A0A5K4F4Y1_SCHMA Loading...

SOCS box domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F4Y1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 354 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.2Very low54Low190 Ų190100.1 Ų100.194%0.93655%0.546SS*.  0-51.20-78.9-141.2-70.200112.3E3 L4 L5M1-E3 PolarHBondContact O-N 3.43Å; M1-L4 PolarHBondContact O-N 3.12Å; M1-L5 WeakPolarHBondContact O-CG 3.31Å; M1-L5 PolarHBondContact O-N 3.12Å
2A41.8Very low56.5Low72 Ų7294.1 Ų94.160%0.59551%0.513SS*.Hα-helixtrans-58-46.6177.200000113.3L4 L5 E6A2-L4 PolarHBondContact O-N 3.26Å; A2-L5 PolarHBondContact O-N 3.31Å; A2-E6 PolarHBondContact O-N 3.25Å
3E42.3Very low58.7Low172 Ų17292.2 Ų92.280%0.80451%0.51SS*.Hα-helixtrans-63.2-36.7178.2-66.8176.5166.300113.5M1 G7M1-E3 PolarHBondContact O-N 3.43Å; E3-G7 PolarHBondContact O-N 3Å
4L42.5Very low60.9Low119 Ų11993.1 Ų93.162%0.62351%0.507SS*.Hα-helixtrans-65.4-47.5174.4-75.3165.9000110.3M1 A2 E6 G7 F8M1-L4 PolarHBondContact O-N 3.12Å; A2-L4 PolarHBondContact O-N 3.26Å; L4-E6 PolarHBondContact O-N 2.85Å; L4-G7 PolarHBondContact O-N 3.49Å; L4-F8 WeakPolarHBondContact O-CD2 3.32Å; L4-F8 PolarHBondContact O-N 3.2Å
5L43.5Very low62.9Low121 Ų12186.9 Ų86.963%0.63447%0.473SS*.Hα-helixtrans-63.4-38.4178.4-70170.1000112.7M1 A2 S9M1-L5 WeakPolarHBondContact O-CG 3.31Å; M1-L5 PolarHBondContact O-N 3.12Å; A2-L5 PolarHBondContact O-N 3.31Å; L5-S9 WeakPolarHBondContact O-CB 3.47Å; L5-S9 PolarHBondContact O-N 3.44Å
6E50.2Low64.6Low147 Ų14783.9 Ų83.969%0.68746%0.455SS*.Hα-helixtrans-65.7-42.6173.4-79.9-172.2164.300112A2 L4 S9 N10A2-E6 PolarHBondContact O-N 3.25Å; L4-E6 PolarHBondContact O-N 2.85Å; E6-S9 PolarHBondContact O-N 3.19Å; E6-N10 WeakPolarHBondContact O-CB 3.28Å; E6-N10 PolarHBondContact O-N 3.33Å
7G55Low66.2Low36 Ų3684.2 Ų84.237%0.37145%0.453SS..Hα-helixtrans-57.8-51174.600000112.5E3 L4 S9 N10 S11E3-G7 PolarHBondContact O-N 3Å; L4-G7 PolarHBondContact O-N 3.49Å; G7-S9 PolarHBondContact O-N 2.9Å; G7-N10 PolarHBondContact O-N 2.87Å; G7-S11 PolarHBondContact O-N 3.04Å; G7-S11 PolarHBondContact O-OG 2.99Å
8F52.7Low67.8Low81 Ų8179.8 Ų79.836%0.35543%0.429SS..Hα-helixtrans-58.4-46.2176.7-84.6-71.3000112.7L4 N10 S11 L12 F38L4-F8 WeakPolarHBondContact O-CD2 3.32Å; L4-F8 PolarHBondContact O-N 3.2Å; F8-N10 VanDerWaalsContact C-N 3.26Å; F8-N10 PolarHBondContact O-N 3.46Å; F8-S11 PolarHBondContact O-N 2.96Å; F8-L12 WeakPolarHBondContact O-CB 3.47Å; F8-L12 PolarHBondContact O-N 2.79Å; F8-F38 HydrophobicContact CE1-CE1 4.33Å; F8-F38 HydrophobicContact CE1-CE2 4.25Å; F8-F38 AromaticContact CE1-CZ 3.46Å; F8-F38 HydrophobicContact CE1-CZ 3.46Å; F8-F38 VanDerWaalsContact CE1-CZ 3.46Å; F8-F38 AromaticContact CZ-CE1 3.88Å; F8-F38 HydrophobicContact CZ-CE1 3.88Å; F8-F38 AromaticContact CZ-CZ 3.38Å; F8-F38 HydrophobicContact CZ-CZ 3.38Å
9S63.7Low69.1Low63 Ų6375.6 Ų75.644%0.44141%0.407SS..Hα-helixtrans-60.7-37.8179.2-171.80000111.7L5 E6 G7 S13L5-S9 WeakPolarHBondContact O-CB 3.47Å; L5-S9 PolarHBondContact O-N 3.44Å; E6-S9 PolarHBondContact O-N 3.19Å; G7-S9 PolarHBondContact O-N 2.9Å; S9-S13 VanDerWaalsContact O-CB 3.27Å; S9-S13 WeakPolarHBondContact O-CB 3.37Å; S9-S13 PolarHBondContact O-N 2.82Å; S9-S13 VanDerWaalsContact O-N 3.13Å
10N80.6Confident70.3Confident84 Ų8474.9 Ų74.945%0.44940%0.4SS..Hα-helixtrans-71.3-44.4179.2-164.514.5000112.3E6 G7 F8 S13 K14E6-N10 WeakPolarHBondContact O-CB 3.28Å; E6-N10 PolarHBondContact O-N 3.33Å; G7-N10 PolarHBondContact O-N 2.87Å; F8-N10 VanDerWaalsContact C-N 3.26Å; F8-N10 PolarHBondContact O-N 3.46Å; N10-S13 PolarHBondContact O-N 2.76Å; N10-K14 PolarHBondContact ND2-NZ 3.26Å; N10-K14 VanDerWaalsContact O-CG 3.28Å; N10-K14 WeakPolarHBondContact O-CG 3.49Å; N10-K14 PolarHBondContact O-N 2.9Å; N10-K14 VanDerWaalsContact OD1-CE 3.28Å; N10-K14 WeakPolarHBondContact OD1-CE 3.25Å
11S81.8Confident71.3Confident16 Ų1675.5 Ų75.511%0.11240%0.403CS..Hα-helixtrans-68.2-41.6179.8-680000112.7G7 F8 S13 K14 A15 V30 E34G7-S11 PolarHBondContact O-N 3.04Å; G7-S11 PolarHBondContact O-OG 2.99Å; F8-S11 PolarHBondContact O-N 2.96Å; S11-S13 PolarHBondContact O-N 3.17Å; S11-K14 PolarHBondContact O-N 3.49Å; S11-A15 WeakPolarHBondContact O-CB 3.46Å; S11-A15 PolarHBondContact O-N 3.32Å; S11-V30 WeakPolarHBondContact O-CG1 3.38Å; S11-E34 VanDerWaalsContact CB-CD 3.45Å; S11-E34 WeakPolarHBondContact CB-OE1 3.48Å; S11-E34 PolarHBondContact OG-OE1 3.12Å
12L83.4Confident73.9Confident28 Ų2867.1 Ų67.115%0.14736%0.362CS..Hα-helixtrans-59.4-48.1172.918061.4000111.2F8 K14 A15 E16 L48 L57F8-L12 WeakPolarHBondContact O-CB 3.47Å; F8-L12 PolarHBondContact O-N 2.79Å; L12-K14 VanDerWaalsContact C-N 3.33Å; L12-K14 PolarHBondContact O-N 3.19Å; L12-A15 PolarHBondContact O-N 2.93Å; L12-E16 HydrophobicContact CD1-CG 4.36Å; L12-E16 WeakPolarHBondContact O-CG 3.12Å; L12-E16 PolarHBondContact O-N 3.42Å; L12-L48 HydrophobicContact CB-CD2 4.35Å; L12-L48 HydrophobicContact CD1-CB 4.25Å; L12-L48 HydrophobicContact CD1-CD2 4.48Å; L12-L57 HydrophobicContact CD1-CD2 3.8Å
13S85.4Confident76.5Confident69 Ų6965 Ų6548%0.48334%0.342SS..Hα-helixtrans-59-42.1177.7-179.50000112.5S9 N10 S11 E16 Q17S9-S13 VanDerWaalsContact O-CB 3.27Å; S9-S13 WeakPolarHBondContact O-CB 3.37Å; S9-S13 PolarHBondContact O-N 2.82Å; S9-S13 VanDerWaalsContact O-N 3.13Å; N10-S13 PolarHBondContact O-N 2.76Å; S11-S13 PolarHBondContact O-N 3.17Å; S13-E16 PolarHBondContact O-N 3.01Å; S13-Q17 WeakPolarHBondContact O-CB 3.48Å; S13-Q17 PolarHBondContact O-N 3.31Å
14K90Very high79Confident106 Ų10657.5 Ų57.546%0.46131%0.309SS..Hα-helixtrans-64.7-42.1175.2-72.4170.1-178.11700112.3N10 S11 L12 Q17 A18 V30N10-K14 PolarHBondContact ND2-NZ 3.26Å; N10-K14 VanDerWaalsContact O-CG 3.28Å; N10-K14 WeakPolarHBondContact O-CG 3.49Å; N10-K14 PolarHBondContact O-N 2.9Å; N10-K14 VanDerWaalsContact OD1-CE 3.28Å; N10-K14 WeakPolarHBondContact OD1-CE 3.25Å; S11-K14 PolarHBondContact O-N 3.49Å; L12-K14 VanDerWaalsContact C-N 3.33Å; L12-K14 PolarHBondContact O-N 3.19Å; K14-Q17 PolarHBondContact O-N 3.45Å; K14-A18 PolarHBondContact O-N 3.17Å; K14-V30 HydrophobicContact CB-CG1 4.27Å; K14-V30 HydrophobicContact CB-CG2 3.77Å
15A90.8Very high81.5Confident0 Ų055.9 Ų55.90%030%0.301CS..Hα-helixtrans-63.6-47.1176.600000111.2S11 L12 Q17 A18 I19 L27 V30 L48 L57S11-A15 WeakPolarHBondContact O-CB 3.46Å; S11-A15 PolarHBondContact O-N 3.32Å; L12-A15 PolarHBondContact O-N 2.93Å; A15-Q17 VanDerWaalsContact C-N 3.29Å; A15-Q17 PolarHBondContact O-N 3.33Å; A15-A18 WeakPolarHBondContact O-CB 3.35Å; A15-A18 PolarHBondContact O-N 3.05Å; A15-I19 WeakPolarHBondContact O-CG1 3.34Å; A15-I19 PolarHBondContact O-N 3.01Å; A15-L27 HydrophobicContact CB-CD1 3.96Å; A15-V30 HydrophobicContact CB-CG1 3.97Å; A15-L48 HydrophobicContact CB-CD1 4.41Å; A15-L57 HydrophobicContact CB-CD1 3.74Å; A15-L57 HydrophobicContact CB-CD2 4.04Å
16E90.2Very high84Confident38 Ų3855.9 Ų55.918%0.17830%0.296CS..Hα-helixtrans-58.6-41.2174.6-73.6-178.2-17800111.5L12 S13 I19 K20 F60L12-E16 HydrophobicContact CD1-CG 4.36Å; L12-E16 WeakPolarHBondContact O-CG 3.12Å; L12-E16 PolarHBondContact O-N 3.42Å; S13-E16 PolarHBondContact O-N 3.01Å; E16-I19 PolarHBondContact O-N 3.31Å; E16-K20 VanDerWaalsContact O-CG 3.32Å; E16-K20 WeakPolarHBondContact O-CG 3.47Å; E16-K20 PolarHBondContact O-N 3.45Å; E16-F60 HydrophobicContact CB-CD1 4.26Å; E16-F60 HydrophobicContact CB-CE1 3.7Å; E16-F60 HydrophobicContact CB-CZ 4.15Å; E16-F60 HydrophobicContact CG-CD1 3.97Å; E16-F60 HydrophobicContact CG-CE1 3.82Å; E16-F60 HydrophobicContact CG-CG 4.48Å; E16-F60 HydrophobicContact CG-CZ 4.21Å
17Q91.8Very high86.1Confident90 Ų9048.9 Ų48.942%0.42126%0.263SS..Hα-helixtrans-67.2-37.7177.7-171.356.852.800112.4S13 K14 A15 I19 N21S13-Q17 WeakPolarHBondContact O-CB 3.48Å; S13-Q17 PolarHBondContact O-N 3.31Å; K14-Q17 PolarHBondContact O-N 3.45Å; A15-Q17 VanDerWaalsContact C-N 3.29Å; A15-Q17 PolarHBondContact O-N 3.33Å; Q17-I19 VanDerWaalsContact C-N 3.32Å; Q17-N21 PolarHBondContact NE2-ND2 3.16Å; Q17-N21 PolarHBondContact NE2-OD1 3Å; Q17-N21 WeakPolarHBondContact O-CB 3.42Å; Q17-N21 VanDerWaalsContact O-CG 3.29Å; Q17-N21 PolarHBondContact O-N 2.99Å; Q17-N21 VanDerWaalsContact O-N 3.16Å; Q17-N21 PolarHBondContact O-ND2 3.23Å
18A94Very high87.8Confident4 Ų450.9 Ų50.93%0.03326%0.259CS..Hα-helixtrans-63-40.4173.100000111.5K14 A15 N21 D22 C23 K26 L27K14-A18 PolarHBondContact O-N 3.17Å; A15-A18 WeakPolarHBondContact O-CB 3.35Å; A15-A18 PolarHBondContact O-N 3.05Å; A18-N21 CarbonylContact O-C 3.47Å; A18-N21 PolarHBondContact O-N 3.31Å; A18-D22 PolarHBondContact O-N 3.34Å; A18-D22 VanDerWaalsContact O-N 3.09Å; A18-C23 PolarHBondContact O-N 3.18Å; A18-K26 HydrophobicContact CB-CB 3.87Å; A18-L27 HydrophobicContact CB-CB 3.94Å
19I93.8Very high89.6Confident0 Ų051.1 Ų51.10%026%0.264CS..Hα-helixtrans-68.2-44.5177.1-71166.5000111.9A15 E16 Q17 N21 D22 L27 L57 F60 A61 Q64 A66 C69 R325A15-I19 WeakPolarHBondContact O-CG1 3.34Å; A15-I19 PolarHBondContact O-N 3.01Å; E16-I19 PolarHBondContact O-N 3.31Å; Q17-I19 VanDerWaalsContact C-N 3.32Å; I19-N21 PolarHBondContact O-N 2.88Å; I19-D22 PolarHBondContact O-N 2.89Å; I19-L27 HydrophobicContact CD1-CD1 4.28Å; I19-L27 HydrophobicContact CD1-CD2 4.37Å; I19-L27 HydrophobicContact CG1-CD1 4.22Å; I19-L27 HydrophobicContact CG1-CD2 3.92Å; I19-L57 HydrophobicContact CD1-CB 3.81Å; I19-L57 HydrophobicContact CD1-CD1 4.38Å; I19-L57 HydrophobicContact CD1-CD2 3.92Å; I19-L57 HydrophobicContact CD1-CG 4.28Å; I19-F60 HydrophobicContact CB-CD1 4.03Å; I19-F60 HydrophobicContact CB-CE1 4.07Å; I19-F60 HydrophobicContact CD1-CD1 4.05Å; I19-F60 HydrophobicContact CG2-CD1 3.62Å; I19-F60 HydrophobicContact CG2-CE1 3.82Å; I19-A61 HydrophobicContact CD1-CB 4.36Å; I19-A61 HydrophobicContact CG1-CB 4.45Å; I19-A61 VanDerWaalsContact CG2-CA 3.43Å; I19-A61 HydrophobicContact CG2-CB 3.73Å; I19-Q64 HydrophobicContact CG2-CB 3.97Å; I19-Q64 HydrophobicContact CG2-CG 3.97Å; I19-A66 HydrophobicContact CG2-CB 3.92Å; I19-A66 WeakPolarHBondContact O-CB 3.24Å; I19-C69 HydrophobicContact CG1-CB 4.2Å; I19-R325 PolarHBondContact O-NH2 3.15Å
20K91.6Very high90.8Very high62 Ų6249 Ų4927%0.2725%0.249SC..Hα-helixtrans-53.9-37.1172.7-75.9172.2-173.4170.50111.1E16 F60 Q64 R325E16-K20 VanDerWaalsContact O-CG 3.32Å; E16-K20 WeakPolarHBondContact O-CG 3.47Å; E16-K20 PolarHBondContact O-N 3.45Å; K20-F60 HydrophobicContact CG-CE1 4.24Å; K20-F60 HydrophobicContact CG-CZ 4.09Å; K20-Q64 HydrophobicContact CG-CG 4.3Å; K20-R325 PolarHBondContact O-NH1 3.4Å; K20-R325 VanDerWaalsContact O-NH1 3.1Å; K20-R325 PolarHBondContact O-NH2 3.26Å
21N93Very high91.2Very high87 Ų8745.1 Ų45.147%0.46523%0.228SC..THydrogen-bonded Turntrans-86.60.4178-65-22000114.3Q17 A18 I19 C23Q17-N21 PolarHBondContact NE2-ND2 3.16Å; Q17-N21 PolarHBondContact NE2-OD1 3Å; Q17-N21 WeakPolarHBondContact O-CB 3.42Å; Q17-N21 VanDerWaalsContact O-CG 3.29Å; Q17-N21 PolarHBondContact O-N 2.99Å; Q17-N21 VanDerWaalsContact O-N 3.16Å; Q17-N21 PolarHBondContact O-ND2 3.23Å; A18-N21 CarbonylContact O-C 3.47Å; A18-N21 PolarHBondContact O-N 3.31Å; I19-N21 PolarHBondContact O-N 2.88Å; N21-C23 HydrophobicContact CB-CB 4.27Å; N21-C23 PolarHBondContact O-N 3.07Å
22D94.5Very high91.3Very high14 Ų1451.5 Ų51.58%0.07525%0.25CC..THydrogen-bonded Turntrans43.147.4-171.5-164.732.2000113.1A18 I19 P24 A66 R68 C69 R325A18-D22 PolarHBondContact O-N 3.34Å; A18-D22 VanDerWaalsContact O-N 3.09Å; I19-D22 PolarHBondContact O-N 2.89Å; D22-P24 VanDerWaalsContact O-CD 3.24Å; D22-P24 WeakPolarHBondContact O-CD 3.37Å; D22-A66 HydrophobicContact CB-CB 4.03Å; D22-A66 VanDerWaalsContact OD1-CA 3.3Å; D22-A66 WeakPolarHBondContact OD1-CA 3.48Å; D22-A66 WeakPolarHBondContact OD1-CB 3.42Å; D22-R68 PolarHBondContact O-NH1 3.26Å; D22-R68 WeakPolarHBondContact OD1-CA 3.15Å; D22-R68 WeakPolarHBondContact OD1-CB 3.34Å; D22-R68 PolarHBondContact OD1-N 2.84Å; D22-R68 WeakPolarHBondContact OD2-CG 3.4Å; D22-R68 PolarHBondContact OD2-N 3.3Å; D22-C69 PolarHBondContact OD1-N 2.95Å; D22-R325 VanDerWaalsContact CB-NH1 3.3Å
23C96.2Very high91.2Very high27 Ų2755.3 Ų55.318%0.18227%0.27CS..  trans-108.391.5-175.2-1700000110.2A18 N21 D25 K26 L27 C69A18-C23 PolarHBondContact O-N 3.18Å; N21-C23 HydrophobicContact CB-CB 4.27Å; N21-C23 PolarHBondContact O-N 3.07Å; C23-D25 VanDerWaalsContact C-N 3.29Å; C23-D25 PolarHBondContact O-N 2.83Å; C23-K26 HydrophobicContact CB-CB 4.23Å; C23-K26 HydrophobicContact CB-CD 4.28Å; C23-K26 HydrophobicContact CB-CG 4.44Å; C23-K26 PolarHBondContact O-N 3.49Å; C23-K26 VanDerWaalsContact SG-CG 3.54Å; C23-L27 PolarHBondContact O-N 2.97Å; C23-L27 VanDerWaalsContact O-N 3.1Å; C23-C69 PolarHBondContact N-SG 3.4Å
24P95.2Very high90.5Very high15 Ų1553 Ų5310%0.09725%0.252CS..Hα-helixtrans-64.5-31.5-175.625.8-35.6000112.7D22 L27 R28 R68 L72D22-P24 VanDerWaalsContact O-CD 3.24Å; D22-P24 WeakPolarHBondContact O-CD 3.37Å; P24-L27 PolarHBondContact O-N 3.47Å; P24-R28 VanDerWaalsContact O-CB 3.31Å; P24-R28 WeakPolarHBondContact O-CB 3.24Å; P24-R28 PolarHBondContact O-N 3.49Å; P24-R68 HydrophobicContact CG-CB 4.07Å; P24-L72 HydrophobicContact CB-CB 4.21Å; P24-L72 HydrophobicContact CB-CD2 4.06Å; P24-L72 VanDerWaalsContact O-CD2 3.23Å; P24-L72 WeakPolarHBondContact O-CD2 3.28Å
25D94.8Very high89.1Confident86 Ų8649 Ų4946%0.4624%0.241SC..Hα-helixtrans-67.2-47.7-179.8-57.2-50.3000111.3C23 L27 R28 D29C23-D25 VanDerWaalsContact C-N 3.29Å; C23-D25 PolarHBondContact O-N 2.83Å; D25-L27 VanDerWaalsContact C-N 3.3Å; D25-L27 PolarHBondContact O-N 2.89Å; D25-R28 WeakPolarHBondContact O-CB 3.42Å; D25-R28 PolarHBondContact O-N 3.24Å; D25-R28 IonicContact OD1-NH1 3.64Å; D25-R28 PolarHBondContact OD1-NH1 3.02Å; D25-D29 VanDerWaalsContact O-CG 3.32Å; D25-D29 PolarHBondContact O-N 2.99Å
26K94.7Very high87.5Confident121 Ų12154.7 Ų54.753%0.52628%0.275SS..Hα-helixtrans-60.5-39.8173.5-72.5-178.8-177.1-178.80112.1A18 C23 D29 V30A18-K26 HydrophobicContact CB-CB 3.87Å; C23-K26 HydrophobicContact CB-CB 4.23Å; C23-K26 HydrophobicContact CB-CD 4.28Å; C23-K26 HydrophobicContact CB-CG 4.44Å; C23-K26 PolarHBondContact O-N 3.49Å; C23-K26 VanDerWaalsContact SG-CG 3.54Å; K26-D29 PolarHBondContact O-N 3.35Å; K26-V30 WeakPolarHBondContact O-CG2 3.46Å; K26-V30 PolarHBondContact O-N 2.82Å; K26-V30 VanDerWaalsContact O-N 3.15Å
27L94.5Very high85.9Confident0 Ų056.4 Ų56.40%030%0.296CS..Hα-helixtrans-64.3-44.7176.8179.459.2000110.9A15 A18 I19 C23 P24 D25 D29 V30 L31 L57 C69 L72 L73A15-L27 HydrophobicContact CB-CD1 3.96Å; A18-L27 HydrophobicContact CB-CB 3.94Å; I19-L27 HydrophobicContact CD1-CD1 4.28Å; I19-L27 HydrophobicContact CD1-CD2 4.37Å; I19-L27 HydrophobicContact CG1-CD1 4.22Å; I19-L27 HydrophobicContact CG1-CD2 3.92Å; C23-L27 PolarHBondContact O-N 2.97Å; C23-L27 VanDerWaalsContact O-N 3.1Å; P24-L27 PolarHBondContact O-N 3.47Å; D25-L27 VanDerWaalsContact C-N 3.3Å; D25-L27 PolarHBondContact O-N 2.89Å; L27-D29 VanDerWaalsContact C-N 3.3Å; L27-D29 PolarHBondContact O-N 3.13Å; L27-V30 PolarHBondContact O-N 2.87Å; L27-L31 HydrophobicContact CD1-CD1 4.06Å; L27-L31 HydrophobicContact CD1-CG 4.11Å; L27-L31 HydrophobicContact CG-CD1 3.91Å; L27-L31 HydrophobicContact CG-CG 4.38Å; L27-L31 VanDerWaalsContact O-CG 3.29Å; L27-L31 WeakPolarHBondContact O-CG 3.37Å; L27-L31 PolarHBondContact O-N 2.93Å; L27-L57 HydrophobicContact CD1-CD1 4.28Å; L27-C69 HydrophobicContact CD2-CB 3.78Å; L27-L72 HydrophobicContact CB-CD2 4.28Å; L27-L72 HydrophobicContact CD2-CD2 4.23Å; L27-L72 HydrophobicContact CG-CD2 4.24Å; L27-L73 HydrophobicContact CD2-CD2 4.25Å; L27-L73 HydrophobicContact CD2-CG 4.3Å
28R92Very high83.9Confident77 Ų7756 Ų5629%0.29129%0.293SS..Hα-helixtrans-58.9-41.8177.2-174.6-176.3-73.4141.4-5.8111.5P24 D25 L31 R32 L72P24-R28 VanDerWaalsContact O-CB 3.31Å; P24-R28 WeakPolarHBondContact O-CB 3.24Å; P24-R28 PolarHBondContact O-N 3.49Å; D25-R28 WeakPolarHBondContact O-CB 3.42Å; D25-R28 PolarHBondContact O-N 3.24Å; D25-R28 IonicContact OD1-NH1 3.64Å; D25-R28 PolarHBondContact OD1-NH1 3.02Å; R28-L31 PolarHBondContact O-N 3.21Å; R28-R32 HydrophobicContact CG-CG 4.45Å; R28-R32 WeakPolarHBondContact O-CB 3.37Å; R28-R32 VanDerWaalsContact O-CG 3.31Å; R28-R32 WeakPolarHBondContact O-CG 3.42Å; R28-R32 PolarHBondContact O-N 2.93Å; R28-L72 HydrophobicContact CB-CD2 3.97Å; R28-L72 VanDerWaalsContact NH2-CD1 3.34Å
29D90.4Very high81.7Confident86 Ų8661.8 Ų61.846%0.4633%0.328SS..Hα-helixtrans-64.3-43.1178.7-66.1-22.4000111.7D25 K26 L27 R32 N33D25-D29 VanDerWaalsContact O-CG 3.32Å; D25-D29 PolarHBondContact O-N 2.99Å; K26-D29 PolarHBondContact O-N 3.35Å; L27-D29 VanDerWaalsContact C-N 3.3Å; L27-D29 PolarHBondContact O-N 3.13Å; D29-R32 PolarHBondContact O-N 3.28Å; D29-N33 PolarHBondContact O-N 3.38Å; D29-N33 PolarHBondContact O-ND2 3.46Å; D29-N33 VanDerWaalsContact O-ND2 3.11Å
30V89.3Confident79.6Confident20 Ų2067.5 Ų67.512%0.12137%0.368CS..Hα-helixtrans-61.7-48175.6176.40000110.8S11 K14 A15 K26 L27 R32 N33 E34S11-V30 WeakPolarHBondContact O-CG1 3.38Å; K14-V30 HydrophobicContact CB-CG1 4.27Å; K14-V30 HydrophobicContact CB-CG2 3.77Å; A15-V30 HydrophobicContact CB-CG1 3.97Å; K26-V30 WeakPolarHBondContact O-CG2 3.46Å; K26-V30 PolarHBondContact O-N 2.82Å; K26-V30 VanDerWaalsContact O-N 3.15Å; L27-V30 PolarHBondContact O-N 2.87Å; V30-R32 PolarHBondContact O-N 3.29Å; V30-N33 PolarHBondContact O-N 3.26Å; V30-E34 PolarHBondContact O-N 2.73Å
31L89Confident78Confident1 Ų170.2 Ų70.21%0.00539%0.386CS..Hα-helixtrans-66.5-34.7-178.8-64.5173.2000112.9L27 R28 E34 G35 V43 L48 L57 L73 F78 W80L27-L31 HydrophobicContact CD1-CD1 4.06Å; L27-L31 HydrophobicContact CD1-CG 4.11Å; L27-L31 HydrophobicContact CG-CD1 3.91Å; L27-L31 HydrophobicContact CG-CG 4.38Å; L27-L31 VanDerWaalsContact O-CG 3.29Å; L27-L31 WeakPolarHBondContact O-CG 3.37Å; L27-L31 PolarHBondContact O-N 2.93Å; R28-L31 PolarHBondContact O-N 3.21Å; L31-E34 PolarHBondContact O-N 3.01Å; L31-G35 PolarHBondContact O-N 3.36Å; L31-V43 HydrophobicContact CD2-CG1 3.86Å; L31-V43 VanDerWaalsContact O-CG2 3.26Å; L31-V43 WeakPolarHBondContact O-CG2 3.15Å; L31-L48 HydrophobicContact CD2-CD1 3.7Å; L31-L57 HydrophobicContact CD2-CD1 4.04Å; L31-L73 HydrophobicContact CD1-CD2 3.82Å; L31-F78 HydrophobicContact CB-CE1 3.77Å; L31-F78 HydrophobicContact CB-CZ 3.68Å; L31-F78 HydrophobicContact CD1-CD1 4.33Å; L31-F78 HydrophobicContact CD1-CD2 4.41Å; L31-F78 HydrophobicContact CD1-CE1 3.78Å; L31-F78 HydrophobicContact CD1-CE2 3.86Å; L31-F78 HydrophobicContact CD1-CZ 3.52Å; L31-F78 HydrophobicContact CG-CE1 4.39Å; L31-F78 HydrophobicContact CG-CZ 4.26Å; L31-W80 HydrophobicContact CD2-CZ2 4.46Å
32R83.8Confident76.8Confident151 Ų15171.7 Ų71.757%0.5739%0.393SS*.Hα-helixtrans-66.2-40.9175.9-79.4177.6173-172.1-3.3112.2R28 D29 V30 E34 G35 T36R28-R32 HydrophobicContact CG-CG 4.45Å; R28-R32 WeakPolarHBondContact O-CB 3.37Å; R28-R32 VanDerWaalsContact O-CG 3.31Å; R28-R32 WeakPolarHBondContact O-CG 3.42Å; R28-R32 PolarHBondContact O-N 2.93Å; D29-R32 PolarHBondContact O-N 3.28Å; V30-R32 PolarHBondContact O-N 3.29Å; R32-E34 VanDerWaalsContact C-N 3.31Å; R32-E34 PolarHBondContact O-N 2.71Å; R32-G35 PolarHBondContact O-N 2.7Å; R32-T36 PolarHBondContact O-N 2.69Å; R32-T36 VanDerWaalsContact O-N 3.1Å
33N79.6Confident76.1Confident107 Ų10771.2 Ų71.257%0.57239%0.391SS*.Hα-helixtrans-66.4-35.3178.4-66.5-25000111.6D29 V30 T36 A37D29-N33 PolarHBondContact O-N 3.38Å; D29-N33 PolarHBondContact O-ND2 3.46Å; D29-N33 VanDerWaalsContact O-ND2 3.11Å; V30-N33 PolarHBondContact O-N 3.26Å; N33-T36 PolarHBondContact O-N 2.78Å; N33-T36 PolarHBondContact O-OG1 3.42Å; N33-A37 PolarHBondContact O-N 3.16Å
34E70.7Confident75.5Confident21 Ų2172.7 Ų72.710%0.09840%0.399CS..Hα-helixtrans-65.8-45.5170.9-69.9-60.4117.600111.8S11 V30 L31 R32 T36 A37 F38 V43S11-E34 VanDerWaalsContact CB-CD 3.45Å; S11-E34 WeakPolarHBondContact CB-OE1 3.48Å; S11-E34 PolarHBondContact OG-OE1 3.12Å; V30-E34 PolarHBondContact O-N 2.73Å; L31-E34 PolarHBondContact O-N 3.01Å; R32-E34 VanDerWaalsContact C-N 3.31Å; R32-E34 PolarHBondContact O-N 2.71Å; E34-T36 PolarHBondContact O-N 3.07Å; E34-T36 VanDerWaalsContact O-N 3.15Å; E34-A37 WeakPolarHBondContact O-CA 3.16Å; E34-A37 WeakPolarHBondContact O-CB 3.5Å; E34-A37 PolarHBondContact O-N 2.78Å; E34-F38 WeakPolarHBondContact O-CD2 3.47Å; E34-F38 PolarHBondContact O-N 2.73Å; E34-F38 VanDerWaalsContact O-N 3.11Å; E34-V43 HydrophobicContact CB-CG2 3.98Å
35G61Low74.8Confident22 Ų2274 Ų7423%0.22740%0.403CS..Hα-helixtrans-62.1-20.7177.200000114.4L31 R32L31-G35 PolarHBondContact O-N 3.36Å; R32-G35 PolarHBondContact O-N 2.7Å
36T57.4Low74.1Confident119 Ų11976.8 Ų76.873%0.7341%0.414SS*.Hα-helixtrans-82.4-20.3169.952.80000113.7R32 N33 E34R32-T36 PolarHBondContact O-N 2.69Å; R32-T36 VanDerWaalsContact O-N 3.1Å; N33-T36 PolarHBondContact O-N 2.78Å; N33-T36 PolarHBondContact O-OG1 3.42Å; E34-T36 PolarHBondContact O-N 3.07Å; E34-T36 VanDerWaalsContact O-N 3.15Å
37A56.6Low73.4Confident74 Ų7472.9 Ų72.961%0.61240%0.402SS*.Hα-helixtrans-83.2-30.8175.700000112.2N33 E34N33-A37 PolarHBondContact O-N 3.16Å; E34-A37 WeakPolarHBondContact O-CA 3.16Å; E34-A37 WeakPolarHBondContact O-CB 3.5Å; E34-A37 PolarHBondContact O-N 2.78Å
38F50Low72.6Confident81 Ų8173.2 Ų73.236%0.35540%0.404SS..SBendtrans-91.2138.7171.8-60.3-74.6000110.7F8 E34 S40F8-F38 HydrophobicContact CE1-CE1 4.33Å; F8-F38 HydrophobicContact CE1-CE2 4.25Å; F8-F38 AromaticContact CE1-CZ 3.46Å; F8-F38 HydrophobicContact CE1-CZ 3.46Å; F8-F38 VanDerWaalsContact CE1-CZ 3.46Å; F8-F38 AromaticContact CZ-CE1 3.88Å; F8-F38 HydrophobicContact CZ-CE1 3.88Å; F8-F38 AromaticContact CZ-CZ 3.38Å; F8-F38 HydrophobicContact CZ-CZ 3.38Å; E34-F38 WeakPolarHBondContact O-CD2 3.47Å; E34-F38 PolarHBondContact O-N 2.73Å; E34-F38 VanDerWaalsContact O-N 3.11Å; F38-S40 PolarHBondContact O-N 3.42Å
39T48.8Very low72.1Confident127 Ų12770.8 Ų70.878%0.77940%0.397SS*.SBendtrans-62.2102.4179.846.50000111D41T39-D41 PolarHBondContact O-N 3.45Å
40S48.8Very low71.4Confident120 Ų12068.7 Ų68.784%0.83939%0.386SS*.SBendtrans48.2-5.1170.182.40000120.8F38F38-S40 PolarHBondContact O-N 3.42Å
41D57.6Low70.8Confident118 Ų11875.3 Ų75.363%0.63142%0.415SS*.  trans-84.6122.5177.5-67.6-22.5000109.1T39 V43T39-D41 PolarHBondContact O-N 3.45Å; D41-V43 PolarHBondContact O-N 2.73Å
42L67.5Low70Confident118 Ų11879.5 Ų79.562%0.61844%0.435SS*.  trans-48.3134.8173.8-78.5151.3000109.7T44L42-T44 WeakPolarHBondContact O-CG2 3.48Å; L42-T44 PolarHBondContact O-N 3.24Å
43V81Confident69.6Low5 Ų573.1 Ų73.13%0.0341%0.412CS..  trans-56.1113.8174.6-178.60000109.7L31 E34 D41 W80L31-V43 HydrophobicContact CD2-CG1 3.86Å; L31-V43 VanDerWaalsContact O-CG2 3.26Å; L31-V43 WeakPolarHBondContact O-CG2 3.15Å; E34-V43 HydrophobicContact CB-CG2 3.98Å; D41-V43 PolarHBondContact O-N 2.73Å; V43-W80 HydrophobicContact CG1-CZ2 4.4Å; V43-W80 PolarHBondContact O-NE1 3.46Å; V43-W80 VanDerWaalsContact O-NE1 3.07Å
44T82.7Confident69.7Low58 Ų5873.6 Ų73.636%0.35641%0.406SS..  trans-97.7175-178.669.20000110.9L42 E46 S47 W80L42-T44 WeakPolarHBondContact O-CG2 3.48Å; L42-T44 PolarHBondContact O-N 3.24Å; T44-E46 PolarHBondContact O-N 3.09Å; T44-E46 VanDerWaalsContact O-N 3.08Å; T44-E46 PolarHBondContact OG1-N 2.89Å; T44-S47 PolarHBondContact N-OG 3.41Å; T44-S47 VanDerWaalsContact N-OG 3.13Å; T44-S47 PolarHBondContact O-N 3.46Å; T44-S47 VanDerWaalsContact O-N 3.15Å; T44-S47 PolarHBondContact O-OG 2.62Å; T44-W80 WeakPolarHBondContact O-CZ2 3.42Å
45E79.9Confident70.5Confident41 Ų4173.2 Ų73.219%0.19240%0.404CS..THydrogen-bonded Turntrans-59.6-13.2172.363.8-92.3-149.700114.4V49 N56 W80 N81E45-V49 WeakPolarHBondContact O-CG2 3.05Å; E45-N56 HydrophobicContact CB-CB 4.4Å; E45-N56 WeakPolarHBondContact O-CB 3.42Å; E45-W80 HydrophobicContact CB-CB 4.47Å; E45-W80 HydrophobicContact CB-CD2 4.05Å; E45-W80 HydrophobicContact CB-CE3 3.94Å; E45-W80 HydrophobicContact CB-CG 4.29Å; E45-W80 HydrophobicContact CB-CZ3 4.42Å; E45-N81 WeakPolarHBondContact OE1-CB 3.37Å
46E81.6Confident71.9Confident145 Ų14572.5 Ų72.568%0.67840%0.395SS*.THydrogen-bonded Turntrans-92.1-16.1178.8-58.1-169.4154.800113T44 V49T44-E46 PolarHBondContact O-N 3.09Å; T44-E46 VanDerWaalsContact O-N 3.08Å; T44-E46 PolarHBondContact OG1-N 2.89Å; E46-V49 WeakPolarHBondContact O-CG2 3.09Å
47S78.2Confident73.5Confident40 Ų4067 Ų6728%0.2836%0.361SS..THydrogen-bonded Turntrans-74.1-34.1-173.8-50.20000113.6T44T44-S47 PolarHBondContact N-OG 3.41Å; T44-S47 VanDerWaalsContact N-OG 3.13Å; T44-S47 PolarHBondContact O-N 3.46Å; T44-S47 VanDerWaalsContact O-N 3.15Å; T44-S47 PolarHBondContact O-OG 2.62Å
48L78.7Confident75.3Confident6 Ų663.4 Ų63.43%0.03133%0.332CS..SBendtrans-127.680.2-177.1-67.9174.2000109.9L12 A15 L31 L57L12-L48 HydrophobicContact CB-CD2 4.35Å; L12-L48 HydrophobicContact CD1-CB 4.25Å; L12-L48 HydrophobicContact CD1-CD2 4.48Å; A15-L48 HydrophobicContact CB-CD1 4.41Å; L31-L48 HydrophobicContact CD2-CD1 3.7Å; L48-L57 HydrophobicContact CB-CD1 3.94Å; L48-L57 HydrophobicContact CB-CD2 4.43Å; L48-L57 HydrophobicContact CB-CG 3.86Å; L48-L57 HydrophobicContact CD1-CD1 3.58Å; L48-L57 HydrophobicContact CD1-CG 4.41Å; L48-L57 HydrophobicContact CG-CD1 4.42Å; L48-L57 PolarHBondContact O-N 3.19Å
49V80.9Confident77.3Confident26 Ų2659.6 Ų59.616%0.15832%0.315CS..EExtended strand (participates in β ladder)trans-118.6136.3-175.5-1790000111E45 E46 H51 R54 E55 N56E45-V49 WeakPolarHBondContact O-CG2 3.05Å; E46-V49 WeakPolarHBondContact O-CG2 3.09Å; V49-H51 PolarHBondContact O-N 3.43Å; V49-R54 HydrophobicContact CG1-CG 4.34Å; V49-E55 WeakPolarHBondContact CA-O 3.29Å; V49-N56 HydrophobicContact CG2-CB 4.1Å
50N76.8Confident79.3Confident43 Ų4354.9 Ų54.923%0.2328%0.284CS..EExtended strand (participates in β ladder)trans-74.7104.2162.2-179.3-9.2000109.5Q52 I53 R54 E55N50-Q52 PolarHBondContact O-N 2.9Å; N50-Q52 VanDerWaalsContact O-N 3.12Å; N50-Q52 PolarHBondContact OD1-N 3.14Å; N50-Q52 VanDerWaalsContact OD1-N 3.09Å; N50-I53 HydrophobicContact CB-CG1 4.34Å; N50-I53 PolarHBondContact O-N 3.4Å; N50-R54 VanDerWaalsContact O-CA 3.22Å; N50-R54 WeakPolarHBondContact O-CA 3.15Å; N50-R54 PolarHBondContact O-N 3.19Å; N50-E55 PolarHBondContact N-O 3.43Å; N50-E55 PolarHBondContact O-N 3.17Å
51H77.1Confident81.5Confident158 Ų15849.2 Ų49.273%0.73124%0.244SC*.THydrogen-bonded Turntrans-63.4-15.6-176.4-66.8-69.4000115.4V49 F87V49-H51 PolarHBondContact O-N 3.43Å; H51-F87 WeakPolarHBondContact O-CE2 3.45Å
52Q70.4Confident83.1Confident90 Ų9043.6 Ų43.642%0.42121%0.214SC..THydrogen-bonded Turntrans-78-35.6-177.2-63.8-177.3-28.900113N50 F87 R338N50-Q52 PolarHBondContact O-N 2.9Å; N50-Q52 VanDerWaalsContact O-N 3.12Å; N50-Q52 PolarHBondContact OD1-N 3.14Å; N50-Q52 VanDerWaalsContact OD1-N 3.09Å; Q52-F87 WeakPolarHBondContact O-CD2 3.46Å; Q52-R338 VanDerWaalsContact CD-O 3.3Å; Q52-R338 PolarHBondContact NE2-O 3.47Å; Q52-R338 PolarHBondContact OE1-O 3.26Å
53I75.7Confident84.2Confident16 Ų1638.1 Ų38.18%0.08219%0.185CC..THydrogen-bonded Turntrans-119.5-2.9-179.255.8177.9000112.3N50 E55 N86 F87 I346N50-I53 HydrophobicContact CB-CG1 4.34Å; N50-I53 PolarHBondContact O-N 3.4Å; I53-E55 VanDerWaalsContact C-N 3.32Å; I53-E55 HydrophobicContact CB-CG 4.47Å; I53-E55 HydrophobicContact CD1-CB 4Å; I53-E55 HydrophobicContact CD1-CG 3.71Å; I53-E55 VanDerWaalsContact CD1-OE2 3.29Å; I53-E55 WeakPolarHBondContact CD1-OE2 3.31Å; I53-E55 HydrophobicContact CG1-CB 3.93Å; I53-E55 HydrophobicContact CG1-CG 3.79Å; I53-N86 WeakPolarHBondContact O-CB 3.36Å; I53-F87 VanDerWaalsContact C-CD2 3.48Å; I53-F87 PolarHBondContact O-N 2.9Å; I53-I346 HydrophobicContact CG2-CD1 4.22Å
