE2 3.89Å; W17-F26 HydrophobicContact CH2-CE2 3.89Å; W17-F26 HydrophobicContact CH2-CG 4.06Å; W17-F26 AromaticContact CH2-CZ 3.92Å; W17-F26 HydrophobicContact CH2-CZ 3.92Å; W17-F26 HydrophobicContact CZ3-CB 4.36Å; W17-F26 HydrophobicContact CZ3-CD1 4.12Å; W17-F26 HydrophobicContact CZ3-CD2 4.24Å; W17-F26 HydrophobicContact CZ3-CE1 4.47Å; W17-F26 AromaticContact CZ3-CG 3.99Å; W17-F26 HydrophobicContact CZ3-CG 3.99Å; V22-F26 VanDerWaalsContact O-CB 3.27Å; V22-F26 WeakPolarHBondContact O-CB 3.22Å; V22-F26 PolarHBondContact O-N 3.4Å; F26-L29 HydrophobicContact CD2-CD2 4.2Å; F26-L29 HydrophobicContact CE2-CD2 4.32Å; F26-L29 VanDerWaalsContact O-CB 3.28Å; F26-L29 WeakPolarHBondContact O-CB 3.28Å; F26-L29 PolarHBondContact O-N 3.31Å; F26-F30 HydrophobicContact CD1-CE2 4.32Å; F26-F30 AromaticContact CE1-CE2 3.89Å; F26-F30 HydrophobicContact CE1-CE2 3.89Å; F26-F30 HydrophobicContact CE1-CZ 4.4Å; F26-F30 HydrophobicContact CE2-CE2 4.4Å; F26-F30 AromaticContact CZ-CE2 3.92Å; F26-F30 HydrophobicContact CZ-CE2 3.92Å; F26-F30 HydrophobicContact CZ-CZ 4.1Å; F26-F30 WeakPolarHBondContact O-CD2 3.37Å; F26-L164 HydrophobicContact CD1-CD2 3.88Å; F26-L164 HydrophobicContact CE1-CD2 4.2Å; F26-M167 HydrophobicContact CB-SD 3.98Å; F26-M167 HydrophobicContact CD1-CB 4.35Å; F26-M167 HydrophobicContact CD1-CE 4.2Å; F26-M167 HydrophobicContact CD1-CG 4.36Å; F26-M167 HydrophobicContact CD1-SD 3.46Å; F26-M167 WeakPolarHBondContact CD1-SD 3.43Å; F26-M167 HydrophobicContact CE1-CB 4.27Å; F26-M167 HydrophobicContact CE1-SD 4.31Å; F26-M167 HydrophobicContact CG-SD 4.06Å; F26-V197 HydrophobicContact CE2-CG1 4.46Å; F26-V197 HydrophobicContact CZ-CG1 3.71Å; F26-V201 HydrophobicContact CE2-CG2 4.05Å; F26-V201 HydrophobicContact CZ-CG2 4.09Å
27P97.2Very high95.2Very high8 Ų864.8 Ų64.85%0.05232%0.316CS..Hα-helixtrans-63.2-40.6171.3-19.731.2000113.1R23 Q24 L29 F30 L164 L225 W228R23-P27 WeakPolarHBondContact O-CD 3.24Å; Q24-P27 WeakPolarHBondContact O-CD 3.2Å; P27-L29 PolarHBondContact O-N 2.72Å; P27-F30 PolarHBondContact O-N 3.27Å; P27-L164 HydrophobicContact CB-CD2 4.03Å; P27-L164 HydrophobicContact CG-CD2 3.85Å; P27-L225 HydrophobicContact CB-CD2 3.76Å; P27-W228 HydrophobicContact CB-CH2 4.16Å; P27-W228 HydrophobicContact CB-CZ3 4Å; P27-W228 HydrophobicContact CG-CH2 3.49Å; P27-W228 VanDerWaalsContact CG-CH2 3.49Å; P27-W228 HydrophobicContact CG-CZ2 4.01Å; P27-W228 HydrophobicContact CG-CZ3 3.85Å
28W96.6Very high95.2Very high165 Ų16563.8 Ų63.863%0.62531%0.313SS*.Hα-helixtrans-66.3-27.6178.9-61.8107.5000112.7F25 F30 L31 L32F25-W28 CarbonylContact O-C 3.41Å; F25-W28 WeakPolarHBondContact O-CA 3.44Å; F25-W28 WeakPolarHBondContact O-CB 3.48Å; F25-W28 PolarHBondContact O-N 3.19Å; W28-F30 PolarHBondContact O-N 3.05Å; W28-L31 HydrophobicContact CE3-CD1 3.68Å; W28-L31 HydrophobicContact CZ3-CD1 3.78Å; W28-L31 PolarHBondContact O-N 3.16Å; W28-L31 VanDerWaalsContact O-N 3.16Å; W28-L32 PolarHBondContact O-N 3.23Å
29L97.6Very high95.3Very high64 Ų6459.3 Ų59.334%0.33530%0.301SS..Hα-helixtrans-55.3-40.2174.1-178.864.1000111.8F25 F26 P27 L32 I33 V201F25-L29 PolarHBondContact O-N 3.38Å; F26-L29 HydrophobicContact CD2-CD2 4.2Å; F26-L29 HydrophobicContact CE2-CD2 4.32Å; F26-L29 VanDerWaalsContact O-CB 3.28Å; F26-L29 WeakPolarHBondContact O-CB 3.28Å; F26-L29 PolarHBondContact O-N 3.31Å; P27-L29 PolarHBondContact O-N 2.72Å; L29-L32 PolarHBondContact O-N 3.05Å; L29-I33 HydrophobicContact CD1-CD1 3.9Å; L29-I33 HydrophobicContact CD1-CG1 4.12Å; L29-I33 HydrophobicContact CD2-CD1 4.36Å; L29-I33 HydrophobicContact CG-CD1 3.72Å; L29-I33 HydrophobicContact CG-CG1 4.33Å; L29-I33 WeakPolarHBondContact O-CB 3.43Å; L29-I33 VanDerWaalsContact O-CG1 3.24Å; L29-I33 WeakPolarHBondContact O-CG1 3.42Å; L29-I33 PolarHBondContact O-N 2.98Å; L29-V201 HydrophobicContact CD2-CG1 4.3Å
30F98Very high95.3Very high0 Ų058.9 Ų58.90%030%0.299CS..Hα-helixtrans-66.8-38.6178.7-70.1-81.2000112.5F26 P27 W28 S34 C160 S163 L164 V201 F204 T221F26-F30 HydrophobicContact CD1-CE2 4.32Å; F26-F30 AromaticContact CE1-CE2 3.89Å; F26-F30 HydrophobicContact CE1-CE2 3.89Å; F26-F30 HydrophobicContact CE1-CZ 4.4Å; F26-F30 HydrophobicContact CE2-CE2 4.4Å; F26-F30 AromaticContact CZ-CE2 3.92Å; F26-F30 HydrophobicContact CZ-CE2 3.92Å; F26-F30 HydrophobicContact CZ-CZ 4.1Å; F26-F30 WeakPolarHBondContact O-CD2 3.37Å; P27-F30 PolarHBondContact O-N 3.27Å; W28-F30 PolarHBondContact O-N 3.05Å; F30-S34 VanDerWaalsContact O-CB 3.23Å; F30-S34 WeakPolarHBondContact O-CB 3.46Å; F30-S34 PolarHBondContact O-N 3.27Å; F30-C160 HydrophobicContact CD1-CB 3.79Å; F30-C160 HydrophobicContact CE1-CB 4.16Å; F30-C160 HydrophobicContact CG-CB 4.08Å; F30-C160 VanDerWaalsContact CG-SG 3.57Å; F30-S163 VanDerWaalsContact CZ-CB 3.47Å; F30-L164 HydrophobicContact CE2-CD2 4.36Å; F30-L164 HydrophobicContact CE2-CG 4.45Å; F30-V201 HydrophobicContact CE1-CG2 4.26Å; F30-V201 HydrophobicContact CZ-CG2 3.88Å; F30-F204 HydrophobicContact CB-CE1 4.25Å; F30-F204 HydrophobicContact CB-CZ 4.08Å; F30-F204 AromaticContact CD1-CD1 3.83Å; F30-F204 HydrophobicContact CD1-CD1 3.83Å; F30-F204 AromaticContact CD1-CD2 3.86Å; F30-F204 HydrophobicContact CD1-CD2 3.86Å; F30-F204 AromaticContact CD1-CE1 3.93Å; F30-F204 HydrophobicContact CD1-CE1 3.93Å; F30-F204 AromaticContact CD1-CE2 3.93Å; F30-F204 HydrophobicContact CD1-CE2 3.93Å; F30-F204 AromaticContact CD1-CG 3.81Å; F30-F204 HydrophobicContact CD1-CG 3.81Å; F30-F204 AromaticContact CD1-CZ 3.97Å; F30-F204 HydrophobicContact CD1-CZ 3.97Å; F30-F204 HydrophobicContact CE1-CB 4.38Å; F30-F204 HydrophobicContact CE1-CD1 4.44Å; F30-F204 HydrophobicContact CE1-CD2 4.31Å; F30-F204 HydrophobicContact CE1-CG 4.13Å; F30-F204 VanDerWaalsContact O-CE1 3.27Å; F30-F204 WeakPolarHBondContact O-CE1 3.05Å; F30-F204 WeakPolarHBondContact O-CZ 3.25Å; F30-T221 HydrophobicContact CB-CG2 4.06Å
31L96.3Very high95.3Very high56 Ų5657.6 Ų57.629%0.29329%0.285SS..Hα-helixtrans-65.8-44.3174.1-69.4176.1000111.2W28 S34 L35 T221 L225W28-L31 HydrophobicContact CE3-CD1 3.68Å; W28-L31 HydrophobicContact CZ3-CD1 3.78Å; W28-L31 PolarHBondContact O-N 3.16Å; W28-L31 VanDerWaalsContact O-N 3.16Å; L31-S34 PolarHBondContact O-N 3.46Å; L31-L35 WeakPolarHBondContact O-CB 3.46Å; L31-L35 PolarHBondContact O-N 3.29Å; L31-T221 HydrophobicContact CD2-CG2 4.01Å; L31-L225 HydrophobicContact CD1-CD1 3.9Å; L31-L225 HydrophobicContact CD2-CD1 3.47Å; L31-L225 VanDerWaalsContact CD2-CD1 3.47Å; L31-L225 HydrophobicContact CG-CD1 3.5Å; L31-L225 VanDerWaalsContact CG-CD1 3.5Å
32L96.9Very high95.1Very high91 Ų9162.3 Ų62.348%0.47630%0.3SS..Hα-helixtrans-61-47.8177.9-177.265.7000111.4W28 L29 S34 L35 L36W28-L32 PolarHBondContact O-N 3.23Å; L29-L32 PolarHBondContact O-N 3.05Å; L32-S34 VanDerWaalsContact C-N 3.34Å; L32-S34 PolarHBondContact O-N 3.29Å; L32-L35 PolarHBondContact O-N 2.9Å; L32-L36 HydrophobicContact CD1-CD1 3.69Å; L32-L36 HydrophobicContact CD1-CG 3.91Å; L32-L36 HydrophobicContact CD2-CD1 4.45Å; L32-L36 HydrophobicContact CG-CD1 3.79Å; L32-L36 HydrophobicContact CG-CG 4.29Å; L32-L36 VanDerWaalsContact O-CB 3.31Å; L32-L36 WeakPolarHBondContact O-CB 3.26Å; L32-L36 WeakPolarHBondContact O-CG 3.38Å; L32-L36 PolarHBondContact O-N 3.41Å
33I97.3Very high95Very high30 Ų3065.5 Ų65.515%0.15432%0.315CS..Hα-helixtrans-62.9-42177.4-68.5169.2000110.9L29 G37 V201 F204 A205L29-I33 HydrophobicContact CD1-CD1 3.9Å; L29-I33 HydrophobicContact CD1-CG1 4.12Å; L29-I33 HydrophobicContact CD2-CD1 4.36Å; L29-I33 HydrophobicContact CG-CD1 3.72Å; L29-I33 HydrophobicContact CG-CG1 4.33Å; L29-I33 WeakPolarHBondContact O-CB 3.43Å; L29-I33 VanDerWaalsContact O-CG1 3.24Å; L29-I33 WeakPolarHBondContact O-CG1 3.42Å; L29-I33 PolarHBondContact O-N 2.98Å; I33-G37 WeakPolarHBondContact O-CA 3.35Å; I33-G37 PolarHBondContact O-N 3.29Å; I33-V201 HydrophobicContact CD1-CG1 4.05Å; I33-F204 HydrophobicContact CB-CD1 4.1Å; I33-F204 HydrophobicContact CB-CE1 3.92Å; I33-F204 HydrophobicContact CG2-CD1 3.61Å; I33-F204 HydrophobicContact CG2-CE1 3.76Å; I33-A205 HydrophobicContact CG2-CB 3.8Å
34S96.4Very high94.8Very high0 Ų070 Ų700%034%0.341CS..Hα-helixtrans-64-43.9179.3-168.10000111.5F30 L31 L32 S38 T221F30-S34 VanDerWaalsContact O-CB 3.23Å; F30-S34 WeakPolarHBondContact O-CB 3.46Å; F30-S34 PolarHBondContact O-N 3.27Å; L31-S34 PolarHBondContact O-N 3.46Å; L32-S34 VanDerWaalsContact C-N 3.34Å; L32-S34 PolarHBondContact O-N 3.29Å; S34-S38 VanDerWaalsContact O-CB 3.24Å; S34-S38 WeakPolarHBondContact O-CB 3.38Å; S34-S38 PolarHBondContact O-N 3.48Å; S34-S38 PolarHBondContact O-OG 3.49Å; S34-T221 PolarHBondContact OG-OG1 3.42Å
35L95.6Very high94.7Very high92 Ų9269 Ų6948%0.48234%0.34SS..Hα-helixtrans-68.1-55.9178.4-177.867.1000111.7L31 L32 G37 S38 I39L31-L35 WeakPolarHBondContact O-CB 3.46Å; L31-L35 PolarHBondContact O-N 3.29Å; L32-L35 PolarHBondContact O-N 2.9Å; L35-G37 VanDerWaalsContact C-N 3.33Å; L35-G37 PolarHBondContact O-N 3.46Å; L35-S38 PolarHBondContact O-N 3.49Å; L35-I39 HydrophobicContact CD1-CD1 4.46Å; L35-I39 HydrophobicContact CG-CD1 4.23Å; L35-I39 WeakPolarHBondContact O-CG1 3.37Å; L35-I39 PolarHBondContact O-N 2.94Å
36L95.9Very high94.3Very high87 Ų8764.1 Ų64.146%0.45532%0.321SS..Hα-helixtrans-61.6-43.1-179.6-68.6-179.9000111.1L32 S38 I39 L40L32-L36 HydrophobicContact CD1-CD1 3.69Å; L32-L36 HydrophobicContact CD1-CG 3.91Å; L32-L36 HydrophobicContact CD2-CD1 4.45Å; L32-L36 HydrophobicContact CG-CD1 3.79Å; L32-L36 HydrophobicContact CG-CG 4.29Å; L32-L36 VanDerWaalsContact O-CB 3.31Å; L32-L36 WeakPolarHBondContact O-CB 3.26Å; L32-L36 WeakPolarHBondContact O-CG 3.38Å; L32-L36 PolarHBondContact O-N 3.41Å; L36-S38 VanDerWaalsContact C-N 3.3Å; L36-S38 PolarHBondContact O-N 2.8Å; L36-I39 PolarHBondContact O-N 3.43Å; L36-L40 WeakPolarHBondContact O-CB 3.25Å; L36-L40 VanDerWaalsContact O-CG 3.27Å; L36-L40 WeakPolarHBondContact O-CG 3.23Å; L36-L40 PolarHBondContact O-N 2.91Å
37G94.3Very high93.9Very high4 Ų468 Ų684%0.04135%0.348CS..Hα-helixtrans-63.2-36.9177.700000112.7I33 L35 L40 K41 S208I33-G37 WeakPolarHBondContact O-CA 3.35Å; I33-G37 PolarHBondContact O-N 3.29Å; L35-G37 VanDerWaalsContact C-N 3.33Å; L35-G37 PolarHBondContact O-N 3.46Å; G37-L40 PolarHBondContact O-N 2.84Å; G37-K41 WeakPolarHBondContact O-CB 3.27Å; G37-K41 PolarHBondContact O-N 3.33Å; G37-S208 CarbonylContact C-O 3.39Å; G37-S208 VanDerWaalsContact C-O 3.28Å
38S93.5Very high93.5Very high7 Ų774.4 Ų74.45%0.04938%0.377CS..Hα-helixtrans-65.7-43.5174.5-640000112.1S34 L35 L36 K41 E42S34-S38 VanDerWaalsContact O-CB 3.24Å; S34-S38 WeakPolarHBondContact O-CB 3.38Å; S34-S38 PolarHBondContact O-N 3.48Å; S34-S38 PolarHBondContact O-OG 3.49Å; L35-S38 PolarHBondContact O-N 3.49Å; L36-S38 VanDerWaalsContact C-N 3.3Å; L36-S38 PolarHBondContact O-N 2.8Å; S38-K41 PolarHBondContact O-N 2.91Å; S38-E42 PolarHBondContact O-N 3.26Å
39I93.9Very high93.3Very high74 Ų7468.8 Ų68.838%0.37936%0.363SS..Hα-helixtrans-60.9-48174.8-66165.4000110.3L35 L36 K41 E42 L43L35-I39 HydrophobicContact CD1-CD1 4.46Å; L35-I39 HydrophobicContact CG-CD1 4.23Å; L35-I39 WeakPolarHBondContact O-CG1 3.37Å; L35-I39 PolarHBondContact O-N 2.94Å; L36-I39 PolarHBondContact O-N 3.43Å; I39-K41 VanDerWaalsContact C-N 3.25Å; I39-K41 PolarHBondContact O-N 3.33Å; I39-E42 PolarHBondContact O-N 3.01Å; I39-L43 HydrophobicContact CG2-CD1 3.78Å; I39-L43 HydrophobicContact CG2-CG 4.37Å; I39-L43 WeakPolarHBondContact O-CB 3.49Å; I39-L43 VanDerWaalsContact O-CG 3.3Å; I39-L43 WeakPolarHBondContact O-CG 3.49Å; I39-L43 PolarHBondContact O-N 3.38Å
40L93.7Very high92.9Very high69 Ų6972 Ų7236%0.36137%0.372SS..Hα-helixtrans-60.1-36178.4-71.5176.4000112.5L36 G37 D44 L45 V46 V209L36-L40 WeakPolarHBondContact O-CB 3.25Å; L36-L40 VanDerWaalsContact O-CG 3.27Å; L36-L40 WeakPolarHBondContact O-CG 3.23Å; L36-L40 PolarHBondContact O-N 2.91Å; G37-L40 PolarHBondContact O-N 2.84Å; L40-D44 PolarHBondContact O-N 3.08Å; L40-L45 HydrophobicContact CD2-CB 4.24Å; L40-L45 HydrophobicContact CD2-CD1 3.84Å; L40-L45 PolarHBondContact O-N 2.85Å; L40-L45 VanDerWaalsContact O-N 3.09Å; L40-V46 HydrophobicContact CB-CG2 4.04Å; L40-V46 HydrophobicContact CD1-CG2 4.47Å; L40-V209 HydrophobicContact CB-CG1 4.39Å; L40-V209 HydrophobicContact CD1-CG1 4.32Å
41K90.7Very high92.4Very high63 Ų6374.3 Ų74.327%0.27438%0.382SS..Hα-helixtrans-68.8-46.8175.6-175.5-178.4176.6-169.30112G37 S38 I39 L43 D44 V209 F211 H212 K217G37-K41 WeakPolarHBondContact O-CB 3.27Å; G37-K41 PolarHBondContact O-N 3.33Å; S38-K41 PolarHBondContact O-N 2.91Å; I39-K41 VanDerWaalsContact C-N 3.25Å; I39-K41 PolarHBondContact O-N 3.33Å; K41-L43 VanDerWaalsContact C-N 3.27Å; K41-L43 PolarHBondContact O-N 3.2Å; K41-D44 PolarHBondContact O-N 3.28Å; K41-V209 WeakPolarHBondContact CB-O 3.36Å; K41-V209 VanDerWaalsContact CG-O 3.3Å; K41-V209 WeakPolarHBondContact CG-O 3.2Å; K41-F211 PolarHBondContact NZ-O 3.35Å; K41-H212 PolarHBondContact NZ-O 2.66Å; K41-K217 VanDerWaalsContact CD-NZ 3.26Å
42E90.9Very high91.9Very high141 Ų14173 Ų7366%0.65938%0.377SS*.Hα-helixtrans-63.8-35-179.8-76.1-174.7164.800112.4S38 I39 D44 P214S38-E42 PolarHBondContact O-N 3.26Å; I39-E42 PolarHBondContact O-N 3.01Å; E42-D44 PolarHBondContact O-N 3.05Å; E42-P214 HydrophobicContact CG-CG 4.2Å; E42-P214 WeakPolarHBondContact OE1-CG 3.29Å
43L92.4Very high91.4Very high109 Ų10971.3 Ų71.357%0.57137%0.373SS*.THydrogen-bonded Turntrans-80.6-0.3175.9-61.8177.4000113.3I39 K41 L45I39-L43 HydrophobicContact CG2-CD1 3.78Å; I39-L43 HydrophobicContact CG2-CG 4.37Å; I39-L43 WeakPolarHBondContact O-CB 3.49Å; I39-L43 VanDerWaalsContact O-CG 3.3Å; I39-L43 WeakPolarHBondContact O-CG 3.49Å; I39-L43 PolarHBondContact O-N 3.38Å; K41-L43 VanDerWaalsContact C-N 3.27Å; K41-L43 PolarHBondContact O-N 3.2Å; L43-L45 HydrophobicContact CB-CD1 3.74Å; L43-L45 HydrophobicContact CB-CD2 4.46Å; L43-L45 HydrophobicContact CB-CG 3.6Å; L43-L45 HydrophobicContact CD1-CD1 3.75Å; L43-L45 HydrophobicContact CG-CD1 4.42Å; L43-L45 PolarHBondContact O-N 3.42Å; L43-L45 VanDerWaalsContact O-N 3.1Å
44D87Confident90.8Very high126 Ų12672.8 Ų72.867%0.67439%0.386SS*.THydrogen-bonded Turntrans48.635.2-176.3-157.329.3000113.4L40 K41 E42 V46L40-D44 PolarHBondContact O-N 3.08Å; K41-D44 PolarHBondContact O-N 3.28Å; E42-D44 PolarHBondContact O-N 3.05Å; D44-V46 VanDerWaalsContact C-N 3.3Å; D44-V46 PolarHBondContact O-N 3.27Å
45L90.2Very high90.3Very high109 Ų10980.7 Ų80.757%0.57142%0.42SS*.  trans-79.4-14.9-174.3-69.2174.8000113.1L40 L43L40-L45 HydrophobicContact CD2-CB 4.24Å; L40-L45 HydrophobicContact CD2-CD1 3.84Å; L40-L45 PolarHBondContact O-N 2.85Å; L40-L45 VanDerWaalsContact O-N 3.09Å; L43-L45 HydrophobicContact CB-CD1 3.74Å; L43-L45 HydrophobicContact CB-CD2 4.46Å; L43-L45 HydrophobicContact CB-CG 3.6Å; L43-L45 HydrophobicContact CD1-CD1 3.75Å; L43-L45 HydrophobicContact CG-CD1 4.42Å; L43-L45 PolarHBondContact O-N 3.42Å; L43-L45 VanDerWaalsContact O-N 3.1Å
46V88.9Confident90.1Very high32 Ų3276.6 Ų76.619%0.19440%0.399CS..SBendtrans-104112.1-175.3-174.30000109.3L40 D44 V209 Y210L40-V46 HydrophobicContact CB-CG2 4.04Å; L40-V46 HydrophobicContact CD1-CG2 4.47Å; D44-V46 VanDerWaalsContact C-N 3.3Å; D44-V46 PolarHBondContact O-N 3.27Å; V46-V209 HydrophobicContact CG1-CG2 4.38Å; V46-V209 HydrophobicContact CG2-CB 4.2Å; V46-V209 HydrophobicContact CG2-CG1 4.26Å; V46-Y210 HydrophobicContact CB-CE1 4.4Å; V46-Y210 HydrophobicContact CG1-CE1 3.64Å; V46-Y210 VanDerWaalsContact CG1-OH 3.28Å; V46-Y210 WeakPolarHBondContact CG1-OH 3.41Å
47P89.2Confident89.8Confident102 Ų10277.8 Ų77.866%0.66240%0.401SS*.  trans-65.1155.1-179.527.3-34.6000111.6S49 Y210P47-S49 PolarHBondContact O-N 2.86Å; P47-Y210 WeakPolarHBondContact O-CE1 3.41Å; P47-Y210 PolarHBondContact O-OH 2.84Å; P47-Y210 VanDerWaalsContact O-OH 3.1Å
48Q89.3Confident89.4Confident142 Ų14279 Ų7966%0.66441%0.407SS*.  trans-57.8135.3174.3-62.8-61-3200110.2S52Q48-S52 PolarHBondContact OE1-OG 2.8Å
49S90.7Very high89.1Confident47 Ų4779 Ų7933%0.32941%0.407SS..  trans-145178.4-175.178.50000110.7P47 F51 S52 Y210P47-S49 PolarHBondContact O-N 2.86Å; S49-F51 PolarHBondContact O-N 3.37Å; S49-F51 VanDerWaalsContact O-N 3.09Å; S49-F51 PolarHBondContact OG-N 2.69Å; S49-S52 PolarHBondContact N-OG 3.25Å; S49-S52 PolarHBondContact O-N 2.73Å; S49-S52 PolarHBondContact O-OG 3.44Å; S49-Y210 WeakPolarHBondContact CB-OH 3.45Å; S49-Y210 PolarHBondContact OG-OH 3.39Å
50Y88.9Confident88.8Confident132 Ų13278.5 Ų78.552%0.51840%0.404SS..G310 helixtrans-49.5-37173.2179.1-100.9000113.1N56 F57Y50-N56 HydrophobicContact CD1-CB 4.09Å; Y50-N56 HydrophobicContact CE1-CB 3.61Å; Y50-N56 HydrophobicContact CE2-CB 4.19Å; Y50-N56 WeakPolarHBondContact O-CB 3.42Å; Y50-F57 WeakPolarHBondContact OH-CB 3.25Å; Y50-F57 PolarHBondContact OH-N 3.2Å
51F88.9Confident88.4Confident48 Ų4882 Ų8221%0.21141%0.414CS..G310 helixtrans-80.3-12.5-177.3-68.3-75.2000114.3S49 S53 V58 W202 M203 C206 Y210 F211S49-F51 PolarHBondContact O-N 3.37Å; S49-F51 VanDerWaalsContact O-N 3.09Å; S49-F51 PolarHBondContact OG-N 2.69Å; F51-S53 VanDerWaalsContact C-N 3.29Å; F51-V58 HydrophobicContact CE1-CB 4.43Å; F51-V58 HydrophobicContact CE1-CG2 4.16Å; F51-W202 HydrophobicContact CD2-CZ2 4.26Å; F51-W202 AromaticContact CE1-NE1 3.46Å; F51-W202 AromaticContact CE2-CZ2 3.87Å; F51-W202 HydrophobicContact CE2-CZ2 3.87Å; F51-W202 AromaticContact CE2-NE1 3.79Å; F51-W202 HydrophobicContact CZ-CZ2 4.28Å; F51-W202 AromaticContact CZ-NE1 3.33Å; F51-W202 VanDerWaalsContact CZ-NE1 3.33Å; F51-M203 HydrophobicContact CD1-SD 4.04Å; F51-M203 HydrophobicContact CE1-SD 4.02Å; F51-C206 HydrophobicContact CB-CB 4.23Å; F51-Y210 HydrophobicContact CB-CD2 4.16Å; F51-Y210 HydrophobicContact CB-CE2 3.86Å; F51-F211 WeakPolarHBondContact O-CE2 3.22Å; F51-F211 WeakPolarHBondContact O-CZ 3.45Å
52S85.9Confident88.3Confident27 Ų2781.8 Ų81.819%0.18941%0.413CS..G310 helixtrans-76.2-20.6174.674.20000112.6Q48 S49 S54 F211Q48-S52 PolarHBondContact OE1-OG 2.8Å; S49-S52 PolarHBondContact N-OG 3.25Å; S49-S52 PolarHBondContact O-N 2.73Å; S49-S52 PolarHBondContact O-OG 3.44Å; S52-S54 PolarHBondContact O-N 3.06Å; S52-F211 WeakPolarHBondContact O-CE1 3.29Å; S52-F211 WeakPolarHBondContact O-CZ 3.42Å
53S86.7Confident87.9Confident56 Ų5675.1 Ų75.139%0.39238%0.382SS..  trans-77.5121.6173.1177.90000111.1F51 K55 N56F51-S53 VanDerWaalsContact C-N 3.29Å; S53-K55 PolarHBondContact O-N 3.41Å; S53-K55 VanDerWaalsContact O-N 3.09Å; S53-K55 PolarHBondContact OG-N 3Å; S53-N56 WeakPolarHBondContact O-CB 3.4Å; S53-N56 PolarHBondContact O-N 2.86Å; S53-N56 VanDerWaalsContact O-N 3.17Å; S53-N56 PolarHBondContact O-ND2 3.38Å
