A0A077Z2B2_TRITR Loading...

DUF1757 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2B2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 191 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
1M65.2Low83.9Confident144 Ų14456.1 Ų56.171%0.70927%0.267SS*.  0128.80-179.4-173.2-76.300107.1F5 K6M1-F5 HydrophobicContact CE-CD1 4.18Å; M1-F5 HydrophobicContact CE-CE1 4.09Å; M1-F5 HydrophobicContact CG-CB 4.48Å; M1-F5 HydrophobicContact CG-CD1 3.68Å; M1-F5 HydrophobicContact CG-CE1 4.48Å; M1-F5 HydrophobicContact SD-CD1 3.62Å; M1-F5 HydrophobicContact SD-CE1 4.1Å; M1-K6 HydrophobicContact CB-CG 4.45Å; M1-K6 HydrophobicContact CG-CG 3.95Å; M1-K6 HydrophobicContact SD-CD 4.46Å; M1-K6 HydrophobicContact SD-CG 3.44Å; M1-K6 WeakPolarHBondContact SD-CG 3.33Å
2A82.9Confident83.3Confident25 Ų2556.6 Ų56.621%0.20728%0.281CS..  trans-63.1141.9-175.700000112.1W4 F5 K6A2-W4 VanDerWaalsContact C-N 3.27Å; A2-W4 VanDerWaalsContact CB-CD1 3.43Å; A2-W4 HydrophobicContact CB-CG 4.36Å; A2-W4 VanDerWaalsContact CB-NE1 3.33Å; A2-W4 PolarHBondContact O-N 3.44Å; A2-F5 WeakPolarHBondContact O-CB 3.29Å; A2-F5 PolarHBondContact O-N 2.59Å; A2-K6 PolarHBondContact O-N 3.44Å; A2-K6 VanDerWaalsContact O-N 3.16Å
3N86.4Confident82.7Confident21 Ų2153.4 Ų53.411%0.11227%0.265CS..Hα-helixtrans-60-36.5-176.3-67.1-17.1000112.8F5 K6 N7 D20N3-F5 VanDerWaalsContact C-N 3.26Å; N3-F5 PolarHBondContact O-N 2.8Å; N3-K6 PolarHBondContact O-N 2.79Å; N3-N7 WeakPolarHBondContact O-CB 3.41Å; N3-N7 PolarHBondContact O-N 3.09Å; N3-D20 WeakPolarHBondContact CB-O 3.12Å; N3-D20 PolarHBondContact ND2-O 3.21Å
4W86Confident82.2Confident52 Ų5258.4 Ų58.420%0.19729%0.294CS..Hα-helixtrans-60.5-37.5175.575.2-98.2000111.8A2 N7 F8 E30 I33A2-W4 VanDerWaalsContact C-N 3.27Å; A2-W4 VanDerWaalsContact CB-CD1 3.43Å; A2-W4 HydrophobicContact CB-CG 4.36Å; A2-W4 VanDerWaalsContact CB-NE1 3.33Å; A2-W4 PolarHBondContact O-N 3.44Å; W4-N7 PolarHBondContact O-N 3.19Å; W4-F8 HydrophobicContact CE3-CB 4.38Å; W4-F8 HydrophobicContact CZ3-CB 4.46Å; W4-F8 WeakPolarHBondContact O-CB 3.38Å; W4-F8 PolarHBondContact O-N 3.47Å; W4-E30 HydrophobicContact CB-CG 4.08Å; W4-E30 WeakPolarHBondContact CB-OE2 3.49Å; W4-E30 HydrophobicContact CG-CG 4.17Å; W4-I33 HydrophobicContact CH2-CD1 3.59Å; W4-I33 HydrophobicContact CH2-CG2 3.98Å; W4-I33 HydrophobicContact CZ2-CD1 3.32Å; W4-I33 HydrophobicContact CZ3-CD1 4.45Å; W4-I33 HydrophobicContact CZ3-CG2 4.05Å