54R82.7Confident84.6Confident117 Ų11738.3 Ų38.344%0.44219%0.186SC..THydrogen-bonded Turntrans56.942.2-174.3-160-172.2174.4-170.2-1.4112.9V49 N50 F87V49-R54 HydrophobicContact CG1-CG 4.34Å; N50-R54 VanDerWaalsContact O-CA 3.22Å; N50-R54 WeakPolarHBondContact O-CA 3.15Å; N50-R54 PolarHBondContact O-N 3.19Å; R54-F87 HydrophobicContact CB-CD1 3.74Å; R54-F87 HydrophobicContact CB-CD2 3.81Å; R54-F87 HydrophobicContact CB-CE1 3.81Å; R54-F87 HydrophobicContact CB-CE2 3.88Å; R54-F87 HydrophobicContact CB-CG 3.73Å; R54-F87 HydrophobicContact CB-CZ 3.87Å; R54-F87 HydrophobicContact CG-CD1 4.41Å; R54-F87 HydrophobicContact CG-CE1 4.19Å; R54-F87 HydrophobicContact CG-CZ 4.4Å
55E87.3Confident85Confident14 Ų1435.5 Ų35.57%0.06517%0.169CC..EExtended strand (participates in β ladder)trans-97.5122.8173.9-76.4-173-178.500110.7V49 N50 I53 H59 H63 N86V49-E55 WeakPolarHBondContact CA-O 3.29Å; N50-E55 PolarHBondContact N-O 3.43Å; N50-E55 PolarHBondContact O-N 3.17Å; I53-E55 VanDerWaalsContact C-N 3.32Å; I53-E55 HydrophobicContact CB-CG 4.47Å; I53-E55 HydrophobicContact CD1-CB 4Å; I53-E55 HydrophobicContact CD1-CG 3.71Å; I53-E55 VanDerWaalsContact CD1-OE2 3.29Å; I53-E55 WeakPolarHBondContact CD1-OE2 3.31Å; I53-E55 HydrophobicContact CG1-CB 3.93Å; I53-E55 HydrophobicContact CG1-CG 3.79Å; E55-H59 HydrophobicContact CB-CB 3.76Å; E55-H59 HydrophobicContact CG-CB 3.77Å; E55-H63 IonicContact OE1-NE2 3.5Å; E55-H63 PolarHBondContact OE1-NE2 2.91Å; E55-H63 IonicContact OE2-CD2 3.24Å; E55-H63 PolarHBondContact OE2-CD2 3.25Å; E55-H63 IonicContact OE2-NE2 3.28Å; E55-H63 PolarHBondContact OE2-NE2 3.23Å; E55-N86 HydrophobicContact CG-CB 3.75Å; E55-N86 PolarHBondContact OE1-ND2 3.49Å
56N90.1Very high85.7Confident6 Ų633.6 Ų33.63%0.03216%0.159CC..EExtended strand (participates in β ladder)trans-82.4175.9170.863.832.1000111.4E45 V49 L58 H59 F60 W80E45-N56 HydrophobicContact CB-CB 4.4Å; E45-N56 WeakPolarHBondContact O-CB 3.42Å; V49-N56 HydrophobicContact CG2-CB 4.1Å; N56-L58 PolarHBondContact O-N 2.92Å; N56-L58 VanDerWaalsContact O-N 3.13Å; N56-L58 WeakPolarHBondContact OD1-CA 3.44Å; N56-L58 VanDerWaalsContact OD1-CB 3.26Å; N56-L58 WeakPolarHBondContact OD1-CB 3.48Å; N56-L58 PolarHBondContact OD1-N 2.77Å; N56-H59 PolarHBondContact N-ND1 3.23Å; N56-H59 PolarHBondContact ND2-ND1 3.16Å; N56-H59 WeakPolarHBondContact O-CB 3.39Å; N56-H59 PolarHBondContact O-N 3.41Å; N56-H59 VanDerWaalsContact O-N 3.14Å; N56-H59 PolarHBondContact OD1-N 2.86Å; N56-H59 PolarHBondContact OD1-ND1 3.48Å; N56-F60 PolarHBondContact O-N 2.89Å; N56-F60 VanDerWaalsContact O-N 3.11Å; N56-W80 HydrophobicContact CB-CZ3 4.18Å
57L91.6Very high86.3Confident3 Ų328 Ų282%0.01614%0.136CC..Hα-helixtrans-59.2-23.9177-61.8179.2000114.5L12 A15 I19 L27 L31 L48 F60 A61 L73 W80L12-L57 HydrophobicContact CD1-CD2 3.8Å; A15-L57 HydrophobicContact CB-CD1 3.74Å; A15-L57 HydrophobicContact CB-CD2 4.04Å; I19-L57 HydrophobicContact CD1-CB 3.81Å; I19-L57 HydrophobicContact CD1-CD1 4.38Å; I19-L57 HydrophobicContact CD1-CD2 3.92Å; I19-L57 HydrophobicContact CD1-CG 4.28Å; L27-L57 HydrophobicContact CD1-CD1 4.28Å; L31-L57 HydrophobicContact CD2-CD1 4.04Å; L48-L57 HydrophobicContact CB-CD1 3.94Å; L48-L57 HydrophobicContact CB-CD2 4.43Å; L48-L57 HydrophobicContact CB-CG 3.86Å; L48-L57 HydrophobicContact CD1-CD1 3.58Å; L48-L57 HydrophobicContact CD1-CG 4.41Å; L48-L57 HydrophobicContact CG-CD1 4.42Å; L48-L57 PolarHBondContact O-N 3.19Å; L57-F60 PolarHBondContact O-N 3.15Å; L57-A61 VanDerWaalsContact O-CB 3.22Å; L57-A61 WeakPolarHBondContact O-CB 3.01Å; L57-A61 PolarHBondContact O-N 3.43Å; L57-L73 HydrophobicContact CB-CD1 4.4Å; L57-W80 HydrophobicContact CB-CH2 3.6Å; L57-W80 HydrophobicContact CB-CZ3 3.54Å; L57-W80 HydrophobicContact CD1-CH2 3.84Å; L57-W80 HydrophobicContact CG-CH2 3.91Å; L57-W80 HydrophobicContact CG-CZ3 4.32Å
58L94Very high87.1Confident0 Ų032.4 Ų32.40%015%0.147CC..Hα-helixtrans-70.5-43.3176.3177.764.6000110.8N56 F60 A61 V62 I70 L73 L74 W80 P92 I108N56-L58 PolarHBondContact O-N 2.92Å; N56-L58 VanDerWaalsContact O-N 3.13Å; N56-L58 WeakPolarHBondContact OD1-CA 3.44Å; N56-L58 VanDerWaalsContact OD1-CB 3.26Å; N56-L58 WeakPolarHBondContact OD1-CB 3.48Å; N56-L58 PolarHBondContact OD1-N 2.77Å; L58-F60 VanDerWaalsContact C-N 3.32Å; L58-F60 PolarHBondContact O-N 2.91Å; L58-A61 PolarHBondContact O-N 3.39Å; L58-V62 WeakPolarHBondContact O-CG2 3.23Å; L58-V62 PolarHBondContact O-N 3.43Å; L58-I70 HydrophobicContact CD1-CB 4.39Å; L58-I70 HydrophobicContact CD1-CG1 4.16Å; L58-I70 HydrophobicContact CD1-CG2 3.93Å; L58-L73 HydrophobicContact CB-CD1 4.23Å; L58-L73 HydrophobicContact CD1-CD1 4.36Å; L58-L74 HydrophobicContact CD1-CD2 4.13Å; L58-L74 HydrophobicContact CD1-CG 4.25Å; L58-L74 HydrophobicContact CD2-CD2 3.71Å; L58-W80 HydrophobicContact CB-CE3 3.86Å; L58-W80 HydrophobicContact CB-CZ3 4.31Å; L58-P92 HydrophobicContact CD2-CB 4.18Å; L58-P92 HydrophobicContact CD2-CG 3.82Å; L58-P92 HydrophobicContact CG-CB 4.15Å; L58-P92 HydrophobicContact CG-CG 4Å; L58-I108 HydrophobicContact CD1-CD1 3.92Å; L58-I108 HydrophobicContact CG-CD1 4.46Å
59H91.7Very high87.9Confident0 Ų032.1 Ų32.10%015%0.145CC..Hα-helixtrans-57.5-49.1170.6-64.381.9000110E55 N56 A61 V62 H63 S84 H90 L95E55-H59 HydrophobicContact CB-CB 3.76Å; E55-H59 HydrophobicContact CG-CB 3.77Å; N56-H59 PolarHBondContact N-ND1 3.23Å; N56-H59 PolarHBondContact ND2-ND1 3.16Å; N56-H59 WeakPolarHBondContact O-CB 3.39Å; N56-H59 PolarHBondContact O-N 3.41Å; N56-H59 VanDerWaalsContact O-N 3.14Å; N56-H59 PolarHBondContact OD1-N 2.86Å; N56-H59 PolarHBondContact OD1-ND1 3.48Å; H59-A61 VanDerWaalsContact C-N 3.31Å; H59-A61 PolarHBondContact O-N 3.16Å; H59-V62 CarbonylContact O-C 3.58Å; H59-V62 WeakPolarHBondContact O-CB 3.47Å; H59-V62 PolarHBondContact O-N 3.07Å; H59-V62 VanDerWaalsContact O-N 3.15Å; H59-H63 PolarHBondContact O-CD2 3.43Å; H59-H63 PolarHBondContact O-N 2.92Å; H59-S84 PolarHBondContact CE1-O 3.45Å; H59-S84 PolarHBondContact NE2-O 2.95Å; H59-S84 VanDerWaalsContact NE2-O 3.17Å; H59-H90 PolarHBondContact NE2-O 3.22Å; H59-L95 HydrophobicContact CB-CD1 4.1Å
60F91.1Very high88.7Confident29 Ų2930.9 Ų30.913%0.12714%0.138CC..Hα-helixtrans-59.8-41.1178.2-173.6-106.3000112.3E16 I19 K20 N56 L57 L58 V62 H63 Q64E16-F60 HydrophobicContact CB-CD1 4.26Å; E16-F60 HydrophobicContact CB-CE1 3.7Å; E16-F60 HydrophobicContact CB-CZ 4.15Å; E16-F60 HydrophobicContact CG-CD1 3.97Å; E16-F60 HydrophobicContact CG-CE1 3.82Å; E16-F60 HydrophobicContact CG-CG 4.48Å; E16-F60 HydrophobicContact CG-CZ 4.21Å; I19-F60 HydrophobicContact CB-CD1 4.03Å; I19-F60 HydrophobicContact CB-CE1 4.07Å; I19-F60 HydrophobicContact CD1-CD1 4.05Å; I19-F60 HydrophobicContact CG2-CD1 3.62Å; I19-F60 HydrophobicContact CG2-CE1 3.82Å; K20-F60 HydrophobicContact CG-CE1 4.24Å; K20-F60 HydrophobicContact CG-CZ 4.09Å; N56-F60 PolarHBondContact O-N 2.89Å; N56-F60 VanDerWaalsContact O-N 3.11Å; L57-F60 PolarHBondContact O-N 3.15Å; L58-F60 VanDerWaalsContact C-N 3.32Å; L58-F60 PolarHBondContact O-N 2.91Å; F60-V62 VanDerWaalsContact C-N 3.35Å; F60-V62 PolarHBondContact O-N 3.03Å; F60-H63 CarbonylContact O-C 3.52Å; F60-H63 WeakPolarHBondContact O-CA 3.08Å; F60-H63 WeakPolarHBondContact O-CB 3.26Å; F60-H63 PolarHBondContact O-N 2.8Å; F60-Q64 HydrophobicContact CD1-CG 4.13Å; F60-Q64 HydrophobicContact CE1-CG 3.61Å; F60-Q64 HydrophobicContact CE2-CG 4.13Å; F60-Q64 HydrophobicContact CZ-CG 3.6Å; F60-Q64 WeakPolarHBondContact O-CG 3.43Å; F60-Q64 PolarHBondContact O-N 3.35Å
61A93.9Very high89.6Confident0 Ų032.6 Ų32.60%015%0.147CC..Hα-helixtrans-65.2-37.2176.900000112.7I19 L57 L58 H59 H63 Q64 S65 A66 I70I19-A61 HydrophobicContact CD1-CB 4.36Å; I19-A61 HydrophobicContact CG1-CB 4.45Å; I19-A61 VanDerWaalsContact CG2-CA 3.43Å; I19-A61 HydrophobicContact CG2-CB 3.73Å; L57-A61 VanDerWaalsContact O-CB 3.22Å; L57-A61 WeakPolarHBondContact O-CB 3.01Å; L57-A61 PolarHBondContact O-N 3.43Å; L58-A61 PolarHBondContact O-N 3.39Å; H59-A61 VanDerWaalsContact C-N 3.31Å; H59-A61 PolarHBondContact O-N 3.16Å; A61-H63 VanDerWaalsContact C-N 3.29Å; A61-Q64 CarbonylContact O-C 3.56Å; A61-Q64 PolarHBondContact O-N 3.47Å; A61-S65 PolarHBondContact O-N 2.9Å; A61-S65 VanDerWaalsContact O-N 3.1Å; A61-A66 HydrophobicContact CB-CB 4.33Å; A61-A66 PolarHBondContact O-N 3.33Å; A61-I70 HydrophobicContact CB-CD1 4.33Å; A61-I70 HydrophobicContact CB-CG1 3.59Å
62V92.7Very high90.5Very high0 Ų025.5 Ų25.50%011%0.114CC..Hα-helixtrans-62-40167.5173.50000110.2L58 H59 F60 Q64 S65 I70 P92 L95 A96 V104 I108L58-V62 WeakPolarHBondContact O-CG2 3.23Å; L58-V62 PolarHBondContact O-N 3.43Å; H59-V62 CarbonylContact O-C 3.58Å; H59-V62 WeakPolarHBondContact O-CB 3.47Å; H59-V62 PolarHBondContact O-N 3.07Å; H59-V62 VanDerWaalsContact O-N 3.15Å; F60-V62 VanDerWaalsContact C-N 3.35Å; F60-V62 PolarHBondContact O-N 3.03Å; V62-Q64 PolarHBondContact O-N 3.24Å; V62-S65 PolarHBondContact O-N 3.1Å; V62-S65 VanDerWaalsContact O-N 3.11Å; V62-I70 HydrophobicContact CG2-CD1 3.89Å; V62-P92 HydrophobicContact CG2-CB 4.18Å; V62-L95 HydrophobicContact CG1-CB 3.72Å; V62-A96 HydrophobicContact CG1-CB 3.92Å; V62-V104 HydrophobicContact CG1-CG1 4.25Å; V62-V104 HydrophobicContact CG2-CG1 4.14Å; V62-I108 HydrophobicContact CG2-CD1 3.75Å; V62-I108 HydrophobicContact CG2-CG1 4.12Å
63H89.1Confident91.6Very high3 Ų321.2 Ų21.21%0.0149%0.094CC..Hα-helixtrans-62.1-29175.9-68.4-76.6000115.3E55 H59 F60 A61 L95 R99 V331 F350E55-H63 IonicContact OE1-NE2 3.5Å; E55-H63 PolarHBondContact OE1-NE2 2.91Å; E55-H63 IonicContact OE2-CD2 3.24Å; E55-H63 PolarHBondContact OE2-CD2 3.25Å; E55-H63 IonicContact OE2-NE2 3.28Å; E55-H63 PolarHBondContact OE2-NE2 3.23Å; H59-H63 PolarHBondContact O-CD2 3.43Å; H59-H63 PolarHBondContact O-N 2.92Å; F60-H63 CarbonylContact O-C 3.52Å; F60-H63 WeakPolarHBondContact O-CA 3.08Å; F60-H63 WeakPolarHBondContact O-CB 3.26Å; F60-H63 PolarHBondContact O-N 2.8Å; A61-H63 VanDerWaalsContact C-N 3.29Å; H63-L95 WeakPolarHBondContact NE2-CD1 3.38Å; H63-R99 VanDerWaalsContact CA-NH1 3.34Å; H63-R99 PolarHBondContact ND1-NH1 3.24Å; H63-R99 VanDerWaalsContact ND1-NH1 3.16Å; H63-R99 PolarHBondContact ND1-NH2 3.33Å; H63-R99 PolarHBondContact O-NH2 2.72Å; H63-R99 VanDerWaalsContact O-NH2 3.1Å; H63-V331 HydrophobicContact CB-CG2 4.32Å; H63-F350 AromaticContact CE1-CD1 3.68Å; H63-F350 AromaticContact ND1-CD1 3.84Å
64Q89.9Confident92.5Very high9 Ų920.8 Ų20.84%0.0429%0.092CC..THydrogen-bonded Turntrans-97.26.4179.1-57.5-57.9-56.100112.9I19 K20 F60 A61 V62 A66 R325 V330 V331I19-Q64 HydrophobicContact CG2-CB 3.97Å; I19-Q64 HydrophobicContact CG2-CG 3.97Å; K20-Q64 HydrophobicContact CG-CG 4.3Å; F60-Q64 HydrophobicContact CD1-CG 4.13Å; F60-Q64 HydrophobicContact CE1-CG 3.61Å; F60-Q64 HydrophobicContact CE2-CG 4.13Å; F60-Q64 HydrophobicContact CZ-CG 3.6Å; F60-Q64 WeakPolarHBondContact O-CG 3.43Å; F60-Q64 PolarHBondContact O-N 3.35Å; A61-Q64 CarbonylContact O-C 3.56Å; A61-Q64 PolarHBondContact O-N 3.47Å; V62-Q64 PolarHBondContact O-N 3.24Å; Q64-A66 HydrophobicContact CB-CB 4.25Å; Q64-A66 PolarHBondContact O-N 3.37Å; Q64-A66 VanDerWaalsContact O-N 3.08Å; Q64-R325 VanDerWaalsContact O-CZ 3.31Å; Q64-R325 PolarHBondContact O-NE 2.9Å; Q64-R325 PolarHBondContact O-NH2 3.49Å; Q64-V330 VanDerWaalsContact CD-CG1 3.44Å; Q64-V331 PolarHBondContact NE2-O 3.11Å
65S91.5Very high92.9Very high0 Ų017.3 Ų17.30%08%0.082CC..THydrogen-bonded Turntrans49.134.4-174.2-63.90000113.1A61 V62 S67 R325 V328A61-S65 PolarHBondContact O-N 2.9Å; A61-S65 VanDerWaalsContact O-N 3.1Å; V62-S65 PolarHBondContact O-N 3.1Å; V62-S65 VanDerWaalsContact O-N 3.11Å; S65-S67 PolarHBondContact O-N 3.44Å; S65-R325 WeakPolarHBondContact O-CD 3.5Å; S65-R325 PolarHBondContact O-NE 2.79Å; S65-V328 WeakPolarHBondContact OG-CG1 3.35Å
66A93.7Very high92.9Very high0 Ų020.2 Ų20.20%010%0.103CC..  trans-87.471.4-169.400000111.1I19 D22 A61 Q64 R68 C69 I70I19-A66 HydrophobicContact CG2-CB 3.92Å; I19-A66 WeakPolarHBondContact O-CB 3.24Å; D22-A66 HydrophobicContact CB-CB 4.03Å; D22-A66 VanDerWaalsContact OD1-CA 3.3Å; D22-A66 WeakPolarHBondContact OD1-CA 3.48Å; D22-A66 WeakPolarHBondContact OD1-CB 3.42Å; A61-A66 HydrophobicContact CB-CB 4.33Å; A61-A66 PolarHBondContact O-N 3.33Å; Q64-A66 HydrophobicContact CB-CB 4.25Å; Q64-A66 PolarHBondContact O-N 3.37Å; Q64-A66 VanDerWaalsContact O-N 3.08Å; A66-R68 VanDerWaalsContact C-N 3.27Å; A66-R68 PolarHBondContact O-N 3.17Å; A66-C69 HydrophobicContact CB-CB 4.06Å; A66-C69 PolarHBondContact O-N 3.48Å; A66-I70 VanDerWaalsContact O-CG1 3.26Å; A66-I70 WeakPolarHBondContact O-CG1 3.3Å; A66-I70 PolarHBondContact O-N 3.2Å
67S94.5Very high92.8Very high27 Ų2722.5 Ų22.519%0.18912%0.118CC..Hα-helixtrans-56.3-35.3-17267.20000114.2S65 N71 L107S65-S67 PolarHBondContact O-N 3.44Å; S67-N71 WeakPolarHBondContact O-CB 3.45Å; S67-N71 PolarHBondContact O-N 3.02Å; S67-L107 VanDerWaalsContact O-CD2 3.28Å; S67-L107 WeakPolarHBondContact O-CD2 3.37Å
68R95.8Very high92.8Very high134 Ų13423.5 Ų23.551%0.50612%0.122SC..Hα-helixtrans-74.5-41.1-179.2-59.217064.7-153.16.7111.2D22 P24 A66 N71 L72D22-R68 PolarHBondContact O-NH1 3.26Å; D22-R68 WeakPolarHBondContact OD1-CA 3.15Å; D22-R68 WeakPolarHBondContact OD1-CB 3.34Å; D22-R68 PolarHBondContact OD1-N 2.84Å; D22-R68 WeakPolarHBondContact OD2-CG 3.4Å; D22-R68 PolarHBondContact OD2-N 3.3Å; P24-R68 HydrophobicContact CG-CB 4.07Å; A66-R68 VanDerWaalsContact C-N 3.27Å; A66-R68 PolarHBondContact O-N 3.17Å; R68-N71 PolarHBondContact O-N 3.27Å; R68-L72 PolarHBondContact O-N 3.42Å
69C96.4Very high92.6Very high0 Ų031 Ų310%015%0.151CC..Hα-helixtrans-64-42.9172.7-74.90000111.5I19 D22 C23 L27 A66 N71 L72 L73I19-C69 HydrophobicContact CG1-CB 4.2Å; D22-C69 PolarHBondContact OD1-N 2.95Å; C23-C69 PolarHBondContact N-SG 3.4Å; L27-C69 HydrophobicContact CD2-CB 3.78Å; A66-C69 HydrophobicContact CB-CB 4.06Å; A66-C69 PolarHBondContact O-N 3.48Å; C69-N71 VanDerWaalsContact C-N 3.32Å; C69-N71 PolarHBondContact O-N 3.02Å; C69-L72 WeakPolarHBondContact O-CB 3.2Å; C69-L72 PolarHBondContact O-N 3.17Å; C69-L73 WeakPolarHBondContact O-CG 3.29Å; C69-L73 PolarHBondContact O-N 3.11Å
70I96.5Very high92.6Very high0 Ų031.3 Ų31.30%015%0.152CC..Hα-helixtrans-58.4-46.7173.5-68.5166.6000110.3L58 A61 V62 A66 L72 L73 L74 V104 L107 I108L58-I70 HydrophobicContact CD1-CB 4.39Å; L58-I70 HydrophobicContact CD1-CG1 4.16Å; L58-I70 HydrophobicContact CD1-CG2 3.93Å; A61-I70 HydrophobicContact CB-CD1 4.33Å; A61-I70 HydrophobicContact CB-CG1 3.59Å; V62-I70 HydrophobicContact CG2-CD1 3.89Å; A66-I70 VanDerWaalsContact O-CG1 3.26Å; A66-I70 WeakPolarHBondContact O-CG1 3.3Å; A66-I70 PolarHBondContact O-N 3.2Å; I70-L72 PolarHBondContact O-N 2.82Å; I70-L73 PolarHBondContact O-N 3.41Å; I70-L73 VanDerWaalsContact O-N 3.11Å; I70-L74 HydrophobicContact CG2-CD1 3.52Å; I70-L74 HydrophobicContact CG2-CG 4.11Å; I70-L74 WeakPolarHBondContact O-CG 3.24Å; I70-L74 PolarHBondContact O-N 3.02Å; I70-V104 HydrophobicContact CD1-CB 4.31Å; I70-V104 HydrophobicContact CD1-CG1 3.64Å; I70-V104 HydrophobicContact CD1-CG2 3.81Å; I70-L107 HydrophobicContact CB-CD2 3.93Å; I70-L107 HydrophobicContact CG2-CD2 3.53Å; I70-L107 HydrophobicContact CG2-CG 3.98Å; I70-I108 HydrophobicContact CG2-CD1 3.64Å; I70-I108 HydrophobicContact CG2-CG1 4.25Å
71N95.6Very high92.4Very high78 Ų7833.4 Ų33.442%0.41717%0.165SC..Hα-helixtrans-60.4-36.9179.7-172.670.1000111.7S67 R68 C69 N75 L107S67-N71 WeakPolarHBondContact O-CB 3.45Å; S67-N71 PolarHBondContact O-N 3.02Å; R68-N71 PolarHBondContact O-N 3.27Å; C69-N71 VanDerWaalsContact C-N 3.32Å; C69-N71 PolarHBondContact O-N 3.02Å; N71-N75 VanDerWaalsContact O-CB 3.28Å; N71-N75 WeakPolarHBondContact O-CB 3.41Å; N71-N75 PolarHBondContact O-N 2.61Å; N71-N75 PolarHBondContact O-ND2 3.25Å; N71-N75 PolarHBondContact OD1-ND2 3.05Å; N71-N75 VanDerWaalsContact OD1-ND2 3.08Å; N71-L107 HydrophobicContact CB-CD1 4.44Å; N71-L107 HydrophobicContact CB-CD2 3.89Å
72L95.4Very high92.2Very high9 Ų933.6 Ų33.65%0.04717%0.166CC..Hα-helixtrans-63.4-47.1173.417667.5000112.1P24 L27 R28 R68 C69 I70 F78P24-L72 HydrophobicContact CB-CB 4.21Å; P24-L72 HydrophobicContact CB-CD2 4.06Å; P24-L72 VanDerWaalsContact O-CD2 3.23Å; P24-L72 WeakPolarHBondContact O-CD2 3.28Å; L27-L72 HydrophobicContact CB-CD2 4.28Å; L27-L72 HydrophobicContact CD2-CD2 4.23Å; L27-L72 HydrophobicContact CG-CD2 4.24Å; R28-L72 HydrophobicContact CB-CD2 3.97Å; R28-L72 VanDerWaalsContact NH2-CD1 3.34Å; R68-L72 PolarHBondContact O-N 3.42Å; C69-L72 WeakPolarHBondContact O-CB 3.2Å; C69-L72 PolarHBondContact O-N 3.17Å; I70-L72 PolarHBondContact O-N 2.82Å; L72-F78 HydrophobicContact CD1-CD2 4.09Å; L72-F78 HydrophobicContact CD1-CE2 3.84Å; L72-F78 HydrophobicContact CD2-CE2 4.08Å; L72-F78 HydrophobicContact CG-CD2 3.93Å; L72-F78 HydrophobicContact CG-CE2 3.79Å
73L94.7Very high91.9Very high0 Ų035.7 Ų35.70%018%0.176CC..Hα-helixtrans-66.6-39.2-175.9-66.2173.9000112.3L27 L31 L57 L58 C69 I70 F78 Y79 W80L27-L73 HydrophobicContact CD2-CD2 4.25Å; L27-L73 HydrophobicContact CD2-CG 4.3Å; L31-L73 HydrophobicContact CD1-CD2 3.82Å; L57-L73 HydrophobicContact CB-CD1 4.4Å; L58-L73 HydrophobicContact CB-CD1 4.23Å; L58-L73 HydrophobicContact CD1-CD1 4.36Å; C69-L73 WeakPolarHBondContact O-CG 3.29Å; C69-L73 PolarHBondContact O-N 3.11Å; I70-L73 PolarHBondContact O-N 3.41Å; I70-L73 VanDerWaalsContact O-N 3.11Å; L73-F78 WeakPolarHBondContact O-CB 3.34Å; L73-Y79 PolarHBondContact O-N 3.44Å; L73-W80 HydrophobicContact CB-CB 4.41Å; L73-W80 HydrophobicContact CB-CD2 4.23Å; L73-W80 HydrophobicContact CB-CE3 4.39Å; L73-W80 HydrophobicContact CB-CG 4.27Å; L73-W80 HydrophobicContact CD1-CE3 4.08Å; L73-W80 HydrophobicContact CD1-CZ3 4.19Å; L73-W80 HydrophobicContact CD2-CD2 3.88Å; L73-W80 HydrophobicContact CD2-CE3 4.08Å; L73-W80 HydrophobicContact CD2-CH2 4.16Å; L73-W80 HydrophobicContact CD2-CZ2 3.95Å; L73-W80 HydrophobicContact CD2-CZ3 4.23Å; L73-W80 HydrophobicContact CG-CD2 4.46Å; L73-W80 HydrophobicContact CG-CE3 4.41Å; L73-W80 WeakPolarHBondContact O-CB 3.43Å; L73-W80 PolarHBondContact O-N 3.18Å
74L93.8Very high91.7Very high7 Ų736.7 Ų36.74%0.03718%0.184CC..Hα-helixtrans-81.4-17.8-175.7-64.9176.2000114.7L58 I70 W80 L107 I108 H111L58-L74 HydrophobicContact CD1-CD2 4.13Å; L58-L74 HydrophobicContact CD1-CG 4.25Å; L58-L74 HydrophobicContact CD2-CD2 3.71Å; I70-L74 HydrophobicContact CG2-CD1 3.52Å; I70-L74 HydrophobicContact CG2-CG 4.11Å; I70-L74 WeakPolarHBondContact O-CG 3.24Å; I70-L74 PolarHBondContact O-N 3.02Å; L74-W80 WeakPolarHBondContact CD2-O 3.4Å; L74-L107 HydrophobicContact CD1-CG 4.26Å; L74-I108 HydrophobicContact CD1-CD1 4.07Å; L74-H111 HydrophobicContact CB-CB 4.5Å; L74-H111 VanDerWaalsContact CB-CD2 3.46Å; L74-H111 WeakPolarHBondContact CB-CD2 3.29Å; L74-H111 HydrophobicContact CD1-CB 4.01Å; L74-H111 HydrophobicContact CD2-CB 4.32Å; L74-H111 PolarHBondContact O-CD2 3.21Å
75N91.9Very high91.6Very high44 Ų4438.9 Ų38.924%0.23520%0.198CC..SBendtrans-109.5172.8-176.7-73.6-78.6000110.6N71 F78 Y79 H111N71-N75 VanDerWaalsContact O-CB 3.28Å; N71-N75 WeakPolarHBondContact O-CB 3.41Å; N71-N75 PolarHBondContact O-N 2.61Å; N71-N75 PolarHBondContact O-ND2 3.25Å; N71-N75 PolarHBondContact OD1-ND2 3.05Å; N71-N75 VanDerWaalsContact OD1-ND2 3.08Å; N75-F78 PolarHBondContact O-N 2.83Å; N75-Y79 PolarHBondContact O-N 3.21Å; N75-H111 PolarHBondContact ND2-NE2 3.37Å; N75-H111 PolarHBondContact OD1-NE2 2.99Å
76P87.7Confident91.3Very high76 Ų7639.1 Ų39.149%0.49420%0.2SC..THydrogen-bonded Turntrans-52.4140.11728-18.9000111.8Y79P76-Y79 HydrophobicContact CB-CE1 4.41Å; P76-Y79 HydrophobicContact CB-CE2 3.74Å; P76-Y79 WeakPolarHBondContact CB-OH 3.32Å; P76-Y79 VanDerWaalsContact CD-CE1 3.47Å; P76-Y79 VanDerWaalsContact CD-CZ 3.49Å; P76-Y79 HydrophobicContact CG-CE1 4.18Å; P76-Y79 HydrophobicContact CG-CE2 4.37Å; P76-Y79 VanDerWaalsContact CG-OH 3.28Å; P76-Y79 WeakPolarHBondContact CG-OH 3.43Å
77P88.1Confident90.8Very high54 Ų5445.4 Ų45.435%0.35123%0.228SC..THydrogen-bonded Turncis-91.5-2.49.636.2-36.3000115.4
78F90.1Very high90.2Very high23 Ų2346.9 Ų46.910%0.10123%0.233CC..THydrogen-bonded Turntrans-93.3-42.2-163.4-64.3-68.9000114.5L31 L72 L73 N75 W80L31-F78 HydrophobicContact CB-CE1 3.77Å; L31-F78 HydrophobicContact CB-CZ 3.68Å; L31-F78 HydrophobicContact CD1-CD1 4.33Å; L31-F78 HydrophobicContact CD1-CD2 4.41Å; L31-F78 HydrophobicContact CD1-CE1 3.78Å; L31-F78 HydrophobicContact CD1-CE2 3.86Å; L31-F78 HydrophobicContact CD1-CZ 3.52Å; L31-F78 HydrophobicContact CG-CE1 4.39Å; L31-F78 HydrophobicContact CG-CZ 4.26Å; L72-F78 HydrophobicContact CD1-CD2 4.09Å; L72-F78 HydrophobicContact CD1-CE2 3.84Å; L72-F78 HydrophobicContact CD2-CE2 4.08Å; L72-F78 HydrophobicContact CG-CD2 3.93Å; L72-F78 HydrophobicContact CG-CE2 3.79Å; L73-F78 WeakPolarHBondContact O-CB 3.34Å; N75-F78 PolarHBondContact O-N 2.83Å; F78-W80 VanDerWaalsContact C-N 3.29Å; F78-W80 PolarHBondContact O-N 3.36Å
79Y89.8Confident89.6Confident158 Ų15842.1 Ų42.162%0.6223%0.225SC*.  trans52.739.4178.4-59.7-79.9000115.3L73 N75 P76L73-Y79 PolarHBondContact O-N 3.44Å; N75-Y79 PolarHBondContact O-N 3.21Å; P76-Y79 HydrophobicContact CB-CE1 4.41Å; P76-Y79 HydrophobicContact CB-CE2 3.74Å; P76-Y79 WeakPolarHBondContact CB-OH 3.32Å; P76-Y79 VanDerWaalsContact CD-CE1 3.47Å; P76-Y79 VanDerWaalsContact CD-CZ 3.49Å; P76-Y79 HydrophobicContact CG-CE1 4.18Å; P76-Y79 HydrophobicContact CG-CE2 4.37Å; P76-Y79 VanDerWaalsContact CG-OH 3.28Å; P76-Y79 WeakPolarHBondContact CG-OH 3.43Å
80W91.8Very high89.1Confident6 Ų642.9 Ų42.92%0.02323%0.229CC..  trans-60.8140.7-179.8-74.917.6000111.9L31 V43 T44 E45 N56 L57 L58 L73 L74 F78 S82L31-W80 HydrophobicContact CD2-CZ2 4.46Å; V43-W80 HydrophobicContact CG1-CZ2 4.4Å; V43-W80 PolarHBondContact O-NE1 3.46Å; V43-W80 VanDerWaalsContact O-NE1 3.07Å; T44-W80 WeakPolarHBondContact O-CZ2 3.42Å; E45-W80 HydrophobicContact CB-CB 4.47Å; E45-W80 HydrophobicContact CB-CD2 4.05Å; E45-W80 HydrophobicContact CB-CE3 3.94Å; E45-W80 HydrophobicContact CB-CG 4.29Å; E45-W80 HydrophobicContact CB-CZ3 4.42Å; N56-W80 HydrophobicContact CB-CZ3 4.18Å; L57-W80 HydrophobicContact CB-CH2 3.6Å; L57-W80 HydrophobicContact CB-CZ3 3.54Å; L57-W80 HydrophobicContact CD1-CH2 3.84Å; L57-W80 HydrophobicContact CG-CH2 3.91Å; L57-W80 HydrophobicContact CG-CZ3 4.32Å; L58-W80 HydrophobicContact CB-CE3 3.86Å; L58-W80 HydrophobicContact CB-CZ3 4.31Å; L73-W80 HydrophobicContact CB-CB 4.41Å; L73-W80 HydrophobicContact CB-CD2 4.23Å; L73-W80 HydrophobicContact CB-CE3 4.39Å; L73-W80 HydrophobicContact CB-CG 4.27Å; L73-W80 HydrophobicContact CD1-CE3 4.08Å; L73-W80 HydrophobicContact CD1-CZ3 4.19Å; L73-W80 HydrophobicContact CD2-CD2 3.88Å; L73-W80 HydrophobicContact CD2-CE3 4.08Å; L73-W80 HydrophobicContact CD2-CH2 4.16Å; L73-W80 HydrophobicContact CD2-CZ2 3.95Å; L73-W80 HydrophobicContact CD2-CZ3 4.23Å; L73-W80 HydrophobicContact CG-CD2 4.46Å; L73-W80 HydrophobicContact CG-CE3 4.41Å; L73-W80 WeakPolarHBondContact O-CB 3.43Å; L73-W80 PolarHBondContact O-N 3.18Å; L74-W80 WeakPolarHBondContact CD2-O 3.4Å; F78-W80 VanDerWaalsContact C-N 3.29Å; F78-W80 PolarHBondContact O-N 3.36Å; W80-S82 PolarHBondContact O-N 3.38Å
81N88.4Confident88.7Confident73 Ų7343.8 Ų43.839%0.3923%0.234SC..  trans-68.9120.4-179.9-175.20.4000112.1E45 E83E45-N81 WeakPolarHBondContact OE1-CB 3.37Å; N81-E83 VanDerWaalsContact C-N 3.27Å; N81-E83 PolarHBondContact O-N 3.48Å; N81-E83 WeakPolarHBondContact OD1-CB 3.49Å; N81-E83 PolarHBondContact OD1-N 2.98Å
82S88.3Confident88.5Confident4 Ų440.1 Ų40.13%0.02822%0.215CC..THydrogen-bonded Turntrans-76.6-9.2177.164.60000114.6W80 P92 H111 S112W80-S82 PolarHBondContact O-N 3.38Å; S82-P92 VanDerWaalsContact O-CD 3.23Å; S82-P92 WeakPolarHBondContact O-CD 3.08Å; S82-P92 WeakPolarHBondContact O-CG 3.44Å; S82-H111 PolarHBondContact OG-O 2.9Å; S82-S112 WeakPolarHBondContact OG-CA 3.44Å; S82-S112 PolarHBondContact OG-N 2.68Å
83E86.5Confident88.1Confident44 Ų4439.9 Ų39.921%0.20621%0.213CC..THydrogen-bonded Turntrans-105.80.3-174.3-58.1-56123.400113.4N81 P85 S112 Y116N81-E83 VanDerWaalsContact C-N 3.27Å; N81-E83 PolarHBondContact O-N 3.48Å; N81-E83 WeakPolarHBondContact OD1-CB 3.49Å; N81-E83 PolarHBondContact OD1-N 2.98Å; E83-P85 WeakPolarHBondContact O-CD 3.47Å; E83-S112 VanDerWaalsContact OE1-CA 3.24Å; E83-S112 WeakPolarHBondContact OE1-CA 3.46Å; E83-S112 WeakPolarHBondContact OE1-CB 3.34Å; E83-S112 PolarHBondContact OE1-OG 2.98Å; E83-Y116 WeakPolarHBondContact OE2-CB 3.45Å
84S86.2Confident87.7Confident25 Ų2540.2 Ų40.218%0.17522%0.215CC..  trans-67.5116.2179-171.40000110H59 P92H59-S84 PolarHBondContact CE1-O 3.45Å; H59-S84 PolarHBondContact NE2-O 2.95Å; H59-S84 VanDerWaalsContact NE2-O 3.17Å; S84-P92 WeakPolarHBondContact O-CD 3.22Å
85P86.8Confident87.3Confident54 Ų5440 Ų4035%0.35121%0.214SC..  trans-83.6146-178.333.1-32.9000112E83 H90E83-P85 WeakPolarHBondContact O-CD 3.47Å; P85-H90 WeakPolarHBondContact CA-O 3.18Å
86N85.7Confident87.1Confident5 Ų537.9 Ų37.93%0.02720%0.203CC..  trans-72.1179.6166.876.45.3000111.5I53 E55 L88 G89 H90I53-N86 WeakPolarHBondContact O-CB 3.36Å; E55-N86 HydrophobicContact CG-CB 3.75Å; E55-N86 PolarHBondContact OE1-ND2 3.49Å; N86-L88 PolarHBondContact O-N 3.02Å; N86-L88 VanDerWaalsContact O-N 3.16Å; N86-L88 WeakPolarHBondContact OD1-CA 3.37Å; N86-L88 WeakPolarHBondContact OD1-CB 3.26Å; N86-L88 PolarHBondContact OD1-N 3.45Å; N86-G89 WeakPolarHBondContact O-CA 3.4Å; N86-G89 PolarHBondContact O-N 2.94Å; N86-G89 PolarHBondContact OD1-N 3.1Å; N86-H90 PolarHBondContact N-O 2.73Å; N86-H90 PolarHBondContact OD1-N 2.76Å; N86-H90 PolarHBondContact OD1-O 3.02Å
87F83Confident86.9Confident133 Ų13334.4 Ų34.458%0.58318%0.18SC*.THydrogen-bonded Turntrans-63.1-21-179.1-77.2-35.6000114.6H51 Q52 I53 R54 G89H51-F87 WeakPolarHBondContact O-CE2 3.45Å; Q52-F87 WeakPolarHBondContact O-CD2 3.46Å; I53-F87 VanDerWaalsContact C-CD2 3.48Å; I53-F87 PolarHBondContact O-N 2.9Å; R54-F87 HydrophobicContact CB-CD1 3.74Å; R54-F87 HydrophobicContact CB-CD2 3.81Å; R54-F87 HydrophobicContact CB-CE1 3.81Å; R54-F87 HydrophobicContact CB-CE2 3.88Å; R54-F87 HydrophobicContact CB-CG 3.73Å; R54-F87 HydrophobicContact CB-CZ 3.87Å; R54-F87 HydrophobicContact CG-CD1 4.41Å; R54-F87 HydrophobicContact CG-CE1 4.19Å; R54-F87 HydrophobicContact CG-CZ 4.4Å; F87-G89 PolarHBondContact O-N 3.36Å
88L81.6Confident86.5Confident58 Ų5836.7 Ų36.730%0.30418%0.182SC..THydrogen-bonded Turntrans-84.44.7173.9-55.4174.2000112.3N86 H90 K119 I346 Y351N86-L88 PolarHBondContact O-N 3.02Å; N86-L88 VanDerWaalsContact O-N 3.16Å; N86-L88 WeakPolarHBondContact OD1-CA 3.37Å; N86-L88 WeakPolarHBondContact OD1-CB 3.26Å; N86-L88 PolarHBondContact OD1-N 3.45Å; L88-H90 WeakPolarHBondContact CB-ND1 3.39Å; L88-H90 PolarHBondContact O-N 3.43Å; L88-K119 PolarHBondContact O-NZ 3.13Å; L88-I346 HydrophobicContact CD1-CG2 3.64Å; L88-Y351 HydrophobicContact CD1-CE2 3.62Å
89G84Confident85.9Confident33 Ų3337.3 Ų37.334%0.3418%0.183SC..SBendtrans69.616.9-175.400000113.3N86 F87 K119N86-G89 WeakPolarHBondContact O-CA 3.4Å; N86-G89 PolarHBondContact O-N 2.94Å; N86-G89 PolarHBondContact OD1-N 3.1Å; F87-G89 PolarHBondContact O-N 3.36Å; G89-K119 WeakPolarHBondContact O-CE 3.19Å; G89-K119 PolarHBondContact O-NZ 3.34Å