54S84Confident87.7Confident62 Ų6276 Ų7643%0.43438%0.381SS..THydrogen-bonded Turntrans-65.7-9.7173.3630000113.8S52 N59S52-S54 PolarHBondContact O-N 3.06Å; S54-N59 PolarHBondContact O-ND2 3.21Å
55K86.3Confident87.9Confident166 Ų16673.5 Ų73.572%0.72237%0.37SS*.THydrogen-bonded Turntrans-97.78.7178.3-60-178.5-177.9177.20113S53 L60S53-K55 PolarHBondContact O-N 3.41Å; S53-K55 VanDerWaalsContact O-N 3.09Å; S53-K55 PolarHBondContact OG-N 3Å; K55-L60 VanDerWaalsContact O-CD1 3.3Å; K55-L60 WeakPolarHBondContact O-CD1 3.35Å
56N90.2Very high88.1Confident5 Ų568.5 Ų68.53%0.02734%0.344CS..SBendtrans-66.5154176.981.567.6000111.6Y50 S53 V58 N59 L60Y50-N56 HydrophobicContact CD1-CB 4.09Å; Y50-N56 HydrophobicContact CE1-CB 3.61Å; Y50-N56 HydrophobicContact CE2-CB 4.19Å; Y50-N56 WeakPolarHBondContact O-CB 3.42Å; S53-N56 WeakPolarHBondContact O-CB 3.4Å; S53-N56 PolarHBondContact O-N 2.86Å; S53-N56 VanDerWaalsContact O-N 3.17Å; S53-N56 PolarHBondContact O-ND2 3.38Å; N56-V58 VanDerWaalsContact C-N 3.34Å; N56-V58 PolarHBondContact O-N 3.4Å; N56-V58 PolarHBondContact OD1-N 2.81Å; N56-V58 VanDerWaalsContact OD1-N 3.13Å; N56-N59 PolarHBondContact O-N 2.83Å; N56-N59 PolarHBondContact OD1-N 3.04Å; N56-L60 WeakPolarHBondContact O-CG 3.45Å; N56-L60 PolarHBondContact O-N 3.45Å
57F90.2Very high88.4Confident113 Ų11367.7 Ų67.750%0.49634%0.338SS..Hα-helixtrans-56.9-45.9-174.2172.6-96.4000112.1Y50 N59 L60 Y61 F62Y50-F57 WeakPolarHBondContact OH-CB 3.25Å; Y50-F57 PolarHBondContact OH-N 3.2Å; F57-N59 VanDerWaalsContact C-N 3.33Å; F57-N59 PolarHBondContact O-N 2.56Å; F57-L60 PolarHBondContact O-N 3.11Å; F57-Y61 AromaticContact CD2-CD2 3.38Å; F57-Y61 HydrophobicContact CD2-CD2 3.38Å; F57-Y61 AromaticContact CD2-CE2 3.7Å; F57-Y61 HydrophobicContact CD2-CE2 3.7Å; F57-Y61 HydrophobicContact CD2-CG 4.34Å; F57-Y61 AromaticContact CE2-CD2 3.47Å; F57-Y61 HydrophobicContact CE2-CD2 3.47Å; F57-Y61 VanDerWaalsContact CE2-CD2 3.47Å; F57-Y61 AromaticContact CE2-CE2 3.85Å; F57-Y61 HydrophobicContact CE2-CE2 3.85Å; F57-Y61 HydrophobicContact CE2-CG 4.07Å; F57-Y61 HydrophobicContact CG-CD2 4.13Å; F57-Y61 HydrophobicContact CZ-CD2 4.3Å; F57-Y61 WeakPolarHBondContact O-CD2 3.46Å; F57-Y61 PolarHBondContact O-N 3.41Å; F57-F62 AromaticContact CE1-CE2 3.97Å; F57-F62 HydrophobicContact CE1-CE2 3.97Å; F57-F62 HydrophobicContact CZ-CE2 4.5Å
58V85.8Confident88.7Confident29 Ų2964.8 Ų64.818%0.17633%0.326CS..Hα-helixtrans-65-40.7-177.5-170.60000110.4F51 N56 F62 V63 T199 M203F51-V58 HydrophobicContact CE1-CB 4.43Å; F51-V58 HydrophobicContact CE1-CG2 4.16Å; N56-V58 VanDerWaalsContact C-N 3.34Å; N56-V58 PolarHBondContact O-N 3.4Å; N56-V58 PolarHBondContact OD1-N 2.81Å; N56-V58 VanDerWaalsContact OD1-N 3.13Å; V58-F62 HydrophobicContact CG1-CB 4.25Å; V58-F62 HydrophobicContact CG1-CD2 4.46Å; V58-F62 WeakPolarHBondContact O-CA 3.42Å; V58-F62 VanDerWaalsContact O-CB 3.23Å; V58-F62 WeakPolarHBondContact O-CB 3.24Å; V58-F62 PolarHBondContact O-N 3.07Å; V58-V63 PolarHBondContact O-N 2.96Å; V58-V63 VanDerWaalsContact O-N 3.15Å; V58-T199 HydrophobicContact CG1-CG2 4.38Å; V58-M203 HydrophobicContact CB-CE 4.32Å; V58-M203 HydrophobicContact CB-SD 3.96Å; V58-M203 HydrophobicContact CG1-CE 4.13Å; V58-M203 HydrophobicContact CG1-CG 3.7Å; V58-M203 HydrophobicContact CG1-SD 3.41Å; V58-M203 WeakPolarHBondContact CG1-SD 3.42Å
59N87.9Confident89Confident7 Ų762.2 Ų62.24%0.03731%0.311CS..Iπ-helixtrans-66.7-44.1177.6-167.959.4000112.4S54 N56 F57 V63 K64 M203S54-N59 PolarHBondContact O-ND2 3.21Å; N56-N59 PolarHBondContact O-N 2.83Å; N56-N59 PolarHBondContact OD1-N 3.04Å; F57-N59 VanDerWaalsContact C-N 3.33Å; F57-N59 PolarHBondContact O-N 2.56Å; N59-V63 PolarHBondContact O-N 3.49Å; N59-K64 WeakPolarHBondContact O-CG 3.23Å; N59-K64 PolarHBondContact O-N 3.29Å; N59-M203 HydrophobicContact CB-CE 4.17Å
60L86.3Confident89.3Confident63 Ų6360 Ų6033%0.3330%0.295SS..Iπ-helixtrans-69.2-43.9-177.6-68.6179.2000113.1K55 N56 F57 K64K55-L60 VanDerWaalsContact O-CD1 3.3Å; K55-L60 WeakPolarHBondContact O-CD1 3.35Å; N56-L60 WeakPolarHBondContact O-CG 3.45Å; N56-L60 PolarHBondContact O-N 3.45Å; F57-L60 PolarHBondContact O-N 3.11Å; L60-K64 HydrophobicContact CD2-CD 4.04Å; L60-K64 VanDerWaalsContact CD2-NZ 3.3Å
61Y86.6Confident89.7Confident143 Ų14356 Ų5656%0.56128%0.283SS*.Iπ-helixtrans-98.9-22.7-172.1-71.4-80.2000114.6F57 V65 W69F57-Y61 AromaticContact CD2-CD2 3.38Å; F57-Y61 HydrophobicContact CD2-CD2 3.38Å; F57-Y61 AromaticContact CD2-CE2 3.7Å; F57-Y61 HydrophobicContact CD2-CE2 3.7Å; F57-Y61 HydrophobicContact CD2-CG 4.34Å; F57-Y61 AromaticContact CE2-CD2 3.47Å; F57-Y61 HydrophobicContact CE2-CD2 3.47Å; F57-Y61 VanDerWaalsContact CE2-CD2 3.47Å; F57-Y61 AromaticContact CE2-CE2 3.85Å; F57-Y61 HydrophobicContact CE2-CE2 3.85Å; F57-Y61 HydrophobicContact CE2-CG 4.07Å; F57-Y61 HydrophobicContact CG-CD2 4.13Å; F57-Y61 HydrophobicContact CZ-CD2 4.3Å; F57-Y61 WeakPolarHBondContact O-CD2 3.46Å; F57-Y61 PolarHBondContact O-N 3.41Å; Y61-V65 WeakPolarHBondContact O-CG2 3.5Å; Y61-W69 PolarHBondContact O-NE1 2.86Å
62F87.3Confident90.1Very high58 Ų5858.7 Ų58.725%0.25430%0.299SS..Iπ-helixtrans-105.2-59.4177.5-71.8-101.8000110.9F57 V58 V65 S66 T199 W200F57-F62 AromaticContact CE1-CE2 3.97Å; F57-F62 HydrophobicContact CE1-CE2 3.97Å; F57-F62 HydrophobicContact CZ-CE2 4.5Å; V58-F62 HydrophobicContact CG1-CB 4.25Å; V58-F62 HydrophobicContact CG1-CD2 4.46Å; V58-F62 WeakPolarHBondContact O-CA 3.42Å; V58-F62 VanDerWaalsContact O-CB 3.23Å; V58-F62 WeakPolarHBondContact O-CB 3.24Å; V58-F62 PolarHBondContact O-N 3.07Å; F62-V65 CarbonylContact O-C 3.59Å; F62-V65 PolarHBondContact O-N 2.96Å; F62-S66 WeakPolarHBondContact O-CA 3.43Å; F62-S66 WeakPolarHBondContact O-CB 3.48Å; F62-S66 PolarHBondContact O-N 3.03Å; F62-T199 HydrophobicContact CD1-CG2 4.37Å; F62-W200 HydrophobicContact CB-CH2 4.25Å; F62-W200 HydrophobicContact CB-CZ3 3.97Å; F62-W200 WeakPolarHBondContact O-CH2 3.15Å
63V83.6Confident90.6Very high1 Ų158.9 Ų58.91%0.00630%0.297CS..Iπ-helixtrans-67.2-48-169.6-178.80000112.4V58 N59 V65 S66 H155 L159 M203V58-V63 PolarHBondContact O-N 2.96Å; V58-V63 VanDerWaalsContact O-N 3.15Å; N59-V63 PolarHBondContact O-N 3.49Å; V63-V65 VanDerWaalsContact C-N 3.25Å; V63-V65 PolarHBondContact O-N 3.2Å; V63-S66 WeakPolarHBondContact O-CB 3.38Å; V63-S66 PolarHBondContact O-N 3.15Å; V63-S66 VanDerWaalsContact O-N 3.13Å; V63-S66 PolarHBondContact O-OG 2.9Å; V63-H155 HydrophobicContact CG1-CB 4.17Å; V63-H155 WeakPolarHBondContact CG1-CD2 3.48Å; V63-L159 HydrophobicContact CG1-CD1 4.21Å; V63-L159 HydrophobicContact CG1-CD2 4.36Å; V63-L159 HydrophobicContact CG1-CG 4.49Å; V63-M203 HydrophobicContact CG2-CB 3.67Å; V63-M203 HydrophobicContact CG2-CE 3.51Å; V63-M203 HydrophobicContact CG2-CG 3.64Å; V63-M203 HydrophobicContact CG2-SD 4.37Å
64K87.2Confident91.1Very high127 Ų12756.3 Ų56.355%0.55228%0.279SS*.THydrogen-bonded Turntrans-60.9-32.9-179.2-77-173.4178.3-178.50113.8N59 L60N59-K64 WeakPolarHBondContact O-CG 3.23Å; N59-K64 PolarHBondContact O-N 3.29Å; L60-K64 HydrophobicContact CD2-CD 4.04Å; L60-K64 VanDerWaalsContact CD2-NZ 3.3Å
65V91.2Very high91.7Very high75 Ų7555.4 Ų55.446%0.45527%0.271SS..THydrogen-bonded Turntrans-11026.3178.8-67.50000111.7Y61 F62 V63 W67 G68 W69Y61-V65 WeakPolarHBondContact O-CG2 3.5Å; F62-V65 CarbonylContact O-C 3.59Å; F62-V65 PolarHBondContact O-N 2.96Å; V63-V65 VanDerWaalsContact C-N 3.25Å; V63-V65 PolarHBondContact O-N 3.2Å; V65-W67 VanDerWaalsContact C-N 3.3Å; V65-W67 PolarHBondContact O-N 3.16Å; V65-G68 WeakPolarHBondContact O-CA 3.27Å; V65-G68 PolarHBondContact O-N 3.38Å; V65-W69 PolarHBondContact O-N 2.65Å
66S94Very high92.1Very high4 Ų449 Ų493%0.02825%0.246CC..Hα-helixtrans-59.4-38.7-172.349.40000113.8F62 V63 G68 W69 T70 I158 W200F62-S66 WeakPolarHBondContact O-CA 3.43Å; F62-S66 WeakPolarHBondContact O-CB 3.48Å; F62-S66 PolarHBondContact O-N 3.03Å; V63-S66 WeakPolarHBondContact O-CB 3.38Å; V63-S66 PolarHBondContact O-N 3.15Å; V63-S66 VanDerWaalsContact O-N 3.13Å; V63-S66 PolarHBondContact O-OG 2.9Å; S66-G68 VanDerWaalsContact C-N 3.33Å; S66-G68 PolarHBondContact O-N 2.93Å; S66-W69 PolarHBondContact O-N 3.23Å; S66-T70 WeakPolarHBondContact O-CB 3.15Å; S66-T70 PolarHBondContact O-N 3.31Å; S66-T70 PolarHBondContact O-OG1 2.87Å; S66-I158 WeakPolarHBondContact OG-CG1 3.45Å; S66-I158 WeakPolarHBondContact OG-CG2 3.43Å; S66-W200 WeakPolarHBondContact O-CZ2 3.34Å
67W96.1Very high92.3Very high14 Ų1448.8 Ų48.85%0.05325%0.245CC..Hα-helixtrans-63.1-41.2175-168.3-116.9000112V65 W69 T70 L71 A101 T102 W105 I158 Y161 L165V65-W67 VanDerWaalsContact C-N 3.3Å; V65-W67 PolarHBondContact O-N 3.16Å; W67-W69 PolarHBondContact O-N 3.31Å; W67-T70 HydrophobicContact CE3-CG2 4.41Å; W67-T70 HydrophobicContact CZ3-CG2 4.25Å; W67-T70 WeakPolarHBondContact O-CB 3.37Å; W67-T70 PolarHBondContact O-N 3.25Å; W67-L71 HydrophobicContact CZ2-CD2 4.05Å; W67-L71 WeakPolarHBondContact O-CG 3.36Å; W67-L71 PolarHBondContact O-N 3.36Å; W67-A101 HydrophobicContact CH2-CB 3.99Å; W67-A101 HydrophobicContact CZ2-CB 4.49Å; W67-T102 WeakPolarHBondContact CZ2-OG1 3.34Å; W67-W105 HydrophobicContact CB-CD2 4.5Å; W67-W105 HydrophobicContact CB-CZ2 4.41Å; W67-W105 AromaticContact CD1-CD2 3.78Å; W67-W105 AromaticContact CD1-CE3 3.69Å; W67-W105 AromaticContact CD1-CZ3 3.93Å; W67-W105 HydrophobicContact CD2-CB 4.39Å; W67-W105 HydrophobicContact CD2-CD2 4.23Å; W67-W105 HydrophobicContact CD2-CG 4.08Å; W67-W105 HydrophobicContact CE3-CG 4.49Å; W67-W105 AromaticContact CG-CD2 3.92Å; W67-W105 HydrophobicContact CG-CD2 3.92Å; W67-W105 HydrophobicContact CG-CE3 4.29Å; W67-W105 HydrophobicContact CG-CG 4.21Å; W67-W105 HydrophobicContact CG-CZ2 4.49Å; W67-W105 HydrophobicContact CZ2-CB 4.41Å; W67-W105 AromaticContact NE1-CE3 3.75Å; W67-I158 HydrophobicContact CB-CD1 4.27Å; W67-I158 HydrophobicContact CB-CG1 4.5Å; W67-I158 HydrophobicContact CD2-CD1 4.2Å; W67-I158 HydrophobicContact CE3-CD1 3.5Å; W67-I158 VanDerWaalsContact CE3-CD1 3.5Å; W67-I158 HydrophobicContact CZ3-CD1 4.2Å; W67-Y161 HydrophobicContact CH2-CE1 4.27Å; W67-Y161 HydrophobicContact CZ3-CD1 4.22Å; W67-Y161 HydrophobicContact CZ3-CE1 4.29Å; W67-L165 HydrophobicContact CH2-CD1 3.68Å; W67-L165 HydrophobicContact CZ3-CD1 3.75Å
68G96.1Very high92.4Very high41 Ų4143.5 Ų43.542%0.42322%0.222SC..Hα-helixtrans-60-45.1176.900000112.4V65 S66 T70 L71 L72V65-G68 WeakPolarHBondContact O-CA 3.27Å; V65-G68 PolarHBondContact O-N 3.38Å; S66-G68 VanDerWaalsContact C-N 3.33Å; S66-G68 PolarHBondContact O-N 2.93Å; G68-T70 VanDerWaalsContact C-N 3.35Å; G68-T70 PolarHBondContact O-N 2.99Å; G68-L71 PolarHBondContact O-N 3.42Å; G68-L72 VanDerWaalsContact O-CB 3.3Å; G68-L72 WeakPolarHBondContact O-CB 3.25Å; G68-L72 PolarHBondContact O-N 2.72Å
69W96.1Very high92.7Very high89 Ų8946 Ų4634%0.33723%0.234SC..Hα-helixtrans-65.3-38175.1-68.9111.6000113.2Y61 V65 S66 W67 L72 L73 I196 W200Y61-W69 PolarHBondContact O-NE1 2.86Å; V65-W69 PolarHBondContact O-N 2.65Å; S66-W69 PolarHBondContact O-N 3.23Å; W67-W69 PolarHBondContact O-N 3.31Å; W69-L72 HydrophobicContact CE3-CD2 3.71Å; W69-L72 HydrophobicContact CZ3-CD2 3.67Å; W69-L72 PolarHBondContact O-N 2.82Å; W69-L73 PolarHBondContact O-N 3Å; W69-L73 VanDerWaalsContact O-N 3.08Å; W69-I196 HydrophobicContact CB-CD1 3.42Å; W69-I196 VanDerWaalsContact CB-CD1 3.42Å; W69-I196 HydrophobicContact CG-CD1 4.26Å; W69-W200 HydrophobicContact CB-CH2 4.5Å; W69-W200 HydrophobicContact CB-CZ2 4.22Å
70T96.1Very high92.8Very high0 Ų048.7 Ų48.70%025%0.246CC..Hα-helixtrans-61.6-47.5176-600000110.3S66 W67 G68 L74 S162 I166S66-T70 WeakPolarHBondContact O-CB 3.15Å; S66-T70 PolarHBondContact O-N 3.31Å; S66-T70 PolarHBondContact O-OG1 2.87Å; W67-T70 HydrophobicContact CE3-CG2 4.41Å; W67-T70 HydrophobicContact CZ3-CG2 4.25Å; W67-T70 WeakPolarHBondContact O-CB 3.37Å; W67-T70 PolarHBondContact O-N 3.25Å; G68-T70 VanDerWaalsContact C-N 3.35Å; G68-T70 PolarHBondContact O-N 2.99Å; T70-L74 WeakPolarHBondContact O-CB 3.42Å; T70-L74 PolarHBondContact O-N 3.49Å; T70-S162 WeakPolarHBondContact OG1-CB 3.31Å; T70-S162 PolarHBondContact OG1-OG 3.39Å; T70-I166 HydrophobicContact CG2-CD1 4.17Å; T70-I166 HydrophobicContact CG2-CG1 4.25Å
71L96.9Very high92.8Very high49 Ų4946.4 Ų46.426%0.25724%0.235SC..Hα-helixtrans-62.8-43.8174.8-68.1179.7000112.3W67 G68 L73 T75 L98W67-L71 HydrophobicContact CZ2-CD2 4.05Å; W67-L71 WeakPolarHBondContact O-CG 3.36Å; W67-L71 PolarHBondContact O-N 3.36Å; G68-L71 PolarHBondContact O-N 3.42Å; L71-L73 VanDerWaalsContact C-N 3.3Å; L71-L73 PolarHBondContact O-N 3.35Å; L71-T75 WeakPolarHBondContact O-CB 3.27Å; L71-T75 PolarHBondContact O-N 2.8Å; L71-T75 PolarHBondContact O-OG1 3.21Å; L71-L98 HydrophobicContact CD2-CD1 3.81Å; L71-L98 HydrophobicContact CD2-CD2 4.09Å; L71-L98 HydrophobicContact CD2-CG 3.96Å
72L97.2Very high92.4Very high104 Ų10440.2 Ų40.255%0.54521%0.213SC..Hα-helixtrans-59.5-39.5-177.9-179.865.3000112.4G68 W69 P76G68-L72 VanDerWaalsContact O-CB 3.3Å; G68-L72 WeakPolarHBondContact O-CB 3.25Å; G68-L72 PolarHBondContact O-N 2.72Å; W69-L72 HydrophobicContact CE3-CD2 3.71Å; W69-L72 HydrophobicContact CZ3-CD2 3.67Å; W69-L72 PolarHBondContact O-N 2.82Å; L72-P76 WeakPolarHBondContact O-CD 3.23Å; L72-P76 WeakPolarHBondContact O-CG 3.28Å
73L97.5Very high91.2Very high31 Ų3140 Ų4016%0.16222%0.218CC..Hα-helixtrans-89-39.8-179.3-64.8177.1000112.5W69 L71 P76 F77 A192 L193 I196W69-L73 PolarHBondContact O-N 3Å; W69-L73 VanDerWaalsContact O-N 3.08Å; L71-L73 VanDerWaalsContact C-N 3.3Å; L71-L73 PolarHBondContact O-N 3.35Å; L73-P76 WeakPolarHBondContact O-CD 3.46Å; L73-P76 WeakPolarHBondContact O-CG 3.46Å; L73-F77 WeakPolarHBondContact O-CB 3.33Å; L73-F77 PolarHBondContact O-N 3.5Å; L73-A192 HydrophobicContact CD1-CB 4.32Å; L73-A192 HydrophobicContact CD2-CB 4.08Å; L73-L193 HydrophobicContact CB-CD2 3.53Å; L73-L193 HydrophobicContact CB-CG 4.05Å; L73-L193 HydrophobicContact CD1-CD2 4.49Å; L73-I196 HydrophobicContact CD1-CB 4.1Å; L73-I196 HydrophobicContact CD1-CD1 3.89Å; L73-I196 HydrophobicContact CD1-CG2 3.99Å
74L96.3Very high89.7Confident2 Ų244.3 Ų44.31%0.0125%0.254CS..Hα-helixtrans-76.1-38-173.2-169.259.3000112.2T70 F77 L78 L98 E169 L193T70-L74 WeakPolarHBondContact O-CB 3.42Å; T70-L74 PolarHBondContact O-N 3.49Å; L74-F77 HydrophobicContact CD1-CD1 4.15Å; L74-F77 WeakPolarHBondContact O-CB 3.28Å; L74-F77 PolarHBondContact O-N 3.44Å; L74-L78 HydrophobicContact CG-CD1 4.36Å; L74-L78 HydrophobicContact CG-CG 4.4Å; L74-L78 VanDerWaalsContact O-CG 3.32Å; L74-L78 WeakPolarHBondContact O-CG 3.31Å; L74-L78 PolarHBondContact O-N 2.86Å; L74-L98 HydrophobicContact CD2-CD1 3.97Å; L74-E169 HydrophobicContact CD1-CB 3.84Å; L74-E169 HydrophobicContact CD2-CG 4.37Å; L74-L193 HydrophobicContact CB-CD2 4.35Å; L74-L193 HydrophobicContact CD1-CD1 4.28Å; L74-L193 HydrophobicContact CD1-CD2 4.4Å
75T96.3Very high88Confident42 Ų4246.5 Ų46.526%0.25827%0.272SS..Hα-helixtrans-58.7-54.8179.1-51.50000112.8L71 F77 L78 L79 L98L71-T75 WeakPolarHBondContact O-CB 3.27Å; L71-T75 PolarHBondContact O-N 2.8Å; L71-T75 PolarHBondContact O-OG1 3.21Å; T75-F77 VanDerWaalsContact C-N 3.28Å; T75-F77 PolarHBondContact O-N 3.29Å; T75-L78 PolarHBondContact O-N 3.47Å; T75-L79 HydrophobicContact CG2-CD1 4.37Å; T75-L79 WeakPolarHBondContact O-CG 3.24Å; T75-L79 PolarHBondContact O-N 3Å; T75-L98 HydrophobicContact CG2-CD2 4.48Å; T75-L98 WeakPolarHBondContact OG1-CD2 3.31Å
76P95.1Very high86.8Confident32 Ų3246.8 Ų46.821%0.20827%0.268CS..Hα-helixtrans-63-36.217724.7-33.5000111.8L72 L73 L78 L79 F80 L189L72-P76 WeakPolarHBondContact O-CD 3.23Å; L72-P76 WeakPolarHBondContact O-CG 3.28Å; L73-P76 WeakPolarHBondContact O-CD 3.46Å; L73-P76 WeakPolarHBondContact O-CG 3.46Å; P76-L78 VanDerWaalsContact C-N 3.33Å; P76-L78 PolarHBondContact O-N 3.41Å; P76-L79 PolarHBondContact O-N 3.35Å; P76-F80 HydrophobicContact CB-CD2 4.25Å; P76-F80 HydrophobicContact CB-CE2 4.13Å; P76-F80 WeakPolarHBondContact O-CD2 3.45Å; P76-F80 PolarHBondContact O-N 3.08Å; P76-L189 HydrophobicContact CB-CD1 4.14Å; P76-L189 HydrophobicContact CB-CD2 4.43Å; P76-L189 HydrophobicContact CG-CD1 4.49Å; P76-L189 HydrophobicContact CG-CD2 3.97Å
77F94.6Very high85.9Confident0 Ų050.2 Ų50.20%029%0.292CS..Hα-helixtrans-56.8-47.1174.2174-92000111.6L73 L74 T75 L79 F80 S81 T170 M173 L186 L189 Y190 L193L73-F77 WeakPolarHBondContact O-CB 3.33Å; L73-F77 PolarHBondContact O-N 3.5Å; L74-F77 HydrophobicContact CD1-CD1 4.15Å; L74-F77 WeakPolarHBondContact O-CB 3.28Å; L74-F77 PolarHBondContact O-N 3.44Å; T75-F77 VanDerWaalsContact C-N 3.28Å; T75-F77 PolarHBondContact O-N 3.29Å; F77-L79 PolarHBondContact O-N 3.13Å; F77-F80 PolarHBondContact O-N 3.4Å; F77-S81 WeakPolarHBondContact O-CB 3.43Å; F77-S81 PolarHBondContact O-N 3.13Å; F77-S81 PolarHBondContact O-OG 3.41Å; F77-T170 HydrophobicContact CD1-CG2 4.46Å; F77-T170 HydrophobicContact CE1-CG2 4.1Å; F77-T170 HydrophobicContact CZ-CG2 4.15Å; F77-M173 HydrophobicContact CE2-CG 3.74Å; F77-M173 HydrophobicContact CE2-SD 3.66Å; F77-M173 HydrophobicContact CZ-CG 3.86Å; F77-M173 HydrophobicContact CZ-SD 3.99Å; F77-L186 HydrophobicContact CD2-CD2 4.03Å; F77-L186 HydrophobicContact CE2-CD2 4.12Å; F77-L189 HydrophobicContact CB-CB 4.38Å; F77-L189 HydrophobicContact CB-CD1 4.43Å; F77-L189 HydrophobicContact CD2-CB 4.3Å; F77-Y190 HydrophobicContact CE2-CD2 4.42Å; F77-L193 HydrophobicContact CB-CD1 3.72Å; F77-L193 HydrophobicContact CD1-CD1 4.2Å; F77-L193 HydrophobicContact CD2-CD1 3.89Å; F77-L193 HydrophobicContact CG-CD1 3.65Å
78L92.8Very high85.3Confident2 Ų256.8 Ų56.81%0.0133%0.327CS..Hα-helixtrans-61.3-43.8176.7-67.6177.9000111.9L74 T75 P76 S81 S82 R94 L98 E169L74-L78 HydrophobicContact CG-CD1 4.36Å; L74-L78 HydrophobicContact CG-CG 4.4Å; L74-L78 VanDerWaalsContact O-CG 3.32Å; L74-L78 WeakPolarHBondContact O-CG 3.31Å; L74-L78 PolarHBondContact O-N 2.86Å; T75-L78 PolarHBondContact O-N 3.47Å; P76-L78 VanDerWaalsContact C-N 3.33Å; P76-L78 PolarHBondContact O-N 3.41Å; L78-S81 WeakPolarHBondContact CA-OG 3.48Å; L78-S81 PolarHBondContact O-N 3.14Å; L78-S81 PolarHBondContact O-OG 3.37Å; L78-S82 WeakPolarHBondContact O-CB 3.31Å; L78-S82 PolarHBondContact O-N 3.2Å; L78-R94 HydrophobicContact CD1-CB 4.33Å; L78-R94 HydrophobicContact CD2-CB 4.18Å; L78-R94 HydrophobicContact CD2-CG 4.43Å; L78-L98 HydrophobicContact CD1-CB 4.34Å; L78-L98 HydrophobicContact CD1-CD2 4.29Å; L78-E169 HydrophobicContact CD2-CB 4.13Å; L78-E169 HydrophobicContact CD2-CG 4.32Å; L78-E169 WeakPolarHBondContact CD2-OE2 3.15Å