5F88.6Confident81.9Confident79 Ų7963.6 Ų63.635%0.34632%0.317SS..Hα-helixtrans-75.9-37.1-177.9-175.5-101000111.7M1 A2 N3 N7 F8 T9M1-F5 HydrophobicContact CE-CD1 4.18Å; M1-F5 HydrophobicContact CE-CE1 4.09Å; M1-F5 HydrophobicContact CG-CB 4.48Å; M1-F5 HydrophobicContact CG-CD1 3.68Å; M1-F5 HydrophobicContact CG-CE1 4.48Å; M1-F5 HydrophobicContact SD-CD1 3.62Å; M1-F5 HydrophobicContact SD-CE1 4.1Å; A2-F5 WeakPolarHBondContact O-CB 3.29Å; A2-F5 PolarHBondContact O-N 2.59Å; N3-F5 VanDerWaalsContact C-N 3.26Å; N3-F5 PolarHBondContact O-N 2.8Å; F5-N7 VanDerWaalsContact C-N 3.33Å; F5-F8 PolarHBondContact O-N 3.42Å; F5-T9 HydrophobicContact CD1-CG2 4.07Å; F5-T9 HydrophobicContact CD2-CG2 4.13Å; F5-T9 HydrophobicContact CE1-CG2 3.62Å; F5-T9 HydrophobicContact CE2-CG2 3.68Å; F5-T9 HydrophobicContact CG-CG2 4.33Å; F5-T9 HydrophobicContact CZ-CG2 3.42Å; F5-T9 VanDerWaalsContact CZ-CG2 3.42Å; F5-T9 WeakPolarHBondContact O-CB 3.35Å; F5-T9 WeakPolarHBondContact O-CG2 3.36Å; F5-T9 PolarHBondContact O-N 2.99Å; F5-T9 PolarHBondContact O-OG1 3.27Å
6K87.4Confident81.8Confident46 Ų4660.2 Ų60.220%0.230%0.3CS..Hα-helixtrans-60.3-44.6169-71.4-174.6177.3-167.90111M1 A2 N3 F8 Q10 M16M1-K6 HydrophobicContact CB-CG 4.45Å; M1-K6 HydrophobicContact CG-CG 3.95Å; M1-K6 HydrophobicContact SD-CD 4.46Å; M1-K6 HydrophobicContact SD-CG 3.44Å; M1-K6 WeakPolarHBondContact SD-CG 3.33Å; A2-K6 PolarHBondContact O-N 3.44Å; A2-K6 VanDerWaalsContact O-N 3.16Å; N3-K6 PolarHBondContact O-N 2.79Å; K6-F8 PolarHBondContact O-N 3.24Å; K6-Q10 WeakPolarHBondContact O-CA 3.35Å; K6-Q10 PolarHBondContact O-N 3.15Å; K6-M16 HydrophobicContact CB-CE 3.98Å; K6-M16 HydrophobicContact CB-CG 4.33Å; K6-M16 HydrophobicContact CB-SD 3.38Å; K6-M16 WeakPolarHBondContact CB-SD 3.29Å; K6-M16 HydrophobicContact CD-CG 4.01Å; K6-M16 HydrophobicContact CD-SD 3.91Å; K6-M16 HydrophobicContact CG-SD 4.3Å
7N86.3Confident81.8Confident5 Ų564.5 Ų64.53%0.02732%0.316CS..Hα-helixtrans-62.7-42174.3-171.646000111.7N3 W4 F5 Q10 M16 R120 R130N3-N7 WeakPolarHBondContact O-CB 3.41Å; N3-N7 PolarHBondContact O-N 3.09Å; W4-N7 PolarHBondContact O-N 3.19Å; F5-N7 VanDerWaalsContact C-N 3.33Å; N7-Q10 PolarHBondContact O-NE2 2.92Å; N7-M16 HydrophobicContact CB-CE 4.09Å; N7-R120 PolarHBondContact ND2-O 3.23Å; N7-R120 VanDerWaalsContact ND2-O 3.09Å; N7-R130 PolarHBondContact O-NH2 3.21Å