90H85Confident85.4Confident17 Ų1732.3 Ų32.38%0.07917%0.166CC..  trans-88.3126.9176.8-62.2125.6000110H59 P85 N86 L88 D94 L95 R98 K119 Y351H59-H90 PolarHBondContact NE2-O 3.22Å; P85-H90 WeakPolarHBondContact CA-O 3.18Å; N86-H90 PolarHBondContact N-O 2.73Å; N86-H90 PolarHBondContact OD1-N 2.76Å; N86-H90 PolarHBondContact OD1-O 3.02Å; L88-H90 WeakPolarHBondContact CB-ND1 3.39Å; L88-H90 PolarHBondContact O-N 3.43Å; H90-D94 WeakPolarHBondContact CA-OD2 3.28Å; H90-D94 HydrophobicContact CB-CB 4.16Å; H90-L95 HydrophobicContact CB-CD2 4.03Å; H90-L95 HydrophobicContact CB-CG 4.21Å; H90-R98 PolarHBondContact CD2-NH2 2.63Å; H90-R98 PolarHBondContact CE1-NH1 2.91Å; H90-R98 PolarHBondContact NE2-NH1 2.59Å; H90-R98 PolarHBondContact NE2-NH2 2.79Å; H90-K119 PolarHBondContact CD2-NZ 3.38Å; H90-K119 PolarHBondContact NE2-NZ 3.45Å; H90-Y351 AromaticContact ND1-CZ 3.84Å; H90-Y351 PolarHBondContact ND1-OH 3.37Å
91T88.5Confident85.1Confident19 Ų1933.3 Ų33.312%0.11717%0.17CC..  trans-79.8161.8168.663.70000110.6L93 D94 L95T91-L93 PolarHBondContact O-N 3.12Å; T91-L93 VanDerWaalsContact O-N 3.17Å; T91-L93 PolarHBondContact OG1-N 3.07Å; T91-D94 PolarHBondContact N-OD2 3.25Å; T91-D94 WeakPolarHBondContact O-CB 3.36Å; T91-D94 PolarHBondContact O-N 3.47Å; T91-D94 VanDerWaalsContact O-N 3.08Å; T91-D94 PolarHBondContact OG1-N 3.2Å; T91-D94 VanDerWaalsContact OG1-N 3.1Å; T91-D94 PolarHBondContact OG1-OD2 2.97Å; T91-L95 WeakPolarHBondContact O-CG 3.28Å; T91-L95 PolarHBondContact O-N 2.81Å; T91-L95 VanDerWaalsContact O-N 3.11Å
92P90.5Very high85.1Confident0 Ų030 Ų300%015%0.151CC..Hα-helixtrans-48.6-35.2166-30.533.9000114L58 V62 S82 S84 A96 I108L58-P92 HydrophobicContact CD2-CB 4.18Å; L58-P92 HydrophobicContact CD2-CG 3.82Å; L58-P92 HydrophobicContact CG-CB 4.15Å; L58-P92 HydrophobicContact CG-CG 4Å; V62-P92 HydrophobicContact CG2-CB 4.18Å; S82-P92 VanDerWaalsContact O-CD 3.23Å; S82-P92 WeakPolarHBondContact O-CD 3.08Å; S82-P92 WeakPolarHBondContact O-CG 3.44Å; S84-P92 WeakPolarHBondContact O-CD 3.22Å; P92-A96 WeakPolarHBondContact O-CB 3.09Å; P92-A96 PolarHBondContact O-N 3.17Å; P92-I108 HydrophobicContact CB-CD1 4.07Å; P92-I108 HydrophobicContact CB-CG2 4.26Å
93L88.7Confident85.3Confident4 Ų431.3 Ų31.32%0.02116%0.16CC..Hα-helixtrans-69.2-44.7176.6-176.456.3000111.6T91 L95 A96 M97 I108 A109 Y116T91-L93 PolarHBondContact O-N 3.12Å; T91-L93 VanDerWaalsContact O-N 3.17Å; T91-L93 PolarHBondContact OG1-N 3.07Å; L93-L95 PolarHBondContact O-N 3.4Å; L93-A96 PolarHBondContact O-N 2.97Å; L93-A96 VanDerWaalsContact O-N 3.08Å; L93-M97 HydrophobicContact CD1-CG 4.13Å; L93-M97 HydrophobicContact CD1-SD 4.5Å; L93-M97 HydrophobicContact CG-CG 4.34Å; L93-M97 WeakPolarHBondContact O-CG 3.18Å; L93-M97 PolarHBondContact O-N 2.7Å; L93-I108 HydrophobicContact CB-CG2 3.72Å; L93-I108 HydrophobicContact CD1-CB 4.38Å; L93-I108 HydrophobicContact CD1-CG2 4.05Å; L93-I108 HydrophobicContact CG-CG2 4.46Å; L93-A109 HydrophobicContact CD1-CB 3.9Å; L93-Y116 HydrophobicContact CD2-CD2 4.24Å; L93-Y116 HydrophobicContact CD2-CE2 3.96Å
94D85.3Confident85.6Confident8 Ų829.3 Ų29.34%0.04315%0.151CC..Hα-helixtrans-56.5-42.4176.9-65.2-51.3000111.3H90 T91 R98 H121H90-D94 WeakPolarHBondContact CA-OD2 3.28Å; H90-D94 HydrophobicContact CB-CB 4.16Å; T91-D94 PolarHBondContact N-OD2 3.25Å; T91-D94 WeakPolarHBondContact O-CB 3.36Å; T91-D94 PolarHBondContact O-N 3.47Å; T91-D94 VanDerWaalsContact O-N 3.08Å; T91-D94 PolarHBondContact OG1-N 3.2Å; T91-D94 VanDerWaalsContact OG1-N 3.1Å; T91-D94 PolarHBondContact OG1-OD2 2.97Å; D94-R98 WeakPolarHBondContact O-CG 3.47Å; D94-R98 PolarHBondContact O-N 3.42Å; D94-H121 IonicContact OD1-CE1 3.46Å; D94-H121 IonicContact OD1-NE2 2.76Å
95L86.2Confident85.8Confident2 Ų228.1 Ų28.11%0.0114%0.143CC..Hα-helixtrans-69.1-36178-64.8178.7000112.6H59 V62 H63 H90 T91 L93 Y351H59-L95 HydrophobicContact CB-CD1 4.1Å; V62-L95 HydrophobicContact CG1-CB 3.72Å; H63-L95 WeakPolarHBondContact NE2-CD1 3.38Å; H90-L95 HydrophobicContact CB-CD2 4.03Å; H90-L95 HydrophobicContact CB-CG 4.21Å; T91-L95 WeakPolarHBondContact O-CG 3.28Å; T91-L95 PolarHBondContact O-N 2.81Å; T91-L95 VanDerWaalsContact O-N 3.11Å; L93-L95 PolarHBondContact O-N 3.4Å; L95-Y351 HydrophobicContact CD2-CE1 3.68Å
96A88.2Confident86.1Confident0 Ų026.4 Ų26.40%013%0.129CC..Hα-helixtrans-68.7-45.4177.400000110.9V62 P92 L93 R98 R99 H100 V104 V105 I108V62-A96 HydrophobicContact CG1-CB 3.92Å; P92-A96 WeakPolarHBondContact O-CB 3.09Å; P92-A96 PolarHBondContact O-N 3.17Å; L93-A96 PolarHBondContact O-N 2.97Å; L93-A96 VanDerWaalsContact O-N 3.08Å; A96-R98 VanDerWaalsContact C-N 3.27Å; A96-R98 PolarHBondContact O-N 2.8Å; A96-R99 PolarHBondContact O-N 3.2Å; A96-H100 PolarHBondContact O-N 2.81Å; A96-V104 HydrophobicContact CB-CG1 3.92Å; A96-V105 HydrophobicContact CB-CG2 4Å; A96-V105 VanDerWaalsContact O-CG2 3.23Å; A96-V105 WeakPolarHBondContact O-CG2 3.29Å; A96-I108 HydrophobicContact CB-CG1 4.49Å
97M83.4Confident86.5Confident3 Ų327.3 Ų27.32%0.01513%0.134CC..Hα-helixtrans-57.5-39179.9-74.5-58.9-59.900112.3L93 R99 H100 V105 D126 L127L93-M97 HydrophobicContact CD1-CG 4.13Å; L93-M97 HydrophobicContact CD1-SD 4.5Å; L93-M97 HydrophobicContact CG-CG 4.34Å; L93-M97 WeakPolarHBondContact O-CG 3.18Å; L93-M97 PolarHBondContact O-N 2.7Å; M97-R99 PolarHBondContact O-N 3.41Å; M97-H100 PolarHBondContact O-CE1 3.15Å; M97-H100 VanDerWaalsContact O-CE1 3.23Å; M97-H100 PolarHBondContact O-N 3.31Å; M97-H100 PolarHBondContact O-ND1 2.83Å; M97-V105 HydrophobicContact SD-CG1 3.42Å; M97-V105 WeakPolarHBondContact SD-CG1 3.43Å; M97-V105 HydrophobicContact SD-CG2 4.48Å; M97-D126 HydrophobicContact CE-CB 4.21Å; M97-D126 HydrophobicContact SD-CB 4.47Å; M97-L127 HydrophobicContact CE-CB 3.79Å; M97-L127 HydrophobicContact CE-CD1 3.93Å; M97-L127 HydrophobicContact CE-CG 4.48Å
98R78Confident86.9Confident101 Ų10121 Ų2138%0.38111%0.106SC..THydrogen-bonded Turntrans-68.2-18.9176.7-69.8178-175.7-179.83.4114.5H90 D94 A96 H100H90-R98 PolarHBondContact CD2-NH2 2.63Å; H90-R98 PolarHBondContact CE1-NH1 2.91Å; H90-R98 PolarHBondContact NE2-NH1 2.59Å; H90-R98 PolarHBondContact NE2-NH2 2.79Å; D94-R98 WeakPolarHBondContact O-CG 3.47Å; D94-R98 PolarHBondContact O-N 3.42Å; A96-R98 VanDerWaalsContact C-N 3.27Å; A96-R98 PolarHBondContact O-N 2.8Å; R98-H100 PolarHBondContact O-CD2 3.22Å
99R77.5Confident87.4Confident36 Ų3618.2 Ų18.214%0.1369%0.092CC..THydrogen-bonded Turntrans-93.1-14.6179.3-75.7-161.4165.582.9-2.3113.9H63 A96 M97 Y101 V331H63-R99 VanDerWaalsContact CA-NH1 3.34Å; H63-R99 PolarHBondContact ND1-NH1 3.24Å; H63-R99 VanDerWaalsContact ND1-NH1 3.16Å; H63-R99 PolarHBondContact ND1-NH2 3.33Å; H63-R99 PolarHBondContact O-NH2 2.72Å; H63-R99 VanDerWaalsContact O-NH2 3.1Å; A96-R99 PolarHBondContact O-N 3.2Å; M97-R99 PolarHBondContact O-N 3.41Å; R99-Y101 PolarHBondContact O-N 3.27Å; R99-Y101 VanDerWaalsContact O-N 3.08Å; R99-V331 VanDerWaalsContact NH2-CG2 3.33Å
100H79.4Confident87.8Confident54 Ų5417.3 Ų17.325%0.258%0.081CC..THydrogen-bonded Turntrans56.526.5-180-57.6-69.2000113.6A96 M97 R98 D126 Y162A96-H100 PolarHBondContact O-N 2.81Å; M97-H100 PolarHBondContact O-CE1 3.15Å; M97-H100 VanDerWaalsContact O-CE1 3.23Å; M97-H100 PolarHBondContact O-N 3.31Å; M97-H100 PolarHBondContact O-ND1 2.83Å; R98-H100 PolarHBondContact O-CD2 3.22Å; H100-D126 VanDerWaalsContact CA-OD2 3.24Å; H100-D126 WeakPolarHBondContact CA-OD2 3.11Å; H100-D126 WeakPolarHBondContact CB-OD2 3.45Å; H100-D126 IonicContact CG-OD2 3.57Å; H100-D126 IonicContact ND1-OD2 3.22Å; H100-D126 PolarHBondContact ND1-OD2 2.66Å; H100-Y162 HydrophobicContact CB-CD1 4.46Å; H100-Y162 HydrophobicContact CB-CE1 3.53Å; H100-Y162 WeakPolarHBondContact O-CE1 3.28Å; H100-Y162 VanDerWaalsContact O-CZ 3.25Å; H100-Y162 PolarHBondContact O-OH 2.73Å
101Y86Confident88Confident27 Ų2718 Ų1811%0.1068%0.083CC..  trans-98.395.2179.2-174.2-127.8000110.9R99 P103 V104 V105 L323 V328R99-Y101 PolarHBondContact O-N 3.27Å; R99-Y101 VanDerWaalsContact O-N 3.08Å; Y101-P103 VanDerWaalsContact C-CD 3.47Å; Y101-P103 HydrophobicContact CD1-CB 4.42Å; Y101-P103 HydrophobicContact CD2-CG 4.27Å; Y101-P103 HydrophobicContact CE1-CB 3.87Å; Y101-P103 HydrophobicContact CE1-CG 4.04Å; Y101-P103 HydrophobicContact CE2-CB 4.45Å; Y101-P103 HydrophobicContact CE2-CG 3.71Å; Y101-V104 HydrophobicContact CD1-CB 3.93Å; Y101-V104 HydrophobicContact CD1-CG2 3.51Å; Y101-V104 HydrophobicContact CE1-CG2 3.88Å; Y101-V104 WeakPolarHBondContact O-CA 3.36Å; Y101-V104 PolarHBondContact O-N 2.92Å; Y101-V105 WeakPolarHBondContact O-CG2 3.28Å; Y101-V105 PolarHBondContact O-N 2.76Å; Y101-L323 HydrophobicContact CD2-CD2 4.08Å; Y101-L323 HydrophobicContact CE2-CB 4.47Å; Y101-V328 HydrophobicContact CD2-CG2 3.82Å; Y101-V328 HydrophobicContact CE2-CG2 4.28Å; Y101-V328 HydrophobicContact CG-CG2 4Å
102L89.3Confident87.9Confident2 Ų217.1 Ų17.11%0.018%0.078CC..Hα-helixtrans-48.4-43.8-173.5-79.9175.6000115.7V104 V105 Y106 D126 L129 L176 W320L102-V104 PolarHBondContact O-N 2.99Å; L102-V104 VanDerWaalsContact O-N 3.12Å; L102-V105 PolarHBondContact O-N 3.11Å; L102-Y106 VanDerWaalsContact O-CB 3.25Å; L102-Y106 WeakPolarHBondContact O-CB 3.05Å; L102-Y106 PolarHBondContact O-N 3.12Å; L102-D126 HydrophobicContact CD2-CB 4.01Å; L102-D126 WeakPolarHBondContact CD2-OD1 3.24Å; L102-D126 WeakPolarHBondContact CG-OD1 3.26Å; L102-L129 HydrophobicContact CD2-CD2 3.84Å; L102-L176 HydrophobicContact CD1-CD2 3.44Å; L102-L176 VanDerWaalsContact CD1-CD2 3.44Å; L102-W320 HydrophobicContact CB-CD2 3.92Å; L102-W320 HydrophobicContact CB-CE3 4.25Å; L102-W320 HydrophobicContact CB-CG 4.09Å; L102-W320 HydrophobicContact CD1-CB 4Å; L102-W320 HydrophobicContact CD1-CD2 4.32Å; L102-W320 HydrophobicContact CD1-CG 3.67Å
103P91.7Very high87.2Confident33 Ų3322.4 Ų22.421%0.21411%0.107CC..Hα-helixtrans-56.8-29.5176.9-28.137.2000113.9Y101 L107 W320Y101-P103 VanDerWaalsContact C-CD 3.47Å; Y101-P103 HydrophobicContact CD1-CB 4.42Å; Y101-P103 HydrophobicContact CD2-CG 4.27Å; Y101-P103 HydrophobicContact CE1-CB 3.87Å; Y101-P103 HydrophobicContact CE1-CG 4.04Å; Y101-P103 HydrophobicContact CE2-CB 4.45Å; Y101-P103 HydrophobicContact CE2-CG 3.71Å; P103-L107 WeakPolarHBondContact O-CB 3.39Å; P103-W320 HydrophobicContact CB-CZ3 4.13Å; P103-W320 HydrophobicContact CG-CE3 3.93Å; P103-W320 HydrophobicContact CG-CZ3 3.96Å
104V92.6Very high86Confident2 Ų223.7 Ų23.71%0.01212%0.116CC..Hα-helixtrans-90.5-47.1176.2169.20000111.2V62 I70 A96 Y101 L102 Y106 L107 I108V62-V104 HydrophobicContact CG1-CG1 4.25Å; V62-V104 HydrophobicContact CG2-CG1 4.14Å; I70-V104 HydrophobicContact CD1-CB 4.31Å; I70-V104 HydrophobicContact CD1-CG1 3.64Å; I70-V104 HydrophobicContact CD1-CG2 3.81Å; A96-V104 HydrophobicContact CB-CG1 3.92Å; Y101-V104 HydrophobicContact CD1-CB 3.93Å; Y101-V104 HydrophobicContact CD1-CG2 3.51Å; Y101-V104 HydrophobicContact CE1-CG2 3.88Å; Y101-V104 WeakPolarHBondContact O-CA 3.36Å; Y101-V104 PolarHBondContact O-N 2.92Å; L102-V104 PolarHBondContact O-N 2.99Å; L102-V104 VanDerWaalsContact O-N 3.12Å; V104-Y106 PolarHBondContact O-N 2.84Å; V104-L107 PolarHBondContact O-N 2.85Å; V104-I108 HydrophobicContact CG1-CG1 4.25Å; V104-I108 VanDerWaalsContact O-CG1 3.24Å; V104-I108 WeakPolarHBondContact O-CG1 3.32Å; V104-I108 PolarHBondContact O-N 3.21Å
105V90.6Very high84.9Confident0 Ų025 Ų250%013%0.125CC..Hα-helixtrans-55.1-53.8179172.30000111.2A96 M97 Y101 L102 L107 I108 A109 D126 I130A96-V105 HydrophobicContact CB-CG2 4Å; A96-V105 VanDerWaalsContact O-CG2 3.23Å; A96-V105 WeakPolarHBondContact O-CG2 3.29Å; M97-V105 HydrophobicContact SD-CG1 3.42Å; M97-V105 WeakPolarHBondContact SD-CG1 3.43Å; M97-V105 HydrophobicContact SD-CG2 4.48Å; Y101-V105 WeakPolarHBondContact O-CG2 3.28Å; Y101-V105 PolarHBondContact O-N 2.76Å; L102-V105 PolarHBondContact O-N 3.11Å; V105-L107 VanDerWaalsContact C-N 3.34Å; V105-L107 PolarHBondContact O-N 3.04Å; V105-I108 PolarHBondContact O-N 2.89Å; V105-A109 VanDerWaalsContact O-CB 3.26Å; V105-A109 WeakPolarHBondContact O-CB 3.48Å; V105-A109 PolarHBondContact O-N 3.19Å; V105-D126 HydrophobicContact CG1-CB 4.17Å; V105-I130 HydrophobicContact CG1-CD1 4.43Å; V105-I130 HydrophobicContact CG1-CG1 3.84Å
106Y92.9Very high83.7Confident17 Ų1725.6 Ų25.67%0.06713%0.127CC..Hα-helixtrans-66.4-38.8-177.3-164.9-85.5000112L102 V104 S110 L129 I130 Y297 A298 S315 W320L102-Y106 VanDerWaalsContact O-CB 3.25Å; L102-Y106 WeakPolarHBondContact O-CB 3.05Å; L102-Y106 PolarHBondContact O-N 3.12Å; V104-Y106 PolarHBondContact O-N 2.84Å; Y106-S110 VanDerWaalsContact O-CB 3.27Å; Y106-S110 WeakPolarHBondContact O-CB 3.4Å; Y106-S110 PolarHBondContact O-N 2.99Å; Y106-S110 PolarHBondContact O-OG 3.24Å; Y106-L129 HydrophobicContact CD2-CD2 3.71Å; Y106-L129 HydrophobicContact CD2-CG 4.08Å; Y106-L129 HydrophobicContact CE2-CD1 4.31Å; Y106-L129 HydrophobicContact CE2-CD2 4.12Å; Y106-L129 HydrophobicContact CE2-CG 4.14Å; Y106-I130 HydrophobicContact CD2-CD1 3.5Å; Y106-I130 VanDerWaalsContact CD2-CD1 3.5Å; Y106-I130 HydrophobicContact CE2-CD1 4.09Å; Y106-I130 HydrophobicContact CG-CD1 4.21Å; Y106-Y297 HydrophobicContact CE2-CD1 4.44Å; Y106-A298 HydrophobicContact CD1-CB 4.28Å; Y106-A298 HydrophobicContact CD2-CB 3.94Å; Y106-A298 HydrophobicContact CE1-CB 3.97Å; Y106-A298 HydrophobicContact CE2-CB 3.58Å; Y106-A298 HydrophobicContact CG-CB 4.27Å; Y106-S315 WeakPolarHBondContact CE1-OG 3.46Å; Y106-S315 VanDerWaalsContact OH-CB 3.29Å; Y106-S315 WeakPolarHBondContact OH-CB 3.32Å; Y106-S315 PolarHBondContact OH-OG 2.84Å; Y106-W320 HydrophobicContact CD1-CH2 4.41Å; Y106-W320 HydrophobicContact CD1-CZ2 4.2Å; Y106-W320 HydrophobicContact CD2-CZ2 4.25Å; Y106-W320 HydrophobicContact CG-CH2 4.27Å; Y106-W320 AromaticContact CG-CZ2 3.81Å; Y106-W320 HydrophobicContact CG-CZ2 3.81Å
107L93.6Very high82.1Confident24 Ų2430.8 Ų30.813%0.12616%0.163CC..Hα-helixtrans-61.8-50178.1176.760.5000111.1S67 I70 N71 L74 P103 V104 V105 S110 H111S67-L107 VanDerWaalsContact O-CD2 3.28Å; S67-L107 WeakPolarHBondContact O-CD2 3.37Å; I70-L107 HydrophobicContact CB-CD2 3.93Å; I70-L107 HydrophobicContact CG2-CD2 3.53Å; I70-L107 HydrophobicContact CG2-CG 3.98Å; N71-L107 HydrophobicContact CB-CD1 4.44Å; N71-L107 HydrophobicContact CB-CD2 3.89Å; L74-L107 HydrophobicContact CD1-CG 4.26Å; P103-L107 WeakPolarHBondContact O-CB 3.39Å; V104-L107 PolarHBondContact O-N 2.85Å; V105-L107 VanDerWaalsContact C-N 3.34Å; V105-L107 PolarHBondContact O-N 3.04Å; L107-S110 PolarHBondContact O-N 2.9Å; L107-S110 PolarHBondContact O-OG 3.36Å; L107-H111 PolarHBondContact O-N 2.86Å; L107-H111 PolarHBondContact O-ND1 3.4Å
108I93Very high80.8Confident0 Ų033 Ų330%017%0.172CC..Hα-helixtrans-62.2-51.8177.6-62.5-79.3000110L58 V62 I70 L74 P92 L93 A96 V104 V105 S110 H111 S112L58-I108 HydrophobicContact CD1-CD1 3.92Å; L58-I108 HydrophobicContact CG-CD1 4.46Å; V62-I108 HydrophobicContact CG2-CD1 3.75Å; V62-I108 HydrophobicContact CG2-CG1 4.12Å; I70-I108 HydrophobicContact CG2-CD1 3.64Å; I70-I108 HydrophobicContact CG2-CG1 4.25Å; L74-I108 HydrophobicContact CD1-CD1 4.07Å; P92-I108 HydrophobicContact CB-CD1 4.07Å; P92-I108 HydrophobicContact CB-CG2 4.26Å; L93-I108 HydrophobicContact CB-CG2 3.72Å; L93-I108 HydrophobicContact CD1-CB 4.38Å; L93-I108 HydrophobicContact CD1-CG2 4.05Å; L93-I108 HydrophobicContact CG-CG2 4.46Å; A96-I108 HydrophobicContact CB-CG1 4.49Å; V104-I108 HydrophobicContact CG1-CG1 4.25Å; V104-I108 VanDerWaalsContact O-CG1 3.24Å; V104-I108 WeakPolarHBondContact O-CG1 3.32Å; V104-I108 PolarHBondContact O-N 3.21Å; V105-I108 PolarHBondContact O-N 2.89Å; I108-S110 PolarHBondContact O-N 3.43Å; I108-S110 VanDerWaalsContact O-N 3.15Å; I108-H111 CarbonylContact O-C 3.27Å; I108-H111 WeakPolarHBondContact O-CA 3.37Å; I108-H111 PolarHBondContact O-N 2.86Å; I108-S112 PolarHBondContact O-N 3.29Å; I108-S112 PolarHBondContact O-OG 3.23Å
109A90.9Very high80.1Confident0 Ų031.5 Ų31.50%017%0.168CC..Hα-helixtrans-58.3-32.9-17900000113.4L93 V105 H111 S112 I130 N296 A298L93-A109 HydrophobicContact CD1-CB 3.9Å; V105-A109 VanDerWaalsContact O-CB 3.26Å; V105-A109 WeakPolarHBondContact O-CB 3.48Å; V105-A109 PolarHBondContact O-N 3.19Å; A109-H111 PolarHBondContact O-N 3.39Å; A109-S112 PolarHBondContact O-N 3.29Å; A109-I130 HydrophobicContact CB-CD1 3.75Å; A109-I130 HydrophobicContact CB-CG1 4.16Å; A109-I130 HydrophobicContact CB-CG2 3.59Å; A109-N296 PolarHBondContact O-ND2 3.28Å; A109-N296 PolarHBondContact O-OD1 2.82Å; A109-N296 VanDerWaalsContact O-OD1 3.07Å; A109-A298 HydrophobicContact CB-CB 4Å
110S92.1Very high79.5Confident15 Ų1537.5 Ų37.511%0.10520%0.195CC..Hα-helixtrans-69.7-19.717677.70000113.7Y106 L107 I108 K302Y106-S110 VanDerWaalsContact O-CB 3.27Å; Y106-S110 WeakPolarHBondContact O-CB 3.4Å; Y106-S110 PolarHBondContact O-N 2.99Å; Y106-S110 PolarHBondContact O-OG 3.24Å; L107-S110 PolarHBondContact O-N 2.9Å; L107-S110 PolarHBondContact O-OG 3.36Å; I108-S110 PolarHBondContact O-N 3.43Å; I108-S110 VanDerWaalsContact O-N 3.15Å; S110-K302 WeakPolarHBondContact O-CD 3.18Å
111H90.9Very high78.9Confident30 Ų3035.6 Ų35.614%0.13919%0.186CC..Hα-helixtrans-100.2-16.3174.9-65.774.7000112.7L74 N75 S82 L107 I108 A109 D113 K302L74-H111 HydrophobicContact CB-CB 4.5Å; L74-H111 VanDerWaalsContact CB-CD2 3.46Å; L74-H111 WeakPolarHBondContact CB-CD2 3.29Å; L74-H111 HydrophobicContact CD1-CB 4.01Å; L74-H111 HydrophobicContact CD2-CB 4.32Å; L74-H111 PolarHBondContact O-CD2 3.21Å; N75-H111 PolarHBondContact ND2-NE2 3.37Å; N75-H111 PolarHBondContact OD1-NE2 2.99Å; S82-H111 PolarHBondContact OG-O 2.9Å; L107-H111 PolarHBondContact O-N 2.86Å; L107-H111 PolarHBondContact O-ND1 3.4Å; I108-H111 CarbonylContact O-C 3.27Å; I108-H111 WeakPolarHBondContact O-CA 3.37Å; I108-H111 PolarHBondContact O-N 2.86Å; A109-H111 PolarHBondContact O-N 3.39Å; H111-D113 PolarHBondContact O-N 2.92Å; H111-K302 PolarHBondContact CD2-NZ 3.16Å; H111-K302 PolarHBondContact CE1-NZ 3.12Å; H111-K302 VanDerWaalsContact CG-NZ 3.27Å; H111-K302 PolarHBondContact ND1-NZ 2.89Å; H111-K302 PolarHBondContact NE2-NZ 2.92Å
112S85.5Confident78Confident1 Ų138.5 Ų38.51%0.00721%0.208CC..SBendtrans-60.3123.4170.5-66.30000111S82 E83 I108 A109 S114S82-S112 WeakPolarHBondContact OG-CA 3.44Å; S82-S112 PolarHBondContact OG-N 2.68Å; E83-S112 VanDerWaalsContact OE1-CA 3.24Å; E83-S112 WeakPolarHBondContact OE1-CA 3.46Å; E83-S112 WeakPolarHBondContact OE1-CB 3.34Å; E83-S112 PolarHBondContact OE1-OG 2.98Å; I108-S112 PolarHBondContact O-N 3.29Å; I108-S112 PolarHBondContact O-OG 3.23Å; A109-S112 PolarHBondContact O-N 3.29Å; S112-S114 PolarHBondContact O-N 3Å
113D75.1Confident77.1Confident112 Ų11239.7 Ų39.760%0.59921%0.213SC*.PPolyproline II helixtrans-70.4130.2172.7-86.7-38.2000110H111 P115H111-D113 PolarHBondContact O-N 2.92Å; D113-P115 CarbonylContact O-C 3.55Å
114S64.5Low76.4Confident31 Ų3138.1 Ų38.122%0.21720%0.204CC..SBendtrans-81.9133.5170.7-179.80000109.1S112 Y294 C295S112-S114 PolarHBondContact O-N 3Å; S114-Y294 PolarHBondContact OG-O 3.24Å; S114-Y294 VanDerWaalsContact OG-O 3.08Å; S114-C295 VanDerWaalsContact OG-CA 3.29Å; S114-C295 WeakPolarHBondContact OG-CA 3.26Å; S114-C295 PolarHBondContact OG-SG 3.15Å
115P60.9Low75.8Confident35 Ų3538.1 Ų38.123%0.22720%0.204CC..SBendcis-100.6140.11.933.6-29000115D113 Y286 K293 Y294D113-P115 CarbonylContact O-C 3.55Å; P115-Y286 HydrophobicContact CB-CE2 4.36Å; P115-Y286 HydrophobicContact CG-CE1 4.18Å; P115-Y286 HydrophobicContact CG-CE2 4.28Å; P115-K293 HydrophobicContact CB-CB 3.24Å; P115-K293 HydrophobicContact CB-CD 4.07Å; P115-K293 HydrophobicContact CB-CG 3.53Å; P115-K293 HydrophobicContact CG-CB 3.46Å; P115-K293 VanDerWaalsContact CG-CB 3.46Å; P115-K293 HydrophobicContact CG-CD 3.27Å; P115-K293 HydrophobicContact CG-CG 3.33Å; P115-Y294 VanDerWaalsContact CA-O 3.29Å; P115-Y294 WeakPolarHBondContact CA-O 3.38Å; P115-Y294 WeakPolarHBondContact CB-O 3.41Å
116Y61.3Low75.4Confident15 Ų1538.3 Ų38.36%0.05920%0.204CC..EExtended strand (participates in β ladder)trans-100.2160.7175.863.2-79.3000111.8E83 L93 E131 N296E83-Y116 WeakPolarHBondContact OE2-CB 3.45Å; L93-Y116 HydrophobicContact CD2-CD2 4.24Å; L93-Y116 HydrophobicContact CD2-CE2 3.96Å; Y116-E131 WeakPolarHBondContact CE2-OE1 3.38Å; Y116-E131 VanDerWaalsContact CZ-OE1 3.31Å; Y116-E131 WeakPolarHBondContact OH-CG 3.4Å; Y116-E131 PolarHBondContact OH-OE1 2.92Å; Y116-N296 HydrophobicContact CE1-CB 3.81Å; Y116-N296 WeakPolarHBondContact CE1-ND2 3.47Å
117S55.9Low74.9Confident108 Ų10837.5 Ų37.576%0.75520%0.201SC*.EExtended strand (participates in β ladder)trans-79115.3176.2-66.60000109.9
118Y55Low74.4Confident51 Ų5136.5 Ų36.520%0.220%0.196CC..  trans-76.1130.5178.1176.3-107.4000111.8K120 H121 L127 E131 Y294Y118-K120 HydrophobicContact CE1-CB 4.07Å; Y118-K120 HydrophobicContact CE1-CG 4.36Å; Y118-H121 PolarHBondContact OH-N 3.09Å; Y118-H121 VanDerWaalsContact OH-N 3.15Å; Y118-H121 PolarHBondContact OH-O 2.96Å; Y118-L127 HydrophobicContact CE2-CD1 4.13Å; Y118-E131 WeakPolarHBondContact CD2-OE1 3.29Å; Y118-E131 WeakPolarHBondContact CD2-OE2 3.43Å; Y118-E131 WeakPolarHBondContact CE2-OE2 3.49Å; Y118-Y294 VanDerWaalsContact CB-CD2 3.41Å; Y118-Y294 HydrophobicContact CD1-CE2 4.13Å; Y118-Y294 HydrophobicContact CG-CD2 4.25Å; Y118-Y294 AromaticContact CG-CE2 3.79Å; Y118-Y294 HydrophobicContact CG-CE2 3.79Å
119K64.2Low74.2Confident69 Ų6936.5 Ų36.530%0.320%0.196SC..  trans-96.1136.7156.8-73.8-176.6169.1-179.60108.2L88 G89 H90 H121L88-K119 PolarHBondContact O-NZ 3.13Å; G89-K119 WeakPolarHBondContact O-CE 3.19Å; G89-K119 PolarHBondContact O-NZ 3.34Å; H90-K119 PolarHBondContact CD2-NZ 3.38Å; H90-K119 PolarHBondContact NE2-NZ 3.45Å; K119-H121 PolarHBondContact O-CD2 3.49Å; K119-H121 PolarHBondContact O-N 2.62Å
120K63.6Low74Confident161 Ų16136.5 Ų36.570%0.720%0.196SC*.  trans-57.7104.3178-166.3174.8-178.7176.40109.8Y118Y118-K120 HydrophobicContact CE1-CB 4.07Å; Y118-K120 HydrophobicContact CE1-CG 4.36Å
121H66.9Low73.4Confident14 Ų1436.2 Ų36.27%0.06519%0.193CC..PPolyproline II helixtrans-90.7146.8171.2-66.1-63.2000109.2D94 Y118 K119 L127D94-H121 IonicContact OD1-CE1 3.46Å; D94-H121 IonicContact OD1-NE2 2.76Å; Y118-H121 PolarHBondContact OH-N 3.09Å; Y118-H121 VanDerWaalsContact OH-N 3.15Å; Y118-H121 PolarHBondContact OH-O 2.96Å; K119-H121 PolarHBondContact O-CD2 3.49Å; K119-H121 PolarHBondContact O-N 2.62Å; H121-L127 HydrophobicContact CB-CD1 4.38Å; H121-L127 HydrophobicContact CB-CD2 4.47Å
122P66.9Low72.2Confident88 Ų8835 Ų3557%0.57119%0.188SC*.PPolyproline II helixtrans-58.3154.9168.827.4-33.9000109.9S124P122-S124 PolarHBondContact O-N 2.98Å
123F72Confident71.1Confident27 Ų2735.5 Ų35.512%0.11819%0.191CC..PPolyproline II helixtrans-58.2137.4174.5-175.5-93.7000109.6L128 I138 W155 L156 S159 L177F123-L128 HydrophobicContact CZ-CD2 4.42Å; F123-I138 HydrophobicContact CD2-CG1 4.4Å; F123-I138 HydrophobicContact CE2-CD1 4.13Å; F123-I138 HydrophobicContact CE2-CG1 3.5Å; F123-I138 VanDerWaalsContact CE2-CG1 3.5Å; F123-I138 HydrophobicContact CZ-CG1 4.1Å; F123-W155 HydrophobicContact CB-CE3 4.38Å; F123-W155 HydrophobicContact CB-CZ3 4.28Å; F123-W155 AromaticContact CD1-CE3 3.82Å; F123-W155 HydrophobicContact CD1-CE3 3.82Å; F123-W155 HydrophobicContact CD1-CH2 4.42Å; F123-W155 AromaticContact CD1-CZ3 3.33Å; F123-W155 HydrophobicContact CD1-CZ3 3.33Å; F123-W155 HydrophobicContact CD2-CZ3 4.08Å; F123-W155 HydrophobicContact CE1-CE3 4.37Å; F123-W155 HydrophobicContact CE1-CH2 4.28Å; F123-W155 AromaticContact CE1-CZ3 3.56Å; F123-W155 HydrophobicContact CE1-CZ3 3.56Å; F123-W155 HydrophobicContact CE2-CZ3 4.25Å; F123-W155 HydrophobicContact CG-CE3 4.15Å; F123-W155 AromaticContact CG-CZ3 3.62Å; F123-W155 HydrophobicContact CG-CZ3 3.62Å; F123-W155 HydrophobicContact CZ-CH2 4.43Å; F123-W155 HydrophobicContact CZ-CZ3 4.01Å; F123-L156 HydrophobicContact CD1-CD1 4.22Å; F123-L156 HydrophobicContact CE1-CD1 3.44Å; F123-L156 VanDerWaalsContact CE1-CD1 3.44Å; F123-L156 HydrophobicContact CZ-CD1 4.18Å; F123-S159 WeakPolarHBondContact CD1-OG 3.15Å; F123-S159 VanDerWaalsContact O-CB 3.25Å; F123-S159 WeakPolarHBondContact O-CB 3.45Å; F123-S159 PolarHBondContact O-OG 3.38Å; F123-L177 HydrophobicContact CE1-CD1 3.99Å; F123-L177 HydrophobicContact CZ-CD1 3.99Å
124S75.8Confident70.3Confident1 Ų130.3 Ų30.31%0.00716%0.164CC..  trans-157.6160.317674.40000110.3P122 D126 L127 L128P122-S124 PolarHBondContact O-N 2.98Å; S124-D126 PolarHBondContact O-N 3.25Å; S124-D126 PolarHBondContact OG-N 3.11Å; S124-L127 PolarHBondContact O-N 3.48Å; S124-L127 WeakPolarHBondContact OG-CB 3.41Å; S124-L127 PolarHBondContact OG-N 3.39Å; S124-L128 PolarHBondContact O-N 3.31Å
125A80.7Confident69.7Low2 Ų231.2 Ų31.22%0.01717%0.168CC..Hα-helixtrans-59.3-36.1171.800000111.4L128 L129 L176 L180A125-L128 PolarHBondContact O-N 3.17Å; A125-L129 WeakPolarHBondContact O-CB 3.27Å; A125-L129 PolarHBondContact O-N 3.09Å; A125-L176 HydrophobicContact CB-CD2 4.22Å; A125-L176 HydrophobicContact CB-CG 4.49Å; A125-L180 WeakPolarHBondContact O-CD1 3.24Å
126D82.7Confident69.6Low3 Ų334 Ų342%0.01618%0.178CC..Hα-helixtrans-62-46.7175-38.6-53.9000111M97 H100 L102 V105 S124 L128 L129 I130M97-D126 HydrophobicContact CE-CB 4.21Å; M97-D126 HydrophobicContact SD-CB 4.47Å; H100-D126 VanDerWaalsContact CA-OD2 3.24Å; H100-D126 WeakPolarHBondContact CA-OD2 3.11Å; H100-D126 WeakPolarHBondContact CB-OD2 3.45Å; H100-D126 IonicContact CG-OD2 3.57Å; H100-D126 IonicContact ND1-OD2 3.22Å; H100-D126 PolarHBondContact ND1-OD2 2.66Å; L102-D126 HydrophobicContact CD2-CB 4.01Å; L102-D126 WeakPolarHBondContact CD2-OD1 3.24Å; L102-D126 WeakPolarHBondContact CG-OD1 3.26Å; V105-D126 HydrophobicContact CG1-CB 4.17Å; S124-D126 PolarHBondContact O-N 3.25Å; S124-D126 PolarHBondContact OG-N 3.11Å; D126-L128 VanDerWaalsContact C-N 3.32Å; D126-L128 PolarHBondContact O-N 3.36Å; D126-L129 PolarHBondContact O-N 3.21Å; D126-I130 WeakPolarHBondContact O-CB 3.49Å; D126-I130 VanDerWaalsContact O-CG1 3.3Å; D126-I130 WeakPolarHBondContact O-CG1 3.16Å; D126-I130 PolarHBondContact O-N 2.81Å
127L81.2Confident69.5Low0 Ų035.2 Ų35.20%019%0.185CC..Hα-helixtrans-62.8-42.1178.8-176.767.2000110.3M97 Y118 H121 S124 L129 I130 E131 L137M97-L127 HydrophobicContact CE-CB 3.79Å; M97-L127 HydrophobicContact CE-CD1 3.93Å; M97-L127 HydrophobicContact CE-CG 4.48Å; Y118-L127 HydrophobicContact CE2-CD1 4.13Å; H121-L127 HydrophobicContact CB-CD1 4.38Å; H121-L127 HydrophobicContact CB-CD2 4.47Å; S124-L127 PolarHBondContact O-N 3.48Å; S124-L127 WeakPolarHBondContact OG-CB 3.41Å; S124-L127 PolarHBondContact OG-N 3.39Å; L127-L129 VanDerWaalsContact C-N 3.31Å; L127-L129 PolarHBondContact O-N 2.92Å; L127-I130 PolarHBondContact O-N 3.1Å; L127-E131 HydrophobicContact CD1-CB 3.88Å; L127-E131 HydrophobicContact CD1-CG 4.1Å; L127-E131 HydrophobicContact CG-CB 4.46Å; L127-E131 CarbonylContact O-C 3.56Å; L127-E131 VanDerWaalsContact O-C 3.27Å; L127-E131 WeakPolarHBondContact O-CA 3.39Å; L127-E131 WeakPolarHBondContact O-CB 3.46Å; L127-E131 PolarHBondContact O-N 2.93Å; L127-L137 HydrophobicContact CD2-CD1 3.9Å
128L83.8Confident69.7Low3 Ų330.3 Ų30.32%0.01615%0.151CC..Hα-helixtrans-66.7-33.8176.9-175.458.1000112.5F123 S124 A125 D126 S134 I138 L177 L180 L181 R272F123-L128 HydrophobicContact CZ-CD2 4.42Å; S124-L128 PolarHBondContact O-N 3.31Å; A125-L128 PolarHBondContact O-N 3.17Å; D126-L128 VanDerWaalsContact C-N 3.32Å; D126-L128 PolarHBondContact O-N 3.36Å; L128-S134 WeakPolarHBondContact CD1-OG 3.39Å; L128-I138 HydrophobicContact CD1-CD1 3.58Å; L128-I138 HydrophobicContact CD2-CD1 4.35Å; L128-L177 HydrophobicContact CD2-CD1 3.91Å; L128-L180 HydrophobicContact CB-CD1 4.19Å; L128-L180 HydrophobicContact CD2-CB 3.56Å; L128-L180 HydrophobicContact CD2-CD1 4.31Å; L128-L180 HydrophobicContact CG-CB 3.87Å; L128-L180 HydrophobicContact CG-CD1 4.2Å; L128-L181 HydrophobicContact CD2-CD2 4.09Å; L128-L181 HydrophobicContact CD2-CG 4.16Å; L128-R272 PolarHBondContact O-NH2 2.82Å