79L91.6Very high84.8Confident82 Ų8260.9 Ų60.943%0.42933%0.334SS..Hα-helixtrans-60.5-47.6177.6-66.7171.7000112.1T75 P76 F77 S82 L91 L95T75-L79 HydrophobicContact CG2-CD1 4.37Å; T75-L79 WeakPolarHBondContact O-CG 3.24Å; T75-L79 PolarHBondContact O-N 3Å; P76-L79 PolarHBondContact O-N 3.35Å; F77-L79 PolarHBondContact O-N 3.13Å; L79-S82 PolarHBondContact O-N 3.22Å; L79-L91 HydrophobicContact CD2-CD1 4.04Å; L79-L91 HydrophobicContact CD2-CD2 4.12Å; L79-L95 HydrophobicContact CD2-CD2 4.49Å
80F89.6Confident84.2Confident64 Ų6457.6 Ų57.628%0.28133%0.326SS..Hα-helixtrans-73.3-32.2-179.5-71.9-65.6000112.8P76 F77 S82 L185 L186 L189P76-F80 HydrophobicContact CB-CD2 4.25Å; P76-F80 HydrophobicContact CB-CE2 4.13Å; P76-F80 WeakPolarHBondContact O-CD2 3.45Å; P76-F80 PolarHBondContact O-N 3.08Å; F77-F80 PolarHBondContact O-N 3.4Å; F80-S82 PolarHBondContact O-N 3.18Å; F80-L185 HydrophobicContact CD1-CD1 4.43Å; F80-L185 HydrophobicContact CE1-CD1 3.81Å; F80-L185 HydrophobicContact CZ-CD1 3.88Å; F80-L186 HydrophobicContact CB-CD2 3.65Å; F80-L186 HydrophobicContact CB-CG 3.93Å; F80-L189 HydrophobicContact CD2-CD1 3.7Å; F80-L189 HydrophobicContact CE2-CD1 4.27Å
81S86.7Confident83.9Confident14 Ų1459.4 Ų59.410%0.09834%0.335CS..Hα-helixtrans-68.9-21.8178.672.60000112.5F77 L78 L176F77-S81 WeakPolarHBondContact O-CB 3.43Å; F77-S81 PolarHBondContact O-N 3.13Å; F77-S81 PolarHBondContact O-OG 3.41Å; L78-S81 WeakPolarHBondContact CA-OG 3.48Å; L78-S81 PolarHBondContact O-N 3.14Å; L78-S81 PolarHBondContact O-OG 3.37Å; S81-L176 VanDerWaalsContact O-CD2 3.27Å; S81-L176 WeakPolarHBondContact O-CD2 3.2Å
82S78.8Confident83.6Confident14 Ų1462.1 Ų62.110%0.09835%0.349CS..THydrogen-bonded Turntrans-92.77.8-176-167.10000114.7L78 L79 F80 L91L78-S82 WeakPolarHBondContact O-CB 3.31Å; L78-S82 PolarHBondContact O-N 3.2Å; L79-S82 PolarHBondContact O-N 3.22Å; F80-S82 PolarHBondContact O-N 3.18Å; S82-L91 WeakPolarHBondContact OG-CB 3.32Å
83S61.8Low83.3Confident53 Ų5359.8 Ų59.837%0.37134%0.335SS..  trans-118.1137.7-178.7-1780000110.5
84A51.3Low83Confident92 Ų9259.5 Ų59.576%0.7633%0.332SS*.SBendcis-128.29.825.100000115.1
85N52.7Low82.9Confident172 Ų17262.3 Ų62.392%0.9235%0.346SS*.SBendtrans-12312.5-176.4-99.2-2.9000114
86Q66.4Low82.9Confident82 Ų8264.6 Ų64.638%0.38336%0.356SS..SBendtrans-113.3142.3-179.7-61.6-143.8-8.300112.3A90Q86-A90 HydrophobicContact CB-CB 4.22Å
87S74.2Confident82.9Confident75 Ų7563 Ų6352%0.52435%0.346SS..  trans-61.8148177.764.80000112.1F89 A90S87-F89 PolarHBondContact O-N 2.97Å; S87-A90 WeakPolarHBondContact O-CB 3.46Å; S87-A90 PolarHBondContact O-N 2.99Å
88L84.3Confident83Confident153 Ų15363.9 Ų63.980%0.80135%0.351SS*.Hα-helixtrans-45.2-35.7170.5-175.787.7000112.6A90 L91 L92L88-A90 VanDerWaalsContact C-N 3.32Å; L88-A90 PolarHBondContact O-N 2.87Å; L88-L91 PolarHBondContact O-N 3.46Å; L88-L92 PolarHBondContact O-N 2.82Å
89F84.6Confident83.2Confident126 Ų12666.5 Ų66.555%0.55337%0.372SS*.Hα-helixtrans-62.6-34.9178.9-171.4-110.2000113.5S87 K93S87-F89 PolarHBondContact O-N 2.97Å; F89-K93 HydrophobicContact CD1-CD 4.24Å; F89-K93 HydrophobicContact CE1-CD 3.95Å; F89-K93 HydrophobicContact CZ-CD 4.47Å; F89-K93 WeakPolarHBondContact O-CB 3.33Å; F89-K93 WeakPolarHBondContact O-CG 3.25Å; F89-K93 PolarHBondContact O-N 3.19Å
90A84Confident83.5Confident21 Ų2163.7 Ų63.717%0.17436%0.359CS..Hα-helixtrans-67.8-40.9175.900000111.3Q86 S87 L88 K93 R94Q86-A90 HydrophobicContact CB-CB 4.22Å; S87-A90 WeakPolarHBondContact O-CB 3.46Å; S87-A90 PolarHBondContact O-N 2.99Å; L88-A90 VanDerWaalsContact C-N 3.32Å; L88-A90 PolarHBondContact O-N 2.87Å; A90-K93 WeakPolarHBondContact O-CB 3.45Å; A90-K93 PolarHBondContact O-N 3.23Å; A90-R94 PolarHBondContact O-N 3.4Å
91L88.4Confident83.9Confident37 Ų3760.7 Ų60.719%0.19435%0.346CS..Hα-helixtrans-63.3-48.7174178.955.8000111.4L79 S82 L88 K93 R94 L95L79-L91 HydrophobicContact CD2-CD1 4.04Å; L79-L91 HydrophobicContact CD2-CD2 4.12Å; S82-L91 WeakPolarHBondContact OG-CB 3.32Å; L88-L91 PolarHBondContact O-N 3.46Å; L91-K93 PolarHBondContact O-N 3.48Å; L91-R94 WeakPolarHBondContact O-CB 3.31Å; L91-R94 PolarHBondContact O-N 3.35Å; L91-L95 HydrophobicContact CD1-CD1 4.32Å; L91-L95 HydrophobicContact CD1-CG 4.15Å; L91-L95 HydrophobicContact CG-CD1 4.13Å; L91-L95 HydrophobicContact CG-CG 4.38Å; L91-L95 PolarHBondContact O-N 2.95Å
92L90.9Very high84.4Confident106 Ų10662.1 Ų62.156%0.55535%0.354SS*.Hα-helixtrans-57.2-39.5-179.7-177.864000111.3L88 R94 L95 L96L88-L92 PolarHBondContact O-N 2.82Å; L92-R94 PolarHBondContact O-N 2.96Å; L92-L95 PolarHBondContact O-N 3.25Å; L92-L96 VanDerWaalsContact O-CB 3.31Å; L92-L96 WeakPolarHBondContact O-CB 3.35Å; L92-L96 PolarHBondContact O-N 3.25Å
93K91.3Very high85.3Confident55 Ų5563.9 Ų63.924%0.23937%0.37CS..Hα-helixtrans-59.1-42.6172.9-88.5-178.1170.4-174.40112.9F89 A90 L91 L96 A97 P242F89-K93 HydrophobicContact CD1-CD 4.24Å; F89-K93 HydrophobicContact CE1-CD 3.95Å; F89-K93 HydrophobicContact CZ-CD 4.47Å; F89-K93 WeakPolarHBondContact O-CB 3.33Å; F89-K93 WeakPolarHBondContact O-CG 3.25Å; F89-K93 PolarHBondContact O-N 3.19Å; A90-K93 WeakPolarHBondContact O-CB 3.45Å; A90-K93 PolarHBondContact O-N 3.23Å; L91-K93 PolarHBondContact O-N 3.48Å; K93-L96 PolarHBondContact O-N 2.95Å; K93-A97 PolarHBondContact O-N 2.82Å; K93-P242 VanDerWaalsContact CB-O 3.25Å; K93-P242 WeakPolarHBondContact CB-O 3.13Å; K93-P242 WeakPolarHBondContact CD-O 3.44Å; K93-P242 WeakPolarHBondContact CG-O 3.3Å; K93-P242 WeakPolarHBondContact O-CB 3.1Å
94R92.2Very high87Confident26 Ų2663 Ų6310%0.09836%0.361CS..Hα-helixtrans-67.5-42176.2-63.1-57.184.6-153.5-0.7112.2L78 A90 L91 L92 L96 A97 L98 E169 P242 G243L78-R94 HydrophobicContact CD1-CB 4.33Å; L78-R94 HydrophobicContact CD2-CB 4.18Å; L78-R94 HydrophobicContact CD2-CG 4.43Å; A90-R94 PolarHBondContact O-N 3.4Å; L91-R94 WeakPolarHBondContact O-CB 3.31Å; L91-R94 PolarHBondContact O-N 3.35Å; L92-R94 PolarHBondContact O-N 2.96Å; R94-L96 VanDerWaalsContact C-N 3.32Å; R94-L96 PolarHBondContact O-N 3.38Å; R94-A97 WeakPolarHBondContact O-CB 3.46Å; R94-A97 PolarHBondContact O-N 3.38Å; R94-L98 PolarHBondContact O-N 3.13Å; R94-E169 WeakPolarHBondContact CD-OE2 3.46Å; R94-E169 IonicContact NH1-OE1 2.79Å; R94-E169 PolarHBondContact NH1-OE1 3.42Å; R94-E169 IonicContact NH1-OE2 2.85Å; R94-E169 PolarHBondContact NH1-OE2 3.48Å; R94-P242 VanDerWaalsContact NH2-C 3.31Å; R94-P242 PolarHBondContact NH2-O 3.01Å; R94-G243 PolarHBondContact NH2-O 3.27Å
95L93.6Very high89.2Confident61 Ų6162 Ų6232%0.31934%0.338SS..Hα-helixtrans-65-37.5176-64.6178.6000111.9L79 L91 L92 A97 L98 A99L79-L95 HydrophobicContact CD2-CD2 4.49Å; L91-L95 HydrophobicContact CD1-CD1 4.32Å; L91-L95 HydrophobicContact CD1-CG 4.15Å; L91-L95 HydrophobicContact CG-CD1 4.13Å; L91-L95 HydrophobicContact CG-CG 4.38Å; L91-L95 PolarHBondContact O-N 2.95Å; L92-L95 PolarHBondContact O-N 3.25Å; L95-A97 VanDerWaalsContact C-N 3.34Å; L95-L98 WeakPolarHBondContact O-CB 3.4Å; L95-L98 PolarHBondContact O-N 2.96Å; L95-A99 PolarHBondContact O-N 3.07Å
96L95.4Very high91.3Very high89 Ų8961.6 Ų61.647%0.46633%0.325SS..Hα-helixtrans-64.2-40172.9-175.665.5000111.3L92 K93 R94 L98 A99 V100 P242L92-L96 VanDerWaalsContact O-CB 3.31Å; L92-L96 WeakPolarHBondContact O-CB 3.35Å; L92-L96 PolarHBondContact O-N 3.25Å; K93-L96 PolarHBondContact O-N 2.95Å; R94-L96 VanDerWaalsContact C-N 3.32Å; R94-L96 PolarHBondContact O-N 3.38Å; L96-L98 VanDerWaalsContact C-N 3.27Å; L96-L98 PolarHBondContact O-N 3.48Å; L96-A99 PolarHBondContact O-N 2.89Å; L96-V100 WeakPolarHBondContact O-CG2 3.33Å; L96-V100 PolarHBondContact O-N 3.46Å; L96-P242 HydrophobicContact CB-CG 4.36Å; L96-P242 HydrophobicContact CD2-CG 3.92Å; L96-P242 HydrophobicContact CG-CG 3.91Å
97A95.6Very high92.8Very high0 Ų062 Ų620%033%0.333CS..Hα-helixtrans-60.4-39174.500000112K93 R94 L95 A101 Y236 P242K93-A97 PolarHBondContact O-N 2.82Å; R94-A97 WeakPolarHBondContact O-CB 3.46Å; R94-A97 PolarHBondContact O-N 3.38Å; L95-A97 VanDerWaalsContact C-N 3.34Å; A97-A101 WeakPolarHBondContact O-CB 3.4Å; A97-A101 PolarHBondContact O-N 3.4Å; A97-Y236 VanDerWaalsContact CA-OH 3.25Å; A97-Y236 WeakPolarHBondContact CA-OH 3.42Å; A97-Y236 HydrophobicContact CB-CE2 3.77Å; A97-Y236 PolarHBondContact O-OH 3.36Å; A97-P242 HydrophobicContact CB-CB 3.75Å; A97-P242 HydrophobicContact CB-CG 4.36Å
98L96.6Very high93.8Very high18 Ų1859.6 Ų59.69%0.09432%0.316CS..Hα-helixtrans-69.4-38.1175.6-170.164.2000112.5L71 L74 T75 L78 R94 L95 L96 A101 T102L71-L98 HydrophobicContact CD2-CD1 3.81Å; L71-L98 HydrophobicContact CD2-CD2 4.09Å; L71-L98 HydrophobicContact CD2-CG 3.96Å; L74-L98 HydrophobicContact CD2-CD1 3.97Å; T75-L98 HydrophobicContact CG2-CD2 4.48Å; T75-L98 WeakPolarHBondContact OG1-CD2 3.31Å; L78-L98 HydrophobicContact CD1-CB 4.34Å; L78-L98 HydrophobicContact CD1-CD2 4.29Å; R94-L98 PolarHBondContact O-N 3.13Å; L95-L98 WeakPolarHBondContact O-CB 3.4Å; L95-L98 PolarHBondContact O-N 2.96Å; L96-L98 VanDerWaalsContact C-N 3.27Å; L96-L98 PolarHBondContact O-N 3.48Å; L98-A101 PolarHBondContact O-N 3.44Å; L98-T102 PolarHBondContact O-N 3.14Å; L98-T102 PolarHBondContact O-OG1 2.68Å
99A97.4Very high94.3Very high56 Ų5653.8 Ų53.846%0.46329%0.287SS..Hα-helixtrans-63.8-44.3174.100000111.4L95 L96 A101 T102 A103L95-A99 PolarHBondContact O-N 3.07Å; L96-A99 PolarHBondContact O-N 2.89Å; A99-A101 VanDerWaalsContact C-N 3.33Å; A99-A101 PolarHBondContact O-N 3Å; A99-T102 WeakPolarHBondContact O-CB 3.48Å; A99-T102 PolarHBondContact O-N 2.82Å; A99-A103 PolarHBondContact O-N 3.36Å
100V97.7Very high94.8Very high23 Ų2349.5 Ų49.514%0.13928%0.278CS..Hα-helixtrans-57.3-46.8171.9164.70000110.6L96 T102 A103 V104 T231 W235 Y236 P242L96-V100 WeakPolarHBondContact O-CG2 3.33Å; L96-V100 PolarHBondContact O-N 3.46Å; V100-T102 VanDerWaalsContact C-N 3.29Å; V100-T102 PolarHBondContact O-N 3.28Å; V100-A103 WeakPolarHBondContact O-CB 3.19Å; V100-A103 PolarHBondContact O-N 2.98Å; V100-A103 VanDerWaalsContact O-N 3.13Å; V100-V104 HydrophobicContact CG1-CG2 4.49Å; V100-V104 WeakPolarHBondContact O-CG2 3.31Å; V100-V104 PolarHBondContact O-N 2.99Å; V100-T231 HydrophobicContact CG1-CG2 3.98Å; V100-W235 HydrophobicContact CB-CZ3 4.31Å; V100-W235 HydrophobicContact CG1-CE3 4.3Å; V100-W235 HydrophobicContact CG1-CH2 4.38Å; V100-W235 HydrophobicContact CG1-CZ3 3.53Å; V100-W235 HydrophobicContact CG2-CH2 3.76Å; V100-W235 HydrophobicContact CG2-CZ3 3.76Å; V100-Y236 WeakPolarHBondContact CB-OH 3.42Å; V100-Y236 HydrophobicContact CG1-CE1 4.44Å; V100-Y236 WeakPolarHBondContact CG1-OH 3.46Å; V100-P242 HydrophobicContact CG2-CG 4.42Å
101A97.7Very high95.3Very high1 Ų151.4 Ų51.41%0.00829%0.288CS..Hα-helixtrans-61.8-38.4179.500000112.5W67 A97 L98 A99 V104 W105 Y161 L165W67-A101 HydrophobicContact CH2-CB 3.99Å; W67-A101 HydrophobicContact CZ2-CB 4.49Å; A97-A101 WeakPolarHBondContact O-CB 3.4Å; A97-A101 PolarHBondContact O-N 3.4Å; L98-A101 PolarHBondContact O-N 3.44Å; A99-A101 VanDerWaalsContact C-N 3.33Å; A99-A101 PolarHBondContact O-N 3Å; A101-V104 PolarHBondContact O-N 3.41Å; A101-W105 PolarHBondContact O-N 3.24Å; A101-Y161 VanDerWaalsContact CA-OH 3.31Å; A101-Y161 WeakPolarHBondContact CA-OH 3.3Å; A101-Y161 HydrophobicContact CB-CE1 4.43Å; A101-L165 HydrophobicContact CB-CD1 3.73Å; A101-L165 HydrophobicContact CB-CD2 4.09Å
102T97.9Very high95.5Very high44 Ų4450.4 Ų50.427%0.2728%0.282SS..Hα-helixtrans-63.9-41.2173.8-550000111.7W67 L98 A99 V100 W105 Y106W67-T102 WeakPolarHBondContact CZ2-OG1 3.34Å; L98-T102 PolarHBondContact O-N 3.14Å; L98-T102 PolarHBondContact O-OG1 2.68Å; A99-T102 WeakPolarHBondContact O-CB 3.48Å; A99-T102 PolarHBondContact O-N 2.82Å; V100-T102 VanDerWaalsContact C-N 3.29Å; V100-T102 PolarHBondContact O-N 3.28Å; T102-W105 HydrophobicContact CG2-CE3 4.36Å; T102-W105 PolarHBondContact O-N 3.14Å; T102-Y106 WeakPolarHBondContact O-CB 3.46Å; T102-Y106 PolarHBondContact O-N 3.25Å
103A97.8Very high95.5Very high52 Ų5250.2 Ų50.243%0.4328%0.281SS..Hα-helixtrans-63.8-43.3175.800000111.9A99 V100 Y106 V107A99-A103 PolarHBondContact O-N 3.36Å; V100-A103 WeakPolarHBondContact O-CB 3.19Å; V100-A103 PolarHBondContact O-N 2.98Å; V100-A103 VanDerWaalsContact O-N 3.13Å; A103-Y106 PolarHBondContact O-N 2.85Å; A103-V107 WeakPolarHBondContact O-CB 3.44Å; A103-V107 VanDerWaalsContact O-CG2 3.29Å; A103-V107 WeakPolarHBondContact O-CG2 3.46Å; A103-V107 PolarHBondContact O-N 3.46Å
104V97.8Very high95.5Very high33 Ų3355.1 Ų55.120%0.230%0.299CS..Hα-helixtrans-59.6-48.1175.5173.70000110.7V100 A101 Y106 V107 C108 Y161 T231V100-V104 HydrophobicContact CG1-CG2 4.49Å; V100-V104 WeakPolarHBondContact O-CG2 3.31Å; V100-V104 PolarHBondContact O-N 2.99Å; A101-V104 PolarHBondContact O-N 3.41Å; V104-Y106 PolarHBondContact O-N 3.46Å; V104-V107 PolarHBondContact O-N 2.91Å; V104-C108 WeakPolarHBondContact O-CB 3.46Å; V104-C108 PolarHBondContact O-N 3.41Å; V104-C108 PolarHBondContact O-SG 3.2Å; V104-C108 VanDerWaalsContact O-SG 3.35Å; V104-Y161 HydrophobicContact CB-CE1 4.37Å; V104-Y161 HydrophobicContact CG1-CE1 4.22Å; V104-Y161 HydrophobicContact CG1-CE2 4.3Å; V104-T231 HydrophobicContact CG2-CG2 4.5Å
105W97.3Very high95.4Very high73 Ų7356.2 Ų56.228%0.27731%0.306SS..Hα-helixtrans-56.7-49.2175.7164.572.8000112.2W67 A101 T102 C108 T109 F157 I158W67-W105 HydrophobicContact CB-CD2 4.5Å; W67-W105 HydrophobicContact CB-CZ2 4.41Å; W67-W105 AromaticContact CD1-CD2 3.78Å; W67-W105 AromaticContact CD1-CE3 3.69Å; W67-W105 AromaticContact CD1-CZ3 3.93Å; W67-W105 HydrophobicContact CD2-CB 4.39Å; W67-W105 HydrophobicContact CD2-CD2 4.23Å; W67-W105 HydrophobicContact CD2-CG 4.08Å; W67-W105 HydrophobicContact CE3-CG 4.49Å; W67-W105 AromaticContact CG-CD2 3.92Å; W67-W105 HydrophobicContact CG-CD2 3.92Å; W67-W105 HydrophobicContact CG-CE3 4.29Å; W67-W105 HydrophobicContact CG-CG 4.21Å; W67-W105 HydrophobicContact CG-CZ2 4.49Å; W67-W105 HydrophobicContact CZ2-CB 4.41Å; W67-W105 AromaticContact NE1-CE3 3.75Å; A101-W105 PolarHBondContact O-N 3.24Å; T102-W105 HydrophobicContact CG2-CE3 4.36Å; T102-W105 PolarHBondContact O-N 3.14Å; W105-C108 PolarHBondContact O-N 2.85Å; W105-T109 WeakPolarHBondContact O-CB 3.2Å; W105-T109 WeakPolarHBondContact O-CG2 3.47Å; W105-T109 PolarHBondContact O-N 3.16Å; W105-T109 PolarHBondContact O-OG1 3.42Å; W105-F157 AromaticContact CD1-CE1 3.88Å; W105-I158 HydrophobicContact CG-CD1 4.13Å
106Y96.7Very high95.3Very high162 Ų16253.8 Ų53.864%0.63529%0.293SS*.Hα-helixtrans-62-46.4-178.3-177.7-99.6000111.8T102 A103 V104 T109 G110T102-Y106 WeakPolarHBondContact O-CB 3.46Å; T102-Y106 PolarHBondContact O-N 3.25Å; A103-Y106 PolarHBondContact O-N 2.85Å; V104-Y106 PolarHBondContact O-N 3.46Å; Y106-T109 PolarHBondContact O-OG1 3.34Å; Y106-G110 PolarHBondContact O-N 2.85Å
107V97.1Very high94.8Very high90 Ų9052.7 Ų52.755%0.54529%0.288SS..Hα-helixtrans-64-46.9178.1171.60000111.2A103 V104 T111A103-V107 WeakPolarHBondContact O-CB 3.44Å; A103-V107 VanDerWaalsContact O-CG2 3.29Å; A103-V107 WeakPolarHBondContact O-CG2 3.46Å; A103-V107 PolarHBondContact O-N 3.46Å; V104-V107 PolarHBondContact O-N 2.91Å; V107-T111 VanDerWaalsContact O-CB 3.31Å; V107-T111 WeakPolarHBondContact O-CB 3.34Å; V107-T111 PolarHBondContact O-N 2.9Å; V107-T111 PolarHBondContact O-OG1 2.94Å
108C96.1Very high94.4Very high25 Ų2557 Ų5717%0.16931%0.314CS..Hα-helixtrans-62.2-49.2179.7-74.50000111.8V104 W105 T111 F112 F157V104-C108 WeakPolarHBondContact O-CB 3.46Å; V104-C108 PolarHBondContact O-N 3.41Å; V104-C108 PolarHBondContact O-SG 3.2Å; V104-C108 VanDerWaalsContact O-SG 3.35Å; W105-C108 PolarHBondContact O-N 2.85Å; C108-T111 WeakPolarHBondContact O-CB 3.32Å; C108-T111 PolarHBondContact O-N 3.47Å; C108-F112 HydrophobicContact CB-CZ 4.3Å; C108-F112 VanDerWaalsContact O-CD1 3.29Å; C108-F112 WeakPolarHBondContact O-CD1 3.29Å; C108-F112 WeakPolarHBondContact O-CG 3.41Å; C108-F112 PolarHBondContact O-N 2.71Å; C108-F157 HydrophobicContact CB-CD1 4.34Å; C108-F157 HydrophobicContact CB-CE1 3.64Å; C108-F157 HydrophobicContact CB-CE2 3.9Å; C108-F157 HydrophobicContact CB-CZ 3.4Å; C108-F157 VanDerWaalsContact CB-CZ 3.4Å
109T94Very high94Very high32 Ų3259.7 Ų59.720%0.19633%0.331CS..Hα-helixtrans-65.1-41.6179.751.80000112.6W105 Y106 T111 F112 L113 F157W105-T109 WeakPolarHBondContact O-CB 3.2Å; W105-T109 WeakPolarHBondContact O-CG2 3.47Å; W105-T109 PolarHBondContact O-N 3.16Å; W105-T109 PolarHBondContact O-OG1 3.42Å; Y106-T109 PolarHBondContact O-OG1 3.34Å; T109-T111 VanDerWaalsContact C-N 3.3Å; T109-T111 PolarHBondContact O-N 3.21Å; T109-F112 PolarHBondContact O-N 3.1Å; T109-L113 WeakPolarHBondContact O-CG 3.26Å; T109-L113 PolarHBondContact O-N 3.27Å; T109-L113 VanDerWaalsContact O-N 3.09Å; T109-F157 HydrophobicContact CG2-CD1 4.22Å; T109-F157 HydrophobicContact CG2-CE1 4.13Å
110G94.4Very high93.4Very high35 Ų3557.6 Ų57.636%0.36132%0.315SS..Hα-helixtrans-60.2-40.2172.400000112.4Y106 L113 Y114Y106-G110 PolarHBondContact O-N 2.85Å; G110-L113 PolarHBondContact O-N 3.4Å; G110-Y114 WeakPolarHBondContact O-CB 3.23Å; G110-Y114 PolarHBondContact O-N 3.05Å
111T94.5Very high92.8Very high62 Ų6259 Ų5938%0.3833%0.326SS..Hα-helixtrans-65.6-40.9176.3-56.80000111.7V107 C108 T109 Y114 I115V107-T111 VanDerWaalsContact O-CB 3.31Å; V107-T111 WeakPolarHBondContact O-CB 3.34Å; V107-T111 PolarHBondContact O-N 2.9Å; V107-T111 PolarHBondContact O-OG1 2.94Å; C108-T111 WeakPolarHBondContact O-CB 3.32Å; C108-T111 PolarHBondContact O-N 3.47Å; T109-T111 VanDerWaalsContact C-N 3.3Å; T109-T111 PolarHBondContact O-N 3.21Å; T111-Y114 PolarHBondContact O-N 3.05Å; T111-I115 HydrophobicContact CG2-CD1 3.85Å; T111-I115 HydrophobicContact CG2-CG1 4.37Å; T111-I115 VanDerWaalsContact O-CG1 3.27Å; T111-I115 WeakPolarHBondContact O-CG1 3.27Å; T111-I115 PolarHBondContact O-N 3.49Å
112F94.2Very high92.2Very high16 Ų1659.1 Ų59.17%0.0733%0.327CS..Hα-helixtrans-62.8-44.4177.2-60.6-17.1000111.8C108 T109 Y114 I115 E116 I152 F157 C223C108-F112 HydrophobicContact CB-CZ 4.3Å; C108-F112 VanDerWaalsContact O-CD1 3.29Å; C108-F112 WeakPolarHBondContact O-CD1 3.29Å; C108-F112 WeakPolarHBondContact O-CG 3.41Å; C108-F112 PolarHBondContact O-N 2.71Å; T109-F112 PolarHBondContact O-N 3.1Å; F112-Y114 VanDerWaalsContact C-N 3.34Å; F112-Y114 PolarHBondContact O-N 3.35Å; F112-I115 PolarHBondContact O-N 3.27Å; F112-E116 PolarHBondContact O-N 3.42Å; F112-I152 HydrophobicContact CB-CB 4.39Å; F112-I152 HydrophobicContact CD1-CB 4.05Å; F112-I152 HydrophobicContact CD1-CD1 3.88Å; F112-I152 HydrophobicContact CD1-CG2 3.83Å; F112-I152 HydrophobicContact CD2-CG2 4.15Å; F112-I152 HydrophobicContact CE1-CB 4.49Å; F112-I152 HydrophobicContact CE1-CD1 4.3Å; F112-I152 HydrophobicContact CE1-CG2 3.77Å; F112-I152 HydrophobicContact CE2-CG2 4.09Å; F112-I152 HydrophobicContact CG-CB 4.08Å; F112-I152 HydrophobicContact CG-CG2 4.03Å; F112-I152 HydrophobicContact CZ-CG2 3.91Å; F112-F157 HydrophobicContact CE2-CB 3.69Å; F112-F157 AromaticContact CE2-CD1 3.95Å; F112-F157 HydrophobicContact CE2-CD1 3.95Å; F112-F157 AromaticContact CE2-CG 3.8Å; F112-F157 HydrophobicContact CE2-CG 3.8Å; F112-F157 HydrophobicContact CZ-CB 4.2Å; F112-F157 HydrophobicContact CZ-CD2 4.47Å; F112-F157 HydrophobicContact CZ-CG 4.18Å; F112-C223 HydrophobicContact CE1-CB 4.36Å; F112-C223 HydrophobicContact CZ-CB 3.79Å