8F88.5Confident81.6Confident26 Ų2666.3 Ų66.311%0.11432%0.324CS..Hα-helixtrans-64.9-48.5178.7-178.5-92.7000112.5W4 F5 K6 F37 L126 D129 R130 A133W4-F8 HydrophobicContact CE3-CB 4.38Å; W4-F8 HydrophobicContact CZ3-CB 4.46Å; W4-F8 WeakPolarHBondContact O-CB 3.38Å; W4-F8 PolarHBondContact O-N 3.47Å; F5-F8 PolarHBondContact O-N 3.42Å; K6-F8 PolarHBondContact O-N 3.24Å; F8-F37 HydrophobicContact CE1-CZ 4.38Å; F8-F37 HydrophobicContact CE2-CZ 4.31Å; F8-F37 HydrophobicContact CZ-CE1 4.09Å; F8-F37 HydrophobicContact CZ-CE2 4.44Å; F8-F37 AromaticContact CZ-CZ 3.8Å; F8-F37 HydrophobicContact CZ-CZ 3.8Å; F8-L126 HydrophobicContact CD2-CD1 3.61Å; F8-L126 HydrophobicContact CE2-CD1 4.27Å; F8-L126 HydrophobicContact CG-CD1 4.49Å; F8-D129 HydrophobicContact CE2-CB 3.73Å; F8-D129 HydrophobicContact CZ-CB 4.39Å; F8-R130 HydrophobicContact CD2-CG 4.41Å; F8-R130 HydrophobicContact CE1-CG 4.47Å; F8-R130 HydrophobicContact CE2-CG 4.12Å; F8-R130 HydrophobicContact CZ-CG 4.15Å; F8-R130 WeakPolarHBondContact O-CD 3.24Å; F8-R130 WeakPolarHBondContact O-CG 3.32Å; F8-R130 PolarHBondContact O-NE 3.32Å; F8-A133 HydrophobicContact CE1-CB 4.44Å; F8-A133 HydrophobicContact CZ-CB 4.17Å
9T87Confident81.4Confident31 Ų3169.9 Ų69.919%0.1934%0.338CS..Hα-helixtrans-80.8-19.7-176.155.90000113.7F5 F11F5-T9 HydrophobicContact CD1-CG2 4.07Å; F5-T9 HydrophobicContact CD2-CG2 4.13Å; F5-T9 HydrophobicContact CE1-CG2 3.62Å; F5-T9 HydrophobicContact CE2-CG2 3.68Å; F5-T9 HydrophobicContact CG-CG2 4.33Å; F5-T9 HydrophobicContact CZ-CG2 3.42Å; F5-T9 VanDerWaalsContact CZ-CG2 3.42Å; F5-T9 WeakPolarHBondContact O-CB 3.35Å; F5-T9 WeakPolarHBondContact O-CG2 3.36Å; F5-T9 PolarHBondContact O-N 2.99Å; F5-T9 PolarHBondContact O-OG1 3.27Å; T9-F11 VanDerWaalsContact CB-CD2 3.47Å; T9-F11 HydrophobicContact CG2-CD2 4.04Å; T9-F11 HydrophobicContact CG2-CE2 4.31Å; T9-F11 PolarHBondContact O-N 3.29Å; T9-F11 VanDerWaalsContact O-N 3.09Å; T9-F11 PolarHBondContact OG1-N 3.3Å
10Q82.6Confident81.5Confident46 Ų4668.8 Ų68.822%0.21533%0.333CS..  trans59.87.1-168.2-58.9-74.7-63.500113.7K6 N7 S12 I13 D176K6-Q10 WeakPolarHBondContact O-CA 3.35Å; K6-Q10 PolarHBondContact O-N 3.15Å; N7-Q10 PolarHBondContact O-NE2 2.92Å; Q10-S12 PolarHBondContact O-N 3.03Å; Q10-I13 VanDerWaalsContact CD-CD1 3.48Å; Q10-I13 VanDerWaalsContact NE2-CD1 3.26Å; Q10-I13 PolarHBondContact O-N 3.4Å; Q10-D176 PolarHBondContact NE2-OD1 2.84Å
