A0A077ZGQ0_TRITR Loading...

Chloride channel protein 2

AlphaFold DB , UniProt , Accession A0A077ZGQ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 235 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
1M80Confident89.5Confident206 Ų206105.6 Ų105.6100%1.01551%0.512SS*.  0130.70-71.1175.315600108.6R186 L187M1-R186 VanDerWaalsContact O-CA 3.29Å; M1-R186 WeakPolarHBondContact O-CA 3.33Å; M1-L187 PolarHBondContact O-N 2.66Å
2I88.6Confident89.7Confident123 Ų123102.4 Ų102.463%0.63150%0.499SS*.BIsolated β-bridgetrans-84.4135.3171.6-63.5170.6000106.6I4 G185I2-I4 PolarHBondContact O-N 2.72Å; I2-G185 WeakPolarHBondContact CA-O 3.4Å
3L88.8Confident89.9Confident35 Ų35100 Ų10018%0.18349%0.486CS..  trans-73.6110173.7-174.964000108.2G5 P155 Y180 T182 G185 L187L3-G5 WeakPolarHBondContact CD1-O 3.39Å; L3-P155 HydrophobicContact CD2-CG 4.26Å; L3-Y180 HydrophobicContact CD2-CG 4.35Å; L3-T182 HydrophobicContact CB-CG2 4.48Å; L3-T182 HydrophobicContact CD2-CG2 4.08Å; L3-G185 PolarHBondContact N-O 2.79Å; L3-L187 HydrophobicContact CB-CB 4.4Å
4I89.2Confident90Very high141 Ų14199.2 Ų99.272%0.72348%0.484SS*.  trans-86.3-32.1178.9-61.7170.2000110.5I2I2-I4 PolarHBondContact O-N 2.72Å
5G90.7Very high90Very high16 Ų1695.3 Ų95.317%0.16547%0.466CS..  trans170.6-16618000000111L3 D152L3-G5 WeakPolarHBondContact CD1-O 3.39Å; G5-D152 CarbonylContact C-O 3.54Å; G5-D152 WeakPolarHBondContact CA-O 2.83Å
6S89.7Confident90Very high21 Ų2195.2 Ų95.215%0.14747%0.468CS..BIsolated β-bridgetrans-128.6150.5176.877.20000111.9D152S6-D152 PolarHBondContact N-O 2.84Å; S6-D152 PolarHBondContact O-N 3.32Å
7I91.6Very high90.1Very high59 Ų5994.4 Ų94.430%0.30346%0.462SS..  trans-120.5131.9172.5-60.1172.4000107Q11 L12 I150 I151I7-Q11 HydrophobicContact CG2-CB 4.11Å; I7-Q11 HydrophobicContact CG2-CG 4.34Å; I7-L12 HydrophobicContact CG2-CB 4.23Å; I7-I150 HydrophobicContact CD1-CD1 3.93Å; I7-I150 HydrophobicContact CD1-CG1 4.11Å; I7-I150 HydrophobicContact CG1-CG1 4.28Å; I7-I150 HydrophobicContact CG2-CD1 4.47Å; I7-I151 HydrophobicContact CD1-CG1 4.04Å; I7-I151 HydrophobicContact CG1-CG1 4.01Å
8K90.8Very high90Very high169 Ų16995 Ų9574%0.73547%0.468SS*.  trans-64.1138.1174.5-69.6-179.2-176.9170.30109.5L10 Q11 L12K8-L10 VanDerWaalsContact C-N 3.27Å; K8-L10 PolarHBondContact O-N 2.77Å; K8-Q11 HydrophobicContact CB-CB 4.47Å; K8-Q11 WeakPolarHBondContact O-CB 3.49Å; K8-Q11 PolarHBondContact O-N 3.11Å; K8-L12 PolarHBondContact O-N 3.22Å; K8-L12 VanDerWaalsContact O-N 3.11Å
9R91.3Very high90Very high190 Ų19091.7 Ų91.772%0.71745%0.452SS*.Hα-helixtrans-50.6-45.7178.8179.9176.9172.3102.314.4112.8Q11 L12 E13R9-Q11 VanDerWaalsContact C-N 3.31Å; R9-Q11 PolarHBondContact O-N 2.74Å; R9-L12 WeakPolarHBondContact O-CB 3.41Å; R9-L12 PolarHBondContact O-N 3.43Å; R9-E13 HydrophobicContact CG-CG 4.26Å; R9-E13 IonicContact CZ-OE1 3.3Å; R9-E13 IonicContact NE-OE1 3.11Å; R9-E13 PolarHBondContact NE-OE1 3.49Å; R9-E13 IonicContact NH2-OE1 2.82Å; R9-E13 PolarHBondContact NH2-OE1 3.19Å; R9-E13 WeakPolarHBondContact O-CG 3.41Å; R9-E13 PolarHBondContact O-N 3.18Å
10L92.3Very high90.1Very high126 Ų12688.8 Ų88.866%0.6644%0.439SS*.Hα-helixtrans-58.8-41.2178.8-66.4176.4000112.4K8 L12 E13 L14K8-L10 VanDerWaalsContact C-N 3.27Å; K8-L10 PolarHBondContact O-N 2.77Å; L10-L12 VanDerWaalsContact C-N 3.35Å; L10-E13 PolarHBondContact O-N 3.13Å; L10-L14 WeakPolarHBondContact O-CG 3.29Å; L10-L14 PolarHBondContact O-N 2.97Å
11Q91.9Very high90.1Very high76 Ų7685 Ų8536%0.35542%0.423SS..Hα-helixtrans-66.2-41.5178.6-172.266.8300111.1I7 K8 R9 L14 L15 I150I7-Q11 HydrophobicContact CG2-CB 4.11Å; I7-Q11 HydrophobicContact CG2-CG 4.34Å; K8-Q11 HydrophobicContact CB-CB 4.47Å; K8-Q11 WeakPolarHBondContact O-CB 3.49Å; K8-Q11 PolarHBondContact O-N 3.11Å; R9-Q11 VanDerWaalsContact C-N 3.31Å; R9-Q11 PolarHBondContact O-N 2.74Å; Q11-L14 PolarHBondContact O-N 3.33Å; Q11-L15 HydrophobicContact CG-CD1 4.26Å; Q11-L15 WeakPolarHBondContact O-CD1 3.35Å; Q11-L15 VanDerWaalsContact O-CG 3.26Å; Q11-L15 WeakPolarHBondContact O-CG 3.43Å; Q11-L15 PolarHBondContact O-N 2.88Å; Q11-I150 HydrophobicContact CG-CB 4.09Å; Q11-I150 HydrophobicContact CG-CG2 4.21Å
12L92.1Very high90.5Very high67 Ų6778.2 Ų78.235%0.35139%0.394SS..Hα-helixtrans-63.9-42.2174.8-177.662.9000111.5I7 K8 R9 L10 L15 L16 F146I7-L12 HydrophobicContact CG2-CB 4.23Å; K8-L12 PolarHBondContact O-N 3.22Å; K8-L12 VanDerWaalsContact O-N 3.11Å; R9-L12 WeakPolarHBondContact O-CB 3.41Å; R9-L12 PolarHBondContact O-N 3.43Å; L10-L12 VanDerWaalsContact C-N 3.35Å; L12-L15 PolarHBondContact O-N 3.38Å; L12-L16 HydrophobicContact CD1-CD1 4.43Å; L12-L16 HydrophobicContact CD1-CG 4.42Å; L12-L16 HydrophobicContact CG-CD1 4.11Å; L12-L16 WeakPolarHBondContact O-CB 3.18Å; L12-L16 VanDerWaalsContact O-CG 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.3Å; L12-L16 PolarHBondContact O-N 3.14Å; L12-F146 HydrophobicContact CD1-CE1 3.96Å; L12-F146 HydrophobicContact CD1-CZ 4.12Å
13E92.4Very high90.6Very high71 Ų7175.2 Ų75.233%0.33238%0.382SS..Hα-helixtrans-60-46.5176.4-75.5172.8169.200111.5R9 L10 L15 L16 E17R9-E13 HydrophobicContact CG-CG 4.26Å; R9-E13 IonicContact CZ-OE1 3.3Å; R9-E13 IonicContact NE-OE1 3.11Å; R9-E13 PolarHBondContact NE-OE1 3.49Å; R9-E13 IonicContact NH2-OE1 2.82Å; R9-E13 PolarHBondContact NH2-OE1 3.19Å; R9-E13 WeakPolarHBondContact O-CG 3.41Å; R9-E13 PolarHBondContact O-N 3.18Å; L10-E13 PolarHBondContact O-N 3.13Å; E13-L15 VanDerWaalsContact C-N 3.34Å; E13-L15 PolarHBondContact O-N 2.99Å; E13-L16 PolarHBondContact O-N 3.25Å; E13-E17 WeakPolarHBondContact O-CB 3.42Å; E13-E17 PolarHBondContact O-N 2.87Å
14L90.8Very high90.7Very high89 Ų8974.1 Ų74.147%0.46638%0.378SS..Hα-helixtrans-61.1-41.6176.5-71.9171.8000112.4L10 Q11 E17 N18L10-L14 WeakPolarHBondContact O-CG 3.29Å; L10-L14 PolarHBondContact O-N 2.97Å; Q11-L14 PolarHBondContact O-N 3.33Å; L14-E17 PolarHBondContact O-N 3Å; L14-N18 VanDerWaalsContact O-CB 3.31Å; L14-N18 WeakPolarHBondContact O-CB 3.08Å; L14-N18 PolarHBondContact O-N 2.92Å; L14-N18 PolarHBondContact O-ND2 3.03Å
15L90Very high90.8Very high41 Ų4169 Ų6922%0.21535%0.349CS..Hα-helixtrans-65.5-40.7177.6-71.7165.7000111.8Q11 L12 E13 H19 F146 I150Q11-L15 HydrophobicContact CG-CD1 4.26Å; Q11-L15 WeakPolarHBondContact O-CD1 3.35Å; Q11-L15 VanDerWaalsContact O-CG 3.26Å; Q11-L15 WeakPolarHBondContact O-CG 3.43Å; Q11-L15 PolarHBondContact O-N 2.88Å; L12-L15 PolarHBondContact O-N 3.38Å; E13-L15 VanDerWaalsContact C-N 3.34Å; E13-L15 PolarHBondContact O-N 2.99Å; L15-H19 WeakPolarHBondContact O-CB 3.32Å; L15-H19 PolarHBondContact O-N 2.9Å; L15-H19 VanDerWaalsContact O-N 3.09Å; L15-F146 HydrophobicContact CB-CE1 4.42Å; L15-F146 HydrophobicContact CD1-CD1 3.84Å; L15-F146 HydrophobicContact CD1-CE1 4Å; L15-I150 HydrophobicContact CD1-CD1 3.31Å
16L90.2Very high90.8Very high93 Ų9370.1 Ų70.149%0.48735%0.35SS..Hα-helixtrans-67.4-40.3175-69.9172.6000111.8L12 E13 N18 H19 V20 G21L12-L16 HydrophobicContact CD1-CD1 4.43Å; L12-L16 HydrophobicContact CD1-CG 4.42Å; L12-L16 HydrophobicContact CG-CD1 4.11Å; L12-L16 WeakPolarHBondContact O-CB 3.18Å; L12-L16 VanDerWaalsContact O-CG 3.28Å; L12-L16 WeakPolarHBondContact O-CG 3.3Å; L12-L16 PolarHBondContact O-N 3.14Å; E13-L16 PolarHBondContact O-N 3.25Å; L16-N18 VanDerWaalsContact C-N 3.33Å; L16-N18 PolarHBondContact O-N 3.31Å; L16-H19 PolarHBondContact O-N 2.91Å; L16-V20 PolarHBondContact O-N 3.24Å; L16-G21 PolarHBondContact O-N 3.37Å
17E90.7Very high90.9Very high81 Ų8178 Ų7838%0.37938%0.376SS..Hα-helixtrans-65.1-38178-175.1167.8-168.600112.1E13 L14 H19 G21 T23E13-E17 WeakPolarHBondContact O-CB 3.42Å; E13-E17 PolarHBondContact O-N 2.87Å; L14-E17 PolarHBondContact O-N 3Å; E17-H19 VanDerWaalsContact C-N 3.32Å; E17-G21 WeakPolarHBondContact O-CA 2.97Å; E17-G21 PolarHBondContact O-N 2.66Å; E17-T23 PolarHBondContact OE1-OG1 2.66Å
18N89.3Confident90.9Very high106 Ų10678.1 Ų78.157%0.56738%0.375SS*.Hα-helixtrans-73.9-20.1175.2-72.6-18.9000113.7L14 L16 A24L14-N18 VanDerWaalsContact O-CB 3.31Å; L14-N18 WeakPolarHBondContact O-CB 3.08Å; L14-N18 PolarHBondContact O-N 2.92Å; L14-N18 PolarHBondContact O-ND2 3.03Å; L16-N18 VanDerWaalsContact C-N 3.33Å; L16-N18 PolarHBondContact O-N 3.31Å; N18-A24 WeakPolarHBondContact O-CB 3.47Å
19H89.9Confident90.9Very high33 Ų3370.3 Ų70.315%0.15334%0.343CS..Hα-helixtrans-94.8-53.1179.9-168.660.2000113.1L15 L16 E17 K139 E142 V144L15-H19 WeakPolarHBondContact O-CB 3.32Å; L15-H19 PolarHBondContact O-N 2.9Å; L15-H19 VanDerWaalsContact O-N 3.09Å; L16-H19 PolarHBondContact O-N 2.91Å; E17-H19 VanDerWaalsContact C-N 3.32Å; H19-K139 PolarHBondContact NE2-O 3.35Å; H19-E142 IonicContact CE1-OE2 3.36Å; H19-E142 PolarHBondContact CE1-OE2 3.12Å; H19-V144 HydrophobicContact CB-CG2 4.36Å; H19-V144 WeakPolarHBondContact CD2-CG2 2.98Å; H19-V144 VanDerWaalsContact NE2-CG2 3.26Å; H19-V144 WeakPolarHBondContact NE2-CG2 3.36Å
20V90.9Very high90.9Very high32 Ų3264.6 Ų64.619%0.19433%0.326CS..THydrogen-bonded Turntrans-123.1-7.1-174.7-164.50000112.2L16 K139 L140L16-V20 PolarHBondContact O-N 3.24Å; V20-K139 HydrophobicContact CG2-CB 4.29Å; V20-L140 HydrophobicContact CG1-CD2 4.12Å; V20-L140 HydrophobicContact CG1-CG 4.09Å; V20-L140 HydrophobicContact CG2-CD2 4.11Å
21G90.3Very high90.9Very high11 Ų1161 Ų6111%0.11331%0.314CS..SBendtrans-71.2176.7-17500000114.8L16 E17 T23 A24 R25L16-G21 PolarHBondContact O-N 3.37Å; E17-G21 WeakPolarHBondContact O-CA 2.97Å; E17-G21 PolarHBondContact O-N 2.66Å; G21-T23 PolarHBondContact O-N 3.3Å; G21-A24 PolarHBondContact O-N 2.92Å; G21-R25 PolarHBondContact O-N 2.88Å
22P89.5Confident90.8Very high63 Ų6360.8 Ų60.841%0.40931%0.31SS..Hα-helixtrans-56-37.2178.2-23.533.9000112.8R25 K26P22-R25 PolarHBondContact O-N 3.44Å; P22-K26 WeakPolarHBondContact O-CB 3.26Å; P22-K26 WeakPolarHBondContact O-CG 3.29Å; P22-K26 PolarHBondContact O-N 3.22Å
23T90Very high90.6Very high59 Ų5960.6 Ų60.636%0.36231%0.309SS..Hα-helixtrans-62.8-49.2179.3-54.80000111.4E17 G21 R25 K26 R27E17-T23 PolarHBondContact OE1-OG1 2.66Å; G21-T23 PolarHBondContact O-N 3.3Å; T23-R25 PolarHBondContact O-N 3.23Å; T23-K26 PolarHBondContact O-N 2.9Å; T23-R27 WeakPolarHBondContact O-CB 3.25Å; T23-R27 PolarHBondContact O-N 3.01Å
24A90.6Very high90.5Very high12 Ų1263.6 Ų63.610%0.09932%0.321CS..Hα-helixtrans-60.7-45176.200000112N18 G21 R27 E28 W135N18-A24 WeakPolarHBondContact O-CB 3.47Å; G21-A24 PolarHBondContact O-N 2.92Å; A24-R27 WeakPolarHBondContact O-CB 3.47Å; A24-R27 PolarHBondContact O-N 3.38Å; A24-E28 PolarHBondContact O-N 3.42Å; A24-W135 HydrophobicContact CB-CH2 3.8Å; A24-W135 HydrophobicContact CB-CZ2 4.34Å
25R92.7Very high90.5Very high34 Ų3464.7 Ų64.713%0.12832%0.324CS..Hα-helixtrans-62.2-45.1179.2-169.8178.964.9-141.2-4112.7G21 P22 T23 E28 A29 D126 L127 W135 E136G21-R25 PolarHBondContact O-N 2.88Å; P22-R25 PolarHBondContact O-N 3.44Å; T23-R25 PolarHBondContact O-N 3.23Å; R25-E28 WeakPolarHBondContact O-CB 3.23Å; R25-E28 PolarHBondContact O-N 3.44Å; R25-A29 PolarHBondContact O-N 3.25Å; R25-D126 WeakPolarHBondContact CD-OD1 3.37Å; R25-D126 WeakPolarHBondContact CG-OD1 3.38Å; R25-D126 IonicContact CZ-OD1 2.91Å; R25-D126 IonicContact CZ-OD2 3.7Å; R25-D126 IonicContact NE-OD1 2.68Å; R25-D126 PolarHBondContact NE-OD1 2.89Å; R25-D126 IonicContact NE-OD2 2.74Å; R25-D126 PolarHBondContact NE-OD2 2.94Å; R25-D126 VanDerWaalsContact NE-OD2 3.17Å; R25-D126 IonicContact NH2-OD1 3.81Å; R25-D126 IonicContact NH2-OD2 3.8Å; R25-D126 PolarHBondContact NH2-OD2 3.15Å; R25-L127 HydrophobicContact CG-CB 4.09Å; R25-L127 HydrophobicContact CG-CD1 4Å; R25-L127 HydrophobicContact CG-CG 4.11Å; R25-W135 HydrophobicContact CB-CE3 4.23Å; R25-W135 HydrophobicContact CB-CH2 3.99Å; R25-W135 HydrophobicContact CB-CZ3 3.68Å; R25-W135 HydrophobicContact CG-CE3 4.03Å; R25-W135 HydrophobicContact CG-CZ3 4Å; R25-E136 IonicContact CZ-OE1 2.7Å; R25-E136 IonicContact NH1-OE1 3.43Å; R25-E136 PolarHBondContact NH1-OE1 3.41Å
