A0A077ZFW4_TRITR Loading...

DNA polymerase kappa

AlphaFold DB , UniProt , Accession A0A077ZFW4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 624 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
1M59.5Low77.9Confident49 Ų4944.6 Ų44.624%0.24123%0.227CC..  0128.60-75.1178.7-129.300108.4F3 I22 D23 S26 F31 Q35M1-F3 PolarHBondContact O-N 3.21Å; M1-I22 HydrophobicContact CB-CG2 4.22Å; M1-D23 PolarHBondContact N-OD1 3.19Å; M1-S26 WeakPolarHBondContact CE-OG 3.39Å; M1-F31 HydrophobicContact CE-CD1 3.37Å; M1-F31 HydrophobicContact CE-CE1 3.31Å; M1-F31 HydrophobicContact CG-CE1 4.35Å; M1-F31 HydrophobicContact SD-CD1 4.32Å; M1-F31 HydrophobicContact SD-CE1 3.63Å; M1-Q35 HydrophobicContact CG-CG 4.44Å
2Q65.2Low78.5Confident135 Ų13547.9 Ų47.963%0.63128%0.28SS*.  trans-73.1117.9-178.4-162.1162.721.300110.2
3F77.9Confident79.4Confident16 Ų1646.9 Ų46.97%0.0727%0.272CS..  trans-64.6139.5170.9-178.9-104.6000109M1 D5 M10 L13 R15 I18 I22 G129M1-F3 PolarHBondContact O-N 3.21Å; F3-D5 HydrophobicContact CE1-CB 3.88Å; F3-M10 HydrophobicContact CE1-CE 4.18Å; F3-M10 HydrophobicContact CE2-CE 3.65Å; F3-M10 HydrophobicContact CZ-CE 3.21Å; F3-L13 HydrophobicContact CE1-CD1 4.46Å; F3-L13 HydrophobicContact CZ-CD1 4.09Å; F3-R15 HydrophobicContact CD1-CB 4.19Å; F3-R15 HydrophobicContact CD1-CG 4.38Å; F3-I18 HydrophobicContact CB-CG2 4.49Å; F3-I18 HydrophobicContact CD1-CB 4.31Å; F3-I18 HydrophobicContact CD1-CG2 4.23Å; F3-I18 HydrophobicContact CD2-CB 4.46Å; F3-I18 HydrophobicContact CD2-CG2 3.54Å; F3-I18 HydrophobicContact CE1-CB 4.38Å; F3-I18 HydrophobicContact CE1-CD1 4.06Å; F3-I18 HydrophobicContact CE1-CG2 4.27Å; F3-I18 HydrophobicContact CE2-CG2 3.6Å; F3-I18 HydrophobicContact CG-CB 4.32Å; F3-I18 HydrophobicContact CG-CG2 3.84Å; F3-I18 HydrophobicContact CZ-CB 4.47Å; F3-I18 HydrophobicContact CZ-CD1 3.92Å; F3-I18 HydrophobicContact CZ-CG2 3.94Å; F3-I22 HydrophobicContact CD2-CD1 3.95Å; F3-G129 WeakPolarHBondContact CE2-O 3.16Å
4N74.7Confident80.2Confident25 Ų2549.9 Ų49.913%0.13429%0.287CS..  trans-131.6121.2-179.6168.425.7000107.5C6 R131 R319N4-C6 WeakPolarHBondContact OD1-CB 3.27Å; N4-C6 PolarHBondContact OD1-N 3.48Å; N4-C6 PolarHBondContact OD1-SG 3.18Å; N4-R131 VanDerWaalsContact CA-NH1 3.3Å; N4-R131 VanDerWaalsContact CB-NH1 3.26Å; N4-R131 WeakPolarHBondContact O-CD 3.38Å; N4-R131 PolarHBondContact O-NH1 3.48Å; N4-R319 PolarHBondContact ND2-NH2 3.23Å
5D78.7Confident80.7Confident13 Ų1355.9 Ų55.97%0.0730%0.303CS..  trans-107.311.3-177.370.4-35.7000111.7F3 K7 M10 R15F3-D5 HydrophobicContact CE1-CB 3.88Å; D5-K7 PolarHBondContact O-N 3.47Å; D5-M10 HydrophobicContact CB-CB 4.07Å; D5-R15 HydrophobicContact CB-CG 4.32Å; D5-R15 IonicContact OD1-CZ 3.24Å; D5-R15 IonicContact OD1-NE 3.02Å; D5-R15 PolarHBondContact OD1-NE 2.88Å; D5-R15 IonicContact OD1-NH1 3.23Å; D5-R15 IonicContact OD1-NH2 3.76Å; D5-R15 PolarHBondContact OD1-NH2 2.92Å; D5-R15 IonicContact OD2-CZ 2.66Å; D5-R15 IonicContact OD2-NE 3.57Å; D5-R15 PolarHBondContact OD2-NE 3.01Å; D5-R15 IonicContact OD2-NH2 2.81Å; D5-R15 PolarHBondContact OD2-NH2 2.99Å
6C77.2Confident81.2Confident32 Ų3262.9 Ų62.922%0.21633%0.333CS..  trans-65.50.2178.1-680000113.8N4 K320N4-C6 WeakPolarHBondContact OD1-CB 3.27Å; N4-C6 PolarHBondContact OD1-N 3.48Å; N4-C6 PolarHBondContact OD1-SG 3.18Å; C6-K320 PolarHBondContact O-NZ 2.78Å
7K82.5Confident81.8Confident75 Ų7566.5 Ų66.533%0.32635%0.345SS..SBendtrans-84.6143.2174.3-73.1-161.6167.7-140.50110.3D5 M10 R131 A132D5-K7 PolarHBondContact O-N 3.47Å; K7-M10 HydrophobicContact CB-CG 4.45Å; K7-M10 HydrophobicContact CB-SD 3.9Å; K7-M10 WeakPolarHBondContact O-CB 3.47Å; K7-M10 PolarHBondContact O-N 2.98Å; K7-R131 HydrophobicContact CD-CB 4.46Å; K7-A132 VanDerWaalsContact NZ-CB 3.29Å
8A82.7Confident82.4Confident4 Ų464.1 Ų64.13%0.03333%0.332CS..THydrogen-bonded Turntrans-55140.4175.100000112.3Y123 R126 K295A8-Y123 HydrophobicContact CB-CE1 4.12Å; A8-R126 WeakPolarHBondContact O-CD 3.4Å; A8-R126 PolarHBondContact O-NH1 3.12Å; A8-K295 HydrophobicContact CB-CB 3.37Å; A8-K295 HydrophobicContact CB-CD 4.17Å; A8-K295 HydrophobicContact CB-CG 4.37Å
9G83.3Confident82.9Confident19 Ų1961.4 Ų61.420%0.19632%0.322CS..THydrogen-bonded Turntrans83.810.1-177.900000115.2R126G9-R126 WeakPolarHBondContact O-CB 3.48Å
10M89.9Confident83.3Confident0 Ų061.4 Ų61.40%033%0.331CS..  trans-120.29.5179.5-58.1-172.768.900112.6F3 D5 K7 L13 R126 R131F3-M10 HydrophobicContact CE1-CE 4.18Å; F3-M10 HydrophobicContact CE2-CE 3.65Å; F3-M10 HydrophobicContact CZ-CE 3.21Å; D5-M10 HydrophobicContact CB-CB 4.07Å; K7-M10 HydrophobicContact CB-CG 4.45Å; K7-M10 HydrophobicContact CB-SD 3.9Å; K7-M10 WeakPolarHBondContact O-CB 3.47Å; K7-M10 PolarHBondContact O-N 2.98Å; M10-L13 HydrophobicContact CB-CD1 3.92Å; M10-L13 HydrophobicContact CE-CD1 3.96Å; M10-L13 HydrophobicContact CG-CD1 4.4Å; M10-L13 WeakPolarHBondContact O-CG 2.94Å; M10-R126 HydrophobicContact CG-CB 3.79Å; M10-R126 HydrophobicContact CG-CG 4.23Å; M10-R131 HydrophobicContact CE-CB 4.31Å; M10-R131 HydrophobicContact CE-CG 4.4Å; M10-R131 HydrophobicContact SD-CB 3.92Å
11Q85.3Confident83.8Confident123 Ų12362.8 Ų62.858%0.57533%0.334SS*.THydrogen-bonded Turntrans-63.9142.1177-6089.2-19.100110.5L13Q11-L13 VanDerWaalsContact C-N 3.31Å; Q11-L13 PolarHBondContact O-N 3.26Å
12G84.9Confident85.4Confident84 Ų8460.9 Ų60.987%0.86633%0.325SS*.THydrogen-bonded Turntrans80.22.6177.400000115.6
13L90.1Very high86.6Confident35 Ų3555.9 Ų55.918%0.18330%0.303CS..  trans-75.2141.6175.2-60.3-179.3000111.9F3 M10 Q11 R15 I18 R126 K127F3-L13 HydrophobicContact CE1-CD1 4.46Å; F3-L13 HydrophobicContact CZ-CD1 4.09Å; M10-L13 HydrophobicContact CB-CD1 3.92Å; M10-L13 HydrophobicContact CE-CD1 3.96Å; M10-L13 HydrophobicContact CG-CD1 4.4Å; M10-L13 WeakPolarHBondContact O-CG 2.94Å; Q11-L13 VanDerWaalsContact C-N 3.31Å; Q11-L13 PolarHBondContact O-N 3.26Å; L13-R15 PolarHBondContact O-N 2.92Å; L13-I18 HydrophobicContact CB-CD1 4.03Å; L13-I18 HydrophobicContact CD1-CD1 4.21Å; L13-R126 WeakPolarHBondContact CD1-O 2.94Å; L13-K127 WeakPolarHBondContact CD2-O 3.4Å
14D90.4Very high87.3Confident88 Ų8861 Ų6147%0.47133%0.327SS..  trans-70.993.7170.8-175.3-18.3000110.2E16 K17 I18D14-E16 VanDerWaalsContact C-N 3.28Å; D14-E16 PolarHBondContact O-N 3.01Å; D14-E16 PolarHBondContact OD1-N 2.92Å; D14-K17 HydrophobicContact CB-CB 4.03Å; D14-K17 WeakPolarHBondContact OD1-CB 3.42Å; D14-K17 PolarHBondContact OD1-N 2.76Å; D14-K17 WeakPolarHBondContact OD2-CB 3.11Å; D14-I18 WeakPolarHBondContact O-CG1 3.44Å; D14-I18 PolarHBondContact O-N 3.05Å; D14-I18 VanDerWaalsContact O-N 3.08Å
15R87.9Confident88.2Confident140 Ų14063.1 Ų63.153%0.52833%0.333SS..Hα-helixtrans-61.1-38.2-176.5-58.2173.6-170.9-168.6-14.6112F3 D5 L13 G19F3-R15 HydrophobicContact CD1-CB 4.19Å; F3-R15 HydrophobicContact CD1-CG 4.38Å; D5-R15 HydrophobicContact CB-CG 4.32Å; D5-R15 IonicContact OD1-CZ 3.24Å; D5-R15 IonicContact OD1-NE 3.02Å; D5-R15 PolarHBondContact OD1-NE 2.88Å; D5-R15 IonicContact OD1-NH1 3.23Å; D5-R15 IonicContact OD1-NH2 3.76Å; D5-R15 PolarHBondContact OD1-NH2 2.92Å; D5-R15 IonicContact OD2-CZ 2.66Å; D5-R15 IonicContact OD2-NE 3.57Å; D5-R15 PolarHBondContact OD2-NE 3.01Å; D5-R15 IonicContact OD2-NH2 2.81Å; D5-R15 PolarHBondContact OD2-NH2 2.99Å; L13-R15 PolarHBondContact O-N 2.92Å; R15-G19 WeakPolarHBondContact O-CA 3.46Å; R15-G19 PolarHBondContact O-N 2.97Å
16E88.6Confident88.9Confident168 Ų16862.8 Ų62.879%0.78533%0.332SS*.Hα-helixtrans-72.6-46.6-175.8-67.5-170.3171.300110.4D14 G19 A20D14-E16 VanDerWaalsContact C-N 3.28Å; D14-E16 PolarHBondContact O-N 3.01Å; D14-E16 PolarHBondContact OD1-N 2.92Å; E16-G19 PolarHBondContact O-N 2.89Å; E16-A20 VanDerWaalsContact O-CB 3.28Å; E16-A20 WeakPolarHBondContact O-CB 3.31Å; E16-A20 PolarHBondContact O-N 3.07Å
17K91.9Very high89.6Confident125 Ų12567.5 Ų67.554%0.54335%0.348SS..Hα-helixtrans-62.9-46.4177.5-176.4177.5-176.5175.40112.4D14 G19 A20 K21D14-K17 HydrophobicContact CB-CB 4.03Å; D14-K17 WeakPolarHBondContact OD1-CB 3.42Å; D14-K17 PolarHBondContact OD1-N 2.76Å; D14-K17 WeakPolarHBondContact OD2-CB 3.11Å; K17-G19 VanDerWaalsContact C-N 3.35Å; K17-A20 PolarHBondContact O-N 3.05Å; K17-K21 WeakPolarHBondContact O-CG 3.23Å; K17-K21 PolarHBondContact O-N 3.34Å; K17-K21 VanDerWaalsContact O-N 3.11Å
18I92.8Very high90Very high22 Ų2267.4 Ų67.411%0.11337%0.369CS..Hα-helixtrans-64.9-43.9176.9-65.3172.4000109.9F3 L13 D14 A20 K21 I22 L142F3-I18 HydrophobicContact CB-CG2 4.49Å; F3-I18 HydrophobicContact CD1-CB 4.31Å; F3-I18 HydrophobicContact CD1-CG2 4.23Å; F3-I18 HydrophobicContact CD2-CB 4.46Å; F3-I18 HydrophobicContact CD2-CG2 3.54Å; F3-I18 HydrophobicContact CE1-CB 4.38Å; F3-I18 HydrophobicContact CE1-CD1 4.06Å; F3-I18 HydrophobicContact CE1-CG2 4.27Å; F3-I18 HydrophobicContact CE2-CG2 3.6Å; F3-I18 HydrophobicContact CG-CB 4.32Å; F3-I18 HydrophobicContact CG-CG2 3.84Å; F3-I18 HydrophobicContact CZ-CB 4.47Å; F3-I18 HydrophobicContact CZ-CD1 3.92Å; F3-I18 HydrophobicContact CZ-CG2 3.94Å; L13-I18 HydrophobicContact CB-CD1 4.03Å; L13-I18 HydrophobicContact CD1-CD1 4.21Å; D14-I18 WeakPolarHBondContact O-CG1 3.44Å; D14-I18 PolarHBondContact O-N 3.05Å; D14-I18 VanDerWaalsContact O-N 3.08Å; I18-A20 PolarHBondContact O-N 2.9Å; I18-K21 PolarHBondContact O-N 3.45Å; I18-I22 HydrophobicContact CG2-CD1 3.74Å; I18-I22 HydrophobicContact CG2-CG1 4.37Å; I18-I22 VanDerWaalsContact O-CG1 3.29Å; I18-I22 WeakPolarHBondContact O-CG1 3.39Å; I18-I22 PolarHBondContact O-N 3.35Å; I18-L142 HydrophobicContact CG2-CD1 4.42Å; I18-L142 HydrophobicContact CG2-CD2 4.07Å
19G91.3Very high90.5Very high13 Ų1369.3 Ų69.313%0.13438%0.382CS..Hα-helixtrans-57.5-45.9176.400000112.8R15 E16 K17 I22 D23R15-G19 WeakPolarHBondContact O-CA 3.46Å; R15-G19 PolarHBondContact O-N 2.97Å; E16-G19 PolarHBondContact O-N 2.89Å; K17-G19 VanDerWaalsContact C-N 3.35Å; G19-I22 PolarHBondContact O-N 2.75Å; G19-D23 WeakPolarHBondContact O-CB 3.47Å; G19-D23 PolarHBondContact O-N 3.45Å
20A92.1Very high91Very high62 Ų6274 Ų7451%0.51239%0.394SS..Hα-helixtrans-62.5-46.1179.200000111.9E16 K17 I18 I22 D23 E24E16-A20 VanDerWaalsContact O-CB 3.28Å; E16-A20 WeakPolarHBondContact O-CB 3.31Å; E16-A20 PolarHBondContact O-N 3.07Å; K17-A20 PolarHBondContact O-N 3.05Å; I18-A20 PolarHBondContact O-N 2.9Å; A20-I22 PolarHBondContact O-N 2.91Å; A20-D23 WeakPolarHBondContact O-CB 3.49Å; A20-D23 PolarHBondContact O-N 2.71Å; A20-E24 WeakPolarHBondContact O-CB 3.32Å; A20-E24 PolarHBondContact O-N 2.74Å
21K93.5Very high91.1Very high91 Ų9177 Ų7740%0.39641%0.407SS..Hα-helixtrans-60.1-46.1175-74.1-175.6175.6-1700112.4K17 I18 D23 E24 W25K17-K21 WeakPolarHBondContact O-CG 3.23Å; K17-K21 PolarHBondContact O-N 3.34Å; K17-K21 VanDerWaalsContact O-N 3.11Å; I18-K21 PolarHBondContact O-N 3.45Å; K21-D23 VanDerWaalsContact C-N 3.28Å; K21-D23 PolarHBondContact O-N 3.38Å; K21-E24 PolarHBondContact O-N 3.06Å; K21-W25 HydrophobicContact CB-CE3 4.47Å; K21-W25 HydrophobicContact CB-CH2 3.96Å; K21-W25 HydrophobicContact CB-CZ2 3.98Å; K21-W25 HydrophobicContact CB-CZ3 4.2Å; K21-W25 HydrophobicContact CD-CH2 4.13Å; K21-W25 HydrophobicContact CD-CZ2 4.11Å; K21-W25 HydrophobicContact CG-CZ2 4.35Å; K21-W25 PolarHBondContact O-N 2.8Å
22I91.9Very high91.5Very high9 Ų972.5 Ų72.55%0.04639%0.385CS..Hα-helixtrans-61.8-41.1177.6-67.5169.6000110.2M1 F3 I18 G19 A20 S26 M134 I138 L142M1-I22 HydrophobicContact CB-CG2 4.22Å; F3-I22 HydrophobicContact CD2-CD1 3.95Å; I18-I22 HydrophobicContact CG2-CD1 3.74Å; I18-I22 HydrophobicContact CG2-CG1 4.37Å; I18-I22 VanDerWaalsContact O-CG1 3.29Å; I18-I22 WeakPolarHBondContact O-CG1 3.39Å; I18-I22 PolarHBondContact O-N 3.35Å; G19-I22 PolarHBondContact O-N 2.75Å; A20-I22 PolarHBondContact O-N 2.91Å; I22-S26 VanDerWaalsContact O-CB 3.23Å; I22-S26 WeakPolarHBondContact O-CB 3.5Å; I22-S26 PolarHBondContact O-N 3.39Å; I22-S26 VanDerWaalsContact O-N 3.12Å; I22-S26 PolarHBondContact O-OG 3.34Å; I22-M134 HydrophobicContact CD1-CE 3.88Å; I22-I138 HydrophobicContact CG1-CG2 4.05Å; I22-L142 HydrophobicContact CD1-CD1 4.34Å
23D91Very high92Very high30 Ų3072.3 Ų72.316%0.1636%0.364CS..Hα-helixtrans-62.5-50.3177.8-150.873.8000111M1 G19 A20 K21 W25 S26 K27 Y32M1-D23 PolarHBondContact N-OD1 3.19Å; G19-D23 WeakPolarHBondContact O-CB 3.47Å; G19-D23 PolarHBondContact O-N 3.45Å; A20-D23 WeakPolarHBondContact O-CB 3.49Å; A20-D23 PolarHBondContact O-N 2.71Å; K21-D23 VanDerWaalsContact C-N 3.28Å; K21-D23 PolarHBondContact O-N 3.38Å; D23-W25 PolarHBondContact O-N 2.78Å; D23-S26 PolarHBondContact O-N 3.45Å; D23-K27 WeakPolarHBondContact O-CG 3.43Å; D23-K27 PolarHBondContact O-N 3.17Å; D23-Y32 WeakPolarHBondContact OD1-CE2 3.31Å; D23-Y32 WeakPolarHBondContact OD2-CE2 3.49Å; D23-Y32 PolarHBondContact OD2-OH 2.94Å
24E93.3Very high92.2Very high123 Ų12372.4 Ų72.458%0.57536%0.364SS*.Hα-helixtrans-53.1-53175.7-173.5-166159.600112A20 K21 S26 K27A20-E24 WeakPolarHBondContact O-CB 3.32Å; A20-E24 PolarHBondContact O-N 2.74Å; K21-E24 PolarHBondContact O-N 3.06Å; E24-S26 PolarHBondContact O-N 3.46Å; E24-K27 PolarHBondContact O-N 2.82Å
25W93.7Very high92.3Very high69 Ų6970.2 Ų70.226%0.26135%0.351SS..Hα-helixtrans-67.6-17.3-179.6-59.9-25.7000114.1K21 D23 I138 K141 L142K21-W25 HydrophobicContact CB-CE3 4.47Å; K21-W25 HydrophobicContact CB-CH2 3.96Å; K21-W25 HydrophobicContact CB-CZ2 3.98Å; K21-W25 HydrophobicContact CB-CZ3 4.2Å; K21-W25 HydrophobicContact CD-CH2 4.13Å; K21-W25 HydrophobicContact CD-CZ2 4.11Å; K21-W25 HydrophobicContact CG-CZ2 4.35Å; K21-W25 PolarHBondContact O-N 2.8Å; D23-W25 PolarHBondContact O-N 2.78Å; W25-I138 HydrophobicContact CE3-CG2 4.23Å; W25-I138 HydrophobicContact CZ3-CG2 4.44Å; W25-K141 HydrophobicContact CB-CD 4.35Å; W25-K141 HydrophobicContact CD2-CB 4.22Å; W25-K141 HydrophobicContact CD2-CD 3.69Å; W25-K141 HydrophobicContact CE3-CB 3.83Å; W25-K141 HydrophobicContact CE3-CD 3.93Å; W25-K141 HydrophobicContact CG-CD 3.89Å; W25-K141 HydrophobicContact CH2-CB 3.66Å; W25-K141 HydrophobicContact CZ2-CB 4.08Å; W25-K141 HydrophobicContact CZ3-CB 3.53Å; W25-K141 HydrophobicContact CZ3-CD 4.48Å; W25-L142 HydrophobicContact CH2-CD2 3.86Å; W25-L142 HydrophobicContact CH2-CG 4.39Å; W25-L142 HydrophobicContact CZ3-CD2 3.64Å; W25-L142 HydrophobicContact CZ3-CG 3.91Å
26S92.1Very high92.5Very high6 Ų666.5 Ų66.54%0.04234%0.34CS..Hα-helixtrans-95.1-19.5179.8-58.20000112.9M1 I22 D23 E24 S29 Y32M1-S26 WeakPolarHBondContact CE-OG 3.39Å; I22-S26 VanDerWaalsContact O-CB 3.23Å; I22-S26 WeakPolarHBondContact O-CB 3.5Å; I22-S26 PolarHBondContact O-N 3.39Å; I22-S26 VanDerWaalsContact O-N 3.12Å; I22-S26 PolarHBondContact O-OG 3.34Å; D23-S26 PolarHBondContact O-N 3.45Å; E24-S26 PolarHBondContact O-N 3.46Å; S26-S29 VanDerWaalsContact O-CB 3.3Å; S26-S29 WeakPolarHBondContact O-CB 3.42Å; S26-S29 PolarHBondContact O-N 3.03Å; S26-S29 VanDerWaalsContact O-N 3.14Å; S26-S29 PolarHBondContact O-OG 2.85Å; S26-Y32 WeakPolarHBondContact O-CB 3.22Å
27K92.2Very high92.8Very high131 Ų13163.1 Ų63.157%0.5732%0.323SS*.THydrogen-bonded Turntrans-54140.5-179.7-82.4175.9-177.1179.30111.2D23 E24 S29 Y32D23-K27 WeakPolarHBondContact O-CG 3.43Å; D23-K27 PolarHBondContact O-N 3.17Å; E24-K27 PolarHBondContact O-N 2.82Å; K27-S29 PolarHBondContact O-N 3.22Å; K27-Y32 HydrophobicContact CG-CE1 4.09Å; K27-Y32 HydrophobicContact CG-CE2 3.97Å
28G90.4Very high92.8Very high74 Ų7462.4 Ų62.476%0.76332%0.317SS*.THydrogen-bonded Turntrans78.3-6-177.800000115.2
29S93.8Very high92.8Very high44 Ų4466.3 Ų66.331%0.30833%0.33SS..SBendtrans-79.1145.5172.173.50000111.6S26 K27 F31 Y32 D33S26-S29 VanDerWaalsContact O-CB 3.3Å; S26-S29 WeakPolarHBondContact O-CB 3.42Å; S26-S29 PolarHBondContact O-N 3.03Å; S26-S29 VanDerWaalsContact O-N 3.14Å; S26-S29 PolarHBondContact O-OG 2.85Å; K27-S29 PolarHBondContact O-N 3.22Å; S29-F31 PolarHBondContact O-N 3.12Å; S29-Y32 WeakPolarHBondContact O-CA 3.24Å; S29-Y32 VanDerWaalsContact O-CB 3.31Å; S29-Y32 WeakPolarHBondContact O-CB 3.41Å; S29-Y32 PolarHBondContact O-N 3.06Å; S29-Y32 WeakPolarHBondContact OG-CB 3.3Å; S29-Y32 PolarHBondContact OG-N 2.75Å; S29-Y32 VanDerWaalsContact OG-N 3.13Å; S29-D33 PolarHBondContact O-N 3.33Å
30R93.8Very high93Very high118 Ų11870.3 Ų70.345%0.44535%0.345SS..Hα-helixtrans-54.9-28172.6-64.1-179.7-176.8164.4-1.1112.9H34 E393 I432 F434R30-H34 PolarHBondContact O-N 3.35Å; R30-E393 IonicContact NH1-OE2 3.8Å; R30-I432 VanDerWaalsContact CD-O 3.29Å; R30-I432 WeakPolarHBondContact CD-O 3.21Å; R30-F434 HydrophobicContact CB-CD2 4.28Å; R30-F434 HydrophobicContact CB-CE2 4.14Å
31F93Very high93.2Very high62 Ų6275 Ų7527%0.27235%0.35SS..Hα-helixtrans-71.2-40.8176.5-174.5-109.4000111.8M1 S29 H34 Q35 F434M1-F31 HydrophobicContact CE-CD1 3.37Å; M1-F31 HydrophobicContact CE-CE1 3.31Å; M1-F31 HydrophobicContact CG-CE1 4.35Å; M1-F31 HydrophobicContact SD-CD1 4.32Å; M1-F31 HydrophobicContact SD-CE1 3.63Å; S29-F31 PolarHBondContact O-N 3.12Å; F31-H34 PolarHBondContact O-N 3.26Å; F31-Q35 HydrophobicContact CD1-CG 4.11Å; F31-Q35 HydrophobicContact CE1-CG 3.74Å; F31-Q35 VanDerWaalsContact CE2-NE2 3.31Å; F31-Q35 HydrophobicContact CZ-CG 4Å; F31-Q35 WeakPolarHBondContact O-CG 3.42Å; F31-Q35 PolarHBondContact O-N 3.18Å; F31-F434 VanDerWaalsContact CA-CE2 3.48Å; F31-F434 HydrophobicContact CB-CD2 4.06Å; F31-F434 HydrophobicContact CB-CE1 4.27Å; F31-F434 HydrophobicContact CB-CE2 3.49Å; F31-F434 VanDerWaalsContact CB-CE2 3.49Å; F31-F434 HydrophobicContact CB-CZ 3.56Å; F31-F434 AromaticContact CD2-CD1 3.54Å; F31-F434 HydrophobicContact CD2-CD1 3.54Å; F31-F434 HydrophobicContact CD2-CD2 4.13Å; F31-F434 AromaticContact CD2-CE1 3.41Å; F31-F434 HydrophobicContact CD2-CE1 3.41Å; F31-F434 VanDerWaalsContact CD2-CE1 3.41Å; F31-F434 HydrophobicContact CD2-CE2 4.04Å; F31-F434 AromaticContact CD2-CG 3.87Å; F31-F434 HydrophobicContact CD2-CG 3.87Å; F31-F434 AromaticContact CD2-CZ 3.63Å; F31-F434 HydrophobicContact CD2-CZ 3.63Å; F31-F434 HydrophobicContact CE2-CD1 4.13Å; F31-F434 HydrophobicContact CE2-CE1 4.13Å; F31-F434 HydrophobicContact CG-CE1 4.21Å; F31-F434 HydrophobicContact CG-CE2 4.26Å; F31-F434 AromaticContact CG-CZ 3.99Å; F31-F434 HydrophobicContact CG-CZ 3.99Å
32Y93.8Very high93.3Very high28 Ų2872 Ų7211%0.1134%0.338CS..Hα-helixtrans-60.6-48.6176.4-174.6-91.8000110.9D23 S26 K27 S29 H34 Q35 M36D23-Y32 WeakPolarHBondContact OD1-CE2 3.31Å; D23-Y32 WeakPolarHBondContact OD2-CE2 3.49Å; D23-Y32 PolarHBondContact OD2-OH 2.94Å; S26-Y32 WeakPolarHBondContact O-CB 3.22Å; K27-Y32 HydrophobicContact CG-CE1 4.09Å; K27-Y32 HydrophobicContact CG-CE2 3.97Å; S29-Y32 WeakPolarHBondContact O-CA 3.24Å; S29-Y32 VanDerWaalsContact O-CB 3.31Å; S29-Y32 WeakPolarHBondContact O-CB 3.41Å; S29-Y32 PolarHBondContact O-N 3.06Å; S29-Y32 WeakPolarHBondContact OG-CB 3.3Å; S29-Y32 PolarHBondContact OG-N 2.75Å; S29-Y32 VanDerWaalsContact OG-N 3.13Å; Y32-H34 VanDerWaalsContact C-N 3.26Å; Y32-H34 PolarHBondContact O-N 3.25Å; Y32-Q35 CarbonylContact O-C 3.54Å; Y32-Q35 WeakPolarHBondContact O-CA 3.32Å; Y32-Q35 WeakPolarHBondContact O-CB 3.36Å; Y32-Q35 PolarHBondContact O-N 3.17Å; Y32-M36 HydrophobicContact CD1-CG 3.87Å; Y32-M36 HydrophobicContact CE1-CG 3.6Å; Y32-M36 HydrophobicContact CE1-SD 4.03Å; Y32-M36 WeakPolarHBondContact O-CG 3.44Å; Y32-M36 PolarHBondContact O-N 2.96Å
33D94.9Very high93.5Very high81 Ų8176.2 Ų76.243%0.43336%0.357SS..Hα-helixtrans-57.5-41.5177.2-57.3-22.5000111.5S29 M36 K37S29-D33 PolarHBondContact O-N 3.33Å; D33-M36 PolarHBondContact O-N 3.31Å; D33-K37 WeakPolarHBondContact O-CG 3.43Å; D33-K37 PolarHBondContact O-N 3Å
34H94.3Very high93.8Very high36 Ų3681.8 Ų81.817%0.16738%0.376CS..Hα-helixtrans-64.2-39.6174.2177.1-87.4000112.7R30 F31 Y32 R38 A433 F434 D435R30-H34 PolarHBondContact O-N 3.35Å; F31-H34 PolarHBondContact O-N 3.26Å; Y32-H34 VanDerWaalsContact C-N 3.26Å; Y32-H34 PolarHBondContact O-N 3.25Å; H34-R38 WeakPolarHBondContact O-CB 3.42Å; H34-R38 PolarHBondContact O-N 3.02Å; H34-A433 WeakPolarHBondContact CB-O 3.31Å; H34-A433 PolarHBondContact CD2-O 3.49Å; H34-F434 HydrophobicContact CB-CB 3.87Å; H34-F434 PolarHBondContact NE2-O 3.01Å; H34-D435 IonicContact CD2-OD1 2.68Å
35Q92.1Very high94Very high43 Ų4381.7 Ų81.720%0.20137%0.37CS..Hα-helixtrans-66.8-36.1174.6-67.7-53.7-41.200112.1M1 F31 Y32 R38 R39M1-Q35 HydrophobicContact CG-CG 4.44Å; F31-Q35 HydrophobicContact CD1-CG 4.11Å; F31-Q35 HydrophobicContact CE1-CG 3.74Å; F31-Q35 VanDerWaalsContact CE2-NE2 3.31Å; F31-Q35 HydrophobicContact CZ-CG 4Å; F31-Q35 WeakPolarHBondContact O-CG 3.42Å; F31-Q35 PolarHBondContact O-N 3.18Å; Y32-Q35 CarbonylContact O-C 3.54Å; Y32-Q35 WeakPolarHBondContact O-CA 3.32Å; Y32-Q35 WeakPolarHBondContact O-CB 3.36Å; Y32-Q35 PolarHBondContact O-N 3.17Å; Q35-R38 WeakPolarHBondContact O-CB 3.38Å; Q35-R38 PolarHBondContact O-N 2.87Å; Q35-R39 PolarHBondContact O-N 3.27Å
36M92.8Very high94.1Very high62 Ų6279.1 Ų79.131%0.30536%0.362SS..Hα-helixtrans-64.3-48.6175.2-66.6-58.7-7800111Y32 D33 R38 R39 E40Y32-M36 HydrophobicContact CD1-CG 3.87Å; Y32-M36 HydrophobicContact CE1-CG 3.6Å; Y32-M36 HydrophobicContact CE1-SD 4.03Å; Y32-M36 WeakPolarHBondContact O-CG 3.44Å; Y32-M36 PolarHBondContact O-N 2.96Å; D33-M36 PolarHBondContact O-N 3.31Å; M36-R38 PolarHBondContact O-N 3.42Å; M36-R39 WeakPolarHBondContact O-CA 3.41Å; M36-R39 WeakPolarHBondContact O-CB 3.46Å; M36-R39 PolarHBondContact O-N 2.92Å; M36-E40 WeakPolarHBondContact O-CG 3.32Å; M36-E40 PolarHBondContact O-N 2.81Å
37K94.1Very high94.4Very high97 Ų9784.2 Ų84.242%0.42239%0.385SS..Hα-helixtrans-55.4-38.5172.3-71176.8-176.71780112.6D33 R41D33-K37 WeakPolarHBondContact O-CG 3.43Å; D33-K37 PolarHBondContact O-N 3Å; K37-R41 WeakPolarHBondContact O-CG 3.24Å; K37-R41 PolarHBondContact O-N 3.27Å
38R92.6Very high94.6Very high110 Ų11082.5 Ų82.542%0.41538%0.382SS..Hα-helixtrans-68.4-39.7176.6-173.9-178.1176.5-165.85.7111.7H34 Q35 M36 R41 I42H34-R38 WeakPolarHBondContact O-CB 3.42Å; H34-R38 PolarHBondContact O-N 3.02Å; Q35-R38 WeakPolarHBondContact O-CB 3.38Å; Q35-R38 PolarHBondContact O-N 2.87Å; M36-R38 PolarHBondContact O-N 3.42Å; R38-R41 PolarHBondContact O-N 3.19Å; R38-I42 HydrophobicContact CG-CD1 4.41Å; R38-I42 WeakPolarHBondContact O-CG1 3.39Å; R38-I42 PolarHBondContact O-N 3.23Å; R38-I42 VanDerWaalsContact O-N 3.16Å
39R92.9Very high94.9Very high103 Ų10379.4 Ų79.439%0.38935%0.348SS..Hα-helixtrans-62.4-48.5175.6-175.8-176-67.9164.3-2.7110.9Q35 M36 R41 I42 E43Q35-R39 PolarHBondContact O-N 3.27Å; M36-R39 WeakPolarHBondContact O-CA 3.41Å; M36-R39 WeakPolarHBondContact O-CB 3.46Å; M36-R39 PolarHBondContact O-N 2.92Å; R39-R41 VanDerWaalsContact C-N 3.26Å; R39-R41 PolarHBondContact O-N 3.19Å; R39-I42 WeakPolarHBondContact O-CA 3.29Å; R39-I42 WeakPolarHBondContact O-CB 3.23Å; R39-I42 PolarHBondContact O-N 3.04Å; R39-E43 WeakPolarHBondContact CD-OE1 3.42Å; R39-E43 HydrophobicContact CG-CG 4.4Å; R39-E43 VanDerWaalsContact CG-OE1 3.28Å; R39-E43 WeakPolarHBondContact CG-OE1 3.25Å; R39-E43 PolarHBondContact O-N 2.66Å
40E95.9Very high95.1Very high98 Ų9881 Ų8146%0.45835%0.35SS..Hα-helixtrans-56.6-38.7176.3-69.9169.3-172.500112.5M36 R44M36-E40 WeakPolarHBondContact O-CG 3.32Å; M36-E40 PolarHBondContact O-N 2.81Å; E40-R44 VanDerWaalsContact O-CB 3.31Å; E40-R44 WeakPolarHBondContact O-CB 3.45Å; E40-R44 PolarHBondContact O-N 2.87Å
41R95.7Very high95.2Very high160 Ų16077.5 Ų77.560%0.60434%0.343SS*.Hα-helixtrans-64.9-38.8174.8-72.9175.2-169.7177.45.5112.3K37 R38 R39 R45K37-R41 WeakPolarHBondContact O-CG 3.24Å; K37-R41 PolarHBondContact O-N 3.27Å; R38-R41 PolarHBondContact O-N 3.19Å; R39-R41 VanDerWaalsContact C-N 3.26Å; R39-R41 PolarHBondContact O-N 3.19Å; R41-R45 WeakPolarHBondContact O-CB 3.45Å; R41-R45 PolarHBondContact O-N 3.26Å
42I94.9Very high95.4Very high29 Ų2979.8 Ų79.815%0.14935%0.354CS..Hα-helixtrans-68.8-45.9177.2-66167.1000109.9R38 R39 R44 R45 V46 V327 A330 V331R38-I42 HydrophobicContact CG-CD1 4.41Å; R38-I42 WeakPolarHBondContact O-CG1 3.39Å; R38-I42 PolarHBondContact O-N 3.23Å; R38-I42 VanDerWaalsContact O-N 3.16Å; R39-I42 WeakPolarHBondContact O-CA 3.29Å; R39-I42 WeakPolarHBondContact O-CB 3.23Å; R39-I42 PolarHBondContact O-N 3.04Å; I42-R44 PolarHBondContact O-N 2.75Å; I42-R45 WeakPolarHBondContact O-CB 3.36Å; I42-R45 PolarHBondContact O-N 2.95Å; I42-R45 VanDerWaalsContact O-N 3.14Å; I42-V46 WeakPolarHBondContact O-CG2 3.44Å; I42-V46 PolarHBondContact O-N 3.21Å; I42-V327 HydrophobicContact CD1-CB 4.45Å; I42-V327 HydrophobicContact CD1-CG1 4.05Å; I42-V327 HydrophobicContact CD1-CG2 4.17Å; I42-V327 HydrophobicContact CG1-CG1 4.19Å; I42-A330 HydrophobicContact CG2-CB 4.02Å; I42-V331 HydrophobicContact CG2-CG2 4.03Å
43E96.4Very high95.4Very high97 Ų9780.6 Ų80.645%0.45336%0.36SS..Hα-helixtrans-59.4-45.9177.5-72.8167.6-177.500111.4R39 R45 V46 Q47R39-E43 WeakPolarHBondContact CD-OE1 3.42Å; R39-E43 HydrophobicContact CG-CG 4.4Å; R39-E43 VanDerWaalsContact CG-OE1 3.28Å; R39-E43 WeakPolarHBondContact CG-OE1 3.25Å; R39-E43 PolarHBondContact O-N 2.66Å; E43-R45 VanDerWaalsContact C-N 3.31Å; E43-R45 PolarHBondContact O-N 3.45Å; E43-V46 WeakPolarHBondContact O-CB 3.44Å; E43-V46 PolarHBondContact O-N 2.9Å; E43-Q47 WeakPolarHBondContact O-CG 3.41Å; E43-Q47 PolarHBondContact O-N 3.2Å
44R97.5Very high95.4Very high146 Ų14685.7 Ų85.755%0.55137%0.373SS*.Hα-helixtrans-60.5-40.8174.7-167.4-176-46.7178.94.4112.3E40 I42 Q47 N48E40-R44 VanDerWaalsContact O-CB 3.31Å; E40-R44 WeakPolarHBondContact O-CB 3.45Å; E40-R44 PolarHBondContact O-N 2.87Å; I42-R44 PolarHBondContact O-N 2.75Å; R44-Q47 PolarHBondContact O-N 3.45Å; R44-N48 WeakPolarHBondContact O-CB 3.21Å; R44-N48 VanDerWaalsContact O-CG 3.22Å; R44-N48 PolarHBondContact O-N 3.43Å; R44-N48 PolarHBondContact O-OD1 3.16Å
45R96.7Very high95.5Very high122 Ų12292.9 Ų92.946%0.4640%0.4SS..Hα-helixtrans-62-45.2175.2-179-180177.8176.22.2111R41 I42 E43 N48 M49R41-R45 WeakPolarHBondContact O-CB 3.45Å; R41-R45 PolarHBondContact O-N 3.26Å; I42-R45 WeakPolarHBondContact O-CB 3.36Å; I42-R45 PolarHBondContact O-N 2.95Å; I42-R45 VanDerWaalsContact O-N 3.14Å; E43-R45 VanDerWaalsContact C-N 3.31Å; E43-R45 PolarHBondContact O-N 3.45Å; R45-N48 PolarHBondContact O-N 3.38Å; R45-M49 HydrophobicContact CG-SD 3.9Å; R45-M49 VanDerWaalsContact O-CG 3.25Å; R45-M49 WeakPolarHBondContact O-CG 3.43Å; R45-M49 PolarHBondContact O-N 3.44Å
46V97Very high95.6Very high14 Ų1492.4 Ų92.49%0.08540%0.399CS..Hα-helixtrans-60.2-48.1176.2168.70000110.8I42 E43 N48 M49 Q50 V331I42-V46 WeakPolarHBondContact O-CG2 3.44Å; I42-V46 PolarHBondContact O-N 3.21Å; E43-V46 WeakPolarHBondContact O-CB 3.44Å; E43-V46 PolarHBondContact O-N 2.9Å; V46-N48 VanDerWaalsContact C-N 3.31Å; V46-N48 PolarHBondContact O-N 2.9Å; V46-M49 PolarHBondContact O-N 2.91Å; V46-M49 VanDerWaalsContact O-N 3.11Å; V46-Q50 HydrophobicContact CG1-CG 4.2Å; V46-Q50 WeakPolarHBondContact O-CG 3.31Å; V46-Q50 PolarHBondContact O-N 3.47Å; V46-V331 HydrophobicContact CG2-CB 4.4Å; V46-V331 HydrophobicContact CG2-CG1 4.43Å; V46-V331 HydrophobicContact CG2-CG2 4.34Å
47Q97.4Very high95.8Very high114 Ų11492.9 Ų92.953%0.53341%0.405SS..Hα-helixtrans-58.6-42.1177.9-73.1171.9-6.800112.1E43 R44 T51E43-Q47 WeakPolarHBondContact O-CG 3.41Å; E43-Q47 PolarHBondContact O-N 3.2Å; R44-Q47 PolarHBondContact O-N 3.45Å; Q47-T51 VanDerWaalsContact O-CB 3.3Å; Q47-T51 WeakPolarHBondContact O-CB 3.32Å; Q47-T51 PolarHBondContact O-N 2.95Å; Q47-T51 PolarHBondContact O-OG1 3.24Å
48N97.2Very high95.9Very high95 Ų9596.5 Ų96.551%0.50842%0.423SS..Hα-helixtrans-62.2-44.9175.5-71.4-6.3000111.2R44 R45 V46 T51 Q52R44-N48 WeakPolarHBondContact O-CB 3.21Å; R44-N48 VanDerWaalsContact O-CG 3.22Å; R44-N48 PolarHBondContact O-N 3.43Å; R44-N48 PolarHBondContact O-OD1 3.16Å; R45-N48 PolarHBondContact O-N 3.38Å; V46-N48 VanDerWaalsContact C-N 3.31Å; V46-N48 PolarHBondContact O-N 2.9Å; N48-T51 WeakPolarHBondContact O-CB 3.39Å; N48-T51 PolarHBondContact O-N 2.86Å; N48-Q52 WeakPolarHBondContact O-CG 3.14Å; N48-Q52 PolarHBondContact O-N 3.44Å
49M97.3Very high96.1Very high8 Ų899 Ų994%0.03944%0.44CS..Hα-helixtrans-66.5-42.4179.3-67.617179.400112.1R45 V46 T51 Q52 L53 V331 L335 L353 F354R45-M49 HydrophobicContact CG-SD 3.9Å; R45-M49 VanDerWaalsContact O-CG 3.25Å; R45-M49 WeakPolarHBondContact O-CG 3.43Å; R45-M49 PolarHBondContact O-N 3.44Å; V46-M49 PolarHBondContact O-N 2.91Å; V46-M49 VanDerWaalsContact O-N 3.11Å; M49-T51 VanDerWaalsContact C-N 3.26Å; M49-T51 PolarHBondContact O-N 3.41Å; M49-Q52 WeakPolarHBondContact O-CB 3.16Å; M49-Q52 PolarHBondContact O-N 3.47Å; M49-L53 WeakPolarHBondContact O-CG 3.44Å; M49-L53 PolarHBondContact O-N 2.96Å; M49-V331 HydrophobicContact CE-CG1 4.13Å; M49-V331 HydrophobicContact SD-CG1 3.81Å; M49-L335 HydrophobicContact CB-CD2 4.25Å; M49-L335 HydrophobicContact CE-CD1 3.9Å; M49-L353 HydrophobicContact CB-CD1 4.41Å; M49-L353 HydrophobicContact CB-CD2 4.1Å; M49-L353 HydrophobicContact CE-CB 3.76Å; M49-L353 HydrophobicContact CE-CD1 4.12Å; M49-L353 HydrophobicContact CE-CG 4.43Å; M49-L353 HydrophobicContact CG-CD2 4.47Å; M49-F354 HydrophobicContact CE-CD2 3.96Å; M49-F354 HydrophobicContact CE-CE1 4.09Å; M49-F354 HydrophobicContact CE-CE2 3.35Å; M49-F354 HydrophobicContact CE-CZ 3.45Å; M49-F354 VanDerWaalsContact CE-CZ 3.45Å
50Q96.6Very high96.3Very high77 Ų7799.2 Ų99.236%0.3645%0.445SS..Hα-helixtrans-62.1-35.7172.9-72177.2-24.300111.8V46 L53 R54 G334 L335V46-Q50 HydrophobicContact CG1-CG 4.2Å; V46-Q50 WeakPolarHBondContact O-CG 3.31Å; V46-Q50 PolarHBondContact O-N 3.47Å; Q50-L53 PolarHBondContact O-N 2.83Å; Q50-R54 WeakPolarHBondContact O-CG 3.06Å; Q50-R54 PolarHBondContact O-N 2.81Å; Q50-G334 PolarHBondContact NE2-O 2.7Å; Q50-L335 HydrophobicContact CG-CD2 4.12Å
51T96.8Very high96.3Very high46 Ų4697.4 Ų97.428%0.28244%0.438SS..Hα-helixtrans-68.7-43.9175-590000111Q47 N48 M49 L53 R54 Y55Q47-T51 VanDerWaalsContact O-CB 3.3Å; Q47-T51 WeakPolarHBondContact O-CB 3.32Å; Q47-T51 PolarHBondContact O-N 2.95Å; Q47-T51 PolarHBondContact O-OG1 3.24Å; N48-T51 WeakPolarHBondContact O-CB 3.39Å; N48-T51 PolarHBondContact O-N 2.86Å; M49-T51 VanDerWaalsContact C-N 3.26Å; M49-T51 PolarHBondContact O-N 3.41Å; T51-L53 VanDerWaalsContact C-N 3.3Å; T51-L53 PolarHBondContact O-N 3.36Å; T51-R54 PolarHBondContact O-N 2.93Å; T51-R54 VanDerWaalsContact O-N 3.14Å; T51-R54 PolarHBondContact OG1-NH2 2.96Å; T51-Y55 HydrophobicContact CG2-CD2 4.04Å; T51-Y55 HydrophobicContact CG2-CE2 3.6Å; T51-Y55 WeakPolarHBondContact O-CD2 3.37Å; T51-Y55 PolarHBondContact O-N 3.45Å
52Q95.7Very high96.4Very high109 Ų10994.5 Ų94.551%0.50943%0.43SS..Hα-helixtrans-56.2-45.6172.2-72.3177.1-6000111.1N48 M49 R54 Y55 I56 L353N48-Q52 WeakPolarHBondContact O-CG 3.14Å; N48-Q52 PolarHBondContact O-N 3.44Å; M49-Q52 WeakPolarHBondContact O-CB 3.16Å; M49-Q52 PolarHBondContact O-N 3.47Å; Q52-R54 VanDerWaalsContact C-N 3.26Å; Q52-R54 PolarHBondContact O-N 3.47Å; Q52-Y55 PolarHBondContact O-N 3.43Å; Q52-I56 WeakPolarHBondContact O-CG1 3.39Å; Q52-I56 PolarHBondContact O-N 3.11Å; Q52-L353 HydrophobicContact CB-CD2 3.92Å
53L94.8Very high96.6Very high45 Ų4596 Ų9624%0.23645%0.447CS..Hα-helixtrans-57.2-37.1177.2-73.7-179000113.4M49 Q50 T51 Y55 I56 L335 Q349 L353M49-L53 WeakPolarHBondContact O-CG 3.44Å; M49-L53 PolarHBondContact O-N 2.96Å; Q50-L53 PolarHBondContact O-N 2.83Å; T51-L53 VanDerWaalsContact C-N 3.3Å; T51-L53 PolarHBondContact O-N 3.36Å; L53-Y55 VanDerWaalsContact C-N 3.27Å; L53-Y55 PolarHBondContact O-N 3.09Å; L53-I56 HydrophobicContact CD2-CD1 3.66Å; L53-I56 PolarHBondContact O-N 3Å; L53-L335 HydrophobicContact CD1-CD2 4.14Å; L53-Q349 HydrophobicContact CD2-CB 3.93Å; L53-Q349 HydrophobicContact CD2-CG 3.93Å; L53-L353 HydrophobicContact CD1-CD1 3.94Å; L53-L353 HydrophobicContact CD2-CD1 3.68Å; L53-L353 HydrophobicContact CD2-CD2 4.11Å; L53-L353 HydrophobicContact CD2-CG 3.92Å; L53-L353 HydrophobicContact CG-CD1 3.77Å; L53-L353 HydrophobicContact CG-CD2 4.14Å; L53-L353 HydrophobicContact CG-CG 4.28Å
54R95Very high96.6Very high188 Ų18891.7 Ų91.771%0.70943%0.428SS*.Hα-helixtrans-67.9-24.6178.4-74.6-177.8-78.8174.8-1.3113.7Q50 T51 Q52Q50-R54 WeakPolarHBondContact O-CG 3.06Å; Q50-R54 PolarHBondContact O-N 2.81Å; T51-R54 PolarHBondContact O-N 2.93Å; T51-R54 VanDerWaalsContact O-N 3.14Å; T51-R54 PolarHBondContact OG1-NH2 2.96Å; Q52-R54 VanDerWaalsContact C-N 3.26Å; Q52-R54 PolarHBondContact O-N 3.47Å
55Y95.6Very high96.6Very high188 Ų18887.8 Ų87.874%0.73742%0.416SS*.Hα-helixtrans-93.9-5.5178.4-70.5-69000113.6T51 Q52 L53T51-Y55 HydrophobicContact CG2-CD2 4.04Å; T51-Y55 HydrophobicContact CG2-CE2 3.6Å; T51-Y55 WeakPolarHBondContact O-CD2 3.37Å; T51-Y55 PolarHBondContact O-N 3.45Å; Q52-Y55 PolarHBondContact O-N 3.43Å; L53-Y55 VanDerWaalsContact C-N 3.27Å; L53-Y55 PolarHBondContact O-N 3.09Å
56I94.8Very high96.7Very high32 Ų3285.2 Ų85.216%0.16441%0.411CS..  trans-73.5128.5176.8-67.8167.5000108.8Q52 L53 Q60 L61 I352Q52-I56 WeakPolarHBondContact O-CG1 3.39Å; Q52-I56 PolarHBondContact O-N 3.11Å; L53-I56 HydrophobicContact CD2-CD1 3.66Å; L53-I56 PolarHBondContact O-N 3Å; I56-Q60 HydrophobicContact CG2-CB 3.91Å; I56-L61 HydrophobicContact CG2-CB 4.01Å; I56-I352 HydrophobicContact CD1-CB 4.13Å; I56-I352 HydrophobicContact CD1-CD1 3.83Å; I56-I352 HydrophobicContact CD1-CG2 3.58Å; I56-I352 HydrophobicContact CG1-CD1 4.46Å; I56-I352 HydrophobicContact CG1-CG2 4.22Å; I56-I352 HydrophobicContact CG2-CD1 3.98Å
57T96.7Very high96.8Very high72 Ų7289.3 Ų89.344%0.44243%0.428SS..  trans-76.3154.7174.970.60000110.9Q59 Q60 L61T57-Q59 PolarHBondContact O-N 2.86Å; T57-Q60 VanDerWaalsContact N-OE1 3.11Å; T57-Q60 PolarHBondContact O-N 3.16Å; T57-Q60 VanDerWaalsContact O-N 3.08Å; T57-Q60 WeakPolarHBondContact OG1-CG 3.21Å; T57-Q60 PolarHBondContact OG1-N 3.43Å; T57-Q60 VanDerWaalsContact OG1-N 3.16Å; T57-L61 PolarHBondContact O-N 3.44Å
58E96.2Very high96.8Very high173 Ų17384.2 Ų84.281%0.80840%0.404SS*.Hα-helixtrans-55.9-36.8174.2-67.8-176.6169.700111.9L61 K62E58-L61 PolarHBondContact O-N 3.41Å; E58-K62 VanDerWaalsContact O-CB 3.28Å; E58-K62 WeakPolarHBondContact O-CB 3.4Å; E58-K62 PolarHBondContact O-N 3.27Å
59Q97.1Very high96.8Very high163 Ų16382.3 Ų82.376%0.76239%0.394SS*.Hα-helixtrans-64.7-42.2176.7-169.4-179.710.700112.5T57 K62 A63T57-Q59 PolarHBondContact O-N 2.86Å; Q59-K62 PolarHBondContact O-N 3.02Å; Q59-A63 WeakPolarHBondContact O-CB 3.33Å; Q59-A63 PolarHBondContact O-N 3.18Å
60Q96.6Very high96.9Very high107 Ų10788.9 Ų88.950%0.542%0.422SS..Hα-helixtrans-65.4-42.5175.5-75.7172.7-27.100111.3I56 T57 K62 A63 A64I56-Q60 HydrophobicContact CG2-CB 3.91Å; T57-Q60 VanDerWaalsContact N-OE1 3.11Å; T57-Q60 PolarHBondContact O-N 3.16Å; T57-Q60 VanDerWaalsContact O-N 3.08Å; T57-Q60 WeakPolarHBondContact OG1-CG 3.21Å; T57-Q60 PolarHBondContact OG1-N 3.43Å; T57-Q60 VanDerWaalsContact OG1-N 3.16Å; Q60-K62 VanDerWaalsContact C-N 3.34Å; Q60-A63 PolarHBondContact O-N 2.92Å; Q60-A64 WeakPolarHBondContact O-CB 3.41Å; Q60-A64 PolarHBondContact O-N 2.95Å
61L96.8Very high96.9Very high60 Ų6087.5 Ų87.531%0.31442%0.421SS..Hα-helixtrans-63.1-43.4177.2-173.163.3000110.8I56 T57 E58 A64 E65 A348 Q349 I352I56-L61 HydrophobicContact CG2-CB 4.01Å; T57-L61 PolarHBondContact O-N 3.44Å; E58-L61 PolarHBondContact O-N 3.41Å; L61-A64 PolarHBondContact O-N 2.76Å; L61-E65 WeakPolarHBondContact O-CB 3.11Å; L61-E65 PolarHBondContact O-N 3.43Å; L61-A348 HydrophobicContact CD1-CB 3.89Å; L61-Q349 HydrophobicContact CD1-CG 3.89Å; L61-I352 HydrophobicContact CD1-CD1 4.45Å
62K97.9Very high96.9Very high99 Ų9985.7 Ų85.743%0.4341%0.411SS..Hα-helixtrans-65.3-44.3178.8-173.353177.71510112.1E58 Q59 Q60 A64 E65 D66E58-K62 VanDerWaalsContact O-CB 3.28Å; E58-K62 WeakPolarHBondContact O-CB 3.4Å; E58-K62 PolarHBondContact O-N 3.27Å; Q59-K62 PolarHBondContact O-N 3.02Å; Q60-K62 VanDerWaalsContact C-N 3.34Å; K62-A64 VanDerWaalsContact C-N 3.29Å; K62-A64 PolarHBondContact O-N 3.4Å; K62-E65 IonicContact NZ-OE2 3.45Å; K62-E65 PolarHBondContact NZ-OE2 3.47Å; K62-E65 VanDerWaalsContact NZ-OE2 3.14Å; K62-E65 WeakPolarHBondContact O-CB 3.43Å; K62-E65 PolarHBondContact O-N 2.89Å; K62-E65 VanDerWaalsContact O-N 3.16Å; K62-D66 VanDerWaalsContact CE-OD1 3.25Å; K62-D66 WeakPolarHBondContact CE-OD1 3.18Å; K62-D66 IonicContact NZ-OD1 3.58Å; K62-D66 PolarHBondContact NZ-OD1 2.78Å; K62-D66 VanDerWaalsContact O-CG 3.29Å; K62-D66 PolarHBondContact O-N 3Å
63A97.9Very high97Very high60 Ų6083.3 Ų83.350%0.49641%0.41SS..Hα-helixtrans-61.3-38.2175.100000112.4Q59 Q60 K67Q59-A63 WeakPolarHBondContact O-CB 3.33Å; Q59-A63 PolarHBondContact O-N 3.18Å; Q60-A63 PolarHBondContact O-N 2.92Å; A63-K67 WeakPolarHBondContact O-CB 3.39Å; A63-K67 PolarHBondContact O-N 2.88Å; A63-K67 VanDerWaalsContact O-N 3.13Å
64A97.6Very high97.1Very high7 Ų786.1 Ų86.16%0.05843%0.425CS..Hα-helixtrans-67.8-40.2174.300000111.8Q60 L61 K62 K67 M68 A348 I352Q60-A64 WeakPolarHBondContact O-CB 3.41Å; Q60-A64 PolarHBondContact O-N 2.95Å; L61-A64 PolarHBondContact O-N 2.76Å; K62-A64 VanDerWaalsContact C-N 3.29Å; K62-A64 PolarHBondContact O-N 3.4Å; A64-K67 PolarHBondContact O-N 3.03Å; A64-M68 WeakPolarHBondContact O-CB 3.45Å; A64-M68 VanDerWaalsContact O-CG 3.25Å; A64-M68 WeakPolarHBondContact O-CG 3.09Å; A64-M68 PolarHBondContact O-N 3.14Å; A64-A348 HydrophobicContact CB-CB 4.16Å; A64-I352 HydrophobicContact CB-CD1 3.78Å; A64-I352 HydrophobicContact CB-CG1 3.89Å
65E98Very high97.1Very high64 Ų6478.3 Ų78.330%0.29940%0.397SS..Hα-helixtrans-60.4-52.9175-172.5177.2-140.900111.3L61 K62 K67 M68 D69 R347 A348L61-E65 WeakPolarHBondContact O-CB 3.11Å; L61-E65 PolarHBondContact O-N 3.43Å; K62-E65 IonicContact NZ-OE2 3.45Å; K62-E65 PolarHBondContact NZ-OE2 3.47Å; K62-E65 VanDerWaalsContact NZ-OE2 3.14Å; K62-E65 WeakPolarHBondContact O-CB 3.43Å; K62-E65 PolarHBondContact O-N 2.89Å; K62-E65 VanDerWaalsContact O-N 3.16Å; E65-K67 PolarHBondContact O-N 3.4Å; E65-M68 CarbonylContact O-C 3.57Å; E65-M68 PolarHBondContact O-N 3.26Å; E65-D69 PolarHBondContact O-N 2.78Å; E65-R347 IonicContact OE1-NH2 2.82Å; E65-R347 PolarHBondContact OE1-NH2 3.3Å; E65-A348 HydrophobicContact CB-CB 3.87Å
66D98.3Very high97.1Very high68 Ų6871.2 Ų71.236%0.36437%0.37SS..Hα-helixtrans-60-36.5-179.4-64.2-17000111.8K62 K70K62-D66 VanDerWaalsContact CE-OD1 3.25Å; K62-D66 WeakPolarHBondContact CE-OD1 3.18Å; K62-D66 IonicContact NZ-OD1 3.58Å; K62-D66 PolarHBondContact NZ-OD1 2.78Å; K62-D66 VanDerWaalsContact O-CG 3.29Å; K62-D66 PolarHBondContact O-N 3Å; D66-K70 WeakPolarHBondContact O-CG 3.35Å; D66-K70 PolarHBondContact O-N 3.34Å; D66-K70 VanDerWaalsContact O-N 3.11Å
67K97.7Very high97.1Very high101 Ų10174.2 Ų74.244%0.43940%0.395SS..Hα-helixtrans-66.2-46.5174.2-178.2178.1177-172.60111.5A63 A64 E65 D69 K70 C71 H351A63-K67 WeakPolarHBondContact O-CB 3.39Å; A63-K67 PolarHBondContact O-N 2.88Å; A63-K67 VanDerWaalsContact O-N 3.13Å; A64-K67 PolarHBondContact O-N 3.03Å; E65-K67 PolarHBondContact O-N 3.4Å; K67-D69 VanDerWaalsContact C-N 3.29Å; K67-D69 PolarHBondContact O-N 3.09Å; K67-K70 PolarHBondContact O-N 3.45Å; K67-C71 PolarHBondContact O-N 2.86Å; K67-C71 PolarHBondContact O-SG 3.13Å; K67-C71 VanDerWaalsContact O-SG 3.4Å; K67-H351 PolarHBondContact NZ-NE2 3.19Å
68M97.9Very high96.9Very high6 Ų675.7 Ų75.73%0.0340%0.404CS..Hα-helixtrans-68.2-30.9-180-70.1-50.4-48.700112.1A64 E65 C71 A72 R347 H351 L363A64-M68 WeakPolarHBondContact O-CB 3.45Å; A64-M68 VanDerWaalsContact O-CG 3.25Å; A64-M68 WeakPolarHBondContact O-CG 3.09Å; A64-M68 PolarHBondContact O-N 3.14Å; E65-M68 CarbonylContact O-C 3.57Å; E65-M68 PolarHBondContact O-N 3.26Å; M68-C71 HydrophobicContact CE-CB 4.37Å; M68-C71 PolarHBondContact O-N 3.22Å; M68-A72 WeakPolarHBondContact O-CB 3.3Å; M68-A72 PolarHBondContact O-N 3.16Å; M68-R347 HydrophobicContact CB-CB 4.32Å; M68-R347 HydrophobicContact CB-CG 3.83Å; M68-R347 HydrophobicContact CG-CG 4.45Å; M68-H351 HydrophobicContact CG-CB 3.75Å; M68-H351 HydrophobicContact SD-CB 3.64Å; M68-H351 VanDerWaalsContact SD-CG 3.58Å; M68-L363 HydrophobicContact CE-CB 3.92Å; M68-L363 HydrophobicContact CE-CD1 4.45Å; M68-L363 HydrophobicContact CE-CD2 3.35Å; M68-L363 HydrophobicContact CE-CG 4.08Å
69D98.2Very high96.8Very high55 Ų5569.3 Ų69.329%0.29437%0.372SS..Hα-helixtrans-67.2-42173.3-73.2-15.2000112.1E65 K67 C71 A72 A73 R347E65-D69 PolarHBondContact O-N 2.78Å; K67-D69 VanDerWaalsContact C-N 3.29Å; K67-D69 PolarHBondContact O-N 3.09Å; D69-C71 VanDerWaalsContact C-N 3.33Å; D69-C71 PolarHBondContact O-N 3.3Å; D69-A72 PolarHBondContact O-N 2.97Å; D69-A73 WeakPolarHBondContact O-CB 3.04Å; D69-A73 PolarHBondContact O-N 3.05Å; D69-R347 IonicContact OD1-CZ 3.72Å; D69-R347 IonicContact OD1-NE 3.44Å; D69-R347 PolarHBondContact OD1-NE 3.39Å; D69-R347 IonicContact OD1-NH2 3.58Å; D69-R347 PolarHBondContact OD1-NH2 3.28Å; D69-R347 IonicContact OD2-NH2 3.98Å; D69-R347 PolarHBondContact OD2-NH2 3.2Å
70K98Very high96.6Very high146 Ų14665.3 Ų65.364%0.63536%0.356SS*.Hα-helixtrans-60.6-43.7170.8-71.6170.2-175.6177.10111.5D66 K67 A72 A73 N74D66-K70 WeakPolarHBondContact O-CG 3.35Å; D66-K70 PolarHBondContact O-N 3.34Å; D66-K70 VanDerWaalsContact O-N 3.11Å; K67-K70 PolarHBondContact O-N 3.45Å; K70-A72 VanDerWaalsContact C-N 3.33Å; K70-A72 PolarHBondContact O-N 2.91Å; K70-A73 PolarHBondContact O-N 3.47Å; K70-N74 WeakPolarHBondContact O-CB 3.33Å; K70-N74 PolarHBondContact O-N 3.31Å; K70-N74 PolarHBondContact O-OD1 2.84Å
71C96.8Very high96.5Very high49 Ų4962.4 Ų62.433%0.33134%0.344SS..Hα-helixtrans-62.3-40.6175-69.30000112.1K67 M68 D69 N74 L75 L363K67-C71 PolarHBondContact O-N 2.86Å; K67-C71 PolarHBondContact O-SG 3.13Å; K67-C71 VanDerWaalsContact O-SG 3.4Å; M68-C71 HydrophobicContact CE-CB 4.37Å; M68-C71 PolarHBondContact O-N 3.22Å; D69-C71 VanDerWaalsContact C-N 3.33Å; D69-C71 PolarHBondContact O-N 3.3Å; C71-N74 PolarHBondContact O-N 2.96Å; C71-L75 WeakPolarHBondContact O-CG 2.91Å; C71-L75 PolarHBondContact O-N 3.24Å; C71-L363 HydrophobicContact CB-CD2 3.81Å
72A97.2Very high96.4Very high8 Ų863.1 Ų63.17%0.06635%0.354CS..Hα-helixtrans-64.6-46.7177.200000111.1M68 D69 K70 N74 L75 E76 F344 L363 L367M68-A72 WeakPolarHBondContact O-CB 3.3Å; M68-A72 PolarHBondContact O-N 3.16Å; D69-A72 PolarHBondContact O-N 2.97Å; K70-A72 VanDerWaalsContact C-N 3.33Å; K70-A72 PolarHBondContact O-N 2.91Å; A72-N74 VanDerWaalsContact C-N 3.31Å; A72-N74 PolarHBondContact O-N 3.19Å; A72-L75 PolarHBondContact O-N 3.2Å; A72-E76 WeakPolarHBondContact O-CG 3.39Å; A72-E76 PolarHBondContact O-N 2.74Å; A72-F344 HydrophobicContact CB-CE2 4.23Å; A72-L363 HydrophobicContact CB-CD1 4.11Å; A72-L363 HydrophobicContact CB-CD2 4.15Å; A72-L367 HydrophobicContact CB-CD1 4.14Å
73A97.7Very high96.2Very high59 Ų5961.9 Ų61.949%0.48835%0.349SS..Hα-helixtrans-59.1-42176.100000111.9D69 K70 E76 S77D69-A73 WeakPolarHBondContact O-CB 3.04Å; D69-A73 PolarHBondContact O-N 3.05Å; K70-A73 PolarHBondContact O-N 3.47Å; A73-E76 PolarHBondContact O-N 2.9Å; A73-S77 WeakPolarHBondContact O-CB 3.05Å; A73-S77 PolarHBondContact O-N 2.94Å