113L90.9Very high91.5Very high102 Ų10259.6 Ų59.653%0.53433%0.325SS..Hα-helixtrans-62.2-42.6175.7-67.2174.4000111.5T109 G110 E116 D117T109-L113 WeakPolarHBondContact O-CG 3.26Å; T109-L113 PolarHBondContact O-N 3.27Å; T109-L113 VanDerWaalsContact O-N 3.09Å; G110-L113 PolarHBondContact O-N 3.4Å; L113-E116 PolarHBondContact O-N 3.47Å; L113-D117 WeakPolarHBondContact O-CB 3.49Å; L113-D117 PolarHBondContact O-N 3.23Å
114Y91Very high90.7Very high157 Ų15761.3 Ų61.362%0.61632%0.324SS*.Hα-helixtrans-62.1-43.6176.1177.1-104000112.4G110 T111 F112 D117 V118G110-Y114 WeakPolarHBondContact O-CB 3.23Å; G110-Y114 PolarHBondContact O-N 3.05Å; T111-Y114 PolarHBondContact O-N 3.05Å; F112-Y114 VanDerWaalsContact C-N 3.34Å; F112-Y114 PolarHBondContact O-N 3.35Å; Y114-D117 PolarHBondContact O-N 3.02Å; Y114-V118 HydrophobicContact CD2-CG2 4.11Å; Y114-V118 HydrophobicContact CE1-CG2 4.08Å; Y114-V118 HydrophobicContact CE2-CG2 3.63Å; Y114-V118 WeakPolarHBondContact O-CG2 3.35Å; Y114-V118 PolarHBondContact O-N 2.99Å
115I90.6Very high89.3Confident49 Ų4964.5 Ų64.525%0.25135%0.348SS..Hα-helixtrans-61.9-45176.5-70.6166.8000110.4T111 F112 D117 V118 T119 I152T111-I115 HydrophobicContact CG2-CD1 3.85Å; T111-I115 HydrophobicContact CG2-CG1 4.37Å; T111-I115 VanDerWaalsContact O-CG1 3.27Å; T111-I115 WeakPolarHBondContact O-CG1 3.27Å; T111-I115 PolarHBondContact O-N 3.49Å; F112-I115 PolarHBondContact O-N 3.27Å; I115-D117 VanDerWaalsContact C-N 3.31Å; I115-D117 PolarHBondContact O-N 3.21Å; I115-V118 PolarHBondContact O-N 3.39Å; I115-T119 HydrophobicContact CG2-CG2 4.06Å; I115-T119 VanDerWaalsContact O-CB 3.3Å; I115-T119 WeakPolarHBondContact O-CB 3.45Å; I115-T119 VanDerWaalsContact O-CG2 3.27Å; I115-T119 WeakPolarHBondContact O-CG2 3.23Å; I115-T119 PolarHBondContact O-N 3.38Å; I115-T119 PolarHBondContact O-OG1 3.01Å; I115-I152 HydrophobicContact CD1-CD1 3.79Å; I115-I152 HydrophobicContact CG2-CD1 4.28Å
116E89.6Confident87.5Confident10 Ų1069.9 Ų69.95%0.04738%0.376CS..Hα-helixtrans-62.1-39.1178.7-166.5-164.9167.600112F112 L113 G120 K137 W147 D151F112-E116 PolarHBondContact O-N 3.42Å; L113-E116 PolarHBondContact O-N 3.47Å; E116-G120 PolarHBondContact O-N 2.96Å; E116-G120 VanDerWaalsContact O-N 3.12Å; E116-K137 WeakPolarHBondContact OE1-CE 3.2Å; E116-K137 IonicContact OE1-NZ 2.66Å; E116-K137 PolarHBondContact OE1-NZ 2.81Å; E116-K137 IonicContact OE2-NZ 2.67Å; E116-K137 PolarHBondContact OE2-NZ 2.69Å; E116-W147 PolarHBondContact O-NE1 3.43Å; E116-W147 VanDerWaalsContact O-NE1 3.13Å; E116-D151 HydrophobicContact CG-CB 4.44Å
117D86.5Confident85.6Confident66 Ų6665.4 Ų65.435%0.35337%0.366SS..Hα-helixtrans-71.3-36.7178.6-85.7-4.4000112.7L113 Y114 I115 K137 W147L113-D117 WeakPolarHBondContact O-CB 3.49Å; L113-D117 PolarHBondContact O-N 3.23Å; Y114-D117 PolarHBondContact O-N 3.02Å; I115-D117 VanDerWaalsContact C-N 3.31Å; I115-D117 PolarHBondContact O-N 3.21Å; D117-K137 WeakPolarHBondContact OD1-CB 3.4Å; D117-W147 VanDerWaalsContact O-CZ2 3.25Å; D117-W147 WeakPolarHBondContact O-CZ2 3.26Å
118V87.3Confident84Confident92 Ų9265.6 Ų65.656%0.55838%0.377SS*.Hα-helixtrans-82.4-33.3-179.41730000112.4Y114 I115Y114-V118 HydrophobicContact CD2-CG2 4.11Å; Y114-V118 HydrophobicContact CE1-CG2 4.08Å; Y114-V118 HydrophobicContact CE2-CG2 3.63Å; Y114-V118 WeakPolarHBondContact O-CG2 3.35Å; Y114-V118 PolarHBondContact O-N 2.99Å; I115-V118 PolarHBondContact O-N 3.39Å
119T87.6Confident82.6Confident74 Ų7470.8 Ų70.845%0.45440%0.398SS..Hα-helixtrans-87.8-12.5-178.761.60000113.4I115 H150I115-T119 HydrophobicContact CG2-CG2 4.06Å; I115-T119 VanDerWaalsContact O-CB 3.3Å; I115-T119 WeakPolarHBondContact O-CB 3.45Å; I115-T119 VanDerWaalsContact O-CG2 3.27Å; I115-T119 WeakPolarHBondContact O-CG2 3.23Å; I115-T119 PolarHBondContact O-N 3.38Å; I115-T119 PolarHBondContact O-OG1 3.01Å; T119-H150 WeakPolarHBondContact OG1-CB 3.33Å; T119-H150 PolarHBondContact OG1-N 3.39Å; T119-H150 VanDerWaalsContact OG1-N 3.17Å
120G84.8Confident81.4Confident12 Ų1273.8 Ų73.812%0.12441%0.412CS..  trans-85.3162.5-173.900000114.8E116 Q148 G149E116-G120 PolarHBondContact O-N 2.96Å; E116-G120 VanDerWaalsContact O-N 3.12Å; G120-Q148 CarbonylContact C-O 3.28Å; G120-Q148 VanDerWaalsContact CA-O 3.22Å; G120-Q148 WeakPolarHBondContact CA-O 3.33Å; G120-G149 VanDerWaalsContact CA-CA 3.44Å
121S85.8Confident80.2Confident53 Ų5373.1 Ų73.137%0.37140%0.403SS..EExtended strand (participates in β ladder)trans-135147.9176-66.50000110.2F123 Q148S121-F123 WeakPolarHBondContact O-CD2 3.25Å; S121-Q148 PolarHBondContact N-O 3.36Å; S121-Q148 PolarHBondContact O-N 3.35Å
122C84.8Confident78.8Confident3 Ų376.6 Ų76.62%0.0242%0.42CS..EExtended strand (participates in β ladder)trans-95.4127.8-179.1-169.20000111.1A131 L134 C140 F145 W147C122-A131 HydrophobicContact CB-CB 4.28Å; C122-A131 PolarHBondContact O-N 3.36Å; C122-L134 HydrophobicContact CB-CB 4.39Å; C122-C140 WeakPolarHBondContact CA-SG 3.36Å; C122-C140 HydrophobicContact CB-CB 3.76Å; C122-C140 WeakPolarHBondContact CB-SG 3.23Å; C122-C140 VanDerWaalsContact SG-CA 3.55Å; C122-C140 WeakPolarHBondContact SG-CB 3.37Å; C122-C140 CovalentContact SG-SG 2.03Å; C122-C140 PolarHBondContact SG-SG 2.97Å; C122-F145 WeakPolarHBondContact SG-CB 3.29Å; C122-W147 HydrophobicContact CB-CE3 4.02Å; C122-W147 HydrophobicContact CB-CZ3 4.13Å
123F82.1Confident77.6Confident54 Ų5485.5 Ų85.524%0.23746%0.458CS..EExtended strand (participates in β ladder)trans-118.6133.2-178.1-66.9-91.8000111S121 I130 F145 H146 Q148S121-F123 WeakPolarHBondContact O-CD2 3.25Å; F123-I130 HydrophobicContact CE1-CG1 4.15Å; F123-F145 VanDerWaalsContact O-CB 3.31Å; F123-F145 WeakPolarHBondContact O-CB 3.44Å; F123-H146 PolarHBondContact N-O 3.18Å; F123-H146 PolarHBondContact O-N 3.49Å; F123-Q148 HydrophobicContact CD2-CB 3.99Å; F123-Q148 HydrophobicContact CE2-CB 3.78Å
124E81.1Confident76.7Confident87 Ų8782.9 Ų82.941%0.40744%0.444SS..  trans-77.4138.1174.6-177.1159.5-155.300111.3Q126 H129 F145E124-Q126 VanDerWaalsContact C-N 3.29Å; E124-Q126 PolarHBondContact O-N 2.91Å; E124-H129 PolarHBondContact N-O 2.95Å; E124-F145 HydrophobicContact CB-CD1 4.04Å; E124-F145 HydrophobicContact CB-CE1 4.02Å; E124-F145 HydrophobicContact CG-CD1 3.94Å; E124-F145 HydrophobicContact CG-CE1 3.57Å; E124-F145 HydrophobicContact CG-CZ 4.36Å
125S68.1Low75.8Confident101 Ų10181.1 Ų81.171%0.70645%0.45SS*.SBendtrans-67.9-23.5-167.3-167.30000114.2
126Q60Low75.4Confident185 Ų18580.9 Ų80.986%0.86445%0.453SS*.SBendtrans-107.4-13.3-171.7-64.6-172.518.100114.4E124E124-Q126 VanDerWaalsContact C-N 3.29Å; E124-Q126 PolarHBondContact O-N 2.91Å
127T57.3Low75.1Confident69 Ų6982.3 Ų82.342%0.42346%0.459SS..SBendtrans-147.7133.9171.647.30000106.3H129T127-H129 PolarHBondContact O-N 3.14Å; T127-H129 PolarHBondContact OG1-CD2 3.33Å
128A62.5Low75.1Confident93 Ų9383 Ų8377%0.76947%0.474SS*.  trans-68.138178.900000113.1
129H68.6Low74.9Confident134 Ų13480.4 Ų80.462%0.6246%0.462SS*.  trans-78.4131.2171.7-76.5-59.1000109.6E124 T127 A131E124-H129 PolarHBondContact N-O 2.95Å; T127-H129 PolarHBondContact O-N 3.14Å; T127-H129 PolarHBondContact OG1-CD2 3.33Å; H129-A131 PolarHBondContact O-N 3.16Å
130I68.4Low74.8Confident95 Ų9576.9 Ų76.949%0.48744%0.441SS..BIsolated β-bridgetrans-76.8116-179.2-53.4173.7000108.3F123 N132F123-I130 HydrophobicContact CE1-CG1 4.15Å; I130-N132 VanDerWaalsContact C-N 3.29Å; I130-N132 WeakPolarHBondContact CG2-OD1 3.43Å; I130-N132 PolarHBondContact O-N 3.39Å
131A67.9Low74.9Confident21 Ų2183 Ų8317%0.17446%0.46CS..  trans-82.273.1177.400000110.2C122 H129 K133 L134 F145C122-A131 HydrophobicContact CB-CB 4.28Å; C122-A131 PolarHBondContact O-N 3.36Å; H129-A131 PolarHBondContact O-N 3.16Å; A131-K133 PolarHBondContact O-N 3.01Å; A131-L134 PolarHBondContact O-N 3.07Å; A131-F145 HydrophobicContact CB-CD2 4.36Å; A131-F145 HydrophobicContact CB-CE2 4.43Å
132N66.4Low74.8Confident136 Ų13684 Ų8473%0.72748%0.478SS*.THydrogen-bonded Turntrans-59.2-8.8-176.8-73.3-26.1000115.2I130I130-N132 VanDerWaalsContact C-N 3.29Å; I130-N132 WeakPolarHBondContact CG2-OD1 3.43Å; I130-N132 PolarHBondContact O-N 3.39Å
133K68.6Low74.8Confident202 Ų20286.2 Ų86.288%0.87850%0.497SS*.THydrogen-bonded Turntrans-83.4-19.4-177.1-156.8173.6-176.6-179.70113.3A131A131-K133 PolarHBondContact O-N 3.01Å
134L71.1Confident74.8Confident47 Ų4786.4 Ų86.425%0.24651%0.514CS..  trans-109101.3-177.2-71153.4000109.2C122 A131 A139 A143 F145C122-L134 HydrophobicContact CB-CB 4.39Å; A131-L134 PolarHBondContact O-N 3.07Å; L134-A139 HydrophobicContact CD2-CB 3.54Å; L134-A143 HydrophobicContact CD1-CB 3.96Å; L134-F145 HydrophobicContact CD1-CD2 3.56Å; L134-F145 HydrophobicContact CD1-CE2 3.62Å
135T72.9Confident75.1Confident121 Ų12184.5 Ų84.574%0.74251%0.505SS*.  trans-91.7-2.1-174.853.40000114.1
136S82.4Confident75.9Confident44 Ų4485.3 Ų85.331%0.30850%0.497SS..SBendtrans-121.5142.2177.473.40000112A138 A139 C140S136-A138 PolarHBondContact O-N 3.42Å; S136-A139 PolarHBondContact O-N 2.97Å; S136-A139 WeakPolarHBondContact OG-CB 3.44Å; S136-A139 PolarHBondContact OG-N 3.41Å; S136-C140 WeakPolarHBondContact O-CB 3.39Å; S136-C140 PolarHBondContact O-N 3.4Å
137K84Confident77Confident39 Ų3977 Ų7717%0.1746%0.458CS..Hα-helixtrans-54.8-41.2175.9-179.5-178.8-175.8-178.30112.4E116 D117 C140 R141 W147E116-K137 WeakPolarHBondContact OE1-CE 3.2Å; E116-K137 IonicContact OE1-NZ 2.66Å; E116-K137 PolarHBondContact OE1-NZ 2.81Å; E116-K137 IonicContact OE2-NZ 2.67Å; E116-K137 PolarHBondContact OE2-NZ 2.69Å; D117-K137 WeakPolarHBondContact OD1-CB 3.4Å; K137-C140 PolarHBondContact O-N 2.81Å; K137-R141 VanDerWaalsContact CE-NH2 3.31Å; K137-R141 WeakPolarHBondContact O-CB 3.24Å; K137-R141 WeakPolarHBondContact O-CG 3.35Å; K137-R141 PolarHBondContact O-N 3.29Å; K137-W147 HydrophobicContact CB-CD2 3.88Å; K137-W147 HydrophobicContact CB-CE3 4.42Å; K137-W147 HydrophobicContact CB-CG 3.96Å; K137-W147 HydrophobicContact CD-CG 4.46Å; K137-W147 HydrophobicContact CG-CB 4.05Å; K137-W147 HydrophobicContact CG-CD2 4.24Å; K137-W147 HydrophobicContact CG-CG 3.76Å
138A85Confident78.3Confident80 Ų8079.6 Ų79.666%0.66147%0.465SS*.Hα-helixtrans-64.2-45.7179.100000112.1S136 G142S136-A138 PolarHBondContact O-N 3.42Å; A138-G142 PolarHBondContact O-N 3.39Å
139A84.5Confident79.2Confident39 Ų3976.5 Ų76.532%0.32244%0.442SS..Hα-helixtrans-68.4-40.217800000111.5L134 S136 G142 A143L134-A139 HydrophobicContact CD2-CB 3.54Å; S136-A139 PolarHBondContact O-N 2.97Å; S136-A139 WeakPolarHBondContact OG-CB 3.44Å; S136-A139 PolarHBondContact OG-N 3.41Å; A139-G142 PolarHBondContact O-N 3.03Å; A139-A143 PolarHBondContact O-N 3.38Å
140C85.6Confident80Confident0 Ų072.3 Ų72.30%042%0.423CS..Hα-helixtrans-57.8-52.8175.4-178.40000111.8C122 S136 K137 G142 A143 G144 F145 W147C122-C140 WeakPolarHBondContact CA-SG 3.36Å; C122-C140 HydrophobicContact CB-CB 3.76Å; C122-C140 WeakPolarHBondContact CB-SG 3.23Å; C122-C140 VanDerWaalsContact SG-CA 3.55Å; C122-C140 WeakPolarHBondContact SG-CB 3.37Å; C122-C140 CovalentContact SG-SG 2.03Å; C122-C140 PolarHBondContact SG-SG 2.97Å; S136-C140 WeakPolarHBondContact O-CB 3.39Å; S136-C140 PolarHBondContact O-N 3.4Å; K137-C140 PolarHBondContact O-N 2.81Å; C140-G142 VanDerWaalsContact C-N 3.34Å; C140-G142 PolarHBondContact O-N 3.47Å; C140-A143 PolarHBondContact O-N 2.9Å; C140-G144 PolarHBondContact O-N 2.83Å; C140-F145 WeakPolarHBondContact O-CB 3.34Å; C140-F145 PolarHBondContact O-N 3.38Å; C140-W147 HydrophobicContact CB-CE3 3.71Å; C140-W147 HydrophobicContact CB-CZ3 4.3Å
141R85.4Confident80.9Confident140 Ų14071 Ų7153%0.52842%0.417SS..Hα-helixtrans-67.7-34.3178.8-70.8-177.7176.1-174.2-1.4112.6K137 A143 G144K137-R141 VanDerWaalsContact CE-NH2 3.31Å; K137-R141 WeakPolarHBondContact O-CB 3.24Å; K137-R141 WeakPolarHBondContact O-CG 3.35Å; K137-R141 PolarHBondContact O-N 3.29Å; R141-A143 PolarHBondContact O-N 3.35Å; R141-G144 PolarHBondContact O-N 3.44Å
142G84.5Confident82Confident73 Ų7370.5 Ų70.575%0.75341%0.411SS*.Hα-helixtrans-62.5-30.7174.100000113.1A138 A139 C140 G144A138-G142 PolarHBondContact O-N 3.39Å; A139-G142 PolarHBondContact O-N 3.03Å; C140-G142 VanDerWaalsContact C-N 3.34Å; C140-G142 PolarHBondContact O-N 3.47Å; G142-G144 VanDerWaalsContact C-N 3.25Å; G142-G144 PolarHBondContact O-N 2.99Å
143A83.9Confident83.3Confident51 Ų5164 Ų6442%0.42138%0.376SS..THydrogen-bonded Turntrans-80.90.7173.100000113.8L134 A139 C140 R141 F145L134-A143 HydrophobicContact CD1-CB 3.96Å; A139-A143 PolarHBondContact O-N 3.38Å; C140-A143 PolarHBondContact O-N 2.9Å; R141-A143 PolarHBondContact O-N 3.35Å; A143-F145 VanDerWaalsContact C-N 3.34Å; A143-F145 HydrophobicContact CB-CD2 3.62Å; A143-F145 HydrophobicContact CB-CE2 3.7Å; A143-F145 HydrophobicContact CB-CG 4.25Å; A143-F145 HydrophobicContact CB-CZ 4.39Å
144G83.3Confident84.5Confident57 Ų5755.7 Ų55.759%0.58835%0.347SS*.THydrogen-bonded Turntrans80.412.4-177.200000114.3C140 R141 G142C140-G144 PolarHBondContact O-N 2.83Å; R141-G144 PolarHBondContact O-N 3.44Å; G142-G144 VanDerWaalsContact C-N 3.25Å; G142-G144 PolarHBondContact O-N 2.99Å
145F86.3Confident85.6Confident48 Ų4855.8 Ų55.821%0.21135%0.347CS..PPolyproline II helixtrans-94.2161.7-179.2-58.7-32.6000112.4C122 F123 E124 A131 L134 C140 A143C122-F145 WeakPolarHBondContact SG-CB 3.29Å; F123-F145 VanDerWaalsContact O-CB 3.31Å; F123-F145 WeakPolarHBondContact O-CB 3.44Å; E124-F145 HydrophobicContact CB-CD1 4.04Å; E124-F145 HydrophobicContact CB-CE1 4.02Å; E124-F145 HydrophobicContact CG-CD1 3.94Å; E124-F145 HydrophobicContact CG-CE1 3.57Å; E124-F145 HydrophobicContact CG-CZ 4.36Å; A131-F145 HydrophobicContact CB-CD2 4.36Å; A131-F145 HydrophobicContact CB-CE2 4.43Å; L134-F145 HydrophobicContact CD1-CD2 3.56Å; L134-F145 HydrophobicContact CD1-CE2 3.62Å; C140-F145 WeakPolarHBondContact O-CB 3.34Å; C140-F145 PolarHBondContact O-N 3.38Å; A143-F145 VanDerWaalsContact C-N 3.34Å; A143-F145 HydrophobicContact CB-CD2 3.62Å; A143-F145 HydrophobicContact CB-CE2 3.7Å; A143-F145 HydrophobicContact CB-CG 4.25Å; A143-F145 HydrophobicContact CB-CZ 4.39Å
146H84.6Confident86.7Confident118 Ų11850 Ų5055%0.54631%0.311SS..EExtended strand (participates in β ladder)trans-94.2129.4-179.8-167.5-84000110.8F123F123-H146 PolarHBondContact N-O 3.18Å; F123-H146 PolarHBondContact O-N 3.49Å
147W84.9Confident87.4Confident10 Ų1048 Ų484%0.03830%0.297CS..EExtended strand (participates in β ladder)trans-96.7127.5174.8-174.4-97000110E116 D117 C122 K137 C140E116-W147 PolarHBondContact O-NE1 3.43Å; E116-W147 VanDerWaalsContact O-NE1 3.13Å; D117-W147 VanDerWaalsContact O-CZ2 3.25Å; D117-W147 WeakPolarHBondContact O-CZ2 3.26Å; C122-W147 HydrophobicContact CB-CE3 4.02Å; C122-W147 HydrophobicContact CB-CZ3 4.13Å; K137-W147 HydrophobicContact CB-CD2 3.88Å; K137-W147 HydrophobicContact CB-CE3 4.42Å; K137-W147 HydrophobicContact CB-CG 3.96Å; K137-W147 HydrophobicContact CD-CG 4.46Å; K137-W147 HydrophobicContact CG-CB 4.05Å; K137-W147 HydrophobicContact CG-CD2 4.24Å; K137-W147 HydrophobicContact CG-CG 3.76Å; C140-W147 HydrophobicContact CB-CE3 3.71Å; C140-W147 HydrophobicContact CB-CZ3 4.3Å
148Q82.8Confident88.1Confident124 Ų12446.5 Ų46.558%0.57929%0.29SS*.EExtended strand (participates in β ladder)trans-124.7113.1174.9-178.7173.8-6.100109G120 S121 F123G120-Q148 CarbonylContact C-O 3.28Å; G120-Q148 VanDerWaalsContact CA-O 3.22Å; G120-Q148 WeakPolarHBondContact CA-O 3.33Å; S121-Q148 PolarHBondContact N-O 3.36Å; S121-Q148 PolarHBondContact O-N 3.35Å; F123-Q148 HydrophobicContact CD2-CB 3.99Å; F123-Q148 HydrophobicContact CE2-CB 3.78Å
149G82.3Confident88.7Confident27 Ų2742.7 Ų42.728%0.27826%0.259SS..  trans-144.8178.7178.200000111.1G120 D151G120-G149 VanDerWaalsContact CA-CA 3.44Å; G149-D151 PolarHBondContact O-N 3.26Å; G149-D151 VanDerWaalsContact O-N 3.16Å
150H84.6Confident89.3Confident47 Ų4740.8 Ų40.822%0.21824%0.244CC..  trans-77.3101.7177.8-174.253.4000110.1T119 I152 D216 L219T119-H150 WeakPolarHBondContact OG1-CB 3.33Å; T119-H150 PolarHBondContact OG1-N 3.39Å; T119-H150 VanDerWaalsContact OG1-N 3.17Å; H150-I152 PolarHBondContact O-N 3.25Å; H150-D216 IonicContact CE1-OD1 3.21Å; H150-D216 PolarHBondContact CE1-OD1 3.02Å; H150-D216 IonicContact ND1-OD1 2.86Å; H150-D216 PolarHBondContact ND1-OD1 2.91Å; H150-D216 IonicContact NE2-OD1 3.21Å; H150-L219 VanDerWaalsContact NE2-CD1 3.3Å; H150-L219 WeakPolarHBondContact NE2-CD1 3.46Å
151D87.1Confident89.9Confident67 Ų6740.8 Ų40.836%0.35824%0.244SC..  trans-96.884-176.3-178.316.1000111E116 G149 S153 H212 D216E116-D151 HydrophobicContact CG-CB 4.44Å; G149-D151 PolarHBondContact O-N 3.26Å; G149-D151 VanDerWaalsContact O-N 3.16Å; D151-S153 PolarHBondContact O-N 3.31Å; D151-H212 PolarHBondContact O-ND1 2.89Å; D151-H212 IonicContact OD1-CE1 3.91Å; D151-H212 IonicContact OD2-CE1 3.29Å; D151-H212 PolarHBondContact OD2-CE1 3.26Å; D151-H212 VanDerWaalsContact OD2-CE1 3.29Å; D151-H212 IonicContact OD2-ND1 3.81Å; D151-D216 VanDerWaalsContact O-CB 3.28Å; D151-D216 WeakPolarHBondContact O-CB 3.36Å
152I92.3Very high90.5Very high11 Ų1134.1 Ų34.16%0.05622%0.218CC..  trans-57.8130.2174.9-61.7171.8000109.3F112 I115 H150 G154 L219F112-I152 HydrophobicContact CB-CB 4.39Å; F112-I152 HydrophobicContact CD1-CB 4.05Å; F112-I152 HydrophobicContact CD1-CD1 3.88Å; F112-I152 HydrophobicContact CD1-CG2 3.83Å; F112-I152 HydrophobicContact CD2-CG2 4.15Å; F112-I152 HydrophobicContact CE1-CB 4.49Å; F112-I152 HydrophobicContact CE1-CD1 4.3Å; F112-I152 HydrophobicContact CE1-CG2 3.77Å; F112-I152 HydrophobicContact CE2-CG2 4.09Å; F112-I152 HydrophobicContact CG-CB 4.08Å; F112-I152 HydrophobicContact CG-CG2 4.03Å; F112-I152 HydrophobicContact CZ-CG2 3.91Å; I115-I152 HydrophobicContact CD1-CD1 3.79Å; I115-I152 HydrophobicContact CG2-CD1 4.28Å; H150-I152 PolarHBondContact O-N 3.25Å; I152-G154 PolarHBondContact O-N 3.25Å; I152-L219 HydrophobicContact CD1-CD1 4.44Å; I152-L219 HydrophobicContact CG1-CB 4.49Å; I152-L219 HydrophobicContact CG1-CD1 4.25Å; I152-L219 HydrophobicContact CG2-CB 4.02Å