129L88.2Confident70.1Confident0 Ų030.5 Ų30.50%016%0.159CC..Hα-helixtrans-67.6-49.3176.6177.258.6000111.1L102 Y106 A125 D126 L127 L180 R272 Y297 Y316L102-L129 HydrophobicContact CD2-CD2 3.84Å; Y106-L129 HydrophobicContact CD2-CD2 3.71Å; Y106-L129 HydrophobicContact CD2-CG 4.08Å; Y106-L129 HydrophobicContact CE2-CD1 4.31Å; Y106-L129 HydrophobicContact CE2-CD2 4.12Å; Y106-L129 HydrophobicContact CE2-CG 4.14Å; A125-L129 WeakPolarHBondContact O-CB 3.27Å; A125-L129 PolarHBondContact O-N 3.09Å; D126-L129 PolarHBondContact O-N 3.21Å; L127-L129 VanDerWaalsContact C-N 3.31Å; L127-L129 PolarHBondContact O-N 2.92Å; L129-L180 HydrophobicContact CB-CD1 3.92Å; L129-L180 HydrophobicContact CB-CD2 4.31Å; L129-L180 HydrophobicContact CD1-CD2 3.77Å; L129-R272 PolarHBondContact O-NH1 3.29Å; L129-Y297 HydrophobicContact CD1-CD1 4.09Å; L129-Y297 HydrophobicContact CD1-CE1 4.1Å; L129-Y297 WeakPolarHBondContact O-CB 3.35Å; L129-Y297 WeakPolarHBondContact O-CD1 3.46Å; L129-Y316 HydrophobicContact CD1-CD2 4.05Å
130I86.8Confident69.9Low0 Ų031.9 Ų31.90%017%0.167CC..Hα-helixtrans-81.1-41.6-174.7-58.2-53.2000111.7V105 Y106 A109 D126 L127 P132 N296 Y297 A298V105-I130 HydrophobicContact CG1-CD1 4.43Å; V105-I130 HydrophobicContact CG1-CG1 3.84Å; Y106-I130 HydrophobicContact CD2-CD1 3.5Å; Y106-I130 VanDerWaalsContact CD2-CD1 3.5Å; Y106-I130 HydrophobicContact CE2-CD1 4.09Å; Y106-I130 HydrophobicContact CG-CD1 4.21Å; A109-I130 HydrophobicContact CB-CD1 3.75Å; A109-I130 HydrophobicContact CB-CG1 4.16Å; A109-I130 HydrophobicContact CB-CG2 3.59Å; D126-I130 WeakPolarHBondContact O-CB 3.49Å; D126-I130 VanDerWaalsContact O-CG1 3.3Å; D126-I130 WeakPolarHBondContact O-CG1 3.16Å; D126-I130 PolarHBondContact O-N 2.81Å; L127-I130 PolarHBondContact O-N 3.1Å; I130-P132 VanDerWaalsContact C-CD 3.49Å; I130-P132 VanDerWaalsContact O-CD 3.32Å; I130-P132 WeakPolarHBondContact O-CD 3.36Å; I130-N296 HydrophobicContact CG2-CB 3.62Å; I130-N296 CarbonylContact O-C 3.56Å; I130-N296 WeakPolarHBondContact O-CA 3.25Å; I130-N296 VanDerWaalsContact O-CB 3.29Å; I130-N296 WeakPolarHBondContact O-CB 3.27Å; I130-Y297 PolarHBondContact O-N 3.26Å; I130-A298 HydrophobicContact CD1-CB 3.78Å
131E79Confident69.6Low9 Ų925 Ų254%0.04214%0.14CC..  trans-124.374.4-175.3-64.9-173.7-154.100112.6Y116 Y118 L127 C133 S134Y116-E131 WeakPolarHBondContact CE2-OE1 3.38Å; Y116-E131 VanDerWaalsContact CZ-OE1 3.31Å; Y116-E131 WeakPolarHBondContact OH-CG 3.4Å; Y116-E131 PolarHBondContact OH-OE1 2.92Å; Y118-E131 WeakPolarHBondContact CD2-OE1 3.29Å; Y118-E131 WeakPolarHBondContact CD2-OE2 3.43Å; Y118-E131 WeakPolarHBondContact CE2-OE2 3.49Å; L127-E131 HydrophobicContact CD1-CB 3.88Å; L127-E131 HydrophobicContact CD1-CG 4.1Å; L127-E131 HydrophobicContact CG-CB 4.46Å; L127-E131 CarbonylContact O-C 3.56Å; L127-E131 VanDerWaalsContact O-C 3.27Å; L127-E131 WeakPolarHBondContact O-CA 3.39Å; L127-E131 WeakPolarHBondContact O-CB 3.46Å; L127-E131 PolarHBondContact O-N 2.93Å; E131-C133 PolarHBondContact O-N 3.09Å; E131-C133 VanDerWaalsContact O-N 3.12Å; E131-S134 VanDerWaalsContact O-CB 3.29Å; E131-S134 WeakPolarHBondContact O-CB 3.32Å; E131-S134 PolarHBondContact O-N 3.45Å; E131-S134 PolarHBondContact O-OG 2.62Å
132P66.9Low69.1Low4 Ų425.1 Ų25.13%0.02614%0.141CC..G310 helixtrans-68.4-12.9-17826.3-34.5000114.1I130 S134 V135 L276 I279I130-P132 VanDerWaalsContact C-CD 3.49Å; I130-P132 VanDerWaalsContact O-CD 3.32Å; I130-P132 WeakPolarHBondContact O-CD 3.36Å; P132-S134 PolarHBondContact O-N 3.15Å; P132-S134 VanDerWaalsContact O-N 3.11Å; P132-V135 WeakPolarHBondContact O-CG2 3.16Å; P132-V135 PolarHBondContact O-N 2.91Å; P132-L276 HydrophobicContact CB-CD1 3.95Å; P132-L276 HydrophobicContact CB-CD2 3.28Å; P132-L276 HydrophobicContact CB-CG 4.2Å; P132-L276 HydrophobicContact CG-CD2 3.15Å; P132-L276 HydrophobicContact CG-CG 4.41Å; P132-I279 HydrophobicContact CG-CD1 3.74Å
133C62.3Low68.7Low12 Ų1226.5 Ų26.58%0.08114%0.144CC..G310 helixtrans-65.8-3.8168.9-74.30000113.8E131 V135 E136 I279 R283E131-C133 PolarHBondContact O-N 3.09Å; E131-C133 VanDerWaalsContact O-N 3.12Å; C133-V135 PolarHBondContact O-N 2.81Å; C133-E136 PolarHBondContact O-N 3.33Å; C133-I279 WeakPolarHBondContact SG-CG2 3.41Å; C133-R283 VanDerWaalsContact SG-CD 3.53Å
134S57.2Low68Low4 Ų431 Ų313%0.02817%0.168CC..G310 helixtrans-54.12.3159.153.80000113.6L128 E131 P132 E136 L137 I138L128-S134 WeakPolarHBondContact CD1-OG 3.39Å; E131-S134 VanDerWaalsContact O-CB 3.29Å; E131-S134 WeakPolarHBondContact O-CB 3.32Å; E131-S134 PolarHBondContact O-N 3.45Å; E131-S134 PolarHBondContact O-OG 2.62Å; P132-S134 PolarHBondContact O-N 3.15Å; P132-S134 VanDerWaalsContact O-N 3.11Å; S134-E136 PolarHBondContact O-N 3.42Å; S134-L137 CarbonylContact O-C 3.51Å; S134-L137 VanDerWaalsContact O-CA 3.28Å; S134-L137 WeakPolarHBondContact O-CA 3.14Å; S134-L137 VanDerWaalsContact O-CB 3.28Å; S134-L137 WeakPolarHBondContact O-CB 3.17Å; S134-L137 PolarHBondContact O-N 3.19Å; S134-I138 WeakPolarHBondContact O-CG1 3.25Å; S134-I138 PolarHBondContact O-N 3.29Å
135V52.2Low66.9Low50 Ų5033 Ų3330%0.30318%0.178SC..Hα-helixtrans-46.3-41.1163.7-163.40000112.6P132 C133 I138 S139 P185P132-V135 WeakPolarHBondContact O-CG2 3.16Å; P132-V135 PolarHBondContact O-N 2.91Å; C133-V135 PolarHBondContact O-N 2.81Å; V135-I138 PolarHBondContact O-N 3.04Å; V135-S139 WeakPolarHBondContact O-CB 3.31Å; V135-S139 PolarHBondContact O-N 2.84Å; V135-P185 HydrophobicContact CB-CG 4.13Å; V135-P185 HydrophobicContact CG1-CB 4.31Å; V135-P185 HydrophobicContact CG1-CG 3.63Å; V135-P185 HydrophobicContact CG2-CB 4.24Å; V135-P185 HydrophobicContact CG2-CG 3.48Å; V135-P185 VanDerWaalsContact CG2-CG 3.48Å
136E60Low65.5Low92 Ų9241.3 Ų41.343%0.4321%0.211SC..Hα-helixtrans-65.4-40.7173.6-77.2172-154.700110.9C133 S134 S139 E140 R283 K287C133-E136 PolarHBondContact O-N 3.33Å; S134-E136 PolarHBondContact O-N 3.42Å; E136-S139 PolarHBondContact O-N 3.27Å; E136-E140 WeakPolarHBondContact O-CA 3.45Å; E136-E140 WeakPolarHBondContact O-CB 3.49Å; E136-E140 PolarHBondContact O-N 2.96Å; E136-R283 VanDerWaalsContact CD-NH1 3.27Å; E136-R283 IonicContact OE1-CZ 3.54Å; E136-R283 IonicContact OE1-NH1 3.62Å; E136-R283 PolarHBondContact OE1-NH1 2.79Å; E136-R283 IonicContact OE1-NH2 3.57Å; E136-R283 PolarHBondContact OE1-NH2 3.36Å; E136-R283 VanDerWaalsContact OE1-NH2 3.16Å; E136-R283 IonicContact OE2-CZ 2.73Å; E136-R283 IonicContact OE2-NH1 2.99Å; E136-R283 IonicContact OE2-NH2 3.72Å; E136-R283 PolarHBondContact OE2-NH2 2.96Å; E136-K287 IonicContact OE1-NZ 2.7Å; E136-K287 PolarHBondContact OE1-NZ 3.45Å; E136-K287 IonicContact OE2-NZ 3.71Å
137L58.8Low63.8Low41 Ų4148.4 Ų48.422%0.21525%0.249CC..Hα-helixtrans-66.6-39.5174.3-68.1166.9000112.6L127 S134 A141L127-L137 HydrophobicContact CD2-CD1 3.9Å; S134-L137 CarbonylContact O-C 3.51Å; S134-L137 VanDerWaalsContact O-CA 3.28Å; S134-L137 WeakPolarHBondContact O-CA 3.14Å; S134-L137 VanDerWaalsContact O-CB 3.28Å; S134-L137 WeakPolarHBondContact O-CB 3.17Å; S134-L137 PolarHBondContact O-N 3.19Å; L137-A141 WeakPolarHBondContact O-CB 3.29Å; L137-A141 PolarHBondContact O-N 2.88Å
138I60.6Low62.2Low6 Ų650.6 Ų50.63%0.03126%0.264CS..Hα-helixtrans-67.4-44.7175.5-69.1167000108.4F123 L128 S134 V135 L142 L181 L189F123-I138 HydrophobicContact CD2-CG1 4.4Å; F123-I138 HydrophobicContact CE2-CD1 4.13Å; F123-I138 HydrophobicContact CE2-CG1 3.5Å; F123-I138 VanDerWaalsContact CE2-CG1 3.5Å; F123-I138 HydrophobicContact CZ-CG1 4.1Å; L128-I138 HydrophobicContact CD1-CD1 3.58Å; L128-I138 HydrophobicContact CD2-CD1 4.35Å; S134-I138 WeakPolarHBondContact O-CG1 3.25Å; S134-I138 PolarHBondContact O-N 3.29Å; V135-I138 PolarHBondContact O-N 3.04Å; I138-L142 HydrophobicContact CG2-CD1 3.58Å; I138-L142 HydrophobicContact CG2-CG 4.1Å; I138-L142 WeakPolarHBondContact O-CA 3.39Å; I138-L142 WeakPolarHBondContact O-CB 3.42Å; I138-L142 WeakPolarHBondContact O-CD1 3.36Å; I138-L142 WeakPolarHBondContact O-CG 3.47Å; I138-L142 PolarHBondContact O-N 2.99Å; I138-L181 HydrophobicContact CD1-CD2 3.94Å; I138-L189 HydrophobicContact CG2-CD1 4.17Å
139S61.7Low60.4Low54 Ų5460 Ų6038%0.37831%0.308SS..Hα-helixtrans-68.4-38.3178-171.90000111.5V135 E136 N143V135-S139 WeakPolarHBondContact O-CB 3.31Å; V135-S139 PolarHBondContact O-N 2.84Å; E136-S139 PolarHBondContact O-N 3.27Å; S139-N143 WeakPolarHBondContact O-CB 2.98Å; S139-N143 PolarHBondContact O-N 3.08Å; S139-N143 PolarHBondContact O-ND2 2.7Å; S139-N143 PolarHBondContact O-OD1 2.8Å
140E61.1Low58.3Low98 Ų9865.6 Ų65.646%0.45834%0.338SS..Hα-helixtrans-65.8-50.8175-176.1178.7-174.700109.7E136 L142 N143 I144E136-E140 WeakPolarHBondContact O-CA 3.45Å; E136-E140 WeakPolarHBondContact O-CB 3.49Å; E136-E140 PolarHBondContact O-N 2.96Å; E140-L142 VanDerWaalsContact C-N 3.34Å; E140-L142 PolarHBondContact O-N 3.11Å; E140-N143 PolarHBondContact O-N 2.5Å; E140-I144 HydrophobicContact CG-CD1 3.94Å; E140-I144 WeakPolarHBondContact O-CB 3.47Å; E140-I144 WeakPolarHBondContact O-CD1 3.21Å; E140-I144 WeakPolarHBondContact O-CG1 3.37Å; E140-I144 PolarHBondContact O-N 3.49Å
141A57.4Low56.5Low18 Ų1869.1 Ų69.115%0.14936%0.362CS..Hα-helixtrans-60.7-40.9175.100000112L137 N145 W155L137-A141 WeakPolarHBondContact O-CB 3.29Å; L137-A141 PolarHBondContact O-N 2.88Å; A141-N145 WeakPolarHBondContact O-CB 3.29Å; A141-N145 PolarHBondContact O-N 3.44Å; A141-N145 VanDerWaalsContact O-N 3.12Å; A141-N145 PolarHBondContact O-ND2 2.91Å; A141-W155 HydrophobicContact CB-CD2 4.17Å; A141-W155 HydrophobicContact CB-CE3 4.07Å; A141-W155 HydrophobicContact CB-CH2 3.73Å; A141-W155 HydrophobicContact CB-CZ2 3.86Å; A141-W155 HydrophobicContact CB-CZ3 3.82Å
142L56.8Low55.3Low16 Ų1672.2 Ų72.28%0.08438%0.379CS..Hα-helixtrans-66.7-47.9175-76.7171.9000111.3I138 E140 I144 N145 Y146 L189I138-L142 HydrophobicContact CG2-CD1 3.58Å; I138-L142 HydrophobicContact CG2-CG 4.1Å; I138-L142 WeakPolarHBondContact O-CA 3.39Å; I138-L142 WeakPolarHBondContact O-CB 3.42Å; I138-L142 WeakPolarHBondContact O-CD1 3.36Å; I138-L142 WeakPolarHBondContact O-CG 3.47Å; I138-L142 PolarHBondContact O-N 2.99Å; E140-L142 VanDerWaalsContact C-N 3.34Å; E140-L142 PolarHBondContact O-N 3.11Å; L142-I144 PolarHBondContact O-N 2.91Å; L142-N145 CarbonylContact O-C 3.46Å; L142-N145 PolarHBondContact O-N 3.18Å; L142-Y146 WeakPolarHBondContact O-CA 3.16Å; L142-Y146 WeakPolarHBondContact O-CB 3.48Å; L142-Y146 PolarHBondContact O-N 3.44Å; L142-L189 HydrophobicContact CD1-CD1 3.81Å; L142-L189 HydrophobicContact CD1-CG 3.76Å; L142-L189 HydrophobicContact CD2-CD1 3.82Å; L142-L189 HydrophobicContact CD2-CD2 3.94Å; L142-L189 HydrophobicContact CD2-CG 3.78Å; L142-L189 HydrophobicContact CG-CD1 4.13Å; L142-L189 HydrophobicContact CG-CG 4.31Å
143N58Low54.9Low117 Ų11773 Ų7363%0.62638%0.383SS*.Hα-helixtrans-62.5-32.3179.9-73.2-17.5000112S139 E140S139-N143 WeakPolarHBondContact O-CB 2.98Å; S139-N143 PolarHBondContact O-N 3.08Å; S139-N143 PolarHBondContact O-ND2 2.7Å; S139-N143 PolarHBondContact O-OD1 2.8Å; E140-N143 PolarHBondContact O-N 2.5Å
144I56.2Low55Low120 Ų12073.5 Ų73.562%0.61539%0.388SS*.Hα-helixtrans-70.5-35.8174.7-68.5164.6000111.5E140 L142E140-I144 HydrophobicContact CG-CD1 3.94Å; E140-I144 WeakPolarHBondContact O-CB 3.47Å; E140-I144 WeakPolarHBondContact O-CD1 3.21Å; E140-I144 WeakPolarHBondContact O-CG1 3.37Å; E140-I144 PolarHBondContact O-N 3.49Å; L142-I144 PolarHBondContact O-N 2.91Å
145N53.5Low55.3Low44 Ų4475 Ų7524%0.23539%0.393CS..Hα-helixtrans-106.8-13.5-170-64.3-61.8000115.2A141 L142 D147 S148 W155A141-N145 WeakPolarHBondContact O-CB 3.29Å; A141-N145 PolarHBondContact O-N 3.44Å; A141-N145 VanDerWaalsContact O-N 3.12Å; A141-N145 PolarHBondContact O-ND2 2.91Å; L142-N145 CarbonylContact O-C 3.46Å; L142-N145 PolarHBondContact O-N 3.18Å; N145-D147 VanDerWaalsContact C-N 3.3Å; N145-D147 PolarHBondContact O-N 3.35Å; N145-S148 PolarHBondContact O-N 3.41Å; N145-S148 PolarHBondContact O-OG 3.39Å; N145-W155 PolarHBondContact ND2-NE1 3.01Å
146Y50.4Low55.9Low176 Ų17672.8 Ų72.869%0.6938%0.38SS*.THydrogen-bonded Turntrans-72.4-22.4-173.2-165.9-97.8000113.1L142 S148L142-Y146 WeakPolarHBondContact O-CA 3.16Å; L142-Y146 WeakPolarHBondContact O-CB 3.48Å; L142-Y146 PolarHBondContact O-N 3.44Å; Y146-S148 VanDerWaalsContact C-N 3.33Å
147D47.3Very low56.2Low152 Ų15268.8 Ų68.881%0.81336%0.361SS*.THydrogen-bonded Turntrans-79.6-10.1177.6-82.6-19.6000113.6N145 Q149N145-D147 VanDerWaalsContact C-N 3.3Å; N145-D147 PolarHBondContact O-N 3.35Å; D147-Q149 PolarHBondContact O-N 3.37Å
148S48.6Very low56.7Low46 Ų4671.3 Ų71.332%0.32237%0.374SS..  trans-85114.9174.271.10000110.6N145 Y146 N150 D152N145-S148 PolarHBondContact O-N 3.41Å; N145-S148 PolarHBondContact O-OG 3.39Å; Y146-S148 VanDerWaalsContact C-N 3.33Å; S148-N150 PolarHBondContact O-N 2.81Å; S148-N150 PolarHBondContact OG-O 2.91Å; S148-D152 WeakPolarHBondContact CB-OD2 3.3Å; S148-D152 PolarHBondContact OG-OD2 3.47Å
149Q45.8Very low57Low200 Ų20072 Ų7294%0.93538%0.38SS*.SBendtrans-61.9-7.8175.9-69.9-173.8-5.800113.7D147D147-Q149 PolarHBondContact O-N 3.37Å
150N44.2Very low57.4Low119 Ų11969.5 Ų69.564%0.63636%0.362SS*.SBendtrans-111.1111.5174.7-73-22.8000108.9S148 D152S148-N150 PolarHBondContact O-N 2.81Å; S148-N150 PolarHBondContact OG-O 2.91Å; N150-D152 VanDerWaalsContact O-CG 3.3Å; N150-D152 PolarHBondContact O-N 3.03Å
151S48.4Very low57.8Low73 Ų7367.9 Ų67.951%0.5136%0.356SS..  trans31.321.7138.561.20000122L153S151-L153 PolarHBondContact O-N 3.21Å
152D54.3Low58.1Low74 Ų7469.1 Ų69.140%0.39636%0.357SS..  trans-80.641.3-176.9-66.6-32.4000111.9S148 N150 A154 W155S148-D152 WeakPolarHBondContact CB-OD2 3.3Å; S148-D152 PolarHBondContact OG-OD2 3.47Å; N150-D152 VanDerWaalsContact O-CG 3.3Å; N150-D152 PolarHBondContact O-N 3.03Å; D152-A154 HydrophobicContact CB-CB 4.5Å; D152-A154 PolarHBondContact O-N 2.94Å; D152-W155 PolarHBondContact O-NE1 3.44Å
153L58.1Low58.3Low21 Ų2170.4 Ų70.411%0.1137%0.373CS..THydrogen-bonded Turntrans-72.49.8154.2-64-169.8000111.9S151 W155 L156 F157 W229S151-L153 PolarHBondContact O-N 3.21Å; L153-W155 HydrophobicContact CD2-CZ2 4.39Å; L153-W155 PolarHBondContact O-N 3.21Å; L153-L156 HydrophobicContact CB-CB 4.05Å; L153-L156 HydrophobicContact CB-CD2 4.39Å; L153-L156 HydrophobicContact CD1-CD2 3.95Å; L153-L156 HydrophobicContact CD2-CB 4.46Å; L153-L156 HydrophobicContact CD2-CD2 4.16Å; L153-L156 HydrophobicContact CG-CD2 4.43Å; L153-L156 CarbonylContact O-C 2.95Å; L153-L156 VanDerWaalsContact O-CA 3.31Å; L153-L156 WeakPolarHBondContact O-CA 3.14Å; L153-L156 WeakPolarHBondContact O-CB 3.41Å; L153-L156 PolarHBondContact O-N 3.05Å; L153-F157 HydrophobicContact CB-CD2 4.26Å; L153-F157 HydrophobicContact CB-CE2 4.01Å; L153-F157 WeakPolarHBondContact O-CD2 3.41Å; L153-F157 PolarHBondContact O-N 3.38Å; L153-W229 HydrophobicContact CD1-CB 3.35Å; L153-W229 HydrophobicContact CD1-CD2 3.25Å; L153-W229 HydrophobicContact CD1-CE3 2.94Å; L153-W229 HydrophobicContact CD1-CG 3.45Å; L153-W229 VanDerWaalsContact CD1-CG 3.45Å; L153-W229 HydrophobicContact CD1-CZ3 3.73Å; L153-W229 HydrophobicContact CG-CB 4.41Å; L153-W229 HydrophobicContact CG-CE3 4.42Å
154A63.9Low58.3Low22 Ų2272.4 Ų72.418%0.18238%0.379CS..Hα-helixtrans-23.2-63155.600000113.8D152 L156 F157 D158 W225D152-A154 HydrophobicContact CB-CB 4.5Å; D152-A154 PolarHBondContact O-N 2.94Å; A154-L156 VanDerWaalsContact C-N 3.26Å; A154-L156 PolarHBondContact O-N 3.35Å; A154-F157 CarbonylContact O-C 3.53Å; A154-F157 WeakPolarHBondContact O-CB 3.43Å; A154-F157 PolarHBondContact O-N 3.2Å; A154-F157 VanDerWaalsContact O-N 3.1Å; A154-D158 PolarHBondContact O-N 3.08Å; A154-W225 HydrophobicContact CB-CE3 4.11Å; A154-W225 HydrophobicContact CB-CH2 4.31Å; A154-W225 HydrophobicContact CB-CZ3 3.38Å
155W63.1Low58.5Low36 Ų3674 Ų7414%0.13639%0.389CS..Hα-helixtrans-60.7-35.5-179.967.9-87.4000112.9F123 A141 N145 D152 L153 S159F123-W155 HydrophobicContact CB-CE3 4.38Å; F123-W155 HydrophobicContact CB-CZ3 4.28Å; F123-W155 AromaticContact CD1-CE3 3.82Å; F123-W155 HydrophobicContact CD1-CE3 3.82Å; F123-W155 HydrophobicContact CD1-CH2 4.42Å; F123-W155 AromaticContact CD1-CZ3 3.33Å; F123-W155 HydrophobicContact CD1-CZ3 3.33Å; F123-W155 HydrophobicContact CD2-CZ3 4.08Å; F123-W155 HydrophobicContact CE1-CE3 4.37Å; F123-W155 HydrophobicContact CE1-CH2 4.28Å; F123-W155 AromaticContact CE1-CZ3 3.56Å; F123-W155 HydrophobicContact CE1-CZ3 3.56Å; F123-W155 HydrophobicContact CE2-CZ3 4.25Å; F123-W155 HydrophobicContact CG-CE3 4.15Å; F123-W155 AromaticContact CG-CZ3 3.62Å; F123-W155 HydrophobicContact CG-CZ3 3.62Å; F123-W155 HydrophobicContact CZ-CH2 4.43Å; F123-W155 HydrophobicContact CZ-CZ3 4.01Å; A141-W155 HydrophobicContact CB-CD2 4.17Å; A141-W155 HydrophobicContact CB-CE3 4.07Å; A141-W155 HydrophobicContact CB-CH2 3.73Å; A141-W155 HydrophobicContact CB-CZ2 3.86Å; A141-W155 HydrophobicContact CB-CZ3 3.82Å; N145-W155 PolarHBondContact ND2-NE1 3.01Å; D152-W155 PolarHBondContact O-NE1 3.44Å; L153-W155 HydrophobicContact CD2-CZ2 4.39Å; L153-W155 PolarHBondContact O-N 3.21Å; W155-S159 WeakPolarHBondContact O-CB 3.35Å; W155-S159 PolarHBondContact O-N 3.19Å; W155-S159 PolarHBondContact O-OG 3.42Å
156L65.5Low59.3Low4 Ų473.9 Ų73.92%0.02139%0.388CS..Hα-helixtrans-71.1-37.1179.4-168.261.1000110.7F123 L153 A154 S159 C160 L177 W229F123-L156 HydrophobicContact CD1-CD1 4.22Å; F123-L156 HydrophobicContact CE1-CD1 3.44Å; F123-L156 VanDerWaalsContact CE1-CD1 3.44Å; F123-L156 HydrophobicContact CZ-CD1 4.18Å; L153-L156 HydrophobicContact CB-CB 4.05Å; L153-L156 HydrophobicContact CB-CD2 4.39Å; L153-L156 HydrophobicContact CD1-CD2 3.95Å; L153-L156 HydrophobicContact CD2-CB 4.46Å; L153-L156 HydrophobicContact CD2-CD2 4.16Å; L153-L156 HydrophobicContact CG-CD2 4.43Å; L153-L156 CarbonylContact O-C 2.95Å; L153-L156 VanDerWaalsContact O-CA 3.31Å; L153-L156 WeakPolarHBondContact O-CA 3.14Å; L153-L156 WeakPolarHBondContact O-CB 3.41Å; L153-L156 PolarHBondContact O-N 3.05Å; A154-L156 VanDerWaalsContact C-N 3.26Å; A154-L156 PolarHBondContact O-N 3.35Å; L156-S159 WeakPolarHBondContact O-CB 3.42Å; L156-S159 PolarHBondContact O-N 2.9Å; L156-C160 PolarHBondContact O-N 3.07Å; L156-C160 PolarHBondContact O-SG 2.77Å; L156-C160 VanDerWaalsContact O-SG 3.33Å; L156-L177 HydrophobicContact CD1-CD1 3.9Å; L156-L177 HydrophobicContact CD1-CD2 3.31Å; L156-L177 HydrophobicContact CD1-CG 4.16Å; L156-L177 HydrophobicContact CD2-CD2 3.82Å; L156-L177 HydrophobicContact CG-CD2 3.44Å; L156-L177 VanDerWaalsContact CG-CD2 3.44Å; L156-W229 HydrophobicContact CD2-CE3 3.99Å; L156-W229 HydrophobicContact CD2-CH2 3.88Å; L156-W229 HydrophobicContact CD2-CZ3 3.23Å
157F66.6Low60.2Low8 Ų868.7 Ų68.74%0.03537%0.372CS..Hα-helixtrans-69.5-44173.5-68.2-52.1000111.9L153 A154 S159 C160 M161 I174 I224 L232L153-F157 HydrophobicContact CB-CD2 4.26Å; L153-F157 HydrophobicContact CB-CE2 4.01Å; L153-F157 WeakPolarHBondContact O-CD2 3.41Å; L153-F157 PolarHBondContact O-N 3.38Å; A154-F157 CarbonylContact O-C 3.53Å; A154-F157 WeakPolarHBondContact O-CB 3.43Å; A154-F157 PolarHBondContact O-N 3.2Å; A154-F157 VanDerWaalsContact O-N 3.1Å; F157-S159 PolarHBondContact O-N 3.22Å; F157-C160 CarbonylContact O-C 3.38Å; F157-C160 WeakPolarHBondContact O-CA 3.33Å; F157-C160 PolarHBondContact O-N 3.23Å; F157-M161 VanDerWaalsContact O-CG 3.3Å; F157-M161 WeakPolarHBondContact O-CG 3.43Å; F157-M161 PolarHBondContact O-N 3.28Å; F157-I174 HydrophobicContact CE1-CD1 4.4Å; F157-I224 HydrophobicContact CB-CD1 3.96Å; F157-I224 HydrophobicContact CB-CG1 4.41Å; F157-I224 HydrophobicContact CB-CG2 4.31Å; F157-I224 HydrophobicContact CD1-CD1 3.15Å; F157-I224 HydrophobicContact CD1-CG1 3.5Å; F157-I224 VanDerWaalsContact CD1-CG1 3.5Å; F157-I224 HydrophobicContact CD2-CG1 4.42Å; F157-I224 HydrophobicContact CE1-CD1 3.72Å; F157-I224 HydrophobicContact CE1-CG1 3.68Å; F157-I224 HydrophobicContact CG-CD1 3.73Å; F157-I224 HydrophobicContact CG-CG1 3.88Å; F157-I224 HydrophobicContact CG-CG2 4.44Å; F157-I224 HydrophobicContact CZ-CG1 4.23Å; F157-L232 HydrophobicContact CE1-CD1 3.29Å; F157-L232 HydrophobicContact CZ-CD1 3.28Å
158D68.5Low61.3Low93 Ų9368.9 Ų68.950%0.49736%0.361SS..Hα-helixtrans-52.8-42.6171.5-70.6-33.3000110.5A154 C160 M161 W225A154-D158 PolarHBondContact O-N 3.08Å; D158-C160 PolarHBondContact O-N 3.48Å; D158-M161 PolarHBondContact O-N 3.16Å; D158-W225 WeakPolarHBondContact OD1-CH2 3.37Å; D158-W225 WeakPolarHBondContact OD1-CZ2 3.28Å
159S67.6Low62.4Low22 Ų2267 Ų6715%0.15435%0.348CS..THydrogen-bonded Turntrans-69.7-11.8178.3-57.60000114.6F123 W155 L156 F157F123-S159 WeakPolarHBondContact CD1-OG 3.15Å; F123-S159 VanDerWaalsContact O-CB 3.25Å; F123-S159 WeakPolarHBondContact O-CB 3.45Å; F123-S159 PolarHBondContact O-OG 3.38Å; W155-S159 WeakPolarHBondContact O-CB 3.35Å; W155-S159 PolarHBondContact O-N 3.19Å; W155-S159 PolarHBondContact O-OG 3.42Å; L156-S159 WeakPolarHBondContact O-CB 3.42Å; L156-S159 PolarHBondContact O-N 2.9Å; F157-S159 PolarHBondContact O-N 3.22Å
160C71.3Confident64Low1 Ų157.6 Ų57.61%0.00730%0.304CS..THydrogen-bonded Turntrans-106.6-11.4176-70.30000113.2L156 F157 D158 T170 N173 I174L156-C160 PolarHBondContact O-N 3.07Å; L156-C160 PolarHBondContact O-SG 2.77Å; L156-C160 VanDerWaalsContact O-SG 3.33Å; F157-C160 CarbonylContact O-C 3.38Å; F157-C160 WeakPolarHBondContact O-CA 3.33Å; F157-C160 PolarHBondContact O-N 3.23Å; D158-C160 PolarHBondContact O-N 3.48Å; C160-T170 HydrophobicContact CB-CG2 4.23Å; C160-N173 HydrophobicContact CB-CB 3.79Å; C160-N173 PolarHBondContact O-ND2 2.97Å; C160-I174 HydrophobicContact CB-CG1 4.25Å
161M67.6Low65.7Low64 Ų6451.9 Ų51.932%0.31527%0.274SS..  trans-82136.4-174-79.8-63.2-178.400113.3F157 D158 T170 I224F157-M161 VanDerWaalsContact O-CG 3.3Å; F157-M161 WeakPolarHBondContact O-CG 3.43Å; F157-M161 PolarHBondContact O-N 3.28Å; D158-M161 PolarHBondContact O-N 3.16Å; M161-T170 HydrophobicContact CE-CG2 3.87Å; M161-T170 HydrophobicContact CG-CG2 4.4Å; M161-T170 HydrophobicContact SD-CG2 3.59Å; M161-T170 VanDerWaalsContact SD-CG2 3.59Å; M161-T170 PolarHBondContact SD-OG1 2.93Å; M161-T170 VanDerWaalsContact SD-OG1 3.35Å; M161-I224 HydrophobicContact CE-CB 3.62Å; M161-I224 HydrophobicContact CE-CD1 3.37Å; M161-I224 HydrophobicContact CE-CG1 4.1Å; M161-I224 HydrophobicContact CE-CG2 3.28Å
162Y64.6Low67.4Low44 Ų4449 Ų4917%0.17326%0.255CS..SBendtrans-110.226.6170.5-76.7-80.2000112.4H100 N166 C169 N173 P321 L323H100-Y162 HydrophobicContact CB-CD1 4.46Å; H100-Y162 HydrophobicContact CB-CE1 3.53Å; H100-Y162 WeakPolarHBondContact O-CE1 3.28Å; H100-Y162 VanDerWaalsContact O-CZ 3.25Å; H100-Y162 PolarHBondContact O-OH 2.73Å; Y162-N166 PolarHBondContact O-ND2 3.15Å; Y162-C169 HydrophobicContact CD2-CB 3.72Å; Y162-C169 HydrophobicContact CE2-CB 4.32Å; Y162-C169 HydrophobicContact CG-CB 4.42Å; Y162-N173 WeakPolarHBondContact CE2-ND2 3.1Å; Y162-P321 HydrophobicContact CE2-CB 4.44Å; Y162-P321 HydrophobicContact CE2-CG 4.2Å; Y162-L323 HydrophobicContact CD1-CD2 3.94Å; Y162-L323 HydrophobicContact CE1-CD2 3.77Å
163G61.8Low68.9Low42 Ų4245.7 Ų45.743%0.43324%0.238SC..  trans97.9158.8-168.300000112.7D165 N166G163-D165 VanDerWaalsContact C-N 3.28Å; G163-D165 PolarHBondContact O-N 2.85Å; G163-N166 PolarHBondContact O-N 3.28Å
164E57.5Low70.2Confident159 Ų15944.8 Ų44.874%0.74323%0.233SC*.THydrogen-bonded Turntrans-58.3-33.3-167-63.6-177.7160.100113.9
165D61.1Low71.4Confident154 Ų15444.4 Ų44.482%0.82423%0.228SC*.THydrogen-bonded Turntrans-88.5-3.1-174-60.9-41.7000114.8G163 I167G163-D165 VanDerWaalsContact C-N 3.28Å; G163-D165 PolarHBondContact O-N 2.85Å; D165-I167 PolarHBondContact O-N 3.18Å
166N69.5Low72.7Confident42 Ų4242.7 Ų42.723%0.22522%0.221CC..  trans-100.242.4-170.5-78.1-37.9000113.9Y162 G163 R168 C169 T170Y162-N166 PolarHBondContact O-ND2 3.15Å; G163-N166 PolarHBondContact O-N 3.28Å; N166-R168 VanDerWaalsContact C-N 3.28Å; N166-R168 PolarHBondContact O-N 2.9Å; N166-R168 VanDerWaalsContact O-N 3.11Å; N166-C169 HydrophobicContact CB-CB 4.23Å; N166-C169 WeakPolarHBondContact O-CA 3.41Å; N166-C169 WeakPolarHBondContact O-CB 3.29Å; N166-C169 PolarHBondContact O-N 3.22Å; N166-T170 PolarHBondContact O-N 2.79Å; N166-T170 PolarHBondContact O-OG1 2.88Å
167I68.4Low73.7Confident67 Ų6742.6 Ų42.634%0.34422%0.221SC..Hα-helixtrans-47.5-46.4-175-60.3177.1000112.5D165 C169 T170 A171 F218D165-I167 PolarHBondContact O-N 3.18Å; I167-C169 VanDerWaalsContact C-N 3.31Å; I167-C169 PolarHBondContact O-N 2.9Å; I167-T170 WeakPolarHBondContact O-CB 3.21Å; I167-T170 PolarHBondContact O-N 2.79Å; I167-A171 PolarHBondContact O-N 3.49Å; I167-F218 HydrophobicContact CG2-CB 4.12Å; I167-F218 HydrophobicContact CG2-CD1 4.3Å; I167-F218 HydrophobicContact CG2-CD2 3.27Å; I167-F218 HydrophobicContact CG2-CE2 3.62Å; I167-F218 HydrophobicContact CG2-CG 3.62Å; I167-F218 HydrophobicContact CG2-CZ 4.34Å; I167-F218 WeakPolarHBondContact O-CE2 3.15Å
168R70.2Confident74.8Confident156 Ų15642.3 Ų42.359%0.58922%0.219SC*.Hα-helixtrans-61.3-38.3-179.7-174.3179.2177.2-177.80.4112.8N166 A171 G172N166-R168 VanDerWaalsContact C-N 3.28Å; N166-R168 PolarHBondContact O-N 2.9Å; N166-R168 VanDerWaalsContact O-N 3.11Å; R168-A171 WeakPolarHBondContact O-CB 3.47Å; R168-A171 PolarHBondContact O-N 3.38Å; R168-G172 PolarHBondContact O-N 2.94Å; R168-G172 VanDerWaalsContact O-N 3.14Å
169C73.7Confident76Confident6 Ų638 Ų384%0.04120%0.196CC..Hα-helixtrans-70-41.1177.8-62.60000110.4Y162 N166 I167 A171 G172 N173 P321Y162-C169 HydrophobicContact CD2-CB 3.72Å; Y162-C169 HydrophobicContact CE2-CB 4.32Å; Y162-C169 HydrophobicContact CG-CB 4.42Å; N166-C169 HydrophobicContact CB-CB 4.23Å; N166-C169 WeakPolarHBondContact O-CA 3.41Å; N166-C169 WeakPolarHBondContact O-CB 3.29Å; N166-C169 PolarHBondContact O-N 3.22Å; I167-C169 VanDerWaalsContact C-N 3.31Å; I167-C169 PolarHBondContact O-N 2.9Å; C169-A171 VanDerWaalsContact C-N 3.3Å; C169-A171 PolarHBondContact O-N 3.32Å; C169-G172 PolarHBondContact O-N 3.35Å; C169-N173 PolarHBondContact O-N 3.04Å; C169-P321 HydrophobicContact CB-CB 4.31Å
170T77.5Confident77.1Confident2 Ų237 Ų371%0.01219%0.189CC..Hα-helixtrans-58.7-41.5172.9-49.40000111.2C160 M161 N166 I167 G172 N173 I174 F218 I224C160-T170 HydrophobicContact CB-CG2 4.23Å; M161-T170 HydrophobicContact CE-CG2 3.87Å; M161-T170 HydrophobicContact CG-CG2 4.4Å; M161-T170 HydrophobicContact SD-CG2 3.59Å; M161-T170 VanDerWaalsContact SD-CG2 3.59Å; M161-T170 PolarHBondContact SD-OG1 2.93Å; M161-T170 VanDerWaalsContact SD-OG1 3.35Å; N166-T170 PolarHBondContact O-N 2.79Å; N166-T170 PolarHBondContact O-OG1 2.88Å; I167-T170 WeakPolarHBondContact O-CB 3.21Å; I167-T170 PolarHBondContact O-N 2.79Å; T170-G172 PolarHBondContact O-N 3.4Å; T170-N173 WeakPolarHBondContact O-CB 3.41Å; T170-N173 PolarHBondContact O-N 3.48Å; T170-I174 HydrophobicContact CG2-CD1 4.34Å; T170-I174 WeakPolarHBondContact O-CG1 3.11Å; T170-I174 PolarHBondContact O-N 3Å; T170-F218 HydrophobicContact CG2-CE1 3.93Å; T170-F218 HydrophobicContact CG2-CZ 3.63Å; T170-I224 HydrophobicContact CG2-CD1 3.76Å