26K90.4Very high90.6Very high40 Ų4069.5 Ų69.517%0.17434%0.339CS..Hα-helixtrans-67-39.1176.6-73170.8172.3-171.50112P22 T23 E28 A29 L30 E122P22-K26 WeakPolarHBondContact O-CB 3.26Å; P22-K26 WeakPolarHBondContact O-CG 3.29Å; P22-K26 PolarHBondContact O-N 3.22Å; T23-K26 PolarHBondContact O-N 2.9Å; K26-E28 VanDerWaalsContact C-N 3.28Å; K26-E28 PolarHBondContact O-N 3.47Å; K26-A29 PolarHBondContact O-N 3.25Å; K26-L30 WeakPolarHBondContact O-CB 3.33Å; K26-L30 VanDerWaalsContact O-CG 3.32Å; K26-L30 WeakPolarHBondContact O-CG 3.4Å; K26-L30 PolarHBondContact O-N 2.89Å; K26-E122 HydrophobicContact CD-CG 4.03Å; K26-E122 WeakPolarHBondContact CD-O 3.19Å; K26-E122 VanDerWaalsContact CE-O 3.28Å; K26-E122 WeakPolarHBondContact CE-O 3.48Å
27R91.4Very high90.5Very high186 Ų18670.5 Ų70.570%0.70234%0.344SS*.Hα-helixtrans-58.3-43.6174.7-178-175.8171.991.2-0.4111T23 A24 L30 A31T23-R27 WeakPolarHBondContact O-CB 3.25Å; T23-R27 PolarHBondContact O-N 3.01Å; A24-R27 WeakPolarHBondContact O-CB 3.47Å; A24-R27 PolarHBondContact O-N 3.38Å; R27-L30 PolarHBondContact O-N 2.84Å; R27-A31 WeakPolarHBondContact O-CB 3.12Å; R27-A31 PolarHBondContact O-N 2.94Å
28E91.3Very high90.4Very high61 Ų6171.6 Ų71.629%0.28535%0.35SS..Hα-helixtrans-62-47.4174178.166.9-168.100111.6A24 R25 K26 L30 A31 R32 L127 W135A24-E28 PolarHBondContact O-N 3.42Å; R25-E28 WeakPolarHBondContact O-CB 3.23Å; R25-E28 PolarHBondContact O-N 3.44Å; K26-E28 VanDerWaalsContact C-N 3.28Å; K26-E28 PolarHBondContact O-N 3.47Å; E28-L30 VanDerWaalsContact C-N 3.32Å; E28-L30 PolarHBondContact O-N 3.35Å; E28-A31 WeakPolarHBondContact O-CB 3.44Å; E28-A31 PolarHBondContact O-N 3.37Å; E28-R32 WeakPolarHBondContact O-CG 3.24Å; E28-R32 PolarHBondContact O-N 3.29Å; E28-R32 IonicContact OE1-CZ 3.17Å; E28-R32 VanDerWaalsContact OE1-CZ 3.3Å; E28-R32 IonicContact OE1-NE 3.9Å; E28-R32 PolarHBondContact OE1-NE 3.11Å; E28-R32 IonicContact OE1-NH2 3.15Å; E28-R32 PolarHBondContact OE1-NH2 3.37Å; E28-L127 HydrophobicContact CG-CD1 4.17Å; E28-W135 HydrophobicContact CB-CZ2 4.3Å
29A91.7Very high90.5Very high6 Ų669.8 Ų69.85%0.0534%0.34CS..Hα-helixtrans-58.8-42.8177.600000112.3R25 K26 R32 L33 I125 L127R25-A29 PolarHBondContact O-N 3.25Å; K26-A29 PolarHBondContact O-N 3.25Å; A29-R32 PolarHBondContact O-N 3.26Å; A29-L33 PolarHBondContact O-N 2.97Å; A29-I125 HydrophobicContact CB-CG2 3.91Å; A29-L127 HydrophobicContact CB-CD2 4Å; A29-L127 HydrophobicContact CB-CG 4.15Å
30L91.4Very high90.3Very high69 Ų6974 Ų7436%0.36136%0.36SS..Hα-helixtrans-64.5-41.2175.7-73.7168.5000112.1K26 R27 E28 L33 K34 I125K26-L30 WeakPolarHBondContact O-CB 3.33Å; K26-L30 VanDerWaalsContact O-CG 3.32Å; K26-L30 WeakPolarHBondContact O-CG 3.4Å; K26-L30 PolarHBondContact O-N 2.89Å; R27-L30 PolarHBondContact O-N 2.84Å; E28-L30 VanDerWaalsContact C-N 3.32Å; E28-L30 PolarHBondContact O-N 3.35Å; L30-L33 PolarHBondContact O-N 3.01Å; L30-K34 WeakPolarHBondContact O-CB 3.32Å; L30-K34 PolarHBondContact O-N 2.87Å; L30-I125 HydrophobicContact CD2-CB 3.99Å; L30-I125 HydrophobicContact CD2-CD1 3.6Å; L30-I125 HydrophobicContact CD2-CG1 4.39Å; L30-I125 HydrophobicContact CD2-CG2 3.73Å; L30-I125 HydrophobicContact CG-CG2 3.98Å
31A90.9Very high90Very high51 Ų5176.3 Ų76.342%0.42138%0.382SS..Hα-helixtrans-60.6-46.5176.600000111R27 E28 L33 K34 E35R27-A31 WeakPolarHBondContact O-CB 3.12Å; R27-A31 PolarHBondContact O-N 2.94Å; E28-A31 WeakPolarHBondContact O-CB 3.44Å; E28-A31 PolarHBondContact O-N 3.37Å; A31-L33 VanDerWaalsContact C-N 3.34Å; A31-L33 PolarHBondContact O-N 3.24Å; A31-K34 PolarHBondContact O-N 3.19Å; A31-E35 PolarHBondContact O-N 2.74Å
32R91.1Very high89.3Confident71 Ų7183.3 Ų83.327%0.26841%0.412SS..Hα-helixtrans-61.1-39.2176-67.8-179.6-172.1-158.4-3.8112.7E28 A29 R36 E131E28-R32 WeakPolarHBondContact O-CG 3.24Å; E28-R32 PolarHBondContact O-N 3.29Å; E28-R32 IonicContact OE1-CZ 3.17Å; E28-R32 VanDerWaalsContact OE1-CZ 3.3Å; E28-R32 IonicContact OE1-NE 3.9Å; E28-R32 PolarHBondContact OE1-NE 3.11Å; E28-R32 IonicContact OE1-NH2 3.15Å; E28-R32 PolarHBondContact OE1-NH2 3.37Å; A29-R32 PolarHBondContact O-N 3.26Å; R32-R36 VanDerWaalsContact O-CG 3.31Å; R32-R36 WeakPolarHBondContact O-CG 3.43Å; R32-R36 PolarHBondContact O-N 2.81Å; R32-E131 IonicContact CZ-OE1 2.7Å; R32-E131 IonicContact NH1-OE1 2.88Å; R32-E131 PolarHBondContact NH1-OE1 2.96Å
33L88.3Confident88.3Confident63 Ų6387.5 Ų87.533%0.3343%0.426SS..Hα-helixtrans-68.9-43175.7-74.2-169.8000112.5A29 L30 A31 E35 R36 L37 I125A29-L33 PolarHBondContact O-N 2.97Å; L30-L33 PolarHBondContact O-N 3.01Å; A31-L33 VanDerWaalsContact C-N 3.34Å; A31-L33 PolarHBondContact O-N 3.24Å; L33-E35 VanDerWaalsContact C-N 3.29Å; L33-E35 PolarHBondContact O-N 3.44Å; L33-R36 PolarHBondContact O-N 2.98Å; L33-L37 WeakPolarHBondContact O-CG 3.37Å; L33-L37 PolarHBondContact O-N 3.19Å; L33-L37 VanDerWaalsContact O-N 3.08Å; L33-I125 HydrophobicContact CD1-CB 4.16Å; L33-I125 HydrophobicContact CD1-CD1 3.78Å; L33-I125 HydrophobicContact CD1-CG1 3.68Å; L33-I125 HydrophobicContact CD1-CG2 3.39Å; L33-I125 HydrophobicContact CG-CG2 4.14Å
34K89.8Confident86.5Confident134 Ų13489.1 Ų89.158%0.58344%0.439SS*.Hα-helixtrans-59.8-43177.9-176.6-179.4178.2-177.50111.1L30 A31 L37 Q38L30-K34 WeakPolarHBondContact O-CB 3.32Å; L30-K34 PolarHBondContact O-N 2.87Å; A31-K34 PolarHBondContact O-N 3.19Å; K34-L37 PolarHBondContact O-N 3.26Å; K34-Q38 WeakPolarHBondContact O-CG 3.28Å; K34-Q38 PolarHBondContact O-N 3.4Å
35E90.5Very high84.7Confident112 Ų11292.9 Ų92.952%0.52346%0.463SS..Hα-helixtrans-61.4-44.5176.4-171.3-173.7171.800111.8A31 L33 L37 Q38 N39A31-E35 PolarHBondContact O-N 2.74Å; L33-E35 VanDerWaalsContact C-N 3.29Å; L33-E35 PolarHBondContact O-N 3.44Å; E35-L37 PolarHBondContact O-N 2.84Å; E35-Q38 PolarHBondContact O-N 3.33Å; E35-N39 VanDerWaalsContact O-CG 3.28Å; E35-N39 PolarHBondContact O-N 2.87Å; E35-N39 PolarHBondContact O-ND2 3.24Å
36R91Very high82.5Confident142 Ų142101.2 Ų101.254%0.53650%0.5SS..Hα-helixtrans-58-45.8175.9-72.4172.2-173.5175.53.9112.3R32 L33 Q38 N39 E40R32-R36 VanDerWaalsContact O-CG 3.31Å; R32-R36 WeakPolarHBondContact O-CG 3.43Å; R32-R36 PolarHBondContact O-N 2.81Å; L33-R36 PolarHBondContact O-N 2.98Å; R36-Q38 VanDerWaalsContact C-N 3.33Å; R36-Q38 PolarHBondContact O-N 2.89Å; R36-N39 PolarHBondContact O-N 2.79Å; R36-E40 WeakPolarHBondContact O-CG 3.43Å; R36-E40 PolarHBondContact O-N 3.32Å
37L89.4Confident79.9Confident114 Ų114107.3 Ų107.360%0.59753%0.529SS*.Hα-helixtrans-63.7-37.9178.2-67.3174.5000112.5L33 K34 E35 A41L33-L37 WeakPolarHBondContact O-CG 3.37Å; L33-L37 PolarHBondContact O-N 3.19Å; L33-L37 VanDerWaalsContact O-N 3.08Å; K34-L37 PolarHBondContact O-N 3.26Å; E35-L37 PolarHBondContact O-N 2.84Å; L37-A41 PolarHBondContact O-N 2.84Å; L37-A41 VanDerWaalsContact O-N 3.08Å
38Q88.4Confident77.4Confident105 Ų105103.6 Ų103.649%0.49153%0.529SS..Hα-helixtrans-67.2-40.8175.7-73.3-179.4-21.500111.8K34 E35 R36 A41 Q42K34-Q38 WeakPolarHBondContact O-CG 3.28Å; K34-Q38 PolarHBondContact O-N 3.4Å; E35-Q38 PolarHBondContact O-N 3.33Å; R36-Q38 VanDerWaalsContact C-N 3.33Å; R36-Q38 PolarHBondContact O-N 2.89Å; Q38-A41 PolarHBondContact O-N 3.28Å; Q38-Q42 WeakPolarHBondContact O-CG 3.47Å; Q38-Q42 PolarHBondContact O-N 3.32Å
39N91Very high74.4Confident68 Ų68106.8 Ų106.836%0.36456%0.557SS.*Hα-helixtrans-66.8-39.7176.8-68.5-18.1000111.9E35 R36 Q42 Q43E35-N39 VanDerWaalsContact O-CG 3.28Å; E35-N39 PolarHBondContact O-N 2.87Å; E35-N39 PolarHBondContact O-ND2 3.24Å; R36-N39 PolarHBondContact O-N 2.79Å; N39-Q42 PolarHBondContact O-N 3.09Å; N39-Q43 WeakPolarHBondContact O-CB 3.46Å; N39-Q43 WeakPolarHBondContact O-CG 3.32Å; N39-Q43 PolarHBondContact O-N 2.84Å
40E86.7Confident71.7Confident122 Ų122111.1 Ų111.157%0.5759%0.587SS**Hα-helixtrans-62.4-40.8173.9-74.9173.7179.100112.1R36 Q42 Q43 S44R36-E40 WeakPolarHBondContact O-CG 3.43Å; R36-E40 PolarHBondContact O-N 3.32Å; E40-Q42 VanDerWaalsContact C-N 3.25Å; E40-Q42 PolarHBondContact O-N 3.38Å; E40-Q43 PolarHBondContact O-N 2.85Å; E40-S44 PolarHBondContact O-N 3.27Å; E40-S44 VanDerWaalsContact O-N 3.08Å
41A84.8Confident68.8Low79 Ų79113.6 Ų113.665%0.65361%0.61SS**Hα-helixtrans-63.8-30.317600000112.9L37 Q38L37-A41 PolarHBondContact O-N 2.84Å; L37-A41 VanDerWaalsContact O-N 3.08Å; Q38-A41 PolarHBondContact O-N 3.28Å
42Q75Confident66.1Low159 Ų159116.2 Ų116.274%0.74363%0.625SS**Hα-helixtrans-84.9-28.8175.5-67.5-179.1-3.600113.1Q38 N39 E40Q38-Q42 WeakPolarHBondContact O-CG 3.47Å; Q38-Q42 PolarHBondContact O-N 3.32Å; N39-Q42 PolarHBondContact O-N 3.09Å; E40-Q42 VanDerWaalsContact C-N 3.25Å; E40-Q42 PolarHBondContact O-N 3.38Å
43Q68.5Low63.3Low151 Ų151118.2 Ų118.271%0.70665%0.65SS**Hα-helixtrans-83.6-11.3179.6-78.5-176.714.300114N39 E40 P45N39-Q43 WeakPolarHBondContact O-CB 3.46Å; N39-Q43 WeakPolarHBondContact O-CG 3.32Å; N39-Q43 PolarHBondContact O-N 2.84Å; E40-Q43 PolarHBondContact O-N 2.85Å; Q43-P45 WeakPolarHBondContact O-CD 3.29Å; Q43-P45 VanDerWaalsContact O-CG 3.3Å; Q43-P45 WeakPolarHBondContact O-CG 3.15Å
44S51.1Low60.8Low92 Ų92121.1 Ų121.164%0.64367%0.672SS**  trans-59.7101.7167.3-173.10000108.2E40 K46E40-S44 PolarHBondContact O-N 3.27Å; E40-S44 VanDerWaalsContact O-N 3.08Å; S44-K46 PolarHBondContact O-N 3.07Å
45P53Low58.1Low92 Ų92121.4 Ų121.460%0.59769%0.685SS**  trans-70.1138.3179.8-8.528.7000105.2Q43 E47Q43-P45 WeakPolarHBondContact O-CD 3.29Å; Q43-P45 VanDerWaalsContact O-CG 3.3Å; Q43-P45 WeakPolarHBondContact O-CG 3.15Å; P45-E47 PolarHBondContact O-N 3.29Å
46K46.3Very low55.2Low208 Ų208120.2 Ų120.290%0.90469%0.694SS**  trans-56.289.8153.5-73.6175.9178.9174.90106.3S44 P48S44-K46 PolarHBondContact O-N 3.07Å; K46-P48 WeakPolarHBondContact O-CD 3.48Å
47E36Very low52.3Low168 Ų168119.6 Ų119.679%0.78571%0.709SS**  trans-62.7114.9158.9-71.6-162.9166.100105.1P45 C49P45-E47 PolarHBondContact O-N 3.29Å; E47-C49 PolarHBondContact O-N 2.97Å
48P40.5Very low49.5Very low109 Ų109122.1 Ų122.171%0.70872%0.722SS**  trans-58.8113171.722.7-29.4000107.1K46 S50K46-P48 WeakPolarHBondContact O-CD 3.48Å; P48-S50 PolarHBondContact O-N 3.3Å; P48-S50 PolarHBondContact O-OG 3.13Å
49C26.7Very low46.5Very low128 Ų128122.4 Ų122.487%0.86573%0.727SS**  trans-67.184.2173.6-138.90000107.5E47E47-C49 PolarHBondContact O-N 2.97Å
50S34.6Very low43.7Very low97 Ų97126.4 Ų126.468%0.67875%0.748SS**  trans-13667.3177.852.90000109.9P48P48-S50 PolarHBondContact O-N 3.3Å; P48-S50 PolarHBondContact O-OG 3.13Å
51S31.1Very low40.7Very low120 Ų120126.2 Ų126.284%0.83975%0.751SS**  trans-174.765.7144.861.30000110.8
52S35.2Very low38Very low107 Ų107128.4 Ų128.475%0.74876%0.757SS**  trans-124.7101.9150.247.40000107.1
53S32.4Very low36.1Very low113 Ų113130 Ų13079%0.7976%0.764SS**  trans-54.2146.4175.4-67.70000111
54P35.4Very low33.9Very low123 Ų123131.9 Ų131.980%0.79977%0.773SS**  trans-80132.5-16632-33.1000111
55V32Very low32.7Very low141 Ų141132.1 Ų132.186%0.85578%0.78SS**  trans-12397.4161.1-1740000108.7
56A30.6Very low31.5Very low86 Ų86135.6 Ų135.671%0.71179%0.794SS**  trans56.3129.1149.400000120.5
57P30.6Very low30.5Very low129 Ų129133.3 Ų133.384%0.83879%0.786SS**  trans-85.9132.3-179.928.5-18.6000111.4
58L28.8Very low30.5Very low167 Ų167130.8 Ų130.887%0.87479%0.785SS**  trans-108.3104.7158.7-15372.2000109.6