11F82.3Confident81.5Confident142 Ų14265.5 Ų65.562%0.62332%0.318SS*.THydrogen-bonded Turntrans-70.2129.5173-65.3-37.6000109.6T9 I13T9-F11 VanDerWaalsContact CB-CD2 3.47Å; T9-F11 HydrophobicContact CG2-CD2 4.04Å; T9-F11 HydrophobicContact CG2-CE2 4.31Å; T9-F11 PolarHBondContact O-N 3.29Å; T9-F11 VanDerWaalsContact O-N 3.09Å; T9-F11 PolarHBondContact OG1-N 3.3Å; F11-I13 PolarHBondContact O-N 2.96Å
12S76.4Confident82.3Confident62 Ų6258.8 Ų58.843%0.43429%0.285SS..THydrogen-bonded Turntrans55.132.8-177.2-55.30000113.8Q10 D14 E15Q10-S12 PolarHBondContact O-N 3.03Å; S12-D14 PolarHBondContact O-N 3.04Å; S12-E15 PolarHBondContact O-N 3.3Å; S12-E15 VanDerWaalsContact O-N 3.15Å
13I76Confident82.4Confident15 Ų1562 Ų628%0.07729%0.294CS..G310 helixtrans-62.8-22.4175.5-166.8160.1000112.4Q10 F11 E15 M16 R177 F178Q10-I13 VanDerWaalsContact CD-CD1 3.48Å; Q10-I13 VanDerWaalsContact NE2-CD1 3.26Å; Q10-I13 PolarHBondContact O-N 3.4Å; F11-I13 PolarHBondContact O-N 2.96Å; I13-E15 PolarHBondContact O-N 3.11Å; I13-M16 HydrophobicContact CD1-CE 4.27Å; I13-M16 HydrophobicContact CG1-CE 3.91Å; I13-M16 PolarHBondContact O-N 3.2Å; I13-R177 HydrophobicContact CD1-CB 3.69Å; I13-R177 HydrophobicContact CG1-CB 3.98Å; I13-R177 VanDerWaalsContact O-CZ 3.29Å; I13-R177 PolarHBondContact O-NE 3.27Å; I13-R177 VanDerWaalsContact O-NE 3.09Å; I13-F178 HydrophobicContact CD1-CD2 4.14Å; I13-F178 HydrophobicContact CD1-CE2 4.13Å; I13-F178 HydrophobicContact CG1-CD2 4.49Å; I13-F178 HydrophobicContact CG1-CE2 3.99Å
14D75.6Confident82.4Confident124 Ų12461 Ų6166%0.66329%0.289SS*.G310 helixtrans-53.5-32.6171.9-68.9-65.2000114.6S12 R177S12-D14 PolarHBondContact O-N 3.04Å; D14-R177 VanDerWaalsContact CA-CZ 3.41Å; D14-R177 VanDerWaalsContact CG-NH2 3.28Å; D14-R177 PolarHBondContact O-NH1 3.19Å; D14-R177 IonicContact OD1-CZ 2.7Å; D14-R177 IonicContact OD1-NH1 3.43Å; D14-R177 IonicContact OD1-NH2 3.63Å; D14-R177 PolarHBondContact OD1-NH2 3.33Å; D14-R177 IonicContact OD2-NH2 3.59Å
15E77.7Confident82.4Confident136 Ų13662.3 Ų62.364%0.63630%0.297SS*.G310 helixtrans-89.7-15-176-62171.4-172.800113S12 I13S12-E15 PolarHBondContact O-N 3.3Å; S12-E15 VanDerWaalsContact O-N 3.15Å; I13-E15 PolarHBondContact O-N 3.11Å
16M79.6Confident82.4Confident9 Ų965 Ų654%0.04431%0.306CS..  trans-80.5138.3-178.1-70.1-156.3-56.300111.4K6 N7 I13 V21 F178K6-M16 HydrophobicContact CB-CE 3.98Å; K6-M16 HydrophobicContact CB-CG 4.33Å; K6-M16 HydrophobicContact CB-SD 3.38Å; K6-M16 WeakPolarHBondContact CB-SD 3.29Å; K6-M16 HydrophobicContact CD-CG 4.01Å; K6-M16 HydrophobicContact CD-SD 3.91Å; K6-M16 HydrophobicContact CG-SD 