171A81.1Confident77.8Confident0 Ų037.1 Ų37.10%019%0.19CC..Hα-helixtrans-58.2-50.8175.500000111.3I167 R168 C169 N173 I174 I175 P214 F218I167-A171 PolarHBondContact O-N 3.49Å; R168-A171 WeakPolarHBondContact O-CB 3.47Å; R168-A171 PolarHBondContact O-N 3.38Å; C169-A171 VanDerWaalsContact C-N 3.3Å; C169-A171 PolarHBondContact O-N 3.32Å; A171-N173 PolarHBondContact O-N 3.29Å; A171-I174 PolarHBondContact O-N 3.15Å; A171-I175 WeakPolarHBondContact O-CG1 3.47Å; A171-I175 PolarHBondContact O-N 2.88Å; A171-P214 HydrophobicContact CB-CB 3.73Å; A171-P214 HydrophobicContact CB-CG 3.8Å; A171-F218 HydrophobicContact CB-CD2 4.14Å; A171-F218 HydrophobicContact CB-CE2 3.3Å; A171-F218 HydrophobicContact CB-CZ 4.11Å; A171-F218 VanDerWaalsContact N-CE2 3.3Å; A171-F218 VanDerWaalsContact N-CZ 3.29Å
172G84.6Confident78.8Confident12 Ų1234.1 Ų34.112%0.12418%0.175CC..Hα-helixtrans-57-41.717800000111.4R168 C169 T170 I175 L176R168-G172 PolarHBondContact O-N 2.94Å; R168-G172 VanDerWaalsContact O-N 3.14Å; C169-G172 PolarHBondContact O-N 3.35Å; T170-G172 PolarHBondContact O-N 3.4Å; G172-I175 PolarHBondContact O-N 3.42Å; G172-L176 WeakPolarHBondContact O-CB 3.46Å; G172-L176 PolarHBondContact O-N 3.2Å
173N84.5Confident80Confident5 Ų532 Ų323%0.02717%0.166CC..Hα-helixtrans-64.6-42.5176.8-94.5-6.3000113.4C160 Y162 C169 T170 A171 I175 L176 L177 P321C160-N173 HydrophobicContact CB-CB 3.79Å; C160-N173 PolarHBondContact O-ND2 2.97Å; Y162-N173 WeakPolarHBondContact CE2-ND2 3.1Å; C169-N173 PolarHBondContact O-N 3.04Å; T170-N173 WeakPolarHBondContact O-CB 3.41Å; T170-N173 PolarHBondContact O-N 3.48Å; A171-N173 PolarHBondContact O-N 3.29Å; N173-I175 VanDerWaalsContact C-N 3.31Å; N173-I175 PolarHBondContact O-N 3.24Å; N173-L176 PolarHBondContact O-N 3.22Å; N173-L177 WeakPolarHBondContact O-CB 3.47Å; N173-L177 PolarHBondContact O-N 3.32Å; N173-P321 HydrophobicContact CB-CG 4.47Å; N173-P321 WeakPolarHBondContact OD1-CG 3.3Å
174I85.1Confident81.1Confident2 Ų230.1 Ų30.11%0.0115%0.147CC..Hα-helixtrans-61.1-44.3176.4-68166.2000110.2F157 C160 T170 A171 L177 F178 L217 F218 I224F157-I174 HydrophobicContact CE1-CD1 4.4Å; C160-I174 HydrophobicContact CB-CG1 4.25Å; T170-I174 HydrophobicContact CG2-CD1 4.34Å; T170-I174 WeakPolarHBondContact O-CG1 3.11Å; T170-I174 PolarHBondContact O-N 3Å; A171-I174 PolarHBondContact O-N 3.15Å; I174-L177 WeakPolarHBondContact O-CB 3.42Å; I174-L177 PolarHBondContact O-N 3.15Å; I174-F178 HydrophobicContact CG2-CD1 4.22Å; I174-F178 HydrophobicContact CG2-CE1 3.75Å; I174-F178 HydrophobicContact CG2-CE2 4.13Å; I174-F178 HydrophobicContact CG2-CZ 3.75Å; I174-F178 VanDerWaalsContact O-CD1 3.29Å; I174-F178 WeakPolarHBondContact O-CD1 3.35Å; I174-F178 WeakPolarHBondContact O-CG 3.42Å; I174-F178 PolarHBondContact O-N 2.97Å; I174-L217 HydrophobicContact CG2-CD1 4.21Å; I174-F218 HydrophobicContact CD1-CE1 3.82Å; I174-F218 HydrophobicContact CD1-CZ 3.66Å; I174-I224 HydrophobicContact CD1-CD1 4.21Å
175I89.7Confident81.8Confident14 Ų1424.6 Ų24.67%0.07213%0.125CC..Hα-helixtrans-61.7-50.9178-66.8166.6000110.5A171 G172 N173 L177 F178 E179 Y213 P214 L217 L319A171-I175 WeakPolarHBondContact O-CG1 3.47Å; A171-I175 PolarHBondContact O-N 2.88Å; G172-I175 PolarHBondContact O-N 3.42Å; N173-I175 VanDerWaalsContact C-N 3.31Å; N173-I175 PolarHBondContact O-N 3.24Å; I175-L177 VanDerWaalsContact C-N 3.3Å; I175-L177 PolarHBondContact O-N 3.03Å; I175-F178 PolarHBondContact O-N 3.23Å; I175-E179 HydrophobicContact CG2-CG 4.45Å; I175-E179 VanDerWaalsContact O-CG 3.24Å; I175-E179 WeakPolarHBondContact O-CG 3.24Å; I175-E179 PolarHBondContact O-N 2.89Å; I175-Y213 HydrophobicContact CD1-CE1 3.78Å; I175-Y213 HydrophobicContact CD1-CE2 3.95Å; I175-Y213 WeakPolarHBondContact CD1-OH 3.5Å; I175-Y213 HydrophobicContact CG1-CE2 4.38Å; I175-Y213 VanDerWaalsContact CG1-OH 3.26Å; I175-Y213 WeakPolarHBondContact CG1-OH 3.23Å; I175-P214 HydrophobicContact CD1-CB 3.27Å; I175-P214 HydrophobicContact CD1-CG 4.34Å; I175-L217 HydrophobicContact CD1-CD1 3.95Å; I175-L217 HydrophobicContact CG1-CD1 3.57Å; I175-L319 HydrophobicContact CG2-CD2 4.43Å
176L90.7Very high82.2Confident0 Ų023 Ų230%012%0.12CC..Hα-helixtrans-56.9-48.5177.917759.9000110.4L102 A125 G172 N173 F178 E179 L180 Y316 L319L102-L176 HydrophobicContact CD1-CD2 3.44Å; L102-L176 VanDerWaalsContact CD1-CD2 3.44Å; A125-L176 HydrophobicContact CB-CD2 4.22Å; A125-L176 HydrophobicContact CB-CG 4.49Å; G172-L176 WeakPolarHBondContact O-CB 3.46Å; G172-L176 PolarHBondContact O-N 3.2Å; N173-L176 PolarHBondContact O-N 3.22Å; L176-F178 PolarHBondContact O-N 3.01Å; L176-E179 PolarHBondContact O-N 2.88Å; L176-L180 HydrophobicContact CD1-CD1 3.98Å; L176-L180 HydrophobicContact CD1-CD2 4.31Å; L176-L180 HydrophobicContact CD1-CG 3.99Å; L176-L180 HydrophobicContact CG-CD1 3.82Å; L176-L180 HydrophobicContact CG-CG 4.26Å; L176-L180 WeakPolarHBondContact O-CB 3.15Å; L176-L180 WeakPolarHBondContact O-CG 3.43Å; L176-L180 PolarHBondContact O-N 3.35Å; L176-Y316 HydrophobicContact CD1-CD1 4.13Å; L176-Y316 HydrophobicContact CD1-CG 4.2Å; L176-L319 HydrophobicContact CD1-CB 4.23Å
177L87.3Confident82.4Confident2 Ų221.9 Ų21.91%0.0112%0.116CC..Hα-helixtrans-55.2-48177.2172.569.7000111.9F123 L128 L156 N173 I174 I175 E179 L180 L181F123-L177 HydrophobicContact CE1-CD1 3.99Å; F123-L177 HydrophobicContact CZ-CD1 3.99Å; L128-L177 HydrophobicContact CD2-CD1 3.91Å; L156-L177 HydrophobicContact CD1-CD1 3.9Å; L156-L177 HydrophobicContact CD1-CD2 3.31Å; L156-L177 HydrophobicContact CD1-CG 4.16Å; L156-L177 HydrophobicContact CD2-CD2 3.82Å; L156-L177 HydrophobicContact CG-CD2 3.44Å; L156-L177 VanDerWaalsContact CG-CD2 3.44Å; N173-L177 WeakPolarHBondContact O-CB 3.47Å; N173-L177 PolarHBondContact O-N 3.32Å; I174-L177 WeakPolarHBondContact O-CB 3.42Å; I174-L177 PolarHBondContact O-N 3.15Å; I175-L177 VanDerWaalsContact C-N 3.3Å; I175-L177 PolarHBondContact O-N 3.03Å; L177-E179 VanDerWaalsContact C-N 3.31Å; L177-E179 PolarHBondContact O-N 2.9Å; L177-L180 PolarHBondContact O-N 3.43Å; L177-L181 HydrophobicContact CD1-CD1 4.03Å; L177-L181 HydrophobicContact CD1-CG 4.19Å; L177-L181 HydrophobicContact CG-CD1 3.95Å; L177-L181 HydrophobicContact CG-CG 4.47Å; L177-L181 WeakPolarHBondContact O-CB 3Å; L177-L181 VanDerWaalsContact O-CG 3.28Å; L177-L181 WeakPolarHBondContact O-CG 2.92Å; L177-L181 PolarHBondContact O-N 3.23Å
178F89.1Confident82.7Confident2 Ų222.8 Ų22.81%0.00913%0.126CC..Hα-helixtrans-64-39.8180-75.115.8000111.2I174 I175 L176 L180 L181 L182 L193 W229 L232 W236I174-F178 HydrophobicContact CG2-CD1 4.22Å; I174-F178 HydrophobicContact CG2-CE1 3.75Å; I174-F178 HydrophobicContact CG2-CE2 4.13Å; I174-F178 HydrophobicContact CG2-CZ 3.75Å; I174-F178 VanDerWaalsContact O-CD1 3.29Å; I174-F178 WeakPolarHBondContact O-CD1 3.35Å; I174-F178 WeakPolarHBondContact O-CG 3.42Å; I174-F178 PolarHBondContact O-N 2.97Å; I175-F178 PolarHBondContact O-N 3.23Å; L176-F178 PolarHBondContact O-N 3.01Å; F178-L180 VanDerWaalsContact C-N 3.33Å; F178-L180 PolarHBondContact O-N 3.31Å; F178-L181 PolarHBondContact O-N 2.86Å; F178-L182 VanDerWaalsContact O-CB 3.23Å; F178-L182 WeakPolarHBondContact O-CB 3.47Å; F178-L182 PolarHBondContact O-N 3.14Å; F178-L193 HydrophobicContact CB-CD1 4.48Å; F178-L193 HydrophobicContact CB-CD2 4.38Å; F178-L193 HydrophobicContact CD2-CD2 3.98Å; F178-L193 HydrophobicContact CE2-CD2 4.45Å; F178-L193 HydrophobicContact CG-CD2 4.08Å; F178-L193 WeakPolarHBondContact O-CD1 3.43Å; F178-W229 AromaticContact CD1-CH2 3.77Å; F178-W229 HydrophobicContact CD1-CH2 3.77Å; F178-W229 HydrophobicContact CD1-CZ3 4.01Å; F178-W229 AromaticContact CE1-CE3 3.92Å; F178-W229 HydrophobicContact CE1-CE3 3.92Å; F178-W229 AromaticContact CE1-CH2 3.3Å; F178-W229 HydrophobicContact CE1-CH2 3.3Å; F178-W229 HydrophobicContact CE1-CZ2 4.26Å; F178-W229 AromaticContact CE1-CZ3 3.1Å; F178-W229 HydrophobicContact CE1-CZ3 3.1Å; F178-W229 AromaticContact CZ-CE3 3.91Å; F178-W229 HydrophobicContact CZ-CE3 3.91Å; F178-W229 AromaticContact CZ-CH2 3.91Å; F178-W229 HydrophobicContact CZ-CH2 3.91Å; F178-W229 AromaticContact CZ-CZ3 3.56Å; F178-W229 HydrophobicContact CZ-CZ3 3.56Å; F178-L232 HydrophobicContact CE2-CB 4.09Å; F178-L232 HydrophobicContact CZ-CB 3.81Å; F178-W236 HydrophobicContact CB-CD2 4.09Å; F178-W236 HydrophobicContact CB-CG 4.35Å; F178-W236 HydrophobicContact CB-CZ2 4.17Å; F178-W236 HydrophobicContact CD2-CB 3.62Å; F178-W236 AromaticContact CD2-CD2 3.6Å; F178-W236 HydrophobicContact CD2-CD2 3.6Å; F178-W236 AromaticContact CD2-CE3 3.92Å; F178-W236 HydrophobicContact CD2-CE3 3.92Å; F178-W236 AromaticContact CD2-CG 3.47Å; F178-W236 HydrophobicContact CD2-CG 3.47Å; F178-W236 VanDerWaalsContact CD2-CG 3.47Å; F178-W236 HydrophobicContact CE2-CB 3.87Å; F178-W236 HydrophobicContact CE2-CG 4.23Å; F178-W236 HydrophobicContact CG-CD2 4.35Å; F178-W236 HydrophobicContact CG-CG 4.39Å
179E92.3Very high83Confident3 Ų316 Ų161%0.01410%0.101CC..Hα-helixtrans-66.7-36.3176.9-67.7-76.4145.800111.9I175 L176 L177 S183 W236 R240 Y316 L319I175-E179 HydrophobicContact CG2-CG 4.45Å; I175-E179 VanDerWaalsContact O-CG 3.24Å; I175-E179 WeakPolarHBondContact O-CG 3.24Å; I175-E179 PolarHBondContact O-N 2.89Å; L176-E179 PolarHBondContact O-N 2.88Å; L177-E179 VanDerWaalsContact C-N 3.31Å; L177-E179 PolarHBondContact O-N 2.9Å; E179-S183 VanDerWaalsContact O-CB 3.28Å; E179-S183 WeakPolarHBondContact O-CB 3.42Å; E179-S183 PolarHBondContact O-N 3.41Å; E179-S183 PolarHBondContact O-OG 2.89Å; E179-W236 WeakPolarHBondContact OE1-CZ2 3.42Å; E179-W236 PolarHBondContact OE1-NE1 3.28Å; E179-R240 VanDerWaalsContact OE1-CD 3.29Å; E179-R240 WeakPolarHBondContact OE1-CD 3.39Å; E179-R240 IonicContact OE1-CZ 2.79Å; E179-R240 IonicContact OE1-NE 2.86Å; E179-R240 PolarHBondContact OE1-NE 3.2Å; E179-R240 IonicContact OE1-NH2 3.57Å; E179-R240 IonicContact OE2-CZ 3.45Å; E179-R240 IonicContact OE2-NE 2.79Å; E179-R240 IonicContact OE2-NH2 2.98Å; E179-R240 PolarHBondContact OE2-NH2 2.95Å; E179-Y316 HydrophobicContact CB-CD1 4.3Å; E179-Y316 HydrophobicContact CB-CE1 3.97Å; E179-L319 HydrophobicContact CB-CD1 3.89Å; E179-L319 HydrophobicContact CG-CD1 3.54Å
180L90.7Very high83.4Confident0 Ų015.9 Ų15.90%010%0.101CC..Hα-helixtrans-71.6-36.1175-64.7173000112.4A125 L128 L129 L176 L177 F178 S183 G184 Y316A125-L180 WeakPolarHBondContact O-CD1 3.24Å; L128-L180 HydrophobicContact CB-CD1 4.19Å; L128-L180 HydrophobicContact CD2-CB 3.56Å; L128-L180 HydrophobicContact CD2-CD1 4.31Å; L128-L180 HydrophobicContact CG-CB 3.87Å; L128-L180 HydrophobicContact CG-CD1 4.2Å; L129-L180 HydrophobicContact CB-CD1 3.92Å; L129-L180 HydrophobicContact CB-CD2 4.31Å; L129-L180 HydrophobicContact CD1-CD2 3.77Å; L176-L180 HydrophobicContact CD1-CD1 3.98Å; L176-L180 HydrophobicContact CD1-CD2 4.31Å; L176-L180 HydrophobicContact CD1-CG 3.99Å; L176-L180 HydrophobicContact CG-CD1 3.82Å; L176-L180 HydrophobicContact CG-CG 4.26Å; L176-L180 WeakPolarHBondContact O-CB 3.15Å; L176-L180 WeakPolarHBondContact O-CG 3.43Å; L176-L180 PolarHBondContact O-N 3.35Å; L177-L180 PolarHBondContact O-N 3.43Å; F178-L180 VanDerWaalsContact C-N 3.33Å; F178-L180 PolarHBondContact O-N 3.31Å; L180-S183 WeakPolarHBondContact CA-OG 3.01Å; L180-S183 CarbonylContact O-C 3.57Å; L180-S183 PolarHBondContact O-OG 3.48Å; L180-G184 WeakPolarHBondContact O-CA 3.31Å; L180-G184 PolarHBondContact O-N 2.78Å; L180-Y316 HydrophobicContact CD2-CD1 4.31Å; L180-Y316 HydrophobicContact CD2-CD2 4.21Å; L180-Y316 HydrophobicContact CD2-CE1 4.3Å; L180-Y316 HydrophobicContact CD2-CE2 4.23Å; L180-Y316 HydrophobicContact CD2-CG 4.29Å
181L87Confident83.6Confident4 Ų419 Ų192%0.02112%0.12CC..Hα-helixtrans-70.7-42.7174.4-72.5171.3000111.5L128 I138 L177 F178 S183 G184 L189 N190 L193 W229L128-L181 HydrophobicContact CD2-CD2 4.09Å; L128-L181 HydrophobicContact CD2-CG 4.16Å; I138-L181 HydrophobicContact CD1-CD2 3.94Å; L177-L181 HydrophobicContact CD1-CD1 4.03Å; L177-L181 HydrophobicContact CD1-CG 4.19Å; L177-L181 HydrophobicContact CG-CD1 3.95Å; L177-L181 HydrophobicContact CG-CG 4.47Å; L177-L181 WeakPolarHBondContact O-CB 3Å; L177-L181 VanDerWaalsContact O-CG 3.28Å; L177-L181 WeakPolarHBondContact O-CG 2.92Å; L177-L181 PolarHBondContact O-N 3.23Å; F178-L181 PolarHBondContact O-N 2.86Å; L181-S183 VanDerWaalsContact C-N 3.3Å; L181-S183 PolarHBondContact O-N 3.41Å; L181-G184 PolarHBondContact O-N 3.29Å; L181-G184 VanDerWaalsContact O-N 3.1Å; L181-L189 HydrophobicContact CD1-CD1 4.07Å; L181-L189 HydrophobicContact CD2-CD1 4.04Å; L181-N190 PolarHBondContact O-ND2 3.45Å; L181-L193 HydrophobicContact CB-CD1 3.64Å; L181-W229 HydrophobicContact CD1-CH2 3.84Å; L181-W229 HydrophobicContact CD1-CZ2 4.49Å
182L89.1Confident83.6Confident0 Ų020.6 Ų20.60%013%0.133CC..Hα-helixtrans-61.9-39.1176-175.473.3000111.7F178 G184 N190 L193 W194 L197 W236 L261 I269 R273F178-L182 VanDerWaalsContact O-CB 3.23Å; F178-L182 WeakPolarHBondContact O-CB 3.47Å; F178-L182 PolarHBondContact O-N 3.14Å; L182-G184 VanDerWaalsContact C-N 3.31Å; L182-N190 VanDerWaalsContact CA-ND2 3.34Å; L182-N190 WeakPolarHBondContact CA-ND2 3.25Å; L182-N190 PolarHBondContact O-ND2 2.85Å; L182-L193 HydrophobicContact CB-CD1 4.25Å; L182-L193 HydrophobicContact CD1-CB 3.97Å; L182-W194 HydrophobicContact CD1-CD2 3.85Å; L182-W194 HydrophobicContact CD1-CE3 4.46Å; L182-W194 HydrophobicContact CD1-CG 4.05Å; L182-W194 HydrophobicContact CD1-CZ2 4.06Å; L182-W194 HydrophobicContact CG-CZ2 4.39Å; L182-L197 HydrophobicContact CD1-CD1 3.91Å; L182-L197 HydrophobicContact CD2-CD1 4.07Å; L182-W236 HydrophobicContact CB-CH2 4.46Å; L182-W236 HydrophobicContact CD1-CH2 4.3Å; L182-W236 HydrophobicContact CD2-CH2 3.9Å; L182-W236 HydrophobicContact CD2-CZ2 4.1Å; L182-W236 HydrophobicContact CG-CH2 4.44Å; L182-L261 HydrophobicContact CD2-CD1 4.29Å; L182-I269 HydrophobicContact CD2-CD1 3.54Å; L182-I269 HydrophobicContact CD2-CG1 4.37Å; L182-I269 HydrophobicContact CG-CD1 4.09Å; L182-R273 PolarHBondContact O-NH2 2.94Å
183S90.2Very high83.8Confident0 Ų020 Ų200%013%0.127CC..THydrogen-bonded Turntrans-88.73.3175.362.50000114.4E179 L180 L181 R272 R273 Y316E179-S183 VanDerWaalsContact O-CB 3.28Å; E179-S183 WeakPolarHBondContact O-CB 3.42Å; E179-S183 PolarHBondContact O-N 3.41Å; E179-S183 PolarHBondContact O-OG 2.89Å; L180-S183 WeakPolarHBondContact CA-OG 3.01Å; L180-S183 CarbonylContact O-C 3.57Å; L180-S183 PolarHBondContact O-OG 3.48Å; L181-S183 VanDerWaalsContact C-N 3.3Å; L181-S183 PolarHBondContact O-N 3.41Å; S183-R272 WeakPolarHBondContact OG-CD 3.25Å; S183-R272 PolarHBondContact OG-NE 3.19Å; S183-R273 VanDerWaalsContact O-CG 3.24Å; S183-R273 WeakPolarHBondContact O-CG 3.42Å; S183-Y316 VanDerWaalsContact CB-OH 3.3Å; S183-Y316 WeakPolarHBondContact CB-OH 3.41Å; S183-Y316 PolarHBondContact OG-OH 3.34Å
184G83.7Confident83.9Confident3 Ų323.9 Ų23.93%0.03114%0.141CC..SBendtrans-76.2-176178.200000113.4L180 L181 L182 R273L180-G184 WeakPolarHBondContact O-CA 3.31Å; L180-G184 PolarHBondContact O-N 2.78Å; L181-G184 PolarHBondContact O-N 3.29Å; L181-G184 VanDerWaalsContact O-N 3.1Å; L182-G184 VanDerWaalsContact C-N 3.31Å; G184-R273 PolarHBondContact O-NE 3.38Å
185P72.1Confident83.9Confident42 Ų4228 Ų2827%0.27316%0.163SC..SBendtrans-59163.9166.435.5-44.4000110.8V135 C187V135-P185 HydrophobicContact CB-CG 4.13Å; V135-P185 HydrophobicContact CG1-CB 4.31Å; V135-P185 HydrophobicContact CG1-CG 3.63Å; V135-P185 HydrophobicContact CG2-CB 4.24Å; V135-P185 HydrophobicContact CG2-CG 3.48Å; V135-P185 VanDerWaalsContact CG2-CG 3.48Å; P185-C187 PolarHBondContact O-N 2.63Å; P185-C187 VanDerWaalsContact O-N 3.12Å
186V70.4Confident83.7Confident120 Ų12027.6 Ų27.673%0.72716%0.161SC*.SBendtrans-68.1113.2172.2-1760000108.7
187C73.2Confident83.5Confident20 Ų2028.6 Ų28.614%0.13517%0.166CC..  trans-140166.7172.969.80000109.4P185 L189 N190 T191P185-C187 PolarHBondContact O-N 2.63Å; P185-C187 VanDerWaalsContact O-N 3.12Å; C187-L189 PolarHBondContact O-N 2.96Å; C187-N190 WeakPolarHBondContact O-CA 3.24Å; C187-N190 VanDerWaalsContact O-CB 3.25Å; C187-N190 WeakPolarHBondContact O-CB 3.44Å; C187-N190 PolarHBondContact O-N 3.38Å; C187-N190 PolarHBondContact SG-N 2.92Å; C187-N190 VanDerWaalsContact SG-N 3.44Å; C187-T191 PolarHBondContact O-N 3.18Å; C187-T191 PolarHBondContact O-OG1 3.5Å
188P74.2Confident83.3Confident85 Ų8531.1 Ų31.155%0.55219%0.193SC*.Hα-helixtrans-54.2-38.3179.9-28.636.4000113.9T191 A192P188-T191 PolarHBondContact O-N 3.36Å; P188-A192 WeakPolarHBondContact O-CB 3.01Å; P188-A192 PolarHBondContact O-N 3.38Å
189L76.3Confident82.9Confident13 Ų1337.6 Ų37.67%0.06822%0.218CC..Hα-helixtrans-63.3-42.1174.7-67.1178.5000112.1I138 L142 L181 C187 T191 A192 L193 W229I138-L189 HydrophobicContact CG2-CD1 4.17Å; L142-L189 HydrophobicContact CD1-CD1 3.81Å; L142-L189 HydrophobicContact CD1-CG 3.76Å; L142-L189 HydrophobicContact CD2-CD1 3.82Å; L142-L189 HydrophobicContact CD2-CD2 3.94Å; L142-L189 HydrophobicContact CD2-CG 3.78Å; L142-L189 HydrophobicContact CG-CD1 4.13Å; L142-L189 HydrophobicContact CG-CG 4.31Å; L181-L189 HydrophobicContact CD1-CD1 4.07Å; L181-L189 HydrophobicContact CD2-CD1 4.04Å; C187-L189 PolarHBondContact O-N 2.96Å; L189-T191 VanDerWaalsContact C-N 3.33Å; L189-T191 PolarHBondContact O-N 3.38Å; L189-A192 PolarHBondContact O-N 3.4Å; L189-L193 WeakPolarHBondContact O-CG 3.26Å; L189-L193 PolarHBondContact O-N 3.41Å; L189-W229 HydrophobicContact CD2-CH2 4.32Å; L189-W229 HydrophobicContact CD2-CZ2 3.67Å
190N82.3Confident82.1Confident5 Ų537.5 Ų37.53%0.02722%0.217CC..Hα-helixtrans-58.3-47.1175.1-175.2-100.4000111L181 L182 C187 A192 L193 W194 R273L181-N190 PolarHBondContact O-ND2 3.45Å; L182-N190 VanDerWaalsContact CA-ND2 3.34Å; L182-N190 WeakPolarHBondContact CA-ND2 3.25Å; L182-N190 PolarHBondContact O-ND2 2.85Å; C187-N190 WeakPolarHBondContact O-CA 3.24Å; C187-N190 VanDerWaalsContact O-CB 3.25Å; C187-N190 WeakPolarHBondContact O-CB 3.44Å; C187-N190 PolarHBondContact O-N 3.38Å; C187-N190 PolarHBondContact SG-N 2.92Å; C187-N190 VanDerWaalsContact SG-N 3.44Å; N190-A192 VanDerWaalsContact C-N 3.35Å; N190-A192 PolarHBondContact O-N 2.93Å; N190-L193 PolarHBondContact O-N 2.82Å; N190-W194 PolarHBondContact O-N 3.03Å; N190-W194 VanDerWaalsContact OD1-CD1 3.26Å; N190-W194 PolarHBondContact OD1-NE1 3.45Å; N190-R273 PolarHBondContact ND2-NH2 3.44Å; N190-R273 VanDerWaalsContact ND2-NH2 3.17Å; N190-R273 PolarHBondContact OD1-NH2 3.4Å
191T81.8Confident81.1Confident68 Ų6841.2 Ų41.242%0.41724%0.244SC..Hα-helixtrans-61.9-42.3177.2-57.10000111.5C187 P188 L189 L193 W194 L195C187-T191 PolarHBondContact O-N 3.18Å; C187-T191 PolarHBondContact O-OG1 3.5Å; P188-T191 PolarHBondContact O-N 3.36Å; L189-T191 VanDerWaalsContact C-N 3.33Å; L189-T191 PolarHBondContact O-N 3.38Å; T191-L193 VanDerWaalsContact C-N 3.35Å; T191-L193 PolarHBondContact O-N 3.26Å; T191-W194 PolarHBondContact O-N 2.86Å; T191-L195 HydrophobicContact CG2-CD1 4.12Å; T191-L195 HydrophobicContact CG2-CG 4.43Å; T191-L195 WeakPolarHBondContact O-CB 3.5Å; T191-L195 VanDerWaalsContact O-CG 3.31Å; T191-L195 WeakPolarHBondContact O-CG 3.44Å; T191-L195 PolarHBondContact O-N 2.89Å
192A82.1Confident80Confident33 Ų3347.7 Ų47.727%0.27328%0.277SS..Hα-helixtrans-60.6-42.1176.700000112.2P188 L189 N190 L195 A196P188-A192 WeakPolarHBondContact O-CB 3.01Å; P188-A192 PolarHBondContact O-N 3.38Å; L189-A192 PolarHBondContact O-N 3.4Å; N190-A192 VanDerWaalsContact C-N 3.35Å; N190-A192 PolarHBondContact O-N 2.93Å; A192-L195 PolarHBondContact O-N 3.4Å; A192-A196 WeakPolarHBondContact O-CB 3Å; A192-A196 PolarHBondContact O-N 2.73Å
193L87.5Confident78.7Confident0 Ų050 Ų500%029%0.291CS..Hα-helixtrans-66.6-40.8176.9-66.4171.5000112.2F178 L181 L182 L189 N190 T191 L195 A196 L197 W229 W236F178-L193 HydrophobicContact CB-CD1 4.48Å; F178-L193 HydrophobicContact CB-CD2 4.38Å; F178-L193 HydrophobicContact CD2-CD2 3.98Å; F178-L193 HydrophobicContact CE2-CD2 4.45Å; F178-L193 HydrophobicContact CG-CD2 4.08Å; F178-L193 WeakPolarHBondContact O-CD1 3.43Å; L181-L193 HydrophobicContact CB-CD1 3.64Å; L182-L193 HydrophobicContact CB-CD1 4.25Å; L182-L193 HydrophobicContact CD1-CB 3.97Å; L189-L193 WeakPolarHBondContact O-CG 3.26Å; L189-L193 PolarHBondContact O-N 3.41Å; N190-L193 PolarHBondContact O-N 2.82Å; T191-L193 VanDerWaalsContact C-N 3.35Å; T191-L193 PolarHBondContact O-N 3.26Å; L193-L195 VanDerWaalsContact C-N 3.35Å; L193-A196 PolarHBondContact O-N 2.74Å; L193-L197 WeakPolarHBondContact O-CG 3.27Å; L193-L197 PolarHBondContact O-N 3.34Å; L193-W229 HydrophobicContact CD2-CZ2 4.24Å; L193-W236 HydrophobicContact CB-CH2 4.24Å; L193-W236 HydrophobicContact CB-CZ3 4.02Å; L193-W236 HydrophobicContact CD2-CE3 3.95Å; L193-W236 HydrophobicContact CD2-CH2 4.25Å; L193-W236 HydrophobicContact CD2-CZ3 3.64Å; L193-W236 HydrophobicContact CG-CZ3 4.35Å
194W87.2Confident77.2Confident86 Ų8654 Ų5433%0.32631%0.312SS..Hα-helixtrans-63.5-39.6173.2-80.8111.7000112.5L182 N190 T191 L197 G198 L261 I269L182-W194 HydrophobicContact CD1-CD2 3.85Å; L182-W194 HydrophobicContact CD1-CE3 4.46Å; L182-W194 HydrophobicContact CD1-CG 4.05Å; L182-W194 HydrophobicContact CD1-CZ2 4.06Å; L182-W194 HydrophobicContact CG-CZ2 4.39Å; N190-W194 PolarHBondContact O-N 3.03Å; N190-W194 VanDerWaalsContact OD1-CD1 3.26Å; N190-W194 PolarHBondContact OD1-NE1 3.45Å; T191-W194 PolarHBondContact O-N 2.86Å; W194-L197 HydrophobicContact CE3-CD1 4.14Å; W194-L197 HydrophobicContact CZ3-CD1 4.32Å; W194-L197 PolarHBondContact O-N 3.11Å; W194-G198 PolarHBondContact O-N 3.41Å; W194-L261 HydrophobicContact CH2-CD1 3.9Å; W194-L261 HydrophobicContact CZ3-CD1 4.08Å; W194-I269 HydrophobicContact CH2-CD1 4.48Å; W194-I269 HydrophobicContact CZ2-CG2 4.39Å
195L85.7Confident76.6Confident88 Ų8857.8 Ų57.846%0.46134%0.339SS..Hα-helixtrans-65.4-40.5174.6-73.6172.3000111.8T191 A192 L193 G198 R199T191-L195 HydrophobicContact CG2-CD1 4.12Å; T191-L195 HydrophobicContact CG2-CG 4.43Å; T191-L195 WeakPolarHBondContact O-CB 3.5Å; T191-L195 VanDerWaalsContact O-CG 3.31Å; T191-L195 WeakPolarHBondContact O-CG 3.44Å; T191-L195 PolarHBondContact O-N 2.89Å; A192-L195 PolarHBondContact O-N 3.4Å; L193-L195 VanDerWaalsContact C-N 3.35Å; L195-G198 PolarHBondContact O-N 2.78Å; L195-R199 VanDerWaalsContact O-CB 3.32Å; L195-R199 WeakPolarHBondContact O-CB 3.33Å; L195-R199 VanDerWaalsContact O-CG 3.28Å; L195-R199 WeakPolarHBondContact O-CG 3.46Å; L195-R199 PolarHBondContact O-N 3.38Å
196A84.4Confident76.8Confident5 Ų557.4 Ų57.44%0.04133%0.333CS..Hα-helixtrans-59.1-49.3175.100000110.6A192 L193 G198 R199 V200 I234 A237A192-A196 WeakPolarHBondContact O-CB 3Å; A192-A196 PolarHBondContact O-N 2.73Å; L193-A196 PolarHBondContact O-N 2.74Å; A196-G198 VanDerWaalsContact C-N 3.3Å; A196-G198 PolarHBondContact O-N 3.31Å; A196-R199 PolarHBondContact O-N 3.5Å; A196-R199 VanDerWaalsContact O-N 3.12Å; A196-V200 WeakPolarHBondContact O-CG2 3.43Å; A196-V200 PolarHBondContact O-N 3.29Å; A196-V200 VanDerWaalsContact O-N 3.16Å; A196-I234 HydrophobicContact CB-CD1 4.32Å; A196-A237 HydrophobicContact CB-CB 3.86Å
197L86.5Confident77.1Confident21 Ų2156.2 Ų56.211%0.1132%0.323CS..Hα-helixtrans-58.4-37.9175.2-71.3169.9000113.1L182 L193 W194 R199 W236 A237 R240 S241 L261L182-L197 HydrophobicContact CD1-CD1 3.91Å; L182-L197 HydrophobicContact CD2-CD1 4.07Å; L193-L197 WeakPolarHBondContact O-CG 3.27Å; L193-L197 PolarHBondContact O-N 3.34Å; W194-L197 HydrophobicContact CE3-CD1 4.14Å; W194-L197 HydrophobicContact CZ3-CD1 4.32Å; W194-L197 PolarHBondContact O-N 3.11Å; L197-R199 VanDerWaalsContact C-N 3.34Å; L197-W236 HydrophobicContact CD1-CH2 4Å; L197-W236 HydrophobicContact CD1-CZ3 4.35Å; L197-W236 HydrophobicContact CD2-CH2 4.28Å; L197-W236 HydrophobicContact CD2-CZ3 4.21Å; L197-W236 HydrophobicContact CG-CH2 4.15Å; L197-W236 HydrophobicContact CG-CZ3 4.03Å; L197-A237 HydrophobicContact CD2-CB 4Å; L197-A237 HydrophobicContact CG-CB 4.35Å; L197-R240 HydrophobicContact CD2-CB 3.98Å; L197-R240 HydrophobicContact CD2-CG 3.98Å; L197-S241 WeakPolarHBondContact CD2-OG 3.45Å; L197-L261 HydrophobicContact CD1-CD1 4.34Å; L197-L261 HydrophobicContact CD1-CD2 4.45Å; L197-L261 HydrophobicContact CD2-CD2 4.41Å
198G83.3Confident77.1Confident56 Ų5658.1 Ų58.158%0.57733%0.331SS*.Hα-helixtrans-77-16.5178.400000114.8W194 L195 A196W194-G198 PolarHBondContact O-N 3.41Å; L195-G198 PolarHBondContact O-N 2.78Å; A196-G198 VanDerWaalsContact C-N 3.3Å; A196-G198 PolarHBondContact O-N 3.31Å
199R81.2Confident77.2Confident137 Ų13757.8 Ų57.852%0.51733%0.331SS..Hα-helixtrans-110.60.6-175.2-70.9-177.8178.8-166.51114.1L195 A196 L197 S201 L202 V203L195-R199 VanDerWaalsContact O-CB 3.32Å; L195-R199 WeakPolarHBondContact O-CB 3.33Å; L195-R199 VanDerWaalsContact O-CG 3.28Å; L195-R199 WeakPolarHBondContact O-CG 3.46Å; L195-R199 PolarHBondContact O-N 3.38Å; A196-R199 PolarHBondContact O-N 3.5Å; A196-R199 VanDerWaalsContact O-N 3.12Å; L197-R199 VanDerWaalsContact C-N 3.34Å; R199-S201 PolarHBondContact O-N 3.32Å; R199-S201 VanDerWaalsContact O-N 3.17Å; R199-L202 WeakPolarHBondContact O-CA 3.37Å; R199-L202 WeakPolarHBondContact O-CB 3.4Å; R199-L202 PolarHBondContact O-N 3.37Å; R199-V203 HydrophobicContact CB-CG2 4.23Å; R199-V203 PolarHBondContact O-N 2.99Å
200V75.5Confident77.5Confident1 Ų158.3 Ų58.31%0.00634%0.335CS..THydrogen-bonded Turntrans-50.9-43.4-178.9-176.90000111.7A196 L202 N204 A237 Y258A196-V200 WeakPolarHBondContact O-CG2 3.43Å; A196-V200 PolarHBondContact O-N 3.29Å; A196-V200 VanDerWaalsContact O-N 3.16Å; V200-L202 PolarHBondContact O-N 3.4Å; V200-N204 PolarHBondContact O-OD1 2.9Å; V200-A237 HydrophobicContact CG2-CB 3.66Å; V200-Y258 HydrophobicContact CB-CD1 4.34Å; V200-Y258 HydrophobicContact CB-CG 4.32Å; V200-Y258 HydrophobicContact CG1-CD1 3.38Å; V200-Y258 HydrophobicContact CG1-CD2 3.83Å; V200-Y258 HydrophobicContact CG1-CE1 3.23Å; V200-Y258 HydrophobicContact CG1-CE2 3.69Å; V200-Y258 HydrophobicContact CG1-CG 3.66Å
201S69.6Low77.5Confident79 Ų7962.7 Ų62.755%0.55237%0.372SS*.THydrogen-bonded Turntrans-68.7-17.5178.556.50000115.1R199R199-S201 PolarHBondContact O-N 3.32Å; R199-S201 VanDerWaalsContact O-N 3.17Å
202L64.6Low77.6Confident140 Ų14063 Ų6373%0.73338%0.377SS*.THydrogen-bonded Turntrans-101.7-26.1-175.1-63.5170.1000112.7R199 V200R199-L202 WeakPolarHBondContact O-CA 3.37Å; R199-L202 WeakPolarHBondContact O-CB 3.4Å; R199-L202 PolarHBondContact O-N 3.37Å; V200-L202 PolarHBondContact O-N 3.4Å
203V61.3Low77.7Confident48 Ų4865.2 Ų65.229%0.29138%0.379SS..  trans-124.273.7-172-171.10000108.9R199 S205 I234R199-V203 HydrophobicContact CB-CG2 4.23Å; R199-V203 PolarHBondContact O-N 2.99Å; V203-S205 VanDerWaalsContact C-N 3.32Å; V203-S205 PolarHBondContact O-N 3.11Å; V203-S205 VanDerWaalsContact O-N 3.16Å; V203-I234 HydrophobicContact CB-CD1 4.44Å; V203-I234 HydrophobicContact CG1-CD1 4.35Å
204N59.1Low77.5Confident83 Ų8366.7 Ų66.744%0.44439%0.389SS..  trans-88.162.7179.3-73.4-27.8000111.6V200V200-N204 PolarHBondContact O-OD1 2.9Å
205S70Confident77.1Confident84 Ų8466.6 Ų66.659%0.58739%0.394SS*.  trans-74.5-20.4165.956.50000112V203V203-S205 VanDerWaalsContact C-N 3.32Å; V203-S205 PolarHBondContact O-N 3.11Å; V203-S205 VanDerWaalsContact O-N 3.16Å
206H77.3Confident76.9Confident33 Ų3363.6 Ų63.615%0.15338%0.381CS..SBendtrans-100.6141.2178.4-16957.3000112I208 C210 H239H206-I208 PolarHBondContact O-N 3.07Å; H206-C210 WeakPolarHBondContact NE2-CB 3.49Å; H206-H239 AromaticContact CD2-NE2 3.71Å; H206-H239 AromaticContact CE1-NE2 3.93Å; H206-H239 AromaticContact NE2-CD2 3.53Å; H206-H239 AromaticContact NE2-CE1 3.87Å; H206-H239 AromaticContact NE2-NE2 2.89Å; H206-H239 PolarHBondContact NE2-NE2 3.26Å