59N26.3Very low29.8Very low111 Ų111128.6 Ų128.659%0.59478%0.782SS**  trans-67.1114.2175.5-168.523.9000110N61N59-N61 PolarHBondContact ND2-ND2 3.27Å; N59-N61 VanDerWaalsContact OD1-CG 3.22Å; N59-N61 PolarHBondContact OD1-ND2 2.99Å; N59-N61 PolarHBondContact OD1-OD1 3.42Å; N59-N61 VanDerWaalsContact OD1-OD1 3.08Å
60N32.6Very low29.9Very low152 Ų152134.8 Ų134.881%0.81379%0.787SS**  trans-115.584.8158.9-75-1.4000107.3
61N24.3Very low29.3Very low119 Ų119138.9 Ų138.964%0.63680%0.796SS**  trans-70.9155.2165.4-78.2-24.4000110.4N59N59-N61 PolarHBondContact ND2-ND2 3.27Å; N59-N61 VanDerWaalsContact OD1-CG 3.22Å; N59-N61 PolarHBondContact OD1-ND2 2.99Å; N59-N61 PolarHBondContact OD1-OD1 3.42Å; N59-N61 VanDerWaalsContact OD1-OD1 3.08Å
62T27.7Very low29.1Very low124 Ų124140.6 Ų140.676%0.76180%0.795SS**  trans95.1100.9151.5-28.90000114.9
63E34.3Very low28.6Very low194 Ų194139 Ų13991%0.90778%0.783SS**  -158.9107.3110.6-99.2167-178.500108.6
64E22.5Very low28.2Very low189 Ų189139.4 Ų139.488%0.88378%0.782SS**  trans-69.7140165.5-65-158.5154.100110.3
65A26.7Very low27.8Very low97 Ų97142.9 Ų142.980%0.80278%0.78SS**  -177.1137.3128.600000111.6
66D27.5Very low27.8Very low165 Ų165141.2 Ų141.288%0.88277%0.772SS**  trans86.293.4152.2-10623.4000121.2
67E25Very low27.6Very low160 Ų160143 Ų14375%0.74878%0.78SS**  trans-61.7164.2134.6-88.2-76.7140.100110.7
68P36.4Very low27.6Very low115 Ų115141.9 Ų141.975%0.74778%0.775SS**  cis-140.616021.534.4-12.1000118.7
69G24.7Very low27.7Very low64 Ų64142.2 Ų142.266%0.6677%0.772SS**  trans62.2105.113400000121.1
70R29.1Very low27.7Very low257 Ų257144.2 Ų144.297%0.9778%0.782SS**  trans-154.3138135-124.6-176.4-165.9118.10.8113
71E23.3Very low27.6Very low183 Ų183144.1 Ų144.186%0.85578%0.781SS**  trans-71.6145.2-165.5-62.7163.316100114.2
72L25.9Very low28Very low157 Ų157145.3 Ų145.382%0.82278%0.783SS**  trans25102.7134.8-167.368.5000116.9
73S25.3Very low28.2Very low72 Ų72147.2 Ų147.250%0.50378%0.781SS.*  trans-138100.3144.8-167.90000110.3Y75S73-Y75 VanDerWaalsContact CB-CE2 3.4Å; S73-Y75 PolarHBondContact O-N 3.23Å; S73-Y75 VanDerWaalsContact O-N 3.13Å; S73-Y75 VanDerWaalsContact OG-CD2 3.3Å; S73-Y75 WeakPolarHBondContact OG-CD2 3.43Å; S73-Y75 WeakPolarHBondContact OG-CE2 3.31Å
74T23Very low28.1Very low123 Ų123146.6 Ų146.676%0.75578%0.776SS**  trans-50.9107.6155.5-57.50000108.6
75Y28.3Very low28.8Very low195 Ų195143.4 Ų143.477%0.76576%0.764SS**  trans-110.1130.7166-78.3-72.6000109.5S73S73-Y75 VanDerWaalsContact CB-CE2 3.4Å; S73-Y75 PolarHBondContact O-N 3.23Å; S73-Y75 VanDerWaalsContact O-N 3.13Å; S73-Y75 VanDerWaalsContact OG-CD2 3.3Å; S73-Y75 WeakPolarHBondContact OG-CD2 3.43Å; S73-Y75 WeakPolarHBondContact OG-CE2 3.31Å
76P31.7Very low29.4Very low107 Ų107144.1 Ų144.170%0.69575%0.754SS**  trans-75.2133-169.830.6-32.6000110.3S78P76-S78 VanDerWaalsContact C-N 3.32Å; P76-S78 PolarHBondContact O-N 3.3Å
77S26.8Very low29.7Very low124 Ų124143.8 Ų143.887%0.86775%0.753SS**  trans-6292.3162.848.90000109.3
78S28.8Very low30.4Very low105 Ų105144.6 Ų144.673%0.73475%0.75SS**  trans-143.485.8162.8-840000109P76P76-S78 VanDerWaalsContact C-N 3.32Å; P76-S78 PolarHBondContact O-N 3.3Å
79E31Very low30.5Very low174 Ų174144 Ų14481%0.81374%0.744SS**  trans-126.464.1157.8-66.7-171-167.200108.1L81E79-L81 PolarHBondContact O-N 2.8Å
80N26.8Very low30.8Very low152 Ų152145.5 Ų145.581%0.81374%0.737SS**  trans-71.473145-90.3-15.1000106.4E82N80-E82 PolarHBondContact O-N 2.91Å
81L31.1Very low31.3Very low151 Ų151139.1 Ų139.179%0.79173%0.727SS**  trans-74.981.8158.3-78.3176.2000106.1E79 F83E79-L81 PolarHBondContact O-N 2.8Å; L81-F83 PolarHBondContact O-N 3.17Å; L81-F83 VanDerWaalsContact O-N 3.12Å
82E31.7Very low32.2Very low143 Ų143140.5 Ų140.567%0.66873%0.726SS**  trans-52.8119.7163.4-70.1-164161.400107.6N80 F84N80-E82 PolarHBondContact O-N 2.91Å; E82-F84 VanDerWaalsContact O-CD2 3.32Å; E82-F84 WeakPolarHBondContact O-CD2 3.19Å; E82-F84 PolarHBondContact O-N 2.88Å
83F31.4Very low33.1Very low165 Ų165138.9 Ų138.972%0.72472%0.722SS**  trans-54.584.3174.9179.8-98.3000109.5L81 N85L81-F83 PolarHBondContact O-N 3.17Å; L81-F83 VanDerWaalsContact O-N 3.12Å; F83-N85 PolarHBondContact O-N 2.81Å
84F33.7Very low33.8Very low181 Ų181140.2 Ų140.279%0.79474%0.738SS**  trans-69.3124.7162.2-78.4-81.8000107.5E82 L86E82-F84 VanDerWaalsContact O-CD2 3.32Å; E82-F84 WeakPolarHBondContact O-CD2 3.19Å; E82-F84 PolarHBondContact O-N 2.88Å; F84-L86 PolarHBondContact O-N 2.86Å
85N35.8Very low34.6Very low121 Ų121141.3 Ų141.365%0.64774%0.739SS**  trans-39.7121.9-179.4-79.2-50.2000112.2F83 D87 Y88F83-N85 PolarHBondContact O-N 2.81Å; N85-D87 PolarHBondContact O-N 3.01Å; N85-Y88 PolarHBondContact O-N 2.85Å
86L39.4Very low35.1Very low112 Ų112143.6 Ų143.659%0.58675%0.746SS**THydrogen-bonded Turntrans-68.112.1176.7-165.566.9000113.2F84 Y88 V89F84-L86 PolarHBondContact O-N 2.86Å; L86-Y88 VanDerWaalsContact C-N 3.31Å; L86-V89 HydrophobicContact CD1-CG1 3.9Å
87D35.1Very low35.6Very low159 Ų159143.2 Ų143.285%0.8574%0.742SS**THydrogen-bonded Turntrans-91.76.2175-70.7-16000112.8N85N85-D87 PolarHBondContact O-N 3.01Å
88Y39.1Very low36.4Very low177 Ų177146 Ų14669%0.69474%0.741SS**  trans-133.561.7173.6-155.6-94.2000111.9N85 L86 D90N85-Y88 PolarHBondContact O-N 2.85Å; L86-Y88 VanDerWaalsContact C-N 3.31Å; Y88-D90 HydrophobicContact CE1-CB 4.47Å; Y88-D90 WeakPolarHBondContact CE1-OD2 3.37Å; Y88-D90 PolarHBondContact OH-OD2 3.13Å
89V38.8Very low37.6Very low101 Ų101145.5 Ų145.561%0.61273%0.728SS**  trans-92.987.7162.6-69.20000108.8L86 T91L86-V89 HydrophobicContact CD1-CG1 3.9Å; V89-T91 PolarHBondContact O-N 3.3Å; V89-T91 VanDerWaalsContact O-N 3.15Å
90D31.4Very low38.7Very low96 Ų96141.9 Ų141.951%0.51372%0.718SS.*  trans-58.1117.8165.4-92.4-30000108.5Y88 Y92Y88-D90 HydrophobicContact CE1-CB 4.47Å; Y88-D90 WeakPolarHBondContact CE1-OD2 3.37Å; Y88-D90 PolarHBondContact OH-OD2 3.13Å; D90-Y92 PolarHBondContact O-N 2.74Å
91T38.6Very low40Very low124 Ų124140.5 Ų140.576%0.76172%0.715SS**THydrogen-bonded Turntrans-71.955.5-178470000111.8V89V89-T91 PolarHBondContact O-N 3.3Å; V89-T91 VanDerWaalsContact O-N 3.15Å
92Y42.5Very low40.9Very low212 Ų212143.4 Ų143.483%0.83172%0.716SS**THydrogen-bonded Turntrans-133.6-0.9175.6-81.8-77.1000115.8D90D90-Y92 PolarHBondContact O-N 2.74Å
93T43.9Very low42.1Very low122 Ų122138.7 Ų138.775%0.74870%0.698SS**  trans-118.646.3174.855.70000112.2N95T93-N95 PolarHBondContact O-N 3.37Å
94A40.7Very low43.1Very low101 Ų101135.3 Ų135.384%0.83569%0.687SS**  trans-73.768.9162.400000109.5R96A94-R96 PolarHBondContact O-N 2.99Å
95N39.6Very low44.1Very low146 Ų146133.3 Ų133.378%0.78168%0.678SS**  trans-62.6112.4168.8-93.5-21.4000108.2T93 V97T93-N95 PolarHBondContact O-N 3.37Å; N95-V97 VanDerWaalsContact C-N 3.27Å; N95-V97 PolarHBondContact O-N 2.95Å
96R38.9Very low45.1Very low243 Ų243132.1 Ų132.192%0.91767%0.672SS**  trans-6776.3-174.8-174.2176.7169.7148.7-3.2110.6A94A94-R96 PolarHBondContact O-N 2.99Å
97V41.4Very low45.6Very low99 Ų99130.1 Ų130.160%0.667%0.667SS**  trans-76.5127.4166.5-172.60000107.8N95 M99N95-V97 VanDerWaalsContact C-N 3.27Å; N95-V97 PolarHBondContact O-N 2.95Å; V97-M99 VanDerWaalsContact C-N 3.29Å; V97-M99 HydrophobicContact CB-CE 4.04Å; V97-M99 HydrophobicContact CG1-CE 3.49Å; V97-M99 VanDerWaalsContact CG1-CE 3.49Å; V97-M99 PolarHBondContact O-N 3.21Å
98H45.7Very low46.4Very low182 Ų182126.3 Ų126.384%0.84365%0.649SS**  trans-65.883.8-178.4-141.6-88.5000110T100H98-T100 PolarHBondContact O-N 3.31Å
99M52.6Low46.8Very low94 Ų94119.4 Ų119.446%0.46363%0.625SS.*  trans-80.2121.3179.3-74.2-69.3139.400110V97 S103 L104V97-M99 VanDerWaalsContact C-N 3.29Å; V97-M99 HydrophobicContact CB-CE 4.04Å; V97-M99 HydrophobicContact CG1-CE 3.49Å; V97-M99 VanDerWaalsContact CG1-CE 3.49Å; V97-M99 PolarHBondContact O-N 3.21Å; M99-S103 PolarHBondContact SD-OG 3.11Å; M99-L104 HydrophobicContact CB-CD2 3.71Å; M99-L104 HydrophobicContact CB-CG 4.08Å
100T55.3Low47.5Very low98 Ų98119.6 Ų119.660%0.60162%0.623SS**  trans-65.5154.117242.70000110.8H98 R102 S103 L104H98-T100 PolarHBondContact O-N 3.31Å; T100-R102 PolarHBondContact O-N 3.19Å; T100-R102 VanDerWaalsContact O-N 3.13Å; T100-S103 WeakPolarHBondContact O-CA 3.46Å; T100-S103 VanDerWaalsContact O-CB 3.28Å; T100-S103 WeakPolarHBondContact O-CB 2.95Å; T100-S103 PolarHBondContact O-N 3.06Å; T100-L104 PolarHBondContact O-N 3.07Å; T100-L104 VanDerWaalsContact O-N 3.12Å
101T52.8Low48.5Very low123 Ų123120.8 Ų120.876%0.75563%0.625SS**Hα-helixtrans-58.7-29.6-172.753.40000113.8F105T101-F105 PolarHBondContact O-N 3.46Å
102R51.4Low49Very low213 Ų213119.3 Ų119.380%0.80462%0.616SS**Hα-helixtrans-66.9-36.8170.7-101-176.7151.5105-1.7113.2T100 N106T100-R102 PolarHBondContact O-N 3.19Å; T100-R102 VanDerWaalsContact O-N 3.13Å; R102-N106 PolarHBondContact O-N 3.15Å; R102-N106 VanDerWaalsContact O-N 3.11Å
103S56.4Low49.4Very low43 Ų43115 Ų11530%0.30160%0.604SS.*Hα-helixtrans-71.2-39.6178.1-168.90000111.7M99 T100 F105 N106 C107M99-S103 PolarHBondContact SD-OG 3.11Å; T100-S103 WeakPolarHBondContact O-CA 3.46Å; T100-S103 VanDerWaalsContact O-CB 3.28Å; T100-S103 WeakPolarHBondContact O-CB 2.95Å; T100-S103 PolarHBondContact O-N 3.06Å; S103-F105 VanDerWaalsContact C-N 3.34Å; S103-F105 PolarHBondContact O-N 2.84Å; S103-N106 PolarHBondContact O-N 3.39Å; S103-C107 WeakPolarHBondContact O-CB 3.05Å; S103-C107 PolarHBondContact O-N 3.33Å
104L52.4Low50.1Low94 Ų94110.2 Ų110.249%0.49258%0.575SS.*Hα-helixtrans-62.9-40.3174.2-65180000112M99 T100 C107 V108M99-L104 HydrophobicContact CB-CD2 3.71Å; M99-L104 HydrophobicContact CB-CG 4.08Å; T100-L104 PolarHBondContact O-N 3.07Å; T100-L104 VanDerWaalsContact O-N 3.12Å; L104-C107 PolarHBondContact O-N 3.26Å; L104-V108 VanDerWaalsContact O-CB 3.23Å; L104-V108 WeakPolarHBondContact O-CB 3.36Å; L104-V108 WeakPolarHBondContact O-CG2 3.32Å; L104-V108 PolarHBondContact O-N 3.43Å
105F54.9Low50.9Low139 Ų139110.5 Ų110.561%0.6156%0.562SS**Hα-helixtrans-66.1-47.4177.3-166.6-101.2000111.3T101 S103 C107 V108 T109T101-F105 PolarHBondContact O-N 3.46Å; S103-F105 VanDerWaalsContact C-N 3.34Å; S103-F105 PolarHBondContact O-N 2.84Å; F105-C107 VanDerWaalsContact C-N 3.35Å; F105-C107 PolarHBondContact O-N 2.95Å; F105-V108 PolarHBondContact O-N 3.32Å; F105-T109 HydrophobicContact CD1-CG2 3.87Å; F105-T109 HydrophobicContact CD2-CG2 4.22Å; F105-T109 HydrophobicContact CE1-CG2 3.59Å; F105-T109 HydrophobicContact CE2-CG2 3.96Å; F105-T109 HydrophobicContact CG-CG2 4.19Å; F105-T109 HydrophobicContact CZ-CG2 3.64Å; F105-T109 WeakPolarHBondContact O-CB 3.49Å; F105-T109 VanDerWaalsContact O-CG2 3.31Å; F105-T109 WeakPolarHBondContact O-CG2 3.44Å; F105-T109 PolarHBondContact O-N 2.86Å; F105-T109 PolarHBondContact O-OG1 2.81Å
106N55.9Low51.7Low96 Ų96106.7 Ų106.751%0.51355%0.551SS.*Hα-helixtrans-64-38.6176-78.3-2.2000112.4R102 S103 N110R102-N106 PolarHBondContact O-N 3.15Å; R102-N106 VanDerWaalsContact O-N 3.11Å; S103-N106 PolarHBondContact O-N 3.39Å; N106-N110 WeakPolarHBondContact O-CB 3.35Å; N106-N110 PolarHBondContact O-N 3.48Å; N106-N110 PolarHBondContact O-ND2 2.82Å
107C50.1Low52.8Low70 Ų7098.9 Ų98.947%0.47353%0.527SS..Hα-helixtrans-64.5-47.5175.7-1720000110.7S103 L104 F105 Q111S103-C107 WeakPolarHBondContact O-CB 3.05Å; S103-C107 PolarHBondContact O-N 3.33Å; L104-C107 PolarHBondContact O-N 3.26Å; F105-C107 VanDerWaalsContact C-N 3.35Å; F105-C107 PolarHBondContact O-N 2.95Å; C107-Q111 WeakPolarHBondContact O-CB 3.44Å; C107-Q111 PolarHBondContact O-N 2.7Å
108V51.8Low53.6Low79 Ų7999.7 Ų99.748%0.47952%0.523SS..Hα-helixtrans-67.7-43.1179.3158.30000112.8L104 F105 Q111 T112L104-V108 VanDerWaalsContact O-CB 3.23Å; L104-V108 WeakPolarHBondContact O-CB 3.36Å; L104-V108 WeakPolarHBondContact O-CG2 3.32Å; L104-V108 PolarHBondContact O-N 3.43Å; F105-V108 PolarHBondContact O-N 3.32Å; V108-Q111 PolarHBondContact O-N 3.09Å; V108-T112 WeakPolarHBondContact O-CB 3.41Å; V108-T112 WeakPolarHBondContact O-CG2 3.46Å; V108-T112 PolarHBondContact O-N 2.92Å; V108-T112 PolarHBondContact O-OG1 3.37Å