153S94.3Very high91.2Very high0 Ų030.7 Ų30.70%018%0.183CC..  trans-70.798.3-172.8-168.60000112.6D151 H155 S156 F157 H212 D216D151-S153 PolarHBondContact O-N 3.31Å; S153-H155 PolarHBondContact O-N 3.45Å; S153-S156 PolarHBondContact O-N 3.46Å; S153-S156 PolarHBondContact OG-N 3.35Å; S153-S156 PolarHBondContact OG-OG 2.92Å; S153-F157 PolarHBondContact O-N 3.13Å; S153-F157 VanDerWaalsContact O-N 3.14Å; S153-H212 PolarHBondContact OG-CD2 3.28Å; S153-H212 PolarHBondContact OG-NE2 3.17Å; S153-D216 PolarHBondContact N-O 3.4Å
154G93.4Very high91.9Very high26 Ų2628.2 Ų28.227%0.26816%0.163SC..Hα-helixtrans-60.5-30.2173.300000113.1I152 F157 I158I152-G154 PolarHBondContact O-N 3.25Å; G154-F157 WeakPolarHBondContact O-CB 3.27Å; G154-F157 PolarHBondContact O-N 2.94Å; G154-I158 VanDerWaalsContact O-CG2 3.29Å; G154-I158 WeakPolarHBondContact O-CG2 3.36Å; G154-I158 PolarHBondContact O-N 3.24Å
155H93.8Very high92.5Very high50 Ų5025.6 Ų25.623%0.23114%0.135CC..Hα-helixtrans-67.6-46.1174.5-65.5151.4000111.9V63 S153 F157 I158 L159 T207V63-H155 HydrophobicContact CG1-CB 4.17Å; V63-H155 WeakPolarHBondContact CG1-CD2 3.48Å; S153-H155 PolarHBondContact O-N 3.45Å; H155-F157 VanDerWaalsContact C-N 3.26Å; H155-F157 PolarHBondContact O-N 3.46Å; H155-I158 PolarHBondContact O-N 2.9Å; H155-L159 VanDerWaalsContact O-CB 3.3Å; H155-L159 WeakPolarHBondContact O-CB 3.45Å; H155-L159 WeakPolarHBondContact O-CG 3.3Å; H155-L159 PolarHBondContact O-N 2.93Å; H155-T207 HydrophobicContact CB-CG2 4.11Å
156S95.9Very high93.1Very high0 Ų023.4 Ų23.40%013%0.125CC..Hα-helixtrans-58.4-41.6174.6-66.80000111.4S153 C160 F204S153-S156 PolarHBondContact O-N 3.46Å; S153-S156 PolarHBondContact OG-N 3.35Å; S153-S156 PolarHBondContact OG-OG 2.92Å; S156-C160 WeakPolarHBondContact O-CB 3.35Å; S156-C160 PolarHBondContact O-N 3.37Å; S156-F204 VanDerWaalsContact O-CE2 3.31Å; S156-F204 WeakPolarHBondContact O-CE2 3.28Å
157F97.4Very high93.6Very high0 Ų018 Ų180%010%0.1CC..Hα-helixtrans-59.7-60173.9166.2-113.1000112.6W105 C108 T109 F112 S153 G154 H155 L159 C160 Y161 G220 C223W105-F157 AromaticContact CD1-CE1 3.88Å; C108-F157 HydrophobicContact CB-CD1 4.34Å; C108-F157 HydrophobicContact CB-CE1 3.64Å; C108-F157 HydrophobicContact CB-CE2 3.9Å; C108-F157 HydrophobicContact CB-CZ 3.4Å; C108-F157 VanDerWaalsContact CB-CZ 3.4Å; T109-F157 HydrophobicContact CG2-CD1 4.22Å; T109-F157 HydrophobicContact CG2-CE1 4.13Å; F112-F157 HydrophobicContact CE2-CB 3.69Å; F112-F157 AromaticContact CE2-CD1 3.95Å; F112-F157 HydrophobicContact CE2-CD1 3.95Å; F112-F157 AromaticContact CE2-CG 3.8Å; F112-F157 HydrophobicContact CE2-CG 3.8Å; F112-F157 HydrophobicContact CZ-CB 4.2Å; F112-F157 HydrophobicContact CZ-CD2 4.47Å; F112-F157 HydrophobicContact CZ-CG 4.18Å; S153-F157 PolarHBondContact O-N 3.13Å; S153-F157 VanDerWaalsContact O-N 3.14Å; G154-F157 WeakPolarHBondContact O-CB 3.27Å; G154-F157 PolarHBondContact O-N 2.94Å; H155-F157 VanDerWaalsContact C-N 3.26Å; H155-F157 PolarHBondContact O-N 3.46Å; F157-L159 PolarHBondContact O-N 3.3Å; F157-C160 PolarHBondContact O-N 3.37Å; F157-Y161 HydrophobicContact CE2-CD1 4.47Å; F157-Y161 HydrophobicContact CE2-CG 4.22Å; F157-Y161 HydrophobicContact CZ-CD1 4.14Å; F157-Y161 HydrophobicContact CZ-CG 4.34Å; F157-Y161 WeakPolarHBondContact O-CB 3.44Å; F157-Y161 PolarHBondContact O-N 2.94Å; F157-G220 VanDerWaalsContact CA-O 3.22Å; F157-G220 WeakPolarHBondContact CA-O 3.35Å; F157-G220 WeakPolarHBondContact CB-O 3.47Å; F157-C223 HydrophobicContact CD2-CB 3.86Å; F157-C223 HydrophobicContact CE2-CB 4.32Å
158I97.4Very high94.1Very high8 Ų817.5 Ų17.54%0.04110%0.099CC..Hα-helixtrans-69.8-34.9-168-167.150.7000113.2S66 W67 W105 G154 H155 S162S66-I158 WeakPolarHBondContact OG-CG1 3.45Å; S66-I158 WeakPolarHBondContact OG-CG2 3.43Å; W67-I158 HydrophobicContact CB-CD1 4.27Å; W67-I158 HydrophobicContact CB-CG1 4.5Å; W67-I158 HydrophobicContact CD2-CD1 4.2Å; W67-I158 HydrophobicContact CE3-CD1 3.5Å; W67-I158 VanDerWaalsContact CE3-CD1 3.5Å; W67-I158 HydrophobicContact CZ3-CD1 4.2Å; W105-I158 HydrophobicContact CG-CD1 4.13Å; G154-I158 VanDerWaalsContact O-CG2 3.29Å; G154-I158 WeakPolarHBondContact O-CG2 3.36Å; G154-I158 PolarHBondContact O-N 3.24Å; H155-I158 PolarHBondContact O-N 2.9Å; I158-S162 WeakPolarHBondContact O-CB 3.47Å; I158-S162 PolarHBondContact O-N 3.36Å; I158-S162 PolarHBondContact O-OG 3.24Å
159L97.6Very high94.7Very high0 Ų011.9 Ų11.90%07%0.072CC..Hα-helixtrans-70.5-42179.2-64.1180000111.1V63 H155 F157 S163 W200 M203 F204V63-L159 HydrophobicContact CG1-CD1 4.21Å; V63-L159 HydrophobicContact CG1-CD2 4.36Å; V63-L159 HydrophobicContact CG1-CG 4.49Å; H155-L159 VanDerWaalsContact O-CB 3.3Å; H155-L159 WeakPolarHBondContact O-CB 3.45Å; H155-L159 WeakPolarHBondContact O-CG 3.3Å; H155-L159 PolarHBondContact O-N 2.93Å; F157-L159 PolarHBondContact O-N 3.3Å; L159-S163 WeakPolarHBondContact O-CB 3.35Å; L159-S163 PolarHBondContact O-N 3.12Å; L159-S163 PolarHBondContact O-OG 3.49Å; L159-W200 HydrophobicContact CB-CB 4.4Å; L159-W200 HydrophobicContact CD2-CB 4.13Å; L159-W200 HydrophobicContact CD2-CD2 3.63Å; L159-W200 HydrophobicContact CD2-CE3 3.1Å; L159-W200 HydrophobicContact CD2-CG 4.1Å; L159-W200 HydrophobicContact CD2-CZ3 3.72Å; L159-M203 HydrophobicContact CD1-CB 3.85Å; L159-F204 HydrophobicContact CB-CB 4.16Å; L159-F204 HydrophobicContact CB-CD2 4.22Å; L159-F204 HydrophobicContact CD1-CB 4.14Å
160C98.4Very high95.3Very high0 Ų010.8 Ų10.80%06%0.06CC..Hα-helixtrans-64.4-52.8173.5179.50000110.8F30 S156 F157 S162 S163 L164 F204F30-C160 HydrophobicContact CD1-CB 3.79Å; F30-C160 HydrophobicContact CE1-CB 4.16Å; F30-C160 HydrophobicContact CG-CB 4.08Å; F30-C160 VanDerWaalsContact CG-SG 3.57Å; S156-C160 WeakPolarHBondContact O-CB 3.35Å; S156-C160 PolarHBondContact O-N 3.37Å; F157-C160 PolarHBondContact O-N 3.37Å; C160-S162 PolarHBondContact O-N 2.97Å; C160-S163 PolarHBondContact O-N 3.35Å; C160-L164 WeakPolarHBondContact O-CG 3.48Å; C160-L164 PolarHBondContact O-N 3Å; C160-L164 VanDerWaalsContact O-N 3.1Å; C160-F204 HydrophobicContact CB-CD2 4.37Å; C160-F204 HydrophobicContact CB-CE2 4.07Å
161Y98.4Very high95.6Very high0 Ų08.9 Ų8.90%05%0.052CC..Hα-helixtrans-60.1-49.7-176.5-173.2-124.1000112.1W67 A101 V104 F157 S163 L164 L165 G224 W228W67-Y161 HydrophobicContact CH2-CE1 4.27Å; W67-Y161 HydrophobicContact CZ3-CD1 4.22Å; W67-Y161 HydrophobicContact CZ3-CE1 4.29Å; A101-Y161 VanDerWaalsContact CA-OH 3.31Å; A101-Y161 WeakPolarHBondContact CA-OH 3.3Å; A101-Y161 HydrophobicContact CB-CE1 4.43Å; V104-Y161 HydrophobicContact CB-CE1 4.37Å; V104-Y161 HydrophobicContact CG1-CE1 4.22Å; V104-Y161 HydrophobicContact CG1-CE2 4.3Å; F157-Y161 HydrophobicContact CE2-CD1 4.47Å; F157-Y161 HydrophobicContact CE2-CG 4.22Å; F157-Y161 HydrophobicContact CZ-CD1 4.14Å; F157-Y161 HydrophobicContact CZ-CG 4.34Å; F157-Y161 WeakPolarHBondContact O-CB 3.44Å; F157-Y161 PolarHBondContact O-N 2.94Å; Y161-S163 VanDerWaalsContact C-N 3.32Å; Y161-S163 PolarHBondContact O-N 2.92Å; Y161-L164 PolarHBondContact O-N 2.96Å; Y161-L165 HydrophobicContact CD1-CD1 3.89Å; Y161-L165 HydrophobicContact CD2-CG 4.43Å; Y161-L165 HydrophobicContact CE1-CD1 3.56Å; Y161-L165 HydrophobicContact CE1-CG 4.31Å; Y161-L165 HydrophobicContact CE2-CD1 4.29Å; Y161-L165 HydrophobicContact CE2-CD2 4.13Å; Y161-L165 HydrophobicContact CE2-CG 4.15Å; Y161-L165 HydrophobicContact CG-CD1 4.4Å; Y161-L165 WeakPolarHBondContact O-CG 3.46Å; Y161-L165 PolarHBondContact O-N 3.44Å; Y161-G224 WeakPolarHBondContact CD2-O 3.48Å; Y161-W228 HydrophobicContact CD2-CB 4.41Å; Y161-W228 HydrophobicContact CE2-CB 4.48Å
162S98.1Very high95.8Very high0 Ų06 Ų60%04%0.038CC..Hα-helixtrans-59.4-41.7178.3-58.80000112.3T70 I158 C160 L164 L165 I166T70-S162 WeakPolarHBondContact OG1-CB 3.31Å; T70-S162 PolarHBondContact OG1-OG 3.39Å; I158-S162 WeakPolarHBondContact O-CB 3.47Å; I158-S162 PolarHBondContact O-N 3.36Å; I158-S162 PolarHBondContact O-OG 3.24Å; C160-S162 PolarHBondContact O-N 2.97Å; S162-L164 PolarHBondContact O-N 3.46Å; S162-L165 PolarHBondContact O-N 3.12Å; S162-I166 VanDerWaalsContact O-CG1 3.25Å; S162-I166 WeakPolarHBondContact O-CG1 3.48Å; S162-I166 PolarHBondContact O-N 3.06Å
163S98.3Very high95.7Very high0 Ų06.5 Ų6.50%04%0.04CC..Hα-helixtrans-63.3-42.1179.3-60.90000112.4F30 L159 C160 Y161 M167 W200F30-S163 VanDerWaalsContact CZ-CB 3.47Å; L159-S163 WeakPolarHBondContact O-CB 3.35Å; L159-S163 PolarHBondContact O-N 3.12Å; L159-S163 PolarHBondContact O-OG 3.49Å; C160-S163 PolarHBondContact O-N 3.35Å; Y161-S163 VanDerWaalsContact C-N 3.32Å; Y161-S163 PolarHBondContact O-N 2.92Å; S163-M167 WeakPolarHBondContact O-CB 3.22Å; S163-M167 PolarHBondContact O-N 2.93Å; S163-W200 VanDerWaalsContact OG-CB 3.26Å; S163-W200 WeakPolarHBondContact OG-CB 3.39Å
164L98.1Very high95.3Very high0 Ų08.4 Ų8.40%05%0.052CC..Hα-helixtrans-69.6-39.5179-66.2173.7000112.1F26 P27 F30 C160 Y161 S162 M167 E168 L225 W228F26-L164 HydrophobicContact CD1-CD2 3.88Å; F26-L164 HydrophobicContact CE1-CD2 4.2Å; P27-L164 HydrophobicContact CB-CD2 4.03Å; P27-L164 HydrophobicContact CG-CD2 3.85Å; F30-L164 HydrophobicContact CE2-CD2 4.36Å; F30-L164 HydrophobicContact CE2-CG 4.45Å; C160-L164 WeakPolarHBondContact O-CG 3.48Å; C160-L164 PolarHBondContact O-N 3Å; C160-L164 VanDerWaalsContact O-N 3.1Å; Y161-L164 PolarHBondContact O-N 2.96Å; S162-L164 PolarHBondContact O-N 3.46Å; L164-M167 HydrophobicContact CD2-CE 3.93Å; L164-M167 PolarHBondContact O-N 2.84Å; L164-E168 WeakPolarHBondContact O-CG 3.49Å; L164-E168 PolarHBondContact O-N 3.24Å; L164-E168 VanDerWaalsContact O-N 3.11Å; L164-L225 HydrophobicContact CD1-CD2 3.79Å; L164-W228 HydrophobicContact CB-CB 4.02Å; L164-W228 HydrophobicContact CB-CD2 4.29Å; L164-W228 HydrophobicContact CB-CG 3.69Å; L164-W228 HydrophobicContact CD1-CB 3.83Å; L164-W228 HydrophobicContact CD1-CD2 4Å; L164-W228 HydrophobicContact CD1-CE3 4.2Å; L164-W228 HydrophobicContact CD1-CG 3.85Å; L164-W228 HydrophobicContact CG-CG 4.3Å
165L97.2Very high94.9Very high1 Ų19.1 Ų9.11%0.0055%0.051CC..Hα-helixtrans-59.9-49.3173.2-71.1177.4000111.7W67 A101 Y161 S162 M167 E168 E169 Y232W67-L165 HydrophobicContact CH2-CD1 3.68Å; W67-L165 HydrophobicContact CZ3-CD1 3.75Å; A101-L165 HydrophobicContact CB-CD1 3.73Å; A101-L165 HydrophobicContact CB-CD2 4.09Å; Y161-L165 HydrophobicContact CD1-CD1 3.89Å; Y161-L165 HydrophobicContact CD2-CG 4.43Å; Y161-L165 HydrophobicContact CE1-CD1 3.56Å; Y161-L165 HydrophobicContact CE1-CG 4.31Å; Y161-L165 HydrophobicContact CE2-CD1 4.29Å; Y161-L165 HydrophobicContact CE2-CD2 4.13Å; Y161-L165 HydrophobicContact CE2-CG 4.15Å; Y161-L165 HydrophobicContact CG-CD1 4.4Å; Y161-L165 WeakPolarHBondContact O-CG 3.46Å; Y161-L165 PolarHBondContact O-N 3.44Å; S162-L165 PolarHBondContact O-N 3.12Å; L165-M167 VanDerWaalsContact C-N 3.34Å; L165-M167 PolarHBondContact O-N 2.93Å; L165-E168 PolarHBondContact O-N 3.38Å; L165-E168 VanDerWaalsContact O-N 3.15Å; L165-E169 PolarHBondContact O-N 3.47Å; L165-Y232 HydrophobicContact CD2-CD2 4.22Å; L165-Y232 HydrophobicContact CD2-CE2 3.31Å
166I97.6Very high94.6Very high2 Ų28.5 Ų8.51%0.015%0.049CC..Hα-helixtrans-61.1-45.2179.6-67.3167.6000110.1T70 S162 E168 E169 T170 L193 I196 V197T70-I166 HydrophobicContact CG2-CD1 4.17Å; T70-I166 HydrophobicContact CG2-CG1 4.25Å; S162-I166 VanDerWaalsContact O-CG1 3.25Å; S162-I166 WeakPolarHBondContact O-CG1 3.48Å; S162-I166 PolarHBondContact O-N 3.06Å; I166-E168 VanDerWaalsContact C-N 3.25Å; I166-E168 PolarHBondContact O-N 3.46Å; I166-E169 PolarHBondContact O-N 2.72Å; I166-T170 HydrophobicContact CG2-CG2 3.82Å; I166-T170 VanDerWaalsContact O-CB 3.28Å; I166-T170 WeakPolarHBondContact O-CB 3.49Å; I166-T170 VanDerWaalsContact O-CG2 3.23Å; I166-T170 WeakPolarHBondContact O-CG2 3.4Å; I166-T170 PolarHBondContact O-N 2.89Å; I166-T170 PolarHBondContact O-OG1 3.01Å; I166-L193 HydrophobicContact CD1-CD2 4.08Å; I166-L193 HydrophobicContact CG1-CD2 4.08Å; I166-L193 HydrophobicContact CG2-CB 3.91Å; I166-L193 HydrophobicContact CG2-CD2 3.99Å; I166-L193 HydrophobicContact CG2-CG 4.44Å; I166-I196 HydrophobicContact CD1-CG2 3.78Å; I166-V197 HydrophobicContact CB-CG2 3.73Å; I166-V197 HydrophobicContact CD1-CG2 3.81Å; I166-V197 HydrophobicContact CG1-CG2 4.39Å; I166-V197 HydrophobicContact CG2-CG2 3.51Å
167M96.3Very high93.9Very high5 Ų518.2 Ų18.23%0.0259%0.092CC..Hα-helixtrans-54.9-41.7175.8175.7-167.861.400111.9W17 R23 F26 S163 L164 L165 W228W17-M167 HydrophobicContact CE3-CG 3.88Å; W17-M167 HydrophobicContact CE3-SD 4.34Å; W17-M167 HydrophobicContact CH2-CB 4.44Å; W17-M167 HydrophobicContact CH2-CG 4.22Å; W17-M167 HydrophobicContact CZ3-CB 4.25Å; W17-M167 HydrophobicContact CZ3-CG 3.56Å; W17-M167 HydrophobicContact CZ3-SD 3.75Å; R23-M167 HydrophobicContact CG-SD 4.41Å; F26-M167 HydrophobicContact CB-SD 3.98Å; F26-M167 HydrophobicContact CD1-CB 4.35Å; F26-M167 HydrophobicContact CD1-CE 4.2Å; F26-M167 HydrophobicContact CD1-CG 4.36Å; F26-M167 HydrophobicContact CD1-SD 3.46Å; F26-M167 WeakPolarHBondContact CD1-SD 3.43Å; F26-M167 HydrophobicContact CE1-CB 4.27Å; F26-M167 HydrophobicContact CE1-SD 4.31Å; F26-M167 HydrophobicContact CG-SD 4.06Å; S163-M167 WeakPolarHBondContact O-CB 3.22Å; S163-M167 PolarHBondContact O-N 2.93Å; L164-M167 HydrophobicContact CD2-CE 3.93Å; L164-M167 PolarHBondContact O-N 2.84Å; L165-M167 VanDerWaalsContact C-N 3.34Å; L165-M167 PolarHBondContact O-N 2.93Å; M167-W228 HydrophobicContact CE-CZ2 4.15Å
168E95.5Very high93.3Very high0 Ų019.3 Ų19.30%010%0.098CC..Hα-helixtrans-73.3-52.4-178.7-64.6-69.7-15800112.4R23 L164 L165 I166 T170 S171 W228 Y232 R233 P245 R248R23-E168 IonicContact NH2-OE2 3.87Å; R23-E168 PolarHBondContact NH2-OE2 2.91Å; L164-E168 WeakPolarHBondContact O-CG 3.49Å; L164-E168 PolarHBondContact O-N 3.24Å; L164-E168 VanDerWaalsContact O-N 3.11Å; L165-E168 PolarHBondContact O-N 3.38Å; L165-E168 VanDerWaalsContact O-N 3.15Å; I166-E168 VanDerWaalsContact C-N 3.25Å; I166-E168 PolarHBondContact O-N 3.46Å; E168-T170 VanDerWaalsContact C-N 3.34Å; E168-T170 PolarHBondContact O-N 2.69Å; E168-S171 VanDerWaalsContact O-CB 3.24Å; E168-S171 WeakPolarHBondContact O-CB 3.03Å; E168-S171 PolarHBondContact O-N 3.36Å; E168-S171 PolarHBondContact O-OG 3.38Å; E168-W228 VanDerWaalsContact CG-NE1 3.29Å; E168-W228 WeakPolarHBondContact OE1-CZ2 3.21Å; E168-W228 PolarHBondContact OE1-NE1 3.14Å; E168-W228 VanDerWaalsContact OE1-NE1 3.1Å; E168-Y232 HydrophobicContact CB-CD1 3.44Å; E168-Y232 VanDerWaalsContact CB-CD1 3.44Å; E168-Y232 HydrophobicContact CB-CE1 3.39Å; E168-Y232 HydrophobicContact CB-CG 4.08Å; E168-Y232 HydrophobicContact CG-CD1 3.62Å; E168-Y232 HydrophobicContact CG-CD2 4.37Å; E168-Y232 HydrophobicContact CG-CE1 4.06Å; E168-Y232 HydrophobicContact CG-CG 3.78Å; E168-R233 IonicContact OE1-CZ 3.78Å; E168-R233 IonicContact OE1-NE 3.62Å; E168-R233 IonicContact OE1-NH2 3.67Å; E168-P245 WeakPolarHBondContact O-CG 3.2Å; E168-R248 IonicContact OE1-CZ 3.46Å; E168-R248 IonicContact OE1-NH1 3.57Å; E168-R248 IonicContact OE1-NH2 2.66Å; E168-R248 PolarHBondContact OE1-NH2 3.2Å; E168-R248 IonicContact OE2-CZ 3.24Å; E168-R248 VanDerWaalsContact OE2-CZ 3.24Å; E168-R248 IonicContact OE2-NE 3.81Å; E168-R248 IonicContact OE2-NH1 3.85Å; E168-R248 IonicContact OE2-NH2 2.64Å; E168-R248 PolarHBondContact OE2-NH2 3.29Å
169E94.8Very high92.7Very high5 Ų524.8 Ų24.82%0.02313%0.132CC..Hα-helixtrans-66.3-35.2-176.1-70.1-55.8142.900112.4L74 L78 R94 L165 I166 S171 Y232L74-E169 HydrophobicContact CD1-CB 3.84Å; L74-E169 HydrophobicContact CD2-CG 4.37Å; L78-E169 HydrophobicContact CD2-CB 4.13Å; L78-E169 HydrophobicContact CD2-CG 4.32Å; L78-E169 WeakPolarHBondContact CD2-OE2 3.15Å; R94-E169 WeakPolarHBondContact CD-OE2 3.46Å; R94-E169 IonicContact NH1-OE1 2.79Å; R94-E169 PolarHBondContact NH1-OE1 3.42Å; R94-E169 IonicContact NH1-OE2 2.85Å; R94-E169 PolarHBondContact NH1-OE2 3.48Å; L165-E169 PolarHBondContact O-N 3.47Å; I166-E169 PolarHBondContact O-N 2.72Å; E169-S171 PolarHBondContact O-N 3.41Å; E169-Y232 WeakPolarHBondContact CG-OH 3.48Å; E169-Y232 VanDerWaalsContact OE1-CE1 3.23Å; E169-Y232 WeakPolarHBondContact OE1-CE1 3.41Å; E169-Y232 VanDerWaalsContact OE1-CZ 3.29Å; E169-Y232 PolarHBondContact OE1-OH 3.48Å
170T94.7Very high92.2Very high4 Ų427.5 Ų27.53%0.02516%0.16CC..G310 helixtrans-73.1-9.8178.560.60000114.3F77 I166 E168 A172 M173 Y190 L193F77-T170 HydrophobicContact CD1-CG2 4.46Å; F77-T170 HydrophobicContact CE1-CG2 4.1Å; F77-T170 HydrophobicContact CZ-CG2 4.15Å; I166-T170 HydrophobicContact CG2-CG2 3.82Å; I166-T170 VanDerWaalsContact O-CB 3.28Å; I166-T170 WeakPolarHBondContact O-CB 3.49Å; I166-T170 VanDerWaalsContact O-CG2 3.23Å; I166-T170 WeakPolarHBondContact O-CG2 3.4Å; I166-T170 PolarHBondContact O-N 2.89Å; I166-T170 PolarHBondContact O-OG1 3.01Å; E168-T170 VanDerWaalsContact C-N 3.34Å; E168-T170 PolarHBondContact O-N 2.69Å; T170-A172 PolarHBondContact O-N 3.38Å; T170-M173 PolarHBondContact O-N 3.36Å; T170-Y190 HydrophobicContact CG2-CD2 4.21Å; T170-Y190 HydrophobicContact CG2-CE2 4.45Å; T170-L193 HydrophobicContact CG2-CB 4.23Å; T170-L193 HydrophobicContact CG2-CD1 3.65Å; T170-L193 HydrophobicContact CG2-CG 4.49Å
171S92.1Very high91.7Very high7 Ų733.5 Ų33.55%0.04919%0.191CC..G310 helixtrans-60.3-18.2176.771.50000113.7E168 E169 M173 T174 Q247E168-S171 VanDerWaalsContact O-CB 3.24Å; E168-S171 WeakPolarHBondContact O-CB 3.03Å; E168-S171 PolarHBondContact O-N 3.36Å; E168-S171 PolarHBondContact O-OG 3.38Å; E169-S171 PolarHBondContact O-N 3.41Å; S171-M173 PolarHBondContact O-N 3.27Å; S171-T174 PolarHBondContact O-N 3.2Å; S171-T174 PolarHBondContact O-OG1 3.38Å; S171-Q247 PolarHBondContact O-OE1 3.37Å
172A89.4Confident91.3Very high8 Ų837.2 Ų37.27%0.06621%0.209CC..G310 helixtrans-57.3-29.8171.100000113.5T170 T174 V175 L176T170-A172 PolarHBondContact O-N 3.38Å; A172-T174 PolarHBondContact O-N 3.26Å; A172-V175 WeakPolarHBondContact O-CG2 3.01Å; A172-V175 PolarHBondContact O-N 3.36Å; A172-L176 HydrophobicContact CB-CD1 3.89Å; A172-L176 HydrophobicContact CB-CG 4.4Å; A172-L176 VanDerWaalsContact O-CG 3.25Å; A172-L176 WeakPolarHBondContact O-CG 3.49Å; A172-L176 PolarHBondContact O-N 2.89Å; A172-L176 VanDerWaalsContact O-N 3.16Å
173M90.4Very high90.9Very high20 Ų2042.1 Ų42.110%0.09923%0.227CC..G310 helixtrans-60.9-21.2179.8-73.1-43.6-79.200113.9V14 F77 T170 S171 V175 L176 L186 Y190V14-M173 HydrophobicContact CG2-CB 4.13Å; F77-M173 HydrophobicContact CE2-CG 3.74Å; F77-M173 HydrophobicContact CE2-SD 3.66Å; F77-M173 HydrophobicContact CZ-CG 3.86Å; F77-M173 HydrophobicContact CZ-SD 3.99Å; T170-M173 PolarHBondContact O-N 3.36Å; S171-M173 PolarHBondContact O-N 3.27Å; M173-V175 PolarHBondContact O-N 3.41Å; M173-L176 HydrophobicContact SD-CD1 3.63Å; M173-L186 HydrophobicContact CE-CB 3.86Å; M173-L186 HydrophobicContact SD-CB 4.34Å; M173-L186 HydrophobicContact SD-CD2 4.34Å; M173-Y190 HydrophobicContact CB-CD2 4.2Å; M173-Y190 HydrophobicContact CB-CE2 4.08Å; M173-Y190 HydrophobicContact CG-CD2 3.51Å; M173-Y190 HydrophobicContact CG-CE2 3.91Å; M173-Y190 HydrophobicContact CG-CG 3.86Å