207N77.1Confident76.7Confident96 Ų9663.5 Ų63.551%0.51338%0.38SS..  trans-68.7121-179.5-179.29000111.4S209 C210N207-S209 PolarHBondContact ND2-OG 3.17Å; N207-S209 PolarHBondContact O-N 3.19Å; N207-S209 PolarHBondContact OD1-N 3.08Å; N207-S209 PolarHBondContact OD1-OG 2.88Å; N207-C210 HydrophobicContact CB-CB 4.4Å; N207-C210 WeakPolarHBondContact O-CB 3.36Å; N207-C210 PolarHBondContact O-N 3.08Å
208I72.6Confident76Confident59 Ų5963.6 Ų63.630%0.30338%0.379SS..THydrogen-bonded Turntrans-58.8-32.2177.4-44-169.3000111.9H206 C210 L242 L256 Y258H206-I208 PolarHBondContact O-N 3.07Å; I208-C210 VanDerWaalsContact C-N 3.3Å; I208-C210 PolarHBondContact O-N 3.1Å; I208-L242 HydrophobicContact CG2-CD1 4.22Å; I208-L256 HydrophobicContact CG2-CB 3.95Å; I208-L256 HydrophobicContact CG2-CD1 4.21Å; I208-L256 WeakPolarHBondContact O-CD1 3.2Å; I208-Y258 HydrophobicContact CD1-CE2 3.93Å; I208-Y258 HydrophobicContact CG1-CE2 4.33Å; I208-Y258 WeakPolarHBondContact CG1-OH 3.39Å; I208-Y258 HydrophobicContact CG2-CE2 4.43Å
209S75.7Confident74.8Confident78 Ų7865.9 Ų65.955%0.54538%0.378SS..THydrogen-bonded Turntrans-8912.5177.866.60000113.8N207 A211N207-S209 PolarHBondContact ND2-OG 3.17Å; N207-S209 PolarHBondContact O-N 3.19Å; N207-S209 PolarHBondContact OD1-N 3.08Å; N207-S209 PolarHBondContact OD1-OG 2.88Å; S209-A211 PolarHBondContact O-N 3.41Å; S209-A211 VanDerWaalsContact O-N 3.09Å
210C81.8Confident73.3Confident24 Ų2466.4 Ų66.416%0.16239%0.391CS..  trans-58.1118.4178.7-176.20000110.6H206 N207 I208 C216 H239H206-C210 WeakPolarHBondContact NE2-CB 3.49Å; N207-C210 HydrophobicContact CB-CB 4.4Å; N207-C210 WeakPolarHBondContact O-CB 3.36Å; N207-C210 PolarHBondContact O-N 3.08Å; I208-C210 VanDerWaalsContact C-N 3.3Å; I208-C210 PolarHBondContact O-N 3.1Å; C210-C216 WeakPolarHBondContact SG-CB 3.45Å; C210-H239 PolarHBondContact O-CE1 3Å; C210-H239 VanDerWaalsContact O-CE1 3.29Å
211A83.1Confident72.1Confident97 Ų9773.5 Ų73.580%0.80243%0.429SS*.  trans-98.1-5.8173.800000112.5S209 Y213S209-A211 PolarHBondContact O-N 3.41Å; S209-A211 VanDerWaalsContact O-N 3.09Å; A211-Y213 VanDerWaalsContact C-N 3.26Å; A211-Y213 PolarHBondContact O-N 3Å
212S83.7Confident71.3Confident74 Ų7471.8 Ų71.852%0.51742%0.417SS..  trans-83.39.8-172.4-51.60000114N215 C216S212-N215 CarbonylContact O-C 3.52Å; S212-N215 VanDerWaalsContact O-CA 3.31Å; S212-N215 WeakPolarHBondContact O-CA 3.21Å; S212-N215 VanDerWaalsContact O-CB 3.25Å; S212-N215 WeakPolarHBondContact O-CB 3.43Å; S212-N215 PolarHBondContact O-N 3.08Å; S212-C216 PolarHBondContact O-N 3.35Å
213Y84.5Confident70.9Confident80 Ų8072.6 Ų72.631%0.31441%0.411SS..THydrogen-bonded Turntrans-64.6134.9177.8-171-103.3000111I175 A211 L217 H239I175-Y213 HydrophobicContact CD1-CE1 3.78Å; I175-Y213 HydrophobicContact CD1-CE2 3.95Å; I175-Y213 WeakPolarHBondContact CD1-OH 3.5Å; I175-Y213 HydrophobicContact CG1-CE2 4.38Å; I175-Y213 VanDerWaalsContact CG1-OH 3.26Å; I175-Y213 WeakPolarHBondContact CG1-OH 3.23Å; A211-Y213 VanDerWaalsContact C-N 3.26Å; A211-Y213 PolarHBondContact O-N 3Å; Y213-L217 HydrophobicContact CE2-CD1 4.18Å; Y213-L217 HydrophobicContact CE2-CG 4.33Å; Y213-H239 HydrophobicContact CD1-CB 4.49Å; Y213-H239 HydrophobicContact CD2-CB 3.69Å; Y213-H239 AromaticContact CD2-CD2 3.24Å; Y213-H239 WeakPolarHBondContact CD2-CD2 3.22Å; Y213-H239 AromaticContact CD2-CG 3.36Å; Y213-H239 AromaticContact CD2-NE2 3.88Å; Y213-H239 HydrophobicContact CE2-CB 3.7Å; Y213-H239 AromaticContact CE2-CD2 3.91Å; Y213-H239 AromaticContact CE2-CG 3.91Å; Y213-H239 HydrophobicContact CG-CB 4.08Å; Y213-H239 AromaticContact CG-CD2 3.9Å; Y213-H239 AromaticContact CG-CG 3.69Å; Y213-H239 AromaticContact CG-ND1 3.93Å
214P82.6Confident70.9Confident32 Ų3270.8 Ų70.821%0.20840%0.4CS..THydrogen-bonded Turncis-91.4-1.77.139.8-40.3000114.8A171 I175 C216 L217A171-P214 HydrophobicContact CB-CB 3.73Å; A171-P214 HydrophobicContact CB-CG 3.8Å; I175-P214 HydrophobicContact CD1-CB 3.27Å; I175-P214 HydrophobicContact CD1-CG 4.34Å; P214-C216 PolarHBondContact O-N 2.53Å; P214-L217 WeakPolarHBondContact O-CB 3.24Å; P214-L217 WeakPolarHBondContact O-CG 3.49Å; P214-L217 PolarHBondContact O-N 3.43Å; P214-L217 VanDerWaalsContact O-N 3.08Å
215N80.5Confident71Confident83 Ų8372 Ų7244%0.44440%0.398SS..G310 helixtrans-62.2-25.9-177.3-56.3-20.9000112.5S212 L217 F218S212-N215 CarbonylContact O-C 3.52Å; S212-N215 VanDerWaalsContact O-CA 3.31Å; S212-N215 WeakPolarHBondContact O-CA 3.21Å; S212-N215 VanDerWaalsContact O-CB 3.25Å; S212-N215 WeakPolarHBondContact O-CB 3.43Å; S212-N215 PolarHBondContact O-N 3.08Å; N215-L217 PolarHBondContact O-N 3.42Å; N215-F218 CarbonylContact O-C 3.59Å; N215-F218 WeakPolarHBondContact O-CA 3.46Å; N215-F218 WeakPolarHBondContact O-CB 3.28Å; N215-F218 PolarHBondContact O-N 3.34Å
216C81.4Confident70.8Confident26 Ų2674 Ų7418%0.17640%0.403CS..G310 helixtrans-64.2-15.9175.665.90000114.6C210 S212 P214 F218 H239C210-C216 WeakPolarHBondContact SG-CB 3.45Å; S212-C216 PolarHBondContact O-N 3.35Å; P214-C216 PolarHBondContact O-N 2.53Å; C216-F218 PolarHBondContact O-N 2.86Å; C216-H239 PolarHBondContact SG-NE2 2.88Å
217L79.3Confident70.6Confident3 Ų373.2 Ų73.22%0.01640%0.4CS..G310 helixtrans-65.7-16.2168.2-62.9176.1000111.4I174 I175 Y213 P214 N215 L232 A235 W236I174-L217 HydrophobicContact CG2-CD1 4.21Å; I175-L217 HydrophobicContact CD1-CD1 3.95Å; I175-L217 HydrophobicContact CG1-CD1 3.57Å; Y213-L217 HydrophobicContact CE2-CD1 4.18Å; Y213-L217 HydrophobicContact CE2-CG 4.33Å; P214-L217 WeakPolarHBondContact O-CB 3.24Å; P214-L217 WeakPolarHBondContact O-CG 3.49Å; P214-L217 PolarHBondContact O-N 3.43Å; P214-L217 VanDerWaalsContact O-N 3.08Å; N215-L217 PolarHBondContact O-N 3.42Å; L217-L232 HydrophobicContact CB-CD2 4.03Å; L217-L232 HydrophobicContact CD2-CD2 4.4Å; L217-L232 WeakPolarHBondContact O-CD2 3.4Å; L217-A235 HydrophobicContact CD2-CB 3.78Å; L217-W236 HydrophobicContact CD2-CB 4.17Å
218F72.2Confident70.4Confident23 Ų2370.4 Ų70.410%0.10139%0.388CS..SBendtrans-108.5114.1169.7-54.9-74.3000108.9I167 T170 A171 I174 N215 C216 N220 I224I167-F218 HydrophobicContact CG2-CB 4.12Å; I167-F218 HydrophobicContact CG2-CD1 4.3Å; I167-F218 HydrophobicContact CG2-CD2 3.27Å; I167-F218 HydrophobicContact CG2-CE2 3.62Å; I167-F218 HydrophobicContact CG2-CG 3.62Å; I167-F218 HydrophobicContact CG2-CZ 4.34Å; I167-F218 WeakPolarHBondContact O-CE2 3.15Å; T170-F218 HydrophobicContact CG2-CE1 3.93Å; T170-F218 HydrophobicContact CG2-CZ 3.63Å; A171-F218 HydrophobicContact CB-CD2 4.14Å; A171-F218 HydrophobicContact CB-CE2 3.3Å; A171-F218 HydrophobicContact CB-CZ 4.11Å; A171-F218 VanDerWaalsContact N-CE2 3.3Å; A171-F218 VanDerWaalsContact N-CZ 3.29Å; I174-F218 HydrophobicContact CD1-CE1 3.82Å; I174-F218 HydrophobicContact CD1-CZ 3.66Å; N215-F218 CarbonylContact O-C 3.59Å; N215-F218 WeakPolarHBondContact O-CA 3.46Å; N215-F218 WeakPolarHBondContact O-CB 3.28Å; N215-F218 PolarHBondContact O-N 3.34Å; C216-F218 PolarHBondContact O-N 2.86Å; F218-N220 PolarHBondContact O-N 3.15Å; F218-N220 VanDerWaalsContact O-N 3.11Å; F218-I224 HydrophobicContact CD1-CG1 4.41Å; F218-I224 HydrophobicContact CE1-CD1 3.68Å; F218-I224 HydrophobicContact CE1-CG1 4.03Å
219N58.6Low70.5Confident103 Ų10369.6 Ų69.655%0.55138%0.381SS*.  trans-67.8112.9175.1-16810.5000109.2D221 S222N219-D221 PolarHBondContact O-N 2.95Å; N219-S222 PolarHBondContact O-N 3.31Å; N219-S222 PolarHBondContact O-OG 2.91Å
220N48.8Very low70.6Confident148 Ų14870.8 Ų70.879%0.79138%0.378SS*.THydrogen-bonded Turntrans20.467.9168.5-71.7-17000115.7F218 S222F218-N220 PolarHBondContact O-N 3.15Å; F218-N220 VanDerWaalsContact O-N 3.11Å; N220-S222 PolarHBondContact O-N 3.32Å
221D50Low70.5Confident151 Ų15173.2 Ų73.281%0.80739%0.389SS*.THydrogen-bonded Turntrans60.112.4174.7-56.1-34.4000116.6N219N219-D221 PolarHBondContact O-N 2.95Å
222S53.3Low70.4Confident43 Ų4368.7 Ų68.730%0.30135%0.352SS..  trans-74.6138.116962.90000110.5N219 N220 I224N219-S222 PolarHBondContact O-N 3.31Å; N219-S222 PolarHBondContact O-OG 2.91Å; N220-S222 PolarHBondContact O-N 3.32Å; S222-I224 PolarHBondContact O-N 3.12Å
223Y57Low70.3Confident156 Ų15665.5 Ų65.561%0.61233%0.329SS*.  trans-44.2132.2176.1-94.9-80.1000110.7W225 N226Y223-W225 AromaticContact CD1-CD1 3.64Å; Y223-W225 PolarHBondContact O-N 2.82Å; Y223-N226 WeakPolarHBondContact O-CB 3.4Å; Y223-N226 PolarHBondContact O-N 3.21Å
224I60.2Low70.3Confident10 Ų1061.9 Ų61.95%0.05132%0.315CS..G310 helixtrans-47.9-33.4180-163.1168.2000112.7F157 M161 T170 I174 F218 S222 N226 T227F157-I224 HydrophobicContact CB-CD1 3.96Å; F157-I224 HydrophobicContact CB-CG1 4.41Å; F157-I224 HydrophobicContact CB-CG2 4.31Å; F157-I224 HydrophobicContact CD1-CD1 3.15Å; F157-I224 HydrophobicContact CD1-CG1 3.5Å; F157-I224 VanDerWaalsContact CD1-CG1 3.5Å; F157-I224 HydrophobicContact CD2-CG1 4.42Å; F157-I224 HydrophobicContact CE1-CD1 3.72Å; F157-I224 HydrophobicContact CE1-CG1 3.68Å; F157-I224 HydrophobicContact CG-CD1 3.73Å; F157-I224 HydrophobicContact CG-CG1 3.88Å; F157-I224 HydrophobicContact CG-CG2 4.44Å; F157-I224 HydrophobicContact CZ-CG1 4.23Å; M161-I224 HydrophobicContact CE-CB 3.62Å; M161-I224 HydrophobicContact CE-CD1 3.37Å; M161-I224 HydrophobicContact CE-CG1 4.1Å; M161-I224 HydrophobicContact CE-CG2 3.28Å; T170-I224 HydrophobicContact CG2-CD1 3.76Å; I174-I224 HydrophobicContact CD1-CD1 4.21Å; F218-I224 HydrophobicContact CD1-CG1 4.41Å; F218-I224 HydrophobicContact CE1-CD1 3.68Å; F218-I224 HydrophobicContact CE1-CG1 4.03Å; S222-I224 PolarHBondContact O-N 3.12Å; I224-N226 PolarHBondContact O-N 3.44Å; I224-N226 VanDerWaalsContact O-N 3.09Å; I224-T227 PolarHBondContact O-N 2.9Å
225W61.8Low70.4Confident109 Ų10960.7 Ų60.741%0.41331%0.308SS..G310 helixtrans-60-19-178.3-54.7106.8000113.8A154 D158 Y223A154-W225 HydrophobicContact CB-CE3 4.11Å; A154-W225 HydrophobicContact CB-CH2 4.31Å; A154-W225 HydrophobicContact CB-CZ3 3.38Å; D158-W225 WeakPolarHBondContact OD1-CH2 3.37Å; D158-W225 WeakPolarHBondContact OD1-CZ2 3.28Å; Y223-W225 AromaticContact CD1-CD1 3.64Å; Y223-W225 PolarHBondContact O-N 2.82Å
226N65.8Low70.8Confident127 Ų12756.7 Ų56.768%0.67929%0.287SS*.G310 helixtrans-90.8-10.2177.4-66-18000113.2Y223 I224Y223-N226 WeakPolarHBondContact O-CB 3.4Å; Y223-N226 PolarHBondContact O-N 3.21Å; I224-N226 PolarHBondContact O-N 3.44Å; I224-N226 VanDerWaalsContact O-N 3.09Å
227T71.7Confident71.2Confident16 Ų1655.5 Ų55.510%0.09828%0.278CS..SBendtrans-88.9124.9-178.6-48.10000109.8I224 D231 L232I224-T227 PolarHBondContact O-N 2.9Å; T227-D231 HydrophobicContact CG2-CB 4.27Å; T227-L232 HydrophobicContact CG2-CD1 4.31Å; T227-L232 HydrophobicContact CG2-CD2 3.8Å; T227-L232 HydrophobicContact CG2-CG 3.65Å
228S73.8Confident71.5Confident36 Ų3655.5 Ų55.525%0.25228%0.279SS..  trans-74153.2177.782.10000111.6H230 D231 L232S228-H230 PolarHBondContact O-N 2.84Å; S228-H230 PolarHBondContact OG-N 3.08Å; S228-D231 WeakPolarHBondContact CB-OD2 3.47Å; S228-D231 PolarHBondContact O-N 2.82Å; S228-D231 PolarHBondContact OG-N 2.9Å; S228-D231 VanDerWaalsContact OG-N 3.09Å; S228-D231 PolarHBondContact OG-OD2 3.36Å; S228-L232 PolarHBondContact O-N 3.48Å; S228-L232 VanDerWaalsContact O-N 3.15Å
229W75.8Confident72.3Confident43 Ų4356 Ų5616%0.16328%0.281CS..Hα-helixtrans-51.5-41.2169-177.5-114.9000112.4L153 L156 F178 L181 L189 L193 L232 S233L153-W229 HydrophobicContact CD1-CB 3.35Å; L153-W229 HydrophobicContact CD1-CD2 3.25Å; L153-W229 HydrophobicContact CD1-CE3 2.94Å; L153-W229 HydrophobicContact CD1-CG 3.45Å; L153-W229 VanDerWaalsContact CD1-CG 3.45Å; L153-W229 HydrophobicContact CD1-CZ3 3.73Å; L153-W229 HydrophobicContact CG-CB 4.41Å; L153-W229 HydrophobicContact CG-CE3 4.42Å; L156-W229 HydrophobicContact CD2-CE3 3.99Å; L156-W229 HydrophobicContact CD2-CH2 3.88Å; L156-W229 HydrophobicContact CD2-CZ3 3.23Å; F178-W229 AromaticContact CD1-CH2 3.77Å; F178-W229 HydrophobicContact CD1-CH2 3.77Å; F178-W229 HydrophobicContact CD1-CZ3 4.01Å; F178-W229 AromaticContact CE1-CE3 3.92Å; F178-W229 HydrophobicContact CE1-CE3 3.92Å; F178-W229 AromaticContact CE1-CH2 3.3Å; F178-W229 HydrophobicContact CE1-CH2 3.3Å; F178-W229 HydrophobicContact CE1-CZ2 4.26Å; F178-W229 AromaticContact CE1-CZ3 3.1Å; F178-W229 HydrophobicContact CE1-CZ3 3.1Å; F178-W229 AromaticContact CZ-CE3 3.91Å; F178-W229 HydrophobicContact CZ-CE3 3.91Å; F178-W229 AromaticContact CZ-CH2 3.91Å; F178-W229 HydrophobicContact CZ-CH2 3.91Å; F178-W229 AromaticContact CZ-CZ3 3.56Å; F178-W229 HydrophobicContact CZ-CZ3 3.56Å; L181-W229 HydrophobicContact CD1-CH2 3.84Å; L181-W229 HydrophobicContact CD1-CZ2 4.49Å; L189-W229 HydrophobicContact CD2-CH2 4.32Å; L189-W229 HydrophobicContact CD2-CZ2 3.67Å; L193-W229 HydrophobicContact CD2-CZ2 4.24Å; W229-L232 PolarHBondContact O-N 3.28Å; W229-S233 VanDerWaalsContact O-CB 3.29Å; W229-S233 WeakPolarHBondContact O-CB 3.44Å; W229-S233 PolarHBondContact O-N 2.88Å; W229-S233 PolarHBondContact O-OG 3.45Å
230H77.7Confident73.7Confident103 Ų10353.3 Ų53.348%0.47726%0.263SS..Hα-helixtrans-61.1-50.9-176.9-176.465.8000109.9S228 L232 S233 I234S228-H230 PolarHBondContact O-N 2.84Å; S228-H230 PolarHBondContact OG-N 3.08Å; H230-L232 VanDerWaalsContact C-N 3.35Å; H230-L232 PolarHBondContact O-N 3.15Å; H230-S233 PolarHBondContact O-N 3.35Å; H230-S233 PolarHBondContact O-OG 3.4Å; H230-I234 VanDerWaalsContact O-CG1 3.31Å; H230-I234 WeakPolarHBondContact O-CG1 3.4Å; H230-I234 PolarHBondContact O-N 3.47Å
231D78.1Confident75.4Confident75 Ų7546.6 Ų46.640%0.40123%0.228SC..Hα-helixtrans-61.6-43-179.4-59.2-42.3000111.7T227 S228 I234 A235T227-D231 HydrophobicContact CG2-CB 4.27Å; S228-D231 WeakPolarHBondContact CB-OD2 3.47Å; S228-D231 PolarHBondContact O-N 2.82Å; S228-D231 PolarHBondContact OG-N 2.9Å; S228-D231 VanDerWaalsContact OG-N 3.09Å; S228-D231 PolarHBondContact OG-OD2 3.36Å; D231-I234 PolarHBondContact O-N 3.43Å; D231-A235 WeakPolarHBondContact O-CB 3.46Å; D231-A235 PolarHBondContact O-N 3.42Å
232L81.1Confident77Confident2 Ų242.2 Ų42.21%0.0120%0.204CC..Hα-helixtrans-61.6-46.9175-70.6171.7000112.2F157 F178 L217 T227 S228 W229 H230 I234 A235 W236F157-L232 HydrophobicContact CE1-CD1 3.29Å; F157-L232 HydrophobicContact CZ-CD1 3.28Å; F178-L232 HydrophobicContact CE2-CB 4.09Å; F178-L232 HydrophobicContact CZ-CB 3.81Å; L217-L232 HydrophobicContact CB-CD2 4.03Å; L217-L232 HydrophobicContact CD2-CD2 4.4Å; L217-L232 WeakPolarHBondContact O-CD2 3.4Å; T227-L232 HydrophobicContact CG2-CD1 4.31Å; T227-L232 HydrophobicContact CG2-CD2 3.8Å; T227-L232 HydrophobicContact CG2-CG 3.65Å; S228-L232 PolarHBondContact O-N 3.48Å; S228-L232 VanDerWaalsContact O-N 3.15Å; W229-L232 PolarHBondContact O-N 3.28Å; H230-L232 VanDerWaalsContact C-N 3.35Å; H230-L232 PolarHBondContact O-N 3.15Å; L232-I234 VanDerWaalsContact C-N 3.3Å; L232-I234 PolarHBondContact O-N 2.92Å; L232-A235 PolarHBondContact O-N 2.94Å; L232-W236 WeakPolarHBondContact O-CB 3.43Å; L232-W236 PolarHBondContact O-N 3.35Å
233S83.1Confident77.8Confident6 Ų642.3 Ų42.34%0.04220%0.203CC..Hα-helixtrans-63.7-37.1-17972.80000111.7W229 H230 A237W229-S233 VanDerWaalsContact O-CB 3.29Å; W229-S233 WeakPolarHBondContact O-CB 3.44Å; W229-S233 PolarHBondContact O-N 2.88Å; W229-S233 PolarHBondContact O-OG 3.45Å; H230-S233 PolarHBondContact O-N 3.35Å; H230-S233 PolarHBondContact O-OG 3.4Å; S233-A237 WeakPolarHBondContact O-CB 3.43Å; S233-A237 PolarHBondContact O-N 3.25Å
234I83.1Confident78.3Confident4 Ų443.4 Ų43.42%0.02121%0.206CC..Hα-helixtrans-72.3-42.3176.5-66.4-63.9000111.4A196 V203 H230 D231 L232 A237 S238A196-I234 HydrophobicContact CB-CD1 4.32Å; V203-I234 HydrophobicContact CB-CD1 4.44Å; V203-I234 HydrophobicContact CG1-CD1 4.35Å; H230-I234 VanDerWaalsContact O-CG1 3.31Å; H230-I234 WeakPolarHBondContact O-CG1 3.4Å; H230-I234 PolarHBondContact O-N 3.47Å; D231-I234 PolarHBondContact O-N 3.43Å; L232-I234 VanDerWaalsContact C-N 3.3Å; L232-I234 PolarHBondContact O-N 2.92Å; I234-A237 PolarHBondContact O-N 3.06Å; I234-S238 VanDerWaalsContact O-CB 3.26Å; I234-S238 WeakPolarHBondContact O-CB 3.46Å; I234-S238 PolarHBondContact O-N 3.44Å; I234-S238 PolarHBondContact O-OG 3.27Å
235A85.2Confident78.1Confident7 Ų746.3 Ų46.36%0.05822%0.222CC..Hα-helixtrans-64.3-47.4176.800000111.3L217 D231 L232 S238 H239L217-A235 HydrophobicContact CD2-CB 3.78Å; D231-A235 WeakPolarHBondContact O-CB 3.46Å; D231-A235 PolarHBondContact O-N 3.42Å; L232-A235 PolarHBondContact O-N 2.94Å; A235-S238 WeakPolarHBondContact O-CB 3.23Å; A235-S238 PolarHBondContact O-N 2.99Å; A235-H239 PolarHBondContact O-CD2 3.13Å; A235-H239 PolarHBondContact O-N 3.17Å; A235-H239 VanDerWaalsContact O-N 3.16Å
236W88.9Confident77.4Confident0 Ų049.2 Ų49.20%024%0.24CC..Hα-helixtrans-59.9-49173.416585.2000111.5F178 E179 L182 L193 L197 L217 L232 S238 H239 R240F178-W236 HydrophobicContact CB-CD2 4.09Å; F178-W236 HydrophobicContact CB-CG 4.35Å; F178-W236 HydrophobicContact CB-CZ2 4.17Å; F178-W236 HydrophobicContact CD2-CB 3.62Å; F178-W236 AromaticContact CD2-CD2 3.6Å; F178-W236 HydrophobicContact CD2-CD2 3.6Å; F178-W236 AromaticContact CD2-CE3 3.92Å; F178-W236 HydrophobicContact CD2-CE3 3.92Å; F178-W236 AromaticContact CD2-CG 3.47Å; F178-W236 HydrophobicContact CD2-CG 3.47Å; F178-W236 VanDerWaalsContact CD2-CG 3.47Å; F178-W236 HydrophobicContact CE2-CB 3.87Å; F178-W236 HydrophobicContact CE2-CG 4.23Å; F178-W236 HydrophobicContact CG-CD2 4.35Å; F178-W236 HydrophobicContact CG-CG 4.39Å; E179-W236 WeakPolarHBondContact OE1-CZ2 3.42Å; E179-W236 PolarHBondContact OE1-NE1 3.28Å; L182-W236 HydrophobicContact CB-CH2 4.46Å; L182-W236 HydrophobicContact CD1-CH2 4.3Å; L182-W236 HydrophobicContact CD2-CH2 3.9Å; L182-W236 HydrophobicContact CD2-CZ2 4.1Å; L182-W236 HydrophobicContact CG-CH2 4.44Å; L193-W236 HydrophobicContact CB-CH2 4.24Å; L193-W236 HydrophobicContact CB-CZ3 4.02Å; L193-W236 HydrophobicContact CD2-CE3 3.95Å; L193-W236 HydrophobicContact CD2-CH2 4.25Å; L193-W236 HydrophobicContact CD2-CZ3 3.64Å; L193-W236 HydrophobicContact CG-CZ3 4.35Å; L197-W236 HydrophobicContact CD1-CH2 4Å; L197-W236 HydrophobicContact CD1-CZ3 4.35Å; L197-W236 HydrophobicContact CD2-CH2 4.28Å; L197-W236 HydrophobicContact CD2-CZ3 4.21Å; L197-W236 HydrophobicContact CG-CH2 4.15Å; L197-W236 HydrophobicContact CG-CZ3 4.03Å; L217-W236 HydrophobicContact CD2-CB 4.17Å; L232-W236 WeakPolarHBondContact O-CB 3.43Å; L232-W236 PolarHBondContact O-N 3.35Å; W236-S238 VanDerWaalsContact C-N 3.3Å; W236-S238 PolarHBondContact O-N 3.25Å; W236-H239 PolarHBondContact O-N 3.11Å; W236-R240 HydrophobicContact CZ2-CG 4.17Å; W236-R240 VanDerWaalsContact O-CB 3.24Å; W236-R240 WeakPolarHBondContact O-CB 3.26Å; W236-R240 PolarHBondContact O-N 3.2Å
237A89.2Confident76.5Confident0 Ų048.1 Ų48.10%023%0.233CC..Hα-helixtrans-61.7-39.2-179.500000111.9A196 L197 V200 S233 I234 H239 R240 S241A196-A237 HydrophobicContact CB-CB 3.86Å; L197-A237 HydrophobicContact CD2-CB 4Å; L197-A237 HydrophobicContact CG-CB 4.35Å; V200-A237 HydrophobicContact CG2-CB 3.66Å; S233-A237 WeakPolarHBondContact O-CB 3.43Å; S233-A237 PolarHBondContact O-N 3.25Å; I234-A237 PolarHBondContact O-N 3.06Å; A237-H239 PolarHBondContact O-N 2.87Å; A237-R240 PolarHBondContact O-N 3.11Å; A237-S241 WeakPolarHBondContact O-CB 3.42Å; A237-S241 PolarHBondContact O-N 3.35Å; A237-S241 PolarHBondContact O-OG 3.44Å
238S86.6Confident75.1Confident4 Ų454 Ų543%0.02826%0.264CS..Hα-helixtrans-55.4-49.2173.4-68.10000112.3I234 A235 W236 L242 Y258I234-S238 VanDerWaalsContact O-CB 3.26Å; I234-S238 WeakPolarHBondContact O-CB 3.46Å; I234-S238 PolarHBondContact O-N 3.44Å; I234-S238 PolarHBondContact O-OG 3.27Å; A235-S238 WeakPolarHBondContact O-CB 3.23Å; A235-S238 PolarHBondContact O-N 2.99Å; W236-S238 VanDerWaalsContact C-N 3.3Å; W236-S238 PolarHBondContact O-N 3.25Å; S238-L242 PolarHBondContact O-N 3.13Å; S238-Y258 WeakPolarHBondContact O-CE1 3.38Å
239H88.3Confident73.8Confident32 Ų3262 Ų6215%0.14829%0.294CS..Hα-helixtrans-71.9-32.1177.9-76.3-68.2000112.9H206 C210 Y213 C216 A235 W236 A237H206-H239 AromaticContact CD2-NE2 3.71Å; H206-H239 AromaticContact CE1-NE2 3.93Å; H206-H239 AromaticContact NE2-CD2 3.53Å; H206-H239 AromaticContact NE2-CE1 3.87Å; H206-H239 AromaticContact NE2-NE2 2.89Å; H206-H239 PolarHBondContact NE2-NE2 3.26Å; C210-H239 PolarHBondContact O-CE1 3Å; C210-H239 VanDerWaalsContact O-CE1 3.29Å; Y213-H239 HydrophobicContact CD1-CB 4.49Å; Y213-H239 HydrophobicContact CD2-CB 3.69Å; Y213-H239 AromaticContact CD2-CD2 3.24Å; Y213-H239 WeakPolarHBondContact CD2-CD2 3.22Å; Y213-H239 AromaticContact CD2-CG 3.36Å; Y213-H239 AromaticContact CD2-NE2 3.88Å; Y213-H239 HydrophobicContact CE2-CB 3.7Å; Y213-H239 AromaticContact CE2-CD2 3.91Å; Y213-H239 AromaticContact CE2-CG 3.91Å; Y213-H239 HydrophobicContact CG-CB 4.08Å; Y213-H239 AromaticContact CG-CD2 3.9Å; Y213-H239 AromaticContact CG-CG 3.69Å; Y213-H239 AromaticContact CG-ND1 3.93Å; C216-H239 PolarHBondContact SG-NE2 2.88Å; A235-H239 PolarHBondContact O-CD2 3.13Å; A235-H239 PolarHBondContact O-N 3.17Å; A235-H239 VanDerWaalsContact O-N 3.16Å; W236-H239 PolarHBondContact O-N 3.11Å; A237-H239 PolarHBondContact O-N 2.87Å
240R88Confident72.5Confident48 Ų4864.9 Ų64.918%0.18132%0.32CS..Hα-helixtrans-71.8-35.5-178.5-16862.4171.4117-13.3113.2E179 L197 W236 A237 L261 D265E179-R240 VanDerWaalsContact OE1-CD 3.29Å; E179-R240 WeakPolarHBondContact OE1-CD 3.39Å; E179-R240 IonicContact OE1-CZ 2.79Å; E179-R240 IonicContact OE1-NE 2.86Å; E179-R240 PolarHBondContact OE1-NE 3.2Å; E179-R240 IonicContact OE1-NH2 3.57Å; E179-R240 IonicContact OE2-CZ 3.45Å; E179-R240 IonicContact OE2-NE 2.79Å; E179-R240 IonicContact OE2-NH2 2.98Å; E179-R240 PolarHBondContact OE2-NH2 2.95Å; L197-R240 HydrophobicContact CD2-CB 3.98Å; L197-R240 HydrophobicContact CD2-CG 3.98Å; W236-R240 HydrophobicContact CZ2-CG 4.17Å; W236-R240 VanDerWaalsContact O-CB 3.24Å; W236-R240 WeakPolarHBondContact O-CB 3.26Å; W236-R240 PolarHBondContact O-N 3.2Å; A237-R240 PolarHBondContact O-N 3.11Å; R240-L261 HydrophobicContact CG-CD2 3.73Å; R240-D265 VanDerWaalsContact CZ-CG 3.42Å; R240-D265 IonicContact CZ-OD1 2.68Å; R240-D265 IonicContact CZ-OD2 3.58Å; R240-D265 IonicContact NH1-OD1 3.38Å; R240-D265 PolarHBondContact NH1-OD1 2.91Å; R240-D265 IonicContact NH1-OD2 3.61Å; R240-D265 PolarHBondContact NH1-OD2 3.29Å; R240-D265 IonicContact NH2-OD1 3.48Å; R240-D265 PolarHBondContact NH2-OD1 2.98Å; R240-D265 IonicContact NH2-OD2 2.69Å
241S85.4Confident71.2Confident7 Ų768.4 Ų68.45%0.04934%0.342CS..SBendtrans-89.9-3.1179.9-66.20000113.7L197 A237 T243 Y258 G259L197-S241 WeakPolarHBondContact CD2-OG 3.45Å; A237-S241 WeakPolarHBondContact O-CB 3.42Å; A237-S241 PolarHBondContact O-N 3.35Å; A237-S241 PolarHBondContact O-OG 3.44Å; S241-T243 PolarHBondContact O-N 2.91Å; S241-T243 VanDerWaalsContact O-N 3.13Å; S241-Y258 WeakPolarHBondContact O-CA 3.49Å; S241-G259 PolarHBondContact O-N 3.46Å
242L82Confident69.8Low59 Ų5972.6 Ų72.631%0.30936%0.36SS..EExtended strand (participates in β ladder)trans-67.3111.7-177.4-168.469.6000110.8I208 S238 L256 Y258I208-L242 HydrophobicContact CG2-CD1 4.22Å; S238-L242 PolarHBondContact O-N 3.13Å; L242-L256 HydrophobicContact CD1-CB 3.97Å; L242-L256 HydrophobicContact CD1-CD1 4.35Å; L242-L256 HydrophobicContact CD1-CD2 4.05Å; L242-L256 HydrophobicContact CD1-CG 4.34Å; L242-L256 HydrophobicContact CD2-CD2 4.3Å; L242-L256 HydrophobicContact CG-CD2 4.31Å; L242-Y258 HydrophobicContact CD1-CE1 4.36Å
243T70.4Confident68.4Low45 Ų4581.1 Ų81.128%0.27640%0.399SS..EExtended strand (participates in β ladder)trans-98.4118.8171.946.10000109.9S241 N245 S257S241-T243 PolarHBondContact O-N 2.91Å; S241-T243 VanDerWaalsContact O-N 3.13Å; T243-N245 PolarHBondContact O-N 2.97Å; T243-S257 PolarHBondContact N-O 3.4Å; T243-S257 PolarHBondContact OG1-O 2.98Å; T243-S257 PolarHBondContact OG1-OG 3.36Å
244R67.4Low67Low179 Ų17985.7 Ų85.768%0.67542%0.42SS*.EExtended strand (participates in β ladder)trans-81.898.2170.8-170.1174.3-175.8174.50.9108.6Q246 H254R244-Q246 PolarHBondContact O-N 2.89Å; R244-Q246 VanDerWaalsContact O-N 3.17Å; R244-H254 PolarHBondContact NH2-NE2 3.33Å
245N56.6Low65.9Low70 Ų7089.8 Ų89.837%0.37445%0.445SS..  trans-65.8115.8169.8-69.4-23.2000108.3T243 L247 S257T243-N245 PolarHBondContact O-N 2.97Å; N245-L247 PolarHBondContact O-N 3.24Å; N245-S257 PolarHBondContact ND2-OG 3.28Å
246Q47.4Very low64.9Low171 Ų17192.6 Ų92.680%0.79946%0.458SS*.  trans-70.885.7161.1-68.5-173700106.5R244 D248R244-Q246 PolarHBondContact O-N 2.89Å; R244-Q246 VanDerWaalsContact O-N 3.17Å; Q246-D248 PolarHBondContact O-N 3.22Å
247L45.7Very low64.1Low103 Ų10394.2 Ų94.254%0.53947%0.47SS..  trans-70.1116.1161.1-90.9148.6000106.8N245 K249 V255N245-L247 PolarHBondContact O-N 3.24Å; L247-K249 PolarHBondContact O-N 3.37Å; L247-V255 HydrophobicContact CD1-CB 4.34Å; L247-V255 HydrophobicContact CD1-CG2 4.16Å
248D42.5Very low63.5Low139 Ų13996.7 Ų96.774%0.74348%0.48SS*.  trans-55.5126-179-86.8-46.8000112.1Q246 C250Q246-D248 PolarHBondContact O-N 3.22Å; D248-C250 VanDerWaalsContact C-N 3.31Å; D248-C250 PolarHBondContact O-N 3.02Å
249K47Very low63.1Low204 Ų20497.3 Ų97.389%0.88749%0.486SS*.SBendtrans45.49.1146.8-77.4-171.1177-179.70122.9L247L247-K249 PolarHBondContact O-N 3.37Å
250C47.8Very low62.8Low104 Ų104101.4 Ų101.470%0.70352%0.516SS*.SBendtrans-132.297.4171.9-72.70000111.6D248 Q252D248-C250 VanDerWaalsContact C-N 3.31Å; D248-C250 PolarHBondContact O-N 3.02Å; C250-Q252 PolarHBondContact O-N 3.05Å
251D51.1Low62.7Low177 Ų177100.4 Ų100.495%0.94751%0.514SS*.SBendtrans16.946.5157-66.2-26.8000119.3
252Q48.6Very low62.9Low164 Ų164102.7 Ų102.777%0.76653%0.53SS*.  trans-131.3129.2175.7-69.1-172.9-6.500109.1C250 H254C250-Q252 PolarHBondContact O-N 3.05Å; Q252-H254 PolarHBondContact O-N 3.36Å
253E51.4Low63.3Low180 Ų180106.4 Ų106.484%0.84155%0.549SS*.  trans-34.3128.3-179.1-63.3175.7154.800111.7V255E253-V255 PolarHBondContact O-N 3.07Å
254H54.7Low64.3Low103 Ų103109.4 Ų109.448%0.47756%0.561SS.*  trans-56.6102.2173.2-72.5-59.7000109.3R244 Q252 L256R244-H254 PolarHBondContact NH2-NE2 3.33Å; Q252-H254 PolarHBondContact O-N 3.36Å; H254-L256 PolarHBondContact O-N 3.37Å
255V60.2Low65.5Low89 Ų89102 Ų10254%0.53954%0.535SS..  trans-68.6102.4174.6-177.40000107.9L247 E253 S257L247-V255 HydrophobicContact CD1-CB 4.34Å; L247-V255 HydrophobicContact CD1-CG2 4.16Å; E253-V255 PolarHBondContact O-N 3.07Å; V255-S257 PolarHBondContact O-N 3.01Å
256L64.7Low67.2Low66 Ų66103.8 Ų103.835%0.34654%0.54SS..EExtended strand (participates in β ladder)trans-67.3128.8170.5-66177.4000108.4I208 L242 H254I208-L256 HydrophobicContact CG2-CB 3.95Å; I208-L256 HydrophobicContact CG2-CD1 4.21Å; I208-L256 WeakPolarHBondContact O-CD1 3.2Å; L242-L256 HydrophobicContact CD1-CB 3.97Å; L242-L256 HydrophobicContact CD1-CD1 4.35Å; L242-L256 HydrophobicContact CD1-CD2 4.05Å; L242-L256 HydrophobicContact CD1-CG 4.34Å; L242-L256 HydrophobicContact CD2-CD2 4.3Å; L242-L256 HydrophobicContact CG-CD2 4.31Å; H254-L256 PolarHBondContact O-N 3.37Å
257S70.9Confident69.4Low34 Ų3498.1 Ų98.124%0.23852%0.519CS..EExtended strand (participates in β ladder)trans-130.5157.117752.70000109.9T243 N245 V255T243-S257 PolarHBondContact N-O 3.4Å; T243-S257 PolarHBondContact OG1-O 2.98Å; T243-S257 PolarHBondContact OG1-OG 3.36Å; N245-S257 PolarHBondContact ND2-OG 3.28Å; V255-S257 PolarHBondContact O-N 3.01Å