4.3Å; N7-M16 HydrophobicContact CB-CE 4.09Å; I13-M16 HydrophobicContact CD1-CE 4.27Å; I13-M16 HydrophobicContact CG1-CE 3.91Å; I13-M16 PolarHBondContact O-N 3.2Å; M16-V21 HydrophobicContact CE-CG2 3.9Å; M16-V21 HydrophobicContact SD-CG2 4.25Å; M16-F178 HydrophobicContact CB-CE2 3.95Å; M16-F178 HydrophobicContact CB-CZ 3.96Å; M16-F178 HydrophobicContact CE-CD2 4.47Å; M16-F178 HydrophobicContact CE-CE2 3.89Å; M16-F178 WeakPolarHBondContact O-CZ 3.13Å
17K81.9Confident82.4Confident133 Ų13364.5 Ų64.558%0.57831%0.308SS*.  trans-100.5160.7168.5-61177.5179.5-179.80110K19 D20 V21K17-K19 HydrophobicContact CB-CG 3.93Å; K17-K19 PolarHBondContact O-N 3.3Å; K17-D20 WeakPolarHBondContact CB-OD2 3.37Å; K17-D20 PolarHBondContact N-OD2 3.37Å; K17-D20 WeakPolarHBondContact O-CB 3.05Å; K17-D20 PolarHBondContact O-N 2.97Å; K17-V21 PolarHBondContact O-N 3.01Å
18E77.7Confident82.5Confident98 Ų9870.2 Ų70.246%0.45833%0.332SS..Hα-helixtrans-58.3-38.4-179.6-173.8175.2-170.200112.4D20 V21 A22 F178 P182E18-D20 PolarHBondContact O-N 3.35Å; E18-V21 PolarHBondContact O-N 3.05Å; E18-A22 PolarHBondContact O-N 3.3Å; E18-F178 HydrophobicContact CB-CD1 4.19Å; E18-F178 HydrophobicContact CB-CE1 3.94Å; E18-F178 HydrophobicContact CG-CD1 4.4Å; E18-F178 VanDerWaalsContact N-CE1 3.34Å; E18-P182 HydrophobicContact CG-CG 4.29Å; E18-P182 VanDerWaalsContact OE1-CG 3.29Å; E18-P182 WeakPolarHBondContact OE1-CG 3.31Å
19K79Confident82.6Confident135 Ų13573.7 Ų73.759%0.58735%0.351SS*.Hα-helixtrans-58.7-33.117363.2175.6-171.5169.10113.5K17 A22 F23K17-K19 HydrophobicContact CB-CG 3.93Å; K17-K19 PolarHBondContact O-N 3.3Å; K19-A22 PolarHBondContact O-N 2.85Å; K19-F23 WeakPolarHBondContact O-CB 3.44Å; K19-F23 PolarHBondContact O-N 3.04Å
20D82.7Confident82.7Confident47 Ų4772.9 Ų72.925%0.25135%0.345SS..Hα-helixtrans-74.1-35.9-179.3-52-37.7000110.3N3 K17 E18 F23N3-D20 WeakPolarHBondContact CB-O 3.12Å; N3-D20 PolarHBondContact ND2-O 3.21Å; K17-D20 WeakPolarHBondContact CB-OD2 3.37Å; K17-D20 PolarHBondContact N-OD2 3.37Å; K17-D20 WeakPolarHBondContact O-CB 3.05Å; K17-D20 PolarHBondContact O-N 2.97Å; E18-D20 PolarHBondContact O-N 3.35Å; D20-F23 PolarHBondContact O-N 3.35Å