74N96.3Very high96.2Very high104 Ų10459.8 Ų59.856%0.55633%0.33SS*.Hα-helixtrans-63.3-46.1175.5-71.3-8.1000111.7K70 C71 A72 E76 S77 T78K70-N74 WeakPolarHBondContact O-CB 3.33Å; K70-N74 PolarHBondContact O-N 3.31Å; K70-N74 PolarHBondContact O-OD1 2.84Å; C71-N74 PolarHBondContact O-N 2.96Å; A72-N74 VanDerWaalsContact C-N 3.31Å; A72-N74 PolarHBondContact O-N 3.19Å; N74-E76 VanDerWaalsContact C-N 3.33Å; N74-E76 PolarHBondContact O-N 3.23Å; N74-S77 PolarHBondContact O-N 3.49Å; N74-S77 PolarHBondContact O-OG 3.31Å; N74-T78 PolarHBondContact O-N 2.88Å; N74-T78 PolarHBondContact O-OG1 3.45Å
75L95.3Very high96.1Very high23 Ų2359.6 Ų59.612%0.1233%0.328CS..Hα-helixtrans-60.6-42.5176.4-73171.3000111.7C71 A72 S77 T78 R79 L363 R364 L367 I369C71-L75 WeakPolarHBondContact O-CG 2.91Å; C71-L75 PolarHBondContact O-N 3.24Å; A72-L75 PolarHBondContact O-N 3.2Å; L75-S77 VanDerWaalsContact C-N 3.32Å; L75-S77 PolarHBondContact O-N 3.25Å; L75-T78 CarbonylContact O-C 3.6Å; L75-T78 PolarHBondContact O-N 3.38Å; L75-T78 PolarHBondContact O-OG1 2.78Å; L75-R79 PolarHBondContact O-N 3Å; L75-R79 VanDerWaalsContact O-N 3.17Å; L75-L363 HydrophobicContact CD1-CD2 3.81Å; L75-L363 HydrophobicContact CD1-CG 3.99Å; L75-R364 HydrophobicContact CD1-CG 3.75Å; L75-R364 HydrophobicContact CD2-CG 3.97Å; L75-L367 HydrophobicContact CB-CD1 4.19Å; L75-L367 HydrophobicContact CD1-CD1 4.16Å; L75-I369 HydrophobicContact CB-CD1 3.92Å; L75-I369 WeakPolarHBondContact O-CD1 3.35Å
76E95.5Very high96.2Very high39 Ų3956.6 Ų56.618%0.18231%0.314CS..Hα-helixtrans-64.7-36.8176.2-70.6-47.3-94.500112.5A72 A73 N74 T78 R79 R306 I369A72-E76 WeakPolarHBondContact O-CG 3.39Å; A72-E76 PolarHBondContact O-N 2.74Å; A73-E76 PolarHBondContact O-N 2.9Å; N74-E76 VanDerWaalsContact C-N 3.33Å; N74-E76 PolarHBondContact O-N 3.23Å; E76-T78 PolarHBondContact O-N 3.01Å; E76-R79 VanDerWaalsContact O-CB 3.29Å; E76-R79 WeakPolarHBondContact O-CB 3.21Å; E76-R79 PolarHBondContact O-N 3Å; E76-R79 VanDerWaalsContact O-N 3.14Å; E76-R79 IonicContact OE1-CZ 2.66Å; E76-R79 IonicContact OE1-NE 3.34Å; E76-R79 PolarHBondContact OE1-NE 3.44Å; E76-R79 VanDerWaalsContact OE1-NE 3.14Å; E76-R79 IonicContact OE1-NH2 3.13Å; E76-R79 PolarHBondContact OE1-NH2 2.81Å; E76-R79 IonicContact OE2-CZ 2.89Å; E76-R79 IonicContact OE2-NE 3.83Å; E76-R79 IonicContact OE2-NH2 2.65Å; E76-R79 PolarHBondContact OE2-NH2 3.19Å; E76-R306 IonicContact OE1-CZ 3.02Å; E76-R306 IonicContact OE1-NE 3.73Å; E76-R306 PolarHBondContact OE1-NE 3.16Å; E76-R306 IonicContact OE1-NH2 2.71Å; E76-R306 PolarHBondContact OE1-NH2 2.84Å; E76-R306 VanDerWaalsContact OE1-NH2 3.16Å; E76-I369 WeakPolarHBondContact OE2-CD1 3.47Å
77S95.1Very high96.2Very high96 Ų9653.3 Ų53.367%0.67130%0.297SS*.Hα-helixtrans-65.2-24.9177.676.80000112.9A73 N74 L75A73-S77 WeakPolarHBondContact O-CB 3.05Å; A73-S77 PolarHBondContact O-N 2.94Å; N74-S77 PolarHBondContact O-N 3.49Å; N74-S77 PolarHBondContact O-OG 3.31Å; L75-S77 VanDerWaalsContact C-N 3.32Å; L75-S77 PolarHBondContact O-N 3.25Å
78T92.6Very high96.2Very high103 Ų10348.6 Ų48.663%0.63228%0.277SS*.THydrogen-bonded Turntrans-10313.5176.960.50000112.7N74 L75 E76 D80N74-T78 PolarHBondContact O-N 2.88Å; N74-T78 PolarHBondContact O-OG1 3.45Å; L75-T78 CarbonylContact O-C 3.6Å; L75-T78 PolarHBondContact O-N 3.38Å; L75-T78 PolarHBondContact O-OG1 2.78Å; E76-T78 PolarHBondContact O-N 3.01Å; T78-D80 PolarHBondContact O-N 3.26Å
79R94.2Very high96.2Very high39 Ų3949.6 Ų49.615%0.14728%0.282CS..  trans-65.4122.5178.8176.1-177.9-67.8-82.2-0.6109.5L75 E76 L81 L367 I369L75-R79 PolarHBondContact O-N 3Å; L75-R79 VanDerWaalsContact O-N 3.17Å; E76-R79 VanDerWaalsContact O-CB 3.29Å; E76-R79 WeakPolarHBondContact O-CB 3.21Å; E76-R79 PolarHBondContact O-N 3Å; E76-R79 VanDerWaalsContact O-N 3.14Å; E76-R79 IonicContact OE1-CZ 2.66Å; E76-R79 IonicContact OE1-NE 3.34Å; E76-R79 PolarHBondContact OE1-NE 3.44Å; E76-R79 VanDerWaalsContact OE1-NE 3.14Å; E76-R79 IonicContact OE1-NH2 3.13Å; E76-R79 PolarHBondContact OE1-NH2 2.81Å; E76-R79 IonicContact OE2-CZ 2.89Å; E76-R79 IonicContact OE2-NE 3.83Å; E76-R79 IonicContact OE2-NH2 2.65Å; E76-R79 PolarHBondContact OE2-NH2 3.19Å; R79-L81 HydrophobicContact CG-CD2 4.04Å; R79-L81 HydrophobicContact CG-CG 4.09Å; R79-L367 PolarHBondContact NH1-O 2.88Å; R79-L367 PolarHBondContact NH2-O 3.47Å; R79-I369 HydrophobicContact CB-CD1 4.36Å
80D93.1Very high96.3Very high79 Ų7947.1 Ų47.142%0.42227%0.269SS..  trans-104.9125.6173.8-164.6-11.7000110.8T78 S82 H83T78-D80 PolarHBondContact O-N 3.26Å; D80-S82 VanDerWaalsContact OD1-CB 3.25Å; D80-S82 WeakPolarHBondContact OD1-CB 3.33Å; D80-S82 PolarHBondContact OD1-N 3.31Å; D80-S82 PolarHBondContact OD1-OG 3.35Å; D80-S82 PolarHBondContact OD2-OG 3.39Å; D80-H83 IonicContact OD2-CD2 3.88Å; D80-H83 PolarHBondContact OD2-CD2 3.12Å; D80-H83 VanDerWaalsContact OD2-CD2 3.25Å; D80-H83 IonicContact OD2-NE2 3.51Å; D80-H83 PolarHBondContact OD2-NE2 3.39Å
81L95.3Very high96.3Very high46 Ų4640.4 Ų40.424%0.24124%0.24CC..  trans-118.37.5176.4-59.3-178.9000112R79 C282 F304 I309R79-L81 HydrophobicContact CG-CD2 4.04Å; R79-L81 HydrophobicContact CG-CG 4.09Å; L81-C282 HydrophobicContact CD2-CB 3.92Å; L81-C282 VanDerWaalsContact CD2-SG 3.54Å; L81-F304 HydrophobicContact CB-CB 4.5Å; L81-I309 HydrophobicContact CD2-CD1 3.49Å; L81-I309 VanDerWaalsContact CD2-CD1 3.49Å
82S93.8Very high96.3Very high75 Ų7538.4 Ų38.452%0.52423%0.227SC..  trans-79.1-22.4-177.369.50000113.2D80 T187D80-S82 VanDerWaalsContact OD1-CB 3.25Å; D80-S82 WeakPolarHBondContact OD1-CB 3.33Å; D80-S82 PolarHBondContact OD1-N 3.31Å; D80-S82 PolarHBondContact OD1-OG 3.35Å; D80-S82 PolarHBondContact OD2-OG 3.39Å; S82-T187 WeakPolarHBondContact O-CG2 3.32Å
83H94.4Very high96.3Very high72 Ų7238.1 Ų38.133%0.33322%0.224SC..  trans-79.8142.7-179.5-71.2-87.3000112.4D80 V85 D185 T187 C282 F304D80-H83 IonicContact OD2-CD2 3.88Å; D80-H83 PolarHBondContact OD2-CD2 3.12Å; D80-H83 VanDerWaalsContact OD2-CD2 3.25Å; D80-H83 IonicContact OD2-NE2 3.51Å; D80-H83 PolarHBondContact OD2-NE2 3.39Å; H83-V85 HydrophobicContact CB-CG2 4.18Å; H83-D185 IonicContact CE1-OD2 2.65Å; H83-D185 PolarHBondContact CE1-OD2 2.97Å; H83-D185 IonicContact CG-OD2 3.95Å; H83-D185 IonicContact ND1-OD1 3.17Å; H83-D185 IonicContact ND1-OD2 3.06Å; H83-D185 PolarHBondContact ND1-OD2 2.82Å; H83-T187 VanDerWaalsContact CA-OG1 3.27Å; H83-T187 WeakPolarHBondContact CA-OG1 3.49Å; H83-C282 WeakPolarHBondContact O-CA 3.49Å; H83-F304 WeakPolarHBondContact O-CE2 3.5Å
84T96.7Very high96.3Very high16 Ų1636.8 Ų36.810%0.09821%0.207CC..  trans-113.491170.3-44.70000109.4F86 L186 T187 I190 A257 I280 F304T84-F86 HydrophobicContact CG2-CD2 4.31Å; T84-F86 HydrophobicContact CG2-CE2 3.68Å; T84-L186 PolarHBondContact O-N 3.05Å; T84-T187 PolarHBondContact N-OG1 2.94Å; T84-I190 HydrophobicContact CG2-CD1 3.51Å; T84-A257 HydrophobicContact CG2-CB 3.97Å; T84-I280 HydrophobicContact CG2-CG2 3.9Å; T84-F304 HydrophobicContact CG2-CE2 3.88Å; T84-F304 HydrophobicContact CG2-CZ 3.61Å; T84-F304 WeakPolarHBondContact OG1-CE2 3.48Å
85V96.9Very high96.4Very high4 Ų431.9 Ų31.92%0.02418%0.181CC..EExtended strand (participates in β ladder)trans-93.5132.8-176-177.20000110.7H83 L184 I280 A281 A287 L374H83-V85 HydrophobicContact CB-CG2 4.18Å; V85-L184 CarbonylContact C-O 3.46Å; V85-L184 WeakPolarHBondContact CA-O 3.39Å; V85-I280 WeakPolarHBondContact O-CA 3.4Å; V85-A281 WeakPolarHBondContact CA-O 3.33Å; V85-A281 PolarHBondContact N-O 3.29Å; V85-A281 PolarHBondContact O-N 3.17Å; V85-A287 HydrophobicContact CB-CB 4.44Å; V85-A287 HydrophobicContact CG1-CB 4.11Å; V85-L374 HydrophobicContact CG1-CD1 4.3Å; V85-L374 HydrophobicContact CG2-CD1 4.25Å
86F98.3Very high96.6Very high0 Ų031.5 Ų31.50%018%0.181CC..EExtended strand (participates in β ladder)trans-109.3136.3176.1-77.5-131.7000109T84 Y183 L184 L186 I190 A257 I260 A261 I264 I278 G279 I280T84-F86 HydrophobicContact CG2-CD2 4.31Å; T84-F86 HydrophobicContact CG2-CE2 3.68Å; F86-Y183 WeakPolarHBondContact O-CA 3.45Å; F86-L184 HydrophobicContact CB-CB 4.28Å; F86-L184 HydrophobicContact CB-CD1 4.49Å; F86-L184 PolarHBondContact N-O 3.45Å; F86-L184 PolarHBondContact O-N 3.28Å; F86-L186 HydrophobicContact CD1-CD1 3.81Å; F86-L186 HydrophobicContact CD2-CB 4.15Å; F86-L186 HydrophobicContact CD2-CD1 3.8Å; F86-L186 HydrophobicContact CD2-CG 3.93Å; F86-L186 HydrophobicContact CE1-CD1 3.81Å; F86-L186 HydrophobicContact CE2-CB 4.1Å; F86-L186 HydrophobicContact CE2-CD1 3.83Å; F86-L186 HydrophobicContact CE2-CG 4.21Å; F86-L186 HydrophobicContact CG-CD1 3.82Å; F86-L186 HydrophobicContact CG-CG 4.21Å; F86-L186 HydrophobicContact CZ-CD1 3.84Å; F86-I190 HydrophobicContact CE2-CD1 4.23Å; F86-A257 HydrophobicContact CE2-CB 4.17Å; F86-A257 HydrophobicContact CZ-CB 3.95Å; F86-A257 VanDerWaalsContact CZ-O 3.28Å; F86-A257 WeakPolarHBondContact CZ-O 3.26Å; F86-I260 HydrophobicContact CE1-CG2 4.46Å; F86-A261 HydrophobicContact CD1-CB 4.34Å; F86-A261 HydrophobicContact CE1-CB 3.64Å; F86-A261 HydrophobicContact CZ-CB 4.48Å; F86-I264 HydrophobicContact CD1-CD1 4.26Å; F86-I264 HydrophobicContact CE1-CD1 4.36Å; F86-I278 HydrophobicContact CB-CG2 4.44Å; F86-I278 HydrophobicContact CD1-CG2 3.62Å; F86-I278 HydrophobicContact CE1-CG2 4.29Å; F86-I278 HydrophobicContact CG-CG2 4.32Å; F86-G279 CarbonylContact C-O 3.51Å; F86-G279 WeakPolarHBondContact CA-O 3.4Å; F86-I280 HydrophobicContact CD1-CG1 4.2Å; F86-I280 HydrophobicContact CD2-CG1 4.43Å; F86-I280 HydrophobicContact CD2-CG2 4.02Å; F86-I280 HydrophobicContact CE1-CD1 4.19Å; F86-I280 HydrophobicContact CE1-CG1 4Å; F86-I280 HydrophobicContact CE2-CG1 4.21Å; F86-I280 HydrophobicContact CE2-CG2 3.66Å; F86-I280 HydrophobicContact CG-CG1 4.41Å; F86-I280 HydrophobicContact CZ-CD1 4.06Å; F86-I280 HydrophobicContact CZ-CG1 3.99Å; F86-I280 HydrophobicContact CZ-CG2 4.14Å
87H98.3Very high96.7Very high0 Ų029.6 Ų29.60%017%0.172CC..EExtended strand (participates in β ladder)trans-116116.4164.4176.7-96.5000108.9D89 E181 A182 Y183 I278 G279 A287 K288 S291H87-D89 IonicContact CE1-OD2 3.05Å; H87-E181 IonicContact NE2-OE2 3.91Å; H87-A182 WeakPolarHBondContact CA-O 3.41Å; H87-Y183 HydrophobicContact CB-CD1 4.32Å; H87-Y183 HydrophobicContact CB-CE1 4.37Å; H87-Y183 AromaticContact CD2-CD1 3.8Å; H87-Y183 AromaticContact CD2-CE1 3.37Å; H87-Y183 WeakPolarHBondContact CD2-CE1 3.48Å; H87-Y183 AromaticContact CD2-CE2 3.83Å; H87-Y183 AromaticContact CD2-CZ 3.38Å; H87-Y183 AromaticContact NE2-CZ 3.84Å; H87-I278 CarbonylContact O-C 3.59Å; H87-I278 WeakPolarHBondContact O-CA 3.39Å; H87-G279 PolarHBondContact N-O 3.1Å; H87-G279 PolarHBondContact O-N 3.23Å; H87-A287 HydrophobicContact CB-CB 3.91Å; H87-K288 PolarHBondContact CE1-NZ 2.94Å; H87-K288 PolarHBondContact NE2-NZ 2.88Å; H87-S291 PolarHBondContact CE1-OG 2.9Å; H87-S291 VanDerWaalsContact ND1-CB 3.27Å; H87-S291 WeakPolarHBondContact ND1-CB 3.31Å; H87-S291 PolarHBondContact ND1-OG 2.96Å; H87-S291 WeakPolarHBondContact O-CB 3.3Å
88V98.7Very high96.8Very high2 Ų225.8 Ų25.81%0.01214%0.144CC..EExtended strand (participates in β ladder)trans-98131.8177.4-175.90000108.3L167 E181 A182 L184 C276 I278V88-L167 HydrophobicContact CB-CD1 4.38Å; V88-L167 HydrophobicContact CG1-CD1 4.44Å; V88-L167 HydrophobicContact CG2-CD1 4.39Å; V88-L167 HydrophobicContact CG2-CD2 4Å; V88-E181 CarbonylContact O-C 3.52Å; V88-E181 WeakPolarHBondContact O-CA 3.43Å; V88-A182 PolarHBondContact N-O 2.85Å; V88-A182 PolarHBondContact O-N 3.03Å; V88-L184 HydrophobicContact CG2-CD1 3.74Å; V88-C276 HydrophobicContact CG1-CB 4.03Å; V88-I278 HydrophobicContact CB-CG1 4.47Å; V88-I278 HydrophobicContact CG1-CG1 4.33Å; V88-I278 HydrophobicContact CG2-CD1 3.99Å; V88-I278 HydrophobicContact CG2-CG1 4.06Å
89D98.6Very high97Very high26 Ų2622.4 Ų22.414%0.13912%0.121CC..EExtended strand (participates in β ladder)trans-139.5117178.5-174.9-50.9000110.6H87 D180 S277 K295H87-D89 IonicContact CE1-OD2 3.05Å; D89-D180 CarbonylContact C-O 3.47Å; D89-D180 WeakPolarHBondContact CA-O 3.33Å; D89-S277 PolarHBondContact N-O 2.92Å; D89-S277 PolarHBondContact O-N 3.31Å; D89-K295 VanDerWaalsContact CB-NZ 3.31Å; D89-K295 VanDerWaalsContact CG-CE 3.48Å; D89-K295 PolarHBondContact O-NZ 3.22Å; D89-K295 WeakPolarHBondContact OD1-CE 3.41Å; D89-K295 IonicContact OD1-NZ 3.98Å; D89-K295 PolarHBondContact OD1-NZ 3.19Å; D89-K295 IonicContact OD2-NZ 2.76Å
90M98.6Very high97Very high4 Ų422.8 Ų22.82%0.0212%0.123CC..EExtended strand (participates in β ladder)trans-66.5135.6-178.4-58.5-65.2-63.300112.2A92 F93 V163 D180 V268 L274 C276M90-A92 PolarHBondContact O-N 2.61Å; M90-F93 HydrophobicContact CB-CB 3.86Å; M90-F93 HydrophobicContact CB-CD2 3.68Å; M90-F93 HydrophobicContact CB-CE2 4.45Å; M90-F93 HydrophobicContact CB-CG 3.92Å; M90-F93 HydrophobicContact CE-CD2 4.3Å; M90-F93 HydrophobicContact CE-CE2 4.3Å; M90-F93 HydrophobicContact CG-CD2 3.95Å; M90-F93 HydrophobicContact CG-CE2 4.24Å; M90-F93 HydrophobicContact CG-CG 4.39Å; M90-V163 HydrophobicContact CE-CG2 4.1Å; M90-V163 HydrophobicContact SD-CG1 4.13Å; M90-V163 HydrophobicContact SD-CG2 3.94Å; M90-D180 HydrophobicContact CB-CB 3.77Å; M90-D180 HydrophobicContact CG-CB 4.02Å; M90-D180 PolarHBondContact N-O 2.86Å; M90-V268 HydrophobicContact CE-CG1 3.84Å; M90-V268 HydrophobicContact SD-CG1 3.95Å; M90-L274 HydrophobicContact CE-CB 3.75Å; M90-L274 HydrophobicContact CE-CD1 4.19Å; M90-C276 HydrophobicContact SD-CB 3.65Å
91D97.9Very high97.1Very high4 Ų421.9 Ų21.92%0.02112%0.118CC..THydrogen-bonded Turntrans-78.4112.7-171.7-63-49000112.7F93 A96 Y123 T275 C276 S277 K295 P296 N297D91-F93 PolarHBondContact O-N 2.87Å; D91-A96 WeakPolarHBondContact O-CB 3.49Å; D91-Y123 HydrophobicContact CB-CE2 4.17Å; D91-T275 WeakPolarHBondContact CB-OG1 3.35Å; D91-T275 PolarHBondContact N-O 3.25Å; D91-T275 WeakPolarHBondContact OD2-CB 3.27Å; D91-T275 PolarHBondContact OD2-OG1 3.28Å; D91-C276 WeakPolarHBondContact OD2-CA 3.27Å; D91-C276 PolarHBondContact OD2-N 3.26Å; D91-S277 PolarHBondContact OD1-OG 3.05Å; D91-S277 PolarHBondContact OD2-OG 3.12Å; D91-K295 IonicContact OD1-NZ 3.14Å; D91-K295 PolarHBondContact OD1-NZ 2.66Å; D91-P296 HydrophobicContact CB-CB 4.07Å; D91-N297 WeakPolarHBondContact OD2-CA 3.45Å; D91-N297 PolarHBondContact OD2-N 3.1Å
92A96.7Very high97Very high7 Ų722.8 Ų22.86%0.05812%0.123CC..THydrogen-bonded Turntrans50.541.4-178.900000112.6M90 F94 A95 A96 Y123M90-A92 PolarHBondContact O-N 2.61Å; A92-F94 PolarHBondContact O-N 2.67Å; A92-F94 VanDerWaalsContact O-N 3.16Å; A92-A95 HydrophobicContact CB-CB 4.48Å; A92-A95 WeakPolarHBondContact O-CA 3.49Å; A92-A95 WeakPolarHBondContact O-CB 3.46Å; A92-A95 PolarHBondContact O-N 3.04Å; A92-A96 PolarHBondContact O-N 2.81Å; A92-Y123 HydrophobicContact CB-CD2 4.14Å; A92-Y123 HydrophobicContact CB-CE2 3.7Å
93F98.3Very high97Very high3 Ų320 Ų201%0.01310%0.103CC..Hα-helixtrans-36.5-64.9-159.6-173.8-140.5000116.5M90 D91 A95 A96 V97 Y156 I159 L179 D180 L274M90-F93 HydrophobicContact CB-CB 3.86Å; M90-F93 HydrophobicContact CB-CD2 3.68Å; M90-F93 HydrophobicContact CB-CE2 4.45Å; M90-F93 HydrophobicContact CB-CG 3.92Å; M90-F93 HydrophobicContact CE-CD2 4.3Å; M90-F93 HydrophobicContact CE-CE2 4.3Å; M90-F93 HydrophobicContact CG-CD2 3.95Å; M90-F93 HydrophobicContact CG-CE2 4.24Å; M90-F93 HydrophobicContact CG-CG 4.39Å; D91-F93 PolarHBondContact O-N 2.87Å; F93-A95 VanDerWaalsContact C-N 3.3Å; F93-A95 PolarHBondContact O-N 3.37Å; F93-A96 WeakPolarHBondContact O-CB 3.45Å; F93-A96 PolarHBondContact O-N 2.69Å; F93-V97 HydrophobicContact CD2-CG2 4.18Å; F93-V97 HydrophobicContact CE2-CG2 3.94Å; F93-V97 WeakPolarHBondContact O-CG2 3.42Å; F93-V97 PolarHBondContact O-N 3.11Å; F93-Y156 WeakPolarHBondContact CZ-O 3.47Å; F93-I159 HydrophobicContact CE2-CB 4.17Å; F93-I159 HydrophobicContact CE2-CG2 3.72Å; F93-I159 HydrophobicContact CZ-CB 4.05Å; F93-I159 HydrophobicContact CZ-CG2 4.04Å; F93-L179 HydrophobicContact CE1-CB 3.99Å; F93-D180 HydrophobicContact CB-CB 3.69Å; F93-D180 HydrophobicContact CD1-CB 3.59Å; F93-D180 HydrophobicContact CE1-CB 4.35Å; F93-D180 HydrophobicContact CG-CB 3.75Å; F93-L274 HydrophobicContact CD2-CD1 4.25Å; F93-L274 HydrophobicContact CE2-CD1 4.02Å
94F98.5Very high96.9Very high31 Ų3123.8 Ų23.814%0.13612%0.119CC..Hα-helixtrans-62.5-38.7-176-54.5-19.1000112.3A92 A96 V97 E98 V112 T120 F153 Y156 L179A92-F94 PolarHBondContact O-N 2.67Å; A92-F94 VanDerWaalsContact O-N 3.16Å; F94-A96 VanDerWaalsContact C-N 3.33Å; F94-V97 PolarHBondContact O-N 3.02Å; F94-E98 WeakPolarHBondContact O-CG 3.35Å; F94-E98 PolarHBondContact O-N 2.73Å; F94-E98 VanDerWaalsContact O-N 3.12Å; F94-V112 HydrophobicContact CB-CB 4.17Å; F94-V112 HydrophobicContact CB-CG1 4.09Å; F94-V112 HydrophobicContact CB-CG2 4.09Å; F94-T120 HydrophobicContact CB-CG2 3.81Å; F94-T120 HydrophobicContact CG-CG2 4.48Å; F94-F153 HydrophobicContact CE2-CE1 4.15Å; F94-F153 HydrophobicContact CZ-CE1 4.21Å; F94-Y156 HydrophobicContact CB-CD1 4.33Å; F94-Y156 HydrophobicContact CB-CD2 4.31Å; F94-Y156 HydrophobicContact CB-CE1 3.97Å; F94-Y156 HydrophobicContact CB-CE2 3.91Å; F94-Y156 AromaticContact CD1-CD1 3.85Å; F94-Y156 HydrophobicContact CD1-CD1 3.85Å; F94-Y156 AromaticContact CD1-CD2 3.39Å; F94-Y156 HydrophobicContact CD1-CD2 3.39Å; F94-Y156 HydrophobicContact CD1-CE1 4.32Å; F94-Y156 AromaticContact CD1-CE2 3.89Å; F94-Y156 HydrophobicContact CD1-CE2 3.89Å; F94-Y156 AromaticContact CD1-CG 3.4Å; F94-Y156 HydrophobicContact CD1-CG 3.4Å; F94-Y156 VanDerWaalsContact CD1-CG 3.4Å; F94-Y156 HydrophobicContact CD2-CD2 4.03Å; F94-Y156 AromaticContact CD2-CE2 3.9Å; F94-Y156 HydrophobicContact CD2-CE2 3.9Å; F94-Y156 AromaticContact CE1-CD2 3.58Å; F94-Y156 HydrophobicContact CE1-CD2 3.58Å; F94-Y156 HydrophobicContact CE1-CE2 4.38Å; F94-Y156 AromaticContact CE1-CG 3.72Å; F94-Y156 HydrophobicContact CE1-CG 3.72Å; F94-Y156 HydrophobicContact CE2-CD2 4.19Å; F94-Y156 HydrophobicContact CE2-CE2 4.4Å; F94-Y156 HydrophobicContact CG-CD1 4.31Å; F94-Y156 AromaticContact CG-CD2 3.65Å; F94-Y156 HydrophobicContact CG-CD2 3.65Å; F94-Y156 HydrophobicContact CG-CE1 4.32Å; F94-Y156 AromaticContact CG-CE2 3.64Å; F94-Y156 HydrophobicContact CG-CE2 3.64Å; F94-Y156 HydrophobicContact CG-CG 4.03Å; F94-Y156 AromaticContact CZ-CD2 3.98Å; F94-Y156 HydrophobicContact CZ-CD2 3.98Å; F94-L179 HydrophobicContact CE1-CD1 4.32Å; F94-L179 HydrophobicContact CZ-CD1 4.42Å
95A98.4Very high96.8Very high0 Ų023.8 Ų23.80%012%0.118CC..Hα-helixtrans-66-38.1175.600000111.3A92 F93 E98 M99 M110 V112 T120 N122A92-A95 HydrophobicContact CB-CB 4.48Å; A92-A95 WeakPolarHBondContact O-CA 3.49Å; A92-A95 WeakPolarHBondContact O-CB 3.46Å; A92-A95 PolarHBondContact O-N 3.04Å; F93-A95 VanDerWaalsContact C-N 3.3Å; F93-A95 PolarHBondContact O-N 3.37Å; A95-E98 PolarHBondContact O-N 2.87Å; A95-M99 WeakPolarHBondContact O-CB 3.48Å; A95-M99 VanDerWaalsContact O-CG 3.23Å; A95-M99 WeakPolarHBondContact O-CG 3.35Å; A95-M99 PolarHBondContact O-N 3.08Å; A95-M110 HydrophobicContact CB-SD 3.51Å; A95-M110 VanDerWaalsContact CB-SD 3.51Å; A95-V112 HydrophobicContact CB-CG2 4.25Å; A95-T120 HydrophobicContact CB-CG2 3.95Å; A95-N122 HydrophobicContact CB-CB 4.18Å
96A97.8Very high96.7Very high15 Ų1526.4 Ų26.412%0.12413%0.127CC..Hα-helixtrans-64.9-39.6176.500000112.1D91 A92 F93 F94 M99 R100 L274D91-A96 WeakPolarHBondContact O-CB 3.49Å; A92-A96 PolarHBondContact O-N 2.81Å; F93-A96 WeakPolarHBondContact O-CB 3.45Å; F93-A96 PolarHBondContact O-N 2.69Å; F94-A96 VanDerWaalsContact C-N 3.33Å; A96-M99 HydrophobicContact CB-CE 4.33Å; A96-M99 PolarHBondContact O-N 2.94Å; A96-R100 WeakPolarHBondContact O-CB 3.49Å; A96-R100 PolarHBondContact O-N 3Å; A96-L274 HydrophobicContact CB-CD2 3.93Å; A96-L274 WeakPolarHBondContact O-CD2 3.46Å
97V98Very high96.5Very high0 Ų031 Ų310%016%0.159CC..Hα-helixtrans-60.3-49.3173.1174.50000111.2F93 F94 M99 R100 D101 K155 Y156 I159 L274F93-V97 HydrophobicContact CD2-CG2 4.18Å; F93-V97 HydrophobicContact CE2-CG2 3.94Å; F93-V97 WeakPolarHBondContact O-CG2 3.42Å; F93-V97 PolarHBondContact O-N 3.11Å; F94-V97 PolarHBondContact O-N 3.02Å; V97-M99 VanDerWaalsContact C-N 3.34Å; V97-M99 PolarHBondContact O-N 3.23Å; V97-R100 WeakPolarHBondContact O-CB 3.42Å; V97-R100 PolarHBondContact O-N 3.38Å; V97-D101 PolarHBondContact O-N 3.12Å; V97-D101 VanDerWaalsContact O-N 3.09Å; V97-K155 HydrophobicContact CG1-CB 4.25Å; V97-Y156 HydrophobicContact CB-CD1 4.03Å; V97-Y156 HydrophobicContact CB-CE1 4.02Å; V97-Y156 HydrophobicContact CG1-CD1 3.95Å; V97-Y156 HydrophobicContact CG1-CE1 3.95Å; V97-Y156 HydrophobicContact CG2-CD1 4.11Å; V97-I159 HydrophobicContact CG2-CG1 4.32Å; V97-L274 HydrophobicContact CG2-CD1 3.64Å
98E98Very high96.4Very high16 Ų1633.1 Ų33.18%0.07517%0.172CC..Hα-helixtrans-66.1-36.8179.2-57.8-52.3152.100112F94 A95 R100 D101 D102 L105 M110 V112 V149 K155 Y156F94-E98 WeakPolarHBondContact O-CG 3.35Å; F94-E98 PolarHBondContact O-N 2.73Å; F94-E98 VanDerWaalsContact O-N 3.12Å; A95-E98 PolarHBondContact O-N 2.87Å; E98-R100 VanDerWaalsContact C-N 3.3Å; E98-R100 PolarHBondContact O-N 3.41Å; E98-D101 PolarHBondContact O-N 3.39Å; E98-D102 PolarHBondContact O-N 3.04Å; E98-L105 HydrophobicContact CB-CD1 4.15Å; E98-M110 HydrophobicContact CB-CE 4.23Å; E98-V112 HydrophobicContact CG-CG2 3.9Å; E98-V149 HydrophobicContact CB-CG1 4.38Å; E98-V149 HydrophobicContact CG-CG1 3.89Å; E98-K155 IonicContact OE2-NZ 3.44Å; E98-Y156 WeakPolarHBondContact OE1-CE1 3.32Å; E98-Y156 VanDerWaalsContact OE1-CZ 3.29Å; E98-Y156 PolarHBondContact OE1-OH 3.45Å
99M96.8Very high96.4Very high32 Ų3234 Ų3416%0.15818%0.178CC..Hα-helixtrans-68.1-26.9174.8-74.4-174.3-55.200113.4A95 A96 V97 D102 L105 R106 M110 N122A95-M99 WeakPolarHBondContact O-CB 3.48Å; A95-M99 VanDerWaalsContact O-CG 3.23Å; A95-M99 WeakPolarHBondContact O-CG 3.35Å; A95-M99 PolarHBondContact O-N 3.08Å; A96-M99 HydrophobicContact CB-CE 4.33Å; A96-M99 PolarHBondContact O-N 2.94Å; V97-M99 VanDerWaalsContact C-N 3.34Å; V97-M99 PolarHBondContact O-N 3.23Å; M99-D102 CarbonylContact O-C 3.57Å; M99-L105 HydrophobicContact CG-CB 3.88Å; M99-R106 HydrophobicContact CB-CG 3.91Å; M99-R106 HydrophobicContact CG-CG 4.38Å; M99-R106 PolarHBondContact O-NE 3.4Å; M99-R106 PolarHBondContact O-NH2 2.94Å; M99-M110 HydrophobicContact CG-CG 4.29Å; M99-M110 HydrophobicContact CG-SD 4.47Å; M99-M110 HydrophobicContact SD-CG 4.48Å; M99-N122 HydrophobicContact CE-CB 3.9Å; M99-N122 HydrophobicContact SD-CB 3.75Å
100R94.7Very high96.4Very high46 Ų4632.8 Ų32.817%0.17417%0.172CC..Hα-helixtrans-69.2-50.6172.3-177.3-164.467.5-179.82.1109.9A96 V97 E98 R106 T272 Q273 L274A96-R100 WeakPolarHBondContact O-CB 3.49Å; A96-R100 PolarHBondContact O-N 3Å; V97-R100 WeakPolarHBondContact O-CB 3.42Å; V97-R100 PolarHBondContact O-N 3.38Å; E98-R100 VanDerWaalsContact C-N 3.3Å; E98-R100 PolarHBondContact O-N 3.41Å; R100-R106 PolarHBondContact O-NH2 3.08Å; R100-T272 WeakPolarHBondContact CD-O 3.44Å; R100-T272 PolarHBondContact NH1-O 2.93Å; R100-Q273 HydrophobicContact CG-CB 4.03Å; R100-L274 HydrophobicContact CB-CD2 3.97Å
101D94.1Very high96.4Very high61 Ų6132.6 Ų32.633%0.32617%0.171SC..Hα-helixtrans-73.2-31.9-175-65.71.7000112.7V97 E98 K155V97-D101 PolarHBondContact O-N 3.12Å; V97-D101 VanDerWaalsContact O-N 3.09Å; E98-D101 PolarHBondContact O-N 3.39Å; D101-K155 WeakPolarHBondContact OD2-CD 3.34Å; D101-K155 WeakPolarHBondContact OD2-CE 3.39Å; D101-K155 IonicContact OD2-NZ 3.12Å; D101-K155 PolarHBondContact OD2-NZ 2.99Å
102D94.3Very high96.4Very high64 Ų6432.4 Ų32.434%0.34217%0.17SC..  trans-123.694.2169.9-177.52.9000110.6E98 M99 K104 L105E98-D102 PolarHBondContact O-N 3.04Å; M99-D102 CarbonylContact O-C 3.57Å; D102-K104 PolarHBondContact O-N 3.26Å; D102-K104 VanDerWaalsContact OD1-CB 3.32Å; D102-K104 WeakPolarHBondContact OD1-CB 3.47Å; D102-K104 WeakPolarHBondContact OD1-CG 3.49Å; D102-K104 PolarHBondContact OD1-N 3.16Å; D102-K104 VanDerWaalsContact OD1-N 3.12Å; D102-L105 HydrophobicContact CB-CD1 3.86Å; D102-L105 HydrophobicContact CB-CG 4.07Å; D102-L105 WeakPolarHBondContact O-CB 3.21Å; D102-L105 PolarHBondContact O-N 3.31Å
103P92.4Very high96.5Very high16 Ų1632.5 Ų32.510%0.10417%0.171CC..G310 helixtrans-57.9-21.2-179.1-27.135.6000115.1L105 R106 C213 I239P103-L105 PolarHBondContact O-N 2.77Å; P103-R106 WeakPolarHBondContact O-CB 3.37Å; P103-R106 PolarHBondContact O-N 3.16Å; P103-C213 HydrophobicContact CB-CB 4.3Å; P103-C213 HydrophobicContact CG-CB 3.74Å; P103-I239 HydrophobicContact CG-CD1 4.05Å; P103-I239 HydrophobicContact CG-CG2 4.12Å
104K92.3Very high96.5Very high153 Ų15335 Ų3567%0.66519%0.189SC*.G310 helixtrans-63.5-23.3176.8-60.5171.8-175171.50111.8D102 R106 S107D102-K104 PolarHBondContact O-N 3.26Å; D102-K104 VanDerWaalsContact OD1-CB 3.32Å; D102-K104 WeakPolarHBondContact OD1-CB 3.47Å; D102-K104 WeakPolarHBondContact OD1-CG 3.49Å; D102-K104 PolarHBondContact OD1-N 3.16Å; D102-K104 VanDerWaalsContact OD1-N 3.12Å; K104-R106 VanDerWaalsContact C-N 3.29Å; K104-R106 PolarHBondContact O-N 3.03Å; K104-S107 PolarHBondContact O-OG 2.9Å
105L96Very high96.3Very high15 Ų1537.8 Ų37.88%0.07921%0.209CC..G310 helixtrans-75.9-14.5179.6-61.1175.9000113.5E98 M99 D102 P103 S107 V108 M110 V147 V149E98-L105 HydrophobicContact CB-CD1 4.15Å; M99-L105 HydrophobicContact CG-CB 3.88Å; D102-L105 HydrophobicContact CB-CD1 3.86Å; D102-L105 HydrophobicContact CB-CG 4.07Å; D102-L105 WeakPolarHBondContact O-CB 3.21Å; D102-L105 PolarHBondContact O-N 3.31Å; P103-L105 PolarHBondContact O-N 2.77Å; L105-S107 VanDerWaalsContact C-N 3.33Å; L105-S107 PolarHBondContact O-N 3.01Å; L105-V108 HydrophobicContact CD2-CG2 4.37Å; L105-M110 HydrophobicContact CB-CG 4.34Å; L105-M110 HydrophobicContact CD1-CE 4.26Å; L105-V147 HydrophobicContact CD2-CB 4.47Å; L105-V147 HydrophobicContact CD2-CG1 3.91Å; L105-V149 HydrophobicContact CD1-CG2 3.99Å; L105-V149 HydrophobicContact CD2-CG2 4.39Å
106R93.8Very high96.2Very high59 Ų5942.2 Ų42.222%0.22324%0.239CC..G310 helixtrans-69.2-29.8-177.3-66.2176.1-166.3173.38.5113.2M99 R100 P103 K104 L124 S212 C213 N215M99-R106 HydrophobicContact CB-CG 3.91Å; M99-R106 HydrophobicContact CG-CG 4.38Å; M99-R106 PolarHBondContact O-NE 3.4Å; M99-R106 PolarHBondContact O-NH2 2.94Å; R100-R106 PolarHBondContact O-NH2 3.08Å; P103-R106 WeakPolarHBondContact O-CB 3.37Å; P103-R106 PolarHBondContact O-N 3.16Å; K104-R106 VanDerWaalsContact C-N 3.29Å; K104-R106 PolarHBondContact O-N 3.03Å; R106-L124 VanDerWaalsContact O-CD1 3.3Å; R106-L124 WeakPolarHBondContact O-CD1 3.4Å; R106-S212 PolarHBondContact NH1-O 3.3Å; R106-S212 VanDerWaalsContact NH1-O 3.07Å; R106-C213 PolarHBondContact NH1-O 3.34Å; R106-C213 PolarHBondContact NH2-O 2.88Å; R106-N215 PolarHBondContact NH1-OD1 2.78Å
107S94Very high96.1Very high96 Ų9645.9 Ų45.967%0.67126%0.255SS*.G310 helixtrans-95.7-2.8-17655.70000113.9K104 L105K104-S107 PolarHBondContact O-OG 2.9Å; L105-S107 VanDerWaalsContact C-N 3.33Å; L105-S107 PolarHBondContact O-N 3.01Å
108V97Very high96.1Very high46 Ų4645.9 Ų45.928%0.27926%0.255SS..SBendtrans-118.7150.1-177.2-62.70000111.5L105 M110 N122 V147L105-V108 HydrophobicContact CD2-CG2 4.37Å; V108-M110 PolarHBondContact O-N 3.11Å; V108-N122 PolarHBondContact O-ND2 3.17Å; V108-V147 HydrophobicContact CG2-CG2 4.03Å
109P98.2Very high96.1Very high21 Ų2147.5 Ų47.514%0.13627%0.268CS..  trans-63.7119.8168.826.8-32.4000109.1A125 F128 C143 D145 L146 V147P109-A125 HydrophobicContact CB-CB 3.88Å; P109-F128 HydrophobicContact CB-CE2 4.41Å; P109-C143 WeakPolarHBondContact CG-SG 3.43Å; P109-D145 HydrophobicContact CG-CB 4.42Å; P109-L146 HydrophobicContact CB-CD1 4.47Å; P109-L146 WeakPolarHBondContact O-CA 3.29Å; P109-V147 PolarHBondContact O-N 3.22Å
110M98.5Very high96.1Very high0 Ų046.7 Ų46.70%027%0.265CS..EExtended strand (participates in β ladder)trans-136.1155.3-179.378.776.259.300113.1A95 E98 M99 L105 V108 V112 S121 N122 V147 V149A95-M110 HydrophobicContact CB-SD 3.51Å; A95-M110 VanDerWaalsContact CB-SD 3.51Å; E98-M110 HydrophobicContact CB-CE 4.23Å; M99-M110 HydrophobicContact CG-CG 4.29Å; M99-M110 HydrophobicContact CG-SD 4.47Å; M99-M110 HydrophobicContact SD-CG 4.48Å; L105-M110 HydrophobicContact CB-CG 4.34Å; L105-M110 HydrophobicContact CD1-CE 4.26Å; V108-M110 PolarHBondContact O-N 3.11Å; M110-V112 HydrophobicContact CE-CG2 3.97Å; M110-S121 WeakPolarHBondContact O-CA 2.98Å; M110-N122 HydrophobicContact CG-CB 4.12Å; M110-N122 PolarHBondContact N-OD1 3.35Å; M110-N122 PolarHBondContact O-N 2.93Å; M110-N122 PolarHBondContact O-OD1 3Å; M110-N122 HydrophobicContact SD-CB 4.25Å; M110-V147 CarbonylContact C-O 3.59Å; M110-V147 WeakPolarHBondContact CA-O 3.35Å; M110-V147 HydrophobicContact CB-CB 4.08Å; M110-V149 HydrophobicContact CE-CB 3.83Å; M110-V149 HydrophobicContact CE-CG2 3.44Å; M110-V149 VanDerWaalsContact CE-CG2 3.44Å
111A98.6Very high96.2Very high0 Ų044.5 Ų44.50%026%0.257CS..EExtended strand (participates in β ladder)trans-139.7151175.900000111.4L118 T120 V130 L146 V147 I148 V149A111-L118 HydrophobicContact CB-CD1 3.92Å; A111-L118 HydrophobicContact CB-CD2 3.86Å; A111-L118 HydrophobicContact CB-CG 4.33Å; A111-T120 CarbonylContact C-O 3.32Å; A111-T120 WeakPolarHBondContact CA-O 3.49Å; A111-T120 WeakPolarHBondContact CB-O 3.43Å; A111-V130 HydrophobicContact CB-CG1 4.45Å; A111-L146 HydrophobicContact CB-CD1 4.1Å; A111-V147 PolarHBondContact N-O 3.49Å; A111-I148 CarbonylContact O-C 3.59Å; A111-I148 WeakPolarHBondContact O-CA 3.16Å; A111-V149 PolarHBondContact O-N 3.36Å
112V98.7Very high96.4Very high0 Ų041.7 Ų41.70%024%0.242CC..EExtended strand (participates in β ladder)trans-101.5130.1175.1178.60000109.1F94 A95 E98 M110 S119 T120 V149 C151 Y156F94-V112 HydrophobicContact CB-CB 4.17Å; F94-V112 HydrophobicContact CB-CG1 4.09Å; F94-V112 HydrophobicContact CB-CG2 4.09Å; A95-V112 HydrophobicContact CB-CG2 4.25Å; E98-V112 HydrophobicContact CG-CG2 3.9Å; M110-V112 HydrophobicContact CE-CG2 3.97Å; V112-S119 WeakPolarHBondContact O-CB 3.45Å; V112-S119 PolarHBondContact O-N 2.88Å; V112-T120 HydrophobicContact CB-CG2 4.28Å; V112-T120 HydrophobicContact CG2-CG2 4.48Å; V112-T120 PolarHBondContact N-O 3.31Å; V112-T120 PolarHBondContact O-N 2.98Å; V112-V149 CarbonylContact C-O 3.52Å; V112-V149 VanDerWaalsContact CA-O 3.28Å; V112-V149 WeakPolarHBondContact CA-O 3.36Å; V112-C151 HydrophobicContact CG1-CB 4.32Å; V112-Y156 WeakPolarHBondContact CG1-OH 3.47Å
113G98.2Very high96.5Very high9 Ų940.8 Ų40.89%0.09323%0.234CC..EExtended strand (participates in β ladder)trans148.3-131.5179.200000112.2M117 V149G113-M117 WeakPolarHBondContact CA-O 3.47Å; G113-V149 PolarHBondContact N-O 2.87Å
114S97.7Very high96.7Very high54 Ų5442.9 Ų42.938%0.37824%0.244SC..  trans-148.717317964.40000110.7S116 M117 G136S114-S116 PolarHBondContact O-N 2.66Å; S114-S116 VanDerWaalsContact O-N 3.11Å; S114-S116 PolarHBondContact OG-N 2.93Å; S114-M117 PolarHBondContact N-O 3.33Å; S114-M117 CarbonylContact O-C 3.19Å; S114-M117 PolarHBondContact O-N 2.85Å; S114-M117 VanDerWaalsContact O-N 3.17Å; S114-M117 PolarHBondContact OG-N 2.92Å; S114-M117 PolarHBondContact OG-O 2.82Å; S114-G136 WeakPolarHBondContact O-CA 3.38Å
115T96.1Very high96.9Very high91 Ų9135.6 Ų35.656%0.55821%0.212SC*.SBendtrans-54-29.5169.8-510000112.5G136 F137T115-G136 CarbonylContact O-C 3.32Å; T115-G136 WeakPolarHBondContact O-CA 3.43Å; T115-G136 PolarHBondContact O-N 3.26Å; T115-F137 HydrophobicContact CG2-CB 3.87Å; T115-F137 WeakPolarHBondContact O-CD1 3.49Å; T115-F137 PolarHBondContact O-N 3.4Å
116S95.2Very high96.9Very high92 Ų9235.7 Ų35.764%0.64321%0.211SC*.SBendtrans-77.7-38.3179.5-61.50000113.4S114S114-S116 PolarHBondContact O-N 2.66Å; S114-S116 VanDerWaalsContact O-N 3.11Å; S114-S116 PolarHBondContact OG-N 2.93Å
117M96.8Very high96.9Very high92 Ų9239.4 Ų39.445%0.45323%0.229SC..  trans-161134.9-176.7-167.858.363.200111.6G113 S114 A133G113-M117 WeakPolarHBondContact CA-O 3.47Å; S114-M117 PolarHBondContact N-O 3.33Å; S114-M117 CarbonylContact O-C 3.19Å; S114-M117 PolarHBondContact O-N 2.85Å; S114-M117 VanDerWaalsContact O-N 3.17Å; S114-M117 PolarHBondContact OG-N 2.92Å; S114-M117 PolarHBondContact OG-O 2.82Å; M117-A133 VanDerWaalsContact SD-CA 3.56Å
118L97.6Very high97Very high1 Ų139.7 Ų39.71%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-94.9128.8173-56.2179.7000110.6A111 V130 A133 M134 L146 I148A111-L118 HydrophobicContact CB-CD1 3.92Å; A111-L118 HydrophobicContact CB-CD2 3.86Å; A111-L118 HydrophobicContact CB-CG 4.33Å; L118-V130 HydrophobicContact CD1-CG1 3.56Å; L118-A133 PolarHBondContact O-N 2.97Å; L118-M134 WeakPolarHBondContact CB-O 3.34Å; L118-M134 WeakPolarHBondContact CG-O 3.26Å; L118-M134 PolarHBondContact N-O 2.83Å; L118-L146 HydrophobicContact CD1-CD2 4.36Å; L118-I148 HydrophobicContact CD2-CD1 4.15Å; L118-I148 HydrophobicContact CD2-CG1 4.23Å; L118-I148 HydrophobicContact CD2-CG2 4.07Å
119S97Very high96.8Very high49 Ų4937.5 Ų37.534%0.34321%0.205SC..EExtended strand (participates in β ladder)trans-77.8-44.8174-59.60000111.5V112 A132 C151V112-S119 WeakPolarHBondContact O-CB 3.45Å; V112-S119 PolarHBondContact O-N 2.88Å; S119-A132 WeakPolarHBondContact O-CB 3.38Å; S119-C151 PolarHBondContact OG-SG 3.46Å; S119-C151 VanDerWaalsContact OG-SG 3.33Å
120T97.2Very high96.7Very high15 Ų1536.5 Ų36.59%0.09220%0.199CC..EExtended strand (participates in β ladder)trans-157.2172.2175.4-162.50000110.8F94 A95 A111 V112F94-T120 HydrophobicContact CB-CG2 3.81Å; F94-T120 HydrophobicContact CG-CG2 4.48Å; A95-T120 HydrophobicContact CB-CG2 3.95Å; A111-T120 CarbonylContact C-O 3.32Å; A111-T120 WeakPolarHBondContact CA-O 3.49Å; A111-T120 WeakPolarHBondContact CB-O 3.43Å; V112-T120 HydrophobicContact CB-CG2 4.28Å; V112-T120 HydrophobicContact CG2-CG2 4.48Å; V112-T120 PolarHBondContact N-O 3.31Å; V112-T120 PolarHBondContact O-N 2.98Å
121S97.6Very high96.5Very high0 Ų038.7 Ų38.70%021%0.207CC..EExtended strand (participates in β ladder)trans-139.1147.7176.854.60000110.6M110 R126 V130 R131M110-S121 WeakPolarHBondContact O-CA 2.98Å; S121-R126 PolarHBondContact O-NE 3.31Å; S121-R126 VanDerWaalsContact O-NE 3.16Å; S121-R126 PolarHBondContact O-NH2 3.39Å; S121-R126 WeakPolarHBondContact OG-CG 3.48Å; S121-V130 PolarHBondContact OG-O 3.46Å; S121-R131 WeakPolarHBondContact OG-CA 3.48Å
122N97.7Very high96.3Very high2 Ų239.3 Ų39.31%0.01121%0.212CC..  trans-68.4163.717177.6-10000110.6A95 M99 V108 M110 L124 A125 R126A95-N122 HydrophobicContact CB-CB 4.18Å; M99-N122 HydrophobicContact CE-CB 3.9Å; M99-N122 HydrophobicContact SD-CB 3.75Å; V108-N122 PolarHBondContact O-ND2 3.17Å; M110-N122 HydrophobicContact CG-CB 4.12Å; M110-N122 PolarHBondContact N-OD1 3.35Å; M110-N122 PolarHBondContact O-N 2.93Å; M110-N122 PolarHBondContact O-OD1 3Å; M110-N122 HydrophobicContact SD-CB 4.25Å; N122-L124 PolarHBondContact O-N 3.19Å; N122-A125 PolarHBondContact O-N 3.48Å; N122-A125 VanDerWaalsContact OD1-CB 3.29Å; N122-A125 WeakPolarHBondContact OD1-CB 3.21Å; N122-A125 PolarHBondContact OD1-N 2.91Å; N122-R126 WeakPolarHBondContact O-CG 3.33Å; N122-R126 PolarHBondContact O-N 3.22Å; N122-R126 VanDerWaalsContact O-N 3.13Å
123Y96Very high96Very high46 Ų4643 Ų4318%0.1824%0.243CC..Hα-helixtrans-64.1-27.9-176.6-71.7-85.2000113.2A8 D91 A92 R126 K127 P296A8-Y123 HydrophobicContact CB-CE1 4.12Å; D91-Y123 HydrophobicContact CB-CE2 4.17Å; A92-Y123 HydrophobicContact CB-CD2 4.14Å; A92-Y123 HydrophobicContact CB-CE2 3.7Å; Y123-R126 PolarHBondContact O-N 2.84Å; Y123-K127 PolarHBondContact O-N 3Å; Y123-P296 HydrophobicContact CD1-CG 4.24Å; Y123-P296 HydrophobicContact CD2-CB 4.24Å; Y123-P296 HydrophobicContact CD2-CG 4.18Å; Y123-P296 HydrophobicContact CE1-CB 4.14Å; Y123-P296 HydrophobicContact CE1-CG 4.05Å; Y123-P296 HydrophobicContact CE2-CB 3.57Å; Y123-P296 HydrophobicContact CE2-CG 3.97Å; Y123-P296 HydrophobicContact CG-CG 4.33Å
124L96.3Very high95.8Very high59 Ų5943.3 Ų43.331%0.30924%0.242SC..Hα-helixtrans-63.6-47.6173.7-65.8178.5000111.8R106 N122 R126 K127 F128R106-L124 VanDerWaalsContact O-CD1 3.3Å; R106-L124 WeakPolarHBondContact O-CD1 3.4Å; N122-L124 PolarHBondContact O-N 3.19Å; L124-R126 VanDerWaalsContact C-N 3.3Å; L124-R126 PolarHBondContact O-N 3.19Å; L124-K127 WeakPolarHBondContact O-CB 3.41Å; L124-K127 PolarHBondContact O-N 3.23Å; L124-F128 WeakPolarHBondContact O-CD2 3.5Å
125A97.3Very high95.7Very high0 Ų041.8 Ų41.80%023%0.231CC..Hα-helixtrans-66.2-32177.500000112.5P109 N122 K127 F128 V130 L146P109-A125 HydrophobicContact CB-CB 3.88Å; N122-A125 PolarHBondContact O-N 3.48Å; N122-A125 VanDerWaalsContact OD1-CB 3.29Å; N122-A125 WeakPolarHBondContact OD1-CB 3.21Å; N122-A125 PolarHBondContact OD1-N 2.91Å; A125-K127 PolarHBondContact O-N 2.92Å; A125-F128 PolarHBondContact O-N 3.33Å; A125-V130 HydrophobicContact CB-CB 4.07Å; A125-V130 HydrophobicContact CB-CG1 4.39Å; A125-V130 WeakPolarHBondContact O-CB 3.36Å; A125-V130 PolarHBondContact O-N 3.38Å; A125-L146 HydrophobicContact CB-CD1 3.75Å
126R95.9Very high95.8Very high17 Ų1737.4 Ų37.46%0.06420%0.204CC..Hα-helixtrans-60.4-31.7176.6-72.5-176.5-164.6-173.55.8113.1A8 G9 M10 L13 S121 N122 Y123 L124 F128 G129 V130A8-R126 WeakPolarHBondContact O-CD 3.4Å; A8-R126 PolarHBondContact O-NH1 3.12Å; G9-R126 WeakPolarHBondContact O-CB 3.48Å; M10-R126 HydrophobicContact CG-CB 3.79Å; M10-R126 HydrophobicContact CG-CG 4.23Å; L13-R126 WeakPolarHBondContact CD1-O 2.94Å; S121-R126 PolarHBondContact O-NE 3.31Å; S121-R126 VanDerWaalsContact O-NE 3.16Å; S121-R126 PolarHBondContact O-NH2 3.39Å; S121-R126 WeakPolarHBondContact OG-CG 3.48Å; N122-R126 WeakPolarHBondContact O-CG 3.33Å; N122-R126 PolarHBondContact O-N 3.22Å; N122-R126 VanDerWaalsContact O-N 3.13Å; Y123-R126 PolarHBondContact O-N 2.84Å; L124-R126 VanDerWaalsContact C-N 3.3Å; L124-R126 PolarHBondContact O-N 3.19Å; R126-F128 PolarHBondContact O-N 3.11Å; R126-F128 VanDerWaalsContact O-N 3.14Å; R126-G129 PolarHBondContact O-N 2.96Å; R126-V130 WeakPolarHBondContact CA-O 3.29Å
127K94.3Very high95.8Very high138 Ų13838 Ų3860%0.620%0.195SC*.THydrogen-bonded Turntrans-62-16.8174.1-62.7178.9-179.8-1780114L13 Y123 L124 A125L13-K127 WeakPolarHBondContact CD2-O 3.4Å; Y123-K127 PolarHBondContact O-N 3Å; L124-K127 WeakPolarHBondContact O-CB 3.41Å; L124-K127 PolarHBondContact O-N 3.23Å; A125-K127 PolarHBondContact O-N 2.92Å
128F94.7Very high95.8Very high101 Ų10133.8 Ų33.844%0.44317%0.174SC..THydrogen-bonded Turntrans-98.40.8174.5-61.9-88.8000112.8P109 L124 A125 R126 V130 C143P109-F128 HydrophobicContact CB-CE2 4.41Å; L124-F128 WeakPolarHBondContact O-CD2 3.5Å; A125-F128 PolarHBondContact O-N 3.33Å; R126-F128 PolarHBondContact O-N 3.11Å; R126-F128 VanDerWaalsContact O-N 3.14Å; F128-V130 HydrophobicContact CB-CG2 4.38Å; F128-C143 HydrophobicContact CB-CB 3.89Å; F128-C143 HydrophobicContact CD1-CB 4.33Å; F128-C143 HydrophobicContact CD2-CB 4.33Å; F128-C143 HydrophobicContact CG-CB 3.94Å
129G94.4Very high95.7Very high0 Ų033.7 Ų33.70%017%0.174CC..THydrogen-bonded Turntrans90-0.1-172.800000114.6F3 R126 R131 M134F3-G129 WeakPolarHBondContact CE2-O 3.16Å; R126-G129 PolarHBondContact O-N 2.96Å; G129-R131 PolarHBondContact O-N 3.14Å; G129-M134 WeakPolarHBondContact O-CE 3.39Å
130V96Very high95.7Very high0 Ų035.7 Ų35.70%018%0.177CC..  trans-72.7125.7179.5-176.40000109.9A111 L118 S121 A125 R126 F128 L142 C143 L146A111-V130 HydrophobicContact CB-CG1 4.45Å; L118-V130 HydrophobicContact CD1-CG1 3.56Å; S121-V130 PolarHBondContact OG-O 3.46Å; A125-V130 HydrophobicContact CB-CB 4.07Å; A125-V130 HydrophobicContact CB-CG1 4.39Å; A125-V130 WeakPolarHBondContact O-CB 3.36Å; A125-V130 PolarHBondContact O-N 3.38Å; R126-V130 WeakPolarHBondContact CA-O 3.29Å; F128-V130 HydrophobicContact CB-CG2 4.38Å; V130-L142 HydrophobicContact CG2-CB 4.25Å; V130-C143 HydrophobicContact CG2-CB 4.06Å; V130-L146 HydrophobicContact CG1-CD1 4.05Å; V130-L146 HydrophobicContact CG1-CD2 3.82Å; V130-L146 HydrophobicContact CG2-CD1 4.44Å; V130-L146 HydrophobicContact CG2-CD2 4.23Å
131R94.1Very high95.7Very high46 Ų4640.1 Ų40.117%0.17420%0.195CC..  trans-148.8165.6-173.956178-95.4-140.6-6.1112.9N4 K7 M10 S121 G129 M134N4-R131 VanDerWaalsContact CA-NH1 3.3Å; N4-R131 VanDerWaalsContact CB-NH1 3.26Å; N4-R131 WeakPolarHBondContact O-CD 3.38Å; N4-R131 PolarHBondContact O-NH1 3.48Å; K7-R131 HydrophobicContact CD-CB 4.46Å; M10-R131 HydrophobicContact CE-CB 4.31Å; M10-R131 HydrophobicContact CE-CG 4.4Å; M10-R131 HydrophobicContact SD-CB 3.92Å; S121-R131 WeakPolarHBondContact OG-CA 3.48Å; G129-R131 PolarHBondContact O-N 3.14Å; R131-M134 HydrophobicContact CG-CE 4.15Å; R131-M134 WeakPolarHBondContact O-CB 3.42Å; R131-M134 PolarHBondContact O-N 3.27Å
132A94Very high95.6Very high13 Ų1341.3 Ų41.311%0.10720%0.201CC..THydrogen-bonded Turntrans-52.4148.2170.100000112.6K7 S119 M134K7-A132 VanDerWaalsContact NZ-CB 3.29Å; S119-A132 WeakPolarHBondContact O-CB 3.38Å; A132-M134 PolarHBondContact O-N 3.37Å
133A93.1Very high95.6Very high79 Ų7941.3 Ų41.365%0.65320%0.201SC*.THydrogen-bonded Turntrans64.215-176.800000114.9M117 L118M117-A133 VanDerWaalsContact SD-CA 3.56Å; L118-A133 PolarHBondContact O-N 2.97Å
134M93.9Very high95.6Very high15 Ų1543.5 Ų43.57%0.07422%0.221CC..SBendtrans-93.2140.9169-176.3176.6-79.100109.9I22 L118 G129 R131 A132 G136 I138 L142I22-M134 HydrophobicContact CD1-CE 3.88Å; L118-M134 WeakPolarHBondContact CB-O 3.34Å; L118-M134 WeakPolarHBondContact CG-O 3.26Å; L118-M134 PolarHBondContact N-O 2.83Å; G129-M134 WeakPolarHBondContact O-CE 3.39Å; R131-M134 HydrophobicContact CG-CE 4.15Å; R131-M134 WeakPolarHBondContact O-CB 3.42Å; R131-M134 PolarHBondContact O-N 3.27Å; A132-M134 PolarHBondContact O-N 3.37Å; M134-G136 PolarHBondContact O-N 2.89Å; M134-I138 HydrophobicContact CG-CB 4.18Å; M134-I138 HydrophobicContact CG-CG2 4.19Å; M134-I138 HydrophobicContact SD-CG2 4.09Å; M134-L142 HydrophobicContact CE-CD1 3.58Å; M134-L142 HydrophobicContact SD-CD1 3.66Å
135P95.6Very high95.7Very high21 Ų2146.7 Ų46.714%0.13624%0.238CC..  trans-62.6134.7169.3-20.832.6000111F137 I138 G139P135-F137 VanDerWaalsContact C-N 3.27Å; P135-F137 HydrophobicContact CB-CD1 3.66Å; P135-F137 HydrophobicContact CB-CE1 3.28Å; P135-F137 HydrophobicContact CB-CG 4.44Å; P135-F137 HydrophobicContact CB-CZ 3.8Å; P135-F137 HydrophobicContact CG-CE1 4.12Å; P135-F137 HydrophobicContact CG-CZ 4.26Å; P135-F137 PolarHBondContact O-N 3.02Å; P135-I138 HydrophobicContact CB-CD1 4.36Å; P135-I138 HydrophobicContact CB-CG1 4.18Å; P135-I138 HydrophobicContact CG-CD1 3.94Å; P135-I138 HydrophobicContact CG-CG1 4.32Å; P135-I138 WeakPolarHBondContact O-CB 3.5Å; P135-I138 PolarHBondContact O-N 3.43Å; P135-G139 PolarHBondContact O-N 3.05Å
136G96.9Very high95.7Very high0 Ų046.7 Ų46.70%024%0.238CC..Hα-helixtrans-59-35-178.200000113.8S114 T115 M134 I138 G139 K140S114-G136 WeakPolarHBondContact O-CA 3.38Å; T115-G136 CarbonylContact O-C 3.32Å; T115-G136 WeakPolarHBondContact O-CA 3.43Å; T115-G136 PolarHBondContact O-N 3.26Å; M134-G136 PolarHBondContact O-N 2.89Å; G136-I138 VanDerWaalsContact C-N 3.3Å; G136-I138 PolarHBondContact O-N 3.08Å; G136-G139 WeakPolarHBondContact O-CA 3.33Å; G136-G139 PolarHBondContact O-N 3.23Å; G136-G139 VanDerWaalsContact O-N 3.16Å; G136-K140 PolarHBondContact O-N 2.95Å
137F95.9Very high95.8Very high104 Ų10448.6 Ų48.646%0.45625%0.251SS..Hα-helixtrans-64.9-31.3174.669.8-94.3000113.2T115 P135 K141T115-F137 HydrophobicContact CG2-CB 3.87Å; T115-F137 WeakPolarHBondContact O-CD1 3.49Å; T115-F137 PolarHBondContact O-N 3.4Å; P135-F137 VanDerWaalsContact C-N 3.27Å; P135-F137 HydrophobicContact CB-CD1 3.66Å; P135-F137 HydrophobicContact CB-CE1 3.28Å; P135-F137 HydrophobicContact CB-CG 4.44Å; P135-F137 HydrophobicContact CB-CZ 3.8Å; P135-F137 HydrophobicContact CG-CE1 4.12Å; P135-F137 HydrophobicContact CG-CZ 4.26Å; P135-F137 PolarHBondContact O-N 3.02Å; F137-K141 WeakPolarHBondContact O-CG 3.28Å; F137-K141 PolarHBondContact O-N 3.39Å