174T87.5Confident90.6Very high40 Ų4043.9 Ų43.925%0.24524%0.238CC..G310 helixtrans-68.2-19.4177.461.80000113.9V14 S171 A172 Q247V14-T174 HydrophobicContact CG1-CG2 4.02Å; S171-T174 PolarHBondContact O-N 3.2Å; S171-T174 PolarHBondContact O-OG1 3.38Å; A172-T174 PolarHBondContact O-N 3.26Å; T174-Q247 VanDerWaalsContact OG1-CG 3.24Å; T174-Q247 WeakPolarHBondContact OG1-CG 3.01Å; T174-Q247 PolarHBondContact OG1-NE2 3.26Å; T174-Q247 PolarHBondContact OG1-OE1 2.91Å
175V84.8Confident90.4Very high42 Ų4246.6 Ų46.626%0.25525%0.252SS..THydrogen-bonded Turntrans-124.6-13.8-172.9-67.20000113.4A172 M173 K177 L246 Q247A172-V175 WeakPolarHBondContact O-CG2 3.01Å; A172-V175 PolarHBondContact O-N 3.36Å; M173-V175 PolarHBondContact O-N 3.41Å; V175-K177 PolarHBondContact O-N 3.06Å; V175-L246 HydrophobicContact CG2-CB 4.05Å; V175-L246 HydrophobicContact CG2-CD2 3.79Å; V175-L246 HydrophobicContact CG2-CG 3.95Å; V175-Q247 HydrophobicContact CG1-CB 4.31Å; V175-Q247 HydrophobicContact CG1-CG 4.21Å; V175-Q247 HydrophobicContact CG2-CB 4.44Å
176L85.9Confident90.2Very high36 Ų3646.5 Ų46.519%0.18825%0.252CS..  trans-69.9129.4-177.5-75.1166.1000111.3S81 A172 M173 L246S81-L176 VanDerWaalsContact O-CD2 3.27Å; S81-L176 WeakPolarHBondContact O-CD2 3.2Å; A172-L176 HydrophobicContact CB-CD1 3.89Å; A172-L176 HydrophobicContact CB-CG 4.4Å; A172-L176 VanDerWaalsContact O-CG 3.25Å; A172-L176 WeakPolarHBondContact O-CG 3.49Å; A172-L176 PolarHBondContact O-N 2.89Å; A172-L176 VanDerWaalsContact O-N 3.16Å; M173-L176 HydrophobicContact SD-CD1 3.63Å; L176-L246 HydrophobicContact CD2-CD2 4.49Å
177K82.3Confident90.1Very high205 Ų20547 Ų4789%0.89125%0.254SS*.  trans-114.3101.2172.6-66.1-177.6-179.8-178.10108.1V175V175-K177 PolarHBondContact O-N 3.06Å
178T83.9Confident90.1Very high23 Ų2350.3 Ų50.314%0.14127%0.272CS..  trans-127152.8-179.9560000110.7R183 L186T178-R183 WeakPolarHBondContact OG1-CA 3.44Å; T178-L186 HydrophobicContact CG2-CD1 3.79Å
179T85.1Confident90.1Very high123 Ų12351.6 Ų51.676%0.75528%0.279SS*.  trans-127.1164.7-179.257.50000111.4
180G88.2Confident90.2Very high57 Ų5751.5 Ų51.559%0.58828%0.278SS*.Hα-helixtrans59.2-140.9174.500000114.1H182 R183 T184G180-H182 VanDerWaalsContact C-N 3.32Å; G180-H182 PolarHBondContact O-N 2.95Å; G180-R183 PolarHBondContact O-N 2.72Å; G180-T184 PolarHBondContact O-N 3.38Å; G180-T184 PolarHBondContact O-OG1 2.79Å
181L87.9Confident90.4Very high125 Ų12552.8 Ų52.865%0.65429%0.286SS*.Hα-helixtrans-60.4-37.4-176-178.962.4000113.1R183 T184 L185L181-R183 VanDerWaalsContact C-N 3.31Å; L181-R183 PolarHBondContact O-N 2.8Å; L181-T184 PolarHBondContact O-N 3.09Å; L181-L185 HydrophobicContact CD1-CD1 4.39Å; L181-L185 HydrophobicContact CD1-CG 4.21Å; L181-L185 HydrophobicContact CG-CD1 4.09Å; L181-L185 HydrophobicContact CG-CG 4.34Å; L181-L185 WeakPolarHBondContact O-CG 3.04Å; L181-L185 PolarHBondContact O-N 3.39Å
182H88.4Confident90.6Very high78 Ų7853.9 Ų53.936%0.36130%0.295SS..Hα-helixtrans-58.8-42.9178.6-87.9-96000112G180 L186G180-H182 VanDerWaalsContact C-N 3.32Å; G180-H182 PolarHBondContact O-N 2.95Å; H182-L186 WeakPolarHBondContact O-CB 3.31Å; H182-L186 WeakPolarHBondContact O-CG 3.16Å; H182-L186 PolarHBondContact O-N 3.27Å
183R90.3Very high91.1Very high103 Ų10353.5 Ų53.539%0.38929%0.292SS..Hα-helixtrans-61.9-46.8175.8-179.6177.9168.91581.6111.1D7 T178 G180 L181 L185 L186 N187D7-R183 IonicContact OD1-CZ 2.94Å; D7-R183 IonicContact OD1-NE 3.04Å; D7-R183 PolarHBondContact OD1-NE 2.94Å; D7-R183 IonicContact OD1-NH2 3.78Å; D7-R183 PolarHBondContact OD1-NH2 3.46Å; D7-R183 IonicContact OD2-NH2 3.45Å; T178-R183 WeakPolarHBondContact OG1-CA 3.44Å; G180-R183 PolarHBondContact O-N 2.72Å; L181-R183 VanDerWaalsContact C-N 3.31Å; L181-R183 PolarHBondContact O-N 2.8Å; R183-L185 PolarHBondContact O-N 3.06Å; R183-L186 PolarHBondContact O-N 2.91Å; R183-N187 WeakPolarHBondContact O-CB 3.3Å; R183-N187 VanDerWaalsContact O-CG 3.22Å; R183-N187 PolarHBondContact O-N 3.29Å; R183-N187 PolarHBondContact O-OD1 3.34Å
184T92Very high91.4Very high38 Ų3853.4 Ų53.423%0.23329%0.292CS..Hα-helixtrans-59.5-46.3-179.7-57.30000112M3 G180 L181 N187 L188M3-T184 HydrophobicContact CE-CG2 3.62Å; M3-T184 HydrophobicContact SD-CG2 3.55Å; M3-T184 VanDerWaalsContact SD-CG2 3.55Å; G180-T184 PolarHBondContact O-N 3.38Å; G180-T184 PolarHBondContact O-OG1 2.79Å; L181-T184 PolarHBondContact O-N 3.09Å; T184-N187 PolarHBondContact O-N 2.84Å; T184-L188 HydrophobicContact CG2-CD1 4.24Å; T184-L188 WeakPolarHBondContact O-CG 3.33Å; T184-L188 PolarHBondContact O-N 2.82Å
185L93.3Very high91.9Very high56 Ų5656.7 Ų56.729%0.29331%0.307SS..Hα-helixtrans-64.5-44.3179.1-67.7175.9000111.9F80 L181 R183 N187 L188 L189F80-L185 HydrophobicContact CD1-CD1 4.43Å; F80-L185 HydrophobicContact CE1-CD1 3.81Å; F80-L185 HydrophobicContact CZ-CD1 3.88Å; L181-L185 HydrophobicContact CD1-CD1 4.39Å; L181-L185 HydrophobicContact CD1-CG 4.21Å; L181-L185 HydrophobicContact CG-CD1 4.09Å; L181-L185 HydrophobicContact CG-CG 4.34Å; L181-L185 WeakPolarHBondContact O-CG 3.04Å; L181-L185 PolarHBondContact O-N 3.39Å; R183-L185 PolarHBondContact O-N 3.06Å; L185-N187 VanDerWaalsContact C-N 3.34Å; L185-N187 PolarHBondContact O-N 3.37Å; L185-L188 PolarHBondContact O-N 2.71Å; L185-L189 WeakPolarHBondContact O-CB 3.44Å; L185-L189 WeakPolarHBondContact O-CG 3.33Å; L185-L189 PolarHBondContact O-N 3.5Å
186L93.5Very high92.5Very high0 Ų055.1 Ų55.10%030%0.298CS..Hα-helixtrans-60.9-42.8175.7-80.7171.4000112.3F77 F80 M173 T178 H182 R183 L189 Y190F77-L186 HydrophobicContact CD2-CD2 4.03Å; F77-L186 HydrophobicContact CE2-CD2 4.12Å; F80-L186 HydrophobicContact CB-CD2 3.65Å; F80-L186 HydrophobicContact CB-CG 3.93Å; M173-L186 HydrophobicContact CE-CB 3.86Å; M173-L186 HydrophobicContact SD-CB 4.34Å; M173-L186 HydrophobicContact SD-CD2 4.34Å; T178-L186 HydrophobicContact CG2-CD1 3.79Å; H182-L186 WeakPolarHBondContact O-CB 3.31Å; H182-L186 WeakPolarHBondContact O-CG 3.16Å; H182-L186 PolarHBondContact O-N 3.27Å; R183-L186 PolarHBondContact O-N 2.91Å; L186-L189 PolarHBondContact O-N 3.44Å; L186-Y190 VanDerWaalsContact O-CB 3.23Å; L186-Y190 WeakPolarHBondContact O-CB 3.45Å; L186-Y190 PolarHBondContact O-N 2.84Å
187N95.3Very high93Very high11 Ų1153.8 Ų53.86%0.05929%0.291CS..Hα-helixtrans-63.1-44.8178.8-77.72.3000111.7I6 D7 V10 R183 T184 L185 Y190 V191I6-N187 HydrophobicContact CG2-CB 3.78Å; D7-N187 PolarHBondContact OD1-ND2 3.07Å; V10-N187 HydrophobicContact CG2-CB 3.81Å; R183-N187 WeakPolarHBondContact O-CB 3.3Å; R183-N187 VanDerWaalsContact O-CG 3.22Å; R183-N187 PolarHBondContact O-N 3.29Å; R183-N187 PolarHBondContact O-OD1 3.34Å; T184-N187 PolarHBondContact O-N 2.84Å; L185-N187 VanDerWaalsContact C-N 3.34Å; L185-N187 PolarHBondContact O-N 3.37Å; N187-Y190 PolarHBondContact O-N 3.43Å; N187-V191 WeakPolarHBondContact O-CG2 3.49Å; N187-V191 PolarHBondContact O-N 2.92Å
188L96.2Very high93.8Very high75 Ų7546.8 Ų46.839%0.39327%0.272SS..Hα-helixtrans-62-46.1175.7-72172000111.9I6 T184 L185 V191 A192I6-L188 HydrophobicContact CD1-CD2 3.5Å; I6-L188 HydrophobicContact CD1-CG 4.39Å; T184-L188 HydrophobicContact CG2-CD1 4.24Å; T184-L188 WeakPolarHBondContact O-CG 3.33Å; T184-L188 PolarHBondContact O-N 2.82Å; L185-L188 PolarHBondContact O-N 2.71Å; L188-V191 PolarHBondContact O-N 2.94Å; L188-A192 WeakPolarHBondContact O-CB 3.41Å; L188-A192 PolarHBondContact O-N 3.06Å
189L96.8Very high94.3Very high28 Ų2847.7 Ų47.715%0.14728%0.277CS..Hα-helixtrans-63.3-42.1177.4-74.1167.7000111.8P76 F77 F80 L185 L186 A192 L193P76-L189 HydrophobicContact CB-CD1 4.14Å; P76-L189 HydrophobicContact CB-CD2 4.43Å; P76-L189 HydrophobicContact CG-CD1 4.49Å; P76-L189 HydrophobicContact CG-CD2 3.97Å; F77-L189 HydrophobicContact CB-CB 4.38Å; F77-L189 HydrophobicContact CB-CD1 4.43Å; F77-L189 HydrophobicContact CD2-CB 4.3Å; F80-L189 HydrophobicContact CD2-CD1 3.7Å; F80-L189 HydrophobicContact CE2-CD1 4.27Å; L185-L189 WeakPolarHBondContact O-CB 3.44Å; L185-L189 WeakPolarHBondContact O-CG 3.33Å; L185-L189 PolarHBondContact O-N 3.5Å; L186-L189 PolarHBondContact O-N 3.44Å; L189-A192 PolarHBondContact O-N 2.87Å; L189-L193 WeakPolarHBondContact O-CB 2.69Å; L189-L193 VanDerWaalsContact O-CG 3.29Å; L189-L193 WeakPolarHBondContact O-CG 3.4Å; L189-L193 PolarHBondContact O-N 3.43Å
190Y96.9Very high94.9Very high3 Ų341.9 Ų41.91%0.01224%0.241CC..Hα-helixtrans-64.6-42.4178.5-178.3-109.5000111.8V10 L13 V14 F77 T170 M173 L186 N187 L193 N194V10-Y190 HydrophobicContact CB-CD1 4.46Å; V10-Y190 HydrophobicContact CG1-CD1 3.93Å; V10-Y190 HydrophobicContact CG1-CE1 4.21Å; V10-Y190 HydrophobicContact CG2-CD1 4.22Å; L13-Y190 HydrophobicContact CB-CE1 3.68Å; L13-Y190 HydrophobicContact CD1-CE1 4.31Å; V14-Y190 HydrophobicContact CG2-CE1 3.71Å; V14-Y190 PolarHBondContact N-OH 3.29Å; F77-Y190 HydrophobicContact CE2-CD2 4.42Å; T170-Y190 HydrophobicContact CG2-CD2 4.21Å; T170-Y190 HydrophobicContact CG2-CE2 4.45Å; M173-Y190 HydrophobicContact CB-CD2 4.2Å; M173-Y190 HydrophobicContact CB-CE2 4.08Å; M173-Y190 HydrophobicContact CG-CD2 3.51Å; M173-Y190 HydrophobicContact CG-CE2 3.91Å; M173-Y190 HydrophobicContact CG-CG 3.86Å; L186-Y190 VanDerWaalsContact O-CB 3.23Å; L186-Y190 WeakPolarHBondContact O-CB 3.45Å; L186-Y190 PolarHBondContact O-N 2.84Å; N187-Y190 PolarHBondContact O-N 3.43Å; Y190-L193 PolarHBondContact O-N 3.17Å; Y190-N194 WeakPolarHBondContact CE2-ND2 3.33Å; Y190-N194 PolarHBondContact O-N 3.42Å; Y190-N194 PolarHBondContact O-ND2 2.93Å
191V97.8Very high95.4Very high30 Ų3040.6 Ų40.618%0.18222%0.222CC..Hα-helixtrans-61.7-46.9172.8171.50000110.5I6 I9 V10 L13 N187 L188 L193 N194 L195I6-V191 HydrophobicContact CG2-CG2 4.44Å; I9-V191 HydrophobicContact CG2-CG2 3.99Å; V10-V191 HydrophobicContact CG2-CG2 3.78Å; L13-V191 HydrophobicContact CD1-CG2 4.4Å; N187-V191 WeakPolarHBondContact O-CG2 3.49Å; N187-V191 PolarHBondContact O-N 2.92Å; L188-V191 PolarHBondContact O-N 2.94Å; V191-L193 VanDerWaalsContact C-N 3.33Å; V191-L193 PolarHBondContact O-N 3.42Å; V191-N194 PolarHBondContact O-N 3.09Å; V191-N194 VanDerWaalsContact O-N 3.16Å; V191-L195 HydrophobicContact CG1-CD1 4.04Å; V191-L195 HydrophobicContact CG1-CG 4.39Å; V191-L195 WeakPolarHBondContact O-CG 3.08Å; V191-L195 PolarHBondContact O-N 2.92Å
192A97.8Very high95.8Very high30 Ų3041.2 Ų41.225%0.24822%0.216CC..Hα-helixtrans-60-41.2177.800000112.7L73 L188 L189 L195 I196L73-A192 HydrophobicContact CD1-CB 4.32Å; L73-A192 HydrophobicContact CD2-CB 4.08Å; L188-A192 WeakPolarHBondContact O-CB 3.41Å; L188-A192 PolarHBondContact O-N 3.06Å; L189-A192 PolarHBondContact O-N 2.87Å; A192-L195 PolarHBondContact O-N 3Å; A192-I196 PolarHBondContact O-N 3.1Å
193L98.1Very high96.1Very high0 Ų037.6 Ų37.60%020%0.199CC..Hα-helixtrans-64.6-37.1175.7-77.3167.6000112.3L73 L74 F77 I166 T170 L189 Y190 V191 I196 V197L73-L193 HydrophobicContact CB-CD2 3.53Å; L73-L193 HydrophobicContact CB-CG 4.05Å; L73-L193 HydrophobicContact CD1-CD2 4.49Å; L74-L193 HydrophobicContact CB-CD2 4.35Å; L74-L193 HydrophobicContact CD1-CD1 4.28Å; L74-L193 HydrophobicContact CD1-CD2 4.4Å; F77-L193 HydrophobicContact CB-CD1 3.72Å; F77-L193 HydrophobicContact CD1-CD1 4.2Å; F77-L193 HydrophobicContact CD2-CD1 3.89Å; F77-L193 HydrophobicContact CG-CD1 3.65Å; I166-L193 HydrophobicContact CD1-CD2 4.08Å; I166-L193 HydrophobicContact CG1-CD2 4.08Å; I166-L193 HydrophobicContact CG2-CB 3.91Å; I166-L193 HydrophobicContact CG2-CD2 3.99Å; I166-L193 HydrophobicContact CG2-CG 4.44Å; T170-L193 HydrophobicContact CG2-CB 4.23Å; T170-L193 HydrophobicContact CG2-CD1 3.65Å; T170-L193 HydrophobicContact CG2-CG 4.49Å; L189-L193 WeakPolarHBondContact O-CB 2.69Å; L189-L193 VanDerWaalsContact O-CG 3.29Å; L189-L193 WeakPolarHBondContact O-CG 3.4Å; L189-L193 PolarHBondContact O-N 3.43Å; Y190-L193 PolarHBondContact O-N 3.17Å; V191-L193 VanDerWaalsContact C-N 3.33Å; V191-L193 PolarHBondContact O-N 3.42Å; L193-I196 WeakPolarHBondContact O-CG2 3.49Å; L193-V197 VanDerWaalsContact O-CG2 3.23Å; L193-V197 WeakPolarHBondContact O-CG2 3.43Å; L193-V197 PolarHBondContact O-N 3.34Å; L193-V197 VanDerWaalsContact O-N 3.07Å
194N98.2Very high96.4Very high18 Ų1832.7 Ų32.710%0.09618%0.18CC..Hα-helixtrans-69.8-39.8174.6-82.9-86.4000112.2L13 W17 Y190 V191 V197 A198L13-N194 HydrophobicContact CD1-CB 3.89Å; L13-N194 HydrophobicContact CD2-CB 4.23Å; W17-N194 PolarHBondContact NE1-OD1 2.96Å; Y190-N194 WeakPolarHBondContact CE2-ND2 3.33Å; Y190-N194 PolarHBondContact O-N 3.42Å; Y190-N194 PolarHBondContact O-ND2 2.93Å; V191-N194 PolarHBondContact O-N 3.09Å; V191-N194 VanDerWaalsContact O-N 3.16Å; N194-V197 PolarHBondContact O-N 3.44Å; N194-A198 PolarHBondContact O-N 2.89Å
195L97.4Very high96.6Very high109 Ų10932.3 Ų32.357%0.57118%0.181SC*.Hα-helixtrans-64-40.3175.8-69.8174.1000112V191 A192 A198 T199V191-L195 HydrophobicContact CG1-CD1 4.04Å; V191-L195 HydrophobicContact CG1-CG 4.39Å; V191-L195 WeakPolarHBondContact O-CG 3.08Å; V191-L195 PolarHBondContact O-N 2.92Å; A192-L195 PolarHBondContact O-N 3Å; L195-A198 PolarHBondContact O-N 3.44Å; L195-T199 PolarHBondContact O-N 3.21Å; L195-T199 PolarHBondContact O-OG1 3.43Å
196I96.9Very high96.6Very high10 Ų1030 Ų305%0.05117%0.169CC..Hα-helixtrans-69.9-36.4177.6-151.8176.3000111.6W69 L73 I166 A192 L193 T199 W200W69-I196 HydrophobicContact CB-CD1 3.42Å; W69-I196 VanDerWaalsContact CB-CD1 3.42Å; W69-I196 HydrophobicContact CG-CD1 4.26Å; L73-I196 HydrophobicContact CD1-CB 4.1Å; L73-I196 HydrophobicContact CD1-CD1 3.89Å; L73-I196 HydrophobicContact CD1-CG2 3.99Å; I166-I196 HydrophobicContact CD1-CG2 3.78Å; A192-I196 PolarHBondContact O-N 3.1Å; L193-I196 WeakPolarHBondContact O-CG2 3.49Å; I196-T199 CarbonylContact O-C 3.53Å; I196-T199 WeakPolarHBondContact O-CB 3.46Å; I196-T199 PolarHBondContact O-N 3.46Å; I196-T199 VanDerWaalsContact O-N 3.17Å; I196-W200 HydrophobicContact CD1-CH2 4.1Å; I196-W200 HydrophobicContact CD1-CZ2 3.36Å; I196-W200 HydrophobicContact CG1-CD2 4.3Å; I196-W200 HydrophobicContact CG1-CH2 4.25Å; I196-W200 HydrophobicContact CG1-CZ2 3.6Å; I196-W200 VanDerWaalsContact O-CD1 3.27Å; I196-W200 PolarHBondContact O-N 2.9Å
197V97.9Very high96.5Very high7 Ų730 Ų304%0.04217%0.17CC..Hα-helixtrans-61.2-44.8172.1169.10000111.2F26 I166 L193 N194 T199 W200 V201F26-V197 HydrophobicContact CE2-CG1 4.46Å; F26-V197 HydrophobicContact CZ-CG1 3.71Å; I166-V197 HydrophobicContact CB-CG2 3.73Å; I166-V197 HydrophobicContact CD1-CG2 3.81Å; I166-V197 HydrophobicContact CG1-CG2 4.39Å; I166-V197 HydrophobicContact CG2-CG2 3.51Å; L193-V197 VanDerWaalsContact O-CG2 3.23Å; L193-V197 WeakPolarHBondContact O-CG2 3.43Å; L193-V197 PolarHBondContact O-N 3.34Å; L193-V197 VanDerWaalsContact O-N 3.07Å; N194-V197 PolarHBondContact O-N 3.44Å; V197-T199 VanDerWaalsContact C-N 3.25Å; V197-T199 PolarHBondContact O-N 2.88Å; V197-W200 PolarHBondContact O-N 3.31Å; V197-W200 VanDerWaalsContact O-N 3.14Å; V197-V201 HydrophobicContact CG1-CG2 4.45Å; V197-V201 WeakPolarHBondContact O-CG2 3.37Å; V197-V201 PolarHBondContact O-N 2.69Å
198A97.5Very high96.4Very high59 Ų5929.5 Ų29.549%0.48817%0.167SC..Hα-helixtrans-58.5-40.6174.700000111.6N194 L195 V201 W202N194-A198 PolarHBondContact O-N 2.89Å; L195-A198 PolarHBondContact O-N 3.44Å; A198-V201 PolarHBondContact O-N 3.17Å; A198-W202 WeakPolarHBondContact O-CB 3.4Å; A198-W202 PolarHBondContact O-N 3.41Å
199T96Very high96.3Very high42 Ų4227.1 Ų27.126%0.25816%0.155SC..Hα-helixtrans-64.5-40.6175.4-55.90000111.8V58 F62 L195 I196 V197 W202 M203V58-T199 HydrophobicContact CG1-CG2 4.38Å; F62-T199 HydrophobicContact CD1-CG2 4.37Å; L195-T199 PolarHBondContact O-N 3.21Å; L195-T199 PolarHBondContact O-OG1 3.43Å; I196-T199 CarbonylContact O-C 3.53Å; I196-T199 WeakPolarHBondContact O-CB 3.46Å; I196-T199 PolarHBondContact O-N 3.46Å; I196-T199 VanDerWaalsContact O-N 3.17Å; V197-T199 VanDerWaalsContact C-N 3.25Å; V197-T199 PolarHBondContact O-N 2.88Å; T199-W202 PolarHBondContact O-N 2.92Å; T199-M203 HydrophobicContact CG2-CG 4.42Å; T199-M203 WeakPolarHBondContact O-CB 3.49Å; T199-M203 WeakPolarHBondContact O-CG 3.47Å; T199-M203 PolarHBondContact O-N 2.79Å
200W97.2Very high95.9Very high0 Ų027.9 Ų27.90%016%0.157CC..Hα-helixtrans-64.5-44.1175.5-61.6149.8000112.8F62 S66 W69 L159 S163 I196 V197 W202 M203 F204F62-W200 HydrophobicContact CB-CH2 4.25Å; F62-W200 HydrophobicContact CB-CZ3 3.97Å; F62-W200 WeakPolarHBondContact O-CH2 3.15Å; S66-W200 WeakPolarHBondContact O-CZ2 3.34Å; W69-W200 HydrophobicContact CB-CH2 4.5Å; W69-W200 HydrophobicContact CB-CZ2 4.22Å; L159-W200 HydrophobicContact CB-CB 4.4Å; L159-W200 HydrophobicContact CD2-CB 4.13Å; L159-W200 HydrophobicContact CD2-CD2 3.63Å; L159-W200 HydrophobicContact CD2-CE3 3.1Å; L159-W200 HydrophobicContact CD2-CG 4.1Å; L159-W200 HydrophobicContact CD2-CZ3 3.72Å; S163-W200 VanDerWaalsContact OG-CB 3.26Å; S163-W200 WeakPolarHBondContact OG-CB 3.39Å; I196-W200 HydrophobicContact CD1-CH2 4.1Å; I196-W200 HydrophobicContact CD1-CZ2 3.36Å; I196-W200 HydrophobicContact CG1-CD2 4.3Å; I196-W200 HydrophobicContact CG1-CH2 4.25Å; I196-W200 HydrophobicContact CG1-CZ2 3.6Å; I196-W200 VanDerWaalsContact O-CD1 3.27Å; I196-W200 PolarHBondContact O-N 2.9Å; V197-W200 PolarHBondContact O-N 3.31Å; V197-W200 VanDerWaalsContact O-N 3.14Å; W200-W202 VanDerWaalsContact C-N 3.35Å; W200-M203 PolarHBondContact O-N 3.27Å; W200-F204 WeakPolarHBondContact O-CB 3.37Å; W200-F204 PolarHBondContact O-N 2.77Å
201V97.8Very high95.5Very high30 Ų3029.8 Ų29.818%0.18217%0.165CC..Hα-helixtrans-62.2-44.61761740000110.6F26 L29 F30 I33 V197 A198 F204 A205F26-V201 HydrophobicContact CE2-CG2 4.05Å; F26-V201 HydrophobicContact CZ-CG2 4.09Å; L29-V201 HydrophobicContact CD2-CG1 4.3Å; F30-V201 HydrophobicContact CE1-CG2 4.26Å; F30-V201 HydrophobicContact CZ-CG2 3.88Å; I33-V201 HydrophobicContact CD1-CG1 4.05Å; V197-V201 HydrophobicContact CG1-CG2 4.45Å; V197-V201 WeakPolarHBondContact O-CG2 3.37Å; V197-V201 PolarHBondContact O-N 2.69Å; A198-V201 PolarHBondContact O-N 3.17Å; V201-F204 PolarHBondContact O-N 3.31Å; V201-A205 PolarHBondContact O-N 2.93Å