109T47.7Very low54.2Low32 Ų3296.4 Ų96.420%0.19651%0.511CS..Hα-helixtrans-71.9-38.2179.559.50000111.2F105 Q111 Q113F105-T109 HydrophobicContact CD1-CG2 3.87Å; F105-T109 HydrophobicContact CD2-CG2 4.22Å; F105-T109 HydrophobicContact CE1-CG2 3.59Å; F105-T109 HydrophobicContact CE2-CG2 3.96Å; F105-T109 HydrophobicContact CG-CG2 4.19Å; F105-T109 HydrophobicContact CZ-CG2 3.64Å; F105-T109 WeakPolarHBondContact O-CB 3.49Å; F105-T109 VanDerWaalsContact O-CG2 3.31Å; F105-T109 WeakPolarHBondContact O-CG2 3.44Å; F105-T109 PolarHBondContact O-N 2.86Å; F105-T109 PolarHBondContact O-OG1 2.81Å; T109-Q111 VanDerWaalsContact C-N 3.33Å; T109-Q113 WeakPolarHBondContact O-CB 3.07Å; T109-Q113 WeakPolarHBondContact O-CG 3.42Å; T109-Q113 PolarHBondContact O-N 2.81Å
110N53Low54.5Low106 Ų10694.1 Ų94.157%0.56751%0.507SS*.Hα-helixtrans-71.2-28.2173.7-63.7-19.8000112N106 S114N106-N110 WeakPolarHBondContact O-CB 3.35Å; N106-N110 PolarHBondContact O-N 3.48Å; N106-N110 PolarHBondContact O-ND2 2.82Å; N110-S114 WeakPolarHBondContact O-CB 3.36Å; N110-S114 PolarHBondContact O-N 2.86Å
111Q52.1Low54.7Low120 Ų12095.7 Ų95.756%0.56151%0.506SS*.Hα-helixtrans-85.3-35-177.2-170.1168.926.800113.5C107 V108 T109 S114 L115C107-Q111 WeakPolarHBondContact O-CB 3.44Å; C107-Q111 PolarHBondContact O-N 2.7Å; V108-Q111 PolarHBondContact O-N 3.09Å; T109-Q111 VanDerWaalsContact C-N 3.33Å; Q111-S114 WeakPolarHBondContact O-CB 3.26Å; Q111-L115 PolarHBondContact O-N 3.21Å
112T50.4Low55Low93 Ų9393.8 Ų93.857%0.57149%0.488SS*.Hα-helixtrans-80.8-39.5179.553.10000113.1V108 S114V108-T112 WeakPolarHBondContact O-CB 3.41Å; V108-T112 WeakPolarHBondContact O-CG2 3.46Å; V108-T112 PolarHBondContact O-N 2.92Å; V108-T112 PolarHBondContact O-OG1 3.37Å; T112-S114 PolarHBondContact O-N 3.43Å
113Q49.8Very low55.5Low122 Ų12287.5 Ų87.557%0.5747%0.473SS*.Hα-helixtrans-66.4-32.4168.4-65.9179.2-400110.5T109 L115 D117T109-Q113 WeakPolarHBondContact O-CB 3.07Å; T109-Q113 WeakPolarHBondContact O-CG 3.42Å; T109-Q113 PolarHBondContact O-N 2.81Å; Q113-L115 PolarHBondContact O-N 3.28Å; Q113-D117 WeakPolarHBondContact O-CB 3.49Å; Q113-D117 PolarHBondContact O-N 2.7Å
114S59.1Low56.4Low21 Ų2188.7 Ų88.715%0.14749%0.486CS..Hα-helixtrans-57.5-47.8178.4141.10000113.9N110 Q111 T112 K118N110-S114 WeakPolarHBondContact O-CB 3.36Å; N110-S114 PolarHBondContact O-N 2.86Å; Q111-S114 WeakPolarHBondContact O-CB 3.26Å; T112-S114 PolarHBondContact O-N 3.43Å; S114-K118 WeakPolarHBondContact O-CA 3.32Å; S114-K118 WeakPolarHBondContact O-CB 3.31Å; S114-K118 WeakPolarHBondContact O-CD 3.28Å; S114-K118 WeakPolarHBondContact O-CG 3.36Å; S114-K118 PolarHBondContact O-N 3.4Å; S114-K118 VanDerWaalsContact OG-CD 3.27Å; S114-K118 WeakPolarHBondContact OG-CD 3.49Å; S114-K118 WeakPolarHBondContact OG-CE 3.37Å; S114-K118 PolarHBondContact OG-NZ 2.93Å
115L56.9Low57.8Low108 Ų10886.2 Ų86.257%0.56547%0.473SS*.Hα-helixtrans-72.5-45.4-171.2-71.8178.6000112.7Q111 Q113 K118 L119Q111-L115 PolarHBondContact O-N 3.21Å; Q113-L115 PolarHBondContact O-N 3.28Å; L115-K118 PolarHBondContact O-N 3.06Å; L115-L119 WeakPolarHBondContact O-CB 3.22Å; L115-L119 PolarHBondContact O-N 2.93Å
116A57.1Low59.4Low65 Ų6580.7 Ų80.754%0.53745%0.449SS..Hα-helixtrans-65.3-42.4176.800000111.1L119 A120A116-L119 PolarHBondContact O-N 3.06Å; A116-A120 WeakPolarHBondContact O-CB 3.13Å; A116-A120 PolarHBondContact O-N 2.96Å
117D61.4Low60.9Low79 Ų7976.3 Ų76.342%0.42243%0.426SS..Hα-helixtrans-71.8-35.4176.8-68.8-18.8000112.5Q113 A120 K121Q113-D117 WeakPolarHBondContact O-CB 3.49Å; Q113-D117 PolarHBondContact O-N 2.7Å; D117-A120 PolarHBondContact O-N 3.12Å; D117-K121 VanDerWaalsContact O-CB 3.24Å; D117-K121 WeakPolarHBondContact O-CB 3.26Å; D117-K121 WeakPolarHBondContact O-CD 3.43Å; D117-K121 WeakPolarHBondContact O-CG 3.18Å; D117-K121 PolarHBondContact O-N 3.43Å
118K59.4Low62.8Low117 Ų11778.8 Ų78.851%0.50943%0.429SS..Hα-helixtrans-64.9-45.7173.4-78.6168.8-177.3172.80109.9S114 L115 A120 K121 E122S114-K118 WeakPolarHBondContact O-CA 3.32Å; S114-K118 WeakPolarHBondContact O-CB 3.31Å; S114-K118 WeakPolarHBondContact O-CD 3.28Å; S114-K118 WeakPolarHBondContact O-CG 3.36Å; S114-K118 PolarHBondContact O-N 3.4Å; S114-K118 VanDerWaalsContact OG-CD 3.27Å; S114-K118 WeakPolarHBondContact OG-CD 3.49Å; S114-K118 WeakPolarHBondContact OG-CE 3.37Å; S114-K118 PolarHBondContact OG-NZ 2.93Å; L115-K118 PolarHBondContact O-N 3.06Å; K118-A120 VanDerWaalsContact C-N 3.35Å; K118-K121 PolarHBondContact O-N 2.83Å; K118-E122 WeakPolarHBondContact O-CB 2.84Å; K118-E122 PolarHBondContact O-N 3.13Å
119L57.1Low64.6Low112 Ų11277.6 Ų77.659%0.58643%0.432SS*.Hα-helixtrans-65.9-37.6176.3-171139.7000111.4L115 A116 T123L115-L119 WeakPolarHBondContact O-CB 3.22Å; L115-L119 PolarHBondContact O-N 2.93Å; A116-L119 PolarHBondContact O-N 3.06Å; L119-T123 HydrophobicContact CD2-CG2 4.31Å; L119-T123 WeakPolarHBondContact O-CB 3.45Å; L119-T123 WeakPolarHBondContact O-CG2 3.42Å; L119-T123 PolarHBondContact O-N 3.49Å; L119-T123 PolarHBondContact O-OG1 3.04Å
120A59.2Low66.7Low47 Ų4785 Ų8539%0.38846%0.462SS..Hα-helixtrans-65.5-43.2173.100000111.9A116 D117 K118 T123 A124A116-A120 WeakPolarHBondContact O-CB 3.13Å; A116-A120 PolarHBondContact O-N 2.96Å; D117-A120 PolarHBondContact O-N 3.12Å; K118-A120 VanDerWaalsContact C-N 3.35Å; A120-T123 WeakPolarHBondContact CA-OG1 3.3Å; A120-T123 PolarHBondContact O-N 2.77Å; A120-T123 PolarHBondContact O-OG1 3.48Å; A120-A124 WeakPolarHBondContact O-CB 3.35Å; A120-A124 PolarHBondContact O-N 3.25Å
121K59.7Low68.6Low131 Ų13183.7 Ų83.757%0.5745%0.452SS*.Hα-helixtrans-66.5-42.2175.9-72.8165.6-1731750111.6D117 K118 T123 A124 I125D117-K121 VanDerWaalsContact O-CB 3.24Å; D117-K121 WeakPolarHBondContact O-CB 3.26Å; D117-K121 WeakPolarHBondContact O-CD 3.43Å; D117-K121 WeakPolarHBondContact O-CG 3.18Å; D117-K121 PolarHBondContact O-N 3.43Å; K118-K121 PolarHBondContact O-N 2.83Å; K121-T123 VanDerWaalsContact C-N 3.34Å; K121-A124 PolarHBondContact O-N 3.35Å; K121-I125 HydrophobicContact CB-CD1 4.48Å; K121-I125 WeakPolarHBondContact O-CB 3.21Å; K121-I125 WeakPolarHBondContact O-CD1 3.42Å; K121-I125 VanDerWaalsContact O-CG1 3.23Å; K121-I125 WeakPolarHBondContact O-CG1 3.42Å; K121-I125 PolarHBondContact O-N 3.23Å
122E58.6Low70.5Confident83 Ų8381 Ų8139%0.38844%0.437SS..Hα-helixtrans-70.6-28.7178.8-175.6177.4177.800112.7K26 K118K26-E122 HydrophobicContact CD-CG 4.03Å; K26-E122 WeakPolarHBondContact CD-O 3.19Å; K26-E122 VanDerWaalsContact CE-O 3.28Å; K26-E122 WeakPolarHBondContact CE-O 3.48Å; K118-E122 WeakPolarHBondContact O-CB 2.84Å; K118-E122 PolarHBondContact O-N 3.13Å
123T63Low72.6Confident80 Ų8083.2 Ų83.249%0.49144%0.439SS..Hα-helixtrans-80.8-31.8172.750.80000112.4L119 A120 K121L119-T123 HydrophobicContact CD2-CG2 4.31Å; L119-T123 WeakPolarHBondContact O-CB 3.45Å; L119-T123 WeakPolarHBondContact O-CG2 3.42Å; L119-T123 PolarHBondContact O-N 3.49Å; L119-T123 PolarHBondContact O-OG1 3.04Å; A120-T123 WeakPolarHBondContact CA-OG1 3.3Å; A120-T123 PolarHBondContact O-N 2.77Å; A120-T123 PolarHBondContact O-OG1 3.48Å; K121-T123 VanDerWaalsContact C-N 3.34Å
124A74.6Confident74.7Confident69 Ų6983 Ų8357%0.5744%0.438SS*.Hα-helixtrans-76-31.9178.800000113.3A120 K121 D126A120-A124 WeakPolarHBondContact O-CB 3.35Å; A120-A124 PolarHBondContact O-N 3.25Å; K121-A124 PolarHBondContact O-N 3.35Å; A124-D126 PolarHBondContact O-N 3.2Å
125I82.6Confident76.4Confident41 Ų4182.6 Ų82.621%0.2143%0.433CS..  trans-95.597.7-176.3-60163.6000109.1A29 L30 L33 K121A29-I125 HydrophobicContact CB-CG2 3.91Å; L30-I125 HydrophobicContact CD2-CB 3.99Å; L30-I125 HydrophobicContact CD2-CD1 3.6Å; L30-I125 HydrophobicContact CD2-CG1 4.39Å; L30-I125 HydrophobicContact CD2-CG2 3.73Å; L30-I125 HydrophobicContact CG-CG2 3.98Å; L33-I125 HydrophobicContact CD1-CB 4.16Å; L33-I125 HydrophobicContact CD1-CD1 3.78Å; L33-I125 HydrophobicContact CD1-CG1 3.68Å; L33-I125 HydrophobicContact CD1-CG2 3.39Å; L33-I125 HydrophobicContact CG-CG2 4.14Å; K121-I125 HydrophobicContact CB-CD1 4.48Å; K121-I125 WeakPolarHBondContact O-CB 3.21Å; K121-I125 WeakPolarHBondContact O-CD1 3.42Å; K121-I125 VanDerWaalsContact O-CG1 3.23Å; K121-I125 WeakPolarHBondContact O-CG1 3.42Å; K121-I125 PolarHBondContact O-N 3.23Å
126D88.6Confident78.2Confident23 Ų2379.7 Ų79.712%0.12342%0.417CS..  trans-141.9162.3176.8-163.51.2000110.2R25 A124 F128 R132R25-D126 WeakPolarHBondContact CD-OD1 3.37Å; R25-D126 WeakPolarHBondContact CG-OD1 3.38Å; R25-D126 IonicContact CZ-OD1 2.91Å; R25-D126 IonicContact CZ-OD2 3.7Å; R25-D126 IonicContact NE-OD1 2.68Å; R25-D126 PolarHBondContact NE-OD1 2.89Å; R25-D126 IonicContact NE-OD2 2.74Å; R25-D126 PolarHBondContact NE-OD2 2.94Å; R25-D126 VanDerWaalsContact NE-OD2 3.17Å; R25-D126 IonicContact NH2-OD1 3.81Å; R25-D126 IonicContact NH2-OD2 3.8Å; R25-D126 PolarHBondContact NH2-OD2 3.15Å; A124-D126 PolarHBondContact O-N 3.2Å; D126-F128 HydrophobicContact CB-CE1 4.33Å; D126-F128 HydrophobicContact CB-CE2 4.21Å; D126-F128 HydrophobicContact CB-CZ 3.9Å; D126-F128 WeakPolarHBondContact O-CD2 3.47Å; D126-F128 WeakPolarHBondContact O-CE2 3.21Å; D126-R132 IonicContact OD2-CZ 3.95Å; D126-R132 IonicContact OD2-NH2 2.82Å; D126-R132 PolarHBondContact OD2-NH2 2.94Å; D126-R132 VanDerWaalsContact OD2-NH2 3.11Å
127L87.5Confident80Confident5 Ų581.1 Ų81.13%0.02642%0.415CS..  trans-75.6142.2166.6-58.2-179.6000109R25 E28 A29 E131 R132 W135R25-L127 HydrophobicContact CG-CB 4.09Å; R25-L127 HydrophobicContact CG-CD1 4Å; R25-L127 HydrophobicContact CG-CG 4.11Å; E28-L127 HydrophobicContact CG-CD1 4.17Å; A29-L127 HydrophobicContact CB-CD2 4Å; A29-L127 HydrophobicContact CB-CG 4.15Å; L127-E131 HydrophobicContact CD2-CG 4.2Å; L127-R132 HydrophobicContact CB-CB 4.17Å; L127-R132 PolarHBondContact O-NE 3.44Å; L127-R132 PolarHBondContact O-NH2 3.31Å; L127-W135 HydrophobicContact CD1-CB 3.81Å; L127-W135 HydrophobicContact CD1-CD2 4.01Å; L127-W135 HydrophobicContact CD1-CE3 4.49Å; L127-W135 HydrophobicContact CD1-CG 3.69Å
128F88.6Confident81.6Confident122 Ų12282 Ų8254%0.53542%0.417SS..  trans-127.7155-176.3-63.9-78.3000113.6D126 K130 E131 R132D126-F128 HydrophobicContact CB-CE1 4.33Å; D126-F128 HydrophobicContact CB-CE2 4.21Å; D126-F128 HydrophobicContact CB-CZ 3.9Å; D126-F128 WeakPolarHBondContact O-CD2 3.47Å; D126-F128 WeakPolarHBondContact O-CE2 3.21Å; F128-K130 PolarHBondContact O-N 3.45Å; F128-E131 PolarHBondContact O-N 2.9Å; F128-R132 PolarHBondContact O-N 2.81Å
129G90.5Very high83.1Confident53 Ų5379.2 Ų79.255%0.54640%0.404SS..Hα-helixtrans59.5-120.3168.500000114.5
130K92.6Very high84.8Confident189 Ų18979.5 Ų79.582%0.82241%0.406SS*.Hα-helixtrans-72.3-39.2-178-67-177.4179.6-179.40112.4F128 R132 K133 Q134F128-K130 PolarHBondContact O-N 3.45Å; K130-R132 VanDerWaalsContact C-N 3.33Å; K130-R132 PolarHBondContact O-N 3.5Å; K130-K133 PolarHBondContact O-N 3.45Å; K130-Q134 WeakPolarHBondContact O-CB 3.49Å; K130-Q134 PolarHBondContact O-N 3.48Å
131E91.4Very high86.4Confident77 Ų7785 Ų8536%0.3642%0.424SS..Hα-helixtrans-61.7-43.4-179.4-176.7-179.9-16200110.9R32 L127 F128 K133 Q134 W135R32-E131 IonicContact CZ-OE1 2.7Å; R32-E131 IonicContact NH1-OE1 2.88Å; R32-E131 PolarHBondContact NH1-OE1 2.96Å; L127-E131 HydrophobicContact CD2-CG 4.2Å; F128-E131 PolarHBondContact O-N 2.9Å; E131-K133 PolarHBondContact O-N 2.92Å; E131-Q134 PolarHBondContact O-N 3.35Å; E131-W135 WeakPolarHBondContact O-CB 3.48Å; E131-W135 PolarHBondContact O-N 2.92Å