138I95.7Very high96.1Very high3 Ų344 Ų442%0.01523%0.233CC..Hα-helixtrans-73.7-41172.5-61.9-174.1000109.5I22 W25 M134 P135 G136 K140 K141 L142I22-I138 HydrophobicContact CG1-CG2 4.05Å; W25-I138 HydrophobicContact CE3-CG2 4.23Å; W25-I138 HydrophobicContact CZ3-CG2 4.44Å; M134-I138 HydrophobicContact CG-CB 4.18Å; M134-I138 HydrophobicContact CG-CG2 4.19Å; M134-I138 HydrophobicContact SD-CG2 4.09Å; P135-I138 HydrophobicContact CB-CD1 4.36Å; P135-I138 HydrophobicContact CB-CG1 4.18Å; P135-I138 HydrophobicContact CG-CD1 3.94Å; P135-I138 HydrophobicContact CG-CG1 4.32Å; P135-I138 WeakPolarHBondContact O-CB 3.5Å; P135-I138 PolarHBondContact O-N 3.43Å; G136-I138 VanDerWaalsContact C-N 3.3Å; G136-I138 PolarHBondContact O-N 3.08Å; I138-K140 VanDerWaalsContact C-N 3.29Å; I138-K140 PolarHBondContact O-N 3.18Å; I138-K141 WeakPolarHBondContact O-CB 3.46Å; I138-K141 PolarHBondContact O-N 3.48Å; I138-L142 PolarHBondContact O-N 3.18Å
139G96.3Very high96.2Very high0 Ų040.3 Ų40.30%022%0.219CC..Hα-helixtrans-54.7-45.8173.900000112.2P135 G136 K141 L142 C143P135-G139 PolarHBondContact O-N 3.05Å; G136-G139 WeakPolarHBondContact O-CA 3.33Å; G136-G139 PolarHBondContact O-N 3.23Å; G136-G139 VanDerWaalsContact O-N 3.16Å; G139-K141 VanDerWaalsContact C-N 3.31Å; G139-K141 PolarHBondContact O-N 3.15Å; G139-L142 PolarHBondContact O-N 3.45Å; G139-C143 PolarHBondContact O-N 3.47Å
140K97.5Very high96.4Very high91 Ų9145 Ų4540%0.39625%0.249SC..Hα-helixtrans-62.4-31.2174-85.2-71-162.3-175.50113.9G136 I138 C143 P144 L146 I148G136-K140 PolarHBondContact O-N 2.95Å; I138-K140 VanDerWaalsContact C-N 3.29Å; I138-K140 PolarHBondContact O-N 3.18Å; K140-C143 WeakPolarHBondContact CA-O 3.32Å; K140-C143 CarbonylContact O-C 3.58Å; K140-P144 WeakPolarHBondContact CD-O 3.43Å; K140-P144 PolarHBondContact NZ-O 3.01Å; K140-P144 WeakPolarHBondContact O-CA 3.32Å; K140-P144 VanDerWaalsContact O-N 3.17Å; K140-L146 HydrophobicContact CD-CB 4.19Å; K140-L146 WeakPolarHBondContact CE-O 3.28Å; K140-L146 PolarHBondContact NZ-O 3.35Å; K140-I148 HydrophobicContact CG-CD1 4.17Å
141K96.7Very high96.5Very high108 Ų10847.1 Ų47.147%0.4726%0.263SS..Hα-helixtrans-74-33.9173.5-72.7-174.8176-169.40112.7W25 F137 I138 G139W25-K141 HydrophobicContact CB-CD 4.35Å; W25-K141 HydrophobicContact CD2-CB 4.22Å; W25-K141 HydrophobicContact CD2-CD 3.69Å; W25-K141 HydrophobicContact CE3-CB 3.83Å; W25-K141 HydrophobicContact CE3-CD 3.93Å; W25-K141 HydrophobicContact CG-CD 3.89Å; W25-K141 HydrophobicContact CH2-CB 3.66Å; W25-K141 HydrophobicContact CZ2-CB 4.08Å; W25-K141 HydrophobicContact CZ3-CB 3.53Å; W25-K141 HydrophobicContact CZ3-CD 4.48Å; F137-K141 WeakPolarHBondContact O-CG 3.28Å; F137-K141 PolarHBondContact O-N 3.39Å; I138-K141 WeakPolarHBondContact O-CB 3.46Å; I138-K141 PolarHBondContact O-N 3.48Å; G139-K141 VanDerWaalsContact C-N 3.31Å; G139-K141 PolarHBondContact O-N 3.15Å
142L95.7Very high96.7Very high25 Ų2547.8 Ų47.813%0.13127%0.271CS..Hα-helixtrans-72.4-37.1174.5-68.9175.1000112I18 I22 W25 V130 M134 I138 G139I18-L142 HydrophobicContact CG2-CD1 4.42Å; I18-L142 HydrophobicContact CG2-CD2 4.07Å; I22-L142 HydrophobicContact CD1-CD1 4.34Å; W25-L142 HydrophobicContact CH2-CD2 3.86Å; W25-L142 HydrophobicContact CH2-CG 4.39Å; W25-L142 HydrophobicContact CZ3-CD2 3.64Å; W25-L142 HydrophobicContact CZ3-CG 3.91Å; V130-L142 HydrophobicContact CG2-CB 4.25Å; M134-L142 HydrophobicContact CE-CD1 3.58Å; M134-L142 HydrophobicContact SD-CD1 3.66Å; I138-L142 PolarHBondContact O-N 3.18Å; G139-L142 PolarHBondContact O-N 3.45Å
143C96.7Very high96.7Very high2 Ų252.9 Ų52.91%0.01429%0.29CS..  trans-138.795.1-178.9-178.20000108.6P109 F128 V130 G139 K140 D145 L146P109-C143 WeakPolarHBondContact CG-SG 3.43Å; F128-C143 HydrophobicContact CB-CB 3.89Å; F128-C143 HydrophobicContact CD1-CB 4.33Å; F128-C143 HydrophobicContact CD2-CB 4.33Å; F128-C143 HydrophobicContact CG-CB 3.94Å; V130-C143 HydrophobicContact CG2-CB 4.06Å; G139-C143 PolarHBondContact O-N 3.47Å; K140-C143 WeakPolarHBondContact CA-O 3.32Å; K140-C143 CarbonylContact O-C 3.58Å; C143-D145 PolarHBondContact O-N 3.39Å; C143-L146 HydrophobicContact CB-CB 4.09Å; C143-L146 WeakPolarHBondContact O-CB 3.35Å; C143-L146 PolarHBondContact O-N 3.4Å
144P97.3Very high97Very high91 Ų9153.3 Ų53.359%0.59129%0.289SS*.THydrogen-bonded Turntrans-54.3-37.7-179.1-29.737.6000113.6K140 L146K140-P144 WeakPolarHBondContact CD-O 3.43Å; K140-P144 PolarHBondContact NZ-O 3.01Å; K140-P144 WeakPolarHBondContact O-CA 3.32Å; K140-P144 VanDerWaalsContact O-N 3.17Å; P144-L146 PolarHBondContact O-N 2.85Å
145D97.1Very high97.1Very high127 Ų12755.8 Ų55.868%0.67930%0.299SS*.THydrogen-bonded Turntrans-78.62.3-179.6-53.6-41.7000113.8P109 C143 V147P109-D145 HydrophobicContact CG-CB 4.42Å; C143-D145 PolarHBondContact O-N 3.39Å; D145-V147 PolarHBondContact O-N 3.27Å
146L98.4Very high97.3Very high0 Ų054.8 Ų54.80%029%0.293CS..  trans-59.8118.7-177.1178.171.1000111.9P109 A111 L118 A125 V130 K140 C143 P144 I148P109-L146 HydrophobicContact CB-CD1 4.47Å; P109-L146 WeakPolarHBondContact O-CA 3.29Å; A111-L146 HydrophobicContact CB-CD1 4.1Å; L118-L146 HydrophobicContact CD1-CD2 4.36Å; A125-L146 HydrophobicContact CB-CD1 3.75Å; V130-L146 HydrophobicContact CG1-CD1 4.05Å; V130-L146 HydrophobicContact CG1-CD2 3.82Å; V130-L146 HydrophobicContact CG2-CD1 4.44Å; V130-L146 HydrophobicContact CG2-CD2 4.23Å; K140-L146 HydrophobicContact CD-CB 4.19Å; K140-L146 WeakPolarHBondContact CE-O 3.28Å; K140-L146 PolarHBondContact NZ-O 3.35Å; C143-L146 HydrophobicContact CB-CB 4.09Å; C143-L146 WeakPolarHBondContact O-CB 3.35Å; C143-L146 PolarHBondContact O-N 3.4Å; P144-L146 PolarHBondContact O-N 2.85Å; L146-I148 HydrophobicContact CD2-CD1 4.43Å; L146-I148 HydrophobicContact CD2-CG1 4.16Å; L146-I148 HydrophobicContact CG-CG1 4.26Å
147V98.6Very high97.3Very high56 Ų5660.7 Ų60.734%0.33932%0.318SS..EExtended strand (participates in β ladder)trans-84.2125172.8-177.70000109.6L105 V108 P109 M110 A111 D145 V149L105-V147 HydrophobicContact CD2-CB 4.47Å; L105-V147 HydrophobicContact CD2-CG1 3.91Å; V108-V147 HydrophobicContact CG2-CG2 4.03Å; P109-V147 PolarHBondContact O-N 3.22Å; M110-V147 CarbonylContact C-O 3.59Å; M110-V147 WeakPolarHBondContact CA-O 3.35Å; M110-V147 HydrophobicContact CB-CB 4.08Å; A111-V147 PolarHBondContact N-O 3.49Å; D145-V147 PolarHBondContact O-N 3.27Å; V147-V149 HydrophobicContact CG1-CG2 4.18Å
148I98.7Very high97.4Very high42 Ų4259.1 Ų59.122%0.21532%0.317CS..EExtended strand (participates in β ladder)trans-106.3115.6177.2-58.2176.6000108.9A111 L118 K140 L146A111-I148 CarbonylContact O-C 3.59Å; A111-I148 WeakPolarHBondContact O-CA 3.16Å; L118-I148 HydrophobicContact CD2-CD1 4.15Å; L118-I148 HydrophobicContact CD2-CG1 4.23Å; L118-I148 HydrophobicContact CD2-CG2 4.07Å; K140-I148 HydrophobicContact CG-CD1 4.17Å; L146-I148 HydrophobicContact CD2-CD1 4.43Å; L146-I148 HydrophobicContact CD2-CG1 4.16Å; L146-I148 HydrophobicContact CG-CG1 4.26Å
149V98.5Very high97.5Very high24 Ų2459.3 Ų59.315%0.14532%0.318CS..EExtended strand (participates in β ladder)trans-102.4134.1179.4-178.30000109.8E98 L105 M110 A111 V112 G113 V147E98-V149 HydrophobicContact CB-CG1 4.38Å; E98-V149 HydrophobicContact CG-CG1 3.89Å; L105-V149 HydrophobicContact CD1-CG2 3.99Å; L105-V149 HydrophobicContact CD2-CG2 4.39Å; M110-V149 HydrophobicContact CE-CB 3.83Å; M110-V149 HydrophobicContact CE-CG2 3.44Å; M110-V149 VanDerWaalsContact CE-CG2 3.44Å; A111-V149 PolarHBondContact O-N 3.36Å; V112-V149 CarbonylContact C-O 3.52Å; V112-V149 VanDerWaalsContact CA-O 3.28Å; V112-V149 WeakPolarHBondContact CA-O 3.36Å; G113-V149 PolarHBondContact N-O 2.87Å; V147-V149 HydrophobicContact CG1-CG2 4.18Å
150P98.3Very high97.6Very high97 Ų9759.4 Ų59.463%0.6332%0.319SS*.PPolyproline II helixtrans-61.1148.8175.3-23.634.6000113.2
151C97.3Very high97.7Very high45 Ų4558.9 Ų58.930%0.30432%0.32SS..PPolyproline II helixtrans-66.1137.6175.1-60.80000112.1V112 S119 F153 Y156V112-C151 HydrophobicContact CG1-CB 4.32Å; S119-C151 PolarHBondContact OG-SG 3.46Å; S119-C151 VanDerWaalsContact OG-SG 3.33Å; C151-F153 HydrophobicContact CB-CD2 4.13Å; C151-F153 HydrophobicContact CB-CE2 3.72Å; C151-F153 HydrophobicContact CB-CZ 4.23Å; C151-Y156 HydrophobicContact CB-CE2 4.28Å
152N97.9Very high97.7Very high61 Ų6157.6 Ų57.633%0.32632%0.316SS..  trans-122.783.7168.2-167.3-33.1000111.9S154 K155 Y156N152-S154 PolarHBondContact O-N 3.31Å; N152-S154 PolarHBondContact OD1-N 2.89Å; N152-K155 HydrophobicContact CB-CB 4.37Å; N152-K155 HydrophobicContact CB-CD 3.98Å; N152-K155 HydrophobicContact CB-CG 4.21Å; N152-K155 WeakPolarHBondContact ND2-CE 3.24Å; N152-K155 PolarHBondContact O-N 2.89Å; N152-K155 PolarHBondContact OD1-N 2.93Å; N152-Y156 VanDerWaalsContact C-CE2 3.43Å; N152-Y156 VanDerWaalsContact N-CE2 3.31Å; N152-Y156 VanDerWaalsContact N-CZ 3.28Å; N152-Y156 PolarHBondContact N-OH 2.78Å; N152-Y156 WeakPolarHBondContact O-CD1 3.45Å; N152-Y156 VanDerWaalsContact O-CD2 3.24Å; N152-Y156 WeakPolarHBondContact O-CD2 3.42Å; N152-Y156 WeakPolarHBondContact O-CE2 3.21Å; N152-Y156 VanDerWaalsContact O-CG 3.26Å; N152-Y156 PolarHBondContact O-N 3.02Å
153F95.6Very high97.9Very high119 Ų11956.8 Ų56.852%0.52231%0.312SS..Hα-helixtrans-64.3-22.9-176-72-75.8000114.7F94 C151 Y156 K157F94-F153 HydrophobicContact CE2-CE1 4.15Å; F94-F153 HydrophobicContact CZ-CE1 4.21Å; C151-F153 HydrophobicContact CB-CD2 4.13Å; C151-F153 HydrophobicContact CB-CE2 3.72Å; C151-F153 HydrophobicContact CB-CZ 4.23Å; F153-Y156 HydrophobicContact CD1-CD2 4.02Å; F153-Y156 HydrophobicContact CG-CD2 4.41Å; F153-K157 WeakPolarHBondContact O-CB 3.45Å; F153-K157 PolarHBondContact O-N 2.71Å
154S97.6Very high97.9Very high88 Ų8859.3 Ų59.362%0.61532%0.324SS*.Hα-helixtrans-66.1-47.7175.1-167.80000110.3N152 Y156 K157 T158N152-S154 PolarHBondContact O-N 3.31Å; N152-S154 PolarHBondContact OD1-N 2.89Å; S154-Y156 PolarHBondContact O-N 3.28Å; S154-K157 PolarHBondContact O-N 3.06Å; S154-T158 PolarHBondContact O-N 3.37Å; S154-T158 PolarHBondContact O-OG1 2.65Å
155K97.4Very high98Very high68 Ų6857.3 Ų57.330%0.29632%0.315SS..Hα-helixtrans-58.6-48.5175.6-68.4-179178-167.70111.2V97 E98 D101 N152 K157 T158 I159V97-K155 HydrophobicContact CG1-CB 4.25Å; E98-K155 IonicContact OE2-NZ 3.44Å; D101-K155 WeakPolarHBondContact OD2-CD 3.34Å; D101-K155 WeakPolarHBondContact OD2-CE 3.39Å; D101-K155 IonicContact OD2-NZ 3.12Å; D101-K155 PolarHBondContact OD2-NZ 2.99Å; N152-K155 HydrophobicContact CB-CB 4.37Å; N152-K155 HydrophobicContact CB-CD 3.98Å; N152-K155 HydrophobicContact CB-CG 4.21Å; N152-K155 WeakPolarHBondContact ND2-CE 3.24Å; N152-K155 PolarHBondContact O-N 2.89Å; N152-K155 PolarHBondContact OD1-N 2.93Å; K155-K157 VanDerWaalsContact C-N 3.3Å; K155-K157 PolarHBondContact O-N 2.95Å; K155-T158 PolarHBondContact O-N 2.67Å; K155-I159 WeakPolarHBondContact O-CG1 3.46Å; K155-I159 PolarHBondContact O-N 3.42Å; K155-I159 VanDerWaalsContact O-N 3.08Å
156Y98.5Very high98Very high0 Ų052 Ų520%029%0.287CS..Hα-helixtrans-62.5-38.9-176.8-48.3-30.4000112F93 F94 V97 E98 V112 C151 N152 F153 S154 I159 S160F93-Y156 WeakPolarHBondContact CZ-O 3.47Å; F94-Y156 HydrophobicContact CB-CD1 4.33Å; F94-Y156 HydrophobicContact CB-CD2 4.31Å; F94-Y156 HydrophobicContact CB-CE1 3.97Å; F94-Y156 HydrophobicContact CB-CE2 3.91Å; F94-Y156 AromaticContact CD1-CD1 3.85Å; F94-Y156 HydrophobicContact CD1-CD1 3.85Å; F94-Y156 AromaticContact CD1-CD2 3.39Å; F94-Y156 HydrophobicContact CD1-CD2 3.39Å; F94-Y156 HydrophobicContact CD1-CE1 4.32Å; F94-Y156 AromaticContact CD1-CE2 3.89Å; F94-Y156 HydrophobicContact CD1-CE2 3.89Å; F94-Y156 AromaticContact CD1-CG 3.4Å; F94-Y156 HydrophobicContact CD1-CG 3.4Å; F94-Y156 VanDerWaalsContact CD1-CG 3.4Å; F94-Y156 HydrophobicContact CD2-CD2 4.03Å; F94-Y156 AromaticContact CD2-CE2 3.9Å; F94-Y156 HydrophobicContact CD2-CE2 3.9Å; F94-Y156 AromaticContact CE1-CD2 3.58Å; F94-Y156 HydrophobicContact CE1-CD2 3.58Å; F94-Y156 HydrophobicContact CE1-CE2 4.38Å; F94-Y156 AromaticContact CE1-CG 3.72Å; F94-Y156 HydrophobicContact CE1-CG 3.72Å; F94-Y156 HydrophobicContact CE2-CD2 4.19Å; F94-Y156 HydrophobicContact CE2-CE2 4.4Å; F94-Y156 HydrophobicContact CG-CD1 4.31Å; F94-Y156 AromaticContact CG-CD2 3.65Å; F94-Y156 HydrophobicContact CG-CD2 3.65Å; F94-Y156 HydrophobicContact CG-CE1 4.32Å; F94-Y156 AromaticContact CG-CE2 3.64Å; F94-Y156 HydrophobicContact CG-CE2 3.64Å; F94-Y156 HydrophobicContact CG-CG 4.03Å; F94-Y156 AromaticContact CZ-CD2 3.98Å; F94-Y156 HydrophobicContact CZ-CD2 3.98Å; V97-Y156 HydrophobicContact CB-CD1 4.03Å; V97-Y156 HydrophobicContact CB-CE1 4.02Å; V97-Y156 HydrophobicContact CG1-CD1 3.95Å; V97-Y156 HydrophobicContact CG1-CE1 3.95Å; V97-Y156 HydrophobicContact CG2-CD1 4.11Å; E98-Y156 WeakPolarHBondContact OE1-CE1 3.32Å; E98-Y156 VanDerWaalsContact OE1-CZ 3.29Å; E98-Y156 PolarHBondContact OE1-OH 3.45Å; V112-Y156 WeakPolarHBondContact CG1-OH 3.47Å; C151-Y156 HydrophobicContact CB-CE2 4.28Å; N152-Y156 VanDerWaalsContact C-CE2 3.43Å; N152-Y156 VanDerWaalsContact N-CE2 3.31Å; N152-Y156 VanDerWaalsContact N-CZ 3.28Å; N152-Y156 PolarHBondContact N-OH 2.78Å; N152-Y156 WeakPolarHBondContact O-CD1 3.45Å; N152-Y156 VanDerWaalsContact O-CD2 3.24Å; N152-Y156 WeakPolarHBondContact O-CD2 3.42Å; N152-Y156 WeakPolarHBondContact O-CE2 3.21Å; N152-Y156 VanDerWaalsContact O-CG 3.26Å; N152-Y156 PolarHBondContact O-N 3.02Å; F153-Y156 HydrophobicContact CD1-CD2 4.02Å; F153-Y156 HydrophobicContact CG-CD2 4.41Å; S154-Y156 PolarHBondContact O-N 3.28Å; Y156-I159 PolarHBondContact O-N 3.17Å; Y156-S160 VanDerWaalsContact O-CB 3.3Å; Y156-S160 WeakPolarHBondContact O-CB 3.3Å; Y156-S160 PolarHBondContact O-N 3.12Å
157K97.8Very high98Very high123 Ų12352.1 Ų52.154%0.53529%0.287SS..Hα-helixtrans-66.9-41.5175.9-169.4178.7-178.9-169.50112.2F153 S154 K155 I159 S160 N161F153-K157 WeakPolarHBondContact O-CB 3.45Å; F153-K157 PolarHBondContact O-N 2.71Å; S154-K157 PolarHBondContact O-N 3.06Å; K155-K157 VanDerWaalsContact C-N 3.3Å; K155-K157 PolarHBondContact O-N 2.95Å; K157-I159 VanDerWaalsContact C-N 3.32Å; K157-I159 PolarHBondContact O-N 2.9Å; K157-S160 WeakPolarHBondContact O-CB 3.3Å; K157-S160 PolarHBondContact O-N 2.95Å; K157-N161 VanDerWaalsContact O-CG 3.24Å; K157-N161 PolarHBondContact O-N 3.45Å; K157-N161 PolarHBondContact O-OD1 3.26Å
158T98.2Very high98Very high72 Ų7253.5 Ų53.544%0.44229%0.29SS..Hα-helixtrans-58.7-45.6176.2-62.10000111.4S154 K155 N161 Q162S154-T158 PolarHBondContact O-N 3.37Å; S154-T158 PolarHBondContact O-OG1 2.65Å; K155-T158 PolarHBondContact O-N 2.67Å; T158-N161 PolarHBondContact O-N 2.83Å; T158-Q162 WeakPolarHBondContact O-CG 3.5Å; T158-Q162 PolarHBondContact O-N 2.89Å
159I98.3Very high97.9Very high6 Ų656.9 Ų56.93%0.03130%0.304CS..Hα-helixtrans-68.7-40.8178.5-57.6-50.3000111.7F93 V97 K155 Y156 K157 N161 Q162 V163 T272 L274F93-I159 HydrophobicContact CE2-CB 4.17Å; F93-I159 HydrophobicContact CE2-CG2 3.72Å; F93-I159 HydrophobicContact CZ-CB 4.05Å; F93-I159 HydrophobicContact CZ-CG2 4.04Å; V97-I159 HydrophobicContact CG2-CG1 4.32Å; K155-I159 WeakPolarHBondContact O-CG1 3.46Å; K155-I159 PolarHBondContact O-N 3.42Å; K155-I159 VanDerWaalsContact O-N 3.08Å; Y156-I159 PolarHBondContact O-N 3.17Å; K157-I159 VanDerWaalsContact C-N 3.32Å; K157-I159 PolarHBondContact O-N 2.9Å; I159-N161 VanDerWaalsContact C-N 3.31Å; I159-N161 PolarHBondContact O-N 3.36Å; I159-Q162 WeakPolarHBondContact O-CB 3.49Å; I159-Q162 PolarHBondContact O-N 3.21Å; I159-Q162 VanDerWaalsContact O-N 3.12Å; I159-V163 HydrophobicContact CG2-CG2 4.48Å; I159-V163 WeakPolarHBondContact O-CG2 3.35Å; I159-V163 PolarHBondContact O-N 3.13Å; I159-T272 HydrophobicContact CG2-CG2 4.05Å; I159-L274 HydrophobicContact CG2-CD1 3.72Å
160S98.4Very high97.9Very high3 Ų356.1 Ų56.12%0.02130%0.299CS..Hα-helixtrans-55.1-47.1174.7-176.80000111.6Y156 K157 Q162 V163 E164 L179Y156-S160 VanDerWaalsContact O-CB 3.3Å; Y156-S160 WeakPolarHBondContact O-CB 3.3Å; Y156-S160 PolarHBondContact O-N 3.12Å; K157-S160 WeakPolarHBondContact O-CB 3.3Å; K157-S160 PolarHBondContact O-N 2.95Å; S160-Q162 VanDerWaalsContact C-N 3.32Å; S160-Q162 PolarHBondContact O-N 3.44Å; S160-V163 PolarHBondContact O-N 3.48Å; S160-E164 WeakPolarHBondContact O-CB 3.26Å; S160-E164 PolarHBondContact O-N 2.68Å; S160-L179 WeakPolarHBondContact CB-O 3.44Å; S160-L179 WeakPolarHBondContact OG-CA 3.19Å; S160-L179 PolarHBondContact OG-O 3.46Å
161N98.2Very high97.8Very high79 Ų7951.9 Ų51.942%0.42227%0.271SS..Hα-helixtrans-62.8-35.9177.3-68.21.7000112.9K157 T158 I159 A165K157-N161 VanDerWaalsContact O-CG 3.24Å; K157-N161 PolarHBondContact O-N 3.45Å; K157-N161 PolarHBondContact O-OD1 3.26Å; T158-N161 PolarHBondContact O-N 2.83Å; I159-N161 VanDerWaalsContact C-N 3.31Å; I159-N161 PolarHBondContact O-N 3.36Å; N161-A165 WeakPolarHBondContact O-CB 3.49Å; N161-A165 PolarHBondContact O-N 3.35Å
162Q98.1Very high97.6Very high82 Ų8254.9 Ų54.938%0.38329%0.29SS..Hα-helixtrans-66.4-42.9176-72.8174.5-10.500111.4T158 I159 S160 A165 I166 T272T158-Q162 WeakPolarHBondContact O-CG 3.5Å; T158-Q162 PolarHBondContact O-N 2.89Å; I159-Q162 WeakPolarHBondContact O-CB 3.49Å; I159-Q162 PolarHBondContact O-N 3.21Å; I159-Q162 VanDerWaalsContact O-N 3.12Å; S160-Q162 VanDerWaalsContact C-N 3.32Å; S160-Q162 PolarHBondContact O-N 3.44Å; Q162-A165 PolarHBondContact O-N 2.88Å; Q162-I166 WeakPolarHBondContact O-CG1 3.46Å; Q162-I166 PolarHBondContact O-N 3.4Å; Q162-T272 HydrophobicContact CB-CG2 4.45Å
163V98.5Very high97.3Very high7 Ų755.6 Ų55.64%0.04230%0.297CS..Hα-helixtrans-64.5-48175.8175.40000110.2M90 I159 S160 A165 I166 L167 V268 T272M90-V163 HydrophobicContact CE-CG2 4.1Å; M90-V163 HydrophobicContact SD-CG1 4.13Å; M90-V163 HydrophobicContact SD-CG2 3.94Å; I159-V163 HydrophobicContact CG2-CG2 4.48Å; I159-V163 WeakPolarHBondContact O-CG2 3.35Å; I159-V163 PolarHBondContact O-N 3.13Å; S160-V163 PolarHBondContact O-N 3.48Å; V163-A165 VanDerWaalsContact C-N 3.3Å; V163-A165 PolarHBondContact O-N 3.22Å; V163-I166 WeakPolarHBondContact O-CB 3.47Å; V163-I166 PolarHBondContact O-N 3.13Å; V163-I166 VanDerWaalsContact O-N 3.11Å; V163-L167 HydrophobicContact CG1-CD1 3.85Å; V163-L167 HydrophobicContact CG1-CG 4.15Å; V163-L167 VanDerWaalsContact O-CG 3.3Å; V163-L167 WeakPolarHBondContact O-CG 3.33Å; V163-L167 PolarHBondContact O-N 2.91Å; V163-V268 HydrophobicContact CG1-CG2 4.12Å; V163-V268 HydrophobicContact CG2-CG1 4.08Å; V163-T272 HydrophobicContact CG2-CG2 3.92Å
164E98.2Very high97.2Very high56 Ų5651 Ų5126%0.26228%0.277SS..Hα-helixtrans-54.4-44.9176.7-176.9177.5-173.200111.7S160 I166 L167 Q168 L174 M176S160-E164 WeakPolarHBondContact O-CB 3.26Å; S160-E164 PolarHBondContact O-N 2.68Å; E164-I166 VanDerWaalsContact C-N 3.34Å; E164-I166 PolarHBondContact O-N 2.94Å; E164-L167 PolarHBondContact O-N 2.76Å; E164-L167 VanDerWaalsContact O-N 3.14Å; E164-Q168 HydrophobicContact CG-CG 4.36Å; E164-Q168 WeakPolarHBondContact O-CB 3.43Å; E164-Q168 VanDerWaalsContact O-CG 3.32Å; E164-Q168 WeakPolarHBondContact O-CG 3.32Å; E164-Q168 PolarHBondContact O-N 3.48Å; E164-Q168 PolarHBondContact OE1-NE2 2.87Å; E164-L174 HydrophobicContact CG-CD1 4.47Å; E164-M176 HydrophobicContact CB-CE 4.45Å; E164-M176 HydrophobicContact CB-SD 4.13Å; E164-M176 HydrophobicContact CG-CG 4.16Å; E164-M176 HydrophobicContact CG-SD 3.96Å
165A98.3Very high96.9Very high49 Ų4948.3 Ų48.341%0.40526%0.26SS..Hα-helixtrans-60.1-40.6177.700000112.9N161 Q162 V163N161-A165 WeakPolarHBondContact O-CB 3.49Å; N161-A165 PolarHBondContact O-N 3.35Å; Q162-A165 PolarHBondContact O-N 2.88Å; V163-A165 VanDerWaalsContact C-N 3.3Å; V163-A165 PolarHBondContact O-N 3.22Å
166I98.4Very high96.8Very high16 Ų1647.9 Ų47.98%0.08226%0.26CS..Hα-helixtrans-64.8-44.9174.7-65.7166000110.2Q162 V163 E164 Q168 E169 Y170 R267 V268 A271Q162-I166 WeakPolarHBondContact O-CG1 3.46Å; Q162-I166 PolarHBondContact O-N 3.4Å; V163-I166 WeakPolarHBondContact O-CB 3.47Å; V163-I166 PolarHBondContact O-N 3.13Å; V163-I166 VanDerWaalsContact O-N 3.11Å; E164-I166 VanDerWaalsContact C-N 3.34Å; E164-I166 PolarHBondContact O-N 2.94Å; I166-Q168 VanDerWaalsContact C-N 3.32Å; I166-Q168 PolarHBondContact O-N 2.72Å; I166-E169 WeakPolarHBondContact O-CB 3.41Å; I166-E169 PolarHBondContact O-N 3.36Å; I166-Y170 HydrophobicContact CG2-CE2 4.19Å; I166-Y170 VanDerWaalsContact O-CD2 3.26Å; I166-Y170 WeakPolarHBondContact O-CD2 3.28Å; I166-R267 HydrophobicContact CG2-CB 4Å; I166-V268 HydrophobicContact CD1-CG2 4.44Å; I166-A271 HydrophobicContact CD1-CB 3.58Å
167L98.5Very high96.4Very high1 Ų150 Ų501%0.00528%0.282CS..Hα-helixtrans-66.2-34.2-178-65.3-179.8000112.2V88 V163 E164 E169 Y170 D171 L174 A182 L184 I264V88-L167 HydrophobicContact CB-CD1 4.38Å; V88-L167 HydrophobicContact CG1-CD1 4.44Å; V88-L167 HydrophobicContact CG2-CD1 4.39Å; V88-L167 HydrophobicContact CG2-CD2 4Å; V163-L167 HydrophobicContact CG1-CD1 3.85Å; V163-L167 HydrophobicContact CG1-CG 4.15Å; V163-L167 VanDerWaalsContact O-CG 3.3Å; V163-L167 WeakPolarHBondContact O-CG 3.33Å; V163-L167 PolarHBondContact O-N 2.91Å; E164-L167 PolarHBondContact O-N 2.76Å; E164-L167 VanDerWaalsContact O-N 3.14Å; L167-E169 PolarHBondContact O-N 3.34Å; L167-Y170 PolarHBondContact O-N 3.43Å; L167-D171 PolarHBondContact O-N 2.99Å; L167-L174 HydrophobicContact CB-CD2 3.48Å; L167-L174 VanDerWaalsContact CB-CD2 3.48Å; L167-A182 HydrophobicContact CD1-CB 3.68Å; L167-L184 HydrophobicContact CB-CD2 4.11Å; L167-L184 HydrophobicContact CD1-CD1 4.38Å; L167-L184 HydrophobicContact CD2-CD1 4.4Å; L167-L184 HydrophobicContact CD2-CD2 4.18Å; L167-I264 HydrophobicContact CD2-CG2 3.49Å; L167-I264 VanDerWaalsContact CD2-CG2 3.49Å
168Q97.5Very high96.2Very high85 Ų8546.2 Ų46.240%0.39727%0.271SS..Hα-helixtrans-62.9-22.4176.7-78.5174.4-14.300113.5E164 I166 Y170 D171 P172 L174E164-Q168 HydrophobicContact CG-CG 4.36Å; E164-Q168 WeakPolarHBondContact O-CB 3.43Å; E164-Q168 VanDerWaalsContact O-CG 3.32Å; E164-Q168 WeakPolarHBondContact O-CG 3.32Å; E164-Q168 PolarHBondContact O-N 3.48Å; E164-Q168 PolarHBondContact OE1-NE2 2.87Å; I166-Q168 VanDerWaalsContact C-N 3.32Å; I166-Q168 PolarHBondContact O-N 2.72Å; Q168-Y170 VanDerWaalsContact C-N 3.26Å; Q168-Y170 PolarHBondContact O-N 3.26Å; Q168-D171 WeakPolarHBondContact CA-O 3.23Å; Q168-D171 CarbonylContact O-C 3.54Å; Q168-P172 WeakPolarHBondContact O-CA 3.41Å; Q168-L174 HydrophobicContact CB-CD2 4.39Å; Q168-L174 HydrophobicContact CG-CD2 3.67Å; Q168-L174 HydrophobicContact CG-CG 4.33Å
169E97.4Very high96.1Very high113 Ų11345.4 Ų45.453%0.52826%0.264SS..THydrogen-bonded Turntrans-71-23.1172.8-62.1177.1-145.200112.8I166 L167 R267I166-E169 WeakPolarHBondContact O-CB 3.41Å; I166-E169 PolarHBondContact O-N 3.36Å; L167-E169 PolarHBondContact O-N 3.34Å; E169-R267 IonicContact OE1-CZ 3.87Å; E169-R267 IonicContact OE1-NH2 2.95Å; E169-R267 PolarHBondContact OE1-NH2 3.02Å; E169-R267 IonicContact OE2-CZ 2.78Å; E169-R267 IonicContact OE2-NH1 2.8Å; E169-R267 PolarHBondContact OE2-NH1 3.31Å; E169-R267 IonicContact OE2-NH2 3.77Å; E169-R267 PolarHBondContact OE2-NH2 3.2Å
170Y97.6Very high96.1Very high9 Ų947.5 Ų47.54%0.03528%0.275CS..THydrogen-bonded Turntrans-93.3-42176.6-61.3-89.5000111.6I166 L167 Q168 F189 I260 E263 I264 R267I166-Y170 HydrophobicContact CG2-CE2 4.19Å; I166-Y170 VanDerWaalsContact O-CD2 3.26Å; I166-Y170 WeakPolarHBondContact O-CD2 3.28Å; L167-Y170 PolarHBondContact O-N 3.43Å; Q168-Y170 VanDerWaalsContact C-N 3.26Å; Q168-Y170 PolarHBondContact O-N 3.26Å; Y170-F189 HydrophobicContact CD1-CD1 4.15Å; Y170-F189 HydrophobicContact CD1-CD2 4.45Å; Y170-F189 AromaticContact CD1-CE1 3.56Å; Y170-F189 HydrophobicContact CD1-CE1 3.56Å; Y170-F189 AromaticContact CD1-CE2 3.89Å; Y170-F189 HydrophobicContact CD1-CE2 3.89Å; Y170-F189 AromaticContact CD1-CZ 3.41Å; Y170-F189 HydrophobicContact CD1-CZ 3.41Å; Y170-F189 VanDerWaalsContact CD1-CZ 3.41Å; Y170-F189 AromaticContact CE1-CE1 3.97Å; Y170-F189 HydrophobicContact CE1-CE1 3.97Å; Y170-F189 HydrophobicContact CE1-CE2 4.5Å; Y170-F189 AromaticContact CE1-CZ 3.72Å; Y170-F189 HydrophobicContact CE1-CZ 3.72Å; Y170-F189 HydrophobicContact CG-CZ 4.41Å; Y170-F189 WeakPolarHBondContact O-CD2 3.47Å; Y170-I260 HydrophobicContact CD1-CG2 4.07Å; Y170-I260 HydrophobicContact CE1-CG2 4.13Å; Y170-E263 PolarHBondContact OH-OE1 3.44Å; Y170-I264 HydrophobicContact CD1-CD1 4.08Å; Y170-I264 HydrophobicContact CD1-CG1 4.04Å; Y170-I264 HydrophobicContact CD2-CD1 4.19Å; Y170-I264 HydrophobicContact CD2-CG1 3.84Å; Y170-I264 HydrophobicContact CE1-CD1 4.35Å; Y170-I264 HydrophobicContact CE1-CG1 3.83Å; Y170-I264 HydrophobicContact CE2-CD1 4.45Å; Y170-I264 HydrophobicContact CE2-CG1 3.62Å; Y170-I264 HydrophobicContact CG-CD1 4.02Å; Y170-I264 HydrophobicContact CG-CG1 4.06Å; Y170-R267 WeakPolarHBondContact OH-CD 3.31Å; Y170-R267 PolarHBondContact OH-NH1 2.86Å
171D96.1Very high96.1Very high8 Ų849.3 Ų49.34%0.04328%0.283CS..  trans-139.3101.4175.1-179.10.9000110.3L167 Q168 T173 L174 L184 D185 L186L167-D171 PolarHBondContact O-N 2.99Å; Q168-D171 WeakPolarHBondContact CA-O 3.23Å; Q168-D171 CarbonylContact O-C 3.54Å; D171-T173 PolarHBondContact O-N 2.89Å; D171-T173 VanDerWaalsContact O-N 3.11Å; D171-T173 WeakPolarHBondContact OD1-CA 3.31Å; D171-T173 PolarHBondContact OD1-N 3.48Å; D171-T173 PolarHBondContact OD1-OG1 3.11Å; D171-L174 HydrophobicContact CB-CB 4.26Å; D171-L174 WeakPolarHBondContact O-CB 3.48Å; D171-L174 PolarHBondContact O-N 3.26Å; D171-L174 PolarHBondContact OD1-N 3.33Å; D171-L184 HydrophobicContact CB-CB 3.87Å; D171-L184 HydrophobicContact CB-CD2 4.01Å; D171-L184 HydrophobicContact CB-CG 4.11Å; D171-L184 WeakPolarHBondContact OD2-CA 3.42Å; D171-D185 PolarHBondContact OD2-N 2.92Å; D171-L186 HydrophobicContact CB-CD2 3.9Å
172P94Very high96Very high107 Ų10745.6 Ų45.670%0.69526%0.264SS*.THydrogen-bonded Turntrans-62.2-17.9177.3-23.133.7000113.9Q168Q168-P172 WeakPolarHBondContact O-CA 3.41Å
173T91Very high96Very high76 Ų7643.1 Ų43.147%0.46625%0.251SS..THydrogen-bonded Turntrans-105.114.9-177.258.70000113.2D171 K376D171-T173 PolarHBondContact O-N 2.89Å; D171-T173 VanDerWaalsContact O-N 3.11Å; D171-T173 WeakPolarHBondContact OD1-CA 3.31Å; D171-T173 PolarHBondContact OD1-N 3.48Å; D171-T173 PolarHBondContact OD1-OG1 3.11Å; T173-K376 WeakPolarHBondContact OG1-CE 3.48Å
174L93.7Very high95.9Very high22 Ų2242.8 Ų42.812%0.11525%0.249CC..  trans-52.9151.9-177.273.988.4000112.8E164 L167 Q168 D171 M176 A182 Y183 L184E164-L174 HydrophobicContact CG-CD1 4.47Å; L167-L174 HydrophobicContact CB-CD2 3.48Å; L167-L174 VanDerWaalsContact CB-CD2 3.48Å; Q168-L174 HydrophobicContact CB-CD2 4.39Å; Q168-L174 HydrophobicContact CG-CD2 3.67Å; Q168-L174 HydrophobicContact CG-CG 4.33Å; D171-L174 HydrophobicContact CB-CB 4.26Å; D171-L174 WeakPolarHBondContact O-CB 3.48Å; D171-L174 PolarHBondContact O-N 3.26Å; D171-L174 PolarHBondContact OD1-N 3.33Å; L174-M176 HydrophobicContact CD1-CG 3.6Å; L174-M176 HydrophobicContact CD1-SD 3.42Å; L174-M176 WeakPolarHBondContact CD1-SD 3.12Å; L174-A182 HydrophobicContact CD1-CB 4.35Å; L174-Y183 WeakPolarHBondContact CA-O 3.48Å; L174-Y183 WeakPolarHBondContact CB-O 3.49Å; L174-L184 HydrophobicContact CB-CG 4.04Å
175A91.8Very high95.7Very high32 Ų3241.1 Ų41.126%0.26424%0.242SC..EExtended strand (participates in β ladder)trans-105.8112.8174.700000111G177 A182 Y183 L374A175-G177 PolarHBondContact O-N 2.99Å; A175-A182 CarbonylContact O-C 3.5Å; A175-A182 WeakPolarHBondContact O-CA 3.27Å; A175-Y183 PolarHBondContact N-O 2.86Å; A175-Y183 PolarHBondContact O-N 3.4Å; A175-L374 HydrophobicContact CB-CD2 4.43Å
176M93.6Very high95.7Very high59 Ų5938.8 Ų38.829%0.29122%0.223SC..EExtended strand (participates in β ladder)trans-74.4116.8170.2-65.4-59.7-65.100110.1E164 L174 S178 A182E164-M176 HydrophobicContact CB-CE 4.45Å; E164-M176 HydrophobicContact CB-SD 4.13Å; E164-M176 HydrophobicContact CG-CG 4.16Å; E164-M176 HydrophobicContact CG-SD 3.96Å; L174-M176 HydrophobicContact CD1-CG 3.6Å; L174-M176 HydrophobicContact CD1-SD 3.42Å; L174-M176 WeakPolarHBondContact CD1-SD 3.12Å; M176-S178 WeakPolarHBondContact CE-O 3.27Å; M176-A182 HydrophobicContact CE-CB 4.46Å; M176-A182 HydrophobicContact SD-CB 3.67Å
177G90.6Very high95.5Very high44 Ų4439.5 Ų39.545%0.45423%0.228SC..  trans-79.2-33.9175.400000112.8A175 E181A175-G177 PolarHBondContact O-N 2.99Å; G177-E181 PolarHBondContact N-O 2.75Å
178S94.2Very high95.3Very high45 Ų4546.6 Ų46.632%0.31526%0.261SS..SBendtrans-161.4-158.5177.360.30000109.7M176 D180 E181M176-S178 WeakPolarHBondContact CE-O 3.27Å; S178-D180 VanDerWaalsContact C-N 3.32Å; S178-D180 PolarHBondContact OG-OD1 3.3Å; S178-E181 VanDerWaalsContact CB-OE1 3.27Å; S178-E181 WeakPolarHBondContact CB-OE1 3.4Å; S178-E181 PolarHBondContact N-O 2.9Å; S178-E181 VanDerWaalsContact OG-CD 3.28Å; S178-E181 VanDerWaalsContact OG-CG 3.28Å; S178-E181 WeakPolarHBondContact OG-CG 3.37Å; S178-E181 PolarHBondContact OG-OE1 3.29Å
179L96.7Very high95.3Very high54 Ų5444.6 Ų44.628%0.28325%0.251SS..SBendtrans-75.6-24.8178.5-67.9178.2000112.3F93 F94 S160F93-L179 HydrophobicContact CE1-CB 3.99Å; F94-L179 HydrophobicContact CE1-CD1 4.32Å; F94-L179 HydrophobicContact CZ-CD1 4.42Å; S160-L179 WeakPolarHBondContact CB-O 3.44Å; S160-L179 WeakPolarHBondContact OG-CA 3.19Å; S160-L179 PolarHBondContact OG-O 3.46Å
180D98Very high95.2Very high50 Ų5039.7 Ų39.727%0.26723%0.228SC..SBendtrans-112-6.5-174.845.7-31.1000114.4D89 M90 F93 S178D89-D180 CarbonylContact C-O 3.47Å; D89-D180 WeakPolarHBondContact CA-O 3.33Å; M90-D180 HydrophobicContact CB-CB 3.77Å; M90-D180 HydrophobicContact CG-CB 4.02Å; M90-D180 PolarHBondContact N-O 2.86Å; F93-D180 HydrophobicContact CB-CB 3.69Å; F93-D180 HydrophobicContact CD1-CB 3.59Å; F93-D180 HydrophobicContact CE1-CB 4.35Å; F93-D180 HydrophobicContact CG-CB 3.75Å; S178-D180 VanDerWaalsContact C-N 3.32Å; S178-D180 PolarHBondContact OG-OD1 3.3Å
181E97.2Very high95.1Very high41 Ų4143.1 Ų43.119%0.19225%0.25CS..EExtended strand (participates in β ladder)trans-127.8140-176.687-15813400113.1H87 V88 G177 S178 K288H87-E181 IonicContact NE2-OE2 3.91Å; V88-E181 CarbonylContact O-C 3.52Å; V88-E181 WeakPolarHBondContact O-CA 3.43Å; G177-E181 PolarHBondContact N-O 2.75Å; S178-E181 VanDerWaalsContact CB-OE1 3.27Å; S178-E181 WeakPolarHBondContact CB-OE1 3.4Å; S178-E181 PolarHBondContact N-O 2.9Å; S178-E181 VanDerWaalsContact OG-CD 3.28Å; S178-E181 VanDerWaalsContact OG-CG 3.28Å; S178-E181 WeakPolarHBondContact OG-CG 3.37Å; S178-E181 PolarHBondContact OG-OE1 3.29Å; E181-K288 IonicContact OE2-NZ 2.66Å; E181-K288 PolarHBondContact OE2-NZ 3.48Å
182A97.3Very high95Very high2 Ų245.7 Ų45.72%0.01727%0.269CS..EExtended strand (participates in β ladder)trans-143.2148.518000000111.3H87 V88 L167 L174 A175 M176 L184H87-A182 WeakPolarHBondContact CA-O 3.41Å; V88-A182 PolarHBondContact N-O 2.85Å; V88-A182 PolarHBondContact O-N 3.03Å; L167-A182 HydrophobicContact CD1-CB 3.68Å; L174-A182 HydrophobicContact CD1-CB 4.35Å; A175-A182 CarbonylContact O-C 3.5Å; A175-A182 WeakPolarHBondContact O-CA 3.27Å; M176-A182 HydrophobicContact CE-CB 4.46Å; M176-A182 HydrophobicContact SD-CB 3.67Å; A182-L184 HydrophobicContact CB-CD1 4.24Å
183Y96.7Very high95Very high29 Ų2941.4 Ų41.411%0.11424%0.239CC..EExtended strand (participates in β ladder)trans-113.3132.6171.1-59.3-99.4000109.1F86 H87 L174 A175 K288F86-Y183 WeakPolarHBondContact O-CA 3.45Å; H87-Y183 HydrophobicContact CB-CD1 4.32Å; H87-Y183 HydrophobicContact CB-CE1 4.37Å; H87-Y183 AromaticContact CD2-CD1 3.8Å; H87-Y183 AromaticContact CD2-CE1 3.37Å; H87-Y183 WeakPolarHBondContact CD2-CE1 3.48Å; H87-Y183 AromaticContact CD2-CE2 3.83Å; H87-Y183 AromaticContact CD2-CZ 3.38Å; H87-Y183 AromaticContact NE2-CZ 3.84Å; L174-Y183 WeakPolarHBondContact CA-O 3.48Å; L174-Y183 WeakPolarHBondContact CB-O 3.49Å; A175-Y183 PolarHBondContact N-O 2.86Å; A175-Y183 PolarHBondContact O-N 3.4Å; Y183-K288 HydrophobicContact CE1-CB 4.26Å; Y183-K288 WeakPolarHBondContact OH-CD 3.29Å
184L96.8Very high95.1Very high0 Ų044 Ų440%024%0.244CC..EExtended strand (participates in β ladder)trans-127.2142.1177.1-57.180000109.1V85 F86 V88 L167 D171 L174 A182 L186V85-L184 CarbonylContact C-O 3.46Å; V85-L184 WeakPolarHBondContact CA-O 3.39Å; F86-L184 HydrophobicContact CB-CB 4.28Å; F86-L184 HydrophobicContact CB-CD1 4.49Å; F86-L184 PolarHBondContact N-O 3.45Å; F86-L184 PolarHBondContact O-N 3.28Å; V88-L184 HydrophobicContact CG2-CD1 3.74Å; L167-L184 HydrophobicContact CB-CD2 4.11Å; L167-L184 HydrophobicContact CD1-CD1 4.38Å; L167-L184 HydrophobicContact CD2-CD1 4.4Å; L167-L184 HydrophobicContact CD2-CD2 4.18Å; D171-L184 HydrophobicContact CB-CB 3.87Å; D171-L184 HydrophobicContact CB-CD2 4.01Å; D171-L184 HydrophobicContact CB-CG 4.11Å; D171-L184 WeakPolarHBondContact OD2-CA 3.42Å; L174-L184 HydrophobicContact CB-CG 4.04Å; A182-L184 HydrophobicContact CB-CD1 4.24Å; L184-L186 HydrophobicContact CB-CD2 3.81Å; L184-L186 HydrophobicContact CB-CG 4.1Å; L184-L186 HydrophobicContact CD2-CD2 3.93Å
185D95.4Very high94.9Very high22 Ų2250.2 Ų50.212%0.11827%0.272CS..EExtended strand (participates in β ladder)trans-104.2101.8166-172.9-14.2000109.5H83 D171 T187 L374H83-D185 IonicContact CE1-OD2 2.65Å; H83-D185 PolarHBondContact CE1-OD2 2.97Å; H83-D185 IonicContact CG-OD2 3.95Å; H83-D185 IonicContact ND1-OD1 3.17Å; H83-D185 IonicContact ND1-OD2 3.06Å; H83-D185 PolarHBondContact ND1-OD2 2.82Å; D171-D185 PolarHBondContact OD2-N 2.92Å; D185-T187 VanDerWaalsContact C-N 3.33Å; D185-T187 VanDerWaalsContact OD1-CB 3.27Å; D185-T187 WeakPolarHBondContact OD1-CB 3.44Å; D185-T187 PolarHBondContact OD1-N 3.38Å; D185-T187 VanDerWaalsContact OD1-N 3.12Å; D185-T187 PolarHBondContact OD1-OG1 2.86Å; D185-L374 HydrophobicContact CB-CD1 3.97Å
186L96.8Very high94.7Very high0 Ų052.2 Ų52.20%028%0.281CS..  trans-94.516-175-58.8-166.9000113.2T84 F86 D171 L184 E188 F189 I190 I260 I264T84-L186 PolarHBondContact O-N 3.05Å; F86-L186 HydrophobicContact CD1-CD1 3.81Å; F86-L186 HydrophobicContact CD2-CB 4.15Å; F86-L186 HydrophobicContact CD2-CD1 3.8Å; F86-L186 HydrophobicContact CD2-CG 3.93Å; F86-L186 HydrophobicContact CE1-CD1 3.81Å; F86-L186 HydrophobicContact CE2-CB 4.1Å; F86-L186 HydrophobicContact CE2-CD1 3.83Å; F86-L186 HydrophobicContact CE2-CG 4.21Å; F86-L186 HydrophobicContact CG-CD1 3.82Å; F86-L186 HydrophobicContact CG-CG 4.21Å; F86-L186 HydrophobicContact CZ-CD1 3.84Å; D171-L186 HydrophobicContact CB-CD2 3.9Å; L184-L186 HydrophobicContact CB-CD2 3.81Å; L184-L186 HydrophobicContact CB-CG 4.1Å; L184-L186 HydrophobicContact CD2-CD2 3.93Å; L186-E188 PolarHBondContact O-N 2.78Å; L186-F189 HydrophobicContact CB-CB 4.38Å; L186-F189 HydrophobicContact CD2-CB 4.39Å; L186-F189 PolarHBondContact O-N 3.03Å; L186-I190 HydrophobicContact CB-CD1 4.02Å; L186-I190 HydrophobicContact CB-CG1 4.32Å; L186-I190 WeakPolarHBondContact O-CB 3.47Å; L186-I190 WeakPolarHBondContact O-CD1 3.37Å; L186-I190 VanDerWaalsContact O-CG1 3.29Å; L186-I190 WeakPolarHBondContact O-CG1 3.05Å; L186-I190 PolarHBondContact O-N 3.43Å; L186-I260 HydrophobicContact CD1-CG2 3.98Å; L186-I264 HydrophobicContact CD1-CD1 3.95Å
187T95.3Very high94Very high31 Ų3158.5 Ų58.519%0.1931%0.307CS..Hα-helixtrans-57-50.3-177.9-54.50000112.2S82 H83 T84 D185 T191S82-T187 WeakPolarHBondContact O-CG2 3.32Å; H83-T187 VanDerWaalsContact CA-OG1 3.27Å; H83-T187 WeakPolarHBondContact CA-OG1 3.49Å; T84-T187 PolarHBondContact N-OG1 2.94Å; D185-T187 VanDerWaalsContact C-N 3.33Å; D185-T187 VanDerWaalsContact OD1-CB 3.27Å; D185-T187 WeakPolarHBondContact OD1-CB 3.44Å; D185-T187 PolarHBondContact OD1-N 3.38Å; D185-T187 VanDerWaalsContact OD1-N 3.12Å; D185-T187 PolarHBondContact OD1-OG1 2.86Å; T187-T191 PolarHBondContact O-N 2.87Å; T187-T191 PolarHBondContact O-OG1 3.44Å
188E94.5Very high93.5Very high149 Ų14963.4 Ų63.470%0.69632%0.317SS*.Hα-helixtrans-68.9-42.4178.2-67.5178.3-169.300111.5L186 I190 T191 S192L186-E188 PolarHBondContact O-N 2.78Å; E188-I190 PolarHBondContact O-N 3.12Å; E188-T191 WeakPolarHBondContact O-CB 3.34Å; E188-T191 PolarHBondContact O-N 3.23Å; E188-S192 PolarHBondContact O-N 2.73Å
189F96.7Very high93.1Very high44 Ų4464.9 Ų64.919%0.19333%0.326CS..Hα-helixtrans-61.2-44.3179.1-175.9-86.1000112.2Y170 L186 T191 S192 R193 I260Y170-F189 HydrophobicContact CD1-CD1 4.15Å; Y170-F189 HydrophobicContact CD1-CD2 4.45Å; Y170-F189 AromaticContact CD1-CE1 3.56Å; Y170-F189 HydrophobicContact CD1-CE1 3.56Å; Y170-F189 AromaticContact CD1-CE2 3.89Å; Y170-F189 HydrophobicContact CD1-CE2 3.89Å; Y170-F189 AromaticContact CD1-CZ 3.41Å; Y170-F189 HydrophobicContact CD1-CZ 3.41Å; Y170-F189 VanDerWaalsContact CD1-CZ 3.41Å; Y170-F189 AromaticContact CE1-CE1 3.97Å; Y170-F189 HydrophobicContact CE1-CE1 3.97Å; Y170-F189 HydrophobicContact CE1-CE2 4.5Å; Y170-F189 AromaticContact CE1-CZ 3.72Å; Y170-F189 HydrophobicContact CE1-CZ 3.72Å; Y170-F189 HydrophobicContact CG-CZ 4.41Å; Y170-F189 WeakPolarHBondContact O-CD2 3.47Å; L186-F189 HydrophobicContact CB-CB 4.38Å; L186-F189 HydrophobicContact CD2-CB 4.39Å; L186-F189 PolarHBondContact O-N 3.03Å; F189-T191 VanDerWaalsContact C-N 3.3Å; F189-T191 PolarHBondContact O-N 3.21Å; F189-S192 PolarHBondContact O-N 2.99Å; F189-S192 PolarHBondContact O-OG 2.82Å; F189-R193 HydrophobicContact CD1-CB 4.45Å; F189-R193 HydrophobicContact CE1-CB 4.29Å; F189-R193 HydrophobicContact CE1-CG 4.44Å; F189-R193 WeakPolarHBondContact O-CB 3.33Å; F189-R193 PolarHBondContact O-N 3.47Å; F189-I260 HydrophobicContact CD1-CD1 4.13Å; F189-I260 HydrophobicContact CE1-CD1 4.07Å; F189-I260 HydrophobicContact CE1-CG2 4.21Å
190I95.7Very high92.8Very high10 Ų1064.3 Ų64.35%0.05132%0.324CS..Hα-helixtrans-64.1-39.7177.4-74.3161.5000110.6T84 F86 L186 E188 R193 K194 A257 I260T84-I190 HydrophobicContact CG2-CD1 3.51Å; F86-I190 HydrophobicContact CE2-CD1 4.23Å; L186-I190 HydrophobicContact CB-CD1 4.02Å; L186-I190 HydrophobicContact CB-CG1 4.32Å; L186-I190 WeakPolarHBondContact O-CB 3.47Å; L186-I190 WeakPolarHBondContact O-CD1 3.37Å; L186-I190 VanDerWaalsContact O-CG1 3.29Å; L186-I190 WeakPolarHBondContact O-CG1 3.05Å; L186-I190 PolarHBondContact O-N 3.43Å; E188-I190 PolarHBondContact O-N 3.12Å; I190-R193 PolarHBondContact O-N 3.3Å; I190-K194 HydrophobicContact CG2-CD 4.35Å; I190-K194 WeakPolarHBondContact O-CG 3.2Å; I190-K194 PolarHBondContact O-N 3.02Å; I190-A257 HydrophobicContact CD1-CB 4.04Å; I190-I260 HydrophobicContact CB-CD1 4.5Å; I190-I260 HydrophobicContact CD1-CD1 4.5Å; I190-I260 HydrophobicContact CG1-CD1 3.52Å
191T94.9Very high92.7Very high81 Ų8168 Ų6850%0.49734%0.338SS..Hα-helixtrans-62.8-44.5178.3-59.20000111.3T187 E188 F189T187-T191 PolarHBondContact O-N 2.87Å; T187-T191 PolarHBondContact O-OG1 3.44Å; E188-T191 WeakPolarHBondContact O-CB 3.34Å; E188-T191 PolarHBondContact O-N 3.23Å; F189-T191 VanDerWaalsContact C-N 3.3Å; F189-T191 PolarHBondContact O-N 3.21Å
192S94.6Very high92.6Very high61 Ų6168 Ų6843%0.42734%0.338SS..Hα-helixtrans-68.6-40.5175.268.80000111.9E188 F189 K194 Q195E188-S192 PolarHBondContact O-N 2.73Å; F189-S192 PolarHBondContact O-N 2.99Å; F189-S192 PolarHBondContact O-OG 2.82Å; S192-K194 VanDerWaalsContact C-N 3.29Å; S192-K194 PolarHBondContact O-N 2.98Å; S192-Q195 WeakPolarHBondContact O-CB 3.37Å; S192-Q195 PolarHBondContact O-N 3.46Å
193R93.9Very high92.5Very high18 Ų1872.1 Ų72.17%0.06836%0.363CS..Hα-helixtrans-60.5-35.2178.3-17365.9177.5-120.1-18.3112.8F189 I190 Q195 V196 V200 F253 G254 N255 I260 E263F189-R193 HydrophobicContact CD1-CB 4.45Å; F189-R193 HydrophobicContact CE1-CB 4.29Å; F189-R193 HydrophobicContact CE1-CG 4.44Å; F189-R193 WeakPolarHBondContact O-CB 3.33Å; F189-R193 PolarHBondContact O-N 3.47Å; I190-R193 PolarHBondContact O-N 3.3Å; R193-Q195 PolarHBondContact O-N 3.21Å; R193-V196 WeakPolarHBondContact O-CB 3.28Å; R193-V196 PolarHBondContact O-N 3.11Å; R193-V196 VanDerWaalsContact O-N 3.12Å; R193-V200 VanDerWaalsContact NH1-CG2 3.27Å; R193-V200 VanDerWaalsContact NH2-CB 3.29Å; R193-F253 PolarHBondContact NH2-O 3.45Å; R193-G254 PolarHBondContact NH2-O 2.92Å; R193-N255 HydrophobicContact CG-CB 4.03Å; R193-I260 HydrophobicContact CB-CD1 4.4Å; R193-I260 HydrophobicContact CG-CD1 4.08Å; R193-E263 IonicContact CZ-OE2 2.87Å; R193-E263 VanDerWaalsContact CZ-OE2 3.23Å; R193-E263 IonicContact NH1-OE1 3.28Å; R193-E263 IonicContact NH1-OE2 3.85Å; R193-E263 PolarHBondContact NH1-OE2 3.47Å; R193-E263 IonicContact NH2-OE2 2.75Å; R193-E263 PolarHBondContact NH2-OE2 3.24Å
194K91.8Very high92.3Very high131 Ų13174 Ų7457%0.5737%0.37SS*.THydrogen-bonded Turntrans-63.5-21.8174.8-77.2173.4179.6177.10113.7I190 S192 V196 N255I190-K194 HydrophobicContact CG2-CD 4.35Å; I190-K194 WeakPolarHBondContact O-CG 3.2Å; I190-K194 PolarHBondContact O-N 3.02Å; S192-K194 VanDerWaalsContact C-N 3.29Å; S192-K194 PolarHBondContact O-N 2.98Å; K194-V196 VanDerWaalsContact C-N 3.32Å; K194-N255 HydrophobicContact CG-CB 4.36Å
195Q91.1Very high92Very high152 Ų15275 Ų7571%0.7138%0.376SS*.THydrogen-bonded Turntrans-80.7-15.9177-56.5177.15.800112.4S192 R193 K197S192-Q195 WeakPolarHBondContact O-CB 3.37Å; S192-Q195 PolarHBondContact O-N 3.46Å; R193-Q195 PolarHBondContact O-N 3.21Å; Q195-K197 PolarHBondContact O-N 2.75Å
196V86.7Confident91.8Very high73 Ų7377 Ų7744%0.44238%0.382SS..  trans-74.4118.2176.7-173.40000109R193 K194 H198R193-V196 WeakPolarHBondContact O-CB 3.28Å; R193-V196 PolarHBondContact O-N 3.11Å; R193-V196 VanDerWaalsContact O-N 3.12Å; K194-V196 VanDerWaalsContact C-N 3.32Å; V196-H198 VanDerWaalsContact C-N 3.32Å; V196-H198 WeakPolarHBondContact CG1-O 3.38Å; V196-H198 PolarHBondContact O-N 2.68Å
197K79.1Confident91.3Very high192 Ų19279.1 Ų79.184%0.83539%0.39SS*.SBendtrans-72.8-20.1-174.1-69.4-174.9178.7-179.90114.7Q195Q195-K197 PolarHBondContact O-N 2.75Å
198H80.9Confident90.8Very high147 Ų14777.9 Ų77.968%0.68138%0.384SS*.SBendtrans-119.8143.1-175.9-60.6-62.4000110.4V196V196-H198 VanDerWaalsContact C-N 3.32Å; V196-H198 WeakPolarHBondContact CG1-O 3.38Å; V196-H198 PolarHBondContact O-N 2.68Å
199P84.4Confident90.2Very high76 Ų7672.6 Ų72.649%0.49437%0.369SS..PPolyproline II helixtrans-53.4140.3170.5-24.634.2000110.9K201 T252 F253P199-K201 PolarHBondContact O-N 3.06Å; P199-T252 HydrophobicContact CB-CG2 4.04Å; P199-F253 WeakPolarHBondContact CA-O 3.09Å
200V92.2Very high89.5Confident41 Ų4174.6 Ų74.625%0.24839%0.386CS..EExtended strand (participates in β ladder)trans-78.7126.3178.4175.10000108.8R193 T252 F253R193-V200 VanDerWaalsContact NH1-CG2 3.27Å; R193-V200 VanDerWaalsContact NH2-CB 3.29Å; V200-T252 CarbonylContact O-C 3.57Å; V200-T252 VanDerWaalsContact O-CA 3.31Å; V200-T252 WeakPolarHBondContact O-CA 3.4Å; V200-F253 PolarHBondContact N-O 3.5Å; V200-F253 VanDerWaalsContact N-O 3.11Å; V200-F253 PolarHBondContact O-N 3.44Å