21V81.6Confident83.1Confident0 Ų070.8 Ų70.80%034%0.335CS..Hα-helixtrans-73-29.3174.1179.90000112.1M16 K17 E18 F23 R120 Y121 F178M16-V21 HydrophobicContact CE-CG2 3.9Å; M16-V21 HydrophobicContact SD-CG2 4.25Å; K17-V21 PolarHBondContact O-N 3.01Å; E18-V21 PolarHBondContact O-N 3.05Å; V21-F23 VanDerWaalsContact C-N 3.34Å; V21-R120 HydrophobicContact CG1-CB 4.34Å; V21-R120 WeakPolarHBondContact O-CD 3.44Å; V21-R120 PolarHBondContact O-NH1 2.85Å; V21-Y121 HydrophobicContact CG1-CE2 4.43Å; V21-F178 HydrophobicContact CB-CD1 4.5Å; V21-F178 HydrophobicContact CB-CD2 4.37Å; V21-F178 HydrophobicContact CB-CG 4.29Å; V21-F178 HydrophobicContact CG1-CB 4.47Å; V21-F178 HydrophobicContact CG1-CG 4.37Å; V21-F178 HydrophobicContact CG2-CD1 4.19Å; V21-F178 HydrophobicContact CG2-CD2 3.46Å; V21-F178 VanDerWaalsContact CG2-CD2 3.46Å; V21-F178 HydrophobicContact CG2-CE1 4.19Å; V21-F178 HydrophobicContact CG2-CE2 3.42Å; V21-F178 VanDerWaalsContact CG2-CE2 3.42Å; V21-F178 HydrophobicContact CG2-CG 3.84Å; V21-F178 HydrophobicContact CG2-CZ 3.78Å
22A82.9Confident83.5Confident2 Ų264.4 Ų64.42%0.01731%0.31CS..Hα-helixtrans-72.2-29.3170.900000112.9E18 K19 I24 Y117 P186E18-A22 PolarHBondContact O-N 3.3Å; K19-A22 PolarHBondContact O-N 2.85Å; A22-I24 PolarHBondContact O-N 3.45Å; A22-Y117 HydrophobicContact CB-CE2 3.82Å; A22-P186 HydrophobicContact CB-CG 3.48Å; A22-P186 VanDerWaalsContact CB-CG 3.48Å
23F83.9Confident84.1Confident92 Ų9263.8 Ų63.840%0.40430%0.301SS..  trans-75.6115.7-178.1-175.2-116.1000112.7K19 D20 V21 E25 R120K19-F23 WeakPolarHBondContact O-CB 3.44Å; K19-F23 PolarHBondContact O-N 3.04Å; D20-F23 PolarHBondContact O-N 3.35Å; V21-F23 VanDerWaalsContact C-N 3.34Å; F23-E25 HydrophobicContact CD1-CG 3.7Å; F23-E25 HydrophobicContact CE1-CB 4.42Å; F23-E25 HydrophobicContact CE1-CG 3.22Å; F23-E25 HydrophobicContact CZ-CG 4.02Å; F23-R120 PolarHBondContact O-NH1 3.21Å; F23-R120 PolarHBondContact O-NH2 3.09Å
24I86.8Confident84.8Confident2 Ų264.4 Ų64.41%0.0130%0.303CS..  trans-108.8101.1179.6-61.3156.6000108.9A22 P27 E113 C116 R187A22-I24 PolarHBondContact O-N 3.45Å; I24-P27 HydrophobicContact CG2-CB 3.8Å; I24-P27 HydrophobicContact CG2-CG 4.49Å; I24-E113 HydrophobicContact CB-CG 4.24Å; I24-E113 HydrophobicContact CD1-CG 3.62Å; I24-E113 VanDerWaalsContact CD1-O 3.24Å; I24-E113 WeakPolarHBondContact CD1-O 3.39Å; I24-C116 HydrophobicContact CD1-CB 3.91Å; I24-C116 HydrophobicContact CG2-CB 4.3Å; I24-R187 PolarHBondContact O-NH2 3.45Å
25E85.3Confident85.5Confident78 Ų7859.6 Ų59.636%0.36428%0.277SS..SBendtrans-67.7-45179.8-69.7167.3-153.300112.5F23F23-E25 HydrophobicContact CD1-CG 3.7Å; F23-E25 HydrophobicContact CE1-CB 4.42Å; F23-E25 HydrophobicContact CE1-CG 3.22Å; F23-E25 HydrophobicContact CZ-CG 4.02Å