132R92.8Very high88Confident64 Ų6483.3 Ų83.324%0.24242%0.418CS..Hα-helixtrans-54.3-53.8172.9173.7178.8-55170.5-1.2111.9D126 L127 F128 K130 Q134 W135 E136D126-R132 IonicContact OD2-CZ 3.95Å; D126-R132 IonicContact OD2-NH2 2.82Å; D126-R132 PolarHBondContact OD2-NH2 2.94Å; D126-R132 VanDerWaalsContact OD2-NH2 3.11Å; L127-R132 HydrophobicContact CB-CB 4.17Å; L127-R132 PolarHBondContact O-NE 3.44Å; L127-R132 PolarHBondContact O-NH2 3.31Å; F128-R132 PolarHBondContact O-N 2.81Å; K130-R132 VanDerWaalsContact C-N 3.33Å; K130-R132 PolarHBondContact O-N 3.5Å; R132-Q134 VanDerWaalsContact C-N 3.29Å; R132-Q134 PolarHBondContact O-N 3.05Å; R132-W135 PolarHBondContact O-N 2.92Å; R132-E136 WeakPolarHBondContact CD-OE1 3.21Å; R132-E136 HydrophobicContact CG-CG 4.25Å; R132-E136 WeakPolarHBondContact CG-OE1 3.43Å; R132-E136 WeakPolarHBondContact O-CB 3.37Å; R132-E136 VanDerWaalsContact O-CG 3.32Å; R132-E136 WeakPolarHBondContact O-CG 3.41Å; R132-E136 PolarHBondContact O-N 3.38Å
133K93.8Very high89.5Confident140 Ų14085.3 Ų85.361%0.60944%0.436SS*.Hα-helixtrans-62.8-39.6-176.8-69.3-177.7179.9-174.20111.9K130 E131 N137K130-K133 PolarHBondContact O-N 3.45Å; E131-K133 PolarHBondContact O-N 2.92Å; K133-N137 WeakPolarHBondContact O-CB 3.15Å; K133-N137 VanDerWaalsContact O-CG 3.23Å; K133-N137 PolarHBondContact O-N 3.03Å
134Q94.9Very high90.6Very high116 Ų11683.8 Ų83.854%0.54243%0.427SS..Hα-helixtrans-62.8-50.2177.4178.7172.22.600110.6K130 E131 R132 E136 N137 E138K130-Q134 WeakPolarHBondContact O-CB 3.49Å; K130-Q134 PolarHBondContact O-N 3.48Å; E131-Q134 PolarHBondContact O-N 3.35Å; R132-Q134 VanDerWaalsContact C-N 3.29Å; R132-Q134 PolarHBondContact O-N 3.05Å; Q134-E136 PolarHBondContact O-N 3.02Å; Q134-N137 PolarHBondContact O-N 3.05Å; Q134-E138 HydrophobicContact CG-CG 4.48Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.28Å; Q134-E138 PolarHBondContact NE2-OE1 2.82Å; Q134-E138 WeakPolarHBondContact O-CB 3.28Å; Q134-E138 VanDerWaalsContact O-CG 3.28Å; Q134-E138 WeakPolarHBondContact O-CG 3.38Å; Q134-E138 PolarHBondContact O-N 2.88Å
135W94Very high91.1Very high14 Ų1488.9 Ų88.95%0.05344%0.438CS..Hα-helixtrans-61.6-43.3177.418087.8000112.4A24 R25 E28 L127 E131 R132 N137 E138 K139A24-W135 HydrophobicContact CB-CH2 3.8Å; A24-W135 HydrophobicContact CB-CZ2 4.34Å; R25-W135 HydrophobicContact CB-CE3 4.23Å; R25-W135 HydrophobicContact CB-CH2 3.99Å; R25-W135 HydrophobicContact CB-CZ3 3.68Å; R25-W135 HydrophobicContact CG-CE3 4.03Å; R25-W135 HydrophobicContact CG-CZ3 4Å; E28-W135 HydrophobicContact CB-CZ2 4.3Å; L127-W135 HydrophobicContact CD1-CB 3.81Å; L127-W135 HydrophobicContact CD1-CD2 4.01Å; L127-W135 HydrophobicContact CD1-CE3 4.49Å; L127-W135 HydrophobicContact CD1-CG 3.69Å; E131-W135 WeakPolarHBondContact O-CB 3.48Å; E131-W135 PolarHBondContact O-N 2.92Å; R132-W135 PolarHBondContact O-N 2.92Å; W135-N137 VanDerWaalsContact C-N 3.35Å; W135-N137 PolarHBondContact O-N 3.23Å; W135-E138 PolarHBondContact O-N 3.43Å; W135-K139 HydrophobicContact CD2-CG 3.98Å; W135-K139 HydrophobicContact CE3-CG 4.3Å; W135-K139 HydrophobicContact CH2-CG 3.93Å; W135-K139 HydrophobicContact CZ2-CD 4.37Å; W135-K139 HydrophobicContact CZ2-CG 3.61Å; W135-K139 HydrophobicContact CZ3-CG 4.27Å; W135-K139 WeakPolarHBondContact O-CB 3.4Å; W135-K139 WeakPolarHBondContact O-CG 3.19Å; W135-K139 PolarHBondContact O-N 2.86Å
136E94.2Very high91.1Very high47 Ų4791.1 Ų91.122%0.2245%0.447CS..Hα-helixtrans-61.7-42.2177.5-74.4171.9178.900111.2R25 R132 Q134 K139 L140R25-E136 IonicContact CZ-OE1 2.7Å; R25-E136 IonicContact NH1-OE1 3.43Å; R25-E136 PolarHBondContact NH1-OE1 3.41Å; R132-E136 WeakPolarHBondContact CD-OE1 3.21Å; R132-E136 HydrophobicContact CG-CG 4.25Å; R132-E136 WeakPolarHBondContact CG-OE1 3.43Å; R132-E136 WeakPolarHBondContact O-CB 3.37Å; R132-E136 VanDerWaalsContact O-CG 3.32Å; R132-E136 WeakPolarHBondContact O-CG 3.41Å; R132-E136 PolarHBondContact O-N 3.38Å; Q134-E136 PolarHBondContact O-N 3.02Å; E136-K139 PolarHBondContact O-N 3.47Å; E136-L140 WeakPolarHBondContact O-CB 3.46Å; E136-L140 WeakPolarHBondContact O-CG 3.32Å; E136-L140 PolarHBondContact O-N 3.31Å
137N95Very high90.8Very high94 Ų9493.1 Ų93.150%0.50346%0.461SS..Hα-helixtrans-65.3-46.7175.6-74.7-5.8000112.1K133 Q134 W135 K139 L140 E141K133-N137 WeakPolarHBondContact O-CB 3.15Å; K133-N137 VanDerWaalsContact O-CG 3.23Å; K133-N137 PolarHBondContact O-N 3.03Å; Q134-N137 PolarHBondContact O-N 3.05Å; W135-N137 VanDerWaalsContact C-N 3.35Å; W135-N137 PolarHBondContact O-N 3.23Å; N137-K139 VanDerWaalsContact C-N 3.27Å; N137-K139 PolarHBondContact O-N 3.46Å; N137-L140 PolarHBondContact O-N 2.93Å; N137-L140 VanDerWaalsContact O-N 3.15Å; N137-E141 WeakPolarHBondContact O-CG 3.4Å; N137-E141 PolarHBondContact O-N 3.29Å
138E94.5Very high90.6Very high99 Ų9996.9 Ų96.946%0.46349%0.493SS..Hα-helixtrans-58.3-40.8177.2-72.9168.5-173.200111Q134 W135 E141 E142Q134-E138 HydrophobicContact CG-CG 4.48Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.28Å; Q134-E138 PolarHBondContact NE2-OE1 2.82Å; Q134-E138 WeakPolarHBondContact O-CB 3.28Å; Q134-E138 VanDerWaalsContact O-CG 3.28Å; Q134-E138 WeakPolarHBondContact O-CG 3.38Å; Q134-E138 PolarHBondContact O-N 2.88Å; W135-E138 PolarHBondContact O-N 3.43Å; E138-E141 PolarHBondContact O-N 2.96Å; E138-E142 PolarHBondContact O-N 2.83Å
139K92.1Very high90.4Very high57 Ų57100.2 Ų100.225%0.24851%0.51CS..Hα-helixtrans-71.3-32175.8-73.9-52-164.3-1760114.3H19 V20 W135 E136 N137 E141 E142H19-K139 PolarHBondContact NE2-O 3.35Å; V20-K139 HydrophobicContact CG2-CB 4.29Å; W135-K139 HydrophobicContact CD2-CG 3.98Å; W135-K139 HydrophobicContact CE3-CG 4.3Å; W135-K139 HydrophobicContact CH2-CG 3.93Å; W135-K139 HydrophobicContact CZ2-CD 4.37Å; W135-K139 HydrophobicContact CZ2-CG 3.61Å; W135-K139 HydrophobicContact CZ3-CG 4.27Å; W135-K139 WeakPolarHBondContact O-CB 3.4Å; W135-K139 WeakPolarHBondContact O-CG 3.19Å; W135-K139 PolarHBondContact O-N 2.86Å; E136-K139 PolarHBondContact O-N 3.47Å; N137-K139 VanDerWaalsContact C-N 3.27Å; N137-K139 PolarHBondContact O-N 3.46Å; K139-E141 VanDerWaalsContact C-N 3.3Å; K139-E142 WeakPolarHBondContact CD-OE2 3.23Å; K139-E142 IonicContact NZ-OE2 2.78Å; K139-E142 PolarHBondContact NZ-OE2 3.13Å; K139-E142 PolarHBondContact O-N 3.41Å
140L92.6Very high90.2Very high118 Ų11899.1 Ų99.162%0.61849%0.492SS*.Hα-helixtrans-71.4-25.8174.8-74.8168.4000112.9V20 E136 N137V20-L140 HydrophobicContact CG1-CD2 4.12Å; V20-L140 HydrophobicContact CG1-CG 4.09Å; V20-L140 HydrophobicContact CG2-CD2 4.11Å; E136-L140 WeakPolarHBondContact O-CB 3.46Å; E136-L140 WeakPolarHBondContact O-CG 3.32Å; E136-L140 PolarHBondContact O-N 3.31Å; N137-L140 PolarHBondContact O-N 2.93Å; N137-L140 VanDerWaalsContact O-N 3.15Å
141E93.8Very high90.1Very high163 Ų16392.7 Ų92.776%0.76247%0.465SS*.Hα-helixtrans-80.6-22.3174.4-70.1176-173.300112.7N137 E138 K139N137-E141 WeakPolarHBondContact O-CG 3.4Å; N137-E141 PolarHBondContact O-N 3.29Å; E138-E141 PolarHBondContact O-N 2.96Å; K139-E141 VanDerWaalsContact C-N 3.3Å
142E91.9Very high90Very high95 Ų9592.7 Ų92.744%0.44447%0.468SS..SBendtrans-67.6131.9176.4-170.8173.6-166.100111.3H19 E138 K139 V144H19-E142 IonicContact CE1-OE2 3.36Å; H19-E142 PolarHBondContact CE1-OE2 3.12Å; E138-E142 PolarHBondContact O-N 2.83Å; K139-E142 WeakPolarHBondContact CD-OE2 3.23Å; K139-E142 IonicContact NZ-OE2 2.78Å; K139-E142 PolarHBondContact NZ-OE2 3.13Å; K139-E142 PolarHBondContact O-N 3.41Å; E142-V144 PolarHBondContact O-N 2.82Å
143T90.1Very high89.7Confident125 Ų12594.8 Ų94.877%0.76749%0.49SS*.PPolyproline II helixtrans-76.1120.4176.3-59.40000109.9
144V86.1Confident89.1Confident49 Ų4991.9 Ų91.930%0.29749%0.492SS..PPolyproline II helixtrans-87.2120.8175.3-1760000109.6H19 E142 F146H19-V144 HydrophobicContact CB-CG2 4.36Å; H19-V144 WeakPolarHBondContact CD2-CG2 2.98Å; H19-V144 VanDerWaalsContact NE2-CG2 3.26Å; H19-V144 WeakPolarHBondContact NE2-CG2 3.36Å; E142-V144 PolarHBondContact O-N 2.82Å; V144-F146 HydrophobicContact CG1-CE1 4.36Å; V144-F146 HydrophobicContact CG1-CZ 4.38Å
145E84.8Confident88.6Confident175 Ų17587.1 Ų87.182%0.81847%0.471SS*.PPolyproline II helixtrans-84.3122.3170.2-64.9-139.2164.900110.7P147E145-P147 WeakPolarHBondContact O-CD 3.05Å
146F83.5Confident88.4Confident88 Ų8890 Ų9039%0.38648%0.484SS..PPolyproline II helixtrans-87.6117173.4-66.8-71.5000109.2L12 L15 V144 A148 I150L12-F146 HydrophobicContact CD1-CE1 3.96Å; L12-F146 HydrophobicContact CD1-CZ 4.12Å; L15-F146 HydrophobicContact CB-CE1 4.42Å; L15-F146 HydrophobicContact CD1-CD1 3.84Å; L15-F146 HydrophobicContact CD1-CE1 4Å; V144-F146 HydrophobicContact CG1-CE1 4.36Å; V144-F146 HydrophobicContact CG1-CZ 4.38Å; F146-A148 PolarHBondContact O-N 3.43Å; F146-I150 HydrophobicContact CB-CD1 3.95Å; F146-I150 HydrophobicContact CD1-CD1 3.71Å; F146-I150 HydrophobicContact CG-CD1 4.26Å
147P83.2Confident88.2Confident66 Ų6691.6 Ų91.643%0.42949%0.492SS..PPolyproline II helixtrans-62136177.121.1-28.6000110E145 E149 I150E145-P147 WeakPolarHBondContact O-CD 3.05Å; P147-E149 PolarHBondContact O-N 3.43Å; P147-I150 HydrophobicContact CG-CG2 3.95Å; P147-I150 VanDerWaalsContact O-CG1 3.32Å; P147-I150 WeakPolarHBondContact O-CG1 3.27Å; P147-I150 PolarHBondContact O-N 3.47Å; P147-I150 VanDerWaalsContact O-N 3.13Å
148A82.4Confident88.1Confident84 Ų8487.5 Ų87.569%0.69447%0.47SS*.G310 helixtrans-57.1-24.9-175.400000113.6F146 I150 I151F146-A148 PolarHBondContact O-N 3.43Å; A148-I150 VanDerWaalsContact C-N 3.27Å; A148-I150 PolarHBondContact O-N 3.47Å; A148-I151 PolarHBondContact O-N 2.84Å
149E84.1Confident88.1Confident191 Ų19187.2 Ų87.289%0.89348%0.475SS*.G310 helixtrans-63.1-25.4179.7-61.9177.6-176.700114.3P147 I151P147-E149 PolarHBondContact O-N 3.43Å; E149-I151 VanDerWaalsContact C-N 3.3Å
150I86.4Confident87.9Confident31 Ų3188.2 Ų88.216%0.15948%0.48CS..G310 helixtrans-80.8-16.2-179.774.7179.8000112.6I7 Q11 L15 F146 P147 A148I7-I150 HydrophobicContact CD1-CD1 3.93Å; I7-I150 HydrophobicContact CD1-CG1 4.11Å; I7-I150 HydrophobicContact CG1-CG1 4.28Å; I7-I150 HydrophobicContact CG2-CD1 4.47Å; Q11-I150 HydrophobicContact CG-CB 4.09Å; Q11-I150 HydrophobicContact CG-CG2 4.21Å; L15-I150 HydrophobicContact CD1-CD1 3.31Å; F146-I150 HydrophobicContact CB-CD1 3.95Å; F146-I150 HydrophobicContact CD1-CD1 3.71Å; F146-I150 HydrophobicContact CG-CD1 4.26Å; P147-I150 HydrophobicContact CG-CG2 3.95Å; P147-I150 VanDerWaalsContact O-CG1 3.32Å; P147-I150 WeakPolarHBondContact O-CG1 3.27Å; P147-I150 PolarHBondContact O-N 3.47Å; P147-I150 VanDerWaalsContact O-N 3.13Å; A148-I150 VanDerWaalsContact C-N 3.27Å; A148-I150 PolarHBondContact O-N 3.47Å
151I90.4Very high87.7Confident53 Ų5389 Ų8927%0.27249%0.485SS..SBendtrans-86116.4-176.6-58174.6000107.2I7 A148 E149 P153I7-I151 HydrophobicContact CD1-CG1 4.04Å; I7-I151 HydrophobicContact CG1-CG1 4.01Å; A148-I151 PolarHBondContact O-N 2.84Å; E149-I151 VanDerWaalsContact C-N 3.3Å; I151-P153 VanDerWaalsContact O-CD 3.25Å; I151-P153 WeakPolarHBondContact O-CD 2.96Å
152D89.9Confident87.6Confident77 Ų7782.6 Ų82.641%0.41246%0.457SS..BIsolated β-bridgetrans-70.1114.5168.5174.512.2000108.9G5 S6 A154G5-D152 CarbonylContact C-O 3.54Å; G5-D152 WeakPolarHBondContact CA-O 2.83Å; S6-D152 PolarHBondContact N-O 2.84Å; S6-D152 PolarHBondContact O-N 3.32Å; D152-A154 VanDerWaalsContact C-N 3.25Å; D152-A154 PolarHBondContact O-N 3.37Å; D152-A154 PolarHBondContact OD1-N 3.44Å
153P86.9Confident87.6Confident109 Ų10979.5 Ų79.571%0.70845%0.45SS*.SBendtrans-73.3-15.5-176.931-36.1000113.2I151 P155I151-P153 VanDerWaalsContact O-CD 3.25Å; I151-P153 WeakPolarHBondContact O-CD 2.96Å; P153-P155 VanDerWaalsContact C-CD 3.5Å