201K94.3Very high89Confident127 Ų12774.4 Ų74.455%0.55239%0.386SS*.EExtended strand (participates in β ladder)trans-90.4138.2179.9-72.7177.9165.6-142.30110.3P199 E250 V251 T252P199-K201 PolarHBondContact O-N 3.06Å; K201-E250 IonicContact NZ-OE2 3.25Å; K201-E250 PolarHBondContact NZ-OE2 3.4Å; K201-V251 CarbonylContact C-O 3.49Å; K201-V251 WeakPolarHBondContact CA-O 3.25Å; K201-T252 HydrophobicContact CG-CG2 3.55Å
202H95.7Very high88.4Confident41 Ų4175 Ų7519%0.1939%0.393CS..EExtended strand (participates in β ladder)trans-129145.3166.6-70.4-88.3000109.9V251 F253 E263 F266H202-V251 HydrophobicContact CB-CG1 4.3Å; H202-V251 PolarHBondContact N-O 2.97Å; H202-V251 PolarHBondContact O-N 2.95Å; H202-F253 AromaticContact CD2-CD2 3.85Å; H202-E263 IonicContact CD2-OE1 3.38Å; H202-E263 IonicContact CE1-OE1 3.47Å; H202-E263 IonicContact NE2-OE1 3.45Å; H202-E263 PolarHBondContact NE2-OE1 3.25Å; H202-F266 HydrophobicContact CB-CD1 4.34Å; H202-F266 HydrophobicContact CB-CE1 3.51Å; H202-F266 HydrophobicContact CB-CZ 4.22Å
203T94.6Very high87.9Confident89 Ų8972.4 Ų72.455%0.54638%0.375SS..EExtended strand (participates in β ladder)trans-72.1129.2168.2-54.50000109.1V248T203-V248 HydrophobicContact CG2-CG1 3.55Å
204R92.8Very high87.4Confident69 Ų6973.4 Ų73.426%0.2638%0.381SS..EExtended strand (participates in β ladder)trans-108.1129.2175.2171.7172.473.7-169.40.1109.5R206 V248 D249 V251 F266R204-R206 HydrophobicContact CG-CG 4.01Å; R204-V248 WeakPolarHBondContact O-CA 3.41Å; R204-D249 VanDerWaalsContact CB-OD1 3.24Å; R204-D249 WeakPolarHBondContact CB-OD1 3.28Å; R204-D249 WeakPolarHBondContact CG-OD1 3.22Å; R204-D249 IonicContact CZ-OD1 3.65Å; R204-D249 IonicContact CZ-OD2 2.75Å; R204-D249 PolarHBondContact N-O 3.19Å; R204-D249 IonicContact NE-OD1 3.89Å; R204-D249 PolarHBondContact NE-OD1 3.35Å; R204-D249 IonicContact NE-OD2 3.47Å; R204-D249 PolarHBondContact NE-OD2 3.29Å; R204-D249 VanDerWaalsContact NH2-CG 3.34Å; R204-D249 IonicContact NH2-OD1 2.71Å; R204-D249 PolarHBondContact NH2-OD1 3.19Å; R204-D249 IonicContact NH2-OD2 3.49Å; R204-D249 PolarHBondContact NH2-OD2 3.49Å; R204-D249 PolarHBondContact O-N 2.8Å; R204-V251 HydrophobicContact CB-CG1 4.19Å; R204-F266 HydrophobicContact CB-CE2 3.7Å; R204-F266 HydrophobicContact CB-CZ 3.68Å; R204-F266 HydrophobicContact CG-CE2 3.72Å; R204-F266 HydrophobicContact CG-CZ 4.21Å
205V91.4Very high87.1Confident22 Ų2269.2 Ų69.213%0.13337%0.365CS..EExtended strand (participates in β ladder)trans-113.3130.4174.6-174.20000108.4Y207 R246 L247 V248 Q270V205-Y207 HydrophobicContact CG1-CE1 4.18Å; V205-Y207 HydrophobicContact CG1-CE2 4.15Å; V205-R246 HydrophobicContact CG1-CG 3.78Å; V205-L247 WeakPolarHBondContact CA-O 3.48Å; V205-V248 HydrophobicContact CG2-CG2 4.46Å; V205-Q270 PolarHBondContact O-NE2 2.89Å; V205-Q270 PolarHBondContact O-OE1 3.46Å
206R90Very high86.9Confident63 Ų6362.6 Ų62.624%0.23834%0.335CS..EExtended strand (participates in β ladder)trans-132.7152.1175.3-61.5-179.8-73.3164.4-4.1110.3R204 P216 F218 R246 L247 D249R204-R206 HydrophobicContact CG-CG 4.01Å; R206-P216 WeakPolarHBondContact CA-O 3.47Å; R206-F218 HydrophobicContact CB-CB 4.1Å; R206-F218 HydrophobicContact CB-CD1 3.68Å; R206-F218 HydrophobicContact CB-CG 4.24Å; R206-R246 WeakPolarHBondContact O-CA 3.11Å; R206-L247 PolarHBondContact N-O 2.73Å; R206-L247 VanDerWaalsContact NH2-CD2 3.3Å; R206-L247 PolarHBondContact O-N 3.14Å; R206-D249 IonicContact CZ-OD2 3.57Å; R206-D249 IonicContact NE-OD2 3.52Å; R206-D249 IonicContact NH2-OD2 3.73Å; R206-D249 PolarHBondContact NH2-OD2 2.92Å
207Y87.9Confident86.7Confident45 Ų4563 Ų6318%0.17634%0.341CS..EExtended strand (participates in β ladder)trans-117.9143.4-177.6-56.5-80.3000111.8V205 M214 P216 S217 F218 R244 L245 R246V205-Y207 HydrophobicContact CG1-CE1 4.18Å; V205-Y207 HydrophobicContact CG1-CE2 4.15Å; Y207-M214 HydrophobicContact CD1-CB 4.32Å; Y207-M214 HydrophobicContact CD2-CB 3.59Å; Y207-M214 HydrophobicContact CE2-CB 4.17Å; Y207-M214 HydrophobicContact CE2-CE 4.35Å; Y207-M214 HydrophobicContact CG-CB 3.66Å; Y207-P216 PolarHBondContact N-O 2.98Å; Y207-S217 CarbonylContact O-C 3.29Å; Y207-S217 WeakPolarHBondContact O-CA 3.35Å; Y207-F218 VanDerWaalsContact C-CE1 3.42Å; Y207-F218 VanDerWaalsContact O-CD1 3.23Å; Y207-F218 WeakPolarHBondContact O-CD1 3.37Å; Y207-F218 PolarHBondContact O-N 2.8Å; Y207-R244 HydrophobicContact CD1-CG 4.04Å; Y207-L245 CarbonylContact C-O 3.6Å; Y207-L245 VanDerWaalsContact CA-O 3.31Å; Y207-L245 WeakPolarHBondContact CA-O 3.43Å; Y207-R246 HydrophobicContact CD1-CB 4.39Å; Y207-R246 HydrophobicContact CE1-CB 4.41Å; Y207-R246 HydrophobicContact CE1-CG 4.19Å
208G84.6Confident86.7Confident5 Ų554.8 Ų54.85%0.05231%0.305CS..EExtended strand (participates in β ladder)trans-159.5-162.8-177.600000112.8F218 L245G208-F218 VanDerWaalsContact N-CE1 3.31Å; G208-L245 PolarHBondContact N-O 3.41Å; G208-L245 PolarHBondContact O-N 3.35Å
209G81Confident86.2Confident37 Ų3752 Ų5238%0.38131%0.308SS..SBendtrans83.2-157.9-172.800000112.4C211G209-C211 PolarHBondContact O-N 3.39Å
210P82.5Confident85.2Confident86 Ų8652.8 Ų52.856%0.55831%0.308SS*.SBendtrans-69-11-177.125.7-31.9000113.9H242 S243P210-H242 HydrophobicContact CB-CB 4.06Å; P210-H242 HydrophobicContact CG-CB 4.15Å; P210-H242 PolarHBondContact O-ND1 3.4Å; P210-S243 WeakPolarHBondContact CD-O 3.34Å; P210-S243 WeakPolarHBondContact CG-O 3.36Å
211C83.9Confident83.7Confident7 Ų753.7 Ų53.75%0.04732%0.315CS..  trans-93.9121.6175.2178.80000111.5G209 C237 H242 R244G209-C211 PolarHBondContact O-N 3.39Å; C211-C237 HydrophobicContact CB-CB 4.4Å; C211-C237 WeakPolarHBondContact SG-CB 3.32Å; C211-C237 VanDerWaalsContact SG-SG 3.6Å; C211-H242 HydrophobicContact CB-CB 4.14Å; C211-R244 HydrophobicContact CB-CB 4.3Å; C211-R244 HydrophobicContact CB-CG 4.48Å
212S82.3Confident81.8Confident93 Ų9354 Ų5465%0.6533%0.332SS*.  trans-107.616.7174.668.20000113.6R106R106-S212 PolarHBondContact NH1-O 3.3Å; R106-S212 VanDerWaalsContact NH1-O 3.07Å
213C84.4Confident79.8Confident7 Ų759 Ų595%0.04736%0.359CS..SBendtrans-79.7-21.6-171.5-66.80000114.4P103 R106 I239P103-C213 HydrophobicContact CB-CB 4.3Å; P103-C213 HydrophobicContact CG-CB 3.74Å; R106-C213 PolarHBondContact NH1-O 3.34Å; R106-C213 PolarHBondContact NH2-O 2.88Å; C213-I239 HydrophobicContact CB-CB 4.42Å; C213-I239 HydrophobicContact CB-CD1 4.27Å
214M84.9Confident77.9Confident38 Ų3856.9 Ų56.919%0.18734%0.344CS..SBendtrans-110.1146.6-176.8-66.7-72.2-88.500111Y207Y207-M214 HydrophobicContact CD1-CB 4.32Å; Y207-M214 HydrophobicContact CD2-CB 3.59Å; Y207-M214 HydrophobicContact CE2-CB 4.17Å; Y207-M214 HydrophobicContact CE2-CE 4.35Å; Y207-M214 HydrophobicContact CG-CB 3.66Å
215N84.6Confident76Confident44 Ų4457.6 Ų57.624%0.23536%0.358CS..SBendtrans-113.1157.5169.2-63-30.4000109.5R106 Q273R106-N215 PolarHBondContact NH1-OD1 2.78Å; N215-Q273 HydrophobicContact CB-CB 4.14Å; N215-Q273 VanDerWaalsContact O-CG 3.31Å; N215-Q273 WeakPolarHBondContact O-CG 3.25Å
216P86.2Confident74.4Confident13 Ų1364.7 Ų64.78%0.08439%0.39CS..SBendcis-70.8134.7-7.1-9.123.8000111.4R206 Y207 E269R206-P216 WeakPolarHBondContact CA-O 3.47Å; Y207-P216 PolarHBondContact N-O 2.98Å; P216-E269 HydrophobicContact CG-CG 3.92Å
217S82.6Confident72.9Confident82 Ų8269.3 Ų69.357%0.57342%0.419SS*.BIsolated β-bridgetrans-82.6146.2176.561.40000111.2Y207Y207-S217 CarbonylContact O-C 3.29Å; Y207-S217 WeakPolarHBondContact O-CA 3.35Å
218F79.4Confident71.8Confident18 Ų1874.8 Ų74.88%0.07945%0.446CS..  trans-118.6143.3165.675.1-80.6000110.9R206 Y207 G208 L220 L245 L247R206-F218 HydrophobicContact CB-CB 4.1Å; R206-F218 HydrophobicContact CB-CD1 3.68Å; R206-F218 HydrophobicContact CB-CG 4.24Å; Y207-F218 VanDerWaalsContact C-CE1 3.42Å; Y207-F218 VanDerWaalsContact O-CD1 3.23Å; Y207-F218 WeakPolarHBondContact O-CD1 3.37Å; Y207-F218 PolarHBondContact O-N 2.8Å; G208-F218 VanDerWaalsContact N-CE1 3.31Å; F218-L220 HydrophobicContact CE2-CD1 3.62Å; F218-L220 HydrophobicContact CE2-CG 4.05Å; F218-L220 HydrophobicContact CZ-CD1 3.87Å; F218-L245 HydrophobicContact CZ-CB 4.47Å; F218-L247 HydrophobicContact CD1-CB 4.2Å; F218-L247 HydrophobicContact CD1-CD2 4.47Å; F218-L247 HydrophobicContact CD2-CD2 4.1Å; F218-L247 HydrophobicContact CE1-CB 3.71Å; F218-L247 HydrophobicContact CE1-CD2 4.47Å; F218-L247 HydrophobicContact CE2-CD2 4.11Å; F218-L247 HydrophobicContact CG-CD2 4.31Å; F218-L247 HydrophobicContact CZ-CB 3.92Å; F218-L247 HydrophobicContact CZ-CD2 4.31Å
219A70.5Confident70.9Confident90 Ų9077.1 Ų77.174%0.74445%0.454SS*.PPolyproline II helixtrans-76.6130.2163.700000108P221A219-P221 VanDerWaalsContact O-CD 3.27Å; A219-P221 WeakPolarHBondContact O-CD 3.42Å; A219-P221 VanDerWaalsContact O-N 3.17Å
220L64Low70.4Confident91 Ų9181.7 Ų81.748%0.47647%0.465SS..PPolyproline II helixtrans-58121.1174.3-116.588.1000108.5F218 L245F218-L220 HydrophobicContact CE2-CD1 3.62Å; F218-L220 HydrophobicContact CE2-CG 4.05Å; F218-L220 HydrophobicContact CZ-CD1 3.87Å; L220-L245 HydrophobicContact CD1-CD1 3.61Å
221P59.6Low69.9Low61 Ų6180.6 Ų80.640%0.39645%0.454SS..PPolyproline II helixtrans-63.5143.5171.3-16.930.9000109.7A219 I223 L224A219-P221 VanDerWaalsContact O-CD 3.27Å; A219-P221 WeakPolarHBondContact O-CD 3.42Å; A219-P221 VanDerWaalsContact O-N 3.17Å; P221-I223 WeakPolarHBondContact CB-O 3.44Å; P221-I223 PolarHBondContact O-N 3.48Å; P221-L224 HydrophobicContact CB-CD2 4.31Å; P221-L224 HydrophobicContact CB-CG 4.17Å; P221-L224 HydrophobicContact CG-CD2 3.61Å; P221-L224 HydrophobicContact CG-CG 4Å
222S54.7Low69.6Low132 Ų13285.3 Ų85.392%0.92348%0.475SS*.SBendtrans-61.2-25.4175.8-350000112.7
223I54.1Low69Low148 Ų14887 Ų8776%0.75948%0.475SS*.SBendtrans-140.3120.7178.5-54.8173000105.9P221P221-I223 WeakPolarHBondContact CB-O 3.44Å; P221-I223 PolarHBondContact O-N 3.48Å
224L54.7Low68.3Low43 Ų4389.6 Ų89.623%0.22549%0.491CS..  trans-107.4127.7173.7-69.9141.5000109.1P221 E226 Y229 M231P221-L224 HydrophobicContact CB-CD2 4.31Å; P221-L224 HydrophobicContact CB-CG 4.17Å; P221-L224 HydrophobicContact CG-CD2 3.61Å; P221-L224 HydrophobicContact CG-CG 4Å; L224-E226 PolarHBondContact O-N 2.96Å; L224-Y229 HydrophobicContact CB-CE1 3.63Å; L224-Y229 HydrophobicContact CB-CE2 4.32Å; L224-Y229 WeakPolarHBondContact CB-OH 3.47Å; L224-Y229 HydrophobicContact CD2-CD1 4.38Å; L224-Y229 HydrophobicContact CD2-CE1 3.85Å; L224-Y229 HydrophobicContact CD2-CE2 4.24Å; L224-Y229 HydrophobicContact CG-CE1 4.37Å; L224-Y229 PolarHBondContact O-OH 2.93Å; L224-M231 HydrophobicContact CD1-CE 3.45Å; L224-M231 VanDerWaalsContact CD1-CE 3.45Å; L224-M231 HydrophobicContact CD2-CE 3.91Å; L224-M231 HydrophobicContact CG-CE 4.35Å
225P53.7Low67.7Low85 Ų8592.5 Ų92.555%0.55250%0.504SS*.  trans-71.9109.9175.925.5-29.8000110.7N227 E228 Y229P225-N227 PolarHBondContact O-N 3.45Å; P225-E228 PolarHBondContact O-N 2.95Å; P225-Y229 HydrophobicContact CG-CE1 4.49Å; P225-Y229 WeakPolarHBondContact O-CE1 3.47Å
226E56.8Low67.6Low170 Ų17094.5 Ų94.579%0.79452%0.518SS*.THydrogen-bonded Turntrans-51.9-13-166.3-67.7180160.500117.3L224L224-E226 PolarHBondContact O-N 2.96Å
227N59.3Low67.4Low160 Ų16094 Ų9486%0.85651%0.514SS*.THydrogen-bonded Turntrans-110.81.6-167.1-66.3-23000116.3P225P225-N227 PolarHBondContact O-N 3.45Å
228E63.7Low67.4Low160 Ų16097.7 Ų97.775%0.74853%0.528SS*.SBendtrans-117.63.3-174.2-81.9-171.7168.700115.8P225P225-E228 PolarHBondContact O-N 2.95Å
229Y66.4Low67.6Low55 Ų55100.9 Ų100.922%0.21655%0.545CS..  trans-150.1153-178.258.5-94.6000112.7L224 P225 M231 L247L224-Y229 HydrophobicContact CB-CE1 3.63Å; L224-Y229 HydrophobicContact CB-CE2 4.32Å; L224-Y229 WeakPolarHBondContact CB-OH 3.47Å; L224-Y229 HydrophobicContact CD2-CD1 4.38Å; L224-Y229 HydrophobicContact CD2-CE1 3.85Å; L224-Y229 HydrophobicContact CD2-CE2 4.24Å; L224-Y229 HydrophobicContact CG-CE1 4.37Å; L224-Y229 PolarHBondContact O-OH 2.93Å; P225-Y229 HydrophobicContact CG-CE1 4.49Å; P225-Y229 WeakPolarHBondContact O-CE1 3.47Å; Y229-M231 HydrophobicContact CD2-CB 4.1Å; Y229-M231 HydrophobicContact CD2-CE 4.33Å; Y229-M231 HydrophobicContact CE2-CB 4.23Å; Y229-M231 HydrophobicContact CE2-CE 4.04Å; Y229-L247 HydrophobicContact CD2-CD1 3.45Å; Y229-L247 VanDerWaalsContact CD2-CD1 3.45Å; Y229-L247 HydrophobicContact CE2-CD1 4.48Å; Y229-L247 HydrophobicContact CG-CD1 3.6Å
230Q70.2Confident68.4Low133 Ų13398.9 Ų98.962%0.62153%0.525SS*.EExtended strand (participates in β ladder)trans-102.1117168.6-69178.4-13.500108.4V248Q230-V248 HydrophobicContact CB-CB 4.5Å; Q230-V248 PolarHBondContact N-O 3.4Å; Q230-V248 PolarHBondContact O-N 3.13Å
231M72.2Confident69.4Low63 Ų6396.9 Ų96.931%0.3153%0.526SS..EExtended strand (participates in β ladder)trans-112.7124.5175.5-169.2-178.4-55.300109.7L224 Y229 L245 R246 L247L224-M231 HydrophobicContact CD1-CE 3.45Å; L224-M231 VanDerWaalsContact CD1-CE 3.45Å; L224-M231 HydrophobicContact CD2-CE 3.91Å; L224-M231 HydrophobicContact CG-CE 4.35Å; Y229-M231 HydrophobicContact CD2-CB 4.1Å; Y229-M231 HydrophobicContact CD2-CE 4.33Å; Y229-M231 HydrophobicContact CE2-CB 4.23Å; Y229-M231 HydrophobicContact CE2-CE 4.04Å; M231-L245 HydrophobicContact SD-CD1 4.47Å; M231-R246 WeakPolarHBondContact CA-O 3.38Å; M231-L247 HydrophobicContact CB-CD1 4.29Å; M231-L247 HydrophobicContact CE-CD1 4.1Å
232E76.8Confident70.7Confident105 Ų10598.8 Ų98.849%0.49153%0.53SS..EExtended strand (participates in β ladder)trans-130.5140.6-179.4-65.2177.9174.400110.2V234 R246E232-V234 PolarHBondContact O-N 3.49Å; E232-R246 PolarHBondContact N-O 3.35Å; E232-R246 PolarHBondContact O-N 2.79Å
233I71.3Confident72.1Confident128 Ų12895.3 Ų95.366%0.65651%0.505SS*.EExtended strand (participates in β ladder)trans-77.4107.9162.8-60.9166.8000105.6L245I233-L245 HydrophobicContact CB-CD2 4.44Å; I233-L245 HydrophobicContact CG1-CD2 3.54Å
234V69.7Low73.5Confident63 Ų6389 Ų8938%0.38247%0.472SS..EExtended strand (participates in β ladder)trans-80.2-61-171.7-176.70000110.9E232 R244 R246E232-V234 PolarHBondContact O-N 3.49Å; V234-R244 PolarHBondContact N-O 3.44Å; V234-R246 HydrophobicContact CG2-CB 3.16Å; V234-R246 HydrophobicContact CG2-CG 4.06Å
235E71.8Confident75Confident98 Ų9888.5 Ų88.546%0.45847%0.469SS..EExtended strand (participates in β ladder)trans-167159.8-167.661.6-169.6-176.700110.4R244E235-R244 WeakPolarHBondContact O-CB 3.44Å; E235-R244 PolarHBondContact O-N 2.93Å; E235-R244 IonicContact OE1-CZ 3.52Å; E235-R244 IonicContact OE1-NH1 2.74Å; E235-R244 PolarHBondContact OE1-NH1 3.01Å
236T81.2Confident76.5Confident87 Ų8788.5 Ų88.553%0.53446%0.458SS..EExtended strand (participates in β ladder)trans-72.2125.6167.6-54.40000108.4D238 G241T236-D238 PolarHBondContact O-N 2.88Å; T236-G241 WeakPolarHBondContact CG2-O 3.5Å
237C82.3Confident78Confident1 Ų180.6 Ų80.61%0.00742%0.421CS..  trans-69.3124-177.31740000111.7C211 I239 C240 G241 H242 R244C211-C237 HydrophobicContact CB-CB 4.4Å; C211-C237 WeakPolarHBondContact SG-CB 3.32Å; C211-C237 VanDerWaalsContact SG-SG 3.6Å; C237-I239 PolarHBondContact O-N 3.35Å; C237-I239 PolarHBondContact SG-N 2.91Å; C237-I239 VanDerWaalsContact SG-N 3.45Å; C237-C240 PolarHBondContact O-N 3Å; C237-C240 VanDerWaalsContact SG-SG 3.7Å; C237-G241 WeakPolarHBondContact O-CA 3.47Å; C237-G241 PolarHBondContact O-N 3.34Å; C237-H242 WeakPolarHBondContact CB-O 3.29Å; C237-H242 PolarHBondContact N-O 3.48Å; C237-R244 PolarHBondContact SG-NH2 3.43Å
238D83.6Confident79.4Confident161 Ų16174.1 Ų74.186%0.86139%0.388SS*.THydrogen-bonded Turntrans-59.7-21.4178.5-59.6-35.8000114.8T236T236-D238 PolarHBondContact O-N 2.88Å
239I83.7Confident80.7Confident84 Ų8467.6 Ų67.643%0.43136%0.358SS..THydrogen-bonded Turntrans-86.1-42.8-176.8-57.4172.5000111.8P103 C213 C237P103-I239 HydrophobicContact CG-CD1 4.05Å; P103-I239 HydrophobicContact CG-CG2 4.12Å; C213-I239 HydrophobicContact CB-CB 4.42Å; C213-I239 HydrophobicContact CB-CD1 4.27Å; C237-I239 PolarHBondContact O-N 3.35Å; C237-I239 PolarHBondContact SG-N 2.91Å; C237-I239 VanDerWaalsContact SG-N 3.45Å
240C86Confident81.9Confident49 Ų4970.5 Ų70.533%0.33137%0.374SS..THydrogen-bonded Turntrans-117.8-11.4-173.866.20000115C237 H242C237-C240 PolarHBondContact O-N 3Å; C237-C240 VanDerWaalsContact SG-SG 3.7Å; C240-H242 PolarHBondContact O-N 2.98Å
241G85.5Confident83Confident49 Ų4965.5 Ų65.551%0.50535%0.352SS..  trans73.7-0-177.200000115T236 C237T236-G241 WeakPolarHBondContact CG2-O 3.5Å; C237-G241 WeakPolarHBondContact O-CA 3.47Å; C237-G241 PolarHBondContact O-N 3.34Å
242H86.3Confident84.1Confident100 Ų10065.9 Ų65.946%0.46336%0.358SS..PPolyproline II helixtrans-86.1149.8175.6-62.5154.4000112.1P210 C211 C237 C240P210-H242 HydrophobicContact CB-CB 4.06Å; P210-H242 HydrophobicContact CG-CB 4.15Å; P210-H242 PolarHBondContact O-ND1 3.4Å; C211-H242 HydrophobicContact CB-CB 4.14Å; C237-H242 WeakPolarHBondContact CB-O 3.29Å; C237-H242 PolarHBondContact N-O 3.48Å; C240-H242 PolarHBondContact O-N 2.98Å
243S84Confident85Confident59 Ų5961.4 Ų61.441%0.41334%0.337SS..EExtended strand (participates in β ladder)trans-62.3135.3172.5-520000111.3P210P210-S243 WeakPolarHBondContact CD-O 3.34Å; P210-S243 WeakPolarHBondContact CG-O 3.36Å
244R84.3Confident86.1Confident17 Ų1756.5 Ų56.56%0.06432%0.318CS..EExtended strand (participates in β ladder)trans-103127.6178.6-167.4-176.5-62.6145.9-2.4110.5Y207 C211 V234 E235 C237Y207-R244 HydrophobicContact CD1-CG 4.04Å; C211-R244 HydrophobicContact CB-CB 4.3Å; C211-R244 HydrophobicContact CB-CG 4.48Å; V234-R244 PolarHBondContact N-O 3.44Å; E235-R244 WeakPolarHBondContact O-CB 3.44Å; E235-R244 PolarHBondContact O-N 2.93Å; E235-R244 IonicContact OE1-CZ 3.52Å; E235-R244 IonicContact OE1-NH1 2.74Å; E235-R244 PolarHBondContact OE1-NH1 3.01Å; C237-R244 PolarHBondContact SG-NH2 3.43Å
245L85.4Confident87.2Confident31 Ų3156.5 Ų56.516%0.16232%0.316CS..EExtended strand (participates in β ladder)trans-89.6133.7166.9-63.3173.5000109.1Y207 G208 F218 L220 M231 I233Y207-L245 CarbonylContact C-O 3.6Å; Y207-L245 VanDerWaalsContact CA-O 3.31Å; Y207-L245 WeakPolarHBondContact CA-O 3.43Å; G208-L245 PolarHBondContact N-O 3.41Å; G208-L245 PolarHBondContact O-N 3.35Å; F218-L245 HydrophobicContact CZ-CB 4.47Å; L220-L245 HydrophobicContact CD1-CD1 3.61Å; M231-L245 HydrophobicContact SD-CD1 4.47Å; I233-L245 HydrophobicContact CB-CD2 4.44Å; I233-L245 HydrophobicContact CG1-CD2 3.54Å
246R86.5Confident88.3Confident85 Ų8554.9 Ų54.932%0.32131%0.313SS..EExtended strand (participates in β ladder)trans-114.5126.8171.1179.1-177.7173.8-1340.7108.4V205 R206 Y207 M231 E232 V234 V248V205-R246 HydrophobicContact CG1-CG 3.78Å; R206-R246 WeakPolarHBondContact O-CA 3.11Å; Y207-R246 HydrophobicContact CD1-CB 4.39Å; Y207-R246 HydrophobicContact CE1-CB 4.41Å; Y207-R246 HydrophobicContact CE1-CG 4.19Å; M231-R246 WeakPolarHBondContact CA-O 3.38Å; E232-R246 PolarHBondContact N-O 3.35Å; E232-R246 PolarHBondContact O-N 2.79Å; V234-R246 HydrophobicContact CG2-CB 3.16Å; V234-R246 HydrophobicContact CG2-CG 4.06Å; R246-V248 HydrophobicContact CG-CG2 4.08Å
247L87.1Confident89.1Confident4 Ų451.2 Ų51.22%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-108.1124.7174.3-178.364.3000108V205 R206 F218 Y229 M231V205-L247 WeakPolarHBondContact CA-O 3.48Å; R206-L247 PolarHBondContact N-O 2.73Å; R206-L247 VanDerWaalsContact NH2-CD2 3.3Å; R206-L247 PolarHBondContact O-N 3.14Å; F218-L247 HydrophobicContact CD1-CB 4.2Å; F218-L247 HydrophobicContact CD1-CD2 4.47Å; F218-L247 HydrophobicContact CD2-CD2 4.1Å; F218-L247 HydrophobicContact CE1-CB 3.71Å; F218-L247 HydrophobicContact CE1-CD2 4.47Å; F218-L247 HydrophobicContact CE2-CD2 4.11Å; F218-L247 HydrophobicContact CG-CD2 4.31Å; F218-L247 HydrophobicContact CZ-CB 3.92Å; F218-L247 HydrophobicContact CZ-CD2 4.31Å; Y229-L247 HydrophobicContact CD2-CD1 3.45Å; Y229-L247 VanDerWaalsContact CD2-CD1 3.45Å; Y229-L247 HydrophobicContact CE2-CD1 4.48Å; Y229-L247 HydrophobicContact CG-CD1 3.6Å; M231-L247 HydrophobicContact CB-CD1 4.29Å; M231-L247 HydrophobicContact CE-CD1 4.1Å
248V89.6Confident89.8Confident25 Ų2554.3 Ų54.315%0.15231%0.305CS..EExtended strand (participates in β ladder)trans-116.4123174.7-172.70000108.5T203 R204 V205 Q230 R246T203-V248 HydrophobicContact CG2-CG1 3.55Å; R204-V248 WeakPolarHBondContact O-CA 3.41Å; V205-V248 HydrophobicContact CG2-CG2 4.46Å; Q230-V248 HydrophobicContact CB-CB 4.5Å; Q230-V248 PolarHBondContact N-O 3.4Å; Q230-V248 PolarHBondContact O-N 3.13Å; R246-V248 HydrophobicContact CG-CG2 4.08Å
249D90Very high90.4Very high23 Ų2349.2 Ų49.212%0.12328%0.277CS..EExtended strand (participates in β ladder)trans-141.7-179.9174.657.814.4000110.5R204 R206R204-D249 VanDerWaalsContact CB-OD1 3.24Å; R204-D249 WeakPolarHBondContact CB-OD1 3.28Å; R204-D249 WeakPolarHBondContact CG-OD1 3.22Å; R204-D249 IonicContact CZ-OD1 3.65Å; R204-D249 IonicContact CZ-OD2 2.75Å; R204-D249 PolarHBondContact N-O 3.19Å; R204-D249 IonicContact NE-OD1 3.89Å; R204-D249 PolarHBondContact NE-OD1 3.35Å; R204-D249 IonicContact NE-OD2 3.47Å; R204-D249 PolarHBondContact NE-OD2 3.29Å; R204-D249 VanDerWaalsContact NH2-CG 3.34Å; R204-D249 IonicContact NH2-OD1 2.71Å; R204-D249 PolarHBondContact NH2-OD1 3.19Å; R204-D249 IonicContact NH2-OD2 3.49Å; R204-D249 PolarHBondContact NH2-OD2 3.49Å; R204-D249 PolarHBondContact O-N 2.8Å; R206-D249 IonicContact CZ-OD2 3.57Å; R206-D249 IonicContact NE-OD2 3.52Å; R206-D249 IonicContact NH2-OD2 3.73Å; R206-D249 PolarHBondContact NH2-OD2 2.92Å
250E92Very high91.1Very high116 Ų11645.2 Ų45.254%0.54226%0.256SS..EExtended strand (participates in β ladder)trans-106.6148.5175.3-65.2-167.5155.200111.1K201K201-E250 IonicContact NZ-OE2 3.25Å; K201-E250 PolarHBondContact NZ-OE2 3.4Å
251V94.1Very high91.7Very high28 Ų2842.9 Ų42.917%0.1724%0.24CC..EExtended strand (participates in β ladder)trans-131.2145.3168.6640000109.5K201 H202 R204 F253 F266K201-V251 CarbonylContact C-O 3.49Å; K201-V251 WeakPolarHBondContact CA-O 3.25Å; H202-V251 HydrophobicContact CB-CG1 4.3Å; H202-V251 PolarHBondContact N-O 2.97Å; H202-V251 PolarHBondContact O-N 2.95Å; R204-V251 HydrophobicContact CB-CG1 4.19Å; V251-F253 HydrophobicContact CG1-CE2 3.7Å; V251-F253 HydrophobicContact CG1-CZ 4.01Å; V251-F253 HydrophobicContact CG2-CE2 4.24Å; V251-F253 HydrophobicContact CG2-CZ 4.04Å; V251-F266 HydrophobicContact CG1-CD1 4.42Å; V251-F266 HydrophobicContact CG1-CD2 4.32Å; V251-F266 HydrophobicContact CG1-CE1 3.91Å; V251-F266 HydrophobicContact CG1-CE2 3.76Å; V251-F266 HydrophobicContact CG1-CZ 3.52Å
252T95.5Very high92.3Very high71 Ų7144.1 Ų44.144%0.43623%0.233SC..EExtended strand (participates in β ladder)trans-116.3141.8178.3500000111.2P199 V200 K201P199-T252 HydrophobicContact CB-CG2 4.04Å; V200-T252 CarbonylContact O-C 3.57Å; V200-T252 VanDerWaalsContact O-CA 3.31Å; V200-T252 WeakPolarHBondContact O-CA 3.4Å; K201-T252 HydrophobicContact CG-CG2 3.55Å
253F96.3Very high92.9Very high11 Ų1139.5 Ų39.55%0.04821%0.212CC..EExtended strand (participates in β ladder)trans-119.3143.2173.7-60.5-83.4000111.5R193 P199 V200 H202 V251 Q262 E263 F266R193-F253 PolarHBondContact NH2-O 3.45Å; P199-F253 WeakPolarHBondContact CA-O 3.09Å; V200-F253 PolarHBondContact N-O 3.5Å; V200-F253 VanDerWaalsContact N-O 3.11Å; V200-F253 PolarHBondContact O-N 3.44Å; H202-F253 AromaticContact CD2-CD2 3.85Å; V251-F253 HydrophobicContact CG1-CE2 3.7Å; V251-F253 HydrophobicContact CG1-CZ 4.01Å; V251-F253 HydrophobicContact CG2-CE2 4.24Å; V251-F253 HydrophobicContact CG2-CZ 4.04Å; F253-Q262 HydrophobicContact CD1-CB 4.07Å; F253-Q262 HydrophobicContact CE1-CB 3.92Å; F253-E263 HydrophobicContact CB-CB 3.98Å; F253-E263 HydrophobicContact CB-CG 4.32Å; F253-E263 HydrophobicContact CD1-CB 3.9Å; F253-E263 HydrophobicContact CD2-CB 3.78Å; F253-E263 HydrophobicContact CD2-CG 3.62Å; F253-E263 HydrophobicContact CE1-CB 4.34Å; F253-E263 HydrophobicContact CE2-CB 4.22Å; F253-E263 HydrophobicContact CE2-CG 4.05Å; F253-E263 HydrophobicContact CG-CB 3.6Å; F253-E263 HydrophobicContact CG-CG 3.95Å; F253-E263 HydrophobicContact CZ-CB 4.49Å; F253-F266 HydrophobicContact CE1-CB 4.32Å; F253-F266 HydrophobicContact CE2-CB 4.26Å; F253-F266 AromaticContact CE2-CD1 3.66Å; F253-F266 HydrophobicContact CE2-CD1 3.66Å; F253-F266 HydrophobicContact CE2-CE1 4.23Å; F253-F266 AromaticContact CE2-CG 3.96Å; F253-F266 HydrophobicContact CE2-CG 3.96Å; F253-F266 HydrophobicContact CZ-CB 3.56Å; F253-F266 AromaticContact CZ-CD1 3.78Å; F253-F266 HydrophobicContact CZ-CD1 3.78Å; F253-F266 HydrophobicContact CZ-CD2 4.2Å; F253-F266 AromaticContact CZ-CG 3.56Å; F253-F266 HydrophobicContact CZ-CG 3.56Å
254G93.6Very high93.6Very high25 Ų2536.7 Ų36.726%0.25819%0.192SC..  trans-73.1-150177.700000114.6R193 E259R193-G254 PolarHBondContact NH2-O 2.92Å; G254-E259 PolarHBondContact N-OE2 2.66Å
255N93.2Very high94.3Very high63 Ų6337.9 Ų37.934%0.33720%0.196SC..SBendtrans-129.23.2-176.16312.4000113.9R193 K194R193-N255 HydrophobicContact CG-CB 4.03Å; K194-N255 HydrophobicContact CG-CB 4.36Å
256T94.6Very high94.9Very high63 Ų6337.5 Ų37.539%0.38719%0.194SC..SBendtrans-74.9160.6171.666.20000110E258 E259 I260T256-E258 PolarHBondContact O-N 3.38Å; T256-E259 PolarHBondContact O-N 2.81Å; T256-E259 WeakPolarHBondContact OG1-CB 3.49Å; T256-E259 VanDerWaalsContact OG1-CG 3.24Å; T256-E259 WeakPolarHBondContact OG1-CG 3.3Å; T256-E259 PolarHBondContact OG1-N 2.81Å; T256-I260 WeakPolarHBondContact O-CG1 3.28Å; T256-I260 PolarHBondContact O-N 2.86Å
257A96.9Very high95.4Very high10 Ų1035.6 Ų35.68%0.08319%0.186CC..Hα-helixtrans-61.2-38178.400000111.1T84 F86 I190 I260 A261 I280 F301T84-A257 HydrophobicContact CG2-CB 3.97Å; F86-A257 HydrophobicContact CE2-CB 4.17Å; F86-A257 HydrophobicContact CZ-CB 3.95Å; F86-A257 VanDerWaalsContact CZ-O 3.28Å; F86-A257 WeakPolarHBondContact CZ-O 3.26Å; I190-A257 HydrophobicContact CD1-CB 4.04Å; A257-I260 PolarHBondContact O-N 3.39Å; A257-A261 WeakPolarHBondContact O-CB 3.38Å; A257-A261 PolarHBondContact O-N 2.84Å; A257-I280 HydrophobicContact CB-CD1 4.32Å; A257-I280 HydrophobicContact CB-CG2 4.05Å; A257-F301 HydrophobicContact CB-CD2 4.45Å; A257-F301 HydrophobicContact CB-CE2 4.32Å
258E97.7Very high96Very high66 Ų6635.4 Ų35.431%0.30819%0.185SC..Hα-helixtrans-65.3-42.1177.2-61.795.6135.500112.3T256 A261 Q262 I280 Q299 F301T256-E258 PolarHBondContact O-N 3.38Å; E258-A261 PolarHBondContact O-N 2.93Å; E258-Q262 WeakPolarHBondContact O-CG 3.48Å; E258-Q262 PolarHBondContact O-N 2.87Å; E258-I280 HydrophobicContact CG-CD1 4.33Å; E258-Q299 PolarHBondContact O-NE2 3.41Å; E258-F301 HydrophobicContact CG-CB 3.8Å; E258-F301 HydrophobicContact CG-CD2 4.43Å; E258-F301 HydrophobicContact CG-CG 4.13Å; E258-F301 WeakPolarHBondContact OE1-CD1 3.3Å; E258-F301 WeakPolarHBondContact OE1-CG 3.38Å
259E97.1Very high96.4Very high55 Ų5536.3 Ų36.326%0.25719%0.188SC..Hα-helixtrans-65.7-39.1176.1-75.5-70.9122.200111.7G254 T256 Q262 E263G254-E259 PolarHBondContact N-OE2 2.66Å; T256-E259 PolarHBondContact O-N 2.81Å; T256-E259 WeakPolarHBondContact OG1-CB 3.49Å; T256-E259 VanDerWaalsContact OG1-CG 3.24Å; T256-E259 WeakPolarHBondContact OG1-CG 3.3Å; T256-E259 PolarHBondContact OG1-N 2.81Å; E259-Q262 WeakPolarHBondContact O-CB 3.48Å; E259-Q262 PolarHBondContact O-N 2.55Å; E259-Q262 PolarHBondContact OE1-NE2 2.84Å; E259-Q262 PolarHBondContact OE1-OE1 3.3Å; E259-E263 PolarHBondContact O-N 3.12Å
260I97.9Very high96.7Very high0 Ų037.4 Ų37.40%019%0.192CC..Hα-helixtrans-67.5-37.8175.1-65.9168.7000110.8F86 Y170 L186 F189 I190 R193 T256 A257 Q262 E263 I264F86-I260 HydrophobicContact CE1-CG2 4.46Å; Y170-I260 HydrophobicContact CD1-CG2 4.07Å; Y170-I260 HydrophobicContact CE1-CG2 4.13Å; L186-I260 HydrophobicContact CD1-CG2 3.98Å; F189-I260 HydrophobicContact CD1-CD1 4.13Å; F189-I260 HydrophobicContact CE1-CD1 4.07Å; F189-I260 HydrophobicContact CE1-CG2 4.21Å; I190-I260 HydrophobicContact CB-CD1 4.5Å; I190-I260 HydrophobicContact CD1-CD1 4.5Å; I190-I260 HydrophobicContact CG1-CD1 3.52Å; R193-I260 HydrophobicContact CB-CD1 4.4Å; R193-I260 HydrophobicContact CG-CD1 4.08Å; T256-I260 WeakPolarHBondContact O-CG1 3.28Å; T256-I260 PolarHBondContact O-N 2.86Å; A257-I260 PolarHBondContact O-N 3.39Å; I260-Q262 VanDerWaalsContact C-N 3.33Å; I260-Q262 PolarHBondContact O-N 3.35Å; I260-E263 WeakPolarHBondContact O-CB 3.4Å; I260-E263 PolarHBondContact O-N 3.37Å; I260-I264 HydrophobicContact CG2-CD1 4.08Å; I260-I264 HydrophobicContact CG2-CG1 4.5Å; I260-I264 WeakPolarHBondContact O-CG1 3.4Å; I260-I264 PolarHBondContact O-N 3.45Å
261A98.6Very high96.9Very high0 Ų034.7 Ų34.70%019%0.189CC..Hα-helixtrans-62.8-40.3172.300000111.9F86 A257 E258 E263 I264 R265 I278 I280F86-A261 HydrophobicContact CD1-CB 4.34Å; F86-A261 HydrophobicContact CE1-CB 3.64Å; F86-A261 HydrophobicContact CZ-CB 4.48Å; A257-A261 WeakPolarHBondContact O-CB 3.38Å; A257-A261 PolarHBondContact O-N 2.84Å; E258-A261 PolarHBondContact O-N 2.93Å; A261-E263 VanDerWaalsContact C-N 3.33Å; A261-I264 PolarHBondContact O-N 3.42Å; A261-R265 WeakPolarHBondContact O-CB 3.15Å; A261-R265 VanDerWaalsContact O-CG 3.27Å; A261-R265 WeakPolarHBondContact O-CG 3.47Å; A261-R265 PolarHBondContact O-N 2.72Å; A261-I278 HydrophobicContact CB-CB 4.32Å; A261-I278 HydrophobicContact CB-CD1 4.2Å; A261-I278 HydrophobicContact CB-CG2 4Å; A261-I280 HydrophobicContact CB-CD1 3.75Å; A261-I280 HydrophobicContact CB-CG1 4.35Å
262Q98.4Very high97Very high74 Ų7433.3 Ų33.335%0.34618%0.181SC..Hα-helixtrans-62.9-42173.8-69.4174.338.800111F253 E258 E259 I260 R265 F266F253-Q262 HydrophobicContact CD1-CB 4.07Å; F253-Q262 HydrophobicContact CE1-CB 3.92Å; E258-Q262 WeakPolarHBondContact O-CG 3.48Å; E258-Q262 PolarHBondContact O-N 2.87Å; E259-Q262 WeakPolarHBondContact O-CB 3.48Å; E259-Q262 PolarHBondContact O-N 2.55Å; E259-Q262 PolarHBondContact OE1-NE2 2.84Å; E259-Q262 PolarHBondContact OE1-OE1 3.3Å; I260-Q262 VanDerWaalsContact C-N 3.33Å; I260-Q262 PolarHBondContact O-N 3.35Å; Q262-R265 PolarHBondContact O-N 2.69Å; Q262-F266 WeakPolarHBondContact O-CB 3.34Å; Q262-F266 PolarHBondContact O-N 3.12Å
263E98.2Very high97Very high4 Ų431.8 Ų31.82%0.01917%0.169CC..Hα-helixtrans-60.4-49.3175.7-172.6-176.2144.600111.6Y170 R193 H202 F253 E259 I260 A261 R265 F266 R267Y170-E263 PolarHBondContact OH-OE1 3.44Å; R193-E263 IonicContact CZ-OE2 2.87Å; R193-E263 VanDerWaalsContact CZ-OE2 3.23Å; R193-E263 IonicContact NH1-OE1 3.28Å; R193-E263 IonicContact NH1-OE2 3.85Å; R193-E263 PolarHBondContact NH1-OE2 3.47Å; R193-E263 IonicContact NH2-OE2 2.75Å; R193-E263 PolarHBondContact NH2-OE2 3.24Å; H202-E263 IonicContact CD2-OE1 3.38Å; H202-E263 IonicContact CE1-OE1 3.47Å; H202-E263 IonicContact NE2-OE1 3.45Å; H202-E263 PolarHBondContact NE2-OE1 3.25Å; F253-E263 HydrophobicContact CB-CB 3.98Å; F253-E263 HydrophobicContact CB-CG 4.32Å; F253-E263 HydrophobicContact CD1-CB 3.9Å; F253-E263 HydrophobicContact CD2-CB 3.78Å; F253-E263 HydrophobicContact CD2-CG 3.62Å; F253-E263 HydrophobicContact CE1-CB 4.34Å; F253-E263 HydrophobicContact CE2-CB 4.22Å; F253-E263 HydrophobicContact CE2-CG 4.05Å; F253-E263 HydrophobicContact CG-CB 3.6Å; F253-E263 HydrophobicContact CG-CG 3.95Å; F253-E263 HydrophobicContact CZ-CB 4.49Å; E259-E263 PolarHBondContact O-N 3.12Å; I260-E263 WeakPolarHBondContact O-CB 3.4Å; I260-E263 PolarHBondContact O-N 3.37Å; A261-E263 VanDerWaalsContact C-N 3.33Å; E263-R265 PolarHBondContact O-N 3.3Å; E263-F266 WeakPolarHBondContact O-CB 3.44Å; E263-F266 PolarHBondContact O-N 3.15Å; E263-R267 HydrophobicContact CG-CG 4.43Å; E263-R267 WeakPolarHBondContact O-CG 3.44Å; E263-R267 PolarHBondContact O-N 3.21Å
264I98.6Very high97.1Very high0 Ų031.6 Ų31.60%017%0.169CC..Hα-helixtrans-58.2-49.9178.4-70.4167.4000110.2F86 L167 Y170 L186 I260 A261 F266 R267 V268 I278F86-I264 HydrophobicContact CD1-CD1 4.26Å; F86-I264 HydrophobicContact CE1-CD1 4.36Å; L167-I264 HydrophobicContact CD2-CG2 3.49Å; L167-I264 VanDerWaalsContact CD2-CG2 3.49Å; Y170-I264 HydrophobicContact CD1-CD1 4.08Å; Y170-I264 HydrophobicContact CD1-CG1 4.04Å; Y170-I264 HydrophobicContact CD2-CD1 4.19Å; Y170-I264 HydrophobicContact CD2-CG1 3.84Å; Y170-I264 HydrophobicContact CE1-CD1 4.35Å; Y170-I264 HydrophobicContact CE1-CG1 3.83Å; Y170-I264 HydrophobicContact CE2-CD1 4.45Å; Y170-I264 HydrophobicContact CE2-CG1 3.62Å; Y170-I264 HydrophobicContact CG-CD1 4.02Å; Y170-I264 HydrophobicContact CG-CG1 4.06Å; L186-I264 HydrophobicContact CD1-CD1 3.95Å; I260-I264 HydrophobicContact CG2-CD1 4.08Å; I260-I264 HydrophobicContact CG2-CG1 4.5Å; I260-I264 WeakPolarHBondContact O-CG1 3.4Å; I260-I264 PolarHBondContact O-N 3.45Å; A261-I264 PolarHBondContact O-N 3.42Å; I264-F266 VanDerWaalsContact C-N 3.31Å; I264-F266 PolarHBondContact O-N 3.01Å; I264-R267 PolarHBondContact O-N 3.21Å; I264-V268 HydrophobicContact CG2-CG2 4.46Å; I264-V268 WeakPolarHBondContact O-CB 3.26Å; I264-V268 WeakPolarHBondContact O-CG2 3.48Å; I264-V268 PolarHBondContact O-N 3.08Å; I264-I278 HydrophobicContact CB-CD1 3.92Å; I264-I278 HydrophobicContact CG2-CD1 3.7Å
265R98.6Very high97.3Very high42 Ų4232 Ų3216%0.15817%0.166CC..Hα-helixtrans-59.1-44.1178.4-72.9171.256.4-126.2-14.5111.5A261 Q262 E263 V268 E269 C276 I278 N297A261-R265 WeakPolarHBondContact O-CB 3.15Å; A261-R265 VanDerWaalsContact O-CG 3.27Å; A261-R265 WeakPolarHBondContact O-CG 3.47Å; A261-R265 PolarHBondContact O-N 2.72Å; Q262-R265 PolarHBondContact O-N 2.69Å; E263-R265 PolarHBondContact O-N 3.3Å; R265-V268 PolarHBondContact O-N 2.95Å; R265-E269 WeakPolarHBondContact O-CB 3.32Å; R265-E269 PolarHBondContact O-N 3.41Å; R265-C276 PolarHBondContact NE-O 2.96Å; R265-I278 HydrophobicContact CG-CD1 3.61Å; R265-I278 HydrophobicContact CG-CG1 3.79Å; R265-N297 VanDerWaalsContact NH2-C 3.31Å; R265-N297 PolarHBondContact NH2-O 3.05Å; R265-N297 PolarHBondContact NH2-OD1 3.17Å
266F98.2Very high97.5Very high23 Ų2329 Ų2910%0.10115%0.15CC..Hα-helixtrans-59.7-50.4176.6166.7-94.9000111.5H202 R204 V251 F253 Q262 E263 I264 V268 E269 Q270H202-F266 HydrophobicContact CB-CD1 4.34Å; H202-F266 HydrophobicContact CB-CE1 3.51Å; H202-F266 HydrophobicContact CB-CZ 4.22Å; R204-F266 HydrophobicContact CB-CE2 3.7Å; R204-F266 HydrophobicContact CB-CZ 3.68Å; R204-F266 HydrophobicContact CG-CE2 3.72Å; R204-F266 HydrophobicContact CG-CZ 4.21Å; V251-F266 HydrophobicContact CG1-CD1 4.42Å; V251-F266 HydrophobicContact CG1-CD2 4.32Å; V251-F266 HydrophobicContact CG1-CE1 3.91Å; V251-F266 HydrophobicContact CG1-CE2 3.76Å; V251-F266 HydrophobicContact CG1-CZ 3.52Å; F253-F266 HydrophobicContact CE1-CB 4.32Å; F253-F266 HydrophobicContact CE2-CB 4.26Å; F253-F266 AromaticContact CE2-CD1 3.66Å; F253-F266 HydrophobicContact CE2-CD1 3.66Å; F253-F266 HydrophobicContact CE2-CE1 4.23Å; F253-F266 AromaticContact CE2-CG 3.96Å; F253-F266 HydrophobicContact CE2-CG 3.96Å; F253-F266 HydrophobicContact CZ-CB 3.56Å; F253-F266 AromaticContact CZ-CD1 3.78Å; F253-F266 HydrophobicContact CZ-CD1 3.78Å; F253-F266 HydrophobicContact CZ-CD2 4.2Å; F253-F266 AromaticContact CZ-CG 3.56Å; F253-F266 HydrophobicContact CZ-CG 3.56Å; Q262-F266 WeakPolarHBondContact O-CB 3.34Å; Q262-F266 PolarHBondContact O-N 3.12Å; E263-F266 WeakPolarHBondContact O-CB 3.44Å; E263-F266 PolarHBondContact O-N 3.15Å; I264-F266 VanDerWaalsContact C-N 3.31Å; I264-F266 PolarHBondContact O-N 3.01Å; F266-V268 VanDerWaalsContact C-N 3.34Å; F266-V268 PolarHBondContact O-N 3.27Å; F266-E269 PolarHBondContact O-N 3.48Å; F266-E269 VanDerWaalsContact O-N 3.16Å; F266-Q270 HydrophobicContact CD1-CG 4.25Å; F266-Q270 HydrophobicContact CD2-CG 4.09Å; F266-Q270 HydrophobicContact CE1-CG 3.75Å; F266-Q270 HydrophobicContact CE2-CG 3.59Å; F266-Q270 HydrophobicContact CG-CG 4.4Å; F266-Q270 HydrophobicContact CZ-CG 3.41Å; F266-Q270 VanDerWaalsContact CZ-CG 3.41Å; F266-Q270 VanDerWaalsContact O-CG 3.32Å; F266-Q270 WeakPolarHBondContact O-CG 3.48Å; F266-Q270 PolarHBondContact O-N 3.25Å
267R98.3Very high97.7Very high44 Ų4426 Ų2617%0.16613%0.132CC..Hα-helixtrans-63.4-40.4-179.4-70.4-179.671.4-172.5-3.6112.2I166 E169 Y170 E263 I264 E269 Q270 A271I166-R267 HydrophobicContact CG2-CB 4Å; E169-R267 IonicContact OE1-CZ 3.87Å; E169-R267 IonicContact OE1-NH2 2.95Å; E169-R267 PolarHBondContact OE1-NH2 3.02Å; E169-R267 IonicContact OE2-CZ 2.78Å; E169-R267 IonicContact OE2-NH1 2.8Å; E169-R267 PolarHBondContact OE2-NH1 3.31Å; E169-R267 IonicContact OE2-NH2 3.77Å; E169-R267 PolarHBondContact OE2-NH2 3.2Å; Y170-R267 WeakPolarHBondContact OH-CD 3.31Å; Y170-R267 PolarHBondContact OH-NH1 2.86Å; E263-R267 HydrophobicContact CG-CG 4.43Å; E263-R267 WeakPolarHBondContact O-CG 3.44Å; E263-R267 PolarHBondContact O-N 3.21Å; I264-R267 PolarHBondContact O-N 3.21Å; R267-E269 VanDerWaalsContact C-N 3.34Å; R267-Q270 PolarHBondContact O-N 3.46Å; R267-A271 VanDerWaalsContact O-CB 3.31Å; R267-A271 WeakPolarHBondContact O-CB 3.49Å; R267-A271 PolarHBondContact O-N 3.15Å
268V98.3Very high97.8Very high0 Ų025.6 Ų25.60%013%0.128CC..Hα-helixtrans-60.5-45173.7168.20000110.7M90 V163 I166 I264 R265 F266 A271 T272M90-V268 HydrophobicContact CE-CG1 3.84Å; M90-V268 HydrophobicContact SD-CG1 3.95Å; V163-V268 HydrophobicContact CG1-CG2 4.12Å; V163-V268 HydrophobicContact CG2-CG1 4.08Å; I166-V268 HydrophobicContact CD1-CG2 4.44Å; I264-V268 HydrophobicContact CG2-CG2 4.46Å; I264-V268 WeakPolarHBondContact O-CB 3.26Å; I264-V268 WeakPolarHBondContact O-CG2 3.48Å; I264-V268 PolarHBondContact O-N 3.08Å; R265-V268 PolarHBondContact O-N 2.95Å; F266-V268 VanDerWaalsContact C-N 3.34Å; F266-V268 PolarHBondContact O-N 3.27Å; V268-A271 PolarHBondContact O-N 3.09Å; V268-T272 WeakPolarHBondContact O-CB 3.37Å; V268-T272 WeakPolarHBondContact O-CG2 3.27Å; V268-T272 PolarHBondContact O-N 3.16Å; V268-T272 PolarHBondContact O-OG1 2.88Å
269E97.9Very high97.9Very high45 Ų4522.4 Ų22.421%0.2111%0.113CC..Hα-helixtrans-65.3-43.8178.4-162.2-171.1-150.100112.1P216 R265 F266 R267 A271 Q273 L274 T275P216-E269 HydrophobicContact CG-CG 3.92Å; R265-E269 WeakPolarHBondContact O-CB 3.32Å; R265-E269 PolarHBondContact O-N 3.41Å; F266-E269 PolarHBondContact O-N 3.48Å; F266-E269 VanDerWaalsContact O-N 3.16Å; R267-E269 VanDerWaalsContact C-N 3.34Å; E269-A271 PolarHBondContact O-N 3.25Å; E269-Q273 WeakPolarHBondContact O-CA 3.46Å; E269-Q273 PolarHBondContact O-N 3.19Å; E269-L274 VanDerWaalsContact CA-O 3.25Å; E269-L274 WeakPolarHBondContact CA-O 3.44Å; E269-T275 HydrophobicContact CG-CG2 4.43Å
270Q96.2Very high97.9Very high46 Ų4619.8 Ų19.822%0.21510%0.101CC..Hα-helixtrans-61.7-42.8176.9-69.6-60.9-63.200112.2V205 F266 R267V205-Q270 PolarHBondContact O-NE2 2.89Å; V205-Q270 PolarHBondContact O-OE1 3.46Å; F266-Q270 HydrophobicContact CD1-CG 4.25Å; F266-Q270 HydrophobicContact CD2-CG 4.09Å; F266-Q270 HydrophobicContact CE1-CG 3.75Å; F266-Q270 HydrophobicContact CE2-CG 3.59Å; F266-Q270 HydrophobicContact CG-CG 4.4Å; F266-Q270 HydrophobicContact CZ-CG 3.41Å; F266-Q270 VanDerWaalsContact CZ-CG 3.41Å; F266-Q270 VanDerWaalsContact O-CG 3.32Å; F266-Q270 WeakPolarHBondContact O-CG 3.48Å; F266-Q270 PolarHBondContact O-N 3.25Å; R267-Q270 PolarHBondContact O-N 3.46Å
271A96.6Very high97.9Very high58 Ų5819.8 Ų19.848%0.47910%0.101SC..Hα-helixtrans-76.7-36.1-177.100000113.1I166 R267 V268 E269I166-A271 HydrophobicContact CD1-CB 3.58Å; R267-A271 VanDerWaalsContact O-CB 3.31Å; R267-A271 WeakPolarHBondContact O-CB 3.49Å; R267-A271 PolarHBondContact O-N 3.15Å; V268-A271 PolarHBondContact O-N 3.09Å; E269-A271 PolarHBondContact O-N 3.25Å
272T96.7Very high97.8Very high0 Ų020.1 Ų20.10%010%0.103CC..Hα-helixtrans-113.5-16.5-167.971.40000114.5R100 I159 Q162 V163 V268 L274R100-T272 WeakPolarHBondContact CD-O 3.44Å; R100-T272 PolarHBondContact NH1-O 2.93Å; I159-T272 HydrophobicContact CG2-CG2 4.05Å; Q162-T272 HydrophobicContact CB-CG2 4.45Å; V163-T272 HydrophobicContact CG2-CG2 3.92Å; V268-T272 WeakPolarHBondContact O-CB 3.37Å; V268-T272 WeakPolarHBondContact O-CG2 3.27Å; V268-T272 PolarHBondContact O-N 3.16Å; V268-T272 PolarHBondContact O-OG1 2.88Å; T272-L274 PolarHBondContact O-N 2.92Å; T272-L274 WeakPolarHBondContact OG1-CB 3.27Å; T272-L274 PolarHBondContact OG1-N 3.03Å; T272-L274 VanDerWaalsContact OG1-N 3.16Å
273Q95.7Very high97.6Very high39 Ų3917.5 Ų17.518%0.1829%0.091CC..SBendtrans62.919.2-167.4-49.4-176.829.600114.2R100 N215 E269R100-Q273 HydrophobicContact CG-CB 4.03Å; N215-Q273 HydrophobicContact CB-CB 4.14Å; N215-Q273 VanDerWaalsContact O-CG 3.31Å; N215-Q273 WeakPolarHBondContact O-CG 3.25Å; E269-Q273 WeakPolarHBondContact O-CA 3.46Å; E269-Q273 PolarHBondContact O-N 3.19Å
274L97.3Very high97.5Very high7 Ų717.7 Ų17.74%0.0379%0.094CC..  trans-120.1151179.9-49.9178.6000110.2M90 F93 A96 V97 R100 I159 E269 T272M90-L274 HydrophobicContact CE-CB 3.75Å; M90-L274 HydrophobicContact CE-CD1 4.19Å; F93-L274 HydrophobicContact CD2-CD1 4.25Å; F93-L274 HydrophobicContact CE2-CD1 4.02Å; A96-L274 HydrophobicContact CB-CD2 3.93Å; A96-L274 WeakPolarHBondContact O-CD2 3.46Å; V97-L274 HydrophobicContact CG2-CD1 3.64Å; R100-L274 HydrophobicContact CB-CD2 3.97Å; I159-L274 HydrophobicContact CG2-CD1 3.72Å; E269-L274 VanDerWaalsContact CA-O 3.25Å; E269-L274 WeakPolarHBondContact CA-O 3.44Å; T272-L274 PolarHBondContact O-N 2.92Å; T272-L274 WeakPolarHBondContact OG1-CB 3.27Å; T272-L274 PolarHBondContact OG1-N 3.03Å; T272-L274 VanDerWaalsContact OG1-N 3.16Å
275T98Very high97.3Very high34 Ų3418.6 Ų18.621%0.20910%0.099CC..  trans-97153.4177.666.80000111.4D91 E269 N297D91-T275 WeakPolarHBondContact CB-OG1 3.35Å; D91-T275 PolarHBondContact N-O 3.25Å; D91-T275 WeakPolarHBondContact OD2-CB 3.27Å; D91-T275 PolarHBondContact OD2-OG1 3.28Å; E269-T275 HydrophobicContact CG-CG2 4.43Å; T275-N297 HydrophobicContact CG2-CB 3.94Å; T275-N297 VanDerWaalsContact CG2-CG 3.5Å
276C98.5Very high97.2Very high0 Ų016.6 Ų16.60%09%0.091CC..EExtended strand (participates in β ladder)trans-128.8159.3166.464.60000110.6V88 M90 D91 R265V88-C276 HydrophobicContact CG1-CB 4.03Å; M90-C276 HydrophobicContact SD-CB 3.65Å; D91-C276 WeakPolarHBondContact OD2-CA 3.27Å; D91-C276 PolarHBondContact OD2-N 3.26Å; R265-C276 PolarHBondContact NE-O 2.96Å
277S98.7Very high97.2Very high0 Ų015.5 Ų15.50%09%0.086CC..EExtended strand (participates in β ladder)trans-112.5143171.5-58.50000110.3D89 D91 K295 N297 G298D89-S277 PolarHBondContact N-O 2.92Å; D89-S277 PolarHBondContact O-N 3.31Å; D91-S277 PolarHBondContact OD1-OG 3.05Å; D91-S277 PolarHBondContact OD2-OG 3.12Å; S277-K295 VanDerWaalsContact CB-CG 3.48Å; S277-K295 VanDerWaalsContact OG-CG 3.26Å; S277-K295 WeakPolarHBondContact OG-CG 3.5Å; S277-N297 PolarHBondContact OG-N 2.94Å; S277-N297 VanDerWaalsContact OG-N 3.09Å; S277-G298 CarbonylContact C-O 3.51Å; S277-G298 WeakPolarHBondContact CA-O 3.34Å; S277-G298 WeakPolarHBondContact CB-O 3.29Å; S277-G298 PolarHBondContact OG-N 2.77Å
278I98.8Very high97.1Very high0 Ų015.1 Ų15.10%09%0.086CC..EExtended strand (participates in β ladder)trans-124.9130.7-173.3-60.7-172.2000110.9F86 H87 V88 A261 I264 R265 I280 G298 Q299 F300F86-I278 HydrophobicContact CB-CG2 4.44Å; F86-I278 HydrophobicContact CD1-CG2 3.62Å; F86-I278 HydrophobicContact CE1-CG2 4.29Å; F86-I278 HydrophobicContact CG-CG2 4.32Å; H87-I278 CarbonylContact O-C 3.59Å; H87-I278 WeakPolarHBondContact O-CA 3.39Å; V88-I278 HydrophobicContact CB-CG1 4.47Å; V88-I278 HydrophobicContact CG1-CG1 4.33Å; V88-I278 HydrophobicContact CG2-CD1 3.99Å; V88-I278 HydrophobicContact CG2-CG1 4.06Å; A261-I278 HydrophobicContact CB-CB 4.32Å; A261-I278 HydrophobicContact CB-CD1 4.2Å; A261-I278 HydrophobicContact CB-CG2 4Å; I264-I278 HydrophobicContact CB-CD1 3.92Å; I264-I278 HydrophobicContact CG2-CD1 3.7Å; R265-I278 HydrophobicContact CG-CD1 3.61Å; R265-I278 HydrophobicContact CG-CG1 3.79Å; I278-I280 HydrophobicContact CG2-CG1 4.12Å; I278-G298 PolarHBondContact N-O 2.75Å; I278-Q299 HydrophobicContact CB-CB 4.29Å; I278-Q299 CarbonylContact O-C 3.55Å; I278-Q299 WeakPolarHBondContact O-CA 3.29Å; I278-Q299 VanDerWaalsContact O-CB 3.3Å; I278-Q299 WeakPolarHBondContact O-CB 3.27Å; I278-F300 PolarHBondContact O-N 3.1Å