202W95.9Very high94.8Very high139 Ų13930.4 Ų30.453%0.52717%0.166SC..Hα-helixtrans-60.5-51.6176.1176.9-101000112F51 A198 T199 W200 F204 A205 C206F51-W202 HydrophobicContact CD2-CZ2 4.26Å; F51-W202 AromaticContact CE1-NE1 3.46Å; F51-W202 AromaticContact CE2-CZ2 3.87Å; F51-W202 HydrophobicContact CE2-CZ2 3.87Å; F51-W202 AromaticContact CE2-NE1 3.79Å; F51-W202 HydrophobicContact CZ-CZ2 4.28Å; F51-W202 AromaticContact CZ-NE1 3.33Å; F51-W202 VanDerWaalsContact CZ-NE1 3.33Å; A198-W202 WeakPolarHBondContact O-CB 3.4Å; A198-W202 PolarHBondContact O-N 3.41Å; T199-W202 PolarHBondContact O-N 2.92Å; W200-W202 VanDerWaalsContact C-N 3.35Å; W202-F204 VanDerWaalsContact C-N 3.27Å; W202-F204 PolarHBondContact O-N 2.86Å; W202-A205 WeakPolarHBondContact O-CA 3.27Å; W202-A205 WeakPolarHBondContact O-CB 3.31Å; W202-A205 PolarHBondContact O-N 3.22Å; W202-C206 PolarHBondContact O-N 3.38Å; W202-C206 PolarHBondContact O-SG 3.31Å
203M95.1Very high94.3Very high2 Ų233 Ų331%0.0118%0.176CC..Hα-helixtrans-67.2-29.1-179.6-71.4-54.6-64.700112.6F51 V58 N59 V63 L159 T199 W200 C206 T207F51-M203 HydrophobicContact CD1-SD 4.04Å; F51-M203 HydrophobicContact CE1-SD 4.02Å; V58-M203 HydrophobicContact CB-CE 4.32Å; V58-M203 HydrophobicContact CB-SD 3.96Å; V58-M203 HydrophobicContact CG1-CE 4.13Å; V58-M203 HydrophobicContact CG1-CG 3.7Å; V58-M203 HydrophobicContact CG1-SD 3.41Å; V58-M203 WeakPolarHBondContact CG1-SD 3.42Å; N59-M203 HydrophobicContact CB-CE 4.17Å; V63-M203 HydrophobicContact CG2-CB 3.67Å; V63-M203 HydrophobicContact CG2-CE 3.51Å; V63-M203 HydrophobicContact CG2-CG 3.64Å; V63-M203 HydrophobicContact CG2-SD 4.37Å; L159-M203 HydrophobicContact CD1-CB 3.85Å; T199-M203 HydrophobicContact CG2-CG 4.42Å; T199-M203 WeakPolarHBondContact O-CB 3.49Å; T199-M203 WeakPolarHBondContact O-CG 3.47Å; T199-M203 PolarHBondContact O-N 2.79Å; W200-M203 PolarHBondContact O-N 3.27Å; M203-C206 PolarHBondContact O-N 2.93Å; M203-T207 WeakPolarHBondContact O-CB 3.38Å; M203-T207 PolarHBondContact O-N 3.23Å; M203-T207 PolarHBondContact O-OG1 2.95Å
204F96.7Very high94Very high0 Ų034.5 Ų34.50%019%0.185CC..Hα-helixtrans-66.1-41.2171.2-178.6-82.8000110.9F30 I33 S156 L159 C160 W200 V201 W202 T207 S208 T221F30-F204 HydrophobicContact CB-CE1 4.25Å; F30-F204 HydrophobicContact CB-CZ 4.08Å; F30-F204 AromaticContact CD1-CD1 3.83Å; F30-F204 HydrophobicContact CD1-CD1 3.83Å; F30-F204 AromaticContact CD1-CD2 3.86Å; F30-F204 HydrophobicContact CD1-CD2 3.86Å; F30-F204 AromaticContact CD1-CE1 3.93Å; F30-F204 HydrophobicContact CD1-CE1 3.93Å; F30-F204 AromaticContact CD1-CE2 3.93Å; F30-F204 HydrophobicContact CD1-CE2 3.93Å; F30-F204 AromaticContact CD1-CG 3.81Å; F30-F204 HydrophobicContact CD1-CG 3.81Å; F30-F204 AromaticContact CD1-CZ 3.97Å; F30-F204 HydrophobicContact CD1-CZ 3.97Å; F30-F204 HydrophobicContact CE1-CB 4.38Å; F30-F204 HydrophobicContact CE1-CD1 4.44Å; F30-F204 HydrophobicContact CE1-CD2 4.31Å; F30-F204 HydrophobicContact CE1-CG 4.13Å; F30-F204 VanDerWaalsContact O-CE1 3.27Å; F30-F204 WeakPolarHBondContact O-CE1 3.05Å; F30-F204 WeakPolarHBondContact O-CZ 3.25Å; I33-F204 HydrophobicContact CB-CD1 4.1Å; I33-F204 HydrophobicContact CB-CE1 3.92Å; I33-F204 HydrophobicContact CG2-CD1 3.61Å; I33-F204 HydrophobicContact CG2-CE1 3.76Å; S156-F204 VanDerWaalsContact O-CE2 3.31Å; S156-F204 WeakPolarHBondContact O-CE2 3.28Å; L159-F204 HydrophobicContact CB-CB 4.16Å; L159-F204 HydrophobicContact CB-CD2 4.22Å; L159-F204 HydrophobicContact CD1-CB 4.14Å; C160-F204 HydrophobicContact CB-CD2 4.37Å; C160-F204 HydrophobicContact CB-CE2 4.07Å; W200-F204 WeakPolarHBondContact O-CB 3.37Å; W200-F204 PolarHBondContact O-N 2.77Å; V201-F204 PolarHBondContact O-N 3.31Å; W202-F204 VanDerWaalsContact C-N 3.27Å; W202-F204 PolarHBondContact O-N 2.86Å; F204-T207 WeakPolarHBondContact O-CB 3.43Å; F204-T207 PolarHBondContact O-N 2.86Å; F204-S208 WeakPolarHBondContact O-CB 3.47Å; F204-S208 PolarHBondContact O-N 3.49Å; F204-S208 PolarHBondContact O-OG 2.9Å; F204-T221 HydrophobicContact CE2-CG2 4.27Å; F204-T221 WeakPolarHBondContact CE2-OG1 3.3Å; F204-T221 HydrophobicContact CZ-CG2 3.85Å; F204-T221 VanDerWaalsContact CZ-OG1 3.26Å; F204-T221 WeakPolarHBondContact CZ-OG1 3.36Å
205A96.1Very high93.7Very high30 Ų3039.4 Ų39.425%0.24821%0.206CC..Hα-helixtrans-62.6-47.2173.400000111.8I33 V201 W202 T207 S208 V209I33-A205 HydrophobicContact CG2-CB 3.8Å; V201-A205 PolarHBondContact O-N 2.93Å; W202-A205 WeakPolarHBondContact O-CA 3.27Å; W202-A205 WeakPolarHBondContact O-CB 3.31Å; W202-A205 PolarHBondContact O-N 3.22Å; A205-T207 VanDerWaalsContact C-N 3.29Å; A205-T207 PolarHBondContact O-N 3Å; A205-S208 WeakPolarHBondContact O-CB 3.29Å; A205-S208 PolarHBondContact O-N 3.19Å; A205-V209 PolarHBondContact O-N 3.28Å; A205-V209 VanDerWaalsContact O-N 3.09Å
206C93.5Very high93.4Very high7 Ų734.7 Ų34.75%0.04718%0.181CC..Hα-helixtrans-58-41.8173.3-63.60000112F51 W202 M203 S208 V209 Y210F51-C206 HydrophobicContact CB-CB 4.23Å; W202-C206 PolarHBondContact O-N 3.38Å; W202-C206 PolarHBondContact O-SG 3.31Å; M203-C206 PolarHBondContact O-N 2.93Å; C206-S208 VanDerWaalsContact C-N 3.26Å; C206-S208 PolarHBondContact O-N 3.46Å; C206-V209 PolarHBondContact O-N 2.88Å; C206-Y210 HydrophobicContact CB-CD2 4.32Å; C206-Y210 WeakPolarHBondContact O-CB 3.43Å; C206-Y210 WeakPolarHBondContact O-CD2 3.37Å; C206-Y210 PolarHBondContact O-N 3.34Å
207T91.8Very high93.2Very high1 Ų134.2 Ų34.21%0.00618%0.179CC..Hα-helixtrans-59.6-40.8175.3-58.10000111.4H155 M203 F204 A205 F211 K217H155-T207 HydrophobicContact CB-CG2 4.11Å; M203-T207 WeakPolarHBondContact O-CB 3.38Å; M203-T207 PolarHBondContact O-N 3.23Å; M203-T207 PolarHBondContact O-OG1 2.95Å; F204-T207 WeakPolarHBondContact O-CB 3.43Å; F204-T207 PolarHBondContact O-N 2.86Å; A205-T207 VanDerWaalsContact C-N 3.29Å; A205-T207 PolarHBondContact O-N 3Å; T207-F211 PolarHBondContact O-N 3.5Å; T207-K217 WeakPolarHBondContact O-CE 3.37Å
208S93.4Very high93Very high0 Ų037.2 Ų37.20%019%0.194CC..Hα-helixtrans-69-35.2-177.7-57.60000112.7G37 F204 A205 C206 K217G37-S208 CarbonylContact C-O 3.39Å; G37-S208 VanDerWaalsContact C-O 3.28Å; F204-S208 WeakPolarHBondContact O-CB 3.47Å; F204-S208 PolarHBondContact O-N 3.49Å; F204-S208 PolarHBondContact O-OG 2.9Å; A205-S208 WeakPolarHBondContact O-CB 3.29Å; A205-S208 PolarHBondContact O-N 3.19Å; C206-S208 VanDerWaalsContact C-N 3.26Å; C206-S208 PolarHBondContact O-N 3.46Å; S208-K217 WeakPolarHBondContact O-CE 3.42Å; S208-K217 PolarHBondContact O-NZ 2.9Å
209V94Very high92.9Very high25 Ų2538 Ų3815%0.15219%0.189CC..Hα-helixtrans-90.8-27.6-179.3-61.20000114.3L40 K41 V46 A205 C206L40-V209 HydrophobicContact CB-CG1 4.39Å; L40-V209 HydrophobicContact CD1-CG1 4.32Å; K41-V209 WeakPolarHBondContact CB-O 3.36Å; K41-V209 VanDerWaalsContact CG-O 3.3Å; K41-V209 WeakPolarHBondContact CG-O 3.2Å; V46-V209 HydrophobicContact CG1-CG2 4.38Å; V46-V209 HydrophobicContact CG2-CB 4.2Å; V46-V209 HydrophobicContact CG2-CG1 4.26Å; A205-V209 PolarHBondContact O-N 3.28Å; A205-V209 VanDerWaalsContact O-N 3.09Å; C206-V209 PolarHBondContact O-N 2.88Å
210Y88.8Confident92.9Very high44 Ų4436 Ų3617%0.17318%0.177CC..Hα-helixtrans-108.1-34.3-171.5-66.8-56.4000115.5V46 P47 S49 F51 C206V46-Y210 HydrophobicContact CB-CE1 4.4Å; V46-Y210 HydrophobicContact CG1-CE1 3.64Å; V46-Y210 VanDerWaalsContact CG1-OH 3.28Å; V46-Y210 WeakPolarHBondContact CG1-OH 3.41Å; P47-Y210 WeakPolarHBondContact O-CE1 3.41Å; P47-Y210 PolarHBondContact O-OH 2.84Å; P47-Y210 VanDerWaalsContact O-OH 3.1Å; S49-Y210 WeakPolarHBondContact CB-OH 3.45Å; S49-Y210 PolarHBondContact OG-OH 3.39Å; F51-Y210 HydrophobicContact CB-CD2 4.16Å; F51-Y210 HydrophobicContact CB-CE2 3.86Å; C206-Y210 HydrophobicContact CB-CD2 4.32Å; C206-Y210 WeakPolarHBondContact O-CB 3.43Å; C206-Y210 WeakPolarHBondContact O-CD2 3.37Å; C206-Y210 PolarHBondContact O-N 3.34Å
211F87.1Confident92.9Very high42 Ų4236 Ų3618%0.18418%0.177CC..SBendtrans-109.6173.2-169.5-59.8-78.7000111.4K41 F51 S52 T207 K217K41-F211 PolarHBondContact NZ-O 3.35Å; F51-F211 WeakPolarHBondContact O-CE2 3.22Å; F51-F211 WeakPolarHBondContact O-CZ 3.45Å; S52-F211 WeakPolarHBondContact O-CE1 3.29Å; S52-F211 WeakPolarHBondContact O-CZ 3.42Å; T207-F211 PolarHBondContact O-N 3.5Å; F211-K217 WeakPolarHBondContact O-CE 3.3Å; F211-K217 PolarHBondContact O-NZ 3.22Å
212H83.9Confident92.9Very high44 Ų4436.7 Ų36.720%0.20419%0.187CC..SBendtrans44.6159.6171.1-63.5-87000120.4K41 D151 S153 D216 K217K41-H212 PolarHBondContact NZ-O 2.66Å; D151-H212 PolarHBondContact O-ND1 2.89Å; D151-H212 IonicContact OD1-CE1 3.91Å; D151-H212 IonicContact OD2-CE1 3.29Å; D151-H212 PolarHBondContact OD2-CE1 3.26Å; D151-H212 VanDerWaalsContact OD2-CE1 3.29Å; D151-H212 IonicContact OD2-ND1 3.81Å; S153-H212 PolarHBondContact OG-CD2 3.28Å; S153-H212 PolarHBondContact OG-NE2 3.17Å; H212-D216 HydrophobicContact CB-CB 4.22Å; H212-K217 HydrophobicContact CB-CG 3.92Å; H212-K217 WeakPolarHBondContact O-CE 3.28Å; H212-K217 PolarHBondContact O-NZ 3.11Å; H212-K217 VanDerWaalsContact O-NZ 3.11Å
213D88Confident93Very high85 Ų8531.9 Ų31.946%0.45517%0.174SC..  trans-71.8154.3169.9-68.3-21000111.1K215 D216 K217D213-K215 VanDerWaalsContact C-N 3.28Å; D213-K215 HydrophobicContact CB-CG 4.17Å; D213-K215 PolarHBondContact O-N 2.77Å; D213-D216 PolarHBondContact O-N 3.13Å; D213-D216 VanDerWaalsContact O-N 3.12Å; D213-K217 PolarHBondContact O-N 3.44Å
214P90.3Very high93.1Very high30 Ų3031.8 Ų31.820%0.19517%0.173CC..Hα-helixtrans-52-44.1178.7-28.434.9000113.5E42 D216 K217 L218E42-P214 HydrophobicContact CG-CG 4.2Å; E42-P214 WeakPolarHBondContact OE1-CG 3.29Å; P214-D216 VanDerWaalsContact C-N 3.33Å; P214-D216 PolarHBondContact O-N 2.99Å; P214-K217 PolarHBondContact O-N 3.08Å; P214-L218 WeakPolarHBondContact O-CB 3.48Å; P214-L218 VanDerWaalsContact O-CG 3.29Å; P214-L218 WeakPolarHBondContact O-CG 3.15Å; P214-L218 PolarHBondContact O-N 3Å
215K92Very high93.2Very high121 Ų12132.9 Ų32.953%0.52618%0.179SC..Hα-helixtrans-59.1-42.8178.965.5-177-179.2-179.40112.1D213 K217 L218 L219D213-K215 VanDerWaalsContact C-N 3.28Å; D213-K215 HydrophobicContact CB-CG 4.17Å; D213-K215 PolarHBondContact O-N 2.77Å; K215-K217 PolarHBondContact O-N 3.26Å; K215-L218 PolarHBondContact O-N 3.44Å; K215-L219 WeakPolarHBondContact O-CB 3.35Å; K215-L219 VanDerWaalsContact O-CG 3.31Å; K215-L219 WeakPolarHBondContact O-CG 3.14Å; K215-L219 PolarHBondContact O-N 2.79Å
216D91.6Very high93.3Very high11 Ų1136.1 Ų36.16%0.05919%0.191CC..Hα-helixtrans-69.7-36.9-175.7-60.3-22000111H150 D151 S153 H212 D213 P214 G220H150-D216 IonicContact CE1-OD1 3.21Å; H150-D216 PolarHBondContact CE1-OD1 3.02Å; H150-D216 IonicContact ND1-OD1 2.86Å; H150-D216 PolarHBondContact ND1-OD1 2.91Å; H150-D216 IonicContact NE2-OD1 3.21Å; D151-D216 VanDerWaalsContact O-CB 3.28Å; D151-D216 WeakPolarHBondContact O-CB 3.36Å; S153-D216 PolarHBondContact N-O 3.4Å; H212-D216 HydrophobicContact CB-CB 4.22Å; D213-D216 PolarHBondContact O-N 3.13Å; D213-D216 VanDerWaalsContact O-N 3.12Å; P214-D216 VanDerWaalsContact C-N 3.33Å; P214-D216 PolarHBondContact O-N 2.99Å; D216-G220 PolarHBondContact O-N 2.91Å; D216-G220 VanDerWaalsContact O-N 3.12Å
217K92.8Very high93.5Very high0 Ų036.1 Ų36.10%019%0.193CC..Hα-helixtrans-66.1-49.2173.6-64.5165.1-177163.80111.2K41 T207 S208 F211 H212 D213 P214 K215 L219 G220 T221K41-K217 VanDerWaalsContact CD-NZ 3.26Å; T207-K217 WeakPolarHBondContact O-CE 3.37Å; S208-K217 WeakPolarHBondContact O-CE 3.42Å; S208-K217 PolarHBondContact O-NZ 2.9Å; F211-K217 WeakPolarHBondContact O-CE 3.3Å; F211-K217 PolarHBondContact O-NZ 3.22Å; H212-K217 HydrophobicContact CB-CG 3.92Å; H212-K217 WeakPolarHBondContact O-CE 3.28Å; H212-K217 PolarHBondContact O-NZ 3.11Å; H212-K217 VanDerWaalsContact O-NZ 3.11Å; D213-K217 PolarHBondContact O-N 3.44Å; P214-K217 PolarHBondContact O-N 3.08Å; K215-K217 PolarHBondContact O-N 3.26Å; K217-L219 VanDerWaalsContact C-N 3.32Å; K217-L219 PolarHBondContact O-N 3.29Å; K217-G220 PolarHBondContact O-N 3.37Å; K217-T221 WeakPolarHBondContact O-CB 3.14Å; K217-T221 PolarHBondContact O-N 2.97Å; K217-T221 PolarHBondContact O-OG1 3.17Å
218L94.4Very high93.8Very high69 Ų6936.9 Ų36.936%0.36120%0.196SC..Hα-helixtrans-61.2-42.1-178.4-73.5172000111.1P214 K215 T221 A222P214-L218 WeakPolarHBondContact O-CB 3.48Å; P214-L218 VanDerWaalsContact O-CG 3.29Å; P214-L218 WeakPolarHBondContact O-CG 3.15Å; P214-L218 PolarHBondContact O-N 3Å; K215-L218 PolarHBondContact O-N 3.44Å; L218-T221 PolarHBondContact O-N 3.1Å; L218-A222 WeakPolarHBondContact O-CB 3.23Å; L218-A222 PolarHBondContact O-N 3.34Å
219L95.1Very high93.9Very high75 Ų7543 Ų4339%0.39322%0.22SC..Hα-helixtrans-61.7-48.1174.4-72.8172.3000111.7H150 I152 K215 K217 T221 A222 C223H150-L219 VanDerWaalsContact NE2-CD1 3.3Å; H150-L219 WeakPolarHBondContact NE2-CD1 3.46Å; I152-L219 HydrophobicContact CD1-CD1 4.44Å; I152-L219 HydrophobicContact CG1-CB 4.49Å; I152-L219 HydrophobicContact CG1-CD1 4.25Å; I152-L219 HydrophobicContact CG2-CB 4.02Å; K215-L219 WeakPolarHBondContact O-CB 3.35Å; K215-L219 VanDerWaalsContact O-CG 3.31Å; K215-L219 WeakPolarHBondContact O-CG 3.14Å; K215-L219 PolarHBondContact O-N 2.79Å; K217-L219 VanDerWaalsContact C-N 3.32Å; K217-L219 PolarHBondContact O-N 3.29Å; L219-T221 PolarHBondContact O-N 2.66Å; L219-A222 PolarHBondContact O-N 3.31Å; L219-C223 PolarHBondContact O-N 3Å; L219-C223 PolarHBondContact O-SG 3.12Å; L219-C223 VanDerWaalsContact O-SG 3.35Å
220G96.3Very high94.1Very high0 Ų045.9 Ų45.90%023%0.234CC..Hα-helixtrans-58.6-47.4176.100000112.5F157 D216 K217 C223 G224F157-G220 VanDerWaalsContact CA-O 3.22Å; F157-G220 WeakPolarHBondContact CA-O 3.35Å; F157-G220 WeakPolarHBondContact CB-O 3.47Å; D216-G220 PolarHBondContact O-N 2.91Å; D216-G220 VanDerWaalsContact O-N 3.12Å; K217-G220 PolarHBondContact O-N 3.37Å; G220-C223 PolarHBondContact O-N 3.35Å; G220-G224 PolarHBondContact O-N 3.45Å; G220-G224 VanDerWaalsContact O-N 3.14Å
221T97.4Very high94.5Very high0 Ų044.1 Ų44.10%023%0.227CC..Hα-helixtrans-60.8-44.7176.1-54.40000111.9F30 L31 S34 F204 K217 L218 L219 C223 G224 L225F30-T221 HydrophobicContact CB-CG2 4.06Å; L31-T221 HydrophobicContact CD2-CG2 4.01Å; S34-T221 PolarHBondContact OG-OG1 3.42Å; F204-T221 HydrophobicContact CE2-CG2 4.27Å; F204-T221 WeakPolarHBondContact CE2-OG1 3.3Å; F204-T221 HydrophobicContact CZ-CG2 3.85Å; F204-T221 VanDerWaalsContact CZ-OG1 3.26Å; F204-T221 WeakPolarHBondContact CZ-OG1 3.36Å; K217-T221 WeakPolarHBondContact O-CB 3.14Å; K217-T221 PolarHBondContact O-N 2.97Å; K217-T221 PolarHBondContact O-OG1 3.17Å; L218-T221 PolarHBondContact O-N 3.1Å; L219-T221 PolarHBondContact O-N 2.66Å; T221-C223 PolarHBondContact O-N 3.45Å; T221-G224 PolarHBondContact O-N 3.17Å; T221-G224 VanDerWaalsContact O-N 3.14Å; T221-L225 HydrophobicContact CG2-CD1 3.97Å; T221-L225 WeakPolarHBondContact O-CG 3.44Å; T221-L225 PolarHBondContact O-N 3.13Å
222A97.2Very high94.9Very high46 Ų4642.3 Ų42.338%0.3822%0.219SC..Hα-helixtrans-61.7-42.6178.800000111.6L218 L219 G224 L225 L226L218-A222 WeakPolarHBondContact O-CB 3.23Å; L218-A222 PolarHBondContact O-N 3.34Å; L219-A222 PolarHBondContact O-N 3.31Å; A222-G224 VanDerWaalsContact C-N 3.3Å; A222-G224 PolarHBondContact O-N 3.49Å; A222-L225 PolarHBondContact O-N 2.96Å; A222-L226 WeakPolarHBondContact O-CB 3.41Å; A222-L226 PolarHBondContact O-N 3.09Å
223C97.4Very high95.4Very high38 Ų3843.7 Ų43.726%0.25722%0.223SC..Hα-helixtrans-60-39.3173.6-70.80000112.3F112 F157 L219 G220 T221 L226 G227F112-C223 HydrophobicContact CE1-CB 4.36Å; F112-C223 HydrophobicContact CZ-CB 3.79Å; F157-C223 HydrophobicContact CD2-CB 3.86Å; F157-C223 HydrophobicContact CE2-CB 4.32Å; L219-C223 PolarHBondContact O-N 3Å; L219-C223 PolarHBondContact O-SG 3.12Å; L219-C223 VanDerWaalsContact O-SG 3.35Å; G220-C223 PolarHBondContact O-N 3.35Å; T221-C223 PolarHBondContact O-N 3.45Å; C223-L226 PolarHBondContact O-N 3.16Å; C223-G227 PolarHBondContact O-N 2.79Å
224G97.7Very high95.7Very high0 Ų046.3 Ų46.30%023%0.228CC..Hα-helixtrans-65.9-45.9179.100000111.8Y161 G220 T221 A222 W228Y161-G224 WeakPolarHBondContact CD2-O 3.48Å; G220-G224 PolarHBondContact O-N 3.45Å; G220-G224 VanDerWaalsContact O-N 3.14Å; T221-G224 PolarHBondContact O-N 3.17Å; T221-G224 VanDerWaalsContact O-N 3.14Å; A222-G224 VanDerWaalsContact C-N 3.3Å; A222-G224 PolarHBondContact O-N 3.49Å; G224-W228 PolarHBondContact O-N 3.15Å; G224-W228 VanDerWaalsContact O-N 3.13Å
225L98.1Very high96Very high23 Ų2350 Ų5012%0.1224%0.238CC..Hα-helixtrans-64.1-43.3175.5-71.1162.9000112P27 L31 L164 T221 A222 W228 Y229P27-L225 HydrophobicContact CB-CD2 3.76Å; L31-L225 HydrophobicContact CD1-CD1 3.9Å; L31-L225 HydrophobicContact CD2-CD1 3.47Å; L31-L225 VanDerWaalsContact CD2-CD1 3.47Å; L31-L225 HydrophobicContact CG-CD1 3.5Å; L31-L225 VanDerWaalsContact CG-CD1 3.5Å; L164-L225 HydrophobicContact CD1-CD2 3.79Å; T221-L225 HydrophobicContact CG2-CD1 3.97Å; T221-L225 WeakPolarHBondContact O-CG 3.44Å; T221-L225 PolarHBondContact O-N 3.13Å; A222-L225 PolarHBondContact O-N 2.96Å; L225-W228 PolarHBondContact O-N 2.97Å; L225-Y229 VanDerWaalsContact O-CB 3.24Å; L225-Y229 WeakPolarHBondContact O-CB 3.4Å; L225-Y229 PolarHBondContact O-N 2.67Å
226L97.9Very high96.1Very high97 Ų9744.4 Ų44.451%0.50821%0.213SC..Hα-helixtrans-64.4-46.8179.8-176.464.8000110.9A222 C223 W228 Y229 L230A222-L226 WeakPolarHBondContact O-CB 3.41Å; A222-L226 PolarHBondContact O-N 3.09Å; C223-L226 PolarHBondContact O-N 3.16Å; L226-W228 VanDerWaalsContact C-N 3.31Å; L226-W228 PolarHBondContact O-N 3.29Å; L226-Y229 PolarHBondContact O-N 3.05Å; L226-L230 HydrophobicContact CD1-CD1 3.9Å; L226-L230 HydrophobicContact CD1-CD2 4.3Å; L226-L230 HydrophobicContact CD1-CG 3.85Å; L226-L230 HydrophobicContact CD2-CD1 4.4Å; L226-L230 HydrophobicContact CG-CD1 3.77Å; L226-L230 HydrophobicContact CG-CG 4.13Å; L226-L230 WeakPolarHBondContact O-CB 3.47Å; L226-L230 VanDerWaalsContact O-CG 3.27Å; L226-L230 WeakPolarHBondContact O-CG 3.44Å; L226-L230 PolarHBondContact O-N 3.43Å
227G97.6Very high96.1Very high8 Ų848.6 Ų48.68%0.08223%0.232CC..Hα-helixtrans-57.9-43.3176.900000112.2C223 T231C223-G227 PolarHBondContact O-N 2.79Å; G227-T231 WeakPolarHBondContact O-CB 3.4Å; G227-T231 WeakPolarHBondContact O-CG2 3.27Å; G227-T231 PolarHBondContact O-N 3.22Å; G227-T231 PolarHBondContact O-OG1 3.42Å