154A81.5Confident87.7Confident78 Ų7874 Ų7465%0.64542%0.417SS*.  trans-132.556.9-169.500000114D152D152-A154 VanDerWaalsContact C-N 3.25Å; D152-A154 PolarHBondContact O-N 3.37Å; D152-A154 PolarHBondContact OD1-N 3.44Å
155P84.1Confident88Confident17 Ų1774.2 Ų74.211%0.1142%0.415CS..  trans-66.5147.3173.529.7-34.7000111.3L3 P153 Q157 Y180L3-P155 HydrophobicContact CD2-CG 4.26Å; P153-P155 VanDerWaalsContact C-CD 3.5Å; P155-Q157 PolarHBondContact O-N 2.86Å; P155-Y180 HydrophobicContact CB-CD2 3.93Å; P155-Y180 HydrophobicContact CB-CE2 3.91Å; P155-Y180 HydrophobicContact CG-CD2 4.42Å
156F88.2Confident88.4Confident74 Ų7470.3 Ų70.333%0.32540%0.399SS..  trans-63126.2178.1-176.8-95.6000111.6L158 L170 L174 I176 A179 Y180F156-L158 HydrophobicContact CE1-CD2 3.68Å; F156-L158 HydrophobicContact CE1-CG 4.16Å; F156-L158 HydrophobicContact CZ-CD2 3.89Å; F156-L170 HydrophobicContact CZ-CB 4.25Å; F156-L170 HydrophobicContact CZ-CD1 4.35Å; F156-L174 HydrophobicContact CD1-CD1 4.31Å; F156-L174 HydrophobicContact CD2-CD1 3.52Å; F156-L174 HydrophobicContact CE1-CD1 3.88Å; F156-L174 HydrophobicContact CE2-CD1 3.03Å; F156-L174 HydrophobicContact CE2-CG 4.49Å; F156-L174 HydrophobicContact CG-CD1 4.13Å; F156-L174 HydrophobicContact CZ-CD1 3.21Å; F156-I176 HydrophobicContact CB-CD1 4.46Å; F156-I176 HydrophobicContact CD1-CD1 3.04Å; F156-I176 HydrophobicContact CE1-CD1 3.26Å; F156-I176 HydrophobicContact CG-CD1 3.82Å; F156-I176 HydrophobicContact CZ-CD1 4.21Å; F156-A179 HydrophobicContact CD1-CB 3.68Å; F156-A179 HydrophobicContact CE1-CB 3.93Å; F156-Y180 PolarHBondContact O-N 3.45Å
157Q91.5Very high88.8Confident80 Ų8066.2 Ų66.237%0.37438%0.382SS..EExtended strand (participates in β ladder)trans-132.4133-167.4-176.7176.6-54.700111P155 Y180 T182P155-Q157 PolarHBondContact O-N 2.86Å; Q157-Y180 CarbonylContact C-O 3.49Å; Q157-Y180 VanDerWaalsContact CA-O 3.32Å; Q157-Y180 WeakPolarHBondContact CA-O 3.36Å; Q157-T182 HydrophobicContact CG-CG2 3.55Å; Q157-T182 VanDerWaalsContact CG-OG1 3.24Å; Q157-T182 WeakPolarHBondContact CG-OG1 3.32Å; Q157-T182 PolarHBondContact NE2-OG1 2.71Å
158L93.3Very high89.3Confident8 Ų863.6 Ų63.64%0.04237%0.365CS..EExtended strand (participates in β ladder)trans-95.6147.2168.2-63.4-176.9000110.4F156 T162 A167 L170 F171 A179 Y180 V181 T182F156-L158 HydrophobicContact CE1-CD2 3.68Å; F156-L158 HydrophobicContact CE1-CG 4.16Å; F156-L158 HydrophobicContact CZ-CD2 3.89Å; L158-T162 HydrophobicContact CD2-CG2 4.18Å; L158-A167 HydrophobicContact CD1-CB 3.92Å; L158-L170 HydrophobicContact CD2-CD1 3.64Å; L158-F171 HydrophobicContact CD1-CE2 4.02Å; L158-A179 HydrophobicContact CD1-CB 4.1Å; L158-A179 HydrophobicContact CG-CB 3.91Å; L158-Y180 PolarHBondContact N-O 3.23Å; L158-V181 HydrophobicContact CB-CG2 4.3Å; L158-V181 WeakPolarHBondContact O-CA 2.95Å; L158-T182 PolarHBondContact O-N 2.84Å; L158-T182 PolarHBondContact O-OG1 3.48Å
159V92.8Very high89.9Confident94 Ų9462.3 Ų62.357%0.5735%0.346SS*.EExtended strand (participates in β ladder)trans-80.5144.1168.6-177.10000108.6N161 T162V159-N161 PolarHBondContact O-N 3.3Å; V159-T162 PolarHBondContact N-OG1 3.37Å; V159-T162 VanDerWaalsContact O-CB 3.3Å; V159-T162 WeakPolarHBondContact O-CB 3.15Å; V159-T162 PolarHBondContact O-N 2.77Å; V159-T162 PolarHBondContact O-OG1 3.26Å
160E88.5Confident90.3Very high78 Ų7855.2 Ų55.236%0.36431%0.314SS..THydrogen-bonded Turntrans-43.8-39.8179.9-175.3-178.4-160.900114.3T162 T182 R183 I188E160-T162 VanDerWaalsContact C-N 3.29Å; E160-T162 PolarHBondContact O-N 3.07Å; E160-T182 PolarHBondContact N-O 2.95Å; E160-R183 HydrophobicContact CB-CB 4.22Å; E160-R183 VanDerWaalsContact OE2-CB 3.32Å; E160-R183 WeakPolarHBondContact OE2-CB 3.44Å; E160-R183 WeakPolarHBondContact OE2-CD 3.19Å; E160-R183 WeakPolarHBondContact OE2-CG 3.38Å; E160-R183 IonicContact OE2-NE 3.47Å; E160-R183 PolarHBondContact OE2-NE 3.22Å; E160-I188 HydrophobicContact CB-CD1 4Å; E160-I188 VanDerWaalsContact CD-CD1 3.42Å; E160-I188 HydrophobicContact CG-CD1 3.7Å
161N88.8Confident90.7Very high134 Ų13453.8 Ų53.872%0.71731%0.307SS*.THydrogen-bonded Turntrans-89.916.8-177.3-62.2-27.5000114V159 G163V159-N161 PolarHBondContact O-N 3.3Å; N161-G163 PolarHBondContact O-N 3.45Å; N161-G163 VanDerWaalsContact O-N 3.13Å
162T92Very high90.8Very high29 Ų2956.9 Ų56.918%0.17832%0.323CS..  trans-69.2111.9176.4-53.10000109L158 V159 E160 L166 A167 L170L158-T162 HydrophobicContact CD2-CG2 4.18Å; V159-T162 PolarHBondContact N-OG1 3.37Å; V159-T162 VanDerWaalsContact O-CB 3.3Å; V159-T162 WeakPolarHBondContact O-CB 3.15Å; V159-T162 PolarHBondContact O-N 2.77Å; V159-T162 PolarHBondContact O-OG1 3.26Å; E160-T162 VanDerWaalsContact C-N 3.29Å; E160-T162 PolarHBondContact O-N 3.07Å; T162-L166 HydrophobicContact CG2-CB 4.16Å; T162-L166 HydrophobicContact CG2-CD2 4.08Å; T162-L166 HydrophobicContact CG2-CG 4.07Å; T162-A167 HydrophobicContact CG2-CB 4.04Å; T162-L170 HydrophobicContact CG2-CD1 4.44Å
163G91.8Very high91Very high29 Ų2960.1 Ų60.130%0.29934%0.336SS..  trans-60.8145.1175.700000111.6N161 M165 L166 A167N161-G163 PolarHBondContact O-N 3.45Å; N161-G163 VanDerWaalsContact O-N 3.13Å; G163-M165 PolarHBondContact O-N 2.89Å; G163-M165 VanDerWaalsContact O-N 3.14Å; G163-L166 PolarHBondContact O-N 3.18Å; G163-A167 PolarHBondContact O-N 3.19Å
164V91.9Very high91.3Very high10 Ų1059.1 Ų59.16%0.06133%0.325CS..Hα-helixtrans-61-27.7-174.6156.30000114.4S168 I196 L200 W227V164-S168 WeakPolarHBondContact O-CB 3.28Å; V164-S168 PolarHBondContact O-N 3.3Å; V164-I196 HydrophobicContact CG2-CD1 4.25Å; V164-L200 HydrophobicContact CG1-CB 4.06Å; V164-W227 HydrophobicContact CB-CZ2 3.69Å; V164-W227 HydrophobicContact CG1-CZ2 3.92Å; V164-W227 HydrophobicContact CG2-CD2 3.47Å; V164-W227 VanDerWaalsContact CG2-CD2 3.47Å; V164-W227 HydrophobicContact CG2-CE3 3.98Å; V164-W227 HydrophobicContact CG2-CG 4.06Å; V164-W227 HydrophobicContact CG2-CH2 4.04Å; V164-W227 HydrophobicContact CG2-CZ2 3.38Å; V164-W227 HydrophobicContact CG2-CZ3 4.24Å
165M91.4Very high91.9Very high54 Ų5458.5 Ų58.527%0.26633%0.326SS..Hα-helixtrans-61.8-50.1171.7-60.8-62.613500111.4G163 S168 I169 L200 A203 L209G163-M165 PolarHBondContact O-N 2.89Å; G163-M165 VanDerWaalsContact O-N 3.14Å; M165-S168 PolarHBondContact O-N 3.38Å; M165-I169 WeakPolarHBondContact O-CG1 3.37Å; M165-I169 PolarHBondContact O-N 2.93Å; M165-L200 HydrophobicContact CE-CD1 3.21Å; M165-L200 HydrophobicContact CE-CG 4.34Å; M165-L200 HydrophobicContact SD-CD1 3.18Å; M165-L200 WeakPolarHBondContact SD-CD1 3.17Å; M165-A203 HydrophobicContact CE-CB 3.56Å; M165-L209 HydrophobicContact CE-CD1 3.47Å; M165-L209 VanDerWaalsContact CE-CD1 3.47Å; M165-L209 HydrophobicContact CE-CD2 3.62Å; M165-L209 HydrophobicContact CE-CG 4.18Å; M165-L209 HydrophobicContact CG-CD2 3.55Å; M165-L209 HydrophobicContact SD-CD1 4.25Å; M165-L209 HydrophobicContact SD-CD2 3.66Å
166L92.9Very high92.3Very high93 Ų9359.5 Ų59.549%0.48733%0.33SS..Hα-helixtrans-65.6-43.3179179.859.2000110.6T162 G163 S168 I169 L170T162-L166 HydrophobicContact CG2-CB 4.16Å; T162-L166 HydrophobicContact CG2-CD2 4.08Å; T162-L166 HydrophobicContact CG2-CG 4.07Å; G163-L166 PolarHBondContact O-N 3.18Å; L166-S168 VanDerWaalsContact C-N 3.3Å; L166-S168 PolarHBondContact O-N 2.85Å; L166-I169 PolarHBondContact O-N 3.41Å; L166-L170 HydrophobicContact CD1-CD1 4.37Å; L166-L170 HydrophobicContact CD1-CG 4.29Å; L166-L170 HydrophobicContact CG-CD1 4.05Å; L166-L170 HydrophobicContact CG-CG 4.43Å; L166-L170 WeakPolarHBondContact O-CB 3.18Å; L166-L170 VanDerWaalsContact O-CG 3.29Å; L166-L170 WeakPolarHBondContact O-CG 3.42Å; L166-L170 PolarHBondContact O-N 3.41Å
167A93.5Very high92.4Very high2 Ų264.3 Ų64.32%0.01735%0.351CS..Hα-helixtrans-58.4-42.2174.200000111.6L158 T162 G163 I169 L170 F171 I196L158-A167 HydrophobicContact CD1-CB 3.92Å; T162-A167 HydrophobicContact CG2-CB 4.04Å; G163-A167 PolarHBondContact O-N 3.19Å; A167-I169 PolarHBondContact O-N 3.45Å; A167-L170 PolarHBondContact O-N 3.05Å; A167-F171 WeakPolarHBondContact O-CB 3.44Å; A167-F171 WeakPolarHBondContact O-CD2 3.32Å; A167-F171 PolarHBondContact O-N 3Å; A167-I196 HydrophobicContact CB-CD1 3.63Å
168S92.7Very high92.5Very high11 Ų1163.6 Ų63.68%0.07735%0.354CS..Hα-helixtrans-63.5-40.5175.6-175.70000113V164 M165 L166 N172V164-S168 WeakPolarHBondContact O-CB 3.28Å; V164-S168 PolarHBondContact O-N 3.3Å; M165-S168 PolarHBondContact O-N 3.38Å; L166-S168 VanDerWaalsContact C-N 3.3Å; L166-S168 PolarHBondContact O-N 2.85Å; S168-N172 VanDerWaalsContact O-CG 3.26Å; S168-N172 PolarHBondContact O-N 3.11Å; S168-N172 VanDerWaalsContact O-N 3.11Å; S168-N172 PolarHBondContact O-ND2 3.42Å
169I94.4Very high92.4Very high57 Ų5763.2 Ų63.229%0.29235%0.352SS..Hα-helixtrans-63.4-47.6175.8-69.2161.6000109.6M165 L166 A167 F171 N172 Q173 M212M165-I169 WeakPolarHBondContact O-CG1 3.37Å; M165-I169 PolarHBondContact O-N 2.93Å; L166-I169 PolarHBondContact O-N 3.41Å; A167-I169 PolarHBondContact O-N 3.45Å; I169-F171 PolarHBondContact O-N 2.99Å; I169-N172 PolarHBondContact O-N 3.18Å; I169-Q173 HydrophobicContact CG2-CG 4.12Å; I169-Q173 WeakPolarHBondContact O-CB 3.31Å; I169-Q173 WeakPolarHBondContact O-CG 3.43Å; I169-Q173 PolarHBondContact O-N 2.83Å; I169-M212 HydrophobicContact CD1-CE 4.42Å; I169-M212 HydrophobicContact CD1-SD 4.4Å
170L94.2Very high92.5Very high41 Ų4161.9 Ų61.922%0.21534%0.337CS..Hα-helixtrans-60.3-43.5178.7-70.2170.7000112F156 L158 T162 L166 A167 N172 Q173 L174F156-L170 HydrophobicContact CZ-CB 4.25Å; F156-L170 HydrophobicContact CZ-CD1 4.35Å; L158-L170 HydrophobicContact CD2-CD1 3.64Å; T162-L170 HydrophobicContact CG2-CD1 4.44Å; L166-L170 HydrophobicContact CD1-CD1 4.37Å; L166-L170 HydrophobicContact CD1-CG 4.29Å; L166-L170 HydrophobicContact CG-CD1 4.05Å; L166-L170 HydrophobicContact CG-CG 4.43Å; L166-L170 WeakPolarHBondContact O-CB 3.18Å; L166-L170 VanDerWaalsContact O-CG 3.29Å; L166-L170 WeakPolarHBondContact O-CG 3.42Å; L166-L170 PolarHBondContact O-N 3.41Å; A167-L170 PolarHBondContact O-N 3.05Å; L170-N172 VanDerWaalsContact C-N 3.34Å; L170-N172 PolarHBondContact O-N 3.43Å; L170-Q173 PolarHBondContact O-N 2.78Å; L170-L174 VanDerWaalsContact O-CB 3.29Å; L170-L174 WeakPolarHBondContact O-CB 3.38Å; L170-L174 VanDerWaalsContact O-CG 3.26Å; L170-L174 WeakPolarHBondContact O-CG 3.47Å; L170-L174 PolarHBondContact O-N 3.17Å
171F94.2Very high92.7Very high2 Ų258.9 Ų58.91%0.00932%0.324CS..Hα-helixtrans-60.8-42.8176.9-89.8-120.2000112.1L158 A167 I169 G175 I176 A179 V191 L193 I196L158-F171 HydrophobicContact CD1-CE2 4.02Å; A167-F171 WeakPolarHBondContact O-CB 3.44Å; A167-F171 WeakPolarHBondContact O-CD2 3.32Å; A167-F171 PolarHBondContact O-N 3Å; I169-F171 PolarHBondContact O-N 2.99Å; F171-G175 WeakPolarHBondContact O-CA 3.4Å; F171-G175 PolarHBondContact O-N 2.91Å; F171-I176 HydrophobicContact CB-CG1 4.49Å; F171-I176 HydrophobicContact CD1-CG1 4.22Å; F171-I176 WeakPolarHBondContact CD1-O 3.31Å; F171-I176 HydrophobicContact CD2-CD1 4.09Å; F171-I176 HydrophobicContact CD2-CG1 4.26Å; F171-I176 HydrophobicContact CE2-CD1 4.18Å; F171-I176 HydrophobicContact CG-CD1 4.43Å; F171-I176 HydrophobicContact CG-CG1 4.08Å; F171-I176 PolarHBondContact O-N 2.76Å; F171-A179 HydrophobicContact CE2-CB 3.6Å; F171-A179 HydrophobicContact CZ-CB 3.66Å; F171-V191 HydrophobicContact CZ-CG1 4.38Å; F171-V191 WeakPolarHBondContact CZ-O 3.43Å; F171-L193 HydrophobicContact CB-CD1 4.07Å; F171-L193 HydrophobicContact CD1-CB 3.92Å; F171-L193 HydrophobicContact CD1-CD1 3.81Å; F171-L193 HydrophobicContact CD1-CG 4.47Å; F171-L193 HydrophobicContact CE1-CB 4.2Å; F171-L193 HydrophobicContact CG-CD1 4.39Å; F171-I196 HydrophobicContact CD2-CG1 4.46Å; F171-I196 HydrophobicContact CE1-CG1 4.3Å; F171-I196 HydrophobicContact CE2-CG1 4.2Å; F171-I196 HydrophobicContact CZ-CG1 4.1Å