279G98.7Very high97Very high0 Ų015.7 Ų15.70%09%0.089CC..EExtended strand (participates in β ladder)trans-104.8136.9167.400000110.5F86 H87 A287 S291F86-G279 CarbonylContact C-O 3.51Å; F86-G279 WeakPolarHBondContact CA-O 3.4Å; H87-G279 PolarHBondContact N-O 3.1Å; H87-G279 PolarHBondContact O-N 3.23Å; G279-A287 WeakPolarHBondContact CA-O 2.89Å; G279-S291 VanDerWaalsContact CA-N 3.31Å; G279-S291 VanDerWaalsContact N-CB 3.29Å
280I98.7Very high96.9Very high0 Ų013.5 Ų13.50%08%0.079CC..EExtended strand (participates in β ladder)trans-121.6124.5179.5-47.3163.7000107.8T84 V85 F86 A257 E258 A261 I278 F300 F301 L302 F304T84-I280 HydrophobicContact CG2-CG2 3.9Å; V85-I280 WeakPolarHBondContact O-CA 3.4Å; F86-I280 HydrophobicContact CD1-CG1 4.2Å; F86-I280 HydrophobicContact CD2-CG1 4.43Å; F86-I280 HydrophobicContact CD2-CG2 4.02Å; F86-I280 HydrophobicContact CE1-CD1 4.19Å; F86-I280 HydrophobicContact CE1-CG1 4Å; F86-I280 HydrophobicContact CE2-CG1 4.21Å; F86-I280 HydrophobicContact CE2-CG2 3.66Å; F86-I280 HydrophobicContact CG-CG1 4.41Å; F86-I280 HydrophobicContact CZ-CD1 4.06Å; F86-I280 HydrophobicContact CZ-CG1 3.99Å; F86-I280 HydrophobicContact CZ-CG2 4.14Å; A257-I280 HydrophobicContact CB-CD1 4.32Å; A257-I280 HydrophobicContact CB-CG2 4.05Å; E258-I280 HydrophobicContact CG-CD1 4.33Å; A261-I280 HydrophobicContact CB-CD1 3.75Å; A261-I280 HydrophobicContact CB-CG1 4.35Å; I278-I280 HydrophobicContact CG2-CG1 4.12Å; I280-F300 PolarHBondContact N-O 2.91Å; I280-F301 HydrophobicContact CB-CB 4.48Å; I280-F301 HydrophobicContact CB-CD2 3.81Å; I280-F301 HydrophobicContact CD1-CB 4.32Å; I280-F301 HydrophobicContact CD1-CD2 4.19Å; I280-F301 HydrophobicContact CG2-CD2 3.6Å; I280-F301 HydrophobicContact CG2-CE2 4Å; I280-L302 PolarHBondContact O-N 3.22Å; I280-F304 HydrophobicContact CG2-CZ 4.46Å
281A97.6Very high97Very high0 Ų011.4 Ų11.40%07%0.07CC..EExtended strand (participates in β ladder)trans-154.8177.2178.800000111V85 N283 L286 A287 L302V85-A281 WeakPolarHBondContact CA-O 3.33Å; V85-A281 PolarHBondContact N-O 3.29Å; V85-A281 PolarHBondContact O-N 3.17Å; A281-N283 VanDerWaalsContact C-N 3.26Å; A281-N283 PolarHBondContact O-N 2.58Å; A281-L286 HydrophobicContact CB-CB 3.45Å; A281-L286 VanDerWaalsContact CB-CB 3.45Å; A281-A287 HydrophobicContact CB-CB 4.06Å; A281-L302 HydrophobicContact CB-CB 4.34Å
282C95.5Very high96.9Very high6 Ų611.3 Ų11.34%0.0416%0.061CC..SBendtrans-76.2-8177.261.30000114.9L81 H83 F304 I309L81-C282 HydrophobicContact CD2-CB 3.92Å; L81-C282 VanDerWaalsContact CD2-SG 3.54Å; H83-C282 WeakPolarHBondContact O-CA 3.49Å; C282-F304 HydrophobicContact CB-CD1 4.05Å; C282-F304 HydrophobicContact CB-CE1 4.41Å; C282-F304 HydrophobicContact CB-CG 4.3Å; C282-I309 VanDerWaalsContact SG-CD1 3.57Å
283N95.2Very high96.8Very high19 Ų1914.5 Ų14.510%0.1028%0.078CC..SBendtrans-154.1165.3177.761.564.6000112.4A281 M285 L286 A287 G368 D370A281-N283 VanDerWaalsContact C-N 3.26Å; A281-N283 PolarHBondContact O-N 2.58Å; N283-M285 PolarHBondContact O-N 3.14Å; N283-M285 PolarHBondContact OD1-N 3.29Å; N283-L286 PolarHBondContact O-N 3.46Å; N283-L286 WeakPolarHBondContact OD1-CB 3.44Å; N283-L286 WeakPolarHBondContact OD1-CG 3.29Å; N283-L286 PolarHBondContact OD1-N 3.04Å; N283-A287 VanDerWaalsContact O-CB 3.31Å; N283-A287 WeakPolarHBondContact O-CB 3.35Å; N283-A287 PolarHBondContact O-N 2.98Å; N283-G368 PolarHBondContact ND2-O 3.15Å; N283-D370 HydrophobicContact CB-CB 3.83Å
284G94.5Very high96.9Very high8 Ų816.5 Ų16.58%0.0829%0.09CC..Hα-helixtrans-63.4-42.1-174.600000113.9A287 K288G284-A287 PolarHBondContact O-N 2.71Å; G284-K288 WeakPolarHBondContact O-CB 3.42Å; G284-K288 PolarHBondContact O-N 3.33Å
285M95Very high96.8Very high19 Ų1917 Ų179%0.0949%0.092CC..Hα-helixtrans-57.3-50.7176.8-177.7-78.3-64.300112.1N283 K288 V289 I321 D370N283-M285 PolarHBondContact O-N 3.14Å; N283-M285 PolarHBondContact OD1-N 3.29Å; M285-K288 PolarHBondContact O-N 2.74Å; M285-V289 WeakPolarHBondContact O-CG2 3.38Å; M285-V289 PolarHBondContact O-N 2.91Å; M285-V289 HydrophobicContact SD-CG2 4.43Å; M285-I321 HydrophobicContact SD-CD1 3.94Å; M285-D370 HydrophobicContact CB-CB 4.14Å; M285-D370 PolarHBondContact N-OD2 2.96Å
286L97Very high96.7Very high0 Ų018.4 Ų18.40%010%0.101CC..Hα-helixtrans-68.2-42.1178.7-68.9175.8000111.7A281 N283 K288 V289 C290 L302 I309 F312 V313 G368A281-L286 HydrophobicContact CB-CB 3.45Å; A281-L286 VanDerWaalsContact CB-CB 3.45Å; N283-L286 PolarHBondContact O-N 3.46Å; N283-L286 WeakPolarHBondContact OD1-CB 3.44Å; N283-L286 WeakPolarHBondContact OD1-CG 3.29Å; N283-L286 PolarHBondContact OD1-N 3.04Å; L286-K288 VanDerWaalsContact C-N 3.27Å; L286-K288 PolarHBondContact O-N 3.13Å; L286-V289 PolarHBondContact O-N 3.26Å; L286-V289 VanDerWaalsContact O-N 3.11Å; L286-C290 WeakPolarHBondContact O-CB 3.4Å; L286-C290 PolarHBondContact O-N 3.25Å; L286-C290 PolarHBondContact O-SG 3.13Å; L286-L302 HydrophobicContact CB-CD2 4.18Å; L286-L302 HydrophobicContact CD1-CD2 3.88Å; L286-L302 HydrophobicContact CD2-CD2 4.13Å; L286-L302 HydrophobicContact CG-CD2 4.29Å; L286-I309 HydrophobicContact CD1-CG1 4.35Å; L286-I309 HydrophobicContact CD1-CG2 3.8Å; L286-F312 HydrophobicContact CD2-CD1 4.23Å; L286-F312 HydrophobicContact CD2-CE1 4.17Å; L286-V313 HydrophobicContact CD2-CG2 3.77Å; L286-G368 WeakPolarHBondContact CD1-O 3.27Å
287A97.3Very high96.6Very high0 Ų021.5 Ų21.50%012%0.118CC..Hα-helixtrans-59-41.5178.800000110.8V85 H87 G279 A281 N283 G284 V289 C290 S291V85-A287 HydrophobicContact CB-CB 4.44Å; V85-A287 HydrophobicContact CG1-CB 4.11Å; H87-A287 HydrophobicContact CB-CB 3.91Å; G279-A287 WeakPolarHBondContact CA-O 2.89Å; A281-A287 HydrophobicContact CB-CB 4.06Å; N283-A287 VanDerWaalsContact O-CB 3.31Å; N283-A287 WeakPolarHBondContact O-CB 3.35Å; N283-A287 PolarHBondContact O-N 2.98Å; G284-A287 PolarHBondContact O-N 2.71Å; A287-V289 PolarHBondContact O-N 2.75Å; A287-C290 PolarHBondContact O-N 3.4Å; A287-S291 PolarHBondContact O-N 2.87Å
288K96.2Very high96.6Very high37 Ų3722.1 Ų22.116%0.16112%0.124CC..Hα-helixtrans-59.3-48.5174.2-176.1173.8-159.9530112.4H87 E181 Y183 G284 M285 L286 C290 S291 C322H87-K288 PolarHBondContact CE1-NZ 2.94Å; H87-K288 PolarHBondContact NE2-NZ 2.88Å; E181-K288 IonicContact OE2-NZ 2.66Å; E181-K288 PolarHBondContact OE2-NZ 3.48Å; Y183-K288 HydrophobicContact CE1-CB 4.26Å; Y183-K288 WeakPolarHBondContact OH-CD 3.29Å; G284-K288 WeakPolarHBondContact O-CB 3.42Å; G284-K288 PolarHBondContact O-N 3.33Å; M285-K288 PolarHBondContact O-N 2.74Å; L286-K288 VanDerWaalsContact C-N 3.27Å; L286-K288 PolarHBondContact O-N 3.13Å; K288-C290 VanDerWaalsContact C-N 3.29Å; K288-C290 PolarHBondContact O-N 2.65Å; K288-S291 PolarHBondContact O-N 3.12Å; K288-S291 PolarHBondContact O-OG 3.4Å; K288-C322 HydrophobicContact CD-CB 3.88Å
289V96Very high96.6Very high11 Ų1123.6 Ų23.67%0.06713%0.131CC..Hα-helixtrans-59.5-44.3177.8176.40000110.4M285 L286 A287 S291 D292 F312 L316 I321M285-V289 WeakPolarHBondContact O-CG2 3.38Å; M285-V289 PolarHBondContact O-N 2.91Å; M285-V289 HydrophobicContact SD-CG2 4.43Å; L286-V289 PolarHBondContact O-N 3.26Å; L286-V289 VanDerWaalsContact O-N 3.11Å; A287-V289 PolarHBondContact O-N 2.75Å; V289-S291 VanDerWaalsContact C-N 3.33Å; V289-S291 PolarHBondContact O-N 3.49Å; V289-D292 PolarHBondContact O-N 3.47Å; V289-F312 HydrophobicContact CG1-CE1 4.08Å; V289-F312 HydrophobicContact CG1-CZ 3.86Å; V289-L316 HydrophobicContact CG1-CD1 3.83Å; V289-L316 HydrophobicContact CG1-CD2 3.79Å; V289-L316 HydrophobicContact CG1-CG 4.49Å; V289-L316 HydrophobicContact CG2-CD2 4.14Å; V289-I321 HydrophobicContact CG2-CD1 4.37Å
290C97.5Very high96.6Very high0 Ų026.4 Ų26.40%014%0.143CC..Hα-helixtrans-60.5-40.4-179.6-67.10000112.4L286 A287 K288 D292 I293 F300L286-C290 WeakPolarHBondContact O-CB 3.4Å; L286-C290 PolarHBondContact O-N 3.25Å; L286-C290 PolarHBondContact O-SG 3.13Å; A287-C290 PolarHBondContact O-N 3.4Å; K288-C290 VanDerWaalsContact C-N 3.29Å; K288-C290 PolarHBondContact O-N 2.65Å; C290-D292 PolarHBondContact O-N 2.74Å; C290-D292 VanDerWaalsContact O-N 3.08Å; C290-I293 PolarHBondContact O-N 2.84Å; C290-I293 VanDerWaalsContact O-N 3.12Å; C290-F300 HydrophobicContact CB-CB 4.17Å; C290-F300 HydrophobicContact CB-CD1 3.85Å; C290-F300 HydrophobicContact CB-CG 4.44Å; C290-F300 WeakPolarHBondContact O-CB 3.35Å
291S97.4Very high96.6Very high2 Ų229.6 Ų29.61%0.01416%0.157CC..Hα-helixtrans-61.9-21.4-178.975.20000113.7H87 G279 A287 K288 V289 K295H87-S291 PolarHBondContact CE1-OG 2.9Å; H87-S291 VanDerWaalsContact ND1-CB 3.27Å; H87-S291 WeakPolarHBondContact ND1-CB 3.31Å; H87-S291 PolarHBondContact ND1-OG 2.96Å; H87-S291 WeakPolarHBondContact O-CB 3.3Å; G279-S291 VanDerWaalsContact CA-N 3.31Å; G279-S291 VanDerWaalsContact N-CB 3.29Å; A287-S291 PolarHBondContact O-N 2.87Å; K288-S291 PolarHBondContact O-N 3.12Å; K288-S291 PolarHBondContact O-OG 3.4Å; V289-S291 VanDerWaalsContact C-N 3.33Å; V289-S291 PolarHBondContact O-N 3.49Å; S291-K295 WeakPolarHBondContact O-CE 3.26Å; S291-K295 WeakPolarHBondContact O-CG 3.48Å
292D95.1Very high96.6Very high56 Ų5630 Ų3030%0.29916%0.159SC..THydrogen-bonded Turntrans-90.3-14.8-177.2-117.218.5000112.9V289 C290 K295V289-D292 PolarHBondContact O-N 3.47Å; C290-D292 PolarHBondContact O-N 2.74Å; C290-D292 VanDerWaalsContact O-N 3.08Å; D292-K295 WeakPolarHBondContact OD1-CD 3.45Å; D292-K295 WeakPolarHBondContact OD1-CE 3.49Å
293I94.8Very high96.7Very high67 Ų6735 Ų3534%0.34418%0.182SC..THydrogen-bonded Turntrans-70-52.9-172.5-63.9176.9000111.2C290 F300 F312C290-I293 PolarHBondContact O-N 2.84Å; C290-I293 VanDerWaalsContact O-N 3.12Å; I293-F300 HydrophobicContact CB-CB 4.34Å; I293-F300 HydrophobicContact CB-CD2 4.18Å; I293-F300 HydrophobicContact CB-CG 4.29Å; I293-F300 HydrophobicContact CD1-CD1 3.78Å; I293-F300 HydrophobicContact CD1-CD2 3.98Å; I293-F300 HydrophobicContact CD1-CE1 3.89Å; I293-F300 HydrophobicContact CD1-CE2 4.09Å; I293-F300 HydrophobicContact CD1-CG 3.82Å; I293-F300 HydrophobicContact CD1-CZ 4.05Å; I293-F300 HydrophobicContact CG2-CD2 3.77Å; I293-F300 HydrophobicContact CG2-CE2 4.15Å; I293-F300 HydrophobicContact CG2-CG 4.38Å; I293-F312 HydrophobicContact CD1-CE2 3.73Å; I293-F312 HydrophobicContact CD1-CZ 3.86Å
294N96.2Very high96.8Very high81 Ų8136.7 Ų36.743%0.43319%0.188SC..THydrogen-bonded Turntrans-99.923.4-174.2-72.9-19.8000113G298 Q299N294-G298 WeakPolarHBondContact O-CA 3.34Å; N294-G298 PolarHBondContact O-N 3.21Å; N294-Q299 PolarHBondContact ND2-O 3.05Å
295K95.8Very high96.9Very high18 Ų1839.2 Ų39.28%0.07820%0.2CC..  trans-69.5141.8174.8-90.4178.5-175.4-740112.1A8 D89 D91 S277 S291 D292A8-K295 HydrophobicContact CB-CB 3.37Å; A8-K295 HydrophobicContact CB-CD 4.17Å; A8-K295 HydrophobicContact CB-CG 4.37Å; D89-K295 VanDerWaalsContact CB-NZ 3.31Å; D89-K295 VanDerWaalsContact CG-CE 3.48Å; D89-K295 PolarHBondContact O-NZ 3.22Å; D89-K295 WeakPolarHBondContact OD1-CE 3.41Å; D89-K295 IonicContact OD1-NZ 3.98Å; D89-K295 PolarHBondContact OD1-NZ 3.19Å; D89-K295 IonicContact OD2-NZ 2.76Å; D91-K295 IonicContact OD1-NZ 3.14Å; D91-K295 PolarHBondContact OD1-NZ 2.66Å; S277-K295 VanDerWaalsContact CB-CG 3.48Å; S277-K295 VanDerWaalsContact OG-CG 3.26Å; S277-K295 WeakPolarHBondContact OG-CG 3.5Å; S291-K295 WeakPolarHBondContact O-CE 3.26Å; S291-K295 WeakPolarHBondContact O-CG 3.48Å; D292-K295 WeakPolarHBondContact OD1-CD 3.45Å; D292-K295 WeakPolarHBondContact OD1-CE 3.49Å
296P96.4Very high97Very high63 Ų6344 Ų4441%0.40922%0.217SC..SBendcis-86.1164.9-4.330.7-31.1000114.7D91 Y123 G298D91-P296 HydrophobicContact CB-CB 4.07Å; Y123-P296 HydrophobicContact CD1-CG 4.24Å; Y123-P296 HydrophobicContact CD2-CB 4.24Å; Y123-P296 HydrophobicContact CD2-CG 4.18Å; Y123-P296 HydrophobicContact CE1-CB 4.14Å; Y123-P296 HydrophobicContact CE1-CG 4.05Å; Y123-P296 HydrophobicContact CE2-CB 3.57Å; Y123-P296 HydrophobicContact CE2-CG 3.97Å; Y123-P296 HydrophobicContact CG-CG 4.33Å; P296-G298 VanDerWaalsContact C-N 3.28Å; P296-G298 PolarHBondContact O-N 2.92Å
297N96.8Very high97Very high65 Ų6548.8 Ų48.835%0.34825%0.246SC..SBendtrans49.346.3173-164.324000113D91 R265 T275 S277D91-N297 WeakPolarHBondContact OD2-CA 3.45Å; D91-N297 PolarHBondContact OD2-N 3.1Å; R265-N297 VanDerWaalsContact NH2-C 3.31Å; R265-N297 PolarHBondContact NH2-O 3.05Å; R265-N297 PolarHBondContact NH2-OD1 3.17Å; T275-N297 HydrophobicContact CG2-CB 3.94Å; T275-N297 VanDerWaalsContact CG2-CG 3.5Å; S277-N297 PolarHBondContact OG-N 2.94Å; S277-N297 VanDerWaalsContact OG-N 3.09Å
298G97.8Very high97.1Very high12 Ų1251.3 Ų51.312%0.12426%0.261CS..  trans-137.9173.3-178.800000111.9S277 I278 N294 P296S277-G298 CarbonylContact C-O 3.51Å; S277-G298 WeakPolarHBondContact CA-O 3.34Å; S277-G298 WeakPolarHBondContact CB-O 3.29Å; S277-G298 PolarHBondContact OG-N 2.77Å; I278-G298 PolarHBondContact N-O 2.75Å; N294-G298 WeakPolarHBondContact O-CA 3.34Å; N294-G298 PolarHBondContact O-N 3.21Å; P296-G298 VanDerWaalsContact C-N 3.28Å; P296-G298 PolarHBondContact O-N 2.92Å
299Q98.5Very high97.2Very high32 Ų3249.5 Ų49.515%0.1525%0.254CS..EExtended strand (participates in β ladder)trans-139.2156.9175.465.9-167.561.500110.7E258 I278 N294E258-Q299 PolarHBondContact O-NE2 3.41Å; I278-Q299 HydrophobicContact CB-CB 4.29Å; I278-Q299 CarbonylContact O-C 3.55Å; I278-Q299 WeakPolarHBondContact O-CA 3.29Å; I278-Q299 VanDerWaalsContact O-CB 3.3Å; I278-Q299 WeakPolarHBondContact O-CB 3.27Å; N294-Q299 PolarHBondContact ND2-O 3.05Å
300F98.6Very high97.2Very high58 Ų5850.2 Ų50.225%0.25426%0.257SS..EExtended strand (participates in β ladder)trans-138.4126.2176.5-170.5-84.7000109.7I278 I280 C290 I293 L302 F312I278-F300 PolarHBondContact O-N 3.1Å; I280-F300 PolarHBondContact N-O 2.91Å; C290-F300 HydrophobicContact CB-CB 4.17Å; C290-F300 HydrophobicContact CB-CD1 3.85Å; C290-F300 HydrophobicContact CB-CG 4.44Å; C290-F300 WeakPolarHBondContact O-CB 3.35Å; I293-F300 HydrophobicContact CB-CB 4.34Å; I293-F300 HydrophobicContact CB-CD2 4.18Å; I293-F300 HydrophobicContact CB-CG 4.29Å; I293-F300 HydrophobicContact CD1-CD1 3.78Å; I293-F300 HydrophobicContact CD1-CD2 3.98Å; I293-F300 HydrophobicContact CD1-CE1 3.89Å; I293-F300 HydrophobicContact CD1-CE2 4.09Å; I293-F300 HydrophobicContact CD1-CG 3.82Å; I293-F300 HydrophobicContact CD1-CZ 4.05Å; I293-F300 HydrophobicContact CG2-CD2 3.77Å; I293-F300 HydrophobicContact CG2-CE2 4.15Å; I293-F300 HydrophobicContact CG2-CG 4.38Å; F300-L302 HydrophobicContact CE1-CB 4.27Å; F300-F312 HydrophobicContact CE1-CE2 4.18Å; F300-F312 HydrophobicContact CZ-CE2 4.41Å
301F98.6Very high97.2Very high68 Ų6854.9 Ų54.930%0.29828%0.282SS..EExtended strand (participates in β ladder)trans-102.1121.2174176.3-100.6000109A257 E258 I280 E303 F304A257-F301 HydrophobicContact CB-CD2 4.45Å; A257-F301 HydrophobicContact CB-CE2 4.32Å; E258-F301 HydrophobicContact CG-CB 3.8Å; E258-F301 HydrophobicContact CG-CD2 4.43Å; E258-F301 HydrophobicContact CG-CG 4.13Å; E258-F301 WeakPolarHBondContact OE1-CD1 3.3Å; E258-F301 WeakPolarHBondContact OE1-CG 3.38Å; I280-F301 HydrophobicContact CB-CB 4.48Å; I280-F301 HydrophobicContact CB-CD2 3.81Å; I280-F301 HydrophobicContact CD1-CB 4.32Å; I280-F301 HydrophobicContact CD1-CD2 4.19Å; I280-F301 HydrophobicContact CG2-CD2 3.6Å; I280-F301 HydrophobicContact CG2-CE2 4Å; F301-E303 HydrophobicContact CE1-CB 4.18Å; F301-F304 AromaticContact CE2-CE1 3.84Å; F301-F304 HydrophobicContact CE2-CE1 3.84Å; F301-F304 AromaticContact CE2-CZ 3.93Å; F301-F304 HydrophobicContact CE2-CZ 3.93Å; F301-F304 HydrophobicContact CZ-CD1 4.42Å; F301-F304 HydrophobicContact CZ-CE1 4.17Å; F301-F304 HydrophobicContact CZ-CZ 4.45Å
302L98.4Very high97.2Very high7 Ų756.5 Ų56.54%0.03729%0.289CS..PPolyproline II helixtrans-96.7117.9169.4-179.763.4000108.4I280 A281 L286 F300 F304 V308 I309 F312I280-L302 PolarHBondContact O-N 3.22Å; A281-L302 HydrophobicContact CB-CB 4.34Å; L286-L302 HydrophobicContact CB-CD2 4.18Å; L286-L302 HydrophobicContact CD1-CD2 3.88Å; L286-L302 HydrophobicContact CD2-CD2 4.13Å; L286-L302 HydrophobicContact CG-CD2 4.29Å; F300-L302 HydrophobicContact CE1-CB 4.27Å; L302-F304 WeakPolarHBondContact O-CD1 3.5Å; L302-F304 VanDerWaalsContact O-CE1 3.27Å; L302-F304 WeakPolarHBondContact O-CE1 3.43Å; L302-V308 HydrophobicContact CD1-CG1 3.99Å; L302-I309 HydrophobicContact CD2-CG1 4.2Å; L302-I309 HydrophobicContact CG-CG1 4.35Å; L302-F312 HydrophobicContact CD1-CB 3.85Å; L302-F312 HydrophobicContact CD1-CD1 4.26Å; L302-F312 HydrophobicContact CD1-CD2 4.02Å; L302-F312 HydrophobicContact CD1-CG 3.78Å; L302-F312 HydrophobicContact CD2-CD1 3.75Å; L302-F312 HydrophobicContact CD2-CE1 4.09Å; L302-F312 HydrophobicContact CD2-CG 4.14Å
303E97.9Very high97.3Very high113 Ų11353.9 Ų53.953%0.52828%0.275SS..PPolyproline II helixtrans-58.1143-178.7-170.3177.3164.200112.3F301 D305 V308F301-E303 HydrophobicContact CE1-CB 4.18Å; E303-D305 HydrophobicContact CG-CB 4.41Å; E303-D305 PolarHBondContact O-N 3.35Å; E303-V308 HydrophobicContact CB-CG1 4.15Å
304F96.5Very high97.3Very high54 Ų5453.9 Ų53.924%0.23727%0.273CS..SBendtrans-8548.4-176.2-55.7-10000111.3L81 H83 T84 I280 C282 F301 L302L81-F304 HydrophobicContact CB-CB 4.5Å; H83-F304 WeakPolarHBondContact O-CE2 3.5Å; T84-F304 HydrophobicContact CG2-CE2 3.88Å; T84-F304 HydrophobicContact CG2-CZ 3.61Å; T84-F304 WeakPolarHBondContact OG1-CE2 3.48Å; I280-F304 HydrophobicContact CG2-CZ 4.46Å; C282-F304 HydrophobicContact CB-CD1 4.05Å; C282-F304 HydrophobicContact CB-CE1 4.41Å; C282-F304 HydrophobicContact CB-CG 4.3Å; F301-F304 AromaticContact CE2-CE1 3.84Å; F301-F304 HydrophobicContact CE2-CE1 3.84Å; F301-F304 AromaticContact CE2-CZ 3.93Å; F301-F304 HydrophobicContact CE2-CZ 3.93Å; F301-F304 HydrophobicContact CZ-CD1 4.42Å; F301-F304 HydrophobicContact CZ-CE1 4.17Å; F301-F304 HydrophobicContact CZ-CZ 4.45Å; L302-F304 WeakPolarHBondContact O-CD1 3.5Å; L302-F304 VanDerWaalsContact O-CE1 3.27Å; L302-F304 WeakPolarHBondContact O-CE1 3.43Å
305D97.8Very high97.3Very high60 Ų6055.1 Ų55.132%0.32128%0.28SS..  trans-113.5135.9173175.4-99.6000109.9E303 T307 V308 I309E303-D305 HydrophobicContact CG-CB 4.41Å; E303-D305 PolarHBondContact O-N 3.35Å; D305-T307 VanDerWaalsContact C-N 3.29Å; D305-T307 PolarHBondContact O-N 2.83Å; D305-T307 VanDerWaalsContact OD1-CA 3.28Å; D305-T307 WeakPolarHBondContact OD1-CA 3.33Å; D305-T307 WeakPolarHBondContact OD1-CB 3.45Å; D305-T307 PolarHBondContact OD1-N 2.94Å; D305-T307 PolarHBondContact OD1-OG1 3.32Å; D305-V308 HydrophobicContact CB-CB 4.15Å; D305-V308 HydrophobicContact CB-CG2 3.91Å; D305-V308 PolarHBondContact O-N 3.22Å; D305-V308 PolarHBondContact OD1-N 2.85Å; D305-I309 WeakPolarHBondContact O-CB 3.25Å; D305-I309 WeakPolarHBondContact O-CD1 3.39Å; D305-I309 VanDerWaalsContact O-CG1 3.26Å; D305-I309 WeakPolarHBondContact O-CG1 3.43Å; D305-I309 PolarHBondContact O-N 2.88Å
306R97Very high97.2Very high120 Ų12055.2 Ų55.245%0.45328%0.281SS..Hα-helixtrans-59.8-42-178.2-179.5-176.5176-84.7-3.6111.5E76 I309 I310E76-R306 IonicContact OE1-CZ 3.02Å; E76-R306 IonicContact OE1-NE 3.73Å; E76-R306 PolarHBondContact OE1-NE 3.16Å; E76-R306 IonicContact OE1-NH2 2.71Å; E76-R306 PolarHBondContact OE1-NH2 2.84Å; E76-R306 VanDerWaalsContact OE1-NH2 3.16Å; R306-I309 PolarHBondContact O-N 2.99Å; R306-I310 HydrophobicContact CG-CG1 4.37Å; R306-I310 WeakPolarHBondContact O-CB 3.36Å; R306-I310 VanDerWaalsContact O-CG1 3.26Å; R306-I310 WeakPolarHBondContact O-CG1 3.45Å; R306-I310 PolarHBondContact O-N 3.26Å
307T97.5Very high97.2Very high100 Ų10055.2 Ų55.261%0.61328%0.281SS*.Hα-helixtrans-66.6-45.4-177.1-47.30000110D305 I309 I310 D311D305-T307 VanDerWaalsContact C-N 3.29Å; D305-T307 PolarHBondContact O-N 2.83Å; D305-T307 VanDerWaalsContact OD1-CA 3.28Å; D305-T307 WeakPolarHBondContact OD1-CA 3.33Å; D305-T307 WeakPolarHBondContact OD1-CB 3.45Å; D305-T307 PolarHBondContact OD1-N 2.94Å; D305-T307 PolarHBondContact OD1-OG1 3.32Å; T307-I309 PolarHBondContact O-N 3.21Å; T307-I310 PolarHBondContact O-N 2.96Å; T307-D311 PolarHBondContact O-N 3.25Å
308V98Very high97Very high53 Ų5352.3 Ų52.332%0.32127%0.265SS..Hα-helixtrans-59.6-45.8175.6178.70000111.3L302 E303 D305 I310 D311 F312L302-V308 HydrophobicContact CD1-CG1 3.99Å; E303-V308 HydrophobicContact CB-CG1 4.15Å; D305-V308 HydrophobicContact CB-CB 4.15Å; D305-V308 HydrophobicContact CB-CG2 3.91Å; D305-V308 PolarHBondContact O-N 3.22Å; D305-V308 PolarHBondContact OD1-N 2.85Å; V308-I310 PolarHBondContact O-N 3.13Å; V308-D311 PolarHBondContact O-N 2.92Å; V308-F312 VanDerWaalsContact O-CB 3.31Å; V308-F312 WeakPolarHBondContact O-CB 3.45Å; V308-F312 PolarHBondContact O-N 3Å
309I98Very high96.8Very high0 Ų054.5 Ų54.50%027%0.27CS..Hα-helixtrans-62.3-44.8178.9-70.6162.6000111.5L81 C282 L286 L302 D305 R306 T307 F312 V313L81-I309 HydrophobicContact CD2-CD1 3.49Å; L81-I309 VanDerWaalsContact CD2-CD1 3.49Å; C282-I309 VanDerWaalsContact SG-CD1 3.57Å; L286-I309 HydrophobicContact CD1-CG1 4.35Å; L286-I309 HydrophobicContact CD1-CG2 3.8Å; L302-I309 HydrophobicContact CD2-CG1 4.2Å; L302-I309 HydrophobicContact CG-CG1 4.35Å; D305-I309 WeakPolarHBondContact O-CB 3.25Å; D305-I309 WeakPolarHBondContact O-CD1 3.39Å; D305-I309 VanDerWaalsContact O-CG1 3.26Å; D305-I309 WeakPolarHBondContact O-CG1 3.43Å; D305-I309 PolarHBondContact O-N 2.88Å; R306-I309 PolarHBondContact O-N 2.99Å; T307-I309 PolarHBondContact O-N 3.21Å; I309-F312 PolarHBondContact O-N 2.96Å; I309-V313 HydrophobicContact CG2-CG2 4.31Å; I309-V313 WeakPolarHBondContact O-CB 3.46Å; I309-V313 VanDerWaalsContact O-CG2 3.22Å; I309-V313 WeakPolarHBondContact O-CG2 3.35Å; I309-V313 PolarHBondContact O-N 3.28Å
310I97.1Very high96.5Very high26 Ų2656.2 Ų56.213%0.13328%0.277CS..Hα-helixtrans-65.4-44.1-179.3-69.2-66.9000110.8R306 T307 V308 V313 Q314 L367R306-I310 HydrophobicContact CG-CG1 4.37Å; R306-I310 WeakPolarHBondContact O-CB 3.36Å; R306-I310 VanDerWaalsContact O-CG1 3.26Å; R306-I310 WeakPolarHBondContact O-CG1 3.45Å; R306-I310 PolarHBondContact O-N 3.26Å; T307-I310 PolarHBondContact O-N 2.96Å; V308-I310 PolarHBondContact O-N 3.13Å; I310-V313 PolarHBondContact O-N 2.85Å; I310-Q314 HydrophobicContact CG2-CG 4.17Å; I310-Q314 WeakPolarHBondContact O-CB 3.23Å; I310-Q314 VanDerWaalsContact O-CG 3.27Å; I310-Q314 WeakPolarHBondContact O-CG 3.24Å; I310-Q314 PolarHBondContact O-N 2.94Å; I310-L367 HydrophobicContact CD1-CD2 4.35Å
311D97.5Very high96.2Very high98 Ų9853.6 Ų53.652%0.52427%0.265SS..Hα-helixtrans-61.1-46.3176.3-178.566000111.6T307 V308 V313 Q314 N315T307-D311 PolarHBondContact O-N 3.25Å; V308-D311 PolarHBondContact O-N 2.92Å; D311-V313 VanDerWaalsContact C-N 3.35Å; D311-V313 PolarHBondContact O-N 3.16Å; D311-Q314 PolarHBondContact O-N 3.39Å; D311-N315 PolarHBondContact O-N 3.38Å; D311-N315 PolarHBondContact O-ND2 2.71Å; D311-N315 PolarHBondContact OD1-ND2 3.13Å
312F97.7Very high95.7Very high36 Ų3653.9 Ų53.916%0.15828%0.275CS..Hα-helixtrans-56.4-48.1176176.2-96.1000112L286 V289 I293 F300 L302 V308 I309 L316L286-F312 HydrophobicContact CD2-CD1 4.23Å; L286-F312 HydrophobicContact CD2-CE1 4.17Å; V289-F312 HydrophobicContact CG1-CE1 4.08Å; V289-F312 HydrophobicContact CG1-CZ 3.86Å; I293-F312 HydrophobicContact CD1-CE2 3.73Å; I293-F312 HydrophobicContact CD1-CZ 3.86Å; F300-F312 HydrophobicContact CE1-CE2 4.18Å; F300-F312 HydrophobicContact CZ-CE2 4.41Å; L302-F312 HydrophobicContact CD1-CB 3.85Å; L302-F312 HydrophobicContact CD1-CD1 4.26Å; L302-F312 HydrophobicContact CD1-CD2 4.02Å; L302-F312 HydrophobicContact CD1-CG 3.78Å; L302-F312 HydrophobicContact CD2-CD1 3.75Å; L302-F312 HydrophobicContact CD2-CE1 4.09Å; L302-F312 HydrophobicContact CD2-CG 4.14Å; V308-F312 VanDerWaalsContact O-CB 3.31Å; V308-F312 WeakPolarHBondContact O-CB 3.45Å; V308-F312 PolarHBondContact O-N 3Å; I309-F312 PolarHBondContact O-N 2.96Å; F312-L316 PolarHBondContact O-N 3.34Å
313V96.8Very high95.3Very high1 Ų156.5 Ų56.51%0.00630%0.304CS..Hα-helixtrans-67.9-45.7-178.4170.20000111.1L286 I309 I310 D311 N315 L316 C340 T365 S366L286-V313 HydrophobicContact CD2-CG2 3.77Å; I309-V313 HydrophobicContact CG2-CG2 4.31Å; I309-V313 WeakPolarHBondContact O-CB 3.46Å; I309-V313 VanDerWaalsContact O-CG2 3.22Å; I309-V313 WeakPolarHBondContact O-CG2 3.35Å; I309-V313 PolarHBondContact O-N 3.28Å; I310-V313 PolarHBondContact O-N 2.85Å; D311-V313 VanDerWaalsContact C-N 3.35Å; D311-V313 PolarHBondContact O-N 3.16Å; V313-N315 PolarHBondContact O-N 2.92Å; V313-L316 VanDerWaalsContact O-CB 3.28Å; V313-L316 WeakPolarHBondContact O-CB 3.39Å; V313-L316 PolarHBondContact O-N 3.41Å; V313-C340 HydrophobicContact CG1-CB 3.74Å; V313-C340 VanDerWaalsContact O-CB 3.25Å; V313-C340 WeakPolarHBondContact O-CB 3.28Å; V313-T365 VanDerWaalsContact CG1-O 3.3Å; V313-T365 WeakPolarHBondContact CG1-O 3.49Å; V313-S366 WeakPolarHBondContact CG1-O 3.26Å
314Q95.3Very high95.1Very high67 Ų6751.1 Ų51.131%0.31328%0.279SS..Hα-helixtrans-57.1-36.8-176-80.3-172.97.400112.8I310 D311 L316 K341I310-Q314 HydrophobicContact CG2-CG 4.17Å; I310-Q314 WeakPolarHBondContact O-CB 3.23Å; I310-Q314 VanDerWaalsContact O-CG 3.27Å; I310-Q314 WeakPolarHBondContact O-CG 3.24Å; I310-Q314 PolarHBondContact O-N 2.94Å; D311-Q314 PolarHBondContact O-N 3.39Å; Q314-L316 VanDerWaalsContact C-N 3.33Å; Q314-K341 HydrophobicContact CB-CB 4.02Å; Q314-K341 HydrophobicContact CG-CB 4.22Å; Q314-K341 VanDerWaalsContact O-CB 3.29Å; Q314-K341 WeakPolarHBondContact O-CB 3.13Å; Q314-K341 PolarHBondContact O-N 3.46Å
315N95.2Very high94.9Very high107 Ų10749.7 Ų49.757%0.57228%0.279SS*.THydrogen-bonded Turntrans-82.2-9.4179.7-66.1-50.9000113.7D311 V313D311-N315 PolarHBondContact O-N 3.38Å; D311-N315 PolarHBondContact O-ND2 2.71Å; D311-N315 PolarHBondContact OD1-ND2 3.13Å; V313-N315 PolarHBondContact O-N 2.92Å
316L95.1Very high94.5Very high19 Ų1950.7 Ų50.710%0.09929%0.288CS..SBendtrans-74.6130-175-16571.6000111.6V289 F312 V313 Q314 I318 K320 I321 T339 C340V289-L316 HydrophobicContact CG1-CD1 3.83Å; V289-L316 HydrophobicContact CG1-CD2 3.79Å; V289-L316 HydrophobicContact CG1-CG 4.49Å; V289-L316 HydrophobicContact CG2-CD2 4.14Å; F312-L316 PolarHBondContact O-N 3.34Å; V313-L316 VanDerWaalsContact O-CB 3.28Å; V313-L316 WeakPolarHBondContact O-CB 3.39Å; V313-L316 PolarHBondContact O-N 3.41Å; Q314-L316 VanDerWaalsContact C-N 3.33Å; L316-I318 PolarHBondContact O-N 2.87Å; L316-K320 HydrophobicContact CD1-CB 3.93Å; L316-K320 HydrophobicContact CD1-CG 4.25Å; L316-K320 HydrophobicContact CD2-CB 4.15Å; L316-K320 HydrophobicContact CG-CB 3.96Å; L316-I321 HydrophobicContact CD2-CD1 3.41Å; L316-I321 VanDerWaalsContact CD2-CD1 3.41Å; L316-I321 HydrophobicContact CD2-CG1 4.11Å; L316-T339 CarbonylContact O-C 3.51Å; L316-T339 VanDerWaalsContact O-CA 3.29Å; L316-T339 WeakPolarHBondContact O-CA 3.41Å; L316-C340 PolarHBondContact O-N 3.16Å
317P94.8Very high94.3Very high64 Ų6446.9 Ų46.942%0.41628%0.279SS..BIsolated β-bridgetrans-61.8134.6169.9-21.833.1000110.7R319 K320 T338P317-R319 PolarHBondContact O-N 3.02Å; P317-K320 HydrophobicContact CB-CG 4.48Å; P317-K320 WeakPolarHBondContact O-CB 3.48Å; P317-K320 PolarHBondContact O-N 3.14Å; P317-T338 WeakPolarHBondContact CA-O 3.41Å
318I94.3Very high94.2Very high3 Ų344.1 Ų44.12%0.01526%0.262CS..G310 helixtrans-53.2-29.2-179.454.6171.7000112.9L316 K320 I321 I324 E329 F332 I337 T338 T339 L343L316-I318 PolarHBondContact O-N 2.87Å; I318-K320 PolarHBondContact O-N 3.35Å; I318-I321 PolarHBondContact O-N 2.9Å; I318-I324 HydrophobicContact CB-CD1 4.06Å; I318-I324 HydrophobicContact CB-CG2 4.32Å; I318-I324 WeakPolarHBondContact O-CB 3.38Å; I318-I324 WeakPolarHBondContact O-CD1 3.44Å; I318-E329 HydrophobicContact CD1-CG 4.17Å; I318-F332 HydrophobicContact CD1-CB 3.53Å; I318-F332 HydrophobicContact CD1-CD2 3.65Å; I318-F332 HydrophobicContact CD1-CG 4.09Å; I318-I337 WeakPolarHBondContact CD1-O 3.43Å; I318-I337 HydrophobicContact CG2-CG2 4.14Å; I318-T338 WeakPolarHBondContact CG1-O 3.47Å; I318-T338 PolarHBondContact N-O 2.95Å; I318-T339 WeakPolarHBondContact CG2-O 3.05Å; I318-L343 HydrophobicContact CG2-CD1 3.85Å; I318-L343 HydrophobicContact CG2-CD2 4.46Å; I318-L343 HydrophobicContact CG2-CG 3.93Å
319R92.2Very high94.1Very high58 Ų5842.6 Ų42.622%0.21925%0.251CS..G310 helixtrans-71-16.9-176.9-171.650.9-177.8113.313.6113.7N4 P317 I324 E329N4-R319 PolarHBondContact ND2-NH2 3.23Å; P317-R319 PolarHBondContact O-N 3.02Å; R319-I324 WeakPolarHBondContact CD-O 3.48Å; R319-I324 PolarHBondContact NH1-O 2.8Å; R319-E329 HydrophobicContact CB-CG 4.41Å; R319-E329 WeakPolarHBondContact CB-OE1 3.37Å; R319-E329 WeakPolarHBondContact CD-OE2 3.13Å; R319-E329 WeakPolarHBondContact CG-OE2 3.35Å; R319-E329 IonicContact NE-OE2 2.7Å; R319-E329 PolarHBondContact NE-OE2 3.14Å
320K92.5Very high93.9Very high68 Ų6844.1 Ų44.130%0.29626%0.263SS..G310 helixtrans-80.1-18.6174.7-70.3-65.4-165.5167.50112.9C6 L316 P317 I318C6-K320 PolarHBondContact O-NZ 2.78Å; L316-K320 HydrophobicContact CD1-CB 3.93Å; L316-K320 HydrophobicContact CD1-CG 4.25Å; L316-K320 HydrophobicContact CD2-CB 4.15Å; L316-K320 HydrophobicContact CG-CB 3.96Å; P317-K320 HydrophobicContact CB-CG 4.48Å; P317-K320 WeakPolarHBondContact O-CB 3.48Å; P317-K320 PolarHBondContact O-N 3.14Å; I318-K320 PolarHBondContact O-N 3.35Å
321I92.1Very high93.9Very high3 Ų343 Ų432%0.01526%0.258CS..SBendtrans-74.4128.7177-60.4-63.8000110.6M285 V289 L316 I318 G323 I324 Y361 T365M285-I321 HydrophobicContact SD-CD1 3.94Å; V289-I321 HydrophobicContact CG2-CD1 4.37Å; L316-I321 HydrophobicContact CD2-CD1 3.41Å; L316-I321 VanDerWaalsContact CD2-CD1 3.41Å; L316-I321 HydrophobicContact CD2-CG1 4.11Å; I318-I321 PolarHBondContact O-N 2.9Å; I321-G323 PolarHBondContact O-N 2.95Å; I321-I324 HydrophobicContact CB-CD1 3.98Å; I321-I324 HydrophobicContact CB-CG1 4.24Å; I321-I324 HydrophobicContact CG1-CD1 4.49Å; I321-I324 HydrophobicContact CG2-CD1 4.17Å; I321-I324 HydrophobicContact CG2-CG1 4.23Å; I321-I324 PolarHBondContact O-N 3.47Å; I321-I324 VanDerWaalsContact O-N 3.14Å; I321-Y361 VanDerWaalsContact CG2-OH 3.26Å; I321-Y361 WeakPolarHBondContact CG2-OH 3.21Å; I321-T365 HydrophobicContact CB-CG2 4.13Å; I321-T365 HydrophobicContact CD1-CG2 3.66Å; I321-T365 HydrophobicContact CG1-CG2 3.56Å; I321-T365 HydrophobicContact CG2-CG2 3.57Å
322C89.2Confident93.9Very high75 Ų7538.3 Ų38.351%0.50723%0.233SC..THydrogen-bonded Turntrans-62.7122.1172.3-172.50000110.9K288 Y361K288-C322 HydrophobicContact CD-CB 3.88Å; C322-Y361 PolarHBondContact O-OH 2.93Å
323G89.8Confident93.8Very high61 Ų6141.6 Ų41.663%0.62924%0.244SC*.THydrogen-bonded Turntrans109.9-22.7-174.500000113.5I321 G325I321-G323 PolarHBondContact O-N 2.95Å; G323-G325 PolarHBondContact O-N 3.09Å
324I93.1Very high93.7Very high1 Ų142.4 Ų42.41%0.00525%0.253CS..  trans-91.490.3174.1-57.2-177.8000109.6I318 R319 I321 T328 E329 F332 L343 Y361I318-I324 HydrophobicContact CB-CD1 4.06Å; I318-I324 HydrophobicContact CB-CG2 4.32Å; I318-I324 WeakPolarHBondContact O-CB 3.38Å; I318-I324 WeakPolarHBondContact O-CD1 3.44Å; R319-I324 WeakPolarHBondContact CD-O 3.48Å; R319-I324 PolarHBondContact NH1-O 2.8Å; I321-I324 HydrophobicContact CB-CD1 3.98Å; I321-I324 HydrophobicContact CB-CG1 4.24Å; I321-I324 HydrophobicContact CG1-CD1 4.49Å; I321-I324 HydrophobicContact CG2-CD1 4.17Å; I321-I324 HydrophobicContact CG2-CG1 4.23Å; I321-I324 PolarHBondContact O-N 3.47Å; I321-I324 VanDerWaalsContact O-N 3.14Å; I324-T328 HydrophobicContact CG2-CG2 4.22Å; I324-E329 HydrophobicContact CG2-CB 4.43Å; I324-F332 HydrophobicContact CD1-CE2 3.97Å; I324-F332 HydrophobicContact CG1-CE2 4.49Å; I324-F332 HydrophobicContact CG2-CD2 4.32Å; I324-F332 HydrophobicContact CG2-CE2 4.42Å; I324-L343 HydrophobicContact CD1-CD1 4.19Å; I324-Y361 HydrophobicContact CG1-CE1 4.32Å
325G92.2Very high93.7Very high23 Ų2339.5 Ų39.524%0.23724%0.24CC..  trans-80.4177.1175.400000114.1G323 V327 T328 E329G323-G325 PolarHBondContact O-N 3.09Å; G325-V327 PolarHBondContact O-N 3.22Å; G325-V327 VanDerWaalsContact O-N 3.1Å; G325-T328 PolarHBondContact O-N 3.29Å; G325-E329 WeakPolarHBondContact O-CB 3.42Å; G325-E329 PolarHBondContact O-N 3.23Å
326P90.3Very high93.8Very high81 Ų8140 Ų4053%0.52624%0.242SC..Hα-helixtrans-58.3-28.4-178.1-25.234.1000114.8A330P326-A330 VanDerWaalsContact O-CB 3.29Å; P326-A330 WeakPolarHBondContact O-CB 3.37Å; P326-A330 PolarHBondContact O-N 3.45Å
327V92.4Very high93.9Very high41 Ų4139.1 Ų39.125%0.24824%0.238CC..Hα-helixtrans-72.1-52.1177.6177.70000110.4I42 G325 E329 A330 V331I42-V327 HydrophobicContact CD1-CB 4.45Å; I42-V327 HydrophobicContact CD1-CG1 4.05Å; I42-V327 HydrophobicContact CD1-CG2 4.17Å; I42-V327 HydrophobicContact CG1-CG1 4.19Å; G325-V327 PolarHBondContact O-N 3.22Å; G325-V327 VanDerWaalsContact O-N 3.1Å; V327-E329 VanDerWaalsContact C-N 3.29Å; V327-E329 PolarHBondContact O-N 3.47Å; V327-A330 PolarHBondContact O-N 3.37Å; V327-V331 WeakPolarHBondContact O-CG2 3.46Å; V327-V331 PolarHBondContact O-N 3.23Å
328T95.1Very high93.9Very high41 Ų4139.5 Ų39.525%0.25224%0.239SC..Hα-helixtrans-62.1-41.5178.7-48.90000110.3I324 G325 A330 V331 F332 F362I324-T328 HydrophobicContact CG2-CG2 4.22Å; G325-T328 PolarHBondContact O-N 3.29Å; T328-A330 PolarHBondContact O-N 3.02Å; T328-V331 PolarHBondContact O-N 3.16Å; T328-F332 HydrophobicContact CG2-CD2 3.94Å; T328-F332 HydrophobicContact CG2-CE1 4.44Å; T328-F332 HydrophobicContact CG2-CE2 3.61Å; T328-F332 HydrophobicContact CG2-CZ 3.91Å; T328-F332 WeakPolarHBondContact O-CB 3.43Å; T328-F332 WeakPolarHBondContact O-CG 3.46Å; T328-F332 PolarHBondContact O-N 3.19Å; T328-F362 HydrophobicContact CG2-CZ 4.43Å
329E95.2Very high94.1Very high21 Ų2140.8 Ų40.810%0.09825%0.247CC..Hα-helixtrans-57.6-47.3172.8-177.3-173.4-164.800112.2I318 R319 I324 G325 V327 V331 F332 R333I318-E329 HydrophobicContact CD1-CG 4.17Å; R319-E329 HydrophobicContact CB-CG 4.41Å; R319-E329 WeakPolarHBondContact CB-OE1 3.37Å; R319-E329 WeakPolarHBondContact CD-OE2 3.13Å; R319-E329 WeakPolarHBondContact CG-OE2 3.35Å; R319-E329 IonicContact NE-OE2 2.7Å; R319-E329 PolarHBondContact NE-OE2 3.14Å; I324-E329 HydrophobicContact CG2-CB 4.43Å; G325-E329 WeakPolarHBondContact O-CB 3.42Å; G325-E329 PolarHBondContact O-N 3.23Å; V327-E329 VanDerWaalsContact C-N 3.29Å; V327-E329 PolarHBondContact O-N 3.47Å; E329-V331 VanDerWaalsContact C-N 3.34Å; E329-V331 PolarHBondContact O-N 3.21Å; E329-F332 PolarHBondContact O-N 2.91Å; E329-R333 VanDerWaalsContact CD-NH2 3.33Å; E329-R333 WeakPolarHBondContact O-CG 3.45Å; E329-R333 PolarHBondContact O-N 2.87Å; E329-R333 IonicContact OE1-CZ 3.19Å; E329-R333 IonicContact OE1-NE 3.04Å; E329-R333 IonicContact OE1-NH2 2.69Å; E329-R333 PolarHBondContact OE1-NH2 3.32Å; E329-R333 IonicContact OE2-NH2 2.87Å
330A94.1Very high94.3Very high32 Ų3238 Ų3826%0.26424%0.237SC..Hα-helixtrans-63.8-39.3178.100000112.4I42 P326 V327 T328 G334I42-A330 HydrophobicContact CG2-CB 4.02Å; P326-A330 VanDerWaalsContact O-CB 3.29Å; P326-A330 WeakPolarHBondContact O-CB 3.37Å; P326-A330 PolarHBondContact O-N 3.45Å; V327-A330 PolarHBondContact O-N 3.37Å; T328-A330 PolarHBondContact O-N 3.02Å; A330-G334 PolarHBondContact O-N 3.17Å; A330-G334 VanDerWaalsContact O-N 3.1Å
331V96.5Very high94.6Very high2 Ų239.1 Ų39.11%0.01224%0.241CC..Hα-helixtrans-62.7-45.9173.6173.20000110.5I42 V46 M49 V327 T328 E329 G334 L335 F354I42-V331 HydrophobicContact CG2-CG2 4.03Å; V46-V331 HydrophobicContact CG2-CB 4.4Å; V46-V331 HydrophobicContact CG2-CG1 4.43Å; V46-V331 HydrophobicContact CG2-CG2 4.34Å; M49-V331 HydrophobicContact CE-CG1 4.13Å; M49-V331 HydrophobicContact SD-CG1 3.81Å; V327-V331 WeakPolarHBondContact O-CG2 3.46Å; V327-V331 PolarHBondContact O-N 3.23Å; T328-V331 PolarHBondContact O-N 3.16Å; E329-V331 VanDerWaalsContact C-N 3.34Å; E329-V331 PolarHBondContact O-N 3.21Å; V331-G334 PolarHBondContact O-N 3.39Å; V331-G334 VanDerWaalsContact O-N 3.16Å; V331-L335 HydrophobicContact CG1-CD1 4.36Å; V331-L335 WeakPolarHBondContact O-CG 3.49Å; V331-L335 PolarHBondContact O-N 3.1Å; V331-F354 HydrophobicContact CG1-CZ 4Å
332F97.3Very high94.9Very high0 Ų041.6 Ų41.60%025%0.253CS..Hα-helixtrans-62.8-42.1177.8-77.6-18.2000113I318 I324 T328 E329 G334 L335 D336 I337 L343 L350 F354 F362I318-F332 HydrophobicContact CD1-CB 3.53Å; I318-F332 HydrophobicContact CD1-CD2 3.65Å; I318-F332 HydrophobicContact CD1-CG 4.09Å; I324-F332 HydrophobicContact CD1-CE2 3.97Å; I324-F332 HydrophobicContact CG1-CE2 4.49Å; I324-F332 HydrophobicContact CG2-CD2 4.32Å; I324-F332 HydrophobicContact CG2-CE2 4.42Å; T328-F332 HydrophobicContact CG2-CD2 3.94Å; T328-F332 HydrophobicContact CG2-CE1 4.44Å; T328-F332 HydrophobicContact CG2-CE2 3.61Å; T328-F332 HydrophobicContact CG2-CZ 3.91Å; T328-F332 WeakPolarHBondContact O-CB 3.43Å; T328-F332 WeakPolarHBondContact O-CG 3.46Å; T328-F332 PolarHBondContact O-N 3.19Å; E329-F332 PolarHBondContact O-N 2.91Å; F332-G334 VanDerWaalsContact C-N 3.27Å; F332-G334 PolarHBondContact O-N 3.05Å; F332-L335 CarbonylContact O-C 3.45Å; F332-L335 VanDerWaalsContact O-C 3.32Å; F332-L335 WeakPolarHBondContact O-CA 3.47Å; F332-L335 PolarHBondContact O-N 3.08Å; F332-D336 PolarHBondContact O-N 3.39Å; F332-D336 VanDerWaalsContact O-N 3.17Å; F332-I337 CarbonylContact C-O 3.51Å; F332-I337 VanDerWaalsContact C-O 3.29Å; F332-I337 HydrophobicContact CB-CB 3.9Å; F332-I337 HydrophobicContact CB-CG2 4.16Å; F332-I337 HydrophobicContact CD1-CD1 4.07Å; F332-I337 HydrophobicContact CD2-CG2 4.47Å; F332-I337 HydrophobicContact CE1-CD1 4.49Å; F332-I337 HydrophobicContact CG-CB 4.32Å; F332-I337 HydrophobicContact CG-CG2 4.21Å; F332-I337 PolarHBondContact O-N 3.31Å; F332-L343 HydrophobicContact CD2-CD2 4.21Å; F332-L343 HydrophobicContact CE1-CD2 4.26Å; F332-L343 HydrophobicContact CE2-CD2 3.67Å; F332-L343 HydrophobicContact CZ-CD2 3.68Å; F332-L350 HydrophobicContact CD1-CD2 4.4Å; F332-L350 HydrophobicContact CE1-CD2 3.72Å; F332-F354 HydrophobicContact CD1-CZ 4.15Å; F332-F354 HydrophobicContact CE1-CE1 4.36Å; F332-F354 AromaticContact CE1-CE2 3.98Å; F332-F354 HydrophobicContact CE1-CE2 3.98Å; F332-F354 AromaticContact CE1-CZ 3.62Å; F332-F354 HydrophobicContact CE1-CZ 3.62Å; F332-F362 HydrophobicContact CE1-CD2 4.42Å; F332-F362 HydrophobicContact CE1-CE2 4.02Å; F332-F362 HydrophobicContact CE1-CZ 4.15Å; F332-F362 HydrophobicContact CE2-CD1 4.32Å; F332-F362 HydrophobicContact CE2-CE1 4.06Å; F332-F362 HydrophobicContact CE2-CZ 4.32Å; F332-F362 AromaticContact CZ-CD1 3.83Å; F332-F362 HydrophobicContact CZ-CD1 3.83Å; F332-F362 AromaticContact CZ-CD2 3.91Å; F332-F362 HydrophobicContact CZ-CD2 3.91Å; F332-F362 AromaticContact CZ-CE1 3.54Å; F332-F362 HydrophobicContact CZ-CE1 3.54Å; F332-F362 AromaticContact CZ-CE2 3.62Å; F332-F362 HydrophobicContact CZ-CE2 3.62Å; F332-F362 HydrophobicContact CZ-CG 4.04Å; F332-F362 AromaticContact CZ-CZ 3.44Å; F332-F362 HydrophobicContact CZ-CZ 3.44Å; F332-F362 VanDerWaalsContact CZ-CZ 3.44Å
333R95.8Very high95.2Very high105 Ų10538 Ų3840%0.39623%0.229SC..Hα-helixtrans-59.3-39.5172.3-71.5-175-161.8177.35112.1E329 L335 D336 I337E329-R333 VanDerWaalsContact CD-NH2 3.33Å; E329-R333 WeakPolarHBondContact O-CG 3.45Å; E329-R333 PolarHBondContact O-N 2.87Å; E329-R333 IonicContact OE1-CZ 3.19Å; E329-R333 IonicContact OE1-NE 3.04Å; E329-R333 IonicContact OE1-NH2 2.69Å; E329-R333 PolarHBondContact OE1-NH2 3.32Å; E329-R333 IonicContact OE2-NH2 2.87Å; R333-L335 PolarHBondContact O-N 3.5Å; R333-D336 PolarHBondContact O-N 2.87Å; R333-I337 PolarHBondContact N-O 3.43Å
334G95.2Very high95.6Very high19 Ų1938 Ų3820%0.19621%0.211CC..THydrogen-bonded Turntrans-65.3-13.6173.500000114.6Q50 A330 V331 F332Q50-G334 PolarHBondContact NE2-O 2.7Å; A330-G334 PolarHBondContact O-N 3.17Å; A330-G334 VanDerWaalsContact O-N 3.1Å; V331-G334 PolarHBondContact O-N 3.39Å; V331-G334 VanDerWaalsContact O-N 3.16Å; F332-G334 VanDerWaalsContact C-N 3.27Å; F332-G334 PolarHBondContact O-N 3.05Å
335L96.1Very high95.8Very high6 Ų642.7 Ų42.73%0.03123%0.233CC..THydrogen-bonded Turntrans-109.616.2173.8-59.3175.2000111.7M49 Q50 L53 V331 F332 R333 I337 K346 L353 F354M49-L335 HydrophobicContact CB-CD2 4.25Å; M49-L335 HydrophobicContact CE-CD1 3.9Å; Q50-L335 HydrophobicContact CG-CD2 4.12Å; L53-L335 HydrophobicContact CD1-CD2 4.14Å; V331-L335 HydrophobicContact CG1-CD1 4.36Å; V331-L335 WeakPolarHBondContact O-CG 3.49Å; V331-L335 PolarHBondContact O-N 3.1Å; F332-L335 CarbonylContact O-C 3.45Å; F332-L335 VanDerWaalsContact O-C 3.32Å; F332-L335 WeakPolarHBondContact O-CA 3.47Å; F332-L335 PolarHBondContact O-N 3.08Å; R333-L335 PolarHBondContact O-N 3.5Å; L335-I337 VanDerWaalsContact C-N 3.33Å; L335-I337 HydrophobicContact CB-CD1 4.26Å; L335-I337 HydrophobicContact CB-CG1 4.46Å; L335-I337 PolarHBondContact O-N 2.9Å; L335-K346 PolarHBondContact O-NZ 3.41Å; L335-L353 HydrophobicContact CD1-CD1 3.99Å; L335-L353 HydrophobicContact CD2-CD1 4.33Å; L335-F354 HydrophobicContact CD1-CE2 4.16Å; L335-F354 HydrophobicContact CD1-CZ 4.5Å
336D96.4Very high96.1Very high116 Ų11643.7 Ų43.762%0.6223%0.231SC*.THydrogen-bonded Turntrans56.440.9-176.6-47.8-54.8000113.8F332 R333F332-D336 PolarHBondContact O-N 3.39Å; F332-D336 VanDerWaalsContact O-N 3.17Å; R333-D336 PolarHBondContact O-N 2.87Å
337I97.2Very high96.4Very high1 Ų141 Ų411%0.00521%0.211CC..  trans-115.5116.4175.3-58.6169.3000108.7I318 F332 R333 L335 H342 L343 K346 L350I318-I337 WeakPolarHBondContact CD1-O 3.43Å; I318-I337 HydrophobicContact CG2-CG2 4.14Å; F332-I337 CarbonylContact C-O 3.51Å; F332-I337 VanDerWaalsContact C-O 3.29Å; F332-I337 HydrophobicContact CB-CB 3.9Å; F332-I337 HydrophobicContact CB-CG2 4.16Å; F332-I337 HydrophobicContact CD1-CD1 4.07Å; F332-I337 HydrophobicContact CD2-CG2 4.47Å; F332-I337 HydrophobicContact CE1-CD1 4.49Å; F332-I337 HydrophobicContact CG-CB 4.32Å; F332-I337 HydrophobicContact CG-CG2 4.21Å; F332-I337 PolarHBondContact O-N 3.31Å; R333-I337 PolarHBondContact N-O 3.43Å; L335-I337 VanDerWaalsContact C-N 3.33Å; L335-I337 HydrophobicContact CB-CD1 4.26Å; L335-I337 HydrophobicContact CB-CG1 4.46Å; L335-I337 PolarHBondContact O-N 2.9Å; I337-H342 HydrophobicContact CB-CB 4.19Å; I337-H342 HydrophobicContact CG1-CB 4.28Å; I337-H342 HydrophobicContact CG2-CB 3.86Å; I337-L343 HydrophobicContact CG2-CD2 3.64Å; I337-L343 HydrophobicContact CG2-CG 3.97Å; I337-K346 HydrophobicContact CD1-CB 4.21Å; I337-K346 HydrophobicContact CD1-CD 4.09Å; I337-K346 HydrophobicContact CG1-CD 3.76Å; I337-K346 HydrophobicContact CG1-CG 4.45Å; I337-L350 HydrophobicContact CD1-CD1 4.31Å; I337-L350 HydrophobicContact CD1-CD2 3.79Å; I337-L350 HydrophobicContact CD1-CG 4.28Å