258Y77.1Confident71.8Confident53 Ų5393.3 Ų93.321%0.20849%0.494CS..EExtended strand (participates in β ladder)trans-95127.8171.2-63.3-61.5000109.5V200 I208 S238 S241 L242V200-Y258 HydrophobicContact CB-CD1 4.34Å; V200-Y258 HydrophobicContact CB-CG 4.32Å; V200-Y258 HydrophobicContact CG1-CD1 3.38Å; V200-Y258 HydrophobicContact CG1-CD2 3.83Å; V200-Y258 HydrophobicContact CG1-CE1 3.23Å; V200-Y258 HydrophobicContact CG1-CE2 3.69Å; V200-Y258 HydrophobicContact CG1-CG 3.66Å; I208-Y258 HydrophobicContact CD1-CE2 3.93Å; I208-Y258 HydrophobicContact CG1-CE2 4.33Å; I208-Y258 WeakPolarHBondContact CG1-OH 3.39Å; I208-Y258 HydrophobicContact CG2-CE2 4.43Å; S238-Y258 WeakPolarHBondContact O-CE1 3.38Å; S241-Y258 WeakPolarHBondContact O-CA 3.49Å; L242-Y258 HydrophobicContact CD1-CE1 4.36Å
259G77.7Confident74.2Confident16 Ų1686.8 Ų86.817%0.16546%0.458CS..  trans-124.5171.7179.300000112.5S241S241-G259 PolarHBondContact O-N 3.46Å
260P82.4Confident76.4Confident119 Ų11980.3 Ų80.377%0.77344%0.436SS*.PPolyproline II helixtrans-62.6162.8168.330.3-35.4000110.6
261L86Confident78.5Confident26 Ų2678.7 Ų78.714%0.13642%0.42CS..PPolyproline II helixtrans-53.8146.7171.2-65.8176.7000110.9L182 W194 L197 R240 D265 I269L182-L261 HydrophobicContact CD2-CD1 4.29Å; W194-L261 HydrophobicContact CH2-CD1 3.9Å; W194-L261 HydrophobicContact CZ3-CD1 4.08Å; L197-L261 HydrophobicContact CD1-CD1 4.34Å; L197-L261 HydrophobicContact CD1-CD2 4.45Å; L197-L261 HydrophobicContact CD2-CD2 4.41Å; R240-L261 HydrophobicContact CG-CD2 3.73Å; L261-D265 HydrophobicContact CB-CB 4.25Å; L261-I269 HydrophobicContact CD1-CD1 3.56Å
262S88.6Confident80.5Confident55 Ų5570.2 Ų70.239%0.38538%0.375SS..PPolyproline II helixtrans-60.615317481.80000110.5M264 D265 F266S262-M264 PolarHBondContact O-N 2.89Å; S262-M264 PolarHBondContact OG-N 3Å; S262-D265 WeakPolarHBondContact CB-OD2 3.28Å; S262-D265 WeakPolarHBondContact O-CB 3.34Å; S262-D265 PolarHBondContact O-N 3.42Å; S262-D265 VanDerWaalsContact O-N 3.07Å; S262-D265 PolarHBondContact OG-N 3.02Å; S262-D265 VanDerWaalsContact OG-N 3.12Å; S262-D265 PolarHBondContact OG-OD2 3.46Å; S262-F266 PolarHBondContact O-N 3.24Å
263L91.1Very high82.5Confident137 Ų13765.9 Ų65.972%0.71735%0.351SS*.Hα-helixtrans-54.8-38.3174.8177.461.1000111.5F266 C267L263-F266 PolarHBondContact O-N 3.28Å; L263-C267 WeakPolarHBondContact O-CB 3.26Å; L263-C267 PolarHBondContact O-N 2.91Å; L263-C267 PolarHBondContact O-SG 3.4Å
264M92.1Very high84.4Confident108 Ų10863.6 Ų63.653%0.53234%0.34SS..Hα-helixtrans-61.9-44.6178.5174.9166.1-93.500111.3S262 C267 R268 F313S262-M264 PolarHBondContact O-N 2.89Å; S262-M264 PolarHBondContact OG-N 3Å; M264-C267 WeakPolarHBondContact O-CB 3.09Å; M264-C267 PolarHBondContact O-N 3.1Å; M264-R268 PolarHBondContact O-N 2.79Å; M264-F313 HydrophobicContact CB-CZ 4.41Å; M264-F313 HydrophobicContact CE-CE2 4.45Å; M264-F313 HydrophobicContact CG-CD2 4.23Å; M264-F313 HydrophobicContact CG-CE1 4.11Å; M264-F313 HydrophobicContact CG-CE2 3.25Å; M264-F313 HydrophobicContact CG-CZ 3.2Å; M264-F313 VanDerWaalsContact O-CZ 3.26Å; M264-F313 WeakPolarHBondContact O-CZ 3.4Å; M264-F313 HydrophobicContact SD-CD2 4.12Å; M264-F313 HydrophobicContact SD-CE2 3.6Å; M264-F313 VanDerWaalsContact SD-CE2 3.6Å; M264-F313 HydrophobicContact SD-CZ 4.16Å
265D91.9Very high86.1Confident24 Ų2459.3 Ų59.313%0.12832%0.322CS..Hα-helixtrans-66.5-44.4177.3-64.3-51.3000112.5R240 L261 S262 C267 R268 I269R240-D265 VanDerWaalsContact CZ-CG 3.42Å; R240-D265 IonicContact CZ-OD1 2.68Å; R240-D265 IonicContact CZ-OD2 3.58Å; R240-D265 IonicContact NH1-OD1 3.38Å; R240-D265 PolarHBondContact NH1-OD1 2.91Å; R240-D265 IonicContact NH1-OD2 3.61Å; R240-D265 PolarHBondContact NH1-OD2 3.29Å; R240-D265 IonicContact NH2-OD1 3.48Å; R240-D265 PolarHBondContact NH2-OD1 2.98Å; R240-D265 IonicContact NH2-OD2 2.69Å; L261-D265 HydrophobicContact CB-CB 4.25Å; S262-D265 WeakPolarHBondContact CB-OD2 3.28Å; S262-D265 WeakPolarHBondContact O-CB 3.34Å; S262-D265 PolarHBondContact O-N 3.42Å; S262-D265 VanDerWaalsContact O-N 3.07Å; S262-D265 PolarHBondContact OG-N 3.02Å; S262-D265 VanDerWaalsContact OG-N 3.12Å; S262-D265 PolarHBondContact OG-OD2 3.46Å; D265-C267 VanDerWaalsContact C-N 3.26Å; D265-C267 PolarHBondContact O-N 3.16Å; D265-R268 WeakPolarHBondContact O-CB 3.49Å; D265-R268 PolarHBondContact O-N 2.94Å; D265-R268 VanDerWaalsContact O-N 3.1Å; D265-I269 WeakPolarHBondContact O-CG1 3.23Å; D265-I269 PolarHBondContact O-N 3.46Å
266F91.7Very high87.4Confident107 Ų10756 Ų5647%0.46930%0.3SS..Hα-helixtrans-59.4-40.3175.9-171.9-94.4000111.6S262 L263 I269 T270S262-F266 PolarHBondContact O-N 3.24Å; L263-F266 PolarHBondContact O-N 3.28Å; F266-I269 PolarHBondContact O-N 3.16Å; F266-T270 WeakPolarHBondContact O-CB 3.42Å; F266-T270 PolarHBondContact O-N 3.03Å; F266-T270 PolarHBondContact O-OG1 3.48Å
267C94.6Very high88.4Confident53 Ų5356.9 Ų56.936%0.35831%0.309SS..Hα-helixtrans-62.4-44.3173-75.80000112.1L263 M264 D265 I269 T270 I271L263-C267 WeakPolarHBondContact O-CB 3.26Å; L263-C267 PolarHBondContact O-N 2.91Å; L263-C267 PolarHBondContact O-SG 3.4Å; M264-C267 WeakPolarHBondContact O-CB 3.09Å; M264-C267 PolarHBondContact O-N 3.1Å; D265-C267 VanDerWaalsContact C-N 3.26Å; D265-C267 PolarHBondContact O-N 3.16Å; C267-I269 PolarHBondContact O-N 3.11Å; C267-T270 PolarHBondContact O-N 2.97Å; C267-I271 WeakPolarHBondContact O-CB 3.27Å; C267-I271 WeakPolarHBondContact O-CD1 3.38Å; C267-I271 VanDerWaalsContact O-CG1 3.22Å; C267-I271 WeakPolarHBondContact O-CG1 3.3Å; C267-I271 PolarHBondContact O-N 2.97Å
268R95.2Very high89.1Confident2 Ų257.8 Ų57.81%0.00831%0.313CS..Hα-helixtrans-55.4-51.1176-164.9-176.1-74.9-174.7-13.1111.2M264 D265 T270 I271 R272 F313 L314 Y316 D318M264-R268 PolarHBondContact O-N 2.79Å; D265-R268 WeakPolarHBondContact O-CB 3.49Å; D265-R268 PolarHBondContact O-N 2.94Å; D265-R268 VanDerWaalsContact O-N 3.1Å; R268-T270 PolarHBondContact O-N 2.84Å; R268-I271 PolarHBondContact O-N 3.15Å; R268-R272 WeakPolarHBondContact O-CB 3.22Å; R268-R272 PolarHBondContact O-N 3.35Å; R268-F313 HydrophobicContact CB-CD1 4.48Å; R268-F313 HydrophobicContact CB-CE1 3.47Å; R268-F313 VanDerWaalsContact CB-CE1 3.47Å; R268-F313 HydrophobicContact CB-CZ 3.67Å; R268-F313 HydrophobicContact CG-CD1 4.38Å; R268-F313 HydrophobicContact CG-CE1 3.79Å; R268-F313 HydrophobicContact CG-CZ 4.12Å; R268-F313 VanDerWaalsContact CZ-CE2 3.44Å; R268-F313 PolarHBondContact NE-O 3.27Å; R268-F313 VanDerWaalsContact NE-O 3.13Å; R268-F313 PolarHBondContact NH2-O 2.84Å; R268-L314 HydrophobicContact CG-CD2 4.39Å; R268-Y316 VanDerWaalsContact CD-CZ 3.49Å; R268-Y316 HydrophobicContact CG-CE1 4.31Å; R268-Y316 HydrophobicContact CG-CE2 4.16Å; R268-D318 IonicContact CZ-OD1 3.33Å; R268-D318 IonicContact CZ-OD2 3.16Å; R268-D318 IonicContact NH1-OD1 2.78Å; R268-D318 PolarHBondContact NH1-OD1 3.48Å; R268-D318 IonicContact NH1-OD2 3.41Å; R268-D318 PolarHBondContact NH1-OD2 3.48Å; R268-D318 IonicContact NH2-OD1 3.81Å; R268-D318 PolarHBondContact NH2-OD1 3.36Å; R268-D318 IonicContact NH2-OD2 3.51Å; R268-D318 PolarHBondContact NH2-OD2 2.91Å
269I93.1Very high89.4Confident1 Ų155.3 Ų55.31%0.00530%0.303CS..Hα-helixtrans-58.5-49.9-179.9-70.4165.4000110.5L182 W194 L261 D265 F266 C267 R272 R273L182-I269 HydrophobicContact CD2-CD1 3.54Å; L182-I269 HydrophobicContact CD2-CG1 4.37Å; L182-I269 HydrophobicContact CG-CD1 4.09Å; W194-I269 HydrophobicContact CH2-CD1 4.48Å; W194-I269 HydrophobicContact CZ2-CG2 4.39Å; L261-I269 HydrophobicContact CD1-CD1 3.56Å; D265-I269 WeakPolarHBondContact O-CG1 3.23Å; D265-I269 PolarHBondContact O-N 3.46Å; F266-I269 PolarHBondContact O-N 3.16Å; C267-I269 PolarHBondContact O-N 3.11Å; I269-R272 PolarHBondContact O-N 3.25Å; I269-R273 WeakPolarHBondContact O-CG 3.33Å; I269-R273 PolarHBondContact O-N 3.28Å
270T92.9Very high89.6Confident69 Ų6957.4 Ų57.442%0.42331%0.31SS..Hα-helixtrans-64.8-46-176.7-58.70000111.7F266 C267 R268 R273 H274F266-T270 WeakPolarHBondContact O-CB 3.42Å; F266-T270 PolarHBondContact O-N 3.03Å; F266-T270 PolarHBondContact O-OG1 3.48Å; C267-T270 PolarHBondContact O-N 2.97Å; R268-T270 PolarHBondContact O-N 2.84Å; T270-R273 PolarHBondContact O-N 3.08Å; T270-H274 PolarHBondContact O-N 3.26Å
271I93.5Very high89.6Confident69 Ų6956.1 Ų56.135%0.35430%0.3SS..Hα-helixtrans-63.2-46.7178.6-68.6165.4000110.2C267 R268 R273 H274 V275 L314C267-I271 WeakPolarHBondContact O-CB 3.27Å; C267-I271 WeakPolarHBondContact O-CD1 3.38Å; C267-I271 VanDerWaalsContact O-CG1 3.22Å; C267-I271 WeakPolarHBondContact O-CG1 3.3Å; C267-I271 PolarHBondContact O-N 2.97Å; R268-I271 PolarHBondContact O-N 3.15Å; I271-R273 PolarHBondContact O-N 3.03Å; I271-H274 WeakPolarHBondContact O-CB 3.33Å; I271-H274 PolarHBondContact O-N 3.13Å; I271-V275 HydrophobicContact CG2-CG2 4.47Å; I271-V275 WeakPolarHBondContact O-CG2 3.1Å; I271-V275 PolarHBondContact O-N 2.79Å; I271-L314 HydrophobicContact CB-CD2 3.98Å; I271-L314 HydrophobicContact CD1-CD2 4.09Å; I271-L314 HydrophobicContact CG2-CD1 3.87Å; I271-L314 HydrophobicContact CG2-CD2 3.73Å; I271-L314 HydrophobicContact CG2-CG 4.47Å
272R92.9Very high89.4Confident0 Ų059.9 Ų59.90%031%0.313CS..Hα-helixtrans-58-49.4178.4176160.5166.3990.6110.8L128 L129 S183 R268 I269 H274 V275 L276 Y297 Y316L128-R272 PolarHBondContact O-NH2 2.82Å; L129-R272 PolarHBondContact O-NH1 3.29Å; S183-R272 WeakPolarHBondContact OG-CD 3.25Å; S183-R272 PolarHBondContact OG-NE 3.19Å; R268-R272 WeakPolarHBondContact O-CB 3.22Å; R268-R272 PolarHBondContact O-N 3.35Å; I269-R272 PolarHBondContact O-N 3.25Å; R272-H274 VanDerWaalsContact C-N 3.27Å; R272-H274 PolarHBondContact O-N 2.87Å; R272-V275 CarbonylContact O-C 3.54Å; R272-V275 WeakPolarHBondContact O-CA 3.29Å; R272-V275 WeakPolarHBondContact O-CB 3.4Å; R272-V275 PolarHBondContact O-N 2.9Å; R272-L276 HydrophobicContact CG-CD1 4.46Å; R272-L276 HydrophobicContact CG-CD2 4.12Å; R272-L276 HydrophobicContact CG-CG 4.13Å; R272-L276 VanDerWaalsContact O-CG 3.24Å; R272-L276 WeakPolarHBondContact O-CG 3.22Å; R272-L276 PolarHBondContact O-N 2.92Å; R272-Y297 HydrophobicContact CB-CE2 4.29Å; R272-Y297 HydrophobicContact CG-CE2 3.84Å; R272-Y316 VanDerWaalsContact CD-OH 3.27Å; R272-Y316 WeakPolarHBondContact CD-OH 3.46Å
273R89.9Confident88.8Confident72 Ų7258.3 Ų58.327%0.27230%0.298SS..Hα-helixtrans-55.1-40.5176.6-75.8178.1166179-6.1113.3L182 S183 G184 N190 I269 T270 I271 L276 T277L182-R273 PolarHBondContact O-NH2 2.94Å; S183-R273 VanDerWaalsContact O-CG 3.24Å; S183-R273 WeakPolarHBondContact O-CG 3.42Å; G184-R273 PolarHBondContact O-NE 3.38Å; N190-R273 PolarHBondContact ND2-NH2 3.44Å; N190-R273 VanDerWaalsContact ND2-NH2 3.17Å; N190-R273 PolarHBondContact OD1-NH2 3.4Å; I269-R273 WeakPolarHBondContact O-CG 3.33Å; I269-R273 PolarHBondContact O-N 3.28Å; T270-R273 PolarHBondContact O-N 3.08Å; I271-R273 PolarHBondContact O-N 3.03Å; R273-L276 PolarHBondContact O-N 2.93Å; R273-T277 PolarHBondContact O-N 3.14Å; R273-T277 PolarHBondContact O-OG1 2.77Å
274H90.7Very high88.2Confident132 Ų13257 Ų5761%0.61129%0.288SS*.Hα-helixtrans-63.4-45.9175.1-172.572.4000111.6T270 I271 R272 L276 T277 V278T270-H274 PolarHBondContact O-N 3.26Å; I271-H274 WeakPolarHBondContact O-CB 3.33Å; I271-H274 PolarHBondContact O-N 3.13Å; R272-H274 VanDerWaalsContact C-N 3.27Å; R272-H274 PolarHBondContact O-N 2.87Å; H274-L276 VanDerWaalsContact C-N 3.31Å; H274-L276 PolarHBondContact O-N 3.1Å; H274-T277 WeakPolarHBondContact O-CB 3.35Å; H274-T277 PolarHBondContact O-N 2.83Å; H274-V278 PolarHBondContact O-N 3.29Å; H274-V278 VanDerWaalsContact O-N 3.11Å
275V90.5Very high87.5Confident14 Ų1454.7 Ų54.79%0.08529%0.287CS..Hα-helixtrans-59.9-41.2174.3176.70000111.2I271 R272 T277 V278 I279 Y297 L300 I301I271-V275 HydrophobicContact CG2-CG2 4.47Å; I271-V275 WeakPolarHBondContact O-CG2 3.1Å; I271-V275 PolarHBondContact O-N 2.79Å; R272-V275 CarbonylContact O-C 3.54Å; R272-V275 WeakPolarHBondContact O-CA 3.29Å; R272-V275 WeakPolarHBondContact O-CB 3.4Å; R272-V275 PolarHBondContact O-N 2.9Å; V275-T277 VanDerWaalsContact C-N 3.3Å; V275-T277 PolarHBondContact O-N 3.42Å; V275-V278 WeakPolarHBondContact O-CB 3.26Å; V275-V278 PolarHBondContact O-N 3.08Å; V275-V278 VanDerWaalsContact O-N 3.17Å; V275-I279 HydrophobicContact CG1-CD1 4.07Å; V275-I279 HydrophobicContact CG1-CG1 4.44Å; V275-I279 WeakPolarHBondContact O-CG1 3.39Å; V275-I279 PolarHBondContact O-N 3.1Å; V275-Y297 HydrophobicContact CB-CD2 4.3Å; V275-Y297 HydrophobicContact CB-CE2 4.1Å; V275-Y297 HydrophobicContact CG1-CD2 3.63Å; V275-Y297 HydrophobicContact CG1-CE2 3.88Å; V275-L300 HydrophobicContact CG1-CB 4.19Å; V275-L300 HydrophobicContact CG1-CD1 3.8Å; V275-I301 HydrophobicContact CG2-CD1 4.16Å
276L87.3Confident86.6Confident18 Ų1856.8 Ų56.89%0.09429%0.293CS..Hα-helixtrans-60.8-40.5177.1-58.4-158.8000112P132 R272 R273 H274 V278 I279 D280 Y297P132-L276 HydrophobicContact CB-CD1 3.95Å; P132-L276 HydrophobicContact CB-CD2 3.28Å; P132-L276 HydrophobicContact CB-CG 4.2Å; P132-L276 HydrophobicContact CG-CD2 3.15Å; P132-L276 HydrophobicContact CG-CG 4.41Å; R272-L276 HydrophobicContact CG-CD1 4.46Å; R272-L276 HydrophobicContact CG-CD2 4.12Å; R272-L276 HydrophobicContact CG-CG 4.13Å; R272-L276 VanDerWaalsContact O-CG 3.24Å; R272-L276 WeakPolarHBondContact O-CG 3.22Å; R272-L276 PolarHBondContact O-N 2.92Å; R273-L276 PolarHBondContact O-N 2.93Å; H274-L276 VanDerWaalsContact C-N 3.31Å; H274-L276 PolarHBondContact O-N 3.1Å; L276-V278 VanDerWaalsContact C-N 3.33Å; L276-V278 PolarHBondContact O-N 2.92Å; L276-I279 HydrophobicContact CD2-CD1 4.38Å; L276-I279 WeakPolarHBondContact O-CB 3.19Å; L276-I279 PolarHBondContact O-N 2.63Å; L276-D280 PolarHBondContact O-N 3.13Å; L276-Y297 HydrophobicContact CD2-CD2 4.28Å
277T85.9Confident85.6Confident86 Ų8656.9 Ų56.953%0.52829%0.293SS..Hα-helixtrans-62.1-42.6176.4-54.50000110.8R273 H274 V275 D280 V281R273-T277 PolarHBondContact O-N 3.14Å; R273-T277 PolarHBondContact O-OG1 2.77Å; H274-T277 WeakPolarHBondContact O-CB 3.35Å; H274-T277 PolarHBondContact O-N 2.83Å; V275-T277 VanDerWaalsContact C-N 3.3Å; V275-T277 PolarHBondContact O-N 3.42Å; T277-D280 PolarHBondContact O-N 3.03Å; T277-V281 WeakPolarHBondContact O-CG2 3.3Å; T277-V281 PolarHBondContact O-N 3.36Å
278V85.6Confident84.3Confident52 Ų5262.8 Ų62.832%0.31531%0.313SS..Hα-helixtrans-63.4-42.3175.6174.40000111.6H274 V275 L276 R282H274-V278 PolarHBondContact O-N 3.29Å; H274-V278 VanDerWaalsContact O-N 3.11Å; V275-V278 WeakPolarHBondContact O-CB 3.26Å; V275-V278 PolarHBondContact O-N 3.08Å; V275-V278 VanDerWaalsContact O-N 3.17Å; L276-V278 VanDerWaalsContact C-N 3.33Å; L276-V278 PolarHBondContact O-N 2.92Å; V278-R282 WeakPolarHBondContact O-CG 3.41Å; V278-R282 PolarHBondContact O-N 3.48Å; V278-R282 VanDerWaalsContact O-N 3.17Å
279I84.4Confident82.9Confident2 Ų266 Ų661%0.0134%0.335CS..Hα-helixtrans-60-47.2175.6-68.6171.2000110.1P132 C133 V275 L276 R282 R283 C295 L300P132-I279 HydrophobicContact CG-CD1 3.74Å; C133-I279 WeakPolarHBondContact SG-CG2 3.41Å; V275-I279 HydrophobicContact CG1-CD1 4.07Å; V275-I279 HydrophobicContact CG1-CG1 4.44Å; V275-I279 WeakPolarHBondContact O-CG1 3.39Å; V275-I279 PolarHBondContact O-N 3.1Å; L276-I279 HydrophobicContact CD2-CD1 4.38Å; L276-I279 WeakPolarHBondContact O-CB 3.19Å; L276-I279 PolarHBondContact O-N 2.63Å; I279-R282 PolarHBondContact O-N 3.14Å; I279-R283 WeakPolarHBondContact O-CB 3.38Å; I279-R283 PolarHBondContact O-N 3.2Å; I279-C295 HydrophobicContact CB-CB 4.45Å; I279-C295 HydrophobicContact CG1-CB 4.16Å; I279-C295 HydrophobicContact CG2-CB 4.05Å; I279-C295 WeakPolarHBondContact CG2-O 3.08Å; I279-L300 HydrophobicContact CD1-CD1 3.91Å; I279-L300 HydrophobicContact CG1-CD1 3.38Å
280D80.9Confident81.3Confident59 Ų5974.6 Ų74.632%0.31638%0.376SS..Hα-helixtrans-64.3-43.4-177.4-169.957.2000112.2L276 T277 R282 R283 Q284L276-D280 PolarHBondContact O-N 3.13Å; T277-D280 PolarHBondContact O-N 3.03Å; D280-R282 VanDerWaalsContact C-N 3.31Å; D280-R282 PolarHBondContact O-N 3.07Å; D280-R283 WeakPolarHBondContact O-CB 3.4Å; D280-R283 PolarHBondContact O-N 3.06Å; D280-R283 VanDerWaalsContact O-N 3.15Å; D280-Q284 WeakPolarHBondContact O-CG 3.39Å; D280-Q284 PolarHBondContact O-N 3.07Å; D280-Q284 PolarHBondContact OD2-NE2 2.92Å
281V82.6Confident79.5Confident92 Ų9272.9 Ų72.956%0.55837%0.368SS*.Hα-helixtrans-56.8-44.9174.1170.20000111.3T277 Q284 A285T277-V281 WeakPolarHBondContact O-CG2 3.3Å; T277-V281 PolarHBondContact O-N 3.36Å; V281-Q284 PolarHBondContact O-N 3.5Å; V281-A285 PolarHBondContact O-N 2.86Å; V281-A285 VanDerWaalsContact O-N 3.16Å
282R81.2Confident77.7Confident106 Ų10674.1 Ų74.140%0.438%0.379SS..Hα-helixtrans-64.4-42.6177.1-70.7179.2-177.9-168.22111.6V278 I279 D280 A285 Y286 C295V278-R282 WeakPolarHBondContact O-CG 3.41Å; V278-R282 PolarHBondContact O-N 3.48Å; V278-R282 VanDerWaalsContact O-N 3.17Å; I279-R282 PolarHBondContact O-N 3.14Å; D280-R282 VanDerWaalsContact C-N 3.31Å; D280-R282 PolarHBondContact O-N 3.07Å; R282-A285 WeakPolarHBondContact O-CB 3.35Å; R282-A285 PolarHBondContact O-N 3.48Å; R282-Y286 HydrophobicContact CB-CE2 4.27Å; R282-Y286 WeakPolarHBondContact O-CD2 3.21Å; R282-Y286 PolarHBondContact O-N 2.78Å; R282-C295 WeakPolarHBondContact CD-SG 3.16Å
283R76.7Confident76.1Confident21 Ų2178.3 Ų78.38%0.07940%0.397CS..Hα-helixtrans-60.6-45.9177.5-177180-177.6-134-2112C133 E136 I279 D280 A285 Y286 K287C133-R283 VanDerWaalsContact SG-CD 3.53Å; E136-R283 VanDerWaalsContact CD-NH1 3.27Å; E136-R283 IonicContact OE1-CZ 3.54Å; E136-R283 IonicContact OE1-NH1 3.62Å; E136-R283 PolarHBondContact OE1-NH1 2.79Å; E136-R283 IonicContact OE1-NH2 3.57Å; E136-R283 PolarHBondContact OE1-NH2 3.36Å; E136-R283 VanDerWaalsContact OE1-NH2 3.16Å; E136-R283 IonicContact OE2-CZ 2.73Å; E136-R283 IonicContact OE2-NH1 2.99Å; E136-R283 IonicContact OE2-NH2 3.72Å; E136-R283 PolarHBondContact OE2-NH2 2.96Å; I279-R283 WeakPolarHBondContact O-CB 3.38Å; I279-R283 PolarHBondContact O-N 3.2Å; D280-R283 WeakPolarHBondContact O-CB 3.4Å; D280-R283 PolarHBondContact O-N 3.06Å; D280-R283 VanDerWaalsContact O-N 3.15Å; R283-A285 VanDerWaalsContact C-N 3.28Å; R283-A285 PolarHBondContact O-N 3.22Å; R283-Y286 PolarHBondContact O-N 2.91Å; R283-Y286 VanDerWaalsContact O-N 3.14Å; R283-K287 PolarHBondContact O-N 2.83Å
284Q77.9Confident74.9Confident109 Ų10976.6 Ų76.651%0.50939%0.391SS..Hα-helixtrans-61.5-37.1177.1-68.9-178.221.400111.9D280 V281D280-Q284 WeakPolarHBondContact O-CG 3.39Å; D280-Q284 PolarHBondContact O-N 3.07Å; D280-Q284 PolarHBondContact OD2-NE2 2.92Å; V281-Q284 PolarHBondContact O-N 3.5Å
285A77.9Confident74.2Confident60 Ų6070.5 Ų70.550%0.49636%0.363SS..Hα-helixtrans-63.1-41.2173.500000112V281 R282 R283 K288V281-A285 PolarHBondContact O-N 2.86Å; V281-A285 VanDerWaalsContact O-N 3.16Å; R282-A285 WeakPolarHBondContact O-CB 3.35Å; R282-A285 PolarHBondContact O-N 3.48Å; R283-A285 VanDerWaalsContact C-N 3.28Å; R283-A285 PolarHBondContact O-N 3.22Å; A285-K288 PolarHBondContact O-N 3.12Å
286Y73.1Confident73.9Confident68 Ų6869.9 Ų69.927%0.26736%0.359SS..Hα-helixtrans-73.3-33.4178.3-69.9-57.3000114.5P115 R282 R283 K288 S289 K293P115-Y286 HydrophobicContact CB-CE2 4.36Å; P115-Y286 HydrophobicContact CG-CE1 4.18Å; P115-Y286 HydrophobicContact CG-CE2 4.28Å; R282-Y286 HydrophobicContact CB-CE2 4.27Å; R282-Y286 WeakPolarHBondContact O-CD2 3.21Å; R282-Y286 PolarHBondContact O-N 2.78Å; R283-Y286 PolarHBondContact O-N 2.91Å; R283-Y286 VanDerWaalsContact O-N 3.14Å; Y286-K288 PolarHBondContact O-N 3.09Å; Y286-K288 VanDerWaalsContact O-N 3.17Å; Y286-S289 PolarHBondContact O-N 3.38Å; Y286-S289 PolarHBondContact O-OG 2.8Å; Y286-K293 HydrophobicContact CD1-CB 3.73Å; Y286-K293 HydrophobicContact CD1-CD 3.83Å; Y286-K293 HydrophobicContact CD1-CG 4.39Å; Y286-K293 HydrophobicContact CD2-CB 3.77Å; Y286-K293 WeakPolarHBondContact CD2-O 3.46Å; Y286-K293 HydrophobicContact CE1-CB 4.19Å; Y286-K293 HydrophobicContact CE1-CD 3.92Å; Y286-K293 HydrophobicContact CE2-CB 4.23Å; Y286-K293 HydrophobicContact CG-CB 3.51Å
287K71.5Confident74Confident109 Ų10969 Ų6947%0.47436%0.355SS..Hα-helixtrans-55.6-33.1173.4-78.9-171.9179.2-176.70111.4E136 R283 S289E136-K287 IonicContact OE1-NZ 2.7Å; E136-K287 PolarHBondContact OE1-NZ 3.45Å; E136-K287 IonicContact OE2-NZ 3.71Å; R283-K287 PolarHBondContact O-N 2.83Å; K287-S289 VanDerWaalsContact C-N 3.31Å; K287-S289 PolarHBondContact O-N 3.21Å
288K67.1Low74.3Confident178 Ų17864.9 Ų64.977%0.77433%0.33SS*.THydrogen-bonded Turntrans-70.7-23.6175.6-63.8178.5-179.6-1800113.4A285 Y286A285-K288 PolarHBondContact O-N 3.12Å; Y286-K288 PolarHBondContact O-N 3.09Å; Y286-K288 VanDerWaalsContact O-N 3.17Å
289S66.4Low74.5Confident68 Ų6862.5 Ų62.548%0.47632%0.315SS..THydrogen-bonded Turntrans-95.79.5-176.770.80000114.5Y286 K287 A291Y286-S289 PolarHBondContact O-N 3.38Å; Y286-S289 PolarHBondContact O-OG 2.8Å; K287-S289 VanDerWaalsContact C-N 3.31Å; K287-S289 PolarHBondContact O-N 3.21Å; S289-A291 PolarHBondContact O-N 2.99Å
290H58.1Low74.8Confident183 Ų18363.5 Ų63.585%0.84732%0.32SS*.THydrogen-bonded Turntrans56.114.4-177.9-62.880.8000115.8
291A55.5Low75.4Confident33 Ų3360.7 Ų60.727%0.27331%0.305SS..  trans-110.9108.2172.100000106.7S289 K293S289-A291 PolarHBondContact O-N 2.99Å; A291-K293 VanDerWaalsContact C-N 3.28Å; A291-K293 HydrophobicContact CB-CD 3.64Å; A291-K293 HydrophobicContact CB-CG 3.91Å; A291-K293 WeakPolarHBondContact O-CB 3.23Å; A291-K293 PolarHBondContact O-N 3.26Å
292V54.6Low75.8Confident94 Ų9459.6 Ų59.657%0.5729%0.293SS*.  trans-72.192.1177.8-163.70000107.8Y294V292-Y294 HydrophobicContact CB-CE2 4.21Å; V292-Y294 HydrophobicContact CG1-CD2 4.17Å; V292-Y294 HydrophobicContact CG1-CE2 3.24Å; V292-Y294 WeakPolarHBondContact CG1-OH 3.24Å
293K59.6Low76.3Confident88 Ų8861 Ų6138%0.38330%0.302SS..EExtended strand (participates in β ladder)trans-115.7114.6-167.5-91.3179.4163.2-162.90108.1P115 Y286 A291P115-K293 HydrophobicContact CB-CB 3.24Å; P115-K293 HydrophobicContact CB-CD 4.07Å; P115-K293 HydrophobicContact CB-CG 3.53Å; P115-K293 HydrophobicContact CG-CB 3.46Å; P115-K293 VanDerWaalsContact CG-CB 3.46Å; P115-K293 HydrophobicContact CG-CD 3.27Å; P115-K293 HydrophobicContact CG-CG 3.33Å; Y286-K293 HydrophobicContact CD1-CB 3.73Å; Y286-K293 HydrophobicContact CD1-CD 3.83Å; Y286-K293 HydrophobicContact CD1-CG 4.39Å; Y286-K293 HydrophobicContact CD2-CB 3.77Å; Y286-K293 WeakPolarHBondContact CD2-O 3.46Å; Y286-K293 HydrophobicContact CE1-CB 4.19Å; Y286-K293 HydrophobicContact CE1-CD 3.92Å; Y286-K293 HydrophobicContact CE2-CB 4.23Å; Y286-K293 HydrophobicContact CG-CB 3.51Å; A291-K293 VanDerWaalsContact C-N 3.28Å; A291-K293 HydrophobicContact CB-CD 3.64Å; A291-K293 HydrophobicContact CB-CG 3.91Å; A291-K293 WeakPolarHBondContact O-CB 3.23Å; A291-K293 PolarHBondContact O-N 3.26Å
294Y66.1Low77Confident36 Ų3662.8 Ų62.814%0.14131%0.313CS..EExtended strand (participates in β ladder)trans-97.4138.1-174.6-66.8-97.6000111.4S114 P115 Y118 V292S114-Y294 PolarHBondContact OG-O 3.24Å; S114-Y294 VanDerWaalsContact OG-O 3.08Å; P115-Y294 VanDerWaalsContact CA-O 3.29Å; P115-Y294 WeakPolarHBondContact CA-O 3.38Å; P115-Y294 WeakPolarHBondContact CB-O 3.41Å; Y118-Y294 VanDerWaalsContact CB-CD2 3.41Å; Y118-Y294 HydrophobicContact CD1-CE2 4.13Å; Y118-Y294 HydrophobicContact CG-CD2 4.25Å; Y118-Y294 AromaticContact CG-CE2 3.79Å; Y118-Y294 HydrophobicContact CG-CE2 3.79Å; V292-Y294 HydrophobicContact CB-CE2 4.21Å; V292-Y294 HydrophobicContact CG1-CD2 4.17Å; V292-Y294 HydrophobicContact CG1-CE2 3.24Å; V292-Y294 WeakPolarHBondContact CG1-OH 3.24Å
295C75.5Confident77.8Confident5 Ų563.9 Ų63.93%0.03433%0.33CS..PPolyproline II helixtrans-96.3121165.2-62.50000108.1S114 I279 R282S114-C295 VanDerWaalsContact OG-CA 3.29Å; S114-C295 WeakPolarHBondContact OG-CA 3.26Å; S114-C295 PolarHBondContact OG-SG 3.15Å; I279-C295 HydrophobicContact CB-CB 4.45Å; I279-C295 HydrophobicContact CG1-CB 4.16Å; I279-C295 HydrophobicContact CG2-CB 4.05Å; I279-C295 WeakPolarHBondContact CG2-O 3.08Å; R282-C295 WeakPolarHBondContact CD-SG 3.16Å
296N83.2Confident78.6Confident0 Ų063 Ų630%032%0.316CS..PPolyproline II helixtrans-89.1146.4173.870.867.9000111.4A109 Y116 I130 A298 S299A109-N296 PolarHBondContact O-ND2 3.28Å; A109-N296 PolarHBondContact O-OD1 2.82Å; A109-N296 VanDerWaalsContact O-OD1 3.07Å; Y116-N296 HydrophobicContact CE1-CB 3.81Å; Y116-N296 WeakPolarHBondContact CE1-ND2 3.47Å; I130-N296 HydrophobicContact CG2-CB 3.62Å; I130-N296 CarbonylContact O-C 3.56Å; I130-N296 WeakPolarHBondContact O-CA 3.25Å; I130-N296 VanDerWaalsContact O-CB 3.29Å; I130-N296 WeakPolarHBondContact O-CB 3.27Å; N296-A298 PolarHBondContact OD1-N 2.89Å; N296-S299 PolarHBondContact O-OG 2.97Å; N296-S299 WeakPolarHBondContact OD1-CB 3.43Å; N296-S299 PolarHBondContact OD1-N 3.18Å; N296-S299 PolarHBondContact OD1-OG 3.09Å; N296-S299 VanDerWaalsContact OD1-OG 3.05Å
297Y90.2Very high79.7Confident0 Ų063.9 Ų63.90%033%0.33CS..Hα-helixtrans-61.1-43.1179.8178.1-100.4000112.3Y106 L129 I130 R272 V275 L276 S299 L300 I301 L314Y106-Y297 HydrophobicContact CE2-CD1 4.44Å; L129-Y297 HydrophobicContact CD1-CD1 4.09Å; L129-Y297 HydrophobicContact CD1-CE1 4.1Å; L129-Y297 WeakPolarHBondContact O-CB 3.35Å; L129-Y297 WeakPolarHBondContact O-CD1 3.46Å; I130-Y297 PolarHBondContact O-N 3.26Å; R272-Y297 HydrophobicContact CB-CE2 4.29Å; R272-Y297 HydrophobicContact CG-CE2 3.84Å; V275-Y297 HydrophobicContact CB-CD2 4.3Å; V275-Y297 HydrophobicContact CB-CE2 4.1Å; V275-Y297 HydrophobicContact CG1-CD2 3.63Å; V275-Y297 HydrophobicContact CG1-CE2 3.88Å; L276-Y297 HydrophobicContact CD2-CD2 4.28Å; Y297-S299 PolarHBondContact O-N 3.18Å; Y297-L300 PolarHBondContact O-N 3.29Å; Y297-L300 VanDerWaalsContact O-N 3.16Å; Y297-I301 HydrophobicContact CD1-CG1 3.93Å; Y297-I301 HydrophobicContact CD2-CG1 4.24Å; Y297-I301 HydrophobicContact CE1-CD1 4.27Å; Y297-I301 HydrophobicContact CE1-CG1 3.52Å; Y297-I301 HydrophobicContact CE2-CD1 3.87Å; Y297-I301 HydrophobicContact CE2-CG1 3.84Å; Y297-I301 HydrophobicContact CG-CG1 4.26Å; Y297-I301 VanDerWaalsContact CZ-CG1 3.46Å; Y297-I301 WeakPolarHBondContact O-CG1 3.32Å; Y297-I301 PolarHBondContact O-N 3.45Å; Y297-L314 VanDerWaalsContact CE1-O 3.27Å; Y297-L314 WeakPolarHBondContact CE1-O 3.29Å; Y297-L314 PolarHBondContact OH-O 3.5Å
298A92.1Very high80.7Confident0 Ų062.1 Ų62.10%034%0.336CS..Hα-helixtrans-60.6-42.9-175.300000112.9Y106 A109 I130 N296 L300 I301 K302Y106-A298 HydrophobicContact CD1-CB 4.28Å; Y106-A298 HydrophobicContact CD2-CB 3.94Å; Y106-A298 HydrophobicContact CE1-CB 3.97Å; Y106-A298 HydrophobicContact CE2-CB 3.58Å; Y106-A298 HydrophobicContact CG-CB 4.27Å; A109-A298 HydrophobicContact CB-CB 4Å; I130-A298 HydrophobicContact CD1-CB 3.78Å; N296-A298 PolarHBondContact OD1-N 2.89Å; A298-L300 VanDerWaalsContact C-N 3.34Å; A298-L300 PolarHBondContact O-N 3.16Å; A298-I301 PolarHBondContact O-N 3.47Å; A298-K302 WeakPolarHBondContact O-CB 3.5Å; A298-K302 PolarHBondContact O-N 2.95Å
299S90.1Very high82Confident2 Ų262.2 Ų62.21%0.01434%0.336CS..Hα-helixtrans-63.8-38177.370.30000112N296 Y297 K303N296-S299 PolarHBondContact O-OG 2.97Å; N296-S299 WeakPolarHBondContact OD1-CB 3.43Å; N296-S299 PolarHBondContact OD1-N 3.18Å; N296-S299 PolarHBondContact OD1-OG 3.09Å; N296-S299 VanDerWaalsContact OD1-OG 3.05Å; Y297-S299 PolarHBondContact O-N 3.18Å; S299-K303 VanDerWaalsContact O-CG 3.28Å; S299-K303 WeakPolarHBondContact O-CG 3.48Å; S299-K303 PolarHBondContact O-N 3.23Å