172N92.6Very high92.9Very high117 Ų11752.7 Ų52.763%0.62629%0.291SS*.Hα-helixtrans-70.3-41178.3-70.1-17.6000112.2S168 I169 L170S168-N172 VanDerWaalsContact O-CG 3.26Å; S168-N172 PolarHBondContact O-N 3.11Å; S168-N172 VanDerWaalsContact O-N 3.11Å; S168-N172 PolarHBondContact O-ND2 3.42Å; I169-N172 PolarHBondContact O-N 3.18Å; L170-N172 VanDerWaalsContact C-N 3.34Å; L170-N172 PolarHBondContact O-N 3.43Å
173Q94.5Very high93Very high145 Ų14558 Ų5868%0.67831%0.308SS*.Hα-helixtrans-68.2-37.5-179.8-76.3-178.7-16.200112.5I169 L170I169-Q173 HydrophobicContact CG2-CG 4.12Å; I169-Q173 WeakPolarHBondContact O-CB 3.31Å; I169-Q173 WeakPolarHBondContact O-CG 3.43Å; I169-Q173 PolarHBondContact O-N 2.83Å; L170-Q173 PolarHBondContact O-N 2.78Å
174L93.1Very high92.9Very high89 Ų8964.6 Ų64.647%0.46634%0.335SS..Hα-helixtrans-93.6-11.4-176.2-60169.6000113.2F156 L170 I176F156-L174 HydrophobicContact CD1-CD1 4.31Å; F156-L174 HydrophobicContact CD2-CD1 3.52Å; F156-L174 HydrophobicContact CE1-CD1 3.88Å; F156-L174 HydrophobicContact CE2-CD1 3.03Å; F156-L174 HydrophobicContact CE2-CG 4.49Å; F156-L174 HydrophobicContact CG-CD1 4.13Å; F156-L174 HydrophobicContact CZ-CD1 3.21Å; L170-L174 VanDerWaalsContact O-CB 3.29Å; L170-L174 WeakPolarHBondContact O-CB 3.38Å; L170-L174 VanDerWaalsContact O-CG 3.26Å; L170-L174 WeakPolarHBondContact O-CG 3.47Å; L170-L174 PolarHBondContact O-N 3.17Å; L174-I176 HydrophobicContact CB-CD1 4.43Å; L174-I176 HydrophobicContact CB-CG1 4.19Å; L174-I176 HydrophobicContact CB-CG2 3.95Å; L174-I176 HydrophobicContact CD1-CD1 4.23Å; L174-I176 PolarHBondContact O-N 2.74Å
175G93.4Very high92.7Very high65 Ų6565.4 Ų65.467%0.6735%0.346SS*.THydrogen-bonded Turntrans6422.3-177.200000113.8F171F171-G175 WeakPolarHBondContact O-CA 3.4Å; F171-G175 PolarHBondContact O-N 2.91Å
176I92.1Very high92.8Very high38 Ų3870.7 Ų70.720%0.19536%0.363CS..  trans-84.3146.7-17859.4175.8000111.7F156 F171 L174 A179F156-I176 HydrophobicContact CB-CD1 4.46Å; F156-I176 HydrophobicContact CD1-CD1 3.04Å; F156-I176 HydrophobicContact CE1-CD1 3.26Å; F156-I176 HydrophobicContact CG-CD1 3.82Å; F156-I176 HydrophobicContact CZ-CD1 4.21Å; F171-I176 HydrophobicContact CB-CG1 4.49Å; F171-I176 HydrophobicContact CD1-CG1 4.22Å; F171-I176 WeakPolarHBondContact CD1-O 3.31Å; F171-I176 HydrophobicContact CD2-CD1 4.09Å; F171-I176 HydrophobicContact CD2-CG1 4.26Å; F171-I176 HydrophobicContact CE2-CD1 4.18Å; F171-I176 HydrophobicContact CG-CD1 4.43Å; F171-I176 HydrophobicContact CG-CG1 4.08Å; F171-I176 PolarHBondContact O-N 2.76Å; L174-I176 HydrophobicContact CB-CD1 4.43Å; L174-I176 HydrophobicContact CB-CG1 4.19Å; L174-I176 HydrophobicContact CB-CG2 3.95Å; L174-I176 HydrophobicContact CD1-CD1 4.23Å; L174-I176 PolarHBondContact O-N 2.74Å; I176-A179 HydrophobicContact CD1-CB 4.13Å
177K91.5Very high92.8Very high175 Ų17569.7 Ų69.776%0.76136%0.358SS*.SBendtrans-90.7-26.7178.4-64.5178.5-177.7174.40112.9G192 L193K177-G192 CarbonylContact O-C 3.51Å; K177-G192 WeakPolarHBondContact O-CA 3.04Å; K177-L193 PolarHBondContact O-N 2.68Å
178S92.3Very high92.7Very high64 Ų6472.8 Ų72.845%0.44837%0.373SS..EExtended strand (participates in β ladder)trans-150.8150.2-176.853.60000110.4V191S178-V191 CarbonylContact C-O 3.45Å; S178-V191 WeakPolarHBondContact CA-O 3.45Å
179A93Very high92.6Very high0 Ų072.8 Ų72.80%038%0.375CS..EExtended strand (participates in β ladder)trans-135.7146175.800000110.2F156 L158 F171 I176 V191F156-A179 HydrophobicContact CD1-CB 3.68Å; F156-A179 HydrophobicContact CE1-CB 3.93Å; L158-A179 HydrophobicContact CD1-CB 4.1Å; L158-A179 HydrophobicContact CG-CB 3.91Å; F171-A179 HydrophobicContact CE2-CB 3.6Å; F171-A179 HydrophobicContact CZ-CB 3.66Å; I176-A179 HydrophobicContact CD1-CB 4.13Å; A179-V191 PolarHBondContact N-O 3.48Å; A179-V191 PolarHBondContact O-N 3.35Å
180Y93Very high92.6Very high67 Ų6773.6 Ų73.626%0.26338%0.383SS..EExtended strand (participates in β ladder)trans-82.2135.7173.8-62.4-83000109.7L3 P155 F156 Q157 L158 L187 V190L3-Y180 HydrophobicContact CD2-CG 4.35Å; P155-Y180 HydrophobicContact CB-CD2 3.93Å; P155-Y180 HydrophobicContact CB-CE2 3.91Å; P155-Y180 HydrophobicContact CG-CD2 4.42Å; F156-Y180 PolarHBondContact O-N 3.45Å; Q157-Y180 CarbonylContact C-O 3.49Å; Q157-Y180 VanDerWaalsContact CA-O 3.32Å; Q157-Y180 WeakPolarHBondContact CA-O 3.36Å; L158-Y180 PolarHBondContact N-O 3.23Å; Y180-L187 HydrophobicContact CD1-CD1 3.85Å; Y180-L187 HydrophobicContact CG-CD1 4.39Å; Y180-V190 HydrophobicContact CD1-CG2 3.59Å; Y180-V190 HydrophobicContact CE1-CG2 3.73Å
181V92.9Very high92.5Very high15 Ų1572.5 Ų72.59%0.09138%0.378CS..EExtended strand (participates in β ladder)trans-104.6128176.2-175.90000109L158 I188 G189 V191L158-V181 HydrophobicContact CB-CG2 4.3Å; L158-V181 WeakPolarHBondContact O-CA 2.95Å; V181-I188 PolarHBondContact O-N 3.46Å; V181-G189 PolarHBondContact N-O 3.44Å; V181-G189 PolarHBondContact O-N 3.36Å; V181-V191 HydrophobicContact CG2-CB 4.19Å; V181-V191 HydrophobicContact CG2-CG2 3.45Å; V181-V191 VanDerWaalsContact CG2-CG2 3.45Å
182T93.5Very high92.5Very high4 Ų473 Ų733%0.02538%0.383CS..EExtended strand (participates in β ladder)trans-132.7154.8-174.960.10000113.2L3 Q157 L158 E160 R186 L187L3-T182 HydrophobicContact CB-CG2 4.48Å; L3-T182 HydrophobicContact CD2-CG2 4.08Å; Q157-T182 HydrophobicContact CG-CG2 3.55Å; Q157-T182 VanDerWaalsContact CG-OG1 3.24Å; Q157-T182 WeakPolarHBondContact CG-OG1 3.32Å; Q157-T182 PolarHBondContact NE2-OG1 2.71Å; L158-T182 PolarHBondContact O-N 2.84Å; L158-T182 PolarHBondContact O-OG1 3.48Å; E160-T182 PolarHBondContact N-O 2.95Å; T182-R186 CarbonylContact C-O 3.55Å; T182-R186 WeakPolarHBondContact CA-O 3.41Å; T182-R186 WeakPolarHBondContact CB-O 3.4Å; T182-L187 HydrophobicContact CG2-CD1 4.5Å
183R93.5Very high92.5Very high141 Ų14170 Ų7053%0.53237%0.367SS..EExtended strand (participates in β ladder)trans-128.3116.2169.4179-167.1-171.5173.7-7.1109.1E160 G185 R186 I188E160-R183 HydrophobicContact CB-CB 4.22Å; E160-R183 VanDerWaalsContact OE2-CB 3.32Å; E160-R183 WeakPolarHBondContact OE2-CB 3.44Å; E160-R183 WeakPolarHBondContact OE2-CD 3.19Å; E160-R183 WeakPolarHBondContact OE2-CG 3.38Å; E160-R183 IonicContact OE2-NE 3.47Å; E160-R183 PolarHBondContact OE2-NE 3.22Å; R183-G185 PolarHBondContact O-N 2.91Å; R183-R186 PolarHBondContact N-O 2.95Å; R183-R186 WeakPolarHBondContact O-CB 3.13Å; R183-R186 PolarHBondContact O-N 3.04Å; R183-I188 HydrophobicContact CB-CD1 3.36Å; R183-I188 HydrophobicContact CB-CG1 4.16Å; R183-I188 HydrophobicContact CG-CD1 4.42Å
184L90.4Very high92.4Very high166 Ų16671.9 Ų71.987%0.86937%0.368SS*.THydrogen-bonded Turntrans50.344-178.3-54.1176.1000111.7R186L184-R186 PolarHBondContact O-N 3.11Å
185G88.5Confident92.4Very high27 Ų2772.1 Ų72.128%0.27837%0.367SS..THydrogen-bonded Turntrans76.4-6.6-177.500000115.7I2 L3 R183I2-G185 WeakPolarHBondContact CA-O 3.4Å; L3-G185 PolarHBondContact N-O 2.79Å; R183-G185 PolarHBondContact O-N 2.91Å
186R92.6Very high92.4Very high165 Ų16569.4 Ų69.462%0.62334%0.337SS*.EExtended strand (participates in β ladder)trans-82.1127.2174.7-60.9-180178.5-179.9-0.2110.3M1 T182 R183 L184 I188M1-R186 VanDerWaalsContact O-CA 3.29Å; M1-R186 WeakPolarHBondContact O-CA 3.33Å; T182-R186 CarbonylContact C-O 3.55Å; T182-R186 WeakPolarHBondContact CA-O 3.41Å; T182-R186 WeakPolarHBondContact CB-O 3.4Å; R183-R186 PolarHBondContact N-O 2.95Å; R183-R186 WeakPolarHBondContact O-CB 3.13Å; R183-R186 PolarHBondContact O-N 3.04Å; L184-R186 PolarHBondContact O-N 3.11Å; R186-I188 PolarHBondContact O-N 2.93Å
187L92.3Very high92.4Very high72 Ų7273.8 Ų73.838%0.37735%0.351SS..EExtended strand (participates in β ladder)trans-66.9121.2173.9-176.966000109.7M1 L3 Y180 T182 G189M1-L187 PolarHBondContact O-N 2.66Å; L3-L187 HydrophobicContact CB-CB 4.4Å; Y180-L187 HydrophobicContact CD1-CD1 3.85Å; Y180-L187 HydrophobicContact CG-CD1 4.39Å; T182-L187 HydrophobicContact CG2-CD1 4.5Å; L187-G189 WeakPolarHBondContact CD1-O 3.24Å
188I91.8Very high92.5Very high67 Ų6771.7 Ų71.734%0.34434%0.344SS..EExtended strand (participates in β ladder)trans-97.6-40.5173.9-66.8177000110.1E160 V181 R183 R186E160-I188 HydrophobicContact CB-CD1 4Å; E160-I188 VanDerWaalsContact CD-CD1 3.42Å; E160-I188 HydrophobicContact CG-CD1 3.7Å; V181-I188 PolarHBondContact O-N 3.46Å; R183-I188 HydrophobicContact CB-CD1 3.36Å; R183-I188 HydrophobicContact CB-CG1 4.16Å; R183-I188 HydrophobicContact CG-CD1 4.42Å; R186-I188 PolarHBondContact O-N 2.93Å
189G91.9Very high92.4Very high12 Ų1268.8 Ų68.812%0.12432%0.324CS..EExtended strand (participates in β ladder)trans-176.2-176.1-177.400000113.4V181 L187V181-G189 PolarHBondContact N-O 3.44Å; V181-G189 PolarHBondContact O-N 3.36Å; L187-G189 WeakPolarHBondContact CD1-O 3.24Å
190V92.6Very high92.3Very high73 Ų7369.8 Ų69.844%0.44233%0.329SS..EExtended strand (participates in β ladder)trans-123.7134.7175.1-175.30000107.7Y180Y180-V190 HydrophobicContact CD1-CG2 3.59Å; Y180-V190 HydrophobicContact CE1-CG2 3.73Å
191V93Very high92.2Very high18 Ų1872.5 Ų72.511%0.10934%0.344CS..EExtended strand (participates in β ladder)trans-115.1131.2178.1174.80000108.6F171 S178 A179 V181 E195 I196 F229F171-V191 HydrophobicContact CZ-CG1 4.38Å; F171-V191 WeakPolarHBondContact CZ-O 3.43Å; S178-V191 CarbonylContact C-O 3.45Å; S178-V191 WeakPolarHBondContact CA-O 3.45Å; A179-V191 PolarHBondContact N-O 3.48Å; A179-V191 PolarHBondContact O-N 3.35Å; V181-V191 HydrophobicContact CG2-CB 4.19Å; V181-V191 HydrophobicContact CG2-CG2 3.45Å; V181-V191 VanDerWaalsContact CG2-CG2 3.45Å; V191-E195 HydrophobicContact CG1-CB 4.39Å; V191-I196 HydrophobicContact CG1-CD1 3.37Å; V191-I196 HydrophobicContact CG1-CG1 3.43Å; V191-I196 VanDerWaalsContact CG1-CG1 3.43Å; V191-F229 HydrophobicContact CG2-CE2 3.8Å
192G94Very high92Very high13 Ų1375.5 Ų75.513%0.13436%0.362CS..EExtended strand (participates in β ladder)trans-101167.5173.700000112.9K177 R194 E195 I196K177-G192 CarbonylContact O-C 3.51Å; K177-G192 WeakPolarHBondContact O-CA 3.04Å; G192-R194 PolarHBondContact O-N 2.95Å; G192-E195 WeakPolarHBondContact CA-OE2 3.1Å; G192-E195 PolarHBondContact N-OE2 2.75Å; G192-E195 VanDerWaalsContact N-OE2 3.17Å; G192-E195 PolarHBondContact O-N 3.49Å; G192-E195 VanDerWaalsContact O-OE2 3.06Å; G192-I196 WeakPolarHBondContact O-CG1 3.23Å; G192-I196 PolarHBondContact O-N 3.28Å
193L93Very high91.7Very high54 Ų5475.6 Ų75.628%0.28336%0.363SS..Hα-helixtrans-63-27.3179.1-179.764.7000112.4F171 K177 R197F171-L193 HydrophobicContact CB-CD1 4.07Å; F171-L193 HydrophobicContact CD1-CB 3.92Å; F171-L193 HydrophobicContact CD1-CD1 3.81Å; F171-L193 HydrophobicContact CD1-CG 4.47Å; F171-L193 HydrophobicContact CE1-CB 4.2Å; F171-L193 HydrophobicContact CG-CD1 4.39Å; K177-L193 PolarHBondContact O-N 2.68Å; L193-R197 WeakPolarHBondContact O-CB 3.37Å; L193-R197 VanDerWaalsContact O-CG 3.31Å; L193-R197 WeakPolarHBondContact O-CG 3.4Å; L193-R197 PolarHBondContact O-N 2.79Å; L193-R197 VanDerWaalsContact O-N 3.13Å; L193-R197 PolarHBondContact O-NE 2.95Å
194R92.7Very high91.3Very high184 Ų18476.5 Ų76.569%0.69437%0.367SS*.Hα-helixtrans-70-46178.3-69-178-73.8-155.4-2.2110.4G192 R197 Q198G192-R194 PolarHBondContact O-N 2.95Å; R194-R197 PolarHBondContact O-N 3Å; R194-Q198 PolarHBondContact O-N 3.01Å
195E92.5Very high90.9Very high95 Ų9579.1 Ų79.144%0.44437%0.365SS..Hα-helixtrans-64.6-42.7179.2-61.877.6-174.500110.7V191 G192 G199V191-E195 HydrophobicContact CG1-CB 4.39Å; G192-E195 WeakPolarHBondContact CA-OE2 3.1Å; G192-E195 PolarHBondContact N-OE2 2.75Å; G192-E195 VanDerWaalsContact N-OE2 3.17Å; G192-E195 PolarHBondContact O-N 3.49Å; G192-E195 VanDerWaalsContact O-OE2 3.06Å; E195-G199 PolarHBondContact O-N 3.02Å