338T96.1Very high96.7Very high72 Ų7239.4 Ų39.444%0.44220%0.202SC..  trans-126.5-19.9-179.555.40000114.2P317 I318 H342P317-T338 WeakPolarHBondContact CA-O 3.41Å; I318-T338 WeakPolarHBondContact CG1-O 3.47Å; I318-T338 PolarHBondContact N-O 2.95Å; T338-H342 PolarHBondContact N-ND1 2.82Å; T338-H342 PolarHBondContact OG1-CE1 2.83Å; T338-H342 VanDerWaalsContact OG1-CE1 3.3Å; T338-H342 PolarHBondContact OG1-ND1 2.9Å; T338-H342 VanDerWaalsContact OG1-ND1 3.12Å
339T97.4Very high96.8Very high31 Ų3139.9 Ų39.919%0.1920%0.201CC..BIsolated β-bridgetrans-130.4164.4-177.862.30000110.2L316 I318 K341 H342 L343L316-T339 CarbonylContact O-C 3.51Å; L316-T339 VanDerWaalsContact O-CA 3.29Å; L316-T339 WeakPolarHBondContact O-CA 3.41Å; I318-T339 WeakPolarHBondContact CG2-O 3.05Å; T339-K341 PolarHBondContact O-N 2.65Å; T339-H342 WeakPolarHBondContact O-CB 3.29Å; T339-H342 PolarHBondContact O-N 3.09Å; T339-H342 PolarHBondContact OG1-N 2.91Å; T339-H342 PolarHBondContact OG1-ND1 3.27Å; T339-L343 PolarHBondContact O-N 2.86Å
340C97Very high96.9Very high0 Ų039 Ų390%020%0.197CC..Hα-helixtrans-68.8-22.8175.3-59.50000112.7V313 L316 H342 L343 F344V313-C340 HydrophobicContact CG1-CB 3.74Å; V313-C340 VanDerWaalsContact O-CB 3.25Å; V313-C340 WeakPolarHBondContact O-CB 3.28Å; L316-C340 PolarHBondContact O-N 3.16Å; C340-H342 VanDerWaalsContact C-N 3.35Å; C340-L343 HydrophobicContact CB-CD1 4.46Å; C340-L343 WeakPolarHBondContact O-CB 3.4Å; C340-L343 PolarHBondContact O-N 2.88Å; C340-L343 VanDerWaalsContact O-N 3.15Å; C340-F344 PolarHBondContact O-N 2.79Å; C340-F344 VanDerWaalsContact O-N 3.12Å
341K97.8Very high97.1Very high91 Ų9139.1 Ų39.140%0.39619%0.192SC..Hα-helixtrans-56.6-49167.4178.7173.1174.9174.60111.4Q314 T339 L343 F344 E345Q314-K341 HydrophobicContact CB-CB 4.02Å; Q314-K341 HydrophobicContact CG-CB 4.22Å; Q314-K341 VanDerWaalsContact O-CB 3.29Å; Q314-K341 WeakPolarHBondContact O-CB 3.13Å; Q314-K341 PolarHBondContact O-N 3.46Å; T339-K341 PolarHBondContact O-N 2.65Å; K341-L343 VanDerWaalsContact C-N 3.25Å; K341-L343 PolarHBondContact O-N 2.69Å; K341-F344 PolarHBondContact O-N 3.42Å; K341-F344 VanDerWaalsContact O-N 3.08Å; K341-E345 WeakPolarHBondContact CE-OE1 3.2Å; K341-E345 HydrophobicContact CG-CG 4.4Å; K341-E345 IonicContact NZ-OE1 3.76Å; K341-E345 WeakPolarHBondContact O-CG 3.42Å; K341-E345 PolarHBondContact O-N 3.36Å
342H98Very high97.1Very high54 Ų5442.2 Ų42.225%0.2521%0.208CC..Hα-helixtrans-61.7-32.9175.8-61.8141.7000112.5I337 T338 T339 C340 F344 E345 K346I337-H342 HydrophobicContact CB-CB 4.19Å; I337-H342 HydrophobicContact CG1-CB 4.28Å; I337-H342 HydrophobicContact CG2-CB 3.86Å; T338-H342 PolarHBondContact N-ND1 2.82Å; T338-H342 PolarHBondContact OG1-CE1 2.83Å; T338-H342 VanDerWaalsContact OG1-CE1 3.3Å; T338-H342 PolarHBondContact OG1-ND1 2.9Å; T338-H342 VanDerWaalsContact OG1-ND1 3.12Å; T339-H342 WeakPolarHBondContact O-CB 3.29Å; T339-H342 PolarHBondContact O-N 3.09Å; T339-H342 PolarHBondContact OG1-N 2.91Å; T339-H342 PolarHBondContact OG1-ND1 3.27Å; C340-H342 VanDerWaalsContact C-N 3.35Å; H342-F344 VanDerWaalsContact C-N 3.34Å; H342-E345 IonicContact CD2-OE2 2.96Å; H342-E345 PolarHBondContact CD2-OE2 2.92Å; H342-K346 WeakPolarHBondContact O-CB 3.39Å; H342-K346 PolarHBondContact O-N 3.17Å
343L97Very high97Very high1 Ų143.2 Ų43.21%0.00521%0.213CC..Hα-helixtrans-61.9-42.2173.9-70.5176.6000111.8I318 I324 F332 I337 T339 C340 K341 R347 L350 F362 T365I318-L343 HydrophobicContact CG2-CD1 3.85Å; I318-L343 HydrophobicContact CG2-CD2 4.46Å; I318-L343 HydrophobicContact CG2-CG 3.93Å; I324-L343 HydrophobicContact CD1-CD1 4.19Å; F332-L343 HydrophobicContact CD2-CD2 4.21Å; F332-L343 HydrophobicContact CE1-CD2 4.26Å; F332-L343 HydrophobicContact CE2-CD2 3.67Å; F332-L343 HydrophobicContact CZ-CD2 3.68Å; I337-L343 HydrophobicContact CG2-CD2 3.64Å; I337-L343 HydrophobicContact CG2-CG 3.97Å; T339-L343 PolarHBondContact O-N 2.86Å; C340-L343 HydrophobicContact CB-CD1 4.46Å; C340-L343 WeakPolarHBondContact O-CB 3.4Å; C340-L343 PolarHBondContact O-N 2.88Å; C340-L343 VanDerWaalsContact O-N 3.15Å; K341-L343 VanDerWaalsContact C-N 3.25Å; K341-L343 PolarHBondContact O-N 2.69Å; L343-R347 PolarHBondContact O-N 3.01Å; L343-L350 HydrophobicContact CD2-CD1 3.77Å; L343-F362 HydrophobicContact CD2-CB 4.42Å; L343-T365 HydrophobicContact CD1-CG2 4.33Å
344F97.4Very high97.1Very high59 Ų5939.3 Ų39.326%0.25920%0.199SC..Hα-helixtrans-69.7-47.9177.1-171.6-98.8000111.5A72 C340 K341 H342 K346 R347 L363 L367A72-F344 HydrophobicContact CB-CE2 4.23Å; C340-F344 PolarHBondContact O-N 2.79Å; C340-F344 VanDerWaalsContact O-N 3.12Å; K341-F344 PolarHBondContact O-N 3.42Å; K341-F344 VanDerWaalsContact O-N 3.08Å; H342-F344 VanDerWaalsContact C-N 3.34Å; F344-K346 VanDerWaalsContact C-N 3.28Å; F344-K346 PolarHBondContact O-N 3.1Å; F344-R347 VanDerWaalsContact O-CB 3.24Å; F344-R347 WeakPolarHBondContact O-CB 3.34Å; F344-R347 VanDerWaalsContact O-CD 3.23Å; F344-R347 WeakPolarHBondContact O-CD 3.31Å; F344-R347 WeakPolarHBondContact O-CG 3.42Å; F344-R347 PolarHBondContact O-N 3.02Å; F344-R347 VanDerWaalsContact O-N 3.13Å; F344-R347 PolarHBondContact O-NH1 2.9Å; F344-L363 HydrophobicContact CD2-CD1 4.02Å; F344-L363 HydrophobicContact CE2-CD1 4.04Å; F344-L367 HydrophobicContact CD2-CD2 3.98Å; F344-L367 HydrophobicContact CD2-CG 4.4Å; F344-L367 HydrophobicContact CE2-CD2 3.72Å; F344-L367 HydrophobicContact CE2-CG 4.37Å
345E97.7Very high97.1Very high101 Ų10141.8 Ų41.847%0.47221%0.213SC..Hα-helixtrans-59.2-39.8-179.9-71.3173.216600111.8K341 H342K341-E345 WeakPolarHBondContact CE-OE1 3.2Å; K341-E345 HydrophobicContact CG-CG 4.4Å; K341-E345 IonicContact NZ-OE1 3.76Å; K341-E345 WeakPolarHBondContact O-CG 3.42Å; K341-E345 PolarHBondContact O-N 3.36Å; H342-E345 IonicContact CD2-OE2 2.96Å; H342-E345 PolarHBondContact CD2-OE2 2.92Å
346K97.4Very high97Very high44 Ų4447.6 Ų47.619%0.19124%0.24CC..THydrogen-bonded Turntrans-93.415.9179.4-58.3-161.6-179.7-160.20113.9L335 I337 H342 F344 A348 Q349 L350L335-K346 PolarHBondContact O-NZ 3.41Å; I337-K346 HydrophobicContact CD1-CB 4.21Å; I337-K346 HydrophobicContact CD1-CD 4.09Å; I337-K346 HydrophobicContact CG1-CD 3.76Å; I337-K346 HydrophobicContact CG1-CG 4.45Å; H342-K346 WeakPolarHBondContact O-CB 3.39Å; H342-K346 PolarHBondContact O-N 3.17Å; F344-K346 VanDerWaalsContact C-N 3.28Å; F344-K346 PolarHBondContact O-N 3.1Å; K346-A348 VanDerWaalsContact C-N 3.25Å; K346-A348 PolarHBondContact O-N 3.04Å; K346-A348 VanDerWaalsContact O-N 3.15Å; K346-Q349 HydrophobicContact CB-CB 4.45Å; K346-Q349 WeakPolarHBondContact O-CB 3.33Å; K346-Q349 PolarHBondContact O-N 2.91Å; K346-L350 WeakPolarHBondContact O-CG 3.44Å; K346-L350 PolarHBondContact O-N 3.2Å
347R97.9Very high96.8Very high25 Ų2551.6 Ų51.69%0.09425%0.246CC..Hα-helixtrans-52.6-38.2-177.766.5-165.7173.6-65.3-8.6113.9E65 M68 D69 L343 F344 L350 H351 L363E65-R347 IonicContact OE1-NH2 2.82Å; E65-R347 PolarHBondContact OE1-NH2 3.3Å; M68-R347 HydrophobicContact CB-CB 4.32Å; M68-R347 HydrophobicContact CB-CG 3.83Å; M68-R347 HydrophobicContact CG-CG 4.45Å; D69-R347 IonicContact OD1-CZ 3.72Å; D69-R347 IonicContact OD1-NE 3.44Å; D69-R347 PolarHBondContact OD1-NE 3.39Å; D69-R347 IonicContact OD1-NH2 3.58Å; D69-R347 PolarHBondContact OD1-NH2 3.28Å; D69-R347 IonicContact OD2-NH2 3.98Å; D69-R347 PolarHBondContact OD2-NH2 3.2Å; L343-R347 PolarHBondContact O-N 3.01Å; F344-R347 VanDerWaalsContact O-CB 3.24Å; F344-R347 WeakPolarHBondContact O-CB 3.34Å; F344-R347 VanDerWaalsContact O-CD 3.23Å; F344-R347 WeakPolarHBondContact O-CD 3.31Å; F344-R347 WeakPolarHBondContact O-CG 3.42Å; F344-R347 PolarHBondContact O-N 3.02Å; F344-R347 VanDerWaalsContact O-N 3.13Å; F344-R347 PolarHBondContact O-NH1 2.9Å; R347-L350 PolarHBondContact O-N 2.75Å; R347-H351 WeakPolarHBondContact O-CB 3.34Å; R347-H351 PolarHBondContact O-N 3Å; R347-L363 HydrophobicContact CB-CD1 4.43Å
348A97.8Very high96.7Very high7 Ų753.3 Ų53.36%0.05826%0.259CS..Hα-helixtrans-65.4-47.9177.100000112L61 A64 E65 K346 L350 H351 I352L61-A348 HydrophobicContact CD1-CB 3.89Å; A64-A348 HydrophobicContact CB-CB 4.16Å; E65-A348 HydrophobicContact CB-CB 3.87Å; K346-A348 VanDerWaalsContact C-N 3.25Å; K346-A348 PolarHBondContact O-N 3.04Å; K346-A348 VanDerWaalsContact O-N 3.15Å; A348-L350 VanDerWaalsContact C-N 3.33Å; A348-L350 PolarHBondContact O-N 2.85Å; A348-H351 WeakPolarHBondContact O-CB 3.46Å; A348-H351 PolarHBondContact O-N 3.17Å; A348-I352 PolarHBondContact O-N 2.99Å
349Q97.5Very high96.7Very high50 Ų5050 Ų5023%0.23424%0.239CC..Hα-helixtrans-61-44.2175.9-65.1179.517.500110.9L53 L61 K346 H351 I352 L353L53-Q349 HydrophobicContact CD2-CB 3.93Å; L53-Q349 HydrophobicContact CD2-CG 3.93Å; L61-Q349 HydrophobicContact CD1-CG 3.89Å; K346-Q349 HydrophobicContact CB-CB 4.45Å; K346-Q349 WeakPolarHBondContact O-CB 3.33Å; K346-Q349 PolarHBondContact O-N 2.91Å; Q349-H351 VanDerWaalsContact C-N 3.3Å; Q349-H351 PolarHBondContact O-N 3.02Å; Q349-I352 PolarHBondContact O-N 3.39Å; Q349-L353 WeakPolarHBondContact O-CB 3.32Å; Q349-L353 VanDerWaalsContact O-CG 3.26Å; Q349-L353 WeakPolarHBondContact O-CG 3.11Å; Q349-L353 PolarHBondContact O-N 2.97Å
350L97.4Very high96.5Very high3 Ų349.9 Ų49.92%0.01624%0.241CC..Hα-helixtrans-62.6-36.1177.5-67.2176.8000112.2F332 I337 L343 K346 R347 A348 I352 F354 F362F332-L350 HydrophobicContact CD1-CD2 4.4Å; F332-L350 HydrophobicContact CE1-CD2 3.72Å; I337-L350 HydrophobicContact CD1-CD1 4.31Å; I337-L350 HydrophobicContact CD1-CD2 3.79Å; I337-L350 HydrophobicContact CD1-CG 4.28Å; L343-L350 HydrophobicContact CD2-CD1 3.77Å; K346-L350 WeakPolarHBondContact O-CG 3.44Å; K346-L350 PolarHBondContact O-N 3.2Å; R347-L350 PolarHBondContact O-N 2.75Å; A348-L350 VanDerWaalsContact C-N 3.33Å; A348-L350 PolarHBondContact O-N 2.85Å; L350-I352 VanDerWaalsContact C-N 3.32Å; L350-I352 PolarHBondContact O-N 3.5Å; L350-F354 HydrophobicContact CB-CD2 4.47Å; L350-F354 HydrophobicContact CD2-CD2 3.77Å; L350-F354 HydrophobicContact CD2-CE2 3.45Å; L350-F354 VanDerWaalsContact CD2-CE2 3.45Å; L350-F354 HydrophobicContact CD2-CZ 4.4Å; L350-F354 WeakPolarHBondContact O-CB 3.39Å; L350-F354 PolarHBondContact O-N 3.06Å; L350-F362 HydrophobicContact CB-CD2 4.43Å; L350-F362 HydrophobicContact CD1-CB 4.2Å; L350-F362 HydrophobicContact CD1-CD2 4.16Å; L350-F362 HydrophobicContact CD2-CD2 4.42Å
351H97.4Very high96.4Very high34 Ų3453.2 Ų53.216%0.15725%0.254CS..Hα-helixtrans-63.4-37.4175.5-175.747.6000112.9K67 M68 R347 A348 Q349 S359K67-H351 PolarHBondContact NZ-NE2 3.19Å; M68-H351 HydrophobicContact CG-CB 3.75Å; M68-H351 HydrophobicContact SD-CB 3.64Å; M68-H351 VanDerWaalsContact SD-CG 3.58Å; R347-H351 WeakPolarHBondContact O-CB 3.34Å; R347-H351 PolarHBondContact O-N 3Å; A348-H351 WeakPolarHBondContact O-CB 3.46Å; A348-H351 PolarHBondContact O-N 3.17Å; Q349-H351 VanDerWaalsContact C-N 3.3Å; Q349-H351 PolarHBondContact O-N 3.02Å; H351-S359 PolarHBondContact ND1-OG 2.67Å
352I96.6Very high96.3Very high68 Ų6849.4 Ų49.435%0.34924%0.237SC..Hα-helixtrans-77.4-41179.7-61.5168.4000110.9I56 L61 A64 A348 Q349 L350I56-I352 HydrophobicContact CD1-CB 4.13Å; I56-I352 HydrophobicContact CD1-CD1 3.83Å; I56-I352 HydrophobicContact CD1-CG2 3.58Å; I56-I352 HydrophobicContact CG1-CD1 4.46Å; I56-I352 HydrophobicContact CG1-CG2 4.22Å; I56-I352 HydrophobicContact CG2-CD1 3.98Å; L61-I352 HydrophobicContact CD1-CD1 4.45Å; A64-I352 HydrophobicContact CB-CD1 3.78Å; A64-I352 HydrophobicContact CB-CG1 3.89Å; A348-I352 PolarHBondContact O-N 2.99Å; Q349-I352 PolarHBondContact O-N 3.39Å; L350-I352 VanDerWaalsContact C-N 3.32Å; L350-I352 PolarHBondContact O-N 3.5Å
353L96.6Very high96.2Very high20 Ų2047 Ų4711%0.10523%0.226CC..Hα-helixtrans-83.1-24.5-172-69.3177000114.6M49 Q52 L53 L335 Q349M49-L353 HydrophobicContact CB-CD1 4.41Å; M49-L353 HydrophobicContact CB-CD2 4.1Å; M49-L353 HydrophobicContact CE-CB 3.76Å; M49-L353 HydrophobicContact CE-CD1 4.12Å; M49-L353 HydrophobicContact CE-CG 4.43Å; M49-L353 HydrophobicContact CG-CD2 4.47Å; Q52-L353 HydrophobicContact CB-CD2 3.92Å; L53-L353 HydrophobicContact CD1-CD1 3.94Å; L53-L353 HydrophobicContact CD2-CD1 3.68Å; L53-L353 HydrophobicContact CD2-CD2 4.11Å; L53-L353 HydrophobicContact CD2-CG 3.92Å; L53-L353 HydrophobicContact CG-CD1 3.77Å; L53-L353 HydrophobicContact CG-CD2 4.14Å; L53-L353 HydrophobicContact CG-CG 4.28Å; L335-L353 HydrophobicContact CD1-CD1 3.99Å; L335-L353 HydrophobicContact CD2-CD1 4.33Å; Q349-L353 WeakPolarHBondContact O-CB 3.32Å; Q349-L353 VanDerWaalsContact O-CG 3.26Å; Q349-L353 WeakPolarHBondContact O-CG 3.11Å; Q349-L353 PolarHBondContact O-N 2.97Å
354F96.6Very high96.1Very high23 Ų2351.1 Ų51.110%0.10124%0.242CC..SBendtrans-118.5161.4-175.3-67.8-99.9000111.8M49 V331 F332 L335 L350 F362M49-F354 HydrophobicContact CE-CD2 3.96Å; M49-F354 HydrophobicContact CE-CE1 4.09Å; M49-F354 HydrophobicContact CE-CE2 3.35Å; M49-F354 HydrophobicContact CE-CZ 3.45Å; M49-F354 VanDerWaalsContact CE-CZ 3.45Å; V331-F354 HydrophobicContact CG1-CZ 4Å; F332-F354 HydrophobicContact CD1-CZ 4.15Å; F332-F354 HydrophobicContact CE1-CE1 4.36Å; F332-F354 AromaticContact CE1-CE2 3.98Å; F332-F354 HydrophobicContact CE1-CE2 3.98Å; F332-F354 AromaticContact CE1-CZ 3.62Å; F332-F354 HydrophobicContact CE1-CZ 3.62Å; L335-F354 HydrophobicContact CD1-CE2 4.16Å; L335-F354 HydrophobicContact CD1-CZ 4.5Å; L350-F354 HydrophobicContact CB-CD2 4.47Å; L350-F354 HydrophobicContact CD2-CD2 3.77Å; L350-F354 HydrophobicContact CD2-CE2 3.45Å; L350-F354 VanDerWaalsContact CD2-CE2 3.45Å; L350-F354 HydrophobicContact CD2-CZ 4.4Å; L350-F354 WeakPolarHBondContact O-CB 3.39Å; L350-F354 PolarHBondContact O-N 3.06Å; F354-F362 HydrophobicContact CB-CE2 4.28Å; F354-F362 AromaticContact CD1-CE2 3.81Å; F354-F362 HydrophobicContact CD1-CE2 3.81Å; F354-F362 HydrophobicContact CD1-CZ 4.26Å; F354-F362 HydrophobicContact CD2-CE2 4.19Å; F354-F362 HydrophobicContact CE1-CE2 4.08Å; F354-F362 HydrophobicContact CE1-CZ 4.31Å; F354-F362 HydrophobicContact CE2-CE2 4.44Å; F354-F362 AromaticContact CG-CE2 3.85Å; F354-F362 HydrophobicContact CG-CE2 3.85Å; F354-F362 HydrophobicContact CZ-CE2 4.37Å
355S96Very high96Very high72 Ų7248.5 Ų48.550%0.50323%0.23SC..  trans-59.5150.4172.265.60000111.3R357 S358 S359S355-R357 PolarHBondContact O-N 2.9Å; S355-R357 VanDerWaalsContact O-N 3.13Å; S355-S358 WeakPolarHBondContact O-CA 3.46Å; S355-S358 WeakPolarHBondContact O-CB 3.43Å; S355-S358 PolarHBondContact O-N 3.36Å; S355-S358 PolarHBondContact OG-OG 2.83Å; S355-S359 PolarHBondContact O-N 3.2Å
356Q93.7Very high95.9Very high127 Ų12743.8 Ų43.859%0.59321%0.209SC*.Hα-helixtrans-52.3-38.6179.3-173.5178.711.500113.1S358 S359 A360Q356-S358 PolarHBondContact O-N 3.05Å; Q356-S359 WeakPolarHBondContact CA-OG 3.12Å; Q356-S359 PolarHBondContact O-OG 2.92Å; Q356-S359 VanDerWaalsContact O-OG 3.08Å; Q356-A360 WeakPolarHBondContact O-CB 3.47Å; Q356-A360 PolarHBondContact O-N 2.85Å
357R93.3Very high95.9Very high200 Ų20042.1 Ų42.176%0.75520%0.202SC*.Hα-helixtrans-61.4-44.7175.8-176.8178.8-69.7179.6-1.5111.8S355 Y361S355-R357 PolarHBondContact O-N 2.9Å; S355-R357 VanDerWaalsContact O-N 3.13Å; R357-Y361 WeakPolarHBondContact O-CB 3.37Å; R357-Y361 PolarHBondContact O-N 2.85Å; R357-Y361 VanDerWaalsContact O-N 3.08Å
358S94.7Very high95.8Very high37 Ų3741 Ų4126%0.25920%0.197SC..Hα-helixtrans-69.1-46.5-179.8-51.10000110.7S355 Q356 A360 Y361 F362S355-S358 WeakPolarHBondContact O-CA 3.46Å; S355-S358 WeakPolarHBondContact O-CB 3.43Å; S355-S358 PolarHBondContact O-N 3.36Å; S355-S358 PolarHBondContact OG-OG 2.83Å; Q356-S358 PolarHBondContact O-N 3.05Å; S358-A360 VanDerWaalsContact C-N 3.32Å; S358-A360 PolarHBondContact O-N 3.02Å; S358-Y361 PolarHBondContact O-N 3.49Å; S358-F362 WeakPolarHBondContact O-CD2 3.45Å; S358-F362 WeakPolarHBondContact O-CG 3.24Å; S358-F362 PolarHBondContact O-N 3.2Å
359S95.1Very high95.6Very high4 Ų441.7 Ų41.73%0.02820%0.2CC..Hα-helixtrans-62-40.1179.170.30000111.9H351 S355 Q356 F362 L363H351-S359 PolarHBondContact ND1-OG 2.67Å; S355-S359 PolarHBondContact O-N 3.2Å; Q356-S359 WeakPolarHBondContact CA-OG 3.12Å; Q356-S359 PolarHBondContact O-OG 2.92Å; Q356-S359 VanDerWaalsContact O-OG 3.08Å; S359-F362 PolarHBondContact O-N 3.17Å; S359-L363 PolarHBondContact O-N 3.06Å
360A93.9Very high95Very high28 Ų2841.4 Ų41.423%0.23120%0.2CC..Hα-helixtrans-65.7-38.417600000112.4Q356 S358 R364Q356-A360 WeakPolarHBondContact O-CB 3.47Å; Q356-A360 PolarHBondContact O-N 2.85Å; S358-A360 VanDerWaalsContact C-N 3.32Å; S358-A360 PolarHBondContact O-N 3.02Å; A360-R364 WeakPolarHBondContact O-CB 3.24Å; A360-R364 WeakPolarHBondContact O-CG 3.41Å; A360-R364 PolarHBondContact O-N 2.93Å; A360-R364 VanDerWaalsContact O-N 3.09Å
361Y94.8Very high93.8Very high70 Ų7043.9 Ų43.928%0.27523%0.227SC..Hα-helixtrans-66.1-42174164.2-100.7000112I321 C322 I324 R357 S358 R364 T365I321-Y361 VanDerWaalsContact CG2-OH 3.26Å; I321-Y361 WeakPolarHBondContact CG2-OH 3.21Å; C322-Y361 PolarHBondContact O-OH 2.93Å; I324-Y361 HydrophobicContact CG1-CE1 4.32Å; R357-Y361 WeakPolarHBondContact O-CB 3.37Å; R357-Y361 PolarHBondContact O-N 2.85Å; R357-Y361 VanDerWaalsContact O-N 3.08Å; S358-Y361 PolarHBondContact O-N 3.49Å; Y361-R364 PolarHBondContact O-N 3.11Å; Y361-T365 WeakPolarHBondContact O-CB 3.49Å; Y361-T365 PolarHBondContact O-N 3.07Å; Y361-T365 PolarHBondContact O-OG1 3.46Å
362F95.7Very high92.1Very high11 Ų1150.5 Ų50.55%0.04825%0.25CS..Hα-helixtrans-64.8-41.3176.9-56.3-32.2000112.1T328 F332 L343 L350 F354 S358 S359 T365 S366T328-F362 HydrophobicContact CG2-CZ 4.43Å; F332-F362 HydrophobicContact CE1-CD2 4.42Å; F332-F362 HydrophobicContact CE1-CE2 4.02Å; F332-F362 HydrophobicContact CE1-CZ 4.15Å; F332-F362 HydrophobicContact CE2-CD1 4.32Å; F332-F362 HydrophobicContact CE2-CE1 4.06Å; F332-F362 HydrophobicContact CE2-CZ 4.32Å; F332-F362 AromaticContact CZ-CD1 3.83Å; F332-F362 HydrophobicContact CZ-CD1 3.83Å; F332-F362 AromaticContact CZ-CD2 3.91Å; F332-F362 HydrophobicContact CZ-CD2 3.91Å; F332-F362 AromaticContact CZ-CE1 3.54Å; F332-F362 HydrophobicContact CZ-CE1 3.54Å; F332-F362 AromaticContact CZ-CE2 3.62Å; F332-F362 HydrophobicContact CZ-CE2 3.62Å; F332-F362 HydrophobicContact CZ-CG 4.04Å; F332-F362 AromaticContact CZ-CZ 3.44Å; F332-F362 HydrophobicContact CZ-CZ 3.44Å; F332-F362 VanDerWaalsContact CZ-CZ 3.44Å; L343-F362 HydrophobicContact CD2-CB 4.42Å; L350-F362 HydrophobicContact CB-CD2 4.43Å; L350-F362 HydrophobicContact CD1-CB 4.2Å; L350-F362 HydrophobicContact CD1-CD2 4.16Å; L350-F362 HydrophobicContact CD2-CD2 4.42Å; F354-F362 HydrophobicContact CB-CE2 4.28Å; F354-F362 AromaticContact CD1-CE2 3.81Å; F354-F362 HydrophobicContact CD1-CE2 3.81Å; F354-F362 HydrophobicContact CD1-CZ 4.26Å; F354-F362 HydrophobicContact CD2-CE2 4.19Å; F354-F362 HydrophobicContact CE1-CE2 4.08Å; F354-F362 HydrophobicContact CE1-CZ 4.31Å; F354-F362 HydrophobicContact CE2-CE2 4.44Å; F354-F362 AromaticContact CG-CE2 3.85Å; F354-F362 HydrophobicContact CG-CE2 3.85Å; F354-F362 HydrophobicContact CZ-CE2 4.37Å; S358-F362 WeakPolarHBondContact O-CD2 3.45Å; S358-F362 WeakPolarHBondContact O-CG 3.24Å; S358-F362 PolarHBondContact O-N 3.2Å; S359-F362 PolarHBondContact O-N 3.17Å; F362-T365 PolarHBondContact O-N 2.98Å; F362-S366 WeakPolarHBondContact O-CB 3.39Å; F362-S366 PolarHBondContact O-N 3.43Å; F362-S366 PolarHBondContact O-OG 3.39Å
363L96.2Very high90.1Very high4 Ų450.4 Ų50.42%0.02126%0.26CS..Hα-helixtrans-62.1-50.3176.4-179.862.9000111.2M68 C71 A72 L75 F344 R347 S359 T365 S366 L367M68-L363 HydrophobicContact CE-CB 3.92Å; M68-L363 HydrophobicContact CE-CD1 4.45Å; M68-L363 HydrophobicContact CE-CD2 3.35Å; M68-L363 HydrophobicContact CE-CG 4.08Å; C71-L363 HydrophobicContact CB-CD2 3.81Å; A72-L363 HydrophobicContact CB-CD1 4.11Å; A72-L363 HydrophobicContact CB-CD2 4.15Å; L75-L363 HydrophobicContact CD1-CD2 3.81Å; L75-L363 HydrophobicContact CD1-CG 3.99Å; F344-L363 HydrophobicContact CD2-CD1 4.02Å; F344-L363 HydrophobicContact CE2-CD1 4.04Å; R347-L363 HydrophobicContact CB-CD1 4.43Å; S359-L363 PolarHBondContact O-N 3.06Å; L363-T365 VanDerWaalsContact C-N 3.34Å; L363-T365 PolarHBondContact O-N 3.14Å; L363-S366 PolarHBondContact O-N 2.87Å; L363-S366 VanDerWaalsContact O-N 3.13Å; L363-S366 PolarHBondContact O-OG 2.87Å; L363-L367 HydrophobicContact CD1-CD1 4.13Å; L363-L367 HydrophobicContact CD1-CG 4.46Å; L363-L367 HydrophobicContact CG-CD1 4.15Å; L363-L367 WeakPolarHBondContact O-CG 3.36Å; L363-L367 PolarHBondContact O-N 3.41Å; L363-L367 VanDerWaalsContact O-N 3.15Å
364R95.2Very high88.1Confident87 Ų8752.1 Ų52.133%0.32827%0.269SS..Hα-helixtrans-54.2-50.3176.2-81.5-173.7178.893.9-3.1112.1L75 A360 Y361 S366 L367 G368 I369L75-R364 HydrophobicContact CD1-CG 3.75Å; L75-R364 HydrophobicContact CD2-CG 3.97Å; A360-R364 WeakPolarHBondContact O-CB 3.24Å; A360-R364 WeakPolarHBondContact O-CG 3.41Å; A360-R364 PolarHBondContact O-N 2.93Å; A360-R364 VanDerWaalsContact O-N 3.09Å; Y361-R364 PolarHBondContact O-N 3.11Å; R364-S366 VanDerWaalsContact C-N 3.3Å; R364-S366 PolarHBondContact O-N 3.18Å; R364-L367 CarbonylContact O-C 3.59Å; R364-L367 PolarHBondContact O-N 3.11Å; R364-L367 VanDerWaalsContact O-N 3.09Å; R364-G368 PolarHBondContact O-N 2.91Å; R364-G368 VanDerWaalsContact O-N 3.13Å; R364-I369 CarbonylContact C-O 3.57Å; R364-I369 WeakPolarHBondContact CB-O 3.48Å; R364-I369 HydrophobicContact CG-CG2 4.43Å; R364-I369 PolarHBondContact O-N 2.94Å
365T94.7Very high85.8Confident3 Ų358.3 Ų58.32%0.01830%0.298CS..Hα-helixtrans-55-46.7176.5-61.70000111.4V313 I321 L343 Y361 F362 L363 L367 G368V313-T365 VanDerWaalsContact CG1-O 3.3Å; V313-T365 WeakPolarHBondContact CG1-O 3.49Å; I321-T365 HydrophobicContact CB-CG2 4.13Å; I321-T365 HydrophobicContact CD1-CG2 3.66Å; I321-T365 HydrophobicContact CG1-CG2 3.56Å; I321-T365 HydrophobicContact CG2-CG2 3.57Å; L343-T365 HydrophobicContact CD1-CG2 4.33Å; Y361-T365 WeakPolarHBondContact O-CB 3.49Å; Y361-T365 PolarHBondContact O-N 3.07Å; Y361-T365 PolarHBondContact O-OG1 3.46Å; F362-T365 PolarHBondContact O-N 2.98Å; L363-T365 VanDerWaalsContact C-N 3.34Å; L363-T365 PolarHBondContact O-N 3.14Å; T365-L367 PolarHBondContact O-N 3.36Å; T365-G368 PolarHBondContact O-N 3.45Å
366S96Very high83.6Confident3 Ų360.3 Ų60.32%0.02130%0.298CS..Hα-helixtrans-67.5-19.3-177.873.70000114.1V313 F362 L363 R364V313-S366 WeakPolarHBondContact CG1-O 3.26Å; F362-S366 WeakPolarHBondContact O-CB 3.39Å; F362-S366 PolarHBondContact O-N 3.43Å; F362-S366 PolarHBondContact O-OG 3.39Å; L363-S366 PolarHBondContact O-N 2.87Å; L363-S366 VanDerWaalsContact O-N 3.13Å; L363-S366 PolarHBondContact O-OG 2.87Å; R364-S366 VanDerWaalsContact C-N 3.3Å; R364-S366 PolarHBondContact O-N 3.18Å
367L96.2Very high81.3Confident9 Ų961.7 Ų61.75%0.04731%0.309CS..THydrogen-bonded Turntrans-96.2-4.6174.4-66.4171.8000112.4A72 L75 R79 I310 F344 L363 R364 T365 I369A72-L367 HydrophobicContact CB-CD1 4.14Å; L75-L367 HydrophobicContact CB-CD1 4.19Å; L75-L367 HydrophobicContact CD1-CD1 4.16Å; R79-L367 PolarHBondContact NH1-O 2.88Å; R79-L367 PolarHBondContact NH2-O 3.47Å; I310-L367 HydrophobicContact CD1-CD2 4.35Å; F344-L367 HydrophobicContact CD2-CD2 3.98Å; F344-L367 HydrophobicContact CD2-CG 4.4Å; F344-L367 HydrophobicContact CE2-CD2 3.72Å; F344-L367 HydrophobicContact CE2-CG 4.37Å; L363-L367 HydrophobicContact CD1-CD1 4.13Å; L363-L367 HydrophobicContact CD1-CG 4.46Å; L363-L367 HydrophobicContact CG-CD1 4.15Å; L363-L367 WeakPolarHBondContact O-CG 3.36Å; L363-L367 PolarHBondContact O-N 3.41Å; L363-L367 VanDerWaalsContact O-N 3.15Å; R364-L367 CarbonylContact O-C 3.59Å; R364-L367 PolarHBondContact O-N 3.11Å; R364-L367 VanDerWaalsContact O-N 3.09Å; T365-L367 PolarHBondContact O-N 3.36Å; L367-I369 VanDerWaalsContact C-N 3.27Å; L367-I369 HydrophobicContact CB-CD1 4.23Å; L367-I369 HydrophobicContact CB-CG1 4.24Å; L367-I369 PolarHBondContact O-N 3.06Å
368G95.9Very high79.2Confident0 Ų060 Ų600%031%0.31CS..THydrogen-bonded Turntrans70.822.4-17300000114.2N283 L286 R364 T365N283-G368 PolarHBondContact ND2-O 3.15Å; L286-G368 WeakPolarHBondContact CD1-O 3.27Å; R364-G368 PolarHBondContact O-N 2.91Å; R364-G368 VanDerWaalsContact O-N 3.13Å; T365-G368 PolarHBondContact O-N 3.45Å
369I94.3Very high77.4Confident22 Ų2265.2 Ų65.211%0.11333%0.33CS..  trans-100.6135.4178-67.7176.3000108.8L75 E76 R79 R364 L367L75-I369 HydrophobicContact CB-CD1 3.92Å; L75-I369 WeakPolarHBondContact O-CD1 3.35Å; E76-I369 WeakPolarHBondContact OE2-CD1 3.47Å; R79-I369 HydrophobicContact CB-CD1 4.36Å; R364-I369 CarbonylContact C-O 3.57Å; R364-I369 WeakPolarHBondContact CB-O 3.48Å; R364-I369 HydrophobicContact CG-CG2 4.43Å; R364-I369 PolarHBondContact O-N 2.94Å; L367-I369 VanDerWaalsContact C-N 3.27Å; L367-I369 HydrophobicContact CB-CD1 4.23Å; L367-I369 HydrophobicContact CB-CG1 4.24Å; L367-I369 PolarHBondContact O-N 3.06Å
370D85Confident75.9Confident45 Ų4575.6 Ų75.624%0.24137%0.37CS..  trans-88.5147.8172.2-156.7-16.7000110.9N283 M285 W372N283-D370 HydrophobicContact CB-CB 3.83Å; M285-D370 HydrophobicContact CB-CB 4.14Å; M285-D370 PolarHBondContact N-OD2 2.96Å; D370-W372 PolarHBondContact OD1-N 2.69Å
371G71.8Confident75.3Confident55 Ų5577.9 Ų77.957%0.56738%0.381SS*.SBendtrans-89.1-13.9167.100000112.7A373G371-A373 PolarHBondContact O-N 3.34Å
372W61.1Low75.1Confident172 Ų17279.9 Ų79.965%0.65239%0.388SS*.  trans-83.499.6167.6-96.815.6000109.1D370D370-W372 PolarHBondContact OD1-N 2.69Å
373A55.8Low74.9Confident66 Ų6687.1 Ų87.155%0.54542%0.42SS..  trans-63.9137.6139.900000105.9G371 E375G371-A373 PolarHBondContact O-N 3.34Å; A373-E375 HydrophobicContact CB-CG 3.88Å; A373-E375 PolarHBondContact O-N 2.66Å
374L53.9Low74.9Confident57 Ų5788.5 Ų88.530%0.29843%0.43SS..  trans-66.366.4163.2-80.8152.9000106.9V85 A175 D185 K376V85-L374 HydrophobicContact CG1-CD1 4.3Å; V85-L374 HydrophobicContact CG2-CD1 4.25Å; A175-L374 HydrophobicContact CB-CD2 4.43Å; D185-L374 HydrophobicContact CB-CD1 3.97Å; L374-K376 PolarHBondContact O-N 3.18Å
375E48.6Very low75Confident152 Ų15285.1 Ų85.171%0.7142%0.418SS*.  trans-65.9104.3175.5-85.9178.6-173.100106.1A373 D377A373-E375 HydrophobicContact CB-CG 3.88Å; A373-E375 PolarHBondContact O-N 2.66Å; E375-D377 PolarHBondContact O-N 3.2Å
376K50.4Low75.1Confident115 Ų11586.9 Ų86.950%0.544%0.437SS..THydrogen-bonded Turntrans-65.81.7-174.8-67.3-175.9176-176.30113.8T173 L374T173-K376 WeakPolarHBondContact OG1-CE 3.48Å; L374-K376 PolarHBondContact O-N 3.18Å
377D44.4Very low75.2Confident156 Ų15688.7 Ų88.783%0.83445%0.448SS*.THydrogen-bonded Turntrans-126.2-4.7-161.2-84.2-32.9000117.5E375 E379E375-D377 PolarHBondContact O-N 3.2Å; D377-E379 PolarHBondContact O-N 2.88Å
378E50.6Low75.3Confident165 Ų16593 Ų9377%0.77147%0.467SS*.SBendtrans-85.589.3161.7-78-159.5174.500108.7Y380E378-Y380 PolarHBondContact O-N 3.4Å
379E55Low75.3Confident145 Ų14597.9 Ų97.968%0.67849%0.486SS*.  trans-39.8106.8168-171.3173.4-155.300108.5D377 T381D377-E379 PolarHBondContact O-N 2.88Å; E379-T381 HydrophobicContact CG-CG2 4.46Å; E379-T381 WeakPolarHBondContact O-CG2 3.34Å; E379-T381 PolarHBondContact O-N 3.22Å
380Y65.3Low75.5Confident222 Ų222101.1 Ų101.187%0.87151%0.507SS*.  trans-66.586.4-170.9177.4-98000108.9E378 R382E378-Y380 PolarHBondContact O-N 3.4Å; Y380-R382 PolarHBondContact O-N 2.82Å
381T81.2Confident76Confident76 Ų76100.6 Ų100.647%0.46650%0.503SS..  trans-83.4124.4-179.751.70000108.4E379 K383E379-T381 HydrophobicContact CG-CG2 4.46Å; E379-T381 WeakPolarHBondContact O-CG2 3.34Å; E379-T381 PolarHBondContact O-N 3.22Å; T381-K383 PolarHBondContact O-N 3.48Å
382R89Confident77.1Confident112 Ų112105.2 Ų105.242%0.42351%0.514SS..  trans-55.6130.1175.7-178.6-179.8-65.5-173.1-0.6109.5Y380 S384 R418 F485Y380-R382 PolarHBondContact O-N 2.82Å; R382-S384 WeakPolarHBondContact CD-O 3.37Å; R382-S384 VanDerWaalsContact CG-O 3.24Å; R382-S384 WeakPolarHBondContact CG-O 3.36Å; R382-R418 VanDerWaalsContact NH1-NE 3.12Å; R382-F485 HydrophobicContact CB-CE2 4.43Å; R382-F485 HydrophobicContact CG-CE2 4.06Å; R382-F485 WeakPolarHBondContact O-CD2 3.27Å; R382-F485 VanDerWaalsContact O-CE2 3.27Å; R382-F485 WeakPolarHBondContact O-CE2 3.42Å
383K92.5Very high78.8Confident164 Ų164100 Ų10071%0.71350%0.497SS*.  trans-91.4-17.9-178.1-61.3-178.5-179.5176.30114.5T381T381-K383 PolarHBondContact O-N 3.48Å
384S96.4Very high80.8Confident33 Ų3398.2 Ų98.223%0.23148%0.478CS..EExtended strand (participates in β ladder)trans-163.1161.7178.463.50000113.5R382 R481 L482 F485R382-S384 WeakPolarHBondContact CD-O 3.37Å; R382-S384 VanDerWaalsContact CG-O 3.24Å; R382-S384 WeakPolarHBondContact CG-O 3.36Å; S384-R481 VanDerWaalsContact CB-NH2 3.26Å; S384-R481 VanDerWaalsContact OG-CZ 3.28Å; S384-R481 PolarHBondContact OG-NE 3.48Å; S384-R481 PolarHBondContact OG-NH2 2.83Å; S384-L482 CarbonylContact C-O 3.57Å; S384-L482 VanDerWaalsContact CA-O 3.27Å; S384-L482 WeakPolarHBondContact CA-O 3.42Å; S384-L482 WeakPolarHBondContact CB-O 3.15Å; S384-F485 VanDerWaalsContact C-CZ 3.49Å; S384-F485 VanDerWaalsContact CA-CZ 3.47Å
385I96.3Very high82.8Confident15 Ų1598.6 Ų98.68%0.07748%0.481CS..EExtended strand (participates in β ladder)trans-134.1139171.4-166.9165.4000109.3V411 S414 A415 R481 L482 F485I385-V411 HydrophobicContact CG2-CG1 4.07Å; I385-S414 WeakPolarHBondContact CD1-O 3.49Å; I385-A415 HydrophobicContact CG2-CB 4.25Å; I385-R481 CarbonylContact O-C 3.57Å; I385-R481 WeakPolarHBondContact O-CA 3.28Å; I385-L482 HydrophobicContact CG2-CB 3.99Å; I385-L482 HydrophobicContact CG2-CD2 4.49Å; I385-L482 PolarHBondContact N-O 3.33Å; I385-L482 PolarHBondContact O-N 3.43Å; I385-L482 VanDerWaalsContact O-O 3.13Å; I385-F485 HydrophobicContact CB-CZ 4.06Å; I385-F485 HydrophobicContact CG2-CE1 4.08Å; I385-F485 HydrophobicContact CG2-CZ 3.79Å
386G97.4Very high85.1Confident41 Ų4193.8 Ų93.842%0.42346%0.462SS..EExtended strand (participates in β ladder)trans-165.2161.7-177.500000112.5V480G386-V480 CarbonylContact C-O 3.45Å; G386-V480 WeakPolarHBondContact CA-O 3.16Å
387V97.8Very high87.2Confident40 Ų4094.8 Ų94.824%0.24246%0.462CS..EExtended strand (participates in β ladder)trans-133.9138.1177.7177.10000108.1L407 T410 V411 G479 V480V387-L407 HydrophobicContact CB-CD2 4.35Å; V387-L407 HydrophobicContact CG1-CD2 3.84Å; V387-T410 HydrophobicContact CG1-CG2 4.39Å; V387-T410 HydrophobicContact CG2-CG2 3.88Å; V387-V411 HydrophobicContact CB-CG2 3.92Å; V387-V411 HydrophobicContact CG2-CG2 3.91Å; V387-G479 CarbonylContact O-C 3.56Å; V387-G479 WeakPolarHBondContact O-CA 3.01Å; V387-V480 PolarHBondContact N-O 3.03Å; V387-V480 PolarHBondContact O-N 2.99Å
388E98.1Very high89.8Confident99 Ų9993.3 Ų93.346%0.46345%0.451SS..EExtended strand (participates in β ladder)trans-130.4142.417064.2-174.4-126.600110.4K428 L477 M478E388-K428 VanDerWaalsContact CD-NZ 3.31Å; E388-K428 IonicContact OE1-NZ 2.69Å; E388-K428 PolarHBondContact OE1-NZ 2.88Å; E388-K428 VanDerWaalsContact OE1-NZ 3.12Å; E388-K428 WeakPolarHBondContact OE2-CD 3.23Å; E388-K428 WeakPolarHBondContact OE2-CE 3.2Å; E388-K428 IonicContact OE2-NZ 3.42Å; E388-K428 PolarHBondContact OE2-NZ 2.8Å; E388-L477 HydrophobicContact CB-CD2 4.21Å; E388-L477 HydrophobicContact CB-CG 4.46Å; E388-M478 WeakPolarHBondContact CA-O 3.43Å
389R97.6Very high92Very high104 Ų10491 Ų9139%0.39244%0.438SS..EExtended strand (participates in β ladder)trans-125.2133.2177.4-70.9-178.7-172.7167.24.3109.6F391 M403 L407 T410 L477 M478R389-F391 HydrophobicContact CB-CD1 4.48Å; R389-F391 WeakPolarHBondContact O-CD1 3.39Å; R389-F391 WeakPolarHBondContact O-CE1 3.47Å; R389-M403 HydrophobicContact CB-SD 4.49Å; R389-L407 HydrophobicContact CB-CD2 4.37Å; R389-L407 HydrophobicContact CG-CD2 3.95Å; R389-T410 PolarHBondContact NH2-OG1 3.5Å; R389-L477 WeakPolarHBondContact O-CA 3.19Å; R389-L477 WeakPolarHBondContact O-CG 3.35Å; R389-M478 PolarHBondContact N-O 2.89Å; R389-M478 PolarHBondContact O-N 2.82Å; R389-M478 VanDerWaalsContact O-N 3.16Å
390T96.7Very high94.1Very high90 Ų9084.1 Ų84.155%0.55241%0.406SS*.EExtended strand (participates in β ladder)trans-94136.1168.2-60.50000108.5R476 L477T390-R476 CarbonylContact C-O 3.6Å; T390-R476 VanDerWaalsContact CA-O 3.3Å; T390-R476 WeakPolarHBondContact CA-O 3.4Å; T390-R476 WeakPolarHBondContact CG2-O 3.49Å; T390-L477 WeakPolarHBondContact OG1-CD1 3.48Å
391F96.1Very high95.7Very high34 Ų3475.2 Ų75.215%0.14937%0.373CS..EExtended strand (participates in β ladder)trans-142.1168-176.140.5-107.4000111.1R389 L394 M403 L475 R476 M478R389-F391 HydrophobicContact CB-CD1 4.48Å; R389-F391 WeakPolarHBondContact O-CD1 3.39Å; R389-F391 WeakPolarHBondContact O-CE1 3.47Å; F391-L394 HydrophobicContact CD1-CD1 4.39Å; F391-L394 HydrophobicContact CD2-CB 4.25Å; F391-L394 HydrophobicContact CD2-CD1 3.78Å; F391-L394 HydrophobicContact CD2-CG 3.65Å; F391-L394 HydrophobicContact CE1-CD1 4.29Å; F391-L394 HydrophobicContact CE2-CB 3.84Å; F391-L394 HydrophobicContact CE2-CD1 3.64Å; F391-L394 HydrophobicContact CE2-CG 3.68Å; F391-L394 HydrophobicContact CG-CD1 4.13Å; F391-L394 HydrophobicContact CG-CG 4.35Å; F391-L394 HydrophobicContact CZ-CD1 3.9Å; F391-L394 HydrophobicContact CZ-CG 4.44Å; F391-M403 HydrophobicContact CD1-CE 3.65Å; F391-M403 HydrophobicContact CD1-CG 4.26Å; F391-M403 HydrophobicContact CD1-SD 3.91Å; F391-M403 HydrophobicContact CE1-CE 3.98Å; F391-M403 HydrophobicContact CE1-CG 3.6Å; F391-M403 HydrophobicContact CE1-SD 3.8Å; F391-M403 HydrophobicContact CG-CE 4.34Å; F391-M403 HydrophobicContact CZ-CG 4.19Å; F391-L475 HydrophobicContact CE2-CB 4.09Å; F391-L475 HydrophobicContact CZ-CB 4.37Å; F391-R476 PolarHBondContact N-O 2.89Å; F391-M478 HydrophobicContact CE1-CB 3.82Å; F391-M478 HydrophobicContact CZ-CB 3.85Å
392N94.5Very high96.5Very high151 Ų15177.5 Ų77.581%0.80738%0.378SS*.EExtended strand (participates in β ladder)trans-62.7155.1165.9-69.6-30.1000110.2L394N392-L394 PolarHBondContact O-N 3.18Å; N392-L394 VanDerWaalsContact O-N 3.13Å
393E97.2Very high96.9Very high63 Ų6373.6 Ų73.629%0.29437%0.365SS..EExtended strand (participates in β ladder)trans-45.7120-172.4-177.6179.1146.100113.6R30 N395 I432 R474 L475R30-E393 IonicContact NH1-OE2 3.8Å; E393-N395 PolarHBondContact OE1-ND2 3.08Å; E393-N395 VanDerWaalsContact OE1-ND2 3.1Å; E393-I432 HydrophobicContact CB-CG2 4.05Å; E393-I432 HydrophobicContact CG-CG2 3.7Å; E393-R474 VanDerWaalsContact CD-NH2 3.3Å; E393-R474 HydrophobicContact CG-CB 4.44Å; E393-R474 IonicContact OE1-CZ 3.48Å; E393-R474 VanDerWaalsContact OE1-CZ 3.28Å; E393-R474 IonicContact OE1-NE 3.81Å; E393-R474 PolarHBondContact OE1-NE 2.94Å; E393-R474 IonicContact OE1-NH2 2.66Å; E393-R474 PolarHBondContact OE1-NH2 3.48Å; E393-R474 IonicContact OE2-CZ 3.56Å; E393-R474 IonicContact OE2-NE 3.06Å; E393-R474 PolarHBondContact OE2-NE 3.4Å; E393-R474 IonicContact OE2-NH2 3.43Å; E393-R474 PolarHBondContact OE2-NH2 2.92Å; E393-L475 WeakPolarHBondContact CA-O 3.37Å
394L97.2Very high97.2Very high29 Ų2965.8 Ų65.815%0.15233%0.331CS..EExtended strand (participates in β ladder)trans-108.3132.2167.5-64-176.2000109.1F391 N392 K399 L400 M403 L475F391-L394 HydrophobicContact CD1-CD1 4.39Å; F391-L394 HydrophobicContact CD2-CB 4.25Å; F391-L394 HydrophobicContact CD2-CD1 3.78Å; F391-L394 HydrophobicContact CD2-CG 3.65Å; F391-L394 HydrophobicContact CE1-CD1 4.29Å; F391-L394 HydrophobicContact CE2-CB 3.84Å; F391-L394 HydrophobicContact CE2-CD1 3.64Å; F391-L394 HydrophobicContact CE2-CG 3.68Å; F391-L394 HydrophobicContact CG-CD1 4.13Å; F391-L394 HydrophobicContact CG-CG 4.35Å; F391-L394 HydrophobicContact CZ-CD1 3.9Å; F391-L394 HydrophobicContact CZ-CG 4.44Å; N392-L394 PolarHBondContact O-N 3.18Å; N392-L394 VanDerWaalsContact O-N 3.13Å; L394-K399 HydrophobicContact CD2-CB 4.19Å; L394-K399 HydrophobicContact CD2-CD 4.06Å; L394-L400 HydrophobicContact CB-CD2 3.84Å; L394-M403 HydrophobicContact CD1-CB 4.22Å; L394-M403 HydrophobicContact CD1-CE 4.05Å; L394-M403 HydrophobicContact CD1-CG 4.45Å; L394-L475 PolarHBondContact N-O 3.16Å; L394-L475 PolarHBondContact O-N 3.38Å
395N96Very high97.3Very high64 Ų6468.1 Ų68.134%0.34234%0.335SS..  trans-143.2-5.1-174.561.424.7000114.8E393 P472 L473 R474E393-N395 PolarHBondContact OE1-ND2 3.08Å; E393-N395 VanDerWaalsContact OE1-ND2 3.1Å; N395-P472 HydrophobicContact CB-CB 4.3Å; N395-P472 WeakPolarHBondContact O-CB 3.24Å; N395-L473 WeakPolarHBondContact CA-O 3.49Å; N395-R474 HydrophobicContact CB-CG 4Å
396T96.5Very high97.4Very high51 Ų5170.5 Ų70.531%0.31335%0.348SS..SBendtrans-94144.9175.664.40000110.8E398 K399 L400T396-E398 VanDerWaalsContact C-N 3.25Å; T396-E398 PolarHBondContact O-N 2.91Å; T396-K399 PolarHBondContact O-N 2.98Å; T396-K399 WeakPolarHBondContact OG1-CB 3.38Å; T396-K399 WeakPolarHBondContact OG1-CG 3.16Å; T396-L400 WeakPolarHBondContact O-CB 3.33Å; T396-L400 WeakPolarHBondContact O-CG 3.42Å; T396-L400 PolarHBondContact O-N 2.68Å; T396-L400 VanDerWaalsContact O-N 3.09Å
397R96.2Very high97.5Very high136 Ų13668.6 Ų68.651%0.51333%0.328SS..Hα-helixtrans-57.4-42.1-177.6172.9-179.4173.9161.4-1.5111.3L400 L401 L462 I465R397-L400 PolarHBondContact O-N 3.28Å; R397-L401 HydrophobicContact CG-CD1 3.84Å; R397-L401 WeakPolarHBondContact O-CG 3.35Å; R397-L401 PolarHBondContact O-N 2.87Å; R397-L462 HydrophobicContact CG-CD2 4.48Å; R397-I465 HydrophobicContact CG-CD1 4.47Å
398E97.5Very high97.5Very high126 Ų12666.7 Ų66.759%0.58932%0.316SS*.Hα-helixtrans-63.7-53-175.2-59.166.7-138.700110.3T396 L400 L401 E402T396-E398 VanDerWaalsContact C-N 3.25Å; T396-E398 PolarHBondContact O-N 2.91Å; E398-L400 VanDerWaalsContact C-N 3.3Å; E398-L400 PolarHBondContact O-N 3.29Å; E398-L401 PolarHBondContact O-N 3.44Å; E398-E402 WeakPolarHBondContact O-CB 3.46Å; E398-E402 PolarHBondContact O-N 2.81Å
399K97.9Very high97.5Very high116 Ų11664.8 Ų64.850%0.50431%0.309SS..Hα-helixtrans-65.3-33.4179.5-67.1-177.7-179.7-1770112.8L394 T396 M403L394-K399 HydrophobicContact CD2-CB 4.19Å; L394-K399 HydrophobicContact CD2-CD 4.06Å; T396-K399 PolarHBondContact O-N 2.98Å; T396-K399 WeakPolarHBondContact OG1-CB 3.38Å; T396-K399 WeakPolarHBondContact OG1-CG 3.16Å; K399-M403 WeakPolarHBondContact O-CB 3.4Å; K399-M403 PolarHBondContact O-N 3.31Å
400L98.2Very high97.5Very high1 Ų162 Ų621%0.00530%0.304CS..Hα-helixtrans-67.6-40.9175.5-72.1177.2000111.4L394 T396 R397 E398 C404 L461 I465 L473 L475 M478L394-L400 HydrophobicContact CB-CD2 3.84Å; T396-L400 WeakPolarHBondContact O-CB 3.33Å; T396-L400 WeakPolarHBondContact O-CG 3.42Å; T396-L400 PolarHBondContact O-N 2.68Å; T396-L400 VanDerWaalsContact O-N 3.09Å; R397-L400 PolarHBondContact O-N 3.28Å; E398-L400 VanDerWaalsContact C-N 3.3Å; E398-L400 PolarHBondContact O-N 3.29Å; L400-C404 WeakPolarHBondContact O-CB 3.44Å; L400-C404 PolarHBondContact O-N 2.81Å; L400-L461 HydrophobicContact CB-CD2 4.18Å; L400-L461 WeakPolarHBondContact O-CD2 3.45Å; L400-I465 HydrophobicContact CD1-CD1 4.13Å; L400-I465 HydrophobicContact CD1-CG1 4.33Å; L400-L473 HydrophobicContact CD1-CB 4.44Å; L400-L475 HydrophobicContact CD2-CB 4.2Å; L400-L475 HydrophobicContact CD2-CD1 3.71Å; L400-L475 HydrophobicContact CD2-CG 4.08Å; L400-M478 HydrophobicContact CB-CE 4.33Å; L400-M478 HydrophobicContact CD2-CE 3.88Å; L400-M478 WeakPolarHBondContact O-CE 3.45Å
401L98.4Very high97.6Very high34 Ų3457.8 Ų57.818%0.17828%0.278CS..Hα-helixtrans-69.5-40.6176.2-72.4169.5000111.9R397 E398 C404 R405 F454 L461 L462R397-L401 HydrophobicContact CG-CD1 3.84Å; R397-L401 WeakPolarHBondContact O-CG 3.35Å; R397-L401 PolarHBondContact O-N 2.87Å; E398-L401 PolarHBondContact O-N 3.44Å; L401-C404 WeakPolarHBondContact O-CB 3.47Å; L401-C404 PolarHBondContact O-N 2.78Å; L401-R405 PolarHBondContact O-N 3.27Å; L401-F454 WeakPolarHBondContact O-CE2 3.18Å; L401-L461 HydrophobicContact CD2-CD2 4.23Å; L401-L462 HydrophobicContact CD1-CD2 4.41Å; L401-L462 HydrophobicContact CD2-CD2 4.44Å; L401-L462 HydrophobicContact CD2-CG 4.38Å
402E98.3Very high97.7Very high124 Ų12456.4 Ų56.458%0.57927%0.273SS*.Hα-helixtrans-57.8-51.5173.5-175.5-175.9-174.300111.3E398 C404 R405 D406E398-E402 WeakPolarHBondContact O-CB 3.46Å; E398-E402 PolarHBondContact O-N 2.81Å; E402-C404 VanDerWaalsContact C-N 3.26Å; E402-C404 PolarHBondContact O-N 2.85Å; E402-R405 WeakPolarHBondContact O-CB 3.43Å; E402-R405 PolarHBondContact O-N 3.5Å; E402-R405 VanDerWaalsContact O-N 3.1Å; E402-D406 PolarHBondContact O-N 2.91Å
403M98.1Very high97.9Very high30 Ų3050.7 Ų50.715%0.14825%0.25CS..Hα-helixtrans-59.3-37.5175.2179.963.358.200112.4R389 F391 L394 K399 L407 M478R389-M403 HydrophobicContact CB-SD 4.49Å; F391-M403 HydrophobicContact CD1-CE 3.65Å; F391-M403 HydrophobicContact CD1-CG 4.26Å; F391-M403 HydrophobicContact CD1-SD 3.91Å; F391-M403 HydrophobicContact CE1-CE 3.98Å; F391-M403 HydrophobicContact CE1-CG 3.6Å; F391-M403 HydrophobicContact CE1-SD 3.8Å; F391-M403 HydrophobicContact CG-CE 4.34Å; F391-M403 HydrophobicContact CZ-CG 4.19Å; L394-M403 HydrophobicContact CD1-CB 4.22Å; L394-M403 HydrophobicContact CD1-CE 4.05Å; L394-M403 HydrophobicContact CD1-CG 4.45Å; K399-M403 WeakPolarHBondContact O-CB 3.4Å; K399-M403 PolarHBondContact O-N 3.31Å; M403-L407 HydrophobicContact CG-CD1 4.16Å; M403-L407 WeakPolarHBondContact O-CD1 3.43Å; M403-L407 WeakPolarHBondContact O-CG 3.49Å; M403-L407 PolarHBondContact O-N 3.47Å; M403-L407 VanDerWaalsContact O-N 3.17Å; M403-L407 HydrophobicContact SD-CD1 4.36Å; M403-L407 HydrophobicContact SD-CG 4.41Å; M403-M478 HydrophobicContact CB-SD 4.37Å; M403-M478 HydrophobicContact CG-CB 4.15Å; M403-M478 HydrophobicContact CG-SD 4.06Å
404C98.5Very high97.8Very high0 Ų049 Ų490%025%0.245CC..Hα-helixtrans-64.4-42.5176.7-169.20000111.3L400 L401 E402 L407 C408 F454 L461 M478L400-C404 WeakPolarHBondContact O-CB 3.44Å; L400-C404 PolarHBondContact O-N 2.81Å; L401-C404 WeakPolarHBondContact O-CB 3.47Å; L401-C404 PolarHBondContact O-N 2.78Å; E402-C404 VanDerWaalsContact C-N 3.26Å; E402-C404 PolarHBondContact O-N 2.85Å; C404-L407 PolarHBondContact O-N 2.99Å; C404-C408 PolarHBondContact O-N 2.87Å; C404-C408 PolarHBondContact O-SG 2.85Å; C404-C408 VanDerWaalsContact O-SG 3.41Å; C404-F454 HydrophobicContact CB-CE2 4.16Å; C404-L461 HydrophobicContact CB-CD2 3.8Å; C404-M478 HydrophobicContact CB-SD 3.68Å
405R98.7Very high97.8Very high83 Ų8347.7 Ų47.731%0.31324%0.238SC..Hα-helixtrans-60.3-52.7176.3176.958.7-175.2-129.313.6111.3L401 E402 L407 C408 D409 D451 F454L401-R405 PolarHBondContact O-N 3.27Å; E402-R405 WeakPolarHBondContact O-CB 3.43Å; E402-R405 PolarHBondContact O-N 3.5Å; E402-R405 VanDerWaalsContact O-N 3.1Å; R405-L407 PolarHBondContact O-N 2.9Å; R405-C408 WeakPolarHBondContact O-CA 3.4Å; R405-C408 WeakPolarHBondContact O-CB 3.49Å; R405-C408 PolarHBondContact O-N 2.92Å; R405-D409 IonicContact CZ-OD1 2.75Å; R405-D409 IonicContact NE-OD1 2.72Å; R405-D409 PolarHBondContact NE-OD1 3.16Å; R405-D409 VanDerWaalsContact NE-OD1 3.17Å; R405-D409 IonicContact NE-OD2 2.79Å; R405-D409 PolarHBondContact NE-OD2 2.9Å; R405-D409 IonicContact NH2-OD1 3.14Å; R405-D409 PolarHBondContact O-N 2.92Å; R405-D451 IonicContact CZ-OD1 3.58Å; R405-D451 IonicContact NH1-OD1 2.88Å; R405-D451 PolarHBondContact NH1-OD1 3.21Å; R405-D451 IonicContact NH2-OD1 3.52Å; R405-D451 PolarHBondContact NH2-OD1 3.14Å; R405-F454 HydrophobicContact CB-CD2 3.84Å; R405-F454 HydrophobicContact CB-CE2 3.63Å; R405-F454 HydrophobicContact CB-CZ 4.18Å