300L90.4Very high83.3Confident23 Ų2363 Ų6312%0.1233%0.334CS..Hα-helixtrans-68.8-47176.7-67-179.4000111.2V275 I279 Y297 A298 K302 K303 L304V275-L300 HydrophobicContact CG1-CB 4.19Å; V275-L300 HydrophobicContact CG1-CD1 3.8Å; I279-L300 HydrophobicContact CD1-CD1 3.91Å; I279-L300 HydrophobicContact CG1-CD1 3.38Å; Y297-L300 PolarHBondContact O-N 3.29Å; Y297-L300 VanDerWaalsContact O-N 3.16Å; A298-L300 VanDerWaalsContact C-N 3.34Å; A298-L300 PolarHBondContact O-N 3.16Å; L300-K302 VanDerWaalsContact C-N 3.29Å; L300-K302 PolarHBondContact O-N 2.74Å; L300-K303 PolarHBondContact O-N 3.39Å; L300-K303 VanDerWaalsContact O-N 3.11Å; L300-L304 PolarHBondContact O-N 3.45Å
301I93.2Very high85.1Confident0 Ų058.3 Ų58.30%031%0.31CS..Hα-helixtrans-60.8-39.3177.3-66.1-53.6000111.5V275 Y297 A298 K303 L304 R311 L314V275-I301 HydrophobicContact CG2-CD1 4.16Å; Y297-I301 HydrophobicContact CD1-CG1 3.93Å; Y297-I301 HydrophobicContact CD2-CG1 4.24Å; Y297-I301 HydrophobicContact CE1-CD1 4.27Å; Y297-I301 HydrophobicContact CE1-CG1 3.52Å; Y297-I301 HydrophobicContact CE2-CD1 3.87Å; Y297-I301 HydrophobicContact CE2-CG1 3.84Å; Y297-I301 HydrophobicContact CG-CG1 4.26Å; Y297-I301 VanDerWaalsContact CZ-CG1 3.46Å; Y297-I301 WeakPolarHBondContact O-CG1 3.32Å; Y297-I301 PolarHBondContact O-N 3.45Å; A298-I301 PolarHBondContact O-N 3.47Å; I301-K303 VanDerWaalsContact C-N 3.29Å; I301-K303 PolarHBondContact O-N 2.98Å; I301-L304 HydrophobicContact CD1-CD1 3.76Å; I301-L304 PolarHBondContact O-N 3.19Å; I301-R311 HydrophobicContact CG2-CG 3.71Å; I301-L314 HydrophobicContact CD1-CB 4.11Å; I301-L314 HydrophobicContact CD1-CD1 4.22Å; I301-L314 HydrophobicContact CG2-CB 4.12Å
302K91.6Very high86.9Confident68 Ų6858.7 Ų58.730%0.29631%0.312SS..Hα-helixtrans-60.7-38.8175.1-172.6-174.7-178.7-175.30112.4S110 H111 A298 L300 L304S110-K302 WeakPolarHBondContact O-CD 3.18Å; H111-K302 PolarHBondContact CD2-NZ 3.16Å; H111-K302 PolarHBondContact CE1-NZ 3.12Å; H111-K302 VanDerWaalsContact CG-NZ 3.27Å; H111-K302 PolarHBondContact ND1-NZ 2.89Å; H111-K302 PolarHBondContact NE2-NZ 2.92Å; A298-K302 WeakPolarHBondContact O-CB 3.5Å; A298-K302 PolarHBondContact O-N 2.95Å; L300-K302 VanDerWaalsContact C-N 3.29Å; L300-K302 PolarHBondContact O-N 2.74Å; K302-L304 VanDerWaalsContact C-N 3.31Å; K302-L304 PolarHBondContact O-N 2.83Å
303K90.9Very high88.9Confident135 Ų13555.7 Ų55.759%0.58729%0.292SS*.Hα-helixtrans-76.1-13.6-178.4-72.1172.1-177.4179.50113.7S299 L300 I301S299-K303 VanDerWaalsContact O-CG 3.28Å; S299-K303 WeakPolarHBondContact O-CG 3.48Å; S299-K303 PolarHBondContact O-N 3.23Å; L300-K303 PolarHBondContact O-N 3.39Å; L300-K303 VanDerWaalsContact O-N 3.11Å; I301-K303 VanDerWaalsContact C-N 3.29Å; I301-K303 PolarHBondContact O-N 2.98Å
304L92.1Very high90.6Very high59 Ų5951.9 Ų51.931%0.30928%0.275SS..SBendtrans-65.6134.8176.8-66.8177.9000111L300 I301 K302 I306 L314L300-L304 PolarHBondContact O-N 3.45Å; I301-L304 HydrophobicContact CD1-CD1 3.76Å; I301-L304 PolarHBondContact O-N 3.19Å; K302-L304 VanDerWaalsContact C-N 3.31Å; K302-L304 PolarHBondContact O-N 2.83Å; L304-I306 HydrophobicContact CB-CD1 3.93Å; L304-I306 HydrophobicContact CB-CG1 3.84Å; L304-I306 HydrophobicContact CB-CG2 4.23Å; L304-I306 HydrophobicContact CD1-CD1 4.05Å; L304-I306 PolarHBondContact O-N 2.97Å; L304-L314 HydrophobicContact CD1-CD1 4.22Å
305P94.9Very high92Very high133 Ų13350.4 Ų50.486%0.86427%0.27SS*.  trans-78.158.1177.734.6-36.9000111
306I94.2Very high92.9Very high42 Ų4250.1 Ų50.122%0.21527%0.269CS..  trans-118.9152.6-17761.1177.4000111.4L304 L310 R311 L314L304-I306 HydrophobicContact CB-CD1 3.93Å; L304-I306 HydrophobicContact CB-CG1 3.84Å; L304-I306 HydrophobicContact CB-CG2 4.23Å; L304-I306 HydrophobicContact CD1-CD1 4.05Å; L304-I306 PolarHBondContact O-N 2.97Å; I306-L310 HydrophobicContact CB-CB 4.39Å; I306-L310 HydrophobicContact CD1-CB 4.26Å; I306-R311 HydrophobicContact CD1-CB 4.22Å; I306-R311 HydrophobicContact CG1-CB 4.29Å; I306-R311 PolarHBondContact O-NH2 3.33Å; I306-L314 HydrophobicContact CD1-CD1 3.64Å
307P95.8Very high93.4Very high86 Ų8652.4 Ų52.456%0.55828%0.284SS*.  trans-55.1149.1173.5-26.434.1000113.3K309 L310 R311P307-K309 PolarHBondContact O-N 3.26Å; P307-K309 VanDerWaalsContact O-N 3.15Å; P307-L310 PolarHBondContact O-N 3.39Å; P307-R311 PolarHBondContact O-N 3.1Å
308A93.1Very high93.4Very high72 Ų7257 Ų5760%0.59531%0.308SS*.Hα-helixtrans-54.9-36.5-179.300000113.3R311 A312A308-R311 WeakPolarHBondContact O-CB 3.48Å; A308-R311 PolarHBondContact O-N 3.37Å; A308-A312 WeakPolarHBondContact O-CB 3.49Å; A308-A312 PolarHBondContact O-N 2.99Å
309K93.6Very high93.4Very high180 Ų18058.8 Ų58.878%0.78332%0.318SS*.Hα-helixtrans-62.8-43.9176.1-172.3177.8-179.11800112.4P307 R311 A312 F313P307-K309 PolarHBondContact O-N 3.26Å; P307-K309 VanDerWaalsContact O-N 3.15Å; K309-R311 VanDerWaalsContact C-N 3.35Å; K309-A312 PolarHBondContact O-N 3.22Å; K309-F313 WeakPolarHBondContact O-CB 3.26Å; K309-F313 PolarHBondContact O-N 2.66Å
310L94.5Very high93.4Very high83 Ų8361.4 Ų61.444%0.43533%0.327SS..Hα-helixtrans-70.1-35.1175.9-69.4-174.7000111.4I306 P307 F313 L314I306-L310 HydrophobicContact CB-CB 4.39Å; I306-L310 HydrophobicContact CD1-CB 4.26Å; P307-L310 PolarHBondContact O-N 3.39Å; L310-F313 WeakPolarHBondContact O-CB 3.34Å; L310-F313 PolarHBondContact O-N 3.37Å; L310-L314 WeakPolarHBondContact O-CG 3.31Å; L310-L314 PolarHBondContact O-N 3.13Å
311R95.5Very high93Very high86 Ų8661.1 Ų61.133%0.32533%0.327SS..Hα-helixtrans-60.3-50.5173-166.4-175.8-65.5142.54.8111.2I301 I306 P307 A308 K309 F313 L314 S315I301-R311 HydrophobicContact CG2-CG 3.71Å; I306-R311 HydrophobicContact CD1-CB 4.22Å; I306-R311 HydrophobicContact CG1-CB 4.29Å; I306-R311 PolarHBondContact O-NH2 3.33Å; P307-R311 PolarHBondContact O-N 3.1Å; A308-R311 WeakPolarHBondContact O-CB 3.48Å; A308-R311 PolarHBondContact O-N 3.37Å; K309-R311 VanDerWaalsContact C-N 3.35Å; R311-F313 VanDerWaalsContact C-N 3.29Å; R311-F313 PolarHBondContact O-N 3.42Å; R311-L314 PolarHBondContact O-N 3.42Å; R311-S315 WeakPolarHBondContact O-CB 3.31Å; R311-S315 PolarHBondContact O-N 3.38Å; R311-S315 PolarHBondContact O-OG 2.92Å
312A94.5Very high92.3Very high40 Ų4066.7 Ų66.733%0.33136%0.357SS..Hα-helixtrans-58.8-41176.900000112.2A308 K309 S315 Y316 C317A308-A312 WeakPolarHBondContact O-CB 3.49Å; A308-A312 PolarHBondContact O-N 2.99Å; K309-A312 PolarHBondContact O-N 3.22Å; A312-S315 WeakPolarHBondContact O-CB 3.42Å; A312-S315 PolarHBondContact O-N 2.86Å; A312-Y316 PolarHBondContact O-N 3.34Å; A312-C317 HydrophobicContact CB-CB 4.36Å; A312-C317 PolarHBondContact O-N 3.49Å
313F95.4Very high91.5Very high31 Ų3164.2 Ų64.214%0.13635%0.347CS..Hα-helixtrans-61.1-43.1174.9177.5-93.4000112.8M264 R268 K309 L310 R311 S315 Y316M264-F313 HydrophobicContact CB-CZ 4.41Å; M264-F313 HydrophobicContact CE-CE2 4.45Å; M264-F313 HydrophobicContact CG-CD2 4.23Å; M264-F313 HydrophobicContact CG-CE1 4.11Å; M264-F313 HydrophobicContact CG-CE2 3.25Å; M264-F313 HydrophobicContact CG-CZ 3.2Å; M264-F313 VanDerWaalsContact O-CZ 3.26Å; M264-F313 WeakPolarHBondContact O-CZ 3.4Å; M264-F313 HydrophobicContact SD-CD2 4.12Å; M264-F313 HydrophobicContact SD-CE2 3.6Å; M264-F313 VanDerWaalsContact SD-CE2 3.6Å; M264-F313 HydrophobicContact SD-CZ 4.16Å; R268-F313 HydrophobicContact CB-CD1 4.48Å; R268-F313 HydrophobicContact CB-CE1 3.47Å; R268-F313 VanDerWaalsContact CB-CE1 3.47Å; R268-F313 HydrophobicContact CB-CZ 3.67Å; R268-F313 HydrophobicContact CG-CD1 4.38Å; R268-F313 HydrophobicContact CG-CE1 3.79Å; R268-F313 HydrophobicContact CG-CZ 4.12Å; R268-F313 VanDerWaalsContact CZ-CE2 3.44Å; R268-F313 PolarHBondContact NE-O 3.27Å; R268-F313 VanDerWaalsContact NE-O 3.13Å; R268-F313 PolarHBondContact NH2-O 2.84Å; K309-F313 WeakPolarHBondContact O-CB 3.26Å; K309-F313 PolarHBondContact O-N 2.66Å; L310-F313 WeakPolarHBondContact O-CB 3.34Å; L310-F313 PolarHBondContact O-N 3.37Å; R311-F313 VanDerWaalsContact C-N 3.29Å; R311-F313 PolarHBondContact O-N 3.42Å; F313-S315 VanDerWaalsContact C-N 3.32Å; F313-Y316 PolarHBondContact O-N 2.98Å
314L95.9Very high90.9Very high8 Ų861.9 Ų61.94%0.04234%0.341CS..Hα-helixtrans-75.2-20.8176.1-67.4177000113.1R268 I271 Y297 I301 L304 I306 L310 R311 Y316R268-L314 HydrophobicContact CG-CD2 4.39Å; I271-L314 HydrophobicContact CB-CD2 3.98Å; I271-L314 HydrophobicContact CD1-CD2 4.09Å; I271-L314 HydrophobicContact CG2-CD1 3.87Å; I271-L314 HydrophobicContact CG2-CD2 3.73Å; I271-L314 HydrophobicContact CG2-CG 4.47Å; Y297-L314 VanDerWaalsContact CE1-O 3.27Å; Y297-L314 WeakPolarHBondContact CE1-O 3.29Å; Y297-L314 PolarHBondContact OH-O 3.5Å; I301-L314 HydrophobicContact CD1-CB 4.11Å; I301-L314 HydrophobicContact CD1-CD1 4.22Å; I301-L314 HydrophobicContact CG2-CB 4.12Å; L304-L314 HydrophobicContact CD1-CD1 4.22Å; I306-L314 HydrophobicContact CD1-CD1 3.64Å; L310-L314 WeakPolarHBondContact O-CG 3.31Å; L310-L314 PolarHBondContact O-N 3.13Å; R311-L314 PolarHBondContact O-N 3.42Å; L314-Y316 VanDerWaalsContact O-CD2 3.25Å; L314-Y316 WeakPolarHBondContact O-CD2 3.41Å; L314-Y316 WeakPolarHBondContact O-CE2 3.38Å; L314-Y316 PolarHBondContact O-N 3.18Å
315S94.4Very high90.3Very high5 Ų561.6 Ų61.64%0.03534%0.336CS..THydrogen-bonded Turntrans-79.4-1.6172-55.90000113.5Y106 R311 A312 F313 C317 W320Y106-S315 WeakPolarHBondContact CE1-OG 3.46Å; Y106-S315 VanDerWaalsContact OH-CB 3.29Å; Y106-S315 WeakPolarHBondContact OH-CB 3.32Å; Y106-S315 PolarHBondContact OH-OG 2.84Å; R311-S315 WeakPolarHBondContact O-CB 3.31Å; R311-S315 PolarHBondContact O-N 3.38Å; R311-S315 PolarHBondContact O-OG 2.92Å; A312-S315 WeakPolarHBondContact O-CB 3.42Å; A312-S315 PolarHBondContact O-N 2.86Å; F313-S315 VanDerWaalsContact C-N 3.32Å; S315-C317 VanDerWaalsContact CB-SG 3.57Å; S315-C317 PolarHBondContact O-N 2.99Å; S315-W320 PolarHBondContact O-NE1 3.22Å
316Y95Very high89.4Confident0 Ų059.7 Ų59.70%033%0.325CS..THydrogen-bonded Turntrans60.525.6-176.5-65.7-107.7000113.5L129 L176 E179 L180 S183 R268 R272 A312 F313 L314 D318 L319 W320L129-Y316 HydrophobicContact CD1-CD2 4.05Å; L176-Y316 HydrophobicContact CD1-CD1 4.13Å; L176-Y316 HydrophobicContact CD1-CG 4.2Å; E179-Y316 HydrophobicContact CB-CD1 4.3Å; E179-Y316 HydrophobicContact CB-CE1 3.97Å; L180-Y316 HydrophobicContact CD2-CD1 4.31Å; L180-Y316 HydrophobicContact CD2-CD2 4.21Å; L180-Y316 HydrophobicContact CD2-CE1 4.3Å; L180-Y316 HydrophobicContact CD2-CE2 4.23Å; L180-Y316 HydrophobicContact CD2-CG 4.29Å; S183-Y316 VanDerWaalsContact CB-OH 3.3Å; S183-Y316 WeakPolarHBondContact CB-OH 3.41Å; S183-Y316 PolarHBondContact OG-OH 3.34Å; R268-Y316 VanDerWaalsContact CD-CZ 3.49Å; R268-Y316 HydrophobicContact CG-CE1 4.31Å; R268-Y316 HydrophobicContact CG-CE2 4.16Å; R272-Y316 VanDerWaalsContact CD-OH 3.27Å; R272-Y316 WeakPolarHBondContact CD-OH 3.46Å; A312-Y316 PolarHBondContact O-N 3.34Å; F313-Y316 PolarHBondContact O-N 2.98Å; L314-Y316 VanDerWaalsContact O-CD2 3.25Å; L314-Y316 WeakPolarHBondContact O-CD2 3.41Å; L314-Y316 WeakPolarHBondContact O-CE2 3.38Å; L314-Y316 PolarHBondContact O-N 3.18Å; Y316-D318 PolarHBondContact O-N 3.22Å; Y316-D318 VanDerWaalsContact O-N 3.15Å; Y316-L319 HydrophobicContact CD1-CD1 4.03Å; Y316-L319 PolarHBondContact O-N 3.37Å; Y316-W320 PolarHBondContact O-N 2.95Å; Y316-W320 PolarHBondContact O-NE1 2.97Å
317C93Very high88.2Confident47 Ų4762.5 Ų62.532%0.31834%0.338SS..G310 helixtrans-59.2-29.8-175.8-67.70000113.4A312 S315 L319 W320A312-C317 HydrophobicContact CB-CB 4.36Å; A312-C317 PolarHBondContact O-N 3.49Å; S315-C317 VanDerWaalsContact CB-SG 3.57Å; S315-C317 PolarHBondContact O-N 2.99Å; C317-L319 PolarHBondContact O-N 3.32Å; C317-W320 HydrophobicContact CB-CD2 4.45Å; C317-W320 HydrophobicContact CB-CZ2 4.45Å; C317-W320 WeakPolarHBondContact SG-CZ2 3.37Å
318D91.5Very high86.9Confident96 Ų9659 Ų5951%0.51332%0.315SS..G310 helixtrans-68.1-15.8175.354.2-61.4000113.9R268 Y316R268-D318 IonicContact CZ-OD1 3.33Å; R268-D318 IonicContact CZ-OD2 3.16Å; R268-D318 IonicContact NH1-OD1 2.78Å; R268-D318 PolarHBondContact NH1-OD1 3.48Å; R268-D318 IonicContact NH1-OD2 3.41Å; R268-D318 PolarHBondContact NH1-OD2 3.48Å; R268-D318 IonicContact NH2-OD1 3.81Å; R268-D318 PolarHBondContact NH2-OD1 3.36Å; R268-D318 IonicContact NH2-OD2 3.51Å; R268-D318 PolarHBondContact NH2-OD2 2.91Å; Y316-D318 PolarHBondContact O-N 3.22Å; Y316-D318 VanDerWaalsContact O-N 3.15Å
319L92Very high85.6Confident38 Ų3864.8 Ų64.820%0.19933%0.326CS..G310 helixtrans-113.22.7-178.4-55.6-170.4000113.4I175 L176 E179 Y316 C317I175-L319 HydrophobicContact CG2-CD2 4.43Å; L176-L319 HydrophobicContact CD1-CB 4.23Å; E179-L319 HydrophobicContact CB-CD1 3.89Å; E179-L319 HydrophobicContact CG-CD1 3.54Å; Y316-L319 HydrophobicContact CD1-CD1 4.03Å; Y316-L319 PolarHBondContact O-N 3.37Å; C317-L319 PolarHBondContact O-N 3.32Å
320W89.9Confident84.1Confident57 Ų5758.7 Ų58.722%0.21630%0.304CS..SBendtrans-62.7140.8175.3-66.8-1.6000109.8L102 P103 Y106 S315 Y316 C317 N322L102-W320 HydrophobicContact CB-CD2 3.92Å; L102-W320 HydrophobicContact CB-CE3 4.25Å; L102-W320 HydrophobicContact CB-CG 4.09Å; L102-W320 HydrophobicContact CD1-CB 4Å; L102-W320 HydrophobicContact CD1-CD2 4.32Å; L102-W320 HydrophobicContact CD1-CG 3.67Å; P103-W320 HydrophobicContact CB-CZ3 4.13Å; P103-W320 HydrophobicContact CG-CE3 3.93Å; P103-W320 HydrophobicContact CG-CZ3 3.96Å; Y106-W320 HydrophobicContact CD1-CH2 4.41Å; Y106-W320 HydrophobicContact CD1-CZ2 4.2Å; Y106-W320 HydrophobicContact CD2-CZ2 4.25Å; Y106-W320 HydrophobicContact CG-CH2 4.27Å; Y106-W320 AromaticContact CG-CZ2 3.81Å; Y106-W320 HydrophobicContact CG-CZ2 3.81Å; S315-W320 PolarHBondContact O-NE1 3.22Å; Y316-W320 PolarHBondContact O-N 2.95Å; Y316-W320 PolarHBondContact O-NE1 2.97Å; C317-W320 HydrophobicContact CB-CD2 4.45Å; C317-W320 HydrophobicContact CB-CZ2 4.45Å; C317-W320 WeakPolarHBondContact SG-CZ2 3.37Å; W320-N322 PolarHBondContact O-N 2.98Å
321P82.5Confident82.1Confident18 Ų1855.6 Ų55.612%0.11729%0.288CS..  trans-54.7135.9171.3-2130.7000110.1Y162 C169 N173 L323Y162-P321 HydrophobicContact CE2-CB 4.44Å; Y162-P321 HydrophobicContact CE2-CG 4.2Å; C169-P321 HydrophobicContact CB-CB 4.31Å; N173-P321 HydrophobicContact CB-CG 4.47Å; N173-P321 WeakPolarHBondContact OD1-CG 3.3Å; P321-L323 PolarHBondContact O-N 3.11Å
322N77.9Confident79.8Confident117 Ų11760.8 Ų60.863%0.62631%0.314SS*.  trans-77.562175.4-170.632.1000110.4W320W320-N322 PolarHBondContact O-N 2.98Å
323L75.8Confident77.2Confident15 Ų1561 Ų618%0.07932%0.315CS..  trans-82.6116.8177.2-17463.7000108.5Y101 Y162 P321 Q327 V328Y101-L323 HydrophobicContact CD2-CD2 4.08Å; Y101-L323 HydrophobicContact CE2-CB 4.47Å; Y162-L323 HydrophobicContact CD1-CD2 3.94Å; Y162-L323 HydrophobicContact CE1-CD2 3.77Å; P321-L323 PolarHBondContact O-N 3.11Å; L323-Q327 HydrophobicContact CD1-CB 3.87Å; L323-V328 HydrophobicContact CD2-CG2 3.72Å; L323-V328 HydrophobicContact CG-CG2 4.07Å
324D78Confident74.4Confident86 Ų8662.1 Ų62.146%0.4632%0.323SS..  trans-66.5137.4170.8-175.81000108.8S326 Q327D324-S326 PolarHBondContact O-N 2.86Å; D324-S326 VanDerWaalsContact O-N 3.13Å; D324-S326 PolarHBondContact OD1-N 3.18Å; D324-S326 VanDerWaalsContact OD1-N 3.14Å; D324-S326 PolarHBondContact OD2-OG 2.72Å; D324-Q327 HydrophobicContact CB-CG 4.12Å; D324-Q327 WeakPolarHBondContact O-CB 3.18Å; D324-Q327 PolarHBondContact O-N 3.42Å
325R79.3Confident71.5Confident54 Ų5473.4 Ų73.420%0.20437%0.365CS..G310 helixtrans-51.9-34.7172.8179.1-179.6172.8-120.8-7.2111.5I19 K20 D22 Q64 S65 Q327 V328I19-R325 PolarHBondContact O-NH2 3.15Å; K20-R325 PolarHBondContact O-NH1 3.4Å; K20-R325 VanDerWaalsContact O-NH1 3.1Å; K20-R325 PolarHBondContact O-NH2 3.26Å; D22-R325 VanDerWaalsContact CB-NH1 3.3Å; Q64-R325 VanDerWaalsContact O-CZ 3.31Å; Q64-R325 PolarHBondContact O-NE 2.9Å; Q64-R325 PolarHBondContact O-NH2 3.49Å; S65-R325 WeakPolarHBondContact O-CD 3.5Å; S65-R325 PolarHBondContact O-NE 2.79Å; R325-Q327 PolarHBondContact O-N 3.42Å; R325-V328 PolarHBondContact O-N 3.33Å
326S75.4Confident68.7Low92 Ų9277.5 Ų77.564%0.64338%0.382SS*.G310 helixtrans-63.9-22.9177.974.90000113.8D324D324-S326 PolarHBondContact O-N 2.86Å; D324-S326 VanDerWaalsContact O-N 3.13Å; D324-S326 PolarHBondContact OD1-N 3.18Å; D324-S326 VanDerWaalsContact OD1-N 3.14Å; D324-S326 PolarHBondContact OD2-OG 2.72Å
327Q69.4Low65.8Low102 Ų10285.4 Ų85.448%0.47742%0.419SS..G310 helixtrans-91.4-11.6-179.6-63.7174.8-18.800112.8L323 D324 R325L323-Q327 HydrophobicContact CD1-CB 3.87Å; D324-Q327 HydrophobicContact CB-CG 4.12Å; D324-Q327 WeakPolarHBondContact O-CB 3.18Å; D324-Q327 PolarHBondContact O-N 3.42Å; R325-Q327 PolarHBondContact O-N 3.42Å
328V67.2Low63.3Low13 Ų1389.9 Ų89.98%0.07943%0.429CS..SBendtrans-73.5134.3173.3-1740000108.6S65 Y101 L323 R325 V330S65-V328 WeakPolarHBondContact OG-CG1 3.35Å; Y101-V328 HydrophobicContact CD2-CG2 3.82Å; Y101-V328 HydrophobicContact CE2-CG2 4.28Å; Y101-V328 HydrophobicContact CG-CG2 4Å; L323-V328 HydrophobicContact CD2-CG2 3.72Å; L323-V328 HydrophobicContact CG-CG2 4.07Å; R325-V328 PolarHBondContact O-N 3.33Å; V328-V330 PolarHBondContact O-N 3.15Å
329K66.6Low60.8Low192 Ų19292.4 Ų92.484%0.83544%0.442SS*.  trans-59.5104.4170-71-176.6-177.2175.70109.3
330V61.6Low58Low53 Ų5397.8 Ų97.832%0.32147%0.466SS..  trans-90.6143.1173.6174.90000108.8Q64 V328 K332Q64-V330 VanDerWaalsContact CD-CG1 3.44Å; V328-V330 PolarHBondContact O-N 3.15Å; V330-K332 PolarHBondContact O-N 3.18Å
331V53.6Low55.8Low17 Ų1797.1 Ų97.110%0.10347%0.466CS..  trans-64.3109.6170.1173.80000107.4H63 Q64 R99 A333 F350H63-V331 HydrophobicContact CB-CG2 4.32Å; Q64-V331 PolarHBondContact NE2-O 3.11Å; R99-V331 VanDerWaalsContact NH2-CG2 3.33Å; V331-A333 PolarHBondContact O-N 3.1Å; V331-F350 HydrophobicContact CB-CE1 4.41Å; V331-F350 HydrophobicContact CG1-CD1 4.18Å; V331-F350 HydrophobicContact CG1-CE1 3.74Å; V331-F350 HydrophobicContact CG1-CZ 4.25Å; V331-F350 HydrophobicContact CG2-CD1 3.66Å; V331-F350 HydrophobicContact CG2-CE1 3.98Å
332K46.4Very low53.7Low196 Ų196100.1 Ų100.185%0.85249%0.485SS*.  trans-58.8109.1165.4-70.3-178.5-178.2174.40105.4V330 N334V330-K332 PolarHBondContact O-N 3.18Å; K332-N334 PolarHBondContact O-N 3.43Å
333A41.1Very low52Low45 Ų45100 Ų10037%0.37248%0.484SS..  trans-38.4126.4-175.900000110.9V331 R335V331-A333 PolarHBondContact O-N 3.1Å; A333-R335 PolarHBondContact O-N 3.39Å
334N36.7Very low50.3Low54 Ų54103.7 Ų103.729%0.28951%0.508SS..  trans-32.198.3-177.4-71.4-18.9000111.8K332 F350K332-N334 PolarHBondContact O-N 3.43Å; N334-F350 WeakPolarHBondContact OD1-CZ 3.28Å
335R33.7Very low48.6Very low245 Ų245102.8 Ų102.893%0.92550%0.501SS*.  trans-73.9-13.3163.1-92.8-169-178.7-176.21111.4A333 H337A333-R335 PolarHBondContact O-N 3.39Å; R335-H337 PolarHBondContact O-N 3.06Å
336F36.2Very low46.9Very low91 Ų91100.8 Ų100.840%0.39950%0.495SS..SBendtrans-64111.1164.9-62.6-77.7000107.1R338 I341 M345 I349F336-R338 PolarHBondContact O-N 2.65Å; F336-I341 HydrophobicContact CB-CG1 4.31Å; F336-M345 HydrophobicContact CD1-CE 3.97Å; F336-M345 HydrophobicContact CE1-CE 3.49Å; F336-M345 VanDerWaalsContact CE1-CE 3.49Å; F336-M345 HydrophobicContact CZ-CE 4.09Å; F336-I349 HydrophobicContact CD2-CD1 3.3Å; F336-I349 HydrophobicContact CD2-CG1 4.25Å; F336-I349 HydrophobicContact CE2-CD1 3.25Å; F336-I349 HydrophobicContact CE2-CG1 3.79Å; F336-I349 HydrophobicContact CG-CD1 4.2Å; F336-I349 HydrophobicContact CZ-CD1 4.12Å
337H33.1Very low45.3Very low165 Ų165100.3 Ų100.376%0.76449%0.485SS*.  trans-42.7133164.8-89.8-11.9000107.8R335 N339 E340R335-H337 PolarHBondContact O-N 3.06Å; H337-N339 PolarHBondContact O-N 2.97Å; H337-E340 PolarHBondContact O-N 3.41Å
338R41.6Very low43.9Very low142 Ų14299.3 Ų99.354%0.53648%0.483SS..THydrogen-bonded Turntrans-52.31.9-171.3-71.1177.5176.8174.6-3.3114.5Q52 F336Q52-R338 VanDerWaalsContact CD-O 3.3Å; Q52-R338 PolarHBondContact NE2-O 3.47Å; Q52-R338 PolarHBondContact OE1-O 3.26Å; F336-R338 PolarHBondContact O-N 2.65Å
339N38.1Very low42.7Very low148 Ų148101 Ų10179%0.79149%0.49SS*.THydrogen-bonded Turntrans-105-2-174.9-64.2-8.8000115.6H337H337-N339 PolarHBondContact O-N 2.97Å
340E34.5Very low41.5Very low152 Ų15293.2 Ų93.271%0.7146%0.457SS*.  trans-134.333.5-171.9-67.7-173.6163.500115.3H337 T342 M345H337-E340 PolarHBondContact O-N 3.41Å; E340-T342 PolarHBondContact O-N 3.05Å; E340-M345 VanDerWaalsContact O-SD 3.36Å
341I42Very low40.7Very low42 Ų4292.7 Ų92.722%0.21545%0.449CS..  trans-89.7110.1177.6-60.5179.4000109.7F336 I346F336-I341 HydrophobicContact CB-CG1 4.31Å; I341-I346 HydrophobicContact CG2-CB 4.48Å; I341-I346 HydrophobicContact CG2-CD1 3.71Å; I341-I346 HydrophobicContact CG2-CG1 3.15Å
342T40.2Very low39.7Very low81 Ų8197.5 Ų97.550%0.49747%0.471SS..  trans-95.4156.9170.750.80000111.3E340 T344 M345 I346E340-T342 PolarHBondContact O-N 3.05Å; T342-T344 PolarHBondContact O-N 3.21Å; T342-M345 CarbonylContact O-C 3.5Å; T342-M345 WeakPolarHBondContact O-CA 3.45Å; T342-M345 WeakPolarHBondContact O-CB 3.44Å; T342-M345 PolarHBondContact O-N 3.45Å; T342-I346 PolarHBondContact O-N 3.38Å
343D42Very low39Very low114 Ų11495 Ų9561%0.6147%0.467SS*.Hα-helixtrans-50.7-35.4-179.1-68.7-29.9000113.4I346 N347D343-I346 PolarHBondContact O-N 3.35Å; D343-N347 PolarHBondContact O-N 3.06Å; D343-N347 PolarHBondContact O-ND2 3.04Å
344T39.6Very low38.4Very low94 Ų94100.2 Ų100.258%0.57753%0.525SS*.Hα-helixtrans-67.6-40.6175.8-22.20000112.2T342 N347 N348T342-T344 PolarHBondContact O-N 3.21Å; T344-N347 PolarHBondContact O-N 3.45Å; T344-N348 WeakPolarHBondContact O-CB 3.37Å; T344-N348 VanDerWaalsContact O-CG 3.26Å; T344-N348 PolarHBondContact O-N 3.4Å; T344-N348 PolarHBondContact O-OD1 3.49Å
345M41.5Very low38.5Very low66 Ų66102.6 Ų102.633%0.32554%0.537SS..Hα-helixtrans-69.6-34.8173.8-77.3179.814100111.7F336 E340 T342 N347 N348 I349F336-M345 HydrophobicContact CD1-CE 3.97Å; F336-M345 HydrophobicContact CE1-CE 3.49Å; F336-M345 VanDerWaalsContact CE1-CE 3.49Å; F336-M345 HydrophobicContact CZ-CE 4.09Å; E340-M345 VanDerWaalsContact O-SD 3.36Å; T342-M345 CarbonylContact O-C 3.5Å; T342-M345 WeakPolarHBondContact O-CA 3.45Å; T342-M345 WeakPolarHBondContact O-CB 3.44Å; T342-M345 PolarHBondContact O-N 3.45Å; M345-N347 VanDerWaalsContact C-N 3.33Å; M345-N348 PolarHBondContact O-N 3.33Å; M345-I349 HydrophobicContact CB-CD1 3.9Å; M345-I349 WeakPolarHBondContact O-CB 3.44Å; M345-I349 VanDerWaalsContact O-CD1 3.26Å; M345-I349 WeakPolarHBondContact O-CD1 3.09Å; M345-I349 WeakPolarHBondContact O-CG1 3.33Å; M345-I349 PolarHBondContact O-N 2.51Å
346I43.9Very low38.8Very low13 Ų1395.1 Ų95.17%0.06752%0.516CS..Hα-helixtrans-62.1-45.5173.8-64173.1000110I53 L88 I341 T342 D343 N348 F350 Y351I53-I346 HydrophobicContact CG2-CD1 4.22Å; L88-I346 HydrophobicContact CD1-CG2 3.64Å; I341-I346 HydrophobicContact CG2-CB 4.48Å; I341-I346 HydrophobicContact CG2-CD1 3.71Å; I341-I346 HydrophobicContact CG2-CG1 3.15Å; T342-I346 PolarHBondContact O-N 3.38Å; D343-I346 PolarHBondContact O-N 3.35Å; I346-N348 PolarHBondContact O-N 2.88Å; I346-F350 HydrophobicContact CG2-CD2 4.08Å; I346-F350 VanDerWaalsContact O-CB 3.3Å; I346-F350 WeakPolarHBondContact O-CB 3Å; I346-F350 PolarHBondContact O-N 2.97Å; I346-Y351 HydrophobicContact CG2-CD2 3.92Å; I346-Y351 HydrophobicContact CG2-CE2 3.44Å; I346-Y351 VanDerWaalsContact CG2-CE2 3.44Å; I346-Y351 VanDerWaalsContact O-CD2 3.27Å; I346-Y351 WeakPolarHBondContact O-CD2 3.28Å
347N41.8Very low38.9Very low82 Ų8295.3 Ų95.344%0.43952%0.523SS..Hα-helixtrans-60.4-41.5173.9-71.6-29.2000113D343 T344 M345 Y351 E352D343-N347 PolarHBondContact O-N 3.06Å; D343-N347 PolarHBondContact O-ND2 3.04Å; T344-N347 PolarHBondContact O-N 3.45Å; M345-N347 VanDerWaalsContact C-N 3.33Å; N347-Y351 CarbonylContact O-C 3.59Å; N347-Y351 WeakPolarHBondContact O-CA 3.39Å; N347-Y351 VanDerWaalsContact O-CB 3.26Å; N347-Y351 WeakPolarHBondContact O-CB 3.27Å; N347-Y351 PolarHBondContact O-N 3.02Å; N347-E352 PolarHBondContact O-N 3.23Å
348N40.6Very low39.3Very low81 Ų8191.2 Ų91.243%0.43351%0.509SS..Hα-helixtrans-79.9-30.1-178.3-671.1000114.1T344 M345 I346 E352T344-N348 WeakPolarHBondContact O-CB 3.37Å; T344-N348 VanDerWaalsContact O-CG 3.26Å; T344-N348 PolarHBondContact O-N 3.4Å; T344-N348 PolarHBondContact O-OD1 3.49Å; M345-N348 PolarHBondContact O-N 3.33Å; I346-N348 PolarHBondContact O-N 2.88Å; N348-E352 HydrophobicContact CB-CG 4.33Å; N348-E352 VanDerWaalsContact CB-OE1 3.23Å; N348-E352 WeakPolarHBondContact CB-OE1 3.45Å; N348-E352 WeakPolarHBondContact O-CB 3.4Å
349I42.5Very low39.1Very low47 Ų4788 Ų8824%0.24151%0.507CS..Hα-helixtrans-86.6-35.8-178-63.8161.4000111.5F336 M345F336-I349 HydrophobicContact CD2-CD1 3.3Å; F336-I349 HydrophobicContact CD2-CG1 4.25Å; F336-I349 HydrophobicContact CE2-CD1 3.25Å; F336-I349 HydrophobicContact CE2-CG1 3.79Å; F336-I349 HydrophobicContact CG-CD1 4.2Å; F336-I349 HydrophobicContact CZ-CD1 4.12Å; M345-I349 HydrophobicContact CB-CD1 3.9Å; M345-I349 WeakPolarHBondContact O-CB 3.44Å; M345-I349 VanDerWaalsContact O-CD1 3.26Å; M345-I349 WeakPolarHBondContact O-CD1 3.09Å; M345-I349 WeakPolarHBondContact O-CG1 3.33Å; M345-I349 PolarHBondContact O-N 2.51Å
350F40.9Very low39.2Very low30 Ų3084 Ų8413%0.13249%0.488CS..Hα-helixtrans-108-21.1-175.6-66.2-89.6000113.9H63 V331 N334 I346H63-F350 AromaticContact CE1-CD1 3.68Å; H63-F350 AromaticContact ND1-CD1 3.84Å; V331-F350 HydrophobicContact CB-CE1 4.41Å; V331-F350 HydrophobicContact CG1-CD1 4.18Å; V331-F350 HydrophobicContact CG1-CE1 3.74Å; V331-F350 HydrophobicContact CG1-CZ 4.25Å; V331-F350 HydrophobicContact CG2-CD1 3.66Å; V331-F350 HydrophobicContact CG2-CE1 3.98Å; N334-F350 WeakPolarHBondContact OD1-CZ 3.28Å; I346-F350 HydrophobicContact CG2-CD2 4.08Å; I346-F350 VanDerWaalsContact O-CB 3.3Å; I346-F350 WeakPolarHBondContact O-CB 3Å; I346-F350 PolarHBondContact O-N 2.97Å
351Y44.2Very low39.5Very low41 Ų4179.1 Ų79.116%0.16147%0.472CS..  trans-136.817.6-162.4-50-63.4000114.6L88 H90 L95 I346 N347 N353L88-Y351 HydrophobicContact CD1-CE2 3.62Å; H90-Y351 AromaticContact ND1-CZ 3.84Å; H90-Y351 PolarHBondContact ND1-OH 3.37Å; L95-Y351 HydrophobicContact CD2-CE1 3.68Å; I346-Y351 HydrophobicContact CG2-CD2 3.92Å; I346-Y351 HydrophobicContact CG2-CE2 3.44Å; I346-Y351 VanDerWaalsContact CG2-CE2 3.44Å; I346-Y351 VanDerWaalsContact O-CD2 3.27Å; I346-Y351 WeakPolarHBondContact O-CD2 3.28Å; N347-Y351 CarbonylContact O-C 3.59Å; N347-Y351 WeakPolarHBondContact O-CA 3.39Å; N347-Y351 VanDerWaalsContact O-CB 3.26Å; N347-Y351 WeakPolarHBondContact O-CB 3.27Å; N347-Y351 PolarHBondContact O-N 3.02Å; Y351-N353 PolarHBondContact O-N 3.37Å; Y351-N353 VanDerWaalsContact O-N 3.15Å
352E33.4Very low39.3Very low119 Ų11982 Ų8256%0.55649%0.492SS*.  trans-68113.6-174.2-128.8174.1-137.500112.7N347 N348N347-E352 PolarHBondContact O-N 3.23Å; N348-E352 HydrophobicContact CB-CG 4.33Å; N348-E352 VanDerWaalsContact CB-OE1 3.23Å; N348-E352 WeakPolarHBondContact CB-OE1 3.45Å; N348-E352 WeakPolarHBondContact O-CB 3.4Å
353N31.5Very low39.2Very low144 Ų14482.1 Ų82.177%0.7749%0.491SS*.  trans47.3104.8156.2-56.7-19.6000118.1Y351Y351-N353 PolarHBondContact O-N 3.37Å; Y351-N353 VanDerWaalsContact O-N 3.15Å
354G29.3Very low39Very low154 Ų15479.2 Ų79.2100%1.58848%0.481SS*.  trans-72.50162.100000113.5

Retrieved 354 of 354 residues in 374 ms (Link to these results)

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