228W97.9Very high96.1Very high17 Ų1753.6 Ų53.66%0.06425%0.254CS..Hα-helixtrans-66.2-45.5174.3164.676.1000112.6P27 Y161 L164 M167 E168 G224 L225 L226 T231 Y232 R233P27-W228 HydrophobicContact CB-CH2 4.16Å; P27-W228 HydrophobicContact CB-CZ3 4Å; P27-W228 HydrophobicContact CG-CH2 3.49Å; P27-W228 VanDerWaalsContact CG-CH2 3.49Å; P27-W228 HydrophobicContact CG-CZ2 4.01Å; P27-W228 HydrophobicContact CG-CZ3 3.85Å; Y161-W228 HydrophobicContact CD2-CB 4.41Å; Y161-W228 HydrophobicContact CE2-CB 4.48Å; L164-W228 HydrophobicContact CB-CB 4.02Å; L164-W228 HydrophobicContact CB-CD2 4.29Å; L164-W228 HydrophobicContact CB-CG 3.69Å; L164-W228 HydrophobicContact CD1-CB 3.83Å; L164-W228 HydrophobicContact CD1-CD2 4Å; L164-W228 HydrophobicContact CD1-CE3 4.2Å; L164-W228 HydrophobicContact CD1-CG 3.85Å; L164-W228 HydrophobicContact CG-CG 4.3Å; M167-W228 HydrophobicContact CE-CZ2 4.15Å; E168-W228 VanDerWaalsContact CG-NE1 3.29Å; E168-W228 WeakPolarHBondContact OE1-CZ2 3.21Å; E168-W228 PolarHBondContact OE1-NE1 3.14Å; E168-W228 VanDerWaalsContact OE1-NE1 3.1Å; G224-W228 PolarHBondContact O-N 3.15Å; G224-W228 VanDerWaalsContact O-N 3.13Å; L225-W228 PolarHBondContact O-N 2.97Å; L226-W228 VanDerWaalsContact C-N 3.31Å; L226-W228 PolarHBondContact O-N 3.29Å; W228-T231 PolarHBondContact O-N 2.93Å; W228-T231 PolarHBondContact O-OG1 3.34Å; W228-T231 VanDerWaalsContact O-OG1 3.07Å; W228-Y232 AromaticContact CD1-CD2 3.83Å; W228-Y232 PolarHBondContact O-N 3.02Å; W228-R233 HydrophobicContact CH2-CG 3.97Å; W228-R233 VanDerWaalsContact CH2-NE 3.34Å; W228-R233 HydrophobicContact CZ2-CG 4.1Å; W228-R233 HydrophobicContact CZ3-CG 4.24Å
229Y97.5Very high95.7Very high128 Ų12855.5 Ų55.550%0.50227%0.27SS..Iπ-helixtrans-64.1-50.2-177.7-178.2-87.9000111L225 L226 T231 R233 Y234L225-Y229 VanDerWaalsContact O-CB 3.24Å; L225-Y229 WeakPolarHBondContact O-CB 3.4Å; L225-Y229 PolarHBondContact O-N 2.67Å; L226-Y229 PolarHBondContact O-N 3.05Å; Y229-T231 PolarHBondContact O-N 2.79Å; Y229-R233 HydrophobicContact CD2-CB 3.65Å; Y229-R233 HydrophobicContact CD2-CG 3.8Å; Y229-R233 HydrophobicContact CE2-CB 3.8Å; Y229-R233 HydrophobicContact CE2-CG 4.24Å; Y229-R233 HydrophobicContact CG-CB 4.04Å; Y229-R233 HydrophobicContact CG-CG 4.38Å; Y229-R233 CarbonylContact O-C 3.58Å; Y229-R233 VanDerWaalsContact O-CA 3.28Å; Y229-R233 WeakPolarHBondContact O-CA 3.41Å; Y229-R233 VanDerWaalsContact O-CB 3.22Å; Y229-R233 WeakPolarHBondContact O-CB 3.49Å; Y229-R233 PolarHBondContact O-N 2.96Å; Y229-Y234 PolarHBondContact O-N 3.02Å; Y229-Y234 VanDerWaalsContact O-N 3.17Å
230L97.5Very high95.4Very high86 Ų8661.3 Ų61.345%0.4529%0.293SS..Iπ-helixtrans-59.4-37.4179.6-69.3177.8000111.9L226 W235L226-L230 HydrophobicContact CD1-CD1 3.9Å; L226-L230 HydrophobicContact CD1-CD2 4.3Å; L226-L230 HydrophobicContact CD1-CG 3.85Å; L226-L230 HydrophobicContact CD2-CD1 4.4Å; L226-L230 HydrophobicContact CG-CD1 3.77Å; L226-L230 HydrophobicContact CG-CG 4.13Å; L226-L230 WeakPolarHBondContact O-CB 3.47Å; L226-L230 VanDerWaalsContact O-CG 3.27Å; L226-L230 WeakPolarHBondContact O-CG 3.44Å; L226-L230 PolarHBondContact O-N 3.43Å; L230-W235 VanDerWaalsContact O-CB 3.25Å; L230-W235 WeakPolarHBondContact O-CB 2.92Å; L230-W235 PolarHBondContact O-N 2.87Å
231T96.9Very high95.2Very high6 Ų661.6 Ų61.64%0.03730%0.295CS..Iπ-helixtrans-77.4-67177.250.40000111.7V100 V104 G227 W228 Y229 W235 Y236V100-T231 HydrophobicContact CG1-CG2 3.98Å; V104-T231 HydrophobicContact CG2-CG2 4.5Å; G227-T231 WeakPolarHBondContact O-CB 3.4Å; G227-T231 WeakPolarHBondContact O-CG2 3.27Å; G227-T231 PolarHBondContact O-N 3.22Å; G227-T231 PolarHBondContact O-OG1 3.42Å; W228-T231 PolarHBondContact O-N 2.93Å; W228-T231 PolarHBondContact O-OG1 3.34Å; W228-T231 VanDerWaalsContact O-OG1 3.07Å; Y229-T231 PolarHBondContact O-N 2.79Å; T231-W235 PolarHBondContact O-N 2.72Å; T231-Y236 WeakPolarHBondContact O-CB 3.49Å; T231-Y236 VanDerWaalsContact O-CG 3.24Å; T231-Y236 PolarHBondContact O-N 3.13Å
232Y95.4Very high94.8Very high4 Ų461.7 Ų61.72%0.01630%0.296CS..Iπ-helixtrans-82.5-20.3-169.5-74.1-93.5000115.4L165 E168 E169 W228 Y236 L244 P245 R248L165-Y232 HydrophobicContact CD2-CD2 4.22Å; L165-Y232 HydrophobicContact CD2-CE2 3.31Å; E168-Y232 HydrophobicContact CB-CD1 3.44Å; E168-Y232 VanDerWaalsContact CB-CD1 3.44Å; E168-Y232 HydrophobicContact CB-CE1 3.39Å; E168-Y232 HydrophobicContact CB-CG 4.08Å; E168-Y232 HydrophobicContact CG-CD1 3.62Å; E168-Y232 HydrophobicContact CG-CD2 4.37Å; E168-Y232 HydrophobicContact CG-CE1 4.06Å; E168-Y232 HydrophobicContact CG-CG 3.78Å; E169-Y232 WeakPolarHBondContact CG-OH 3.48Å; E169-Y232 VanDerWaalsContact OE1-CE1 3.23Å; E169-Y232 WeakPolarHBondContact OE1-CE1 3.41Å; E169-Y232 VanDerWaalsContact OE1-CZ 3.29Å; E169-Y232 PolarHBondContact OE1-OH 3.48Å; W228-Y232 AromaticContact CD1-CD2 3.83Å; W228-Y232 PolarHBondContact O-N 3.02Å; Y232-Y236 AromaticContact CD1-CD2 3.91Å; Y232-Y236 HydrophobicContact CD1-CD2 3.91Å; Y232-Y236 HydrophobicContact CD1-CE2 4.34Å; Y232-Y236 HydrophobicContact CD2-CD2 4.34Å; Y232-Y236 HydrophobicContact CD2-CE2 4.25Å; Y232-Y236 AromaticContact CE1-CD2 3.93Å; Y232-Y236 HydrophobicContact CE1-CD2 3.93Å; Y232-Y236 AromaticContact CE1-CE2 3.98Å; Y232-Y236 HydrophobicContact CE1-CE2 3.98Å; Y232-Y236 HydrophobicContact CE2-CD2 4.29Å; Y232-Y236 AromaticContact CE2-CE2 3.82Å; Y232-Y236 HydrophobicContact CE2-CE2 3.82Å; Y232-Y236 HydrophobicContact CG-CD2 4.14Å; Y232-Y236 HydrophobicContact CG-CE2 4.47Å; Y232-Y236 AromaticContact CZ-CE2 3.71Å; Y232-L244 HydrophobicContact CD1-CD2 4.3Å; Y232-L244 WeakPolarHBondContact O-CD2 3.3Å; Y232-P245 HydrophobicContact CE1-CG 4.39Å; Y232-R248 PolarHBondContact O-NH1 2.91Å; Y232-R248 VanDerWaalsContact O-NH1 3.14Å
233R94.1Very high94.5Very high74 Ų7459.9 Ų59.928%0.27928%0.281SS..Iπ-helixtrans-106.3-13.1-178.1-55.7-59-173.3156.64113.5E168 W228 Y229 Q237E168-R233 IonicContact OE1-CZ 3.78Å; E168-R233 IonicContact OE1-NE 3.62Å; E168-R233 IonicContact OE1-NH2 3.67Å; W228-R233 HydrophobicContact CH2-CG 3.97Å; W228-R233 VanDerWaalsContact CH2-NE 3.34Å; W228-R233 HydrophobicContact CZ2-CG 4.1Å; W228-R233 HydrophobicContact CZ3-CG 4.24Å; Y229-R233 HydrophobicContact CD2-CB 3.65Å; Y229-R233 HydrophobicContact CD2-CG 3.8Å; Y229-R233 HydrophobicContact CE2-CB 3.8Å; Y229-R233 HydrophobicContact CE2-CG 4.24Å; Y229-R233 HydrophobicContact CG-CB 4.04Å; Y229-R233 HydrophobicContact CG-CG 4.38Å; Y229-R233 CarbonylContact O-C 3.58Å; Y229-R233 VanDerWaalsContact O-CA 3.28Å; Y229-R233 WeakPolarHBondContact O-CA 3.41Å; Y229-R233 VanDerWaalsContact O-CB 3.22Å; Y229-R233 WeakPolarHBondContact O-CB 3.49Å; Y229-R233 PolarHBondContact O-N 2.96Å; R233-Q237 PolarHBondContact O-NE2 3.48Å; R233-Q237 PolarHBondContact O-OE1 2.95Å
234Y94.2Very high94.1Very high140 Ų14058.3 Ų58.355%0.54927%0.27SS..Iπ-helixtrans-127.2-64.7-179.8-175.2-105.1000112.9Y229Y229-Y234 PolarHBondContact O-N 3.02Å; Y229-Y234 VanDerWaalsContact O-N 3.17Å
235W96.3Very high93.5Very high107 Ų10758.4 Ų58.441%0.40527%0.271SS..G310 helixtrans-71.4-44.4-171.4-178.328000113.1V100 L230 T231 Q237 K238 S241V100-W235 HydrophobicContact CB-CZ3 4.31Å; V100-W235 HydrophobicContact CG1-CE3 4.3Å; V100-W235 HydrophobicContact CG1-CH2 4.38Å; V100-W235 HydrophobicContact CG1-CZ3 3.53Å; V100-W235 HydrophobicContact CG2-CH2 3.76Å; V100-W235 HydrophobicContact CG2-CZ3 3.76Å; L230-W235 VanDerWaalsContact O-CB 3.25Å; L230-W235 WeakPolarHBondContact O-CB 2.92Å; L230-W235 PolarHBondContact O-N 2.87Å; T231-W235 PolarHBondContact O-N 2.72Å; W235-Q237 PolarHBondContact O-N 3.17Å; W235-K238 VanDerWaalsContact O-CB 3.31Å; W235-K238 WeakPolarHBondContact O-CB 3.19Å; W235-K238 WeakPolarHBondContact O-CG 3.22Å; W235-K238 PolarHBondContact O-N 2.7Å; W235-S241 WeakPolarHBondContact O-CB 3.18Å; W235-S241 PolarHBondContact O-OG 3.09Å
236Y95Very high92.2Very high4 Ų459.2 Ų59.22%0.01628%0.275CS..G310 helixtrans-68.4-8.1-175.6-72.74.9000114.3A97 V100 T231 Y232 K238 S241 P242 G243A97-Y236 VanDerWaalsContact CA-OH 3.25Å; A97-Y236 WeakPolarHBondContact CA-OH 3.42Å; A97-Y236 HydrophobicContact CB-CE2 3.77Å; A97-Y236 PolarHBondContact O-OH 3.36Å; V100-Y236 WeakPolarHBondContact CB-OH 3.42Å; V100-Y236 HydrophobicContact CG1-CE1 4.44Å; V100-Y236 WeakPolarHBondContact CG1-OH 3.46Å; T231-Y236 WeakPolarHBondContact O-CB 3.49Å; T231-Y236 VanDerWaalsContact O-CG 3.24Å; T231-Y236 PolarHBondContact O-N 3.13Å; Y232-Y236 AromaticContact CD1-CD2 3.91Å; Y232-Y236 HydrophobicContact CD1-CD2 3.91Å; Y232-Y236 HydrophobicContact CD1-CE2 4.34Å; Y232-Y236 HydrophobicContact CD2-CD2 4.34Å; Y232-Y236 HydrophobicContact CD2-CE2 4.25Å; Y232-Y236 AromaticContact CE1-CD2 3.93Å; Y232-Y236 HydrophobicContact CE1-CD2 3.93Å; Y232-Y236 AromaticContact CE1-CE2 3.98Å; Y232-Y236 HydrophobicContact CE1-CE2 3.98Å; Y232-Y236 HydrophobicContact CE2-CD2 4.29Å; Y232-Y236 AromaticContact CE2-CE2 3.82Å; Y232-Y236 HydrophobicContact CE2-CE2 3.82Å; Y232-Y236 HydrophobicContact CG-CD2 4.14Å; Y232-Y236 HydrophobicContact CG-CE2 4.47Å; Y232-Y236 AromaticContact CZ-CE2 3.71Å; Y236-K238 VanDerWaalsContact C-N 3.33Å; Y236-S241 VanDerWaalsContact CA-OG 3.23Å; Y236-S241 WeakPolarHBondContact CA-OG 3.4Å; Y236-S241 PolarHBondContact O-OG 2.66Å; Y236-P242 HydrophobicContact CD1-CB 4.31Å; Y236-P242 HydrophobicContact CD1-CG 4.14Å; Y236-P242 HydrophobicContact CE1-CB 3.98Å; Y236-P242 HydrophobicContact CE1-CG 3.54Å; Y236-G243 WeakPolarHBondContact CB-O 3.36Å; Y236-G243 WeakPolarHBondContact CD2-O 3.08Å; Y236-G243 CarbonylContact O-C 3.51Å; Y236-G243 VanDerWaalsContact O-CA 3.25Å; Y236-G243 WeakPolarHBondContact O-CA 3.4Å
237Q91.8Very high90.8Very high98 Ų9856.9 Ų56.946%0.45826%0.262SS..G310 helixtrans-82.9-11.2170.8-67.5170.615.300112.6R233 W235 L244R233-Q237 PolarHBondContact O-NE2 3.48Å; R233-Q237 PolarHBondContact O-OE1 2.95Å; W235-Q237 PolarHBondContact O-N 3.17Å; Q237-L244 HydrophobicContact CG-CD1 3.9Å
238K92.3Very high88.9Confident106 Ų10658.1 Ų58.146%0.46126%0.264SS..SBendtrans-88.3149.8-178.2-54.5-59.3-176.6-178.60111W235 Y236 F240 S241W235-K238 VanDerWaalsContact O-CB 3.31Å; W235-K238 WeakPolarHBondContact O-CB 3.19Å; W235-K238 WeakPolarHBondContact O-CG 3.22Å; W235-K238 PolarHBondContact O-N 2.7Å; Y236-K238 VanDerWaalsContact C-N 3.33Å; K238-F240 VanDerWaalsContact C-N 3.32Å; K238-F240 PolarHBondContact O-N 2.86Å; K238-S241 VanDerWaalsContact O-CB 3.3Å; K238-S241 WeakPolarHBondContact O-CB 3.25Å; K238-S241 PolarHBondContact O-N 2.88Å; K238-S241 PolarHBondContact O-OG 3.37Å
239P87.3Confident87Confident108 Ų10861.2 Ų61.270%0.70128%0.279SS*.THydrogen-bonded Turntrans-64.2-30.8-174.923.1-33.7000114.5S241P239-S241 PolarHBondContact O-N 3.09Å
240F86.9Confident85.1Confident197 Ų19759.8 Ų59.886%0.86428%0.277SS*.THydrogen-bonded Turntrans-85.69.7-179.9-56.5-71.7000114K238K238-F240 VanDerWaalsContact C-N 3.32Å; K238-F240 PolarHBondContact O-N 2.86Å
241S92.1Very high83.1Confident7 Ų762.4 Ų62.45%0.04929%0.285CS..SBendtrans-97.2169.4-17976.50000111.5W235 Y236 K238 P239 G243W235-S241 WeakPolarHBondContact O-CB 3.18Å; W235-S241 PolarHBondContact O-OG 3.09Å; Y236-S241 VanDerWaalsContact CA-OG 3.23Å; Y236-S241 WeakPolarHBondContact CA-OG 3.4Å; Y236-S241 PolarHBondContact O-OG 2.66Å; K238-S241 VanDerWaalsContact O-CB 3.3Å; K238-S241 WeakPolarHBondContact O-CB 3.25Å; K238-S241 PolarHBondContact O-N 2.88Å; K238-S241 PolarHBondContact O-OG 3.37Å; P239-S241 PolarHBondContact O-N 3.09Å; S241-G243 PolarHBondContact O-N 2.97Å; S241-G243 VanDerWaalsContact O-N 3.08Å; S241-G243 PolarHBondContact OG-N 3.29Å
242P90.3Very high81.1Confident2 Ų265.4 Ų65.41%0.01330%0.298CS..  trans-51.5-25.1165.4-29.337.3000113.9K93 R94 L96 A97 V100 Y236K93-P242 VanDerWaalsContact CB-O 3.25Å; K93-P242 WeakPolarHBondContact CB-O 3.13Å; K93-P242 WeakPolarHBondContact CD-O 3.44Å; K93-P242 WeakPolarHBondContact CG-O 3.3Å; K93-P242 WeakPolarHBondContact O-CB 3.1Å; R94-P242 VanDerWaalsContact NH2-C 3.31Å; R94-P242 PolarHBondContact NH2-O 3.01Å; L96-P242 HydrophobicContact CB-CG 4.36Å; L96-P242 HydrophobicContact CD2-CG 3.92Å; L96-P242 HydrophobicContact CG-CG 3.91Å; A97-P242 HydrophobicContact CB-CB 3.75Å; A97-P242 HydrophobicContact CB-CG 4.36Å; V100-P242 HydrophobicContact CG2-CG 4.42Å; Y236-P242 HydrophobicContact CD1-CB 4.31Å; Y236-P242 HydrophobicContact CD1-CG 4.14Å; Y236-P242 HydrophobicContact CE1-CB 3.98Å; Y236-P242 HydrophobicContact CE1-CG 3.54Å
243G89.6Confident79.2Confident7 Ų771.9 Ų71.97%0.07233%0.329CS..  trans87.4178.1-177.900000113.2R94 Y236 S241R94-G243 PolarHBondContact NH2-O 3.27Å; Y236-G243 WeakPolarHBondContact CB-O 3.36Å; Y236-G243 WeakPolarHBondContact CD2-O 3.08Å; Y236-G243 CarbonylContact O-C 3.51Å; Y236-G243 VanDerWaalsContact O-CA 3.25Å; Y236-G243 WeakPolarHBondContact O-CA 3.4Å; S241-G243 PolarHBondContact O-N 2.97Å; S241-G243 VanDerWaalsContact O-N 3.08Å; S241-G243 PolarHBondContact OG-N 3.29Å
244L89.6Confident77.2Confident5 Ų576.5 Ų76.53%0.02635%0.351CS..  trans-93.9155.7175-66.5168.8000111.9Y232 Q237 R248 E252Y232-L244 HydrophobicContact CD1-CD2 4.3Å; Y232-L244 WeakPolarHBondContact O-CD2 3.3Å; Q237-L244 HydrophobicContact CG-CD1 3.9Å; L244-R248 HydrophobicContact CB-CB 3.8Å; L244-R248 HydrophobicContact CD1-CB 3.94Å; L244-R248 HydrophobicContact CD1-CG 4.44Å; L244-R248 HydrophobicContact CG-CB 4.47Å; L244-E252 WeakPolarHBondContact CD1-OE1 3.49Å
245P85.6Confident75.2Confident2 Ų276.8 Ų76.81%0.01336%0.357CS..  trans-58.1155.6171.7-25.135.8000113E168 Y232 Q247 R248E168-P245 WeakPolarHBondContact O-CG 3.2Å; Y232-P245 HydrophobicContact CE1-CG 4.39Å; P245-Q247 VanDerWaalsContact C-N 3.29Å; P245-Q247 PolarHBondContact O-N 2.9Å; P245-R248 PolarHBondContact O-N 3.44Å
246L71.3Confident73.1Confident41 Ų4179.1 Ų79.122%0.21538%0.377CS..Hα-helixtrans-50.1-37.6-163.9-168.162.8000115.7V175 L176 R248 Q249 Q250V175-L246 HydrophobicContact CG2-CB 4.05Å; V175-L246 HydrophobicContact CG2-CD2 3.79Å; V175-L246 HydrophobicContact CG2-CG 3.95Å; L176-L246 HydrophobicContact CD2-CD2 4.49Å; L246-R248 VanDerWaalsContact C-N 3.28Å; L246-R248 PolarHBondContact O-N 2.03Å; L246-Q249 PolarHBondContact O-N 2.68Å; L246-Q250 PolarHBondContact O-N 2.81Å
247Q68Low70.9Confident47 Ų4785.6 Ų85.622%0.2243%0.431CS..Hα-helixtrans-60.4-35.2179.3-171.1-172.615.100112.7S171 T174 V175 P245S171-Q247 PolarHBondContact O-OE1 3.37Å; T174-Q247 VanDerWaalsContact OG1-CG 3.24Å; T174-Q247 WeakPolarHBondContact OG1-CG 3.01Å; T174-Q247 PolarHBondContact OG1-NE2 3.26Å; T174-Q247 PolarHBondContact OG1-OE1 2.91Å; V175-Q247 HydrophobicContact CG1-CB 4.31Å; V175-Q247 HydrophobicContact CG1-CG 4.21Å; V175-Q247 HydrophobicContact CG2-CB 4.44Å; P245-Q247 VanDerWaalsContact C-N 3.29Å; P245-Q247 PolarHBondContact O-N 2.9Å
248R56.8Low69.8Low34 Ų3485 Ų8513%0.12843%0.429CS..Hα-helixtrans-78.8-36.9-178.1-75-168.9-174.4171.60.4112.5E168 Y232 L244 P245 L246 Q250 K251 E252E168-R248 IonicContact OE1-CZ 3.46Å; E168-R248 IonicContact OE1-NH1 3.57Å; E168-R248 IonicContact OE1-NH2 2.66Å; E168-R248 PolarHBondContact OE1-NH2 3.2Å; E168-R248 IonicContact OE2-CZ 3.24Å; E168-R248 VanDerWaalsContact OE2-CZ 3.24Å; E168-R248 IonicContact OE2-NE 3.81Å; E168-R248 IonicContact OE2-NH1 3.85Å; E168-R248 IonicContact OE2-NH2 2.64Å; E168-R248 PolarHBondContact OE2-NH2 3.29Å; Y232-R248 PolarHBondContact O-NH1 2.91Å; Y232-R248 VanDerWaalsContact O-NH1 3.14Å; L244-R248 HydrophobicContact CB-CB 3.8Å; L244-R248 HydrophobicContact CD1-CB 3.94Å; L244-R248 HydrophobicContact CD1-CG 4.44Å; L244-R248 HydrophobicContact CG-CB 4.47Å; P245-R248 PolarHBondContact O-N 3.44Å; L246-R248 VanDerWaalsContact C-N 3.28Å; L246-R248 PolarHBondContact O-N 2.03Å; R248-Q250 VanDerWaalsContact C-N 3.33Å; R248-Q250 PolarHBondContact O-N 2.95Å; R248-K251 PolarHBondContact O-N 3.49Å; R248-K251 VanDerWaalsContact O-N 3.13Å; R248-E252 PolarHBondContact O-N 3.39Å
249Q57.5Low68.6Low82 Ų8283.8 Ų83.838%0.38343%0.428SS..Hα-helixtrans-62.2-39.5179.7-63.3-159.5-61.400112.2L246 K251 E252 Q253L246-Q249 PolarHBondContact O-N 2.68Å; Q249-K251 VanDerWaalsContact C-N 3.31Å; Q249-K251 PolarHBondContact O-N 2.84Å; Q249-E252 PolarHBondContact O-N 3.46Å; Q249-Q253 WeakPolarHBondContact O-CB 3.42Å; Q249-Q253 WeakPolarHBondContact O-CG 2.99Å; Q249-Q253 PolarHBondContact O-N 3.06Å
250Q58.4Low67.6Low98 Ų9882.5 Ų82.546%0.45841%0.413SS..Hα-helixtrans-66.5-31.5176.4-71.2-172.9-31.600113.1L246 R248 K254L246-Q250 PolarHBondContact O-N 2.81Å; R248-Q250 VanDerWaalsContact C-N 3.33Å; R248-Q250 PolarHBondContact O-N 2.95Å; Q250-K254 WeakPolarHBondContact O-CB 3.39Å; Q250-K254 WeakPolarHBondContact O-CG 3.42Å; Q250-K254 PolarHBondContact O-N 3.35Å
251K55.6Low66.5Low142 Ų14275.8 Ų75.862%0.61739%0.386SS*.Hα-helixtrans-75.9-41177.7-165.3178-180-177.40111.5R248 Q249 K254 Q255R248-K251 PolarHBondContact O-N 3.49Å; R248-K251 VanDerWaalsContact O-N 3.13Å; Q249-K251 VanDerWaalsContact C-N 3.31Å; Q249-K251 PolarHBondContact O-N 2.84Å; K251-K254 PolarHBondContact O-N 3.19Å; K251-Q255 WeakPolarHBondContact O-CG 3.45Å; K251-Q255 PolarHBondContact O-N 3.02Å
252E54.9Low64.9Low69 Ų6980.1 Ų80.132%0.32241%0.407SS..Hα-helixtrans-65.3-44.2174.7-73.1173171.900111.3L244 R248 Q249 K254 Q255 L256L244-E252 WeakPolarHBondContact CD1-OE1 3.49Å; R248-E252 PolarHBondContact O-N 3.39Å; Q249-E252 PolarHBondContact O-N 3.46Å; E252-K254 VanDerWaalsContact C-N 3.32Å; E252-K254 PolarHBondContact O-N 3.36Å; E252-Q255 PolarHBondContact O-N 2.9Å; E252-L256 WeakPolarHBondContact O-CD1 3.31Å; E252-L256 PolarHBondContact O-N 3.25Å; E252-L256 VanDerWaalsContact O-N 3.12Å
253Q54.8Low63.2Low139 Ų13985.3 Ų85.365%0.6543%0.433SS*.Hα-helixtrans-61.1-37.7175.6-78.7-179.4-29.600113Q249 Q255 L256 A257Q249-Q253 WeakPolarHBondContact O-CB 3.42Å; Q249-Q253 WeakPolarHBondContact O-CG 2.99Å; Q249-Q253 PolarHBondContact O-N 3.06Å; Q253-Q255 VanDerWaalsContact C-N 3.29Å; Q253-Q255 PolarHBondContact O-N 3.49Å; Q253-L256 PolarHBondContact O-N 3.01Å; Q253-A257 WeakPolarHBondContact O-CB 3.39Å; Q253-A257 PolarHBondContact O-N 3.46Å
254K53.7Low61.3Low172 Ų17290.9 Ų90.975%0.74846%0.459SS*.Hα-helixtrans-72.3-16.9174.5-80.2-175.4177.2-1730114.5Q250 K251 E252Q250-K254 WeakPolarHBondContact O-CB 3.39Å; Q250-K254 WeakPolarHBondContact O-CG 3.42Å; Q250-K254 PolarHBondContact O-N 3.35Å; K251-K254 PolarHBondContact O-N 3.19Å; E252-K254 VanDerWaalsContact C-N 3.32Å; E252-K254 PolarHBondContact O-N 3.36Å
255Q52.2Low59.1Low146 Ų14697.5 Ų97.568%0.68249%0.492SS*.Hα-helixtrans-91.4-17.9175.6-75.6178.2-31.800112.4K251 E252 Q253K251-Q255 WeakPolarHBondContact O-CG 3.45Å; K251-Q255 PolarHBondContact O-N 3.02Å; E252-Q255 PolarHBondContact O-N 2.9Å; Q253-Q255 VanDerWaalsContact C-N 3.29Å; Q253-Q255 PolarHBondContact O-N 3.49Å
256L51.8Low56.9Low156 Ų156105.4 Ų105.482%0.81753%0.532SS*.Hα-helixtrans-99.1-8179.9-84.5149.6000113.7E252 Q253E252-L256 WeakPolarHBondContact O-CD1 3.31Å; E252-L256 PolarHBondContact O-N 3.25Å; E252-L256 VanDerWaalsContact O-N 3.12Å; Q253-L256 PolarHBondContact O-N 3.01Å
257A47.6Very low55.6Low139 Ų139111.3 Ų111.3100%1.14956%0.561SS**  trans-109.90176.300000110.2Q253Q253-A257 WeakPolarHBondContact O-CB 3.39Å; Q253-A257 PolarHBondContact O-N 3.46Å

Retrieved 257 of 257 residues in 152.8 ms (Link to these results)

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