406D98.5Very high97.8Very high65 Ų6548.7 Ų48.735%0.34825%0.247SC..Hα-helixtrans-53.7-41.5178.1-76.6-1.5000112.7E402 T410E402-D406 PolarHBondContact O-N 2.91Å; D406-T410 WeakPolarHBondContact O-CB 3.36Å; D406-T410 PolarHBondContact O-N 3Å; D406-T410 PolarHBondContact O-OG1 2.9Å
407L98.6Very high97.8Very high0 Ų055.1 Ų55.10%027%0.27CS..Hα-helixtrans-69.1-42.3178.4-70.2169.9000111.4V387 R389 M403 C404 R405 T410 V411 M478 V480V387-L407 HydrophobicContact CB-CD2 4.35Å; V387-L407 HydrophobicContact CG1-CD2 3.84Å; R389-L407 HydrophobicContact CB-CD2 4.37Å; R389-L407 HydrophobicContact CG-CD2 3.95Å; M403-L407 HydrophobicContact CG-CD1 4.16Å; M403-L407 WeakPolarHBondContact O-CD1 3.43Å; M403-L407 WeakPolarHBondContact O-CG 3.49Å; M403-L407 PolarHBondContact O-N 3.47Å; M403-L407 VanDerWaalsContact O-N 3.17Å; M403-L407 HydrophobicContact SD-CD1 4.36Å; M403-L407 HydrophobicContact SD-CG 4.41Å; C404-L407 PolarHBondContact O-N 2.99Å; R405-L407 PolarHBondContact O-N 2.9Å; L407-T410 PolarHBondContact O-N 2.79Å; L407-V411 VanDerWaalsContact O-CG2 3.24Å; L407-V411 WeakPolarHBondContact O-CG2 3.21Å; L407-V411 PolarHBondContact O-N 2.75Å; L407-M478 HydrophobicContact CD1-CB 3.77Å; L407-M478 HydrophobicContact CD1-CG 3.58Å; L407-M478 WeakPolarHBondContact CD1-O 3.5Å; L407-M478 HydrophobicContact CD1-SD 4.07Å; L407-V480 HydrophobicContact CB-CB 4.15Å; L407-V480 HydrophobicContact CB-CG2 3.71Å; L407-V480 HydrophobicContact CD1-CG2 4.41Å
408C98.7Very high97.6Very high0 Ų054.5 Ų54.50%027%0.268CS..Hα-helixtrans-59.6-48.8173.8-74.30000111.7C404 R405 T410 V411 A412 M453 F454C404-C408 PolarHBondContact O-N 2.87Å; C404-C408 PolarHBondContact O-SG 2.85Å; C404-C408 VanDerWaalsContact O-SG 3.41Å; R405-C408 WeakPolarHBondContact O-CA 3.4Å; R405-C408 WeakPolarHBondContact O-CB 3.49Å; R405-C408 PolarHBondContact O-N 2.92Å; C408-T410 VanDerWaalsContact C-N 3.3Å; C408-T410 PolarHBondContact O-N 2.73Å; C408-V411 PolarHBondContact O-N 2.93Å; C408-A412 VanDerWaalsContact O-CB 3.26Å; C408-A412 WeakPolarHBondContact O-CB 3.48Å; C408-A412 PolarHBondContact O-N 3.01Å; C408-M453 HydrophobicContact CB-CB 4.35Å; C408-F454 HydrophobicContact CB-CB 4.19Å
409D98.6Very high97.5Very high59 Ų5955.3 Ų55.332%0.31628%0.276SS..Hα-helixtrans-58.3-43.3178.2-68.2-35.1000111.1R405 G413 A450R405-D409 IonicContact CZ-OD1 2.75Å; R405-D409 IonicContact NE-OD1 2.72Å; R405-D409 PolarHBondContact NE-OD1 3.16Å; R405-D409 VanDerWaalsContact NE-OD1 3.17Å; R405-D409 IonicContact NE-OD2 2.79Å; R405-D409 PolarHBondContact NE-OD2 2.9Å; R405-D409 IonicContact NH2-OD1 3.14Å; R405-D409 PolarHBondContact O-N 2.92Å; D409-G413 PolarHBondContact O-N 3.26Å; D409-A450 WeakPolarHBondContact OD1-CB 3.43Å
410T97.9Very high97.3Very high47 Ų4751.2 Ų51.229%0.28826%0.26SS..Hα-helixtrans-64.7-43.1178.2-53.70000112.1V387 R389 D406 L407 C408 S414V387-T410 HydrophobicContact CG1-CG2 4.39Å; V387-T410 HydrophobicContact CG2-CG2 3.88Å; R389-T410 PolarHBondContact NH2-OG1 3.5Å; D406-T410 WeakPolarHBondContact O-CB 3.36Å; D406-T410 PolarHBondContact O-N 3Å; D406-T410 PolarHBondContact O-OG1 2.9Å; L407-T410 PolarHBondContact O-N 2.79Å; C408-T410 VanDerWaalsContact C-N 3.3Å; C408-T410 PolarHBondContact O-N 2.73Å; T410-S414 WeakPolarHBondContact O-CB 3.38Å; T410-S414 PolarHBondContact O-N 3.14Å; T410-S414 PolarHBondContact O-OG 2.92Å
411V98.2Very high97.3Very high0 Ų055.4 Ų55.40%028%0.278CS..Hα-helixtrans-69.8-43.8179.9177.70000110.6I385 V387 L407 C408 S414 A415 M453 V480 L482I385-V411 HydrophobicContact CG2-CG1 4.07Å; V387-V411 HydrophobicContact CB-CG2 3.92Å; V387-V411 HydrophobicContact CG2-CG2 3.91Å; L407-V411 VanDerWaalsContact O-CG2 3.24Å; L407-V411 WeakPolarHBondContact O-CG2 3.21Å; L407-V411 PolarHBondContact O-N 2.75Å; C408-V411 PolarHBondContact O-N 2.93Å; V411-S414 CarbonylContact O-C 3.6Å; V411-S414 WeakPolarHBondContact O-CB 3.32Å; V411-S414 PolarHBondContact O-N 3.46Å; V411-A415 WeakPolarHBondContact O-CB 3.35Å; V411-A415 PolarHBondContact O-N 3.22Å; V411-M453 HydrophobicContact CB-CE 3.9Å; V411-M453 HydrophobicContact CG1-CE 3.66Å; V411-V480 HydrophobicContact CG2-CB 4.36Å; V411-V480 WeakPolarHBondContact CG2-O 3.41Å; V411-L482 HydrophobicContact CG1-CB 4.08Å
412A98.1Very high97.2Very high5 Ų553.8 Ų53.84%0.04127%0.269CS..Hα-helixtrans-58-52.2175.700000111C408 S414 A415 V416 N448 A450 M453C408-A412 VanDerWaalsContact O-CB 3.26Å; C408-A412 WeakPolarHBondContact O-CB 3.48Å; C408-A412 PolarHBondContact O-N 3.01Å; A412-S414 PolarHBondContact O-N 3.39Å; A412-A415 WeakPolarHBondContact O-CB 3.37Å; A412-A415 PolarHBondContact O-N 3.39Å; A412-V416 WeakPolarHBondContact O-CG2 3.27Å; A412-V416 PolarHBondContact O-N 3.21Å; A412-N448 WeakPolarHBondContact CB-O 3.5Å; A412-A450 HydrophobicContact CB-CB 3.69Å; A412-M453 HydrophobicContact CB-SD 4.2Å
413G98Very high97.2Very high32 Ų3253 Ų5333%0.3326%0.261SS..Hα-helixtrans-58.4-36.1175.700000113D409 K417D409-G413 PolarHBondContact O-N 3.26Å; G413-K417 WeakPolarHBondContact O-CB 3.44Å; G413-K417 VanDerWaalsContact O-CG 3.25Å; G413-K417 WeakPolarHBondContact O-CG 3.37Å; G413-K417 PolarHBondContact O-N 2.86Å; G413-K417 VanDerWaalsContact O-N 3.1Å
414S96.4Very high97.2Very high28 Ų2852 Ų5220%0.19626%0.257CS..Hα-helixtrans-71.3-31.5175.6-64.70000113.9I385 T410 V411 A412 R418I385-S414 WeakPolarHBondContact CD1-O 3.49Å; T410-S414 WeakPolarHBondContact O-CB 3.38Å; T410-S414 PolarHBondContact O-N 3.14Å; T410-S414 PolarHBondContact O-OG 2.92Å; V411-S414 CarbonylContact O-C 3.6Å; V411-S414 WeakPolarHBondContact O-CB 3.32Å; V411-S414 PolarHBondContact O-N 3.46Å; A412-S414 PolarHBondContact O-N 3.39Å; S414-R418 PolarHBondContact O-NH1 3.41Å
415A96.3Very high97.2Very high0 Ų052 Ų520%026%0.257CS..Hα-helixtrans-75-45.1176.300000110.8I385 V411 A412 K417 R418 N419 L420 N448 L482I385-A415 HydrophobicContact CG2-CB 4.25Å; V411-A415 WeakPolarHBondContact O-CB 3.35Å; V411-A415 PolarHBondContact O-N 3.22Å; A412-A415 WeakPolarHBondContact O-CB 3.37Å; A412-A415 PolarHBondContact O-N 3.39Å; A415-K417 PolarHBondContact O-N 2.82Å; A415-R418 CarbonylContact O-C 3.51Å; A415-R418 PolarHBondContact O-N 3.34Å; A415-R418 VanDerWaalsContact O-N 3.07Å; A415-N419 PolarHBondContact O-N 3.39Å; A415-N419 VanDerWaalsContact O-N 3.11Å; A415-L420 HydrophobicContact CB-CB 4.41Å; A415-L420 PolarHBondContact O-N 3.14Å; A415-N448 HydrophobicContact CB-CB 4.06Å; A415-L482 HydrophobicContact CB-CD2 4.17Å
416V96.7Very high97.2Very high86 Ų8648.8 Ų48.852%0.52125%0.247SC..Hα-helixtrans-57.5-48.8174.8171.70000111.2A412 R418 N419 N448A412-V416 WeakPolarHBondContact O-CG2 3.27Å; A412-V416 PolarHBondContact O-N 3.21Å; V416-R418 PolarHBondContact O-N 2.82Å; V416-N419 PolarHBondContact O-N 3.29Å; V416-N448 HydrophobicContact CG2-CB 4.42Å
417K95.6Very high97.2Very high185 Ų18545.7 Ų45.780%0.80423%0.23SC*.THydrogen-bonded Turntrans-55.8-18.9176.6-79.1176.8-178.8-177.60114.5G413 A415G413-K417 WeakPolarHBondContact O-CB 3.44Å; G413-K417 VanDerWaalsContact O-CG 3.25Å; G413-K417 WeakPolarHBondContact O-CG 3.37Å; G413-K417 PolarHBondContact O-N 2.86Å; G413-K417 VanDerWaalsContact O-N 3.1Å; A415-K417 PolarHBondContact O-N 2.82Å
418R92.8Very high97.2Very high123 Ų12348.5 Ų48.546%0.46424%0.242SC..THydrogen-bonded Turntrans-11711-177.5-64.9177.9178.787.9-2.1112.5R382 S414 A415 V416 L420R382-R418 VanDerWaalsContact NH1-NE 3.12Å; S414-R418 PolarHBondContact O-NH1 3.41Å; A415-R418 CarbonylContact O-C 3.51Å; A415-R418 PolarHBondContact O-N 3.34Å; A415-R418 VanDerWaalsContact O-N 3.07Å; V416-R418 PolarHBondContact O-N 2.82Å; R418-L420 HydrophobicContact CB-CD1 4Å; R418-L420 HydrophobicContact CB-CG 4.03Å; R418-L420 PolarHBondContact O-N 2.96Å
419N94.2Very high97.2Very high143 Ų14348.6 Ų48.677%0.76524%0.243SC*.THydrogen-bonded Turntrans52.235.8-176.5-163.732.1000113.9A415 V416A415-N419 PolarHBondContact O-N 3.39Å; A415-N419 VanDerWaalsContact O-N 3.11Å; V416-N419 PolarHBondContact O-N 3.29Å
420L95Very high97.2Very high30 Ų3048 Ų4816%0.15724%0.237CC..  trans-98.9137.7179.6-64.8173.3000110.5A415 R418 N448 F485A415-L420 HydrophobicContact CB-CB 4.41Å; A415-L420 PolarHBondContact O-N 3.14Å; R418-L420 HydrophobicContact CB-CD1 4Å; R418-L420 HydrophobicContact CB-CG 4.03Å; R418-L420 PolarHBondContact O-N 2.96Å; L420-N448 WeakPolarHBondContact O-CB 3.36Å; L420-N448 PolarHBondContact O-ND2 3Å; L420-N448 VanDerWaalsContact O-ND2 3.16Å; L420-F485 HydrophobicContact CB-CD1 4.36Å; L420-F485 HydrophobicContact CB-CE1 4.22Å; L420-F485 HydrophobicContact CB-CZ 4.46Å; L420-F485 HydrophobicContact CD1-CE1 4.49Å; L420-F485 HydrophobicContact CD1-CE2 3.95Å; L420-F485 HydrophobicContact CD1-CZ 3.91Å; L420-F485 HydrophobicContact CD2-CD2 4.19Å; L420-F485 HydrophobicContact CD2-CE2 4.4Å; L420-F485 HydrophobicContact CD2-CG 4.41Å
421K97.2Very high97.2Very high89 Ų8946.8 Ų46.839%0.38723%0.23SC..  trans-127.2135.3165.9-63-173.8175.2-174.30109.7N448 F485 Q486K421-N448 HydrophobicContact CG-CB 4.12Å; K421-F485 CarbonylContact O-C 3.58Å; K421-F485 WeakPolarHBondContact O-CA 3.23Å; K421-F485 WeakPolarHBondContact O-CD1 3.48Å; K421-Q486 PolarHBondContact O-N 3.34Å
422G97.2Very high97.1Very high0 Ų047.8 Ų47.80%024%0.235CC..EExtended strand (participates in β ladder)trans-128.7163.7-17900000112.1Y446 T447 S484G422-Y446 WeakPolarHBondContact O-CA 3.25Å; G422-T447 PolarHBondContact N-O 3.38Å; G422-T447 PolarHBondContact O-N 3.37Å; G422-T447 VanDerWaalsContact O-O 3.06Å; G422-S484 WeakPolarHBondContact CA-O 3.44Å
423R97.1Very high97Very high107 Ų10749.2 Ų49.240%0.40425%0.247SC..EExtended strand (participates in β ladder)trans-112.6-14179.662.8174.1-173.9-168.20.1113.9T442 A443 Y445 Y446 S483 S484R423-T442 HydrophobicContact CG-CG2 3.92Å; R423-T442 CarbonylContact O-C 3.47Å; R423-T442 WeakPolarHBondContact O-CA 3.44Å; R423-A443 PolarHBondContact O-N 3.2Å; R423-Y445 WeakPolarHBondContact CB-O 3.31Å; R423-Y446 HydrophobicContact CB-CD1 4.07Å; R423-Y446 HydrophobicContact CB-CE1 4.23Å; R423-Y446 HydrophobicContact CG-CD1 4.39Å; R423-Y446 HydrophobicContact CG-CE1 4.08Å; R423-S483 PolarHBondContact N-O 3.44Å; R423-S484 PolarHBondContact N-O 2.95Å
424T98.5Very high96.9Very high11 Ų1149.2 Ų49.27%0.06724%0.238CC..EExtended strand (participates in β ladder)trans-107.9115.1-176.9-54.50000109.9A440 Y441 T442 L482 S483 S484T424-A440 HydrophobicContact CG2-CB 4.28Å; T424-Y441 WeakPolarHBondContact CA-O 3.46Å; T424-T442 WeakPolarHBondContact OG1-CG2 3.37Å; T424-T442 PolarHBondContact OG1-OG1 3.45Å; T424-L482 CarbonylContact O-C 3.58Å; T424-L482 WeakPolarHBondContact O-CA 3.42Å; T424-S483 WeakPolarHBondContact CB-OG 3.34Å; T424-S483 PolarHBondContact N-O 3Å; T424-S483 PolarHBondContact O-N 3.4Å; T424-S484 WeakPolarHBondContact OG1-CB 3.27Å; T424-S484 PolarHBondContact OG1-OG 3.23Å
425V98.5Very high96.9Very high0 Ų050.3 Ų50.30%024%0.242CC..EExtended strand (participates in β ladder)trans-100.5126.9172.4-179.50000108.4A440 Y441 M453 I456 A457 V480 R481 L482V425-A440 CarbonylContact O-C 3.59Å; V425-A440 VanDerWaalsContact O-CA 3.28Å; V425-A440 WeakPolarHBondContact O-CA 3.48Å; V425-Y441 PolarHBondContact N-O 2.88Å; V425-Y441 PolarHBondContact O-N 3.4Å; V425-M453 HydrophobicContact CG2-CG 4.16Å; V425-I456 HydrophobicContact CB-CB 4.34Å; V425-I456 HydrophobicContact CB-CG2 3.81Å; V425-I456 HydrophobicContact CG1-CG2 4.25Å; V425-I456 HydrophobicContact CG2-CB 4.42Å; V425-I456 HydrophobicContact CG2-CD1 4.04Å; V425-I456 HydrophobicContact CG2-CG2 4.33Å; V425-A457 HydrophobicContact CG1-CB 4.19Å; V425-V480 HydrophobicContact CG1-CG1 4.16Å; V425-R481 CarbonylContact C-O 3.53Å; V425-R481 WeakPolarHBondContact CA-O 3.36Å; V425-L482 HydrophobicContact CG2-CD1 4.13Å
426T98.7Very high96.9Very high15 Ų1554 Ų549%0.09226%0.264CS..EExtended strand (participates in β ladder)trans-120.2127.5-179.7-57.70000109.6T438 R439 A440 V480 R481T426-T438 HydrophobicContact CG2-CG2 3.24Å; T426-R439 CarbonylContact C-O 3.4Å; T426-R439 VanDerWaalsContact CA-O 3.31Å; T426-R439 WeakPolarHBondContact CA-O 3.45Å; T426-R439 WeakPolarHBondContact CG2-O 3.06Å; T426-A440 HydrophobicContact CG2-CB 4.22Å; T426-A440 WeakPolarHBondContact OG1-CB 3.49Å; T426-V480 CarbonylContact O-C 3.53Å; T426-V480 WeakPolarHBondContact O-CA 3.32Å; T426-R481 PolarHBondContact N-O 3.24Å; T426-R481 PolarHBondContact O-N 3.1Å
427V98.7Very high96.9Very high0 Ų051.8 Ų51.80%025%0.248CC..EExtended strand (participates in β ladder)trans-102.7127.9171.4-1770000108.9L429 T438 R439 A457 I460 G479V427-L429 HydrophobicContact CG1-CD2 3.52Å; V427-L429 HydrophobicContact CG1-CG 4.01Å; V427-T438 WeakPolarHBondContact O-CA 3.3Å; V427-R439 PolarHBondContact N-O 3.21Å; V427-R439 PolarHBondContact O-N 2.93Å; V427-A457 HydrophobicContact CG2-CB 3.71Å; V427-I460 HydrophobicContact CB-CG2 3.84Å; V427-I460 HydrophobicContact CG2-CB 4.12Å; V427-I460 HydrophobicContact CG2-CD1 4.19Å; V427-I460 HydrophobicContact CG2-CG2 3.92Å; V427-G479 CarbonylContact C-O 3.56Å; V427-G479 WeakPolarHBondContact CA-O 3.47Å
428K98.8Very high97Very high58 Ų5846.5 Ų46.525%0.25223%0.232SC..EExtended strand (participates in β ladder)trans-111.2125174.6179.8-176.7176.2-173.50108.6E388 V436 M437 L477 M478 G479E388-K428 VanDerWaalsContact CD-NZ 3.31Å; E388-K428 IonicContact OE1-NZ 2.69Å; E388-K428 PolarHBondContact OE1-NZ 2.88Å; E388-K428 VanDerWaalsContact OE1-NZ 3.12Å; E388-K428 WeakPolarHBondContact OE2-CD 3.23Å; E388-K428 WeakPolarHBondContact OE2-CE 3.2Å; E388-K428 IonicContact OE2-NZ 3.42Å; E388-K428 PolarHBondContact OE2-NZ 2.8Å; K428-V436 HydrophobicContact CG-CG1 4.19Å; K428-M437 WeakPolarHBondContact CA-O 3.48Å; K428-L477 HydrophobicContact CD-CD2 4.43Å; K428-L477 HydrophobicContact CG-CD2 4.37Å; K428-M478 CarbonylContact O-C 3.6Å; K428-M478 WeakPolarHBondContact O-CA 3.48Å; K428-G479 PolarHBondContact N-O 3.49Å; K428-G479 PolarHBondContact O-N 3.45Å
429L98.5Very high97.3Very high2 Ų245.6 Ų45.61%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-120.7140.1178.1-45.4172.5000108.8V427 V436 M437 L461 E464 L473 L475 M478V427-L429 HydrophobicContact CG1-CD2 3.52Å; V427-L429 HydrophobicContact CG1-CG 4.01Å; L429-V436 WeakPolarHBondContact O-CA 3.44Å; L429-M437 HydrophobicContact CB-CG 3.59Å; L429-M437 HydrophobicContact CB-SD 4.1Å; L429-M437 HydrophobicContact CD1-CG 4.13Å; L429-M437 HydrophobicContact CD1-SD 3.87Å; L429-M437 HydrophobicContact CG-CG 4.18Å; L429-M437 PolarHBondContact N-O 3.13Å; L429-M437 PolarHBondContact O-N 3.4Å; L429-L461 HydrophobicContact CD1-CD1 4.11Å; L429-L461 HydrophobicContact CD2-CD1 4.07Å; L429-E464 HydrophobicContact CD1-CB 4.11Å; L429-E464 HydrophobicContact CD1-CG 4.04Å; L429-L473 HydrophobicContact CD1-CD2 4.22Å; L429-L475 HydrophobicContact CB-CD1 4.06Å; L429-L475 HydrophobicContact CB-CD2 4.01Å; L429-L475 HydrophobicContact CD1-CD1 4.39Å; L429-L475 HydrophobicContact CD2-CD1 3.7Å; L429-L475 HydrophobicContact CG-CD1 4.27Å; L429-M478 HydrophobicContact CD2-CB 4.44Å; L429-M478 HydrophobicContact CD2-CE 4Å; L429-M478 HydrophobicContact CD2-CG 3.83Å
430K98.5Very high97.4Very high47 Ų4741.8 Ų41.820%0.20422%0.217CC..EExtended strand (participates in β ladder)trans-121.9124.1169.6-164.7179.2-74.3170.70109.2F434 D435 V436 L475 R476 L477K430-F434 HydrophobicContact CD-CD1 4.19Å; K430-D435 CarbonylContact C-O 3.5Å; K430-D435 VanDerWaalsContact CA-O 3.31Å; K430-D435 WeakPolarHBondContact CA-O 3.39Å; K430-V436 HydrophobicContact CB-CG2 4.48Å; K430-V436 HydrophobicContact CD-CG2 4.3Å; K430-V436 HydrophobicContact CG-CG2 3.98Å; K430-L475 WeakPolarHBondContact O-CA 3.5Å; K430-R476 HydrophobicContact CB-CG 4.27Å; K430-R476 HydrophobicContact CD-CG 4.29Å; K430-R476 HydrophobicContact CG-CG 4.2Å; K430-R476 PolarHBondContact O-N 3.47Å; K430-L477 HydrophobicContact CB-CB 3.76Å; K430-L477 HydrophobicContact CB-CD2 4.26Å; K430-L477 HydrophobicContact CB-CG 4.45Å; K430-L477 PolarHBondContact N-O 3.45Å; K430-L477 PolarHBondContact O-N 3.22Å
431T97.9Very high97.6Very high22 Ų2246.2 Ų46.214%0.13523%0.232CC..EExtended strand (participates in β ladder)trans-71.7164.6177.173.60000110.7A433 F434 D435 M437 R474 R476T431-A433 PolarHBondContact O-N 3.01Å; T431-A433 VanDerWaalsContact O-N 3.16Å; T431-A433 PolarHBondContact OG1-N 3.01Å; T431-F434 WeakPolarHBondContact O-CA 3.38Å; T431-F434 PolarHBondContact O-N 3.49Å; T431-D435 HydrophobicContact CG2-CB 4.32Å; T431-D435 PolarHBondContact N-O 3.13Å; T431-D435 PolarHBondContact OG1-N 2.96Å; T431-M437 HydrophobicContact CG2-CE 3.69Å; T431-R474 WeakPolarHBondContact CA-O 3.16Å; T431-R476 VanDerWaalsContact O-CD 3.29Å; T431-R476 WeakPolarHBondContact O-CD 3.41Å; T431-R476 VanDerWaalsContact O-CG 3.27Å; T431-R476 WeakPolarHBondContact O-CG 3.4Å
432I97Very high97.6Very high21 Ų2145.5 Ų45.511%0.10824%0.235CC..THydrogen-bonded Turntrans-58.4-22.5170.653.4159.5000114.2R30 E393 F434 R474R30-I432 VanDerWaalsContact CD-O 3.29Å; R30-I432 WeakPolarHBondContact CD-O 3.21Å; E393-I432 HydrophobicContact CB-CG2 4.05Å; E393-I432 HydrophobicContact CG-CG2 3.7Å; I432-F434 PolarHBondContact O-N 3.11Å; I432-R474 HydrophobicContact CD1-CB 3.99Å; I432-R474 VanDerWaalsContact CD1-NE 3.35Å; I432-R474 HydrophobicContact CG1-CB 3.91Å; I432-R474 HydrophobicContact CG2-CB 4.21Å; I432-R474 PolarHBondContact N-O 3.16Å; I432-R474 VanDerWaalsContact N-O 3.08Å
433A95.4Very high97.6Very high35 Ų3545.8 Ų45.829%0.28924%0.237SC..THydrogen-bonded Turntrans-85.610.2173.200000112.5H34 T431 D435H34-A433 WeakPolarHBondContact CB-O 3.31Å; H34-A433 PolarHBondContact CD2-O 3.49Å; T431-A433 PolarHBondContact O-N 3.01Å; T431-A433 VanDerWaalsContact O-N 3.16Å; T431-A433 PolarHBondContact OG1-N 3.01Å; A433-D435 PolarHBondContact O-N 3.35Å
434F96.1Very high97.5Very high31 Ų3151.8 Ų51.814%0.13626%0.26CS..  trans67.71.8179.9-65.7-98.9000116.4R30 F31 H34 K430 T431 I432 V436R30-F434 HydrophobicContact CB-CD2 4.28Å; R30-F434 HydrophobicContact CB-CE2 4.14Å; F31-F434 VanDerWaalsContact CA-CE2 3.48Å; F31-F434 HydrophobicContact CB-CD2 4.06Å; F31-F434 HydrophobicContact CB-CE1 4.27Å; F31-F434 HydrophobicContact CB-CE2 3.49Å; F31-F434 VanDerWaalsContact CB-CE2 3.49Å; F31-F434 HydrophobicContact CB-CZ 3.56Å; F31-F434 AromaticContact CD2-CD1 3.54Å; F31-F434 HydrophobicContact CD2-CD1 3.54Å; F31-F434 HydrophobicContact CD2-CD2 4.13Å; F31-F434 AromaticContact CD2-CE1 3.41Å; F31-F434 HydrophobicContact CD2-CE1 3.41Å; F31-F434 VanDerWaalsContact CD2-CE1 3.41Å; F31-F434 HydrophobicContact CD2-CE2 4.04Å; F31-F434 AromaticContact CD2-CG 3.87Å; F31-F434 HydrophobicContact CD2-CG 3.87Å; F31-F434 AromaticContact CD2-CZ 3.63Å; F31-F434 HydrophobicContact CD2-CZ 3.63Å; F31-F434 HydrophobicContact CE2-CD1 4.13Å; F31-F434 HydrophobicContact CE2-CE1 4.13Å; F31-F434 HydrophobicContact CG-CE1 4.21Å; F31-F434 HydrophobicContact CG-CE2 4.26Å; F31-F434 AromaticContact CG-CZ 3.99Å; F31-F434 HydrophobicContact CG-CZ 3.99Å; H34-F434 HydrophobicContact CB-CB 3.87Å; H34-F434 PolarHBondContact NE2-O 3.01Å; K430-F434 HydrophobicContact CD-CD1 4.19Å; T431-F434 WeakPolarHBondContact O-CA 3.38Å; T431-F434 PolarHBondContact O-N 3.49Å; I432-F434 PolarHBondContact O-N 3.11Å; F434-V436 PolarHBondContact O-N 3.45Å
435D95.8Very high97.4Very high52 Ų5256.6 Ų56.628%0.27828%0.278SS..  trans-61.6130.3172-59.6-60.6000110.1H34 K430 T431 A433H34-D435 IonicContact CD2-OD1 2.68Å; K430-D435 CarbonylContact C-O 3.5Å; K430-D435 VanDerWaalsContact CA-O 3.31Å; K430-D435 WeakPolarHBondContact CA-O 3.39Å; T431-D435 HydrophobicContact CG2-CB 4.32Å; T431-D435 PolarHBondContact N-O 3.13Å; T431-D435 PolarHBondContact OG1-N 2.96Å; A433-D435 PolarHBondContact O-N 3.35Å
436V96.9Very high97.4Very high78 Ų7860.3 Ų60.347%0.47329%0.292SS..EExtended strand (participates in β ladder)trans-101.7131.9179.6178.60000109.4K428 L429 K430 F434K428-V436 HydrophobicContact CG-CG1 4.19Å; L429-V436 WeakPolarHBondContact O-CA 3.44Å; K430-V436 HydrophobicContact CB-CG2 4.48Å; K430-V436 HydrophobicContact CD-CG2 4.3Å; K430-V436 HydrophobicContact CG-CG2 3.98Å; F434-V436 PolarHBondContact O-N 3.45Å
437M96.4Very high97.3Very high38 Ų3859.8 Ų59.819%0.18729%0.289CS..EExtended strand (participates in β ladder)trans-125139.3169.561.1-17273.300109.6K428 L429 T431 E464K428-M437 WeakPolarHBondContact CA-O 3.48Å; L429-M437 HydrophobicContact CB-CG 3.59Å; L429-M437 HydrophobicContact CB-SD 4.1Å; L429-M437 HydrophobicContact CD1-CG 4.13Å; L429-M437 HydrophobicContact CD1-SD 3.87Å; L429-M437 HydrophobicContact CG-CG 4.18Å; L429-M437 PolarHBondContact N-O 3.13Å; L429-M437 PolarHBondContact O-N 3.4Å; T431-M437 HydrophobicContact CG2-CE 3.69Å; M437-E464 HydrophobicContact SD-CG 4.46Å
438T98.1Very high97.2Very high74 Ų7461.1 Ų61.145%0.45430%0.296SS..EExtended strand (participates in β ladder)trans-126.9134.7177.6-54.80000108.2T426 V427T426-T438 HydrophobicContact CG2-CG2 3.24Å; V427-T438 WeakPolarHBondContact O-CA 3.3Å
439R97.9Very high97.1Very high105 Ų10561.7 Ų61.740%0.39630%0.302SS..EExtended strand (participates in β ladder)trans-134.4141177.9-63.8-63.4-179-91.3-12.6108.5T426 V427 I460 E464T426-R439 CarbonylContact C-O 3.4Å; T426-R439 VanDerWaalsContact CA-O 3.31Å; T426-R439 WeakPolarHBondContact CA-O 3.45Å; T426-R439 WeakPolarHBondContact CG2-O 3.06Å; V427-R439 PolarHBondContact N-O 3.21Å; V427-R439 PolarHBondContact O-N 2.93Å; R439-I460 HydrophobicContact CB-CG2 3.34Å; R439-I460 HydrophobicContact CG-CG2 4.08Å; R439-E464 WeakPolarHBondContact CD-OE1 3.39Å; R439-E464 HydrophobicContact CG-CG 4.23Å; R439-E464 WeakPolarHBondContact CG-OE1 3.49Å; R439-E464 IonicContact CZ-OE1 3.16Å; R439-E464 IonicContact CZ-OE2 3.46Å; R439-E464 IonicContact NE-OE1 3.7Å; R439-E464 PolarHBondContact NE-OE1 2.8Å; R439-E464 IonicContact NE-OE2 2.74Å; R439-E464 IonicContact NH2-OE1 3.53Å; R439-E464 PolarHBondContact NH2-OE1 3.08Å; R439-E464 IonicContact NH2-OE2 2.88Å; R439-E464 PolarHBondContact NH2-OE2 3Å
440A97.5Very high97.1Very high63 Ų6362.3 Ų62.352%0.52131%0.307SS..EExtended strand (participates in β ladder)trans-137.1152.1-177.700000111T424 V425 T426T424-A440 HydrophobicContact CG2-CB 4.28Å; V425-A440 CarbonylContact O-C 3.59Å; V425-A440 VanDerWaalsContact O-CA 3.28Å; V425-A440 WeakPolarHBondContact O-CA 3.48Å; T426-A440 HydrophobicContact CG2-CB 4.22Å; T426-A440 WeakPolarHBondContact OG1-CB 3.49Å
441Y98.2Very high97.1Very high123 Ų12364.3 Ų64.348%0.48232%0.32SS..EExtended strand (participates in β ladder)trans-135.2134.1170.4178.3-94.8000109.5T424 V425 A443 I456T424-Y441 WeakPolarHBondContact CA-O 3.46Å; V425-Y441 PolarHBondContact N-O 2.88Å; V425-Y441 PolarHBondContact O-N 3.4Å; Y441-A443 HydrophobicContact CE1-CB 4.22Å; Y441-I456 HydrophobicContact CD1-CD1 4.12Å; Y441-I456 HydrophobicContact CD1-CG1 4.12Å; Y441-I456 HydrophobicContact CD1-CG2 3.65Å; Y441-I456 HydrophobicContact CE1-CD1 4.44Å; Y441-I456 HydrophobicContact CE1-CG1 4.45Å; Y441-I456 HydrophobicContact CG-CG2 4Å
442T98.2Very high97.1Very high74 Ų7466.9 Ų66.945%0.45433%0.331SS..EExtended strand (participates in β ladder)trans-106.6109.2178.7-54.40000109.3R423 T424R423-T442 HydrophobicContact CG-CG2 3.92Å; R423-T442 CarbonylContact O-C 3.47Å; R423-T442 WeakPolarHBondContact O-CA 3.44Å; T424-T442 WeakPolarHBondContact OG1-CG2 3.37Å; T424-T442 PolarHBondContact OG1-OG1 3.45Å
443A96.2Very high97.2Very high5 Ų565.9 Ų65.94%0.04133%0.326CS..EExtended strand (participates in β ladder)trans-70.8161.5174.500000111.8R423 Y441 Y445 I456R423-A443 PolarHBondContact O-N 3.2Å; Y441-A443 HydrophobicContact CE1-CB 4.22Å; A443-Y445 VanDerWaalsContact C-N 3.3Å; A443-Y445 HydrophobicContact CB-CD1 4.25Å; A443-Y445 HydrophobicContact CB-CE1 4.08Å; A443-Y445 HydrophobicContact CB-CE2 4.49Å; A443-I456 HydrophobicContact CB-CD1 4.2Å
444R96.3Very high97.3Very high234 Ų23466.4 Ų66.488%0.88332%0.322SS*.EExtended strand (participates in β ladder)trans-80.9-11.9175.6-66.4-176.3178.4179.2-1.1113.3
445Y96.4Very high97.5Very high112 Ų11267.6 Ų67.644%0.43934%0.337SS..EExtended strand (participates in β ladder)trans-121.2157.6-178.555.6-89000110R423 A443 T447 E452R423-Y445 WeakPolarHBondContact CB-O 3.31Å; A443-Y445 VanDerWaalsContact C-N 3.3Å; A443-Y445 HydrophobicContact CB-CD1 4.25Å; A443-Y445 HydrophobicContact CB-CE1 4.08Å; A443-Y445 HydrophobicContact CB-CE2 4.49Å; Y445-T447 HydrophobicContact CE2-CG2 4.43Å; Y445-E452 WeakPolarHBondContact CE2-OE2 3.25Å
446Y97.7Very high97.6Very high78 Ų7866 Ų6631%0.30633%0.328SS..EExtended strand (participates in β ladder)trans-88.8134.4172.1-65.7-81.8000109.3G422 R423 S484 Q486G422-Y446 WeakPolarHBondContact O-CA 3.25Å; R423-Y446 HydrophobicContact CB-CD1 4.07Å; R423-Y446 HydrophobicContact CB-CE1 4.23Å; R423-Y446 HydrophobicContact CG-CD1 4.39Å; R423-Y446 HydrophobicContact CG-CE1 4.08Å; Y446-S484 WeakPolarHBondContact CE1-O 3.48Å; Y446-Q486 HydrophobicContact CD1-CB 3.84Å; Y446-Q486 HydrophobicContact CD2-CB 4.24Å; Y446-Q486 HydrophobicContact CD2-CG 4.21Å; Y446-Q486 VanDerWaalsContact CE1-CA 3.41Å; Y446-Q486 HydrophobicContact CE1-CB 3.96Å; Y446-Q486 VanDerWaalsContact CE1-N 3.3Å; Y446-Q486 HydrophobicContact CE2-CB 4.33Å; Y446-Q486 HydrophobicContact CE2-CG 4.19Å; Y446-Q486 HydrophobicContact CG-CB 3.99Å; Y446-Q486 HydrophobicContact CG-CG 4.45Å
447T96.7Very high97.6Very high3 Ų362.3 Ų62.32%0.01831%0.306CS..EExtended strand (participates in β ladder)trans-134.8152179-174.20000111.2G422 Y445 D449 E452 M453 L482G422-T447 PolarHBondContact N-O 3.38Å; G422-T447 PolarHBondContact O-N 3.37Å; G422-T447 VanDerWaalsContact O-O 3.06Å; Y445-T447 HydrophobicContact CE2-CG2 4.43Å; T447-D449 PolarHBondContact OG1-N 3.39Å; T447-E452 WeakPolarHBondContact CB-OE2 3.49Å; T447-E452 PolarHBondContact OG1-OE2 3.34Å; T447-M453 HydrophobicContact CG2-CG 4.19Å; T447-L482 WeakPolarHBondContact O-CD2 3.37Å
448N96.2Very high97.7Very high29 Ų2961.1 Ų61.116%0.15530%0.302CS..  trans-136.116160.161-5.7000110.6A412 A415 V416 L420 K421A412-N448 WeakPolarHBondContact CB-O 3.5Å; A415-N448 HydrophobicContact CB-CB 4.06Å; V416-N448 HydrophobicContact CG2-CB 4.42Å; L420-N448 WeakPolarHBondContact O-CB 3.36Å; L420-N448 PolarHBondContact O-ND2 3Å; L420-N448 VanDerWaalsContact O-ND2 3.16Å; K421-N448 HydrophobicContact CG-CB 4.12Å
449D97.9Very high97.7Very high69 Ų6962.4 Ų62.437%0.36930%0.302SS..  trans-82.4136.3179.5178.6-96.2000110.1T447 D451 E452 M453T447-D449 PolarHBondContact OG1-N 3.39Å; D449-D451 WeakPolarHBondContact OD1-CA 3.31Å; D449-D451 WeakPolarHBondContact OD1-CB 3.4Å; D449-D451 PolarHBondContact OD1-N 2.74Å; D449-E452 HydrophobicContact CB-CB 4.21Å; D449-E452 HydrophobicContact CB-CG 4.13Å; D449-E452 PolarHBondContact OD1-N 2.92Å; D449-M453 WeakPolarHBondContact O-CB 3.48Å; D449-M453 WeakPolarHBondContact O-CG 3.26Å; D449-M453 PolarHBondContact O-N 2.78Å; D449-M453 VanDerWaalsContact O-N 3.08Å
450A98.2Very high97.8Very high15 Ų1558.4 Ų58.412%0.12429%0.288CS..Hα-helixtrans-70.8-35.7-173.900000112.6D409 A412 M453 F454D409-A450 WeakPolarHBondContact OD1-CB 3.43Å; A412-A450 HydrophobicContact CB-CB 3.69Å; A450-M453 PolarHBondContact O-N 3.34Å; A450-F454 VanDerWaalsContact O-CB 3.23Å; A450-F454 WeakPolarHBondContact O-CB 3.37Å; A450-F454 PolarHBondContact O-N 2.95Å
451D98.4Very high97.8Very high89 Ų8955.4 Ų55.448%0.47626%0.264SS..Hα-helixtrans-71.8-42.7-179.6-67.3-44000110.8R405 D449 M453 F454 A455R405-D451 IonicContact CZ-OD1 3.58Å; R405-D451 IonicContact NH1-OD1 2.88Å; R405-D451 PolarHBondContact NH1-OD1 3.21Å; R405-D451 IonicContact NH2-OD1 3.52Å; R405-D451 PolarHBondContact NH2-OD1 3.14Å; D449-D451 WeakPolarHBondContact OD1-CA 3.31Å; D449-D451 WeakPolarHBondContact OD1-CB 3.4Å; D449-D451 PolarHBondContact OD1-N 2.74Å; D451-M453 VanDerWaalsContact C-N 3.35Å; D451-M453 PolarHBondContact O-N 3.2Å; D451-F454 PolarHBondContact O-N 3.27Å; D451-A455 WeakPolarHBondContact O-CB 3.43Å; D451-A455 PolarHBondContact O-N 3.43Å
452E98Very high97.8Very high77 Ų7750.3 Ų50.336%0.3625%0.245SC..Hα-helixtrans-62.3-42.3174.1-68-17516200111.8Y445 T447 D449 I456Y445-E452 WeakPolarHBondContact CE2-OE2 3.25Å; T447-E452 WeakPolarHBondContact CB-OE2 3.49Å; T447-E452 PolarHBondContact OG1-OE2 3.34Å; D449-E452 HydrophobicContact CB-CB 4.21Å; D449-E452 HydrophobicContact CB-CG 4.13Å; D449-E452 PolarHBondContact OD1-N 2.92Å; E452-I456 WeakPolarHBondContact O-CG1 3.25Å; E452-I456 PolarHBondContact O-N 3.18Å
453M98.3Very high97.8Very high0 Ų049.7 Ų49.70%024%0.241CC..Hα-helixtrans-64.1-42.9174.9-74.7-178.556.800111.8C408 V411 A412 V425 T447 D449 A450 D451 I456 A457 V480 L482C408-M453 HydrophobicContact CB-CB 4.35Å; V411-M453 HydrophobicContact CB-CE 3.9Å; V411-M453 HydrophobicContact CG1-CE 3.66Å; A412-M453 HydrophobicContact CB-SD 4.2Å; V425-M453 HydrophobicContact CG2-CG 4.16Å; T447-M453 HydrophobicContact CG2-CG 4.19Å; D449-M453 WeakPolarHBondContact O-CB 3.48Å; D449-M453 WeakPolarHBondContact O-CG 3.26Å; D449-M453 PolarHBondContact O-N 2.78Å; D449-M453 VanDerWaalsContact O-N 3.08Å; A450-M453 PolarHBondContact O-N 3.34Å; D451-M453 VanDerWaalsContact C-N 3.35Å; D451-M453 PolarHBondContact O-N 3.2Å; M453-I456 PolarHBondContact O-N 2.78Å; M453-A457 VanDerWaalsContact O-CB 3.31Å; M453-A457 WeakPolarHBondContact O-CB 3.43Å; M453-A457 PolarHBondContact O-N 2.9Å; M453-V480 HydrophobicContact CE-CG1 3.99Å; M453-L482 HydrophobicContact CE-CB 4.23Å; M453-L482 HydrophobicContact SD-CD1 4.4Å; M453-L482 HydrophobicContact SD-CD2 4.23Å
454F98.7Very high97.8Very high46 Ų4650.6 Ų50.620%0.20225%0.245CC..Hα-helixtrans-66.2-39178.5179.8-109.6000112.5L401 C404 R405 C408 A450 D451 I456 A457 S458L401-F454 WeakPolarHBondContact O-CE2 3.18Å; C404-F454 HydrophobicContact CB-CE2 4.16Å; R405-F454 HydrophobicContact CB-CD2 3.84Å; R405-F454 HydrophobicContact CB-CE2 3.63Å; R405-F454 HydrophobicContact CB-CZ 4.18Å; C408-F454 HydrophobicContact CB-CB 4.19Å; A450-F454 VanDerWaalsContact O-CB 3.23Å; A450-F454 WeakPolarHBondContact O-CB 3.37Å; A450-F454 PolarHBondContact O-N 2.95Å; D451-F454 PolarHBondContact O-N 3.27Å; F454-I456 VanDerWaalsContact C-N 3.27Å; F454-I456 PolarHBondContact O-N 3.47Å; F454-A457 PolarHBondContact O-N 2.86Å; F454-S458 WeakPolarHBondContact O-CB 3.33Å; F454-S458 PolarHBondContact O-N 3.43Å; F454-S458 PolarHBondContact O-OG 3.21Å
455A98.4Very high97.9Very high56 Ų5641.1 Ų41.146%0.46321%0.211SC..Hα-helixtrans-57-42.9174.300000111.5D451 S458 E459D451-A455 WeakPolarHBondContact O-CB 3.43Å; D451-A455 PolarHBondContact O-N 3.43Å; A455-S458 PolarHBondContact O-OG 2.71Å; A455-E459 PolarHBondContact O-N 2.8Å
456I98.2Very high97.9Very high18 Ų1842.3 Ų42.39%0.09222%0.215CC..Hα-helixtrans-70.5-49.2176.7-63.4167000111.3V425 Y441 A443 E452 M453 F454 S458 E459 I460V425-I456 HydrophobicContact CB-CB 4.34Å; V425-I456 HydrophobicContact CB-CG2 3.81Å; V425-I456 HydrophobicContact CG1-CG2 4.25Å; V425-I456 HydrophobicContact CG2-CB 4.42Å; V425-I456 HydrophobicContact CG2-CD1 4.04Å; V425-I456 HydrophobicContact CG2-CG2 4.33Å; Y441-I456 HydrophobicContact CD1-CD1 4.12Å; Y441-I456 HydrophobicContact CD1-CG1 4.12Å; Y441-I456 HydrophobicContact CD1-CG2 3.65Å; Y441-I456 HydrophobicContact CE1-CD1 4.44Å; Y441-I456 HydrophobicContact CE1-CG1 4.45Å; Y441-I456 HydrophobicContact CG-CG2 4Å; A443-I456 HydrophobicContact CB-CD1 4.2Å; E452-I456 WeakPolarHBondContact O-CG1 3.25Å; E452-I456 PolarHBondContact O-N 3.18Å; M453-I456 PolarHBondContact O-N 2.78Å; F454-I456 VanDerWaalsContact C-N 3.27Å; F454-I456 PolarHBondContact O-N 3.47Å; I456-S458 PolarHBondContact O-N 3.43Å; I456-E459 PolarHBondContact O-N 3.5Å; I456-I460 HydrophobicContact CG2-CD1 4.09Å; I456-I460 WeakPolarHBondContact O-CG1 3.47Å; I456-I460 PolarHBondContact O-N 2.88Å
457A98.5Very high97.8Very high0 Ų042.2 Ų42.20%023%0.23CC..Hα-helixtrans-67-38-174.400000112.6V425 V427 M453 F454 I460 L461V425-A457 HydrophobicContact CG1-CB 4.19Å; V427-A457 HydrophobicContact CG2-CB 3.71Å; M453-A457 VanDerWaalsContact O-CB 3.31Å; M453-A457 WeakPolarHBondContact O-CB 3.43Å; M453-A457 PolarHBondContact O-N 2.9Å; F454-A457 PolarHBondContact O-N 2.86Å; A457-I460 PolarHBondContact O-N 3.31Å; A457-L461 WeakPolarHBondContact O-CB 3.48Å; A457-L461 PolarHBondContact O-N 3.17Å
458S98.3Very high97.8Very high14 Ų1444.9 Ų44.910%0.09825%0.246CC..Hα-helixtrans-66.2-41.1176.961.20000111.9F454 A455 I456 I460 L461 L462F454-S458 WeakPolarHBondContact O-CB 3.33Å; F454-S458 PolarHBondContact O-N 3.43Å; F454-S458 PolarHBondContact O-OG 3.21Å; A455-S458 PolarHBondContact O-OG 2.71Å; I456-S458 PolarHBondContact O-N 3.43Å; S458-I460 PolarHBondContact O-N 2.91Å; S458-L461 PolarHBondContact O-N 2.76Å; S458-L462 WeakPolarHBondContact O-CB 3.49Å; S458-L462 VanDerWaalsContact O-CG 3.24Å; S458-L462 WeakPolarHBondContact O-CG 3.46Å; S458-L462 PolarHBondContact O-N 3.34Å
459E98.4Very high97.6Very high100 Ų10047.6 Ų47.647%0.46727%0.267SS..Hα-helixtrans-64.3-39.5175.1-79.4-54.5132.200112.9A455 I456 T463 R466A455-E459 PolarHBondContact O-N 2.8Å; I456-E459 PolarHBondContact O-N 3.5Å; E459-T463 WeakPolarHBondContact O-CB 3.47Å; E459-T463 PolarHBondContact O-N 3.34Å; E459-T463 PolarHBondContact O-OG1 3.33Å; E459-R466 IonicContact OE2-NH2 2.74Å
460I98.1Very high97.5Very high21 Ų2150.4 Ų50.411%0.10829%0.289CS..Hα-helixtrans-58.9-50171.4-70.5171000110V427 R439 I456 A457 S458 T463 E464V427-I460 HydrophobicContact CB-CG2 3.84Å; V427-I460 HydrophobicContact CG2-CB 4.12Å; V427-I460 HydrophobicContact CG2-CD1 4.19Å; V427-I460 HydrophobicContact CG2-CG2 3.92Å; R439-I460 HydrophobicContact CB-CG2 3.34Å; R439-I460 HydrophobicContact CG-CG2 4.08Å; I456-I460 HydrophobicContact CG2-CD1 4.09Å; I456-I460 WeakPolarHBondContact O-CG1 3.47Å; I456-I460 PolarHBondContact O-N 2.88Å; A457-I460 PolarHBondContact O-N 3.31Å; S458-I460 PolarHBondContact O-N 2.91Å; I460-T463 WeakPolarHBondContact O-CB 3.36Å; I460-T463 PolarHBondContact O-N 3.03Å; I460-E464 PolarHBondContact O-N 2.84Å
461L98.2Very high97.3Very high0 Ų057.5 Ų57.50%032%0.317CS..Hα-helixtrans-63.9-44.9-178.617859.5000112.4L400 L401 C404 L429 A457 S458 T463 E464 I465 L473 M478L400-L461 HydrophobicContact CB-CD2 4.18Å; L400-L461 WeakPolarHBondContact O-CD2 3.45Å; L401-L461 HydrophobicContact CD2-CD2 4.23Å; C404-L461 HydrophobicContact CB-CD2 3.8Å; L429-L461 HydrophobicContact CD1-CD1 4.11Å; L429-L461 HydrophobicContact CD2-CD1 4.07Å; A457-L461 WeakPolarHBondContact O-CB 3.48Å; A457-L461 PolarHBondContact O-N 3.17Å; S458-L461 PolarHBondContact O-N 2.76Å; L461-T463 PolarHBondContact O-N 3.2Å; L461-E464 PolarHBondContact O-N 3.47Å; L461-E464 VanDerWaalsContact O-N 3.14Å; L461-I465 HydrophobicContact CD1-CD1 4.42Å; L461-I465 HydrophobicContact CG-CD1 4.1Å; L461-I465 WeakPolarHBondContact O-CG1 3.36Å; L461-I465 PolarHBondContact O-N 3.42Å; L461-L473 HydrophobicContact CD1-CD2 4.3Å; L461-M478 HydrophobicContact CD1-CE 3.88Å; L461-M478 HydrophobicContact CD2-CE 3.74Å; L461-M478 HydrophobicContact CD2-SD 4.33Å; L461-M478 HydrophobicContact CG-CE 4.49Å
462L98.1Very high97.2Very high16 Ų1657 Ų578%0.08432%0.319CS..Hα-helixtrans-61.3-34.5176.7-73.3172.5000111.7R397 L401 S458 I465 R466R397-L462 HydrophobicContact CG-CD2 4.48Å; L401-L462 HydrophobicContact CD1-CD2 4.41Å; L401-L462 HydrophobicContact CD2-CD2 4.44Å; L401-L462 HydrophobicContact CD2-CG 4.38Å; S458-L462 WeakPolarHBondContact O-CB 3.49Å; S458-L462 VanDerWaalsContact O-CG 3.24Å; S458-L462 WeakPolarHBondContact O-CG 3.46Å; S458-L462 PolarHBondContact O-N 3.34Å; L462-I465 HydrophobicContact CD2-CD1 4.4Å; L462-I465 PolarHBondContact O-N 3.22Å; L462-R466 WeakPolarHBondContact O-CB 3.38Å; L462-R466 VanDerWaalsContact O-CG 3.31Å; L462-R466 WeakPolarHBondContact O-CG 3.43Å; L462-R466 PolarHBondContact O-N 3.47Å; L462-R466 PolarHBondContact O-NE 3.06Å
463T98Very high97.1Very high61 Ų6153.8 Ų53.837%0.37430%0.304SS..Hα-helixtrans-64.3-43.6174.4-61.10000111.7E459 I460 L461 R466 A467E459-T463 WeakPolarHBondContact O-CB 3.47Å; E459-T463 PolarHBondContact O-N 3.34Å; E459-T463 PolarHBondContact O-OG1 3.33Å; I460-T463 WeakPolarHBondContact O-CB 3.36Å; I460-T463 PolarHBondContact O-N 3.03Å; L461-T463 PolarHBondContact O-N 3.2Å; T463-R466 PolarHBondContact O-N 3.21Å; T463-R466 PolarHBondContact OG1-NH2 3.41Å; T463-A467 WeakPolarHBondContact O-CB 3.42Å; T463-A467 PolarHBondContact O-N 3.31Å
464E97.3Very high97.1Very high25 Ų2558.6 Ų58.612%0.11732%0.322CS..Hα-helixtrans-68.9-34.3175.5-60.1-59.3128.800112.4L429 M437 R439 I460 L461 A467 L473L429-E464 HydrophobicContact CD1-CB 4.11Å; L429-E464 HydrophobicContact CD1-CG 4.04Å; M437-E464 HydrophobicContact SD-CG 4.46Å; R439-E464 WeakPolarHBondContact CD-OE1 3.39Å; R439-E464 HydrophobicContact CG-CG 4.23Å; R439-E464 WeakPolarHBondContact CG-OE1 3.49Å; R439-E464 IonicContact CZ-OE1 3.16Å; R439-E464 IonicContact CZ-OE2 3.46Å; R439-E464 IonicContact NE-OE1 3.7Å; R439-E464 PolarHBondContact NE-OE1 2.8Å; R439-E464 IonicContact NE-OE2 2.74Å; R439-E464 IonicContact NH2-OE1 3.53Å; R439-E464 PolarHBondContact NH2-OE1 3.08Å; R439-E464 IonicContact NH2-OE2 2.88Å; R439-E464 PolarHBondContact NH2-OE2 3Å; I460-E464 PolarHBondContact O-N 2.84Å; L461-E464 PolarHBondContact O-N 3.47Å; L461-E464 VanDerWaalsContact O-N 3.14Å; E464-A467 PolarHBondContact O-N 3.08Å; E464-L473 HydrophobicContact CB-CD2 4.2Å
465I97.2Very high97.1Very high34 Ų3456.4 Ų56.417%0.17431%0.313CS..Hα-helixtrans-62-48172.5-69.2168.2000110.5R397 L400 L461 L462 A467 V468 S469 L473R397-I465 HydrophobicContact CG-CD1 4.47Å; L400-I465 HydrophobicContact CD1-CD1 4.13Å; L400-I465 HydrophobicContact CD1-CG1 4.33Å; L461-I465 HydrophobicContact CD1-CD1 4.42Å; L461-I465 HydrophobicContact CG-CD1 4.1Å; L461-I465 WeakPolarHBondContact O-CG1 3.36Å; L461-I465 PolarHBondContact O-N 3.42Å; L462-I465 HydrophobicContact CD2-CD1 4.4Å; L462-I465 PolarHBondContact O-N 3.22Å; I465-A467 VanDerWaalsContact C-N 3.27Å; I465-A467 PolarHBondContact O-N 3.06Å; I465-V468 WeakPolarHBondContact O-CG2 3.44Å; I465-V468 PolarHBondContact O-N 3.25Å; I465-S469 PolarHBondContact O-N 2.54Å; I465-L473 HydrophobicContact CG1-CB 4.31Å; I465-L473 HydrophobicContact CG1-CD2 4.03Å
466R97.4Very high97Very high138 Ų13857.2 Ų57.252%0.52130%0.304SS..Hα-helixtrans-62-35.1177.4-73.7-179.3-68.5-114.42.8112.1E459 L462 T463 V468 S469E459-R466 IonicContact OE2-NH2 2.74Å; L462-R466 WeakPolarHBondContact O-CB 3.38Å; L462-R466 VanDerWaalsContact O-CG 3.31Å; L462-R466 WeakPolarHBondContact O-CG 3.43Å; L462-R466 PolarHBondContact O-N 3.47Å; L462-R466 PolarHBondContact O-NE 3.06Å; T463-R466 PolarHBondContact O-N 3.21Å; T463-R466 PolarHBondContact OG1-NH2 3.41Å; R466-V468 VanDerWaalsContact C-N 3.27Å; R466-V468 PolarHBondContact O-N 2.85Å; R466-S469 WeakPolarHBondContact O-CB 3.28Å; R466-S469 PolarHBondContact O-N 2.95Å
467A95.8Very high97.1Very high75 Ų7556.4 Ų56.462%0.6230%0.3SS*.Hα-helixtrans-64.4-28.2-177.100000113.9T463 E464 I465T463-A467 WeakPolarHBondContact O-CB 3.42Å; T463-A467 PolarHBondContact O-N 3.31Å; E464-A467 PolarHBondContact O-N 3.08Å; I465-A467 VanDerWaalsContact C-N 3.27Å; I465-A467 PolarHBondContact O-N 3.06Å
468V95.3Very high97.1Very high60 Ų6056.4 Ų56.436%0.36430%0.3SS..Hα-helixtrans-102.9-4.5-179.7-620000114I465 R466 K471 L473I465-V468 WeakPolarHBondContact O-CG2 3.44Å; I465-V468 PolarHBondContact O-N 3.25Å; R466-V468 VanDerWaalsContact C-N 3.27Å; R466-V468 PolarHBondContact O-N 2.85Å; V468-K471 CarbonylContact C-O 3.56Å; V468-K471 WeakPolarHBondContact CG2-O 3.42Å; V468-K471 WeakPolarHBondContact O-CB 3.31Å; V468-K471 PolarHBondContact O-N 3.35Å; V468-K471 VanDerWaalsContact O-O 3.07Å; V468-L473 HydrophobicContact CG2-CB 3.84Å; V468-L473 HydrophobicContact CG2-CD1 4.25Å
469S92.8Very high97.1Very high85 Ų8555.9 Ų55.959%0.59430%0.296SS*.THydrogen-bonded Turntrans-55.6138.8176.7-172.70000111.7I465 R466I465-S469 PolarHBondContact O-N 2.54Å; R466-S469 WeakPolarHBondContact O-CB 3.28Å; R466-S469 PolarHBondContact O-N 2.95Å
470P94.9Very high97.1Very high129 Ų12951.2 Ų51.284%0.83828%0.275SS*.THydrogen-bonded Turncis-84-0.410.634.5-37.3000115.1
471K94.9Very high97.1Very high163 Ų16355.5 Ų55.571%0.70929%0.29SS*.SBendtrans-77.5143.5177.6-64.2179.2-179176.60109.9V468V468-K471 CarbonylContact C-O 3.56Å; V468-K471 WeakPolarHBondContact CG2-O 3.42Å; V468-K471 WeakPolarHBondContact O-CB 3.31Å; V468-K471 PolarHBondContact O-N 3.35Å; V468-K471 VanDerWaalsContact O-O 3.07Å
472P95.6Very high97.1Very high79 Ų7955.5 Ų55.551%0.51329%0.29SS..  trans-71.5145.7176.829.2-34.3000111.2N395 R474N395-P472 HydrophobicContact CB-CB 4.3Å; N395-P472 WeakPolarHBondContact O-CB 3.24Å; P472-R474 HydrophobicContact CG-CG 4.36Å; P472-R474 PolarHBondContact O-N 3.08Å
473L96.9Very high97.1Very high10 Ų1055.4 Ų55.45%0.05229%0.29CS..  trans-74.8109.8170.2-178.463.9000109.3N395 L400 L429 L461 E464 I465 V468 L475N395-L473 WeakPolarHBondContact CA-O 3.49Å; L400-L473 HydrophobicContact CD1-CB 4.44Å; L429-L473 HydrophobicContact CD1-CD2 4.22Å; L461-L473 HydrophobicContact CD1-CD2 4.3Å; E464-L473 HydrophobicContact CB-CD2 4.2Å; I465-L473 HydrophobicContact CG1-CB 4.31Å; I465-L473 HydrophobicContact CG1-CD2 4.03Å; V468-L473 HydrophobicContact CG2-CB 3.84Å; V468-L473 HydrophobicContact CG2-CD1 4.25Å; L473-L475 HydrophobicContact CD1-CD2 3.93Å; L473-L475 HydrophobicContact CD2-CD1 4.16Å; L473-L475 HydrophobicContact CD2-CD2 4.16Å; L473-L475 HydrophobicContact CD2-CG 4.23Å; L473-L475 HydrophobicContact CG-CD1 4.43Å; L473-L475 HydrophobicContact CG-CD2 3.78Å; L473-L475 HydrophobicContact CG-CG 3.95Å
474R97.9Very high97Very high100 Ų10054.8 Ų54.838%0.37729%0.288SS..  trans-98.8104-175.1-60172.269.4-177.95.2111.1E393 N395 T431 I432 P472E393-R474 VanDerWaalsContact CD-NH2 3.3Å; E393-R474 HydrophobicContact CG-CB 4.44Å; E393-R474 IonicContact OE1-CZ 3.48Å; E393-R474 VanDerWaalsContact OE1-CZ 3.28Å; E393-R474 IonicContact OE1-NE 3.81Å; E393-R474 PolarHBondContact OE1-NE 2.94Å; E393-R474 IonicContact OE1-NH2 2.66Å; E393-R474 PolarHBondContact OE1-NH2 3.48Å; E393-R474 IonicContact OE2-CZ 3.56Å; E393-R474 IonicContact OE2-NE 3.06Å; E393-R474 PolarHBondContact OE2-NE 3.4Å; E393-R474 IonicContact OE2-NH2 3.43Å; E393-R474 PolarHBondContact OE2-NH2 2.92Å; N395-R474 HydrophobicContact CB-CG 4Å; T431-R474 WeakPolarHBondContact CA-O 3.16Å; I432-R474 HydrophobicContact CD1-CB 3.99Å; I432-R474 VanDerWaalsContact CD1-NE 3.35Å; I432-R474 HydrophobicContact CG1-CB 3.91Å; I432-R474 HydrophobicContact CG2-CB 4.21Å; I432-R474 PolarHBondContact N-O 3.16Å; I432-R474 VanDerWaalsContact N-O 3.08Å; P472-R474 HydrophobicContact CG-CG 4.36Å; P472-R474 PolarHBondContact O-N 3.08Å
475L98.4Very high96.9Very high0 Ų055 Ų550%029%0.289CS..EExtended strand (participates in β ladder)trans-108.3152.4-175-58.4-170.7000112.9F391 E393 L394 L400 L429 K430 L473 M478F391-L475 HydrophobicContact CE2-CB 4.09Å; F391-L475 HydrophobicContact CZ-CB 4.37Å; E393-L475 WeakPolarHBondContact CA-O 3.37Å; L394-L475 PolarHBondContact N-O 3.16Å; L394-L475 PolarHBondContact O-N 3.38Å; L400-L475 HydrophobicContact CD2-CB 4.2Å; L400-L475 HydrophobicContact CD2-CD1 3.71Å; L400-L475 HydrophobicContact CD2-CG 4.08Å; L429-L475 HydrophobicContact CB-CD1 4.06Å; L429-L475 HydrophobicContact CB-CD2 4.01Å; L429-L475 HydrophobicContact CD1-CD1 4.39Å; L429-L475 HydrophobicContact CD2-CD1 3.7Å; L429-L475 HydrophobicContact CG-CD1 4.27Å; K430-L475 WeakPolarHBondContact O-CA 3.5Å; L473-L475 HydrophobicContact CD1-CD2 3.93Å; L473-L475 HydrophobicContact CD2-CD1 4.16Å; L473-L475 HydrophobicContact CD2-CD2 4.16Å; L473-L475 HydrophobicContact CD2-CG 4.23Å; L473-L475 HydrophobicContact CG-CD1 4.43Å; L473-L475 HydrophobicContact CG-CD2 3.78Å; L473-L475 HydrophobicContact CG-CG 3.95Å; L475-M478 HydrophobicContact CD1-CE 3.9Å