196I93.2Very high90.3Very high7 Ų782.2 Ų82.24%0.03638%0.383CS..Hα-helixtrans-62.2-43.5174.3-67.7-60.9000112V164 A167 F171 V191 G192 G199 L200V164-I196 HydrophobicContact CG2-CD1 4.25Å; A167-I196 HydrophobicContact CB-CD1 3.63Å; F171-I196 HydrophobicContact CD2-CG1 4.46Å; F171-I196 HydrophobicContact CE1-CG1 4.3Å; F171-I196 HydrophobicContact CE2-CG1 4.2Å; F171-I196 HydrophobicContact CZ-CG1 4.1Å; V191-I196 HydrophobicContact CG1-CD1 3.37Å; V191-I196 HydrophobicContact CG1-CG1 3.43Å; V191-I196 VanDerWaalsContact CG1-CG1 3.43Å; G192-I196 WeakPolarHBondContact O-CG1 3.23Å; G192-I196 PolarHBondContact O-N 3.28Å; I196-G199 PolarHBondContact O-N 3.45Å; I196-L200 VanDerWaalsContact O-CB 3.23Å; I196-L200 WeakPolarHBondContact O-CB 3.21Å; I196-L200 PolarHBondContact O-N 2.78Å
197R91.8Very high88.7Confident131 Ų13181.8 Ų81.849%0.49439%0.388SS..Hα-helixtrans-66.1-48.5179.4-76.8-174.6-64.3162.3-0.1112.4L193 R194 G199 L200 E201L193-R197 WeakPolarHBondContact O-CB 3.37Å; L193-R197 VanDerWaalsContact O-CG 3.31Å; L193-R197 WeakPolarHBondContact O-CG 3.4Å; L193-R197 PolarHBondContact O-N 2.79Å; L193-R197 VanDerWaalsContact O-N 3.13Å; L193-R197 PolarHBondContact O-NE 2.95Å; R194-R197 PolarHBondContact O-N 3Å; R197-G199 PolarHBondContact O-N 3.36Å; R197-L200 WeakPolarHBondContact O-CB 3.32Å; R197-L200 PolarHBondContact O-N 3.48Å; R197-E201 WeakPolarHBondContact O-CG 3.36Å; R197-E201 PolarHBondContact O-N 2.89Å
198Q93.3Very high87Confident131 Ų13185.9 Ų85.961%0.61241%0.41SS*.Hα-helixtrans-57-38.9173.7-177.9-179.99.100110.5R194 E201 T202R194-Q198 PolarHBondContact O-N 3.01Å; Q198-E201 PolarHBondContact O-N 3.44Å; Q198-T202 WeakPolarHBondContact O-CB 3.39Å; Q198-T202 PolarHBondContact O-N 3.21Å; Q198-T202 PolarHBondContact O-OG1 3.23Å
199G90.1Very high85.2Confident2 Ų285.7 Ų85.72%0.02141%0.409CS..Hα-helixtrans-70.4-37.3-179.100000114E195 I196 R197 T202 A203 W227E195-G199 PolarHBondContact O-N 3.02Å; I196-G199 PolarHBondContact O-N 3.45Å; R197-G199 PolarHBondContact O-N 3.36Å; G199-T202 PolarHBondContact O-N 3.08Å; G199-A203 VanDerWaalsContact O-CB 3.28Å; G199-A203 WeakPolarHBondContact O-CB 3.36Å; G199-A203 PolarHBondContact O-N 3.42Å; G199-W227 VanDerWaalsContact C-CH2 3.48Å; G199-W227 WeakPolarHBondContact O-CH2 3.3Å; G199-W227 WeakPolarHBondContact O-CZ2 3.12Å
200L90.8Very high83.1Confident21 Ų2189.2 Ų89.211%0.1143%0.43CS..Hα-helixtrans-65.4-40174.4-179.473.4000111.6V164 M165 I196 R197 R204V164-L200 HydrophobicContact CG1-CB 4.06Å; M165-L200 HydrophobicContact CE-CD1 3.21Å; M165-L200 HydrophobicContact CE-CG 4.34Å; M165-L200 HydrophobicContact SD-CD1 3.18Å; M165-L200 WeakPolarHBondContact SD-CD1 3.17Å; I196-L200 VanDerWaalsContact O-CB 3.23Å; I196-L200 WeakPolarHBondContact O-CB 3.21Å; I196-L200 PolarHBondContact O-N 2.78Å; R197-L200 WeakPolarHBondContact O-CB 3.32Å; R197-L200 PolarHBondContact O-N 3.48Å; L200-R204 WeakPolarHBondContact O-CB 3.46Å; L200-R204 WeakPolarHBondContact O-CG 3.47Å; L200-R204 PolarHBondContact O-N 2.73Å
201E91Very high80.8Confident124 Ų12490.9 Ų90.958%0.57944%0.442SS*.Hα-helixtrans-65.6-42.8173.6-72.3171.4-168.300111.7R197 Q198 R204 R205R197-E201 WeakPolarHBondContact O-CG 3.36Å; R197-E201 PolarHBondContact O-N 2.89Å; Q198-E201 PolarHBondContact O-N 3.44Å; E201-R204 PolarHBondContact O-N 3.08Å; E201-R205 WeakPolarHBondContact O-CB 3.04Å; E201-R205 PolarHBondContact O-N 2.85Å
202T89.7Confident78.8Confident78 Ų7897.7 Ų97.748%0.47948%0.475SS..Hα-helixtrans-64-44.8176.7-55.70000111.1Q198 G199 R204 R205 S206Q198-T202 WeakPolarHBondContact O-CB 3.39Å; Q198-T202 PolarHBondContact O-N 3.21Å; Q198-T202 PolarHBondContact O-OG1 3.23Å; G199-T202 PolarHBondContact O-N 3.08Å; T202-R204 VanDerWaalsContact C-N 3.29Å; T202-R204 PolarHBondContact O-N 3.47Å; T202-R205 PolarHBondContact O-N 3.27Å; T202-S206 WeakPolarHBondContact O-CB 3.1Å; T202-S206 PolarHBondContact O-N 3.23Å
203A86.1Confident76.3Confident6 Ų6104.1 Ų104.15%0.0551%0.507CS..Hα-helixtrans-61.9-36.4175.300000112.1M165 G199 L209 I225M165-A203 HydrophobicContact CE-CB 3.56Å; G199-A203 VanDerWaalsContact O-CB 3.28Å; G199-A203 WeakPolarHBondContact O-CB 3.36Å; G199-A203 PolarHBondContact O-N 3.42Å; A203-L209 HydrophobicContact CB-CD1 4.33Å; A203-L209 WeakPolarHBondContact O-CD1 2.85Å; A203-I225 HydrophobicContact CB-CD1 3.85Å
204R85.1Confident73.6Confident160 Ų160109.9 Ų109.960%0.60453%0.532SS*.Hα-helixtrans-69.4-38.3173.7-79.8-171-97.9-168.3-3.4112.9L200 E201 T202 L209L200-R204 WeakPolarHBondContact O-CB 3.46Å; L200-R204 WeakPolarHBondContact O-CG 3.47Å; L200-R204 PolarHBondContact O-N 2.73Å; E201-R204 PolarHBondContact O-N 3.08Å; T202-R204 VanDerWaalsContact C-N 3.29Å; T202-R204 PolarHBondContact O-N 3.47Å; R204-L209 HydrophobicContact CG-CD1 3.88Å
205R82.8Confident71.1Confident221 Ų221107 Ų10783%0.83454%0.537SS*.Hα-helixtrans-75-28.3178.6-176178.3-75.5-176.5-2.7113.1E201 T202 E207E201-R205 WeakPolarHBondContact O-CB 3.04Å; E201-R205 PolarHBondContact O-N 2.85Å; T202-R205 PolarHBondContact O-N 3.27Å; R205-E207 PolarHBondContact O-N 3.2Å
206S76.4Confident68.2Low93 Ų93111.8 Ų111.865%0.6556%0.559SS**THydrogen-bonded Turntrans-76.4-1-177.2-1700000114.6T202T202-S206 WeakPolarHBondContact O-CB 3.1Å; T202-S206 PolarHBondContact O-N 3.23Å
207E58.8Low65.4Low155 Ų155117.1 Ų117.172%0.72460%0.597SS**SBendtrans64.9142.8178-55-176.5-175.200114.9R205R205-E207 PolarHBondContact O-N 3.2Å
208N56.3Low62.5Low158 Ų158120 Ų12085%0.84562%0.616SS**  trans89.950.3-175.9-51.8-42.8000119
209L53.1Low59.5Low63 Ų63117.5 Ų117.533%0.3363%0.626SS.*PPolyproline II helixtrans-101.7123.5158.1-79.6144.6000109.8M165 A203 R204M165-L209 HydrophobicContact CE-CD1 3.47Å; M165-L209 VanDerWaalsContact CE-CD1 3.47Å; M165-L209 HydrophobicContact CE-CD2 3.62Å; M165-L209 HydrophobicContact CE-CG 4.18Å; M165-L209 HydrophobicContact CG-CD2 3.55Å; M165-L209 HydrophobicContact SD-CD1 4.25Å; M165-L209 HydrophobicContact SD-CD2 3.66Å; A203-L209 HydrophobicContact CB-CD1 4.33Å; A203-L209 WeakPolarHBondContact O-CD1 2.85Å; R204-L209 HydrophobicContact CG-CD1 3.88Å
210P49.7Very low56.9Low86 Ų86122.7 Ų122.756%0.55866%0.662SS**PPolyproline II helixtrans-62.2143166.325.2-30.4000109.6
211P42.7Very low54.3Low108 Ų108129.8 Ų129.870%0.70170%0.7SS**PPolyproline II helixtrans-57.5146.3-179.623.9-32.9000110.9N213P211-N213 PolarHBondContact O-N 3.34Å
212M52.1Low51.9Low162 Ų162132.1 Ų132.180%0.79871%0.708SS**SBendtrans-64.922.8-174.1-104.9-73.2-72.900115.2I169I169-M212 HydrophobicContact CD1-CE 4.42Å; I169-M212 HydrophobicContact CD1-SD 4.4Å
213N41.2Very low49.4Very low148 Ų148132.9 Ų132.979%0.79172%0.722SS**  trans-146.552.1-167.2-134.428.9000113.4P211P211-N213 PolarHBondContact O-N 3.34Å
214E36.7Very low47.3Very low175 Ų175135.9 Ų135.982%0.81875%0.747SS**  trans-141.9124.5161.1-70-168.2166.400111.6
215P39.2Very low45.3Very low122 Ų122131.9 Ų131.979%0.79274%0.737SS**  trans-77.3140.8175.732.7-31.5000110.6
216E32.5Very low43.2Very low196 Ų196127.2 Ų127.292%0.91673%0.733SS**  trans44.799.8151.9-55.8-170.7170.700118.6
217S34.3Very low41.9Very low119 Ų119128.2 Ų128.283%0.83272%0.723SS**  trans-141.9129.5144.7178.10000110.1
218Q29.9Very low41.2Very low191 Ų191126.1 Ų126.189%0.89373%0.725SS**  trans-57.9149.1-179.1-61.5179.5-12.200112.7
219G30.7Very low40.5Very low80 Ų80123.3 Ų123.383%0.82571%0.706SS**  trans75.280.1148.900000117.4
220S35.6Very low39.9Very low111 Ų111130.9 Ų130.978%0.77673%0.73SS**SBendtrans-173.2145.9131.9-156.70000107.5K222S220-K222 PolarHBondContact O-N 3.37Å
221N36.9Very low39.2Very low169 Ų169134.7 Ų134.790%0.90474%0.738SS**  trans-56.482.3-177.8-68.6-47.6000111.1A223N221-A223 PolarHBondContact O-N 3.27Å
222K39.7Very low38.8Very low173 Ų173135.7 Ų135.775%0.75274%0.742SS**  trans-61.1121.2175.3-87.1-178.2176.3173.90106.2S220 A224S220-K222 PolarHBondContact O-N 3.37Å; K222-A224 VanDerWaalsContact C-N 3.3Å; K222-A224 PolarHBondContact O-N 2.92Å
223A38.8Very low37.9Very low94 Ų94134.5 Ų134.578%0.77774%0.738SS**  trans-40.294.9177.500000109.9N221 I225N221-A223 PolarHBondContact O-N 3.27Å; A223-I225 PolarHBondContact O-N 3.26Å
224A40.8Very low37.6Very low69 Ų69135.9 Ų135.957%0.5774%0.74SS**  trans-58.9112.916400000103K222 T226K222-A224 VanDerWaalsContact C-N 3.3Å; K222-A224 PolarHBondContact O-N 2.92Å; A224-T226 PolarHBondContact O-N 3.3Å; A224-T226 PolarHBondContact O-OG1 3.08Å; A224-T226 VanDerWaalsContact O-OG1 3.11Å
225I43.1Very low37.7Very low77 Ų77137.3 Ų137.340%0.39576%0.76SS.*  trans-59.897.4168.2-62.7173.9000103.3A203 A223 W227A203-I225 HydrophobicContact CB-CD1 3.85Å; A223-I225 PolarHBondContact O-N 3.26Å; I225-W227 HydrophobicContact CG2-CZ2 4.47Å; I225-W227 PolarHBondContact O-N 2.96Å; I225-W227 PolarHBondContact O-NE1 3.08Å
226T39.5Very low37.7Very low123 Ų123138.1 Ų138.176%0.75576%0.759SS**  trans-76.9109.6-175.5-49.70000106.8A224 S228A224-T226 PolarHBondContact O-N 3.3Å; A224-T226 PolarHBondContact O-OG1 3.08Å; A224-T226 VanDerWaalsContact O-OG1 3.11Å; T226-S228 PolarHBondContact O-N 3.46Å
227W49Very low37.9Very low114 Ų114135.1 Ų135.143%0.43275%0.75SS.*  trans-78.4114.5173.7-68.567.1000107.4V164 G199 I225 F229V164-W227 HydrophobicContact CB-CZ2 3.69Å; V164-W227 HydrophobicContact CG1-CZ2 3.92Å; V164-W227 HydrophobicContact CG2-CD2 3.47Å; V164-W227 VanDerWaalsContact CG2-CD2 3.47Å; V164-W227 HydrophobicContact CG2-CE3 3.98Å; V164-W227 HydrophobicContact CG2-CG 4.06Å; V164-W227 HydrophobicContact CG2-CH2 4.04Å; V164-W227 HydrophobicContact CG2-CZ2 3.38Å; V164-W227 HydrophobicContact CG2-CZ3 4.24Å; G199-W227 VanDerWaalsContact C-CH2 3.48Å; G199-W227 WeakPolarHBondContact O-CH2 3.3Å; G199-W227 WeakPolarHBondContact O-CZ2 3.12Å; I225-W227 HydrophobicContact CG2-CZ2 4.47Å; I225-W227 PolarHBondContact O-N 2.96Å; I225-W227 PolarHBondContact O-NE1 3.08Å; W227-F229 PolarHBondContact O-N 2.7Å
228S44.1Very low38.1Very low110 Ų110135.9 Ų135.977%0.76975%0.746SS**  trans-77.9108.8162.254.10000107.7T226 R230T226-S228 PolarHBondContact O-N 3.46Å; S228-R230 PolarHBondContact O-N 3.38Å; S228-R230 VanDerWaalsContact O-N 3.09Å
229F41.1Very low38.6Very low99 Ų99132.7 Ų132.743%0.43474%0.737SS.*  trans-62.3114167.3-145.9-91.8000106.5V191 W227 K231V191-F229 HydrophobicContact CG2-CE2 3.8Å; W227-F229 PolarHBondContact O-N 2.7Å; F229-K231 PolarHBondContact O-N 3.41Å
230R39.8Very low39.1Very low223 Ų223136 Ų13684%0.84273%0.732SS**  trans-63112.5165.9-75.3-161.5-172.7-133.84.5105.8S228 T232S228-R230 PolarHBondContact O-N 3.38Å; S228-R230 VanDerWaalsContact O-N 3.09Å; R230-T232 VanDerWaalsContact C-N 3.29Å; R230-T232 PolarHBondContact O-N 3.31Å
231K35.7Very low39.3Very low165 Ų165137.7 Ų137.772%0.71773%0.729SS**  trans-61.291174.2-171.7-175.3-179.8-165.60108.2F229 L233F229-K231 PolarHBondContact O-N 3.41Å; K231-L233 VanDerWaalsContact C-N 3.27Å; K231-L233 PolarHBondContact O-N 2.79Å
232T35.1Very low39.5Very low129 Ų129135.4 Ų135.479%0.79172%0.716SS**  trans-88.972.9164.423.30000108.1R230R230-T232 VanDerWaalsContact C-N 3.29Å; R230-T232 PolarHBondContact O-N 3.31Å
233L33.1Very low39.5Very low138 Ų138132.5 Ų132.572%0.72371%0.713SS**  trans-157.469.4162.2-96.2167.9000106.2K231K231-L233 VanDerWaalsContact C-N 3.27Å; K231-L233 PolarHBondContact O-N 2.79Å
234E33.6Very low39.6Very low177 Ų177135.8 Ų135.883%0.82771%0.708SS**  trans-110.7108.9149-77.8-177.3173.300104.9
235V39.8Very low39.4Very low205 Ų205141.8 Ų141.8100%1.24272%0.721SS**  trans-87.20158.5175.40000106.1

Retrieved 235 of 235 residues in 246.8 ms (Link to these results)