26Y89.1Confident86.1Confident136 Ų13654.1 Ų54.153%0.53326%0.255SS..  trans-134.276.2-171-55.8-70.6000111.1K28 I29 E30Y26-K28 VanDerWaalsContact C-N 3.32Å; Y26-K28 PolarHBondContact O-N 3.49Å; Y26-I29 HydrophobicContact CD1-CD1 4.44Å; Y26-I29 HydrophobicContact CG-CD1 4.32Å; Y26-I29 PolarHBondContact O-N 2.91Å; Y26-E30 WeakPolarHBondContact O-CB 3.37Å; Y26-E30 PolarHBondContact O-N 3.45Å
27P88Confident86.7Confident36 Ų3656.6 Ų56.623%0.23427%0.266CS..Hα-helixtrans-62.1-36.2-171.922.9-32.9000113.2I24 L31 V112 C116I24-P27 HydrophobicContact CG2-CB 3.8Å; I24-P27 HydrophobicContact CG2-CG 4.49Å; P27-L31 VanDerWaalsContact O-CB 3.27Å; P27-L31 WeakPolarHBondContact O-CB 3.38Å; P27-L31 PolarHBondContact O-N 2.95Å; P27-V112 HydrophobicContact CB-CG1 4.02Å; P27-C116 PolarHBondContact O-SG 3.46Å
28K88.8Confident87.1Confident124 Ų12452.4 Ų52.454%0.53925%0.248SC..Hα-helixtrans-65.3-55.8177.2-64.9-176.2178.7-177.40111.2Y26 E30 L31 G32 E98 L102Y26-K28 VanDerWaalsContact C-N 3.32Å; Y26-K28 PolarHBondContact O-N 3.49Å; K28-E30 VanDerWaalsContact C-N 3.3Å; K28-E30 PolarHBondContact O-N 2.73Å; K28-L31 CarbonylContact O-C 3.59Å; K28-L31 PolarHBondContact O-N 2.76Å; K28-L31 VanDerWaalsContact O-N 3.1Å; K28-G32 PolarHBondContact O-N 3.24Å; K28-E98 VanDerWaalsContact C-OE1 3.32Å; K28-L102 HydrophobicContact CD-CD1 3.99Å; K28-L102 HydrophobicContact CG-CD1 4.19Å
29I88.9Confident87.8Confident99 Ų9949.4 Ų49.451%0.50824%0.235SC..Hα-helixtrans-57.3-44.2179.2-64.4171000111.2Y26 G32 I33Y26-I29 HydrophobicContact CD1-CD1 4.44Å; Y26-I29 HydrophobicContact CG-CD1 4.32Å; Y26-I29 PolarHBondContact O-N 2.91Å; I29-G32 PolarHBondContact O-N 2.86Å; I29-I33 HydrophobicContact CG2-CD1 3.88Å; I29-I33 HydrophobicContact CG2-CG1 4.44Å; I29-I33 VanDerWaalsContact O-CG1 3.26Å; I29-I33 WeakPolarHBondContact O-CG1 3.49Å; I29-I33 PolarHBondContact O-N 2.84Å
30E90.2Very high88.3Confident14 Ų1443.2 Ų43.27%0.06521%0.209CC..Hα-helixtrans-62.7-43.8177.9-173.9171.9155.300112W4 Y26 K28 I33 H34 C116 R120W4-E30 HydrophobicContact CB-CG 4.08Å; W4-E30 WeakPolarHBondContact CB-OE2 3.49Å; W4-E30 HydrophobicContact CG-CG 4.17Å; Y26-E30 WeakPolarHBondContact O-CB 3.37Å; Y26-E30 PolarHBondContact O-N 3.45Å; K28-E30 VanDerWaalsContact C-N 3.3Å; K28-E30 PolarHBondContact O-N 2.73Å; E30-I33 PolarHBondContact O-N 3.41Å; E30-H34 WeakPolarHBondContact O-CB 3.19Å; E30-H34 PolarHBondContact O-N 2.82Å; E30-C116 HydrophobicContact