476R97.8Very high96.6Very high73 Ų7357.7 Ų57.728%0.27530%0.301SS..EExtended strand (participates in β ladder)trans-123.7-9.7170.470.4175.8-67.9135.94.2113.6T390 F391 K430 T431T390-R476 CarbonylContact C-O 3.6Å; T390-R476 VanDerWaalsContact CA-O 3.3Å; T390-R476 WeakPolarHBondContact CA-O 3.4Å; T390-R476 WeakPolarHBondContact CG2-O 3.49Å; F391-R476 PolarHBondContact N-O 2.89Å; K430-R476 HydrophobicContact CB-CG 4.27Å; K430-R476 HydrophobicContact CD-CG 4.29Å; K430-R476 HydrophobicContact CG-CG 4.2Å; K430-R476 PolarHBondContact O-N 3.47Å; T431-R476 VanDerWaalsContact O-CD 3.29Å; T431-R476 WeakPolarHBondContact O-CD 3.41Å; T431-R476 VanDerWaalsContact O-CG 3.27Å; T431-R476 WeakPolarHBondContact O-CG 3.4Å
477L98.6Very high96.1Very high1 Ų155.7 Ų55.71%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-150139.4173.6169.9170.8000108.9E388 R389 T390 K428 K430E388-L477 HydrophobicContact CB-CD2 4.21Å; E388-L477 HydrophobicContact CB-CG 4.46Å; R389-L477 WeakPolarHBondContact O-CA 3.19Å; R389-L477 WeakPolarHBondContact O-CG 3.35Å; T390-L477 WeakPolarHBondContact OG1-CD1 3.48Å; K428-L477 HydrophobicContact CD-CD2 4.43Å; K428-L477 HydrophobicContact CG-CD2 4.37Å; K430-L477 HydrophobicContact CB-CB 3.76Å; K430-L477 HydrophobicContact CB-CD2 4.26Å; K430-L477 HydrophobicContact CB-CG 4.45Å; K430-L477 PolarHBondContact N-O 3.45Å; K430-L477 PolarHBondContact O-N 3.22Å
478M98.7Very high94.9Very high0 Ų058.9 Ų58.90%031%0.307CS..EExtended strand (participates in β ladder)trans-129.7144168.1-173.6178.5-6500108.7E388 R389 F391 L400 M403 C404 L407 K428 L429 L461 L475E388-M478 WeakPolarHBondContact CA-O 3.43Å; R389-M478 PolarHBondContact N-O 2.89Å; R389-M478 PolarHBondContact O-N 2.82Å; R389-M478 VanDerWaalsContact O-N 3.16Å; F391-M478 HydrophobicContact CE1-CB 3.82Å; F391-M478 HydrophobicContact CZ-CB 3.85Å; L400-M478 HydrophobicContact CB-CE 4.33Å; L400-M478 HydrophobicContact CD2-CE 3.88Å; L400-M478 WeakPolarHBondContact O-CE 3.45Å; M403-M478 HydrophobicContact CB-SD 4.37Å; M403-M478 HydrophobicContact CG-CB 4.15Å; M403-M478 HydrophobicContact CG-SD 4.06Å; C404-M478 HydrophobicContact CB-SD 3.68Å; L407-M478 HydrophobicContact CD1-CB 3.77Å; L407-M478 HydrophobicContact CD1-CG 3.58Å; L407-M478 WeakPolarHBondContact CD1-O 3.5Å; L407-M478 HydrophobicContact CD1-SD 4.07Å; K428-M478 CarbonylContact O-C 3.6Å; K428-M478 WeakPolarHBondContact O-CA 3.48Å; L429-M478 HydrophobicContact CD2-CB 4.44Å; L429-M478 HydrophobicContact CD2-CE 4Å; L429-M478 HydrophobicContact CD2-CG 3.83Å; L461-M478 HydrophobicContact CD1-CE 3.88Å; L461-M478 HydrophobicContact CD2-CE 3.74Å; L461-M478 HydrophobicContact CD2-SD 4.33Å; L461-M478 HydrophobicContact CG-CE 4.49Å; L475-M478 HydrophobicContact CD1-CE 3.9Å
479G98.7Very high93.1Very high3 Ų367 Ų673%0.03133%0.332CS..EExtended strand (participates in β ladder)trans-143.9148.3173.900000111.8V387 V427 K428V387-G479 CarbonylContact O-C 3.56Å; V387-G479 WeakPolarHBondContact O-CA 3.01Å; V427-G479 CarbonylContact C-O 3.56Å; V427-G479 WeakPolarHBondContact CA-O 3.47Å; K428-G479 PolarHBondContact N-O 3.49Å; K428-G479 PolarHBondContact O-N 3.45Å
480V98.6Very high91Very high2 Ų272.4 Ų72.41%0.01235%0.345CS..EExtended strand (participates in β ladder)trans-122137.1174.5179.10000108.1G386 V387 L407 V411 V425 T426 M453G386-V480 CarbonylContact C-O 3.45Å; G386-V480 WeakPolarHBondContact CA-O 3.16Å; V387-V480 PolarHBondContact N-O 3.03Å; V387-V480 PolarHBondContact O-N 2.99Å; L407-V480 HydrophobicContact CB-CB 4.15Å; L407-V480 HydrophobicContact CB-CG2 3.71Å; L407-V480 HydrophobicContact CD1-CG2 4.41Å; V411-V480 HydrophobicContact CG2-CB 4.36Å; V411-V480 WeakPolarHBondContact CG2-O 3.41Å; V425-V480 HydrophobicContact CG1-CG1 4.16Å; T426-V480 CarbonylContact O-C 3.53Å; T426-V480 WeakPolarHBondContact O-CA 3.32Å; M453-V480 HydrophobicContact CE-CG1 3.99Å
481R98.6Very high88Confident112 Ų11271.5 Ų71.542%0.42334%0.341SS..EExtended strand (participates in β ladder)trans-135.5131.7179174.3-170.9-174.8-153.3-1.1110S384 I385 V425 T426S384-R481 VanDerWaalsContact CB-NH2 3.26Å; S384-R481 VanDerWaalsContact OG-CZ 3.28Å; S384-R481 PolarHBondContact OG-NE 3.48Å; S384-R481 PolarHBondContact OG-NH2 2.83Å; I385-R481 CarbonylContact O-C 3.57Å; I385-R481 WeakPolarHBondContact O-CA 3.28Å; V425-R481 CarbonylContact C-O 3.53Å; V425-R481 WeakPolarHBondContact CA-O 3.36Å; T426-R481 PolarHBondContact N-O 3.24Å; T426-R481 PolarHBondContact O-N 3.1Å
482L98.5Very high85.1Confident0 Ų069 Ų690%034%0.344CS..EExtended strand (participates in β ladder)trans-100.2131169.3-174.368.1000109.3S384 I385 V411 A415 T424 V425 T447 M453 F485S384-L482 CarbonylContact C-O 3.57Å; S384-L482 VanDerWaalsContact CA-O 3.27Å; S384-L482 WeakPolarHBondContact CA-O 3.42Å; S384-L482 WeakPolarHBondContact CB-O 3.15Å; I385-L482 HydrophobicContact CG2-CB 3.99Å; I385-L482 HydrophobicContact CG2-CD2 4.49Å; I385-L482 PolarHBondContact N-O 3.33Å; I385-L482 PolarHBondContact O-N 3.43Å; I385-L482 VanDerWaalsContact O-O 3.13Å; V411-L482 HydrophobicContact CG1-CB 4.08Å; A415-L482 HydrophobicContact CB-CD2 4.17Å; T424-L482 CarbonylContact O-C 3.58Å; T424-L482 WeakPolarHBondContact O-CA 3.42Å; V425-L482 HydrophobicContact CG2-CD1 4.13Å; T447-L482 WeakPolarHBondContact O-CD2 3.37Å; M453-L482 HydrophobicContact CE-CB 4.23Å; M453-L482 HydrophobicContact SD-CD1 4.4Å; M453-L482 HydrophobicContact SD-CD2 4.23Å; L482-F485 HydrophobicContact CD2-CE1 4.23Å; L482-F485 HydrophobicContact CG-CE1 4.12Å
483S97.7Very high81.9Confident13 Ų1371 Ų719%0.09136%0.358CS..EExtended strand (participates in β ladder)trans-145.2-176.9178.565.70000112R423 T424R423-S483 PolarHBondContact N-O 3.44Å; T424-S483 WeakPolarHBondContact CB-OG 3.34Å; T424-S483 PolarHBondContact N-O 3Å; T424-S483 PolarHBondContact O-N 3.4Å
484S95.7Very high78.9Confident48 Ų4875.8 Ų75.834%0.33639%0.39SS..EExtended strand (participates in β ladder)trans58.364.2-174.1-510000109.7G422 R423 T424 Y446G422-S484 WeakPolarHBondContact CA-O 3.44Å; R423-S484 PolarHBondContact N-O 2.95Å; T424-S484 WeakPolarHBondContact OG1-CB 3.27Å; T424-S484 PolarHBondContact OG1-OG 3.23Å; Y446-S484 WeakPolarHBondContact CE1-O 3.48Å
485F95.1Very high75.9Confident30 Ų3080.1 Ų80.113%0.13241%0.412CS..EExtended strand (participates in β ladder)trans-69.3156.2-176.8-61-46.3000112.3R382 S384 I385 L420 K421 L482R382-F485 HydrophobicContact CB-CE2 4.43Å; R382-F485 HydrophobicContact CG-CE2 4.06Å; R382-F485 WeakPolarHBondContact O-CD2 3.27Å; R382-F485 VanDerWaalsContact O-CE2 3.27Å; R382-F485 WeakPolarHBondContact O-CE2 3.42Å; S384-F485 VanDerWaalsContact C-CZ 3.49Å; S384-F485 VanDerWaalsContact CA-CZ 3.47Å; I385-F485 HydrophobicContact CB-CZ 4.06Å; I385-F485 HydrophobicContact CG2-CE1 4.08Å; I385-F485 HydrophobicContact CG2-CZ 3.79Å; L420-F485 HydrophobicContact CB-CD1 4.36Å; L420-F485 HydrophobicContact CB-CE1 4.22Å; L420-F485 HydrophobicContact CB-CZ 4.46Å; L420-F485 HydrophobicContact CD1-CE1 4.49Å; L420-F485 HydrophobicContact CD1-CE2 3.95Å; L420-F485 HydrophobicContact CD1-CZ 3.91Å; L420-F485 HydrophobicContact CD2-CD2 4.19Å; L420-F485 HydrophobicContact CD2-CE2 4.4Å; L420-F485 HydrophobicContact CD2-CG 4.41Å; K421-F485 CarbonylContact O-C 3.58Å; K421-F485 WeakPolarHBondContact O-CA 3.23Å; K421-F485 WeakPolarHBondContact O-CD1 3.48Å; L482-F485 HydrophobicContact CD2-CE1 4.23Å; L482-F485 HydrophobicContact CG-CE1 4.12Å
486Q91.8Very high72.9Confident91 Ų9185.6 Ų85.643%0.42544%0.44SS..PPolyproline II helixtrans-57.7127.2171.8-172.8170.53.700108.8K421 Y446 E488K421-Q486 PolarHBondContact O-N 3.34Å; Y446-Q486 HydrophobicContact CD1-CB 3.84Å; Y446-Q486 HydrophobicContact CD2-CB 4.24Å; Y446-Q486 HydrophobicContact CD2-CG 4.21Å; Y446-Q486 VanDerWaalsContact CE1-CA 3.41Å; Y446-Q486 HydrophobicContact CE1-CB 3.96Å; Y446-Q486 VanDerWaalsContact CE1-N 3.3Å; Y446-Q486 HydrophobicContact CE2-CB 4.33Å; Y446-Q486 HydrophobicContact CE2-CG 4.19Å; Y446-Q486 HydrophobicContact CG-CB 3.99Å; Y446-Q486 HydrophobicContact CG-CG 4.45Å; Q486-E488 PolarHBondContact O-N 3.4Å
487P85.4Confident70Confident95 Ų9584 Ų8462%0.61744%0.44SS*.PPolyproline II helixtrans-58.7136.1172.7-19.229.8000109R489P487-R489 PolarHBondContact O-N 3.32Å
488E70.8Confident67.4Low142 Ų14291 Ų9166%0.66448%0.476SS*.PPolyproline II helixtrans-61.5124.8173.3-61.9-16317600108.9Q486 K490Q486-E488 PolarHBondContact O-N 3.4Å; E488-K490 PolarHBondContact O-N 2.79Å
489R58.3Low64.8Low231 Ų23195.7 Ų95.787%0.87250%0.501SS*.  trans-70.3103.5169.4-79.3-176.5170.5176.3-3.1106.1P487 S491P487-R489 PolarHBondContact O-N 3.32Å; R489-S491 PolarHBondContact O-N 3.03Å
490K47.5Very low62Low199 Ų19997.9 Ų97.987%0.86552%0.516SS*.  trans-52.8107.5167.1-70-170.7176.7-170.90107.9E488 S492E488-K490 PolarHBondContact O-N 2.79Å; K490-S492 PolarHBondContact O-N 3.33Å
491S31.9Very low59Low110 Ų110105.7 Ų105.777%0.76955%0.55SS**  trans-65.7129.4172.7450000108.6R489R489-S491 PolarHBondContact O-N 3.03Å
492S34.5Very low56Low109 Ų109103.3 Ų103.376%0.76256%0.555SS**  trans65.789.2178.868.70000118.6K490K490-S492 PolarHBondContact O-N 3.33Å
493C28.7Very low53.3Low121 Ų121110.8 Ų110.882%0.81859%0.587SS**  -100.7133.9111.8-73.10000106F495C493-F495 PolarHBondContact O-N 3.37Å
494P33.3Very low50.4Low111 Ų111114 Ų11472%0.72161%0.614SS**  trans-57.3133171.227.6-32.1000106.5I496P494-I496 VanDerWaalsContact C-N 3.27Å; P494-I496 PolarHBondContact O-N 3.36Å
495F34.3Very low47.5Very low191 Ų191114.9 Ų114.984%0.83863%0.632SS**  trans-53.998.9171.1-160.7-95.7000106.6C493 S497C493-F495 PolarHBondContact O-N 3.37Å; F495-S497 PolarHBondContact O-N 2.87Å
496I35.7Very low44.6Very low115 Ų115120.3 Ų120.359%0.5966%0.661SS**  trans-63.592.5159.7-66179000102.1P494 S500 F501P494-I496 VanDerWaalsContact C-N 3.27Å; P494-I496 PolarHBondContact O-N 3.36Å; I496-S500 VanDerWaalsContact C-OG 3.31Å; I496-S500 VanDerWaalsContact CA-OG 3.23Å; I496-S500 WeakPolarHBondContact CA-OG 3.39Å; I496-S500 WeakPolarHBondContact CG2-OG 3.33Å; I496-F501 HydrophobicContact CG2-CD2 4.2Å
497S38.5Very low41.6Very low40 Ų40127 Ų12728%0.2868%0.682SS.*  trans-55.7150.617280.10000107F495 D499 S500F495-S497 PolarHBondContact O-N 2.87Å; S497-D499 PolarHBondContact O-N 3.39Å; S497-D499 WeakPolarHBondContact OG-CB 3.44Å; S497-D499 PolarHBondContact OG-N 3.41Å; S497-S500 PolarHBondContact N-OG 2.99Å; S497-S500 PolarHBondContact O-N 2.92Å; S497-S500 PolarHBondContact O-OG 3.02Å
498I43.7Very low39.1Very low148 Ų148128 Ų12876%0.75969%0.692SS**Hα-helixtrans-52.8-24176.6-126.7163.9000111.4F501 A502I498-F501 PolarHBondContact O-N 3.03Å; I498-A502 PolarHBondContact O-N 3.17Å; I498-A502 VanDerWaalsContact O-N 3.09Å
499D43.3Very low37.1Very low98 Ų98132.9 Ų132.952%0.52470%0.704SS.*Hα-helixtrans-68.1-29.8173.1-64.2-44.5000114.3S497 A502 K503S497-D499 PolarHBondContact O-N 3.39Å; S497-D499 WeakPolarHBondContact OG-CB 3.44Å; S497-D499 PolarHBondContact OG-N 3.41Å; D499-A502 PolarHBondContact O-N 3.41Å; D499-K503 WeakPolarHBondContact O-CB 3.46Å; D499-K503 VanDerWaalsContact O-CG 3.31Å; D499-K503 WeakPolarHBondContact O-CG 3.31Å; D499-K503 PolarHBondContact O-N 2.75Å
500S39.4Very low35.9Very low50 Ų50127.3 Ų127.335%0.3570%0.7SS.*Hα-helixtrans-78.7-23.7177.453.30000113I496 S497 A504I496-S500 VanDerWaalsContact C-OG 3.31Å; I496-S500 VanDerWaalsContact CA-OG 3.23Å; I496-S500 WeakPolarHBondContact CA-OG 3.39Å; I496-S500 WeakPolarHBondContact CG2-OG 3.33Å; S497-S500 PolarHBondContact N-OG 2.99Å; S497-S500 PolarHBondContact O-N 2.92Å; S497-S500 PolarHBondContact O-OG 3.02Å; S500-A504 WeakPolarHBondContact O-CB 3.42Å; S500-A504 PolarHBondContact O-N 2.81Å
501F36Very low35.1Very low165 Ų165123.8 Ų123.872%0.72470%0.698SS**Hα-helixtrans-76.7-36167.2-135-94.2000111.5I496 I498I496-F501 HydrophobicContact CG2-CD2 4.2Å; I498-F501 PolarHBondContact O-N 3.03Å
502A36.9Very low35.1Very low63 Ų63124.3 Ų124.352%0.52170%0.702SS.*Hα-helixtrans-72.4-24.9176.200000114I498 D499I498-A502 PolarHBondContact O-N 3.17Å; I498-A502 VanDerWaalsContact O-N 3.09Å; D499-A502 PolarHBondContact O-N 3.41Å
503K40Very low35.1Very low157 Ų157124.7 Ų124.768%0.68370%0.704SS**Hα-helixtrans-92-16.4177.1-72.6174.6-177.7175.50114.3D499D499-K503 WeakPolarHBondContact O-CB 3.46Å; D499-K503 VanDerWaalsContact O-CG 3.31Å; D499-K503 WeakPolarHBondContact O-CG 3.31Å; D499-K503 PolarHBondContact O-N 2.75Å
504A38.8Very low35.3Very low79 Ų79124 Ų12465%0.65371%0.707SS**Hα-helixtrans-81.8-13.2174.800000113.4S500 L506S500-A504 WeakPolarHBondContact O-CB 3.42Å; S500-A504 PolarHBondContact O-N 2.81Å; A504-L506 VanDerWaalsContact C-N 3.35Å
505G34.5Very low35.1Very low68 Ų68122.6 Ų122.670%0.70171%0.713SS**THydrogen-bonded Turntrans-84.74.1173.700000115.6
506L33.4Very low34.7Very low143 Ų143119.5 Ų119.575%0.74971%0.713SS**  trans-124.946.8-176.4-81.9153.9000111.9A504A504-L506 VanDerWaalsContact C-N 3.35Å
507R28.7Very low34.4Very low232 Ų232120 Ų12088%0.87573%0.728SS**  trans-12968.9164.3-70.2-170.4179.5-157.7-0.2109.8
508S33.6Very low34.1Very low117 Ų117121.3 Ų121.382%0.81875%0.747SS**PPolyproline II helixtrans-72.7123.5164.551.10000109.7
509R29.2Very low33.6Very low244 Ų244121.2 Ų121.292%0.92175%0.754SS**PPolyproline II helixtrans-50.1134.3169.8-72.4168.7160-179-7.3111.7
510S31.7Very low33Very low113 Ų113122 Ų12279%0.7977%0.767SS**PPolyproline II helixtrans-72.1158.2161.36.40000111.3
511P31.2Very low32.8Very low125 Ų125125.3 Ų125.381%0.81279%0.787SS**  trans-104.7153-143.237.3-30.8000114
512S32.6Very low32.5Very low122 Ų122124.8 Ų124.885%0.85379%0.792SS**  trans-118.8127.1157.26.20000109.4
513S33Very low32.3Very low116 Ų116127 Ų12781%0.81180%0.803SS**  trans-42.1146.9-176.151.80000120
514A32.9Very low31.7Very low107 Ų107125 Ų12588%0.88481%0.809SS**  115.6121.2129.300000116.9
515G30.4Very low31.4Very low81 Ų81129.6 Ų129.684%0.83582%0.817SS**  trans139.1105.8160.200000114.3
516C25.2Very low31.1Very low126 Ų126135.6 Ų135.685%0.85183%0.827SS**  trans-75.8163.2-169.1-720000116.9
517S30.5Very low30.9Very low127 Ų127134.6 Ų134.689%0.88883%0.827SS**  trans91.1127.4139.771.90000119.9
518G31.6Very low31.3Very low66 Ų66126.9 Ų126.968%0.6881%0.808SS**  trans134.276.4152.100000117.2
519T32.2Very low31.6Very low147 Ų147127.6 Ų127.690%0.90281%0.808SS**  trans49.8125.3141.846.90000122.3
520S32.2Very low32.5Very low115 Ų115123.3 Ų123.380%0.80479%0.793SS**  trans-74.5-166.4177.5-42.20000114.8
521P35.2Very low34Very low118 Ų118120.4 Ų120.477%0.76677%0.773SS**  -126.5172.9-100.136.3-15.8000112.7
522D29.1Very low36.1Very low155 Ų155119.4 Ų119.483%0.82976%0.757SS**  -176.8157.2128-130.3-26.7000114.3
523S32.8Very low38.3Very low108 Ų108116.5 Ų116.576%0.75573%0.729SS**  trans77.785.416361.50000118.8E525S523-E525 PolarHBondContact O-N 2.83Å
524S27.2Very low40.6Very low117 Ų117114.7 Ų114.782%0.81871%0.713SS**  trans-70.3110.4157.651.10000111.6
525E32.3Very low43Very low175 Ų175109.6 Ų109.682%0.81867%0.671SS**  trans-93.5112.3153.9-83.3-172.9158.100108.9S523 T527S523-E525 PolarHBondContact O-N 2.83Å; E525-T527 PolarHBondContact O-N 3.22Å
526Q27.5Very low45.5Very low194 Ų194110.4 Ų110.491%0.90766%0.662SS**  trans-68.494.3170.7-74.7178.7-1400109.3S528Q526-S528 PolarHBondContact O-N 3.36Å
527T29.8Very low48.1Very low121 Ų121107.6 Ų107.674%0.74264%0.637SS**  trans-80.1107.4167.739.80000109E525 T529E525-T527 PolarHBondContact O-N 3.22Å; T527-T529 PolarHBondContact O-N 3.2Å
528S37.3Very low50.7Low70 Ų70104.6 Ų104.649%0.4962%0.616SS.*  trans-61.7116.617060.80000109.4Q526 Y530Q526-S528 PolarHBondContact O-N 3.36Å; S528-Y530 VanDerWaalsContact O-CD2 3.28Å; S528-Y530 WeakPolarHBondContact O-CD2 3.34Å; S528-Y530 PolarHBondContact O-N 3.33Å; S528-Y530 VanDerWaalsContact OG-CE2 3.29Å; S528-Y530 WeakPolarHBondContact OG-CE2 3.49Å
529T40.3Very low53.3Low132 Ų132107.2 Ų107.281%0.8161%0.614SS**  trans-66.996.617537.50000110.3T527 S531T527-T529 PolarHBondContact O-N 3.2Å; T529-S531 PolarHBondContact O-N 2.84Å
530Y47.7Very low55.7Low154 Ų154105 Ų10560%0.60460%0.596SS**  trans-68.5117.3168.3-70.3-87000108.8S528 E532 I545S528-Y530 VanDerWaalsContact O-CD2 3.28Å; S528-Y530 WeakPolarHBondContact O-CD2 3.34Å; S528-Y530 PolarHBondContact O-N 3.33Å; S528-Y530 VanDerWaalsContact OG-CE2 3.29Å; S528-Y530 WeakPolarHBondContact OG-CE2 3.49Å; Y530-E532 PolarHBondContact O-N 2.87Å; Y530-I545 HydrophobicContact CD1-CD1 4.31Å; Y530-I545 HydrophobicContact CD1-CG1 4.09Å; Y530-I545 HydrophobicContact CE1-CD1 4.27Å; Y530-I545 HydrophobicContact CE1-CG1 4.49Å
531S63.9Low58.1Low52 Ų52103.8 Ų103.836%0.36458%0.58SS.*  trans-73.4115.5168.219.20000108.5T529 F533T529-S531 PolarHBondContact O-N 2.84Å; S531-F533 WeakPolarHBondContact O-CD2 3.35Å
532E74.4Confident60.2Low105 Ų10599.6 Ų99.649%0.49155%0.551SS.*EExtended strand (participates in β ladder)trans-83121172-66.5-169.1154.400108.7Y530 I541 K543Y530-E532 PolarHBondContact O-N 2.87Å; E532-I541 HydrophobicContact CB-CG2 4.01Å; E532-I541 HydrophobicContact CG-CG2 4.35Å; E532-K543 HydrophobicContact CG-CG 4.37Å; E532-K543 VanDerWaalsContact OE1-CE 3.24Å; E532-K543 WeakPolarHBondContact OE1-CE 3.43Å; E532-K543 IonicContact OE1-NZ 2.71Å; E532-K543 PolarHBondContact OE1-NZ 2.91Å
533F78.2Confident62.3Low61 Ų6199.4 Ų99.427%0.26854%0.543SS..EExtended strand (participates in β ladder)trans-109.5134.7176.7-60.9-87.7000110.5S531 I542 L547 I550S531-F533 WeakPolarHBondContact O-CD2 3.35Å; F533-I542 PolarHBondContact N-O 3.43Å; F533-I542 VanDerWaalsContact N-O 3.17Å; F533-I542 PolarHBondContact O-N 2.88Å; F533-L547 HydrophobicContact CE1-CD2 3.88Å; F533-L547 HydrophobicContact CZ-CD2 3.84Å; F533-I550 HydrophobicContact CB-CB 4.31Å; F533-I550 HydrophobicContact CB-CD1 3.37Å; F533-I550 HydrophobicContact CB-CG1 4.4Å; F533-I550 HydrophobicContact CG-CD1 4.27Å
534T82.6Confident63.8Low77 Ų7795.2 Ų95.247%0.47252%0.517SS..EExtended strand (participates in β ladder)trans-100.6129179.3-560000110.1P536T534-P536 WeakPolarHBondContact O-CD 3.29Å
535C83Confident65.4Low0 Ų095.2 Ų95.20%051%0.506CS..  trans-67.8123.3174.1176.40000110.9I537 C538 N539 L540 H553C535-I537 PolarHBondContact O-N 2.8Å; C535-I537 PolarHBondContact SG-N 3.16Å; C535-I537 VanDerWaalsContact SG-N 3.39Å; C535-C538 VanDerWaalsContact SG-SG 3.63Å; C535-N539 WeakPolarHBondContact O-CA 3.4Å; C535-N539 PolarHBondContact O-N 3.36Å; C535-L540 PolarHBondContact N-O 3.2Å; C535-H553 WeakPolarHBondContact CB-CD2 3.43Å; C535-H553 VanDerWaalsContact CB-NE2 3.32Å; C535-H553 WeakPolarHBondContact CB-NE2 3.33Å; C535-H553 PolarHBondContact SG-CD2 2.93Å; C535-H553 PolarHBondContact SG-NE2 3.36Å
536P81.4Confident67.4Low98 Ų9890.8 Ų90.864%0.63649%0.488SS*.THydrogen-bonded Turntrans-71.2-9.1179.629.7-37000114T534 V554T534-P536 WeakPolarHBondContact O-CD 3.29Å; P536-V554 HydrophobicContact CG-CG2 4.46Å
537I80.9Confident69.9Low67 Ų6786.5 Ų86.534%0.34447%0.471SS..THydrogen-bonded Turntrans-92.7-44.1-179-50.9-59000111.7C535 V554 C557 L558C535-I537 PolarHBondContact O-N 2.8Å; C535-I537 PolarHBondContact SG-N 3.16Å; C535-I537 VanDerWaalsContact SG-N 3.39Å; I537-V554 HydrophobicContact CG1-CG1 4.46Å; I537-C557 HydrophobicContact CB-CB 3.7Å; I537-C557 HydrophobicContact CG1-CB 4.1Å; I537-C557 HydrophobicContact CG2-CB 3.74Å; I537-L558 HydrophobicContact CD1-CD2 3.68Å; I537-L558 HydrophobicContact CD1-CG 4.27Å; I537-L558 HydrophobicContact CG1-CD2 4.18Å; I537-L558 HydrophobicContact CG1-CG 4.26Å
538C85.7Confident72.2Confident64 Ų6490 Ų9043%0.43247%0.47SS..THydrogen-bonded Turntrans-121.60.5-173.871.60000114.3C535 L540 H553 C557C535-C538 VanDerWaalsContact SG-SG 3.63Å; C538-L540 PolarHBondContact O-N 2.83Å; C538-L540 VanDerWaalsContact O-N 3.15Å; C538-L540 WeakPolarHBondContact SG-CB 3.48Å; C538-H553 PolarHBondContact SG-NE2 3.07Å; C538-C557 VanDerWaalsContact SG-SG 3.64Å
539N84.7Confident74.2Confident122 Ų12288.9 Ų88.965%0.65247%0.465SS*.  trans58.617.3-176.2-67.8-10.6000115.3C535 I541C535-N539 WeakPolarHBondContact O-CA 3.4Å; C535-N539 PolarHBondContact O-N 3.36Å; N539-I541 PolarHBondContact O-N 3.07Å
540L83.4Confident76.3Confident99 Ų9983.5 Ų83.552%0.51843%0.431SS..  trans-70.8127.1174-171.368.6000110.2C535 C538 I542C535-L540 PolarHBondContact N-O 3.2Å; C538-L540 PolarHBondContact O-N 2.83Å; C538-L540 VanDerWaalsContact O-N 3.15Å; C538-L540 WeakPolarHBondContact SG-CB 3.48Å; L540-I542 PolarHBondContact O-N 3.15Å
541I83.4Confident78Confident90 Ų9080.8 Ų80.846%0.46243%0.427SS..EExtended strand (participates in β ladder)trans-77.3119.2171.9-60.2175.5000108.4E532 N539 K543E532-I541 HydrophobicContact CB-CG2 4.01Å; E532-I541 HydrophobicContact CG-CG2 4.35Å; N539-I541 PolarHBondContact O-N 3.07Å; I541-K543 HydrophobicContact CG2-CG 4.37Å
542I79.1Confident78.9Confident30 Ų3084.5 Ų84.515%0.15444%0.438CS..EExtended strand (participates in β ladder)trans-103.3110.1177.8-54.9172.5000107.2F533 L540 I550 H553F533-I542 PolarHBondContact N-O 3.43Å; F533-I542 VanDerWaalsContact N-O 3.17Å; F533-I542 PolarHBondContact O-N 2.88Å; L540-I542 PolarHBondContact O-N 3.15Å; I542-I550 HydrophobicContact CD1-CB 4.19Å; I542-I550 HydrophobicContact CD1-CG1 4.19Å; I542-H553 HydrophobicContact CD1-CB 3.43Å; I542-H553 VanDerWaalsContact CD1-CB 3.43Å; I542-H553 VanDerWaalsContact CD1-CG 3.41Å
543K72.5Confident79.4Confident152 Ų15281.4 Ų81.466%0.66142%0.424SS*.EExtended strand (participates in β ladder)trans-84.5113.2176.6-57.1-165.8-174.9-1310109.1E532 I541E532-K543 HydrophobicContact CG-CG 4.37Å; E532-K543 VanDerWaalsContact OE1-CE 3.24Å; E532-K543 WeakPolarHBondContact OE1-CE 3.43Å; E532-K543 IonicContact OE1-NZ 2.71Å; E532-K543 PolarHBondContact OE1-NZ 2.91Å; I541-K543 HydrophobicContact CG2-CG 4.37Å
544G63.5Low79.7Confident20 Ų2079.7 Ų79.721%0.20642%0.419CS..SBendtrans167148.717600000113D546G544-D546 PolarHBondContact O-N 3.29Å
545I60.8Low79.7Confident117 Ų11780.5 Ų80.560%0.642%0.42SS*.SBendtrans-77.4-6.8-175.7-54.3162.2000111.8Y530Y530-I545 HydrophobicContact CD1-CD1 4.31Å; Y530-I545 HydrophobicContact CD1-CG1 4.09Å; Y530-I545 HydrophobicContact CE1-CD1 4.27Å; Y530-I545 HydrophobicContact CE1-CG1 4.49Å
546D75.4Confident79.7Confident81 Ų8183.2 Ų83.243%0.43344%0.436SS..  trans-99.7109.9-171.7-168.82000113G544 R548 A549G544-D546 PolarHBondContact O-N 3.29Å; D546-R548 PolarHBondContact O-N 3.26Å; D546-R548 VanDerWaalsContact O-N 3.07Å; D546-R548 VanDerWaalsContact OD1-CB 3.31Å; D546-R548 WeakPolarHBondContact OD1-CB 3.21Å; D546-R548 VanDerWaalsContact OD1-CG 3.3Å; D546-R548 WeakPolarHBondContact OD1-CG 3.35Å; D546-R548 PolarHBondContact OD1-N 2.82Å; D546-A549 WeakPolarHBondContact O-CB 3.32Å; D546-A549 PolarHBondContact O-N 3.43Å
547L79.4Confident79.7Confident104 Ų10479.6 Ų79.655%0.54541%0.413SS..Hα-helixtrans-53.6-24.6170.7-73.8169.2000113.1F533 A549 I550 N551F533-L547 HydrophobicContact CE1-CD2 3.88Å; F533-L547 HydrophobicContact CZ-CD2 3.84Å; L547-A549 VanDerWaalsContact C-N 3.33Å; L547-I550 HydrophobicContact CD2-CG2 4.36Å; L547-I550 WeakPolarHBondContact O-CG2 3.48Å; L547-N551 WeakPolarHBondContact O-CB 3.37Å; L547-N551 PolarHBondContact O-N 2.95Å; L547-N551 VanDerWaalsContact O-N 3.08Å; L547-N551 PolarHBondContact O-ND2 3.17Å
548R79.6Confident79.7Confident195 Ų19580.1 Ų80.174%0.73642%0.416SS*.Hα-helixtrans-67-34.1174.4-60.6177-160.8-171.67.4112.2D546 N551 H552D546-R548 PolarHBondContact O-N 3.26Å; D546-R548 VanDerWaalsContact O-N 3.07Å; D546-R548 VanDerWaalsContact OD1-CB 3.31Å; D546-R548 WeakPolarHBondContact OD1-CB 3.21Å; D546-R548 VanDerWaalsContact OD1-CG 3.3Å; D546-R548 WeakPolarHBondContact OD1-CG 3.35Å; D546-R548 PolarHBondContact OD1-N 2.82Å; R548-N551 PolarHBondContact O-N 3.45Å; R548-H552 WeakPolarHBondContact O-CB 3.46Å; R548-H552 PolarHBondContact O-N 3.29Å
549A79Confident79.3Confident46 Ų4681.1 Ų81.138%0.3842%0.417SS..Hα-helixtrans-67.8-43.2-178.900000111.2D546 L547 H553D546-A549 WeakPolarHBondContact O-CB 3.32Å; D546-A549 PolarHBondContact O-N 3.43Å; L547-A549 VanDerWaalsContact C-N 3.33Å; A549-H553 WeakPolarHBondContact O-CB 3.45Å; A549-H553 PolarHBondContact O-N 2.97Å
550I84.3Confident79.1Confident20 Ų2078.1 Ų78.110%0.10340%0.404CS..Hα-helixtrans-67.1-45.6173.6-179159.8000111.9F533 I542 L547 H552 H553 V554F533-I550 HydrophobicContact CB-CB 4.31Å; F533-I550 HydrophobicContact CB-CD1 3.37Å; F533-I550 HydrophobicContact CB-CG1 4.4Å; F533-I550 HydrophobicContact CG-CD1 4.27Å; I542-I550 HydrophobicContact CD1-CB 4.19Å; I542-I550 HydrophobicContact CD1-CG1 4.19Å; L547-I550 HydrophobicContact CD2-CG2 4.36Å; L547-I550 WeakPolarHBondContact O-CG2 3.48Å; I550-H552 VanDerWaalsContact C-N 3.3Å; I550-H552 PolarHBondContact O-N 3.28Å; I550-H553 PolarHBondContact O-N 3.3Å; I550-H553 VanDerWaalsContact O-N 3.13Å; I550-V554 HydrophobicContact CG1-CG2 4.03Å; I550-V554 WeakPolarHBondContact O-CG2 3.32Å; I550-V554 PolarHBondContact O-N 3.39Å
551N82Confident77.7Confident97 Ų9776.9 Ų76.952%0.51940%0.403SS..Hα-helixtrans-60.2-42178.4-75.3-27.3000111.6L547 R548 H553 V554 D555L547-N551 WeakPolarHBondContact O-CB 3.37Å; L547-N551 PolarHBondContact O-N 2.95Å; L547-N551 VanDerWaalsContact O-N 3.08Å; L547-N551 PolarHBondContact O-ND2 3.17Å; R548-N551 PolarHBondContact O-N 3.45Å; N551-H553 PolarHBondContact O-N 3.18Å; N551-V554 PolarHBondContact O-N 3.39Å; N551-D555 WeakPolarHBondContact O-CB 3.44Å; N551-D555 PolarHBondContact O-N 2.88Å
552H82.7Confident76.5Confident129 Ų12974.6 Ų74.660%0.59740%0.397SS*.Hα-helixtrans-61.6-44175.1-176.363.2000112.1R548 I550 D555 V556R548-H552 WeakPolarHBondContact O-CB 3.46Å; R548-H552 PolarHBondContact O-N 3.29Å; I550-H552 VanDerWaalsContact C-N 3.3Å; I550-H552 PolarHBondContact O-N 3.28Å; H552-D555 PolarHBondContact O-N 2.86Å; H552-V556 VanDerWaalsContact O-CG2 3.32Å; H552-V556 WeakPolarHBondContact O-CG2 3.21Å; H552-V556 PolarHBondContact O-N 3.35Å
553H85.6Confident75.8Confident40 Ų4075.9 Ų75.919%0.18540%0.404CS..Hα-helixtrans-64.9-40.6176.8174.892.3000112.3C535 C538 I542 A549 I550 N551 V556 C557C535-H553 WeakPolarHBondContact CB-CD2 3.43Å; C535-H553 VanDerWaalsContact CB-NE2 3.32Å; C535-H553 WeakPolarHBondContact CB-NE2 3.33Å; C535-H553 PolarHBondContact SG-CD2 2.93Å; C535-H553 PolarHBondContact SG-NE2 3.36Å; C538-H553 PolarHBondContact SG-NE2 3.07Å; I542-H553 HydrophobicContact CD1-CB 3.43Å; I542-H553 VanDerWaalsContact CD1-CB 3.43Å; I542-H553 VanDerWaalsContact CD1-CG 3.41Å; A549-H553 WeakPolarHBondContact O-CB 3.45Å; A549-H553 PolarHBondContact O-N 2.97Å; I550-H553 PolarHBondContact O-N 3.3Å; I550-H553 VanDerWaalsContact O-N 3.13Å; N551-H553 PolarHBondContact O-N 3.18Å; H553-V556 PolarHBondContact O-N 3.48Å; H553-C557 VanDerWaalsContact CE1-SG 3.58Å; H553-C557 PolarHBondContact NE2-SG 3.13Å; H553-C557 WeakPolarHBondContact O-CB 3.23Å; H553-C557 PolarHBondContact O-N 2.83Å; H553-C557 PolarHBondContact O-SG 3.33Å
554V85.5Confident75.1Confident26 Ų2673.9 Ų73.916%0.15840%0.397CS..Hα-helixtrans-62.7-44.3175.51720000110.4P536 I537 I550 N551 V556 C557 L558P536-V554 HydrophobicContact CG-CG2 4.46Å; I537-V554 HydrophobicContact CG1-CG1 4.46Å; I550-V554 HydrophobicContact CG1-CG2 4.03Å; I550-V554 WeakPolarHBondContact O-CG2 3.32Å; I550-V554 PolarHBondContact O-N 3.39Å; N551-V554 PolarHBondContact O-N 3.39Å; V554-V556 VanDerWaalsContact C-N 3.33Å; V554-V556 PolarHBondContact O-N 3.31Å; V554-C557 PolarHBondContact O-N 3.08Å; V554-L558 HydrophobicContact CG1-CD1 3.92Å; V554-L558 HydrophobicContact CG1-CG 4.34Å; V554-L558 WeakPolarHBondContact O-CB 2.97Å; V554-L558 VanDerWaalsContact O-CG 3.27Å; V554-L558 WeakPolarHBondContact O-CG 3.41Å; V554-L558 PolarHBondContact O-N 3.22Å
555D82.7Confident74.8Confident93 Ų9380 Ų8050%0.49742%0.42SS..Hα-helixtrans-60.1-41.6175.2-77.2-25000112N551 H552 N559N551-D555 WeakPolarHBondContact O-CB 3.44Å; N551-D555 PolarHBondContact O-N 2.88Å; H552-D555 PolarHBondContact O-N 2.86Å; D555-N559 PolarHBondContact O-N 2.78Å; D555-N559 PolarHBondContact O-ND2 3.2Å
556V81.1Confident74.3Confident57 Ų5780.8 Ų80.835%0.34543%0.425SS..Hα-helixtrans-66-47.6175.2171.60000110.5H552 H553 V554 L558 N559 V560 I563H552-V556 VanDerWaalsContact O-CG2 3.32Å; H552-V556 WeakPolarHBondContact O-CG2 3.21Å; H552-V556 PolarHBondContact O-N 3.35Å; H553-V556 PolarHBondContact O-N 3.48Å; V554-V556 VanDerWaalsContact C-N 3.33Å; V554-V556 PolarHBondContact O-N 3.31Å; V556-L558 VanDerWaalsContact C-N 3.32Å; V556-L558 PolarHBondContact O-N 2.94Å; V556-N559 CarbonylContact O-C 3.45Å; V556-N559 PolarHBondContact O-N 2.7Å; V556-V560 WeakPolarHBondContact O-CG2 3.48Å; V556-V560 PolarHBondContact O-N 3.35Å; V556-I563 HydrophobicContact CG1-CD1 4.17Å
557C83.2Confident72.9Confident23 Ų2386.1 Ų86.116%0.15544%0.439CS..Hα-helixtrans-59-40.2179.1-82.30000112.8I537 C538 H553 V554 N559 V560I537-C557 HydrophobicContact CB-CB 3.7Å; I537-C557 HydrophobicContact CG1-CB 4.1Å; I537-C557 HydrophobicContact CG2-CB 3.74Å; C538-C557 VanDerWaalsContact SG-SG 3.64Å; H553-C557 VanDerWaalsContact CE1-SG 3.58Å; H553-C557 PolarHBondContact NE2-SG 3.13Å; H553-C557 WeakPolarHBondContact O-CB 3.23Å; H553-C557 PolarHBondContact O-N 2.83Å; H553-C557 PolarHBondContact O-SG 3.33Å; V554-C557 PolarHBondContact O-N 3.08Å; C557-N559 PolarHBondContact O-N 3.5Å; C557-V560 WeakPolarHBondContact O-CG2 3.32Å
558L79.2Confident71.2Confident77 Ų7786.9 Ų86.940%0.40345%0.448SS..Hα-helixtrans-65.6-27.3176.2-75.4170.7000113I537 V554 V556I537-L558 HydrophobicContact CD1-CD2 3.68Å; I537-L558 HydrophobicContact CD1-CG 4.27Å; I537-L558 HydrophobicContact CG1-CD2 4.18Å; I537-L558 HydrophobicContact CG1-CG 4.26Å; V554-L558 HydrophobicContact CG1-CD1 3.92Å; V554-L558 HydrophobicContact CG1-CG 4.34Å; V554-L558 WeakPolarHBondContact O-CB 2.97Å; V554-L558 VanDerWaalsContact O-CG 3.27Å; V554-L558 WeakPolarHBondContact O-CG 3.41Å; V554-L558 PolarHBondContact O-N 3.22Å; V556-L558 VanDerWaalsContact C-N 3.32Å; V556-L558 PolarHBondContact O-N 2.94Å
559N79.2Confident69.3Low85 Ų8580.8 Ų80.846%0.45545%0.446SS..THydrogen-bonded Turntrans-106.29.7-175.6-68.9-60.2000113.5D555 V556 C557 S561 A562 I563D555-N559 PolarHBondContact O-N 2.78Å; D555-N559 PolarHBondContact O-ND2 3.2Å; V556-N559 CarbonylContact O-C 3.45Å; V556-N559 PolarHBondContact O-N 2.7Å; C557-N559 PolarHBondContact O-N 3.5Å; N559-S561 VanDerWaalsContact C-N 3.27Å; N559-S561 PolarHBondContact O-N 3.37Å; N559-A562 CarbonylContact O-C 3.59Å; N559-A562 PolarHBondContact O-N 3.5Å; N559-I563 HydrophobicContact CB-CD1 4.2Å; N559-I563 HydrophobicContact CB-CG1 4.43Å; N559-I563 VanDerWaalsContact O-CG1 3.29Å; N559-I563 WeakPolarHBondContact O-CG1 3.41Å; N559-I563 PolarHBondContact O-N 3.17Å
560V78.7Confident66.9Low60 Ų6082.4 Ų82.436%0.36445%0.454SS..Hα-helixtrans-53-45.6-177.2170.80000111.5V556 C557 A562 I563 E564V556-V560 WeakPolarHBondContact O-CG2 3.48Å; V556-V560 PolarHBondContact O-N 3.35Å; C557-V560 WeakPolarHBondContact O-CG2 3.32Å; V560-A562 PolarHBondContact O-N 2.79Å; V560-I563 CarbonylContact O-C 3.58Å; V560-I563 PolarHBondContact O-N 3.49Å; V560-I563 VanDerWaalsContact O-N 3.16Å; V560-E564 HydrophobicContact CG1-CG 4.26Å; V560-E564 WeakPolarHBondContact O-CB 3.46Å; V560-E564 WeakPolarHBondContact O-CG 3.3Å; V560-E564 PolarHBondContact O-N 2.92Å
561S55.3Low64.3Low73 Ų7387.4 Ų87.451%0.5148%0.48SS..Hα-helixtrans-63.3-40.1177.848.10000113N559 I563 E564 E565N559-S561 VanDerWaalsContact C-N 3.27Å; N559-S561 PolarHBondContact O-N 3.37Å; S561-I563 VanDerWaalsContact C-N 3.35Å; S561-E564 PolarHBondContact O-N 3.42Å; S561-E565 WeakPolarHBondContact O-CB 3.31Å; S561-E565 WeakPolarHBondContact O-CG 3.38Å; S561-E565 PolarHBondContact O-N 3.43Å
562A58.3Low61.7Low41 Ų4188.1 Ų88.134%0.33950%0.499SS..Hα-helixtrans-68.2-34.5174.500000112.1N559 V560 L566N559-A562 CarbonylContact O-C 3.59Å; N559-A562 PolarHBondContact O-N 3.5Å; V560-A562 PolarHBondContact O-N 2.79Å; A562-L566 WeakPolarHBondContact O-CB 3.41Å; A562-L566 WeakPolarHBondContact O-CD1 3.31Å; A562-L566 VanDerWaalsContact O-CG 3.23Å; A562-L566 WeakPolarHBondContact O-CG 3.2Å; A562-L566 PolarHBondContact O-N 3Å; A562-L566 VanDerWaalsContact O-N 3.1Å
563I63.4Low59Low57 Ų5787.2 Ų87.229%0.29250%0.502SS..Hα-helixtrans-69.9-39175.5-66.5164.6000110.5V556 N559 V560 S561 L566 R567V556-I563 HydrophobicContact CG1-CD1 4.17Å; N559-I563 HydrophobicContact CB-CD1 4.2Å; N559-I563 HydrophobicContact CB-CG1 4.43Å; N559-I563 VanDerWaalsContact O-CG1 3.29Å; N559-I563 WeakPolarHBondContact O-CG1 3.41Å; N559-I563 PolarHBondContact O-N 3.17Å; V560-I563 CarbonylContact O-C 3.58Å; V560-I563 PolarHBondContact O-N 3.49Å; V560-I563 VanDerWaalsContact O-N 3.16Å; S561-I563 VanDerWaalsContact C-N 3.35Å; I563-L566 PolarHBondContact O-N 3.48Å; I563-R567 WeakPolarHBondContact O-CB 3.24Å; I563-R567 WeakPolarHBondContact O-CG 3.38Å; I563-R567 PolarHBondContact O-N 3.35Å
564E58Low56.4Low111 Ų11190.5 Ų90.552%0.51953%0.53SS..Hα-helixtrans-69.8-39.4176.1-75.5178168.200112.4V560 S561 L566 R567 T568V560-E564 HydrophobicContact CG1-CG 4.26Å; V560-E564 WeakPolarHBondContact O-CB 3.46Å; V560-E564 WeakPolarHBondContact O-CG 3.3Å; V560-E564 PolarHBondContact O-N 2.92Å; S561-E564 PolarHBondContact O-N 3.42Å; E564-L566 VanDerWaalsContact C-N 3.29Å; E564-L566 PolarHBondContact O-N 3.07Å; E564-R567 PolarHBondContact O-N 2.87Å; E564-T568 WeakPolarHBondContact O-CB 3.29Å; E564-T568 WeakPolarHBondContact O-CG2 3.28Å; E564-T568 PolarHBondContact O-N 3.2Å; E564-T568 PolarHBondContact O-OG1 3.09Å
565E57.3Low53.6Low147 Ų14798.4 Ų98.469%0.68757%0.565SS**Hα-helixtrans-61.2-37.8170.8-77.2-179.8-175.300111.6S561 T568 G569S561-E565 WeakPolarHBondContact O-CB 3.31Å; S561-E565 WeakPolarHBondContact O-CG 3.38Å; S561-E565 PolarHBondContact O-N 3.43Å; E565-T568 PolarHBondContact O-OG1 3.47Å; E565-G569 PolarHBondContact O-N 3.41Å
566L50.3Low51Low134 Ų13497.2 Ų97.270%0.70258%0.575SS**Hα-helixtrans-72.1-31.2174.7-72.7169.2000113.1A562 I563 E564A562-L566 WeakPolarHBondContact O-CB 3.41Å; A562-L566 WeakPolarHBondContact O-CD1 3.31Å; A562-L566 VanDerWaalsContact O-CG 3.23Å; A562-L566 WeakPolarHBondContact O-CG 3.2Å; A562-L566 PolarHBondContact O-N 3Å; A562-L566 VanDerWaalsContact O-N 3.1Å; I563-L566 PolarHBondContact O-N 3.48Å; E564-L566 VanDerWaalsContact C-N 3.29Å; E564-L566 PolarHBondContact O-N 3.07Å
567R45.6Very low48.4Very low193 Ų193104 Ų10473%0.72860%0.603SS**Hα-helixtrans-75.7-39.1176.9-78.4177.5176.4-174.1-0.5112.4I563 E564 G569I563-R567 WeakPolarHBondContact O-CB 3.24Å; I563-R567 WeakPolarHBondContact O-CG 3.38Å; I563-R567 PolarHBondContact O-N 3.35Å; E564-R567 PolarHBondContact O-N 2.87Å; R567-G569 VanDerWaalsContact C-N 3.33Å
568T44.9Very low45.7Very low121 Ų121107.8 Ų107.874%0.74264%0.636SS**Hα-helixtrans-76.8-19.1178.251.90000113.2E564 E565 S570E564-T568 WeakPolarHBondContact O-CB 3.29Å; E564-T568 WeakPolarHBondContact O-CG2 3.28Å; E564-T568 PolarHBondContact O-N 3.2Å; E564-T568 PolarHBondContact O-OG1 3.09Å; E565-T568 PolarHBondContact O-OG1 3.47Å; T568-S570 VanDerWaalsContact C-N 3.26Å; T568-S570 PolarHBondContact O-N 2.99Å
569G38.3Very low43.4Very low66 Ų66109.1 Ų109.168%0.6865%0.652SS**THydrogen-bonded Turntrans-76.90.7173.300000115.7E565 R567E565-G569 PolarHBondContact O-N 3.41Å; R567-G569 VanDerWaalsContact C-N 3.33Å
570S30.1Very low41Very low80 Ų80110.4 Ų110.456%0.55967%0.667SS**SBendtrans-130.8114.9178.1-67.80000110.9T568T568-S570 VanDerWaalsContact C-N 3.26Å; T568-S570 PolarHBondContact O-N 2.99Å
571I29.7Very low38.6Very low126 Ų126112.3 Ų112.365%0.64668%0.684SS**  trans82.486164.3-48.9172.5000114.8V573I571-V573 HydrophobicContact CG2-CB 3.71Å; I571-V573 HydrophobicContact CG2-CG2 3.66Å
572A25.6Very low37.5Very low111 Ų111117 Ų11792%0.91770%0.702SS**  trans-8989.4137.500000107
573V27.3Very low36Very low110 Ų110122.7 Ų122.767%0.66773%0.726SS**  trans-108.5103.2160.7169.80000104.9I571 Q575I571-V573 HydrophobicContact CG2-CB 3.71Å; I571-V573 HydrophobicContact CG2-CG2 3.66Å; V573-Q575 PolarHBondContact O-N 3.22Å
574S29.8Very low34.5Very low110 Ų110125.9 Ų125.977%0.76975%0.75SS**  trans-54.1117.3165.750.30000108.7G576S574-G576 VanDerWaalsContact C-N 3.29Å; S574-G576 PolarHBondContact O-N 3.02Å
575Q28.4Very low33Very low192 Ų192124.3 Ų124.390%0.89776%0.756SS**  trans-70.195.5159.7-75.2-173.1-1400107.2V573 Q577V573-Q575 PolarHBondContact O-N 3.22Å; Q575-Q577 PolarHBondContact O-N 2.71Å
576G28Very low31.8Very low68 Ų68124.2 Ų124.270%0.70176%0.761SS**  trans-70.9119.5161.100000108.5S574 A578S574-G576 VanDerWaalsContact C-N 3.29Å; S574-G576 PolarHBondContact O-N 3.02Å; G576-A578 PolarHBondContact O-N 3.35Å
577Q25.6Very low30.9Very low198 Ų198124 Ų12493%0.92577%0.765SS**  trans-64.3123.1157.7-75.4175-38.500107.7Q575Q575-Q577 PolarHBondContact O-N 2.71Å
578A27Very low30.2Very low104 Ų104119.7 Ų119.786%0.8677%0.771SS**  trans-118.1109.9168.100000108.6G576G576-A578 PolarHBondContact O-N 3.35Å
579S30.3Very low29.7Very low104 Ų104118.9 Ų118.973%0.72778%0.776SS**  trans-141.7111.9155.955.20000107.4
580S28.9Very low29.3Very low112 Ų112119.2 Ų119.278%0.78378%0.78SS**  trans42122.315161.30000117.8
581S29Very low29.4Very low101 Ų101124.8 Ų124.871%0.70679%0.794SS**  cis169.315647.942.10000109.3
582L31.5Very low29.2Very low171 Ų171130.4 Ų130.490%0.89581%0.807SS**  trans78.2113.1157.3-63.1158.4000120.6
583L26.3Very low29.3Very low161 Ų161129.5 Ų129.584%0.84380%0.8SS**  trans-71.6173.9159.2-77173.4000110.7
584P33Very low29.3Very low123 Ų123129.7 Ų129.780%0.79981%0.812SS**  cis-150.5177.434.639.4-15000120.4
585A26.8Very low29.3Very low78 Ų78130.8 Ų130.865%0.64582%0.815SS**  trans-26.1145.6171.300000120
586D31.7Very low29.1Very low146 Ų146127.5 Ų127.578%0.78181%0.812SS**  -172.7135.6105.7-98.3-26.1000116.3
587T31.2Very low29Very low128 Ų128130.2 Ų130.279%0.78582%0.819SS**  trans65.2123.6143.857.90000125.2
588A30.9Very low29.1Very low104 Ų104125.3 Ų125.386%0.8681%0.812SS**  trans110.8136.6130.500000120.8
589A34.5Very low29.2Very low103 Ų103126.9 Ų126.985%0.85180%0.804SS**  trans90.685.6162.900000120.4
590G29.1Very low29.1Very low74 Ų74127.6 Ų127.676%0.76381%0.809SS**  64.395.997.500000121.3
591K31.8Very low29.2Very low197 Ų197131.3 Ų131.386%0.85781%0.811SS**  trans76.5103.8138.2-67.1179.6-179.7173.90121.3
592R26.6Very low29.1Very low244 Ų244136.7 Ų136.792%0.92182%0.816SS**  73.488.4126.9-68.2-177.1175-177.4-2118.8
593A28.6Very low29.1Very low92 Ų92134.6 Ų134.676%0.7681%0.812SS**  trans-117.3127.7143.900000108.9T595A593-T595 PolarHBondContact O-N 3.32Å
594A27Very low29.4Very low113 Ų113138.5 Ų138.593%0.93482%0.816SS**  trans-83.5109.9177.800000109.4
595T28.6Very low29.2Very low133 Ų133142.4 Ų142.482%0.81682%0.82SS**  trans-101.4137.8179.5-27.50000111A593A593-T595 PolarHBondContact O-N 3.32Å
596C24.7Very low29.3Very low124 Ų124146.5 Ų146.584%0.83883%0.831SS**  trans-38.8131.9173.1-750000115.2
597C26.6Very low29.2Very low125 Ų125147.7 Ų147.785%0.84583%0.831SS**  trans-91.5104.4156.7-155.70000108.3
598A27.9Very low29.1Very low94 Ų94146.8 Ų146.878%0.77783%0.828SS**  trans-85.7110.4172.300000109.1
599I28.7Very low29.3Very low138 Ų138149.7 Ų149.771%0.70883%0.827SS**  trans-90101.7167.4-64.4175.1000107K601I599-K601 HydrophobicContact CG2-CD 4.36Å; I599-K601 HydrophobicContact CG2-CG 3.97Å
600S27.9Very low29.1Very low118 Ų118153.7 Ų153.783%0.82583%0.825SS**  trans-80.8112.4166.3700000108.7
601K30.8Very low29Very low190 Ų190159.5 Ų159.583%0.82683%0.833SS**  trans-107.6114.3168-81.8-179.3-179.2179.20108.5I599I599-K601 HydrophobicContact CG2-CD 4.36Å; I599-K601 HydrophobicContact CG2-CG 3.97Å
602R27.6Very low28.9Very low215 Ų215156.6 Ų156.681%0.81183%0.832SS**PPolyproline II helixtrans-52147170.1-70.2177.3174.5-175-2.3111R604R602-R604 PolarHBondContact O-N 3.34Å
603P30.3Very low28.9Very low126 Ų126157.4 Ų157.482%0.81884%0.835SS**PPolyproline II helixtrans-71.311917129.6-30.7000109.5
604R32.4Very low29Very low243 Ų243156.2 Ų156.292%0.91783%0.831SS**PPolyproline II helixtrans-72.6125.3169.6-83-174-179.7-158.7-0.2109.1R602 L606R602-R604 PolarHBondContact O-N 3.34Å; R604-L606 PolarHBondContact O-N 2.99Å
605K28.7Very low29.1Very low205 Ų205158.8 Ų158.889%0.89183%0.829SS**PPolyproline II helixtrans-59.3121164.2-79.9179.1173.9179.30108.9Q607K605-Q607 PolarHBondContact O-N 3.5Å
606L30.6Very low29.1Very low164 Ų164160.5 Ų160.586%0.85983%0.833SS**PPolyproline II helixtrans-69.1123.1165.7-80.1156.3000108.5R604R604-L606 PolarHBondContact O-N 2.99Å
607Q29.5Very low29.3Very low171 Ų171162 Ų16280%0.79983%0.832SS**PPolyproline II helixtrans-80.6150.5171.3-73-170.8-10.600110.4K605 I609K605-Q607 PolarHBondContact O-N 3.5Å; Q607-I609 PolarHBondContact O-N 3.38Å
608P28.2Very low29.4Very low109 Ų109163.4 Ų163.471%0.70883%0.831SS**PPolyproline II helixtrans-70.6126.5-179.627.6-31.6000111.3K610P608-K610 PolarHBondContact O-N 3.22Å
609I34.6Very low29.6Very low165 Ų165169.7 Ų169.785%0.84684%0.836SS**PPolyproline II helixtrans-69.3126174.1-64.4172.1000108.8Q607Q607-I609 PolarHBondContact O-N 3.38Å
610K31.1Very low29.6Very low188 Ų188173.4 Ų173.482%0.81785%0.847SS**PPolyproline II helixtrans-66.3127.6170.8-74.7-178.6176.2-179.70109.2P608 T612P608-K610 PolarHBondContact O-N 3.22Å; K610-T612 PolarHBondContact O-N 3.46Å
611Q27.1Very low29.7Very low195 Ų195172.6 Ų172.691%0.91185%0.848SS**PPolyproline II helixtrans-56.8117.1169.6-77173.4-3600109.7
612T30Very low29.7Very low136 Ų136172.4 Ų172.483%0.83485%0.85SS**  trans-123116.1156.233.70000106.8K610 G614K610-T612 PolarHBondContact O-N 3.46Å; T612-G614 PolarHBondContact O-N 2.99Å
613R26.8Very low30.3Very low262 Ų262167.7 Ų167.799%0.98985%0.847SS**  trans-68.2114.1169.6-82.6175.2158.7171.6-7.2107.2
614G29.7Very low30.3Very low67 Ų67174.6 Ų174.669%0.69187%0.868SS**  trans-151.1128.6171.200000108.9T612T612-G614 PolarHBondContact O-N 2.99Å
615N30Very low30.2Very low167 Ų167171.2 Ų171.289%0.89387%0.866SS**  trans-52.7130.9-169.8-81.2-26.3000114L617N615-L617 PolarHBondContact O-N 3.47Å
616L28Very low30.3Very low169 Ų169169.4 Ų169.489%0.88587%0.865SS**SBendtrans-90.781.5170.4-106.4142.4000108.8
617L28.5Very low30.3Very low155 Ų155169.7 Ų169.781%0.81287%0.865SS**  trans-139.20.1166.9-92.2176.3000115.8N615N615-L617 PolarHBondContact O-N 3.47Å
618D29.5Very low30.3Very low155 Ų155169.6 Ų169.683%0.82987%0.869SS**  trans-124.561.5-175-69.7-36.6000114.1
619Y32.8Very low30.5Very low225 Ų225173.4 Ų173.488%0.88288%0.879SS**  trans-125.816.8169.8-104.2-86.4000115.2
620F28.5Very low30.2Very low216 Ų216174 Ų17495%0.94788%0.881SS**  trans-121.878.6170.6-74-76.3000111.3
621A30Very low30.1Very low101 Ų101173 Ų17384%0.83589%0.886SS**  trans-159.3103.7155.200000109.6
622Q30.7Very low30.4Very low187 Ų187171.3 Ų171.387%0.87488%0.884SS**  trans-69.5168.3161.1-95.6-173.7-9.500109.9
623P39.7Very low30.4Very low116 Ų116174.3 Ų174.375%0.75389%0.888SS**  cis-155.9149.246.638.9-15.8000119.9
624Q30.8Very low30.7Very low271 Ų271166.3 Ų166.3100%1.26688%0.879SS**  172.40126.1-94.2-165.1100110.6

Retrieved 624 of 624 residues in 838.3 ms (Link to these results)

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