CG-CB 4.43Å; E30-R120 WeakPolarHBondContact OE1-CG 3.48Å; E30-R120 IonicContact OE1-CZ 3.75Å; E30-R120 IonicContact OE1-NE 3.04Å; E30-R120 PolarHBondContact OE1-NE 3.3Å; E30-R120 IonicContact OE1-NH2 3.83Å; E30-R120 IonicContact OE2-CZ 3.42Å; E30-R120 IonicContact OE2-NE 3.36Å; E30-R120 PolarHBondContact OE2-NE 3.45Å; E30-R120 IonicContact OE2-NH2 2.82Å; E30-R120 PolarHBondContact OE2-NH2 3.1Å
31L90.4Very high88.8Confident3 Ų341.5 Ų41.52%0.01620%0.2CC..Hα-helixtrans-63.8-41.3174.1-177.962000111.9P27 K28 H34 I35 V112 R115 L119P27-L31 VanDerWaalsContact O-CB 3.27Å; P27-L31 WeakPolarHBondContact O-CB 3.38Å; P27-L31 PolarHBondContact O-N 2.95Å; K28-L31 CarbonylContact O-C 3.59Å; K28-L31 PolarHBondContact O-N 2.76Å; K28-L31 VanDerWaalsContact O-N 3.1Å; L31-H34 WeakPolarHBondContact O-CB 3.29Å; L31-H34 PolarHBondContact O-N 3.09Å; L31-I35 HydrophobicContact CD1-CD1 4.24Å; L31-I35 HydrophobicContact CD1-CG1 4.36Å; L31-I35 HydrophobicContact CD2-CD1 4.46Å; L31-I35 HydrophobicContact CG-CD1 3.91Å; L31-I35 HydrophobicContact CG-CG1 4.44Å; L31-I35 VanDerWaalsContact O-CG1 3.29Å; L31-I35 WeakPolarHBondContact O-CG1 3.42Å; L31-I35 PolarHBondContact O-N 2.72Å; L31-V112 HydrophobicContact CB-CG1 4.32Å; L31-V112 HydrophobicContact CD2-CG1 3.85Å; L31-R115 HydrophobicContact CD1-CG 4.31Å; L31-L119 HydrophobicContact CD1-CD1 4.39Å
32G90.2Very high89.2Confident8 Ų846.8 Ų46.88%0.08223%0.227CC..Hα-helixtrans-60.5-46.7177.300000112.6K28 I29 H34 I35 A36 E98K28-G32 PolarHBondContact O-N 3.24Å; I29-G32 PolarHBondContact O-N 2.86Å; G32-H34 VanDerWaalsContact C-N 3.29Å; G32-H34 PolarHBondContact O-N 3.04Å; G32-I35 PolarHBondContact O-N 3.33Å; G32-A36 WeakPolarHBondContact O-CB 3.45Å; G32-A36 PolarHBondContact O-N 2.71Å; G32-E98 WeakPolarHBondContact CA-OE2 3.43Å
33I90.3Very high89.5Confident49 Ų4947.4 Ų47.425%0.25123%0.234SC..Hα-helixtrans-59.6-44.6174.5-68.5169.8000110.1W4 I29 E30 I35 A36 F37W4-I33 HydrophobicContact CH2-CD1 3.59Å; W4-I33 HydrophobicContact CH2-CG2 3.98Å; W4-I33 HydrophobicContact CZ2-CD1 3.32Å; W4-I33 HydrophobicContact CZ3-CD1 4.45Å; W4-I33 HydrophobicContact CZ3-CG2 4.05Å; I29-I33 HydrophobicContact CG2-CD1 3.88Å; I29-I33 HydrophobicContact CG2-CG1 4.44Å; I29-I33 VanDerWaalsContact O-CG1 3.26Å; I29-I33 WeakPolarHBondContact O-CG1 3.49Å; I29-I33 PolarHBondContact O-N 2.84Å; E30-I33 PolarHBondContact O-N 3.41Å; I33-I35 PolarHBondContact O-N 3.35Å; I33-A36 WeakPolarHBondContact O-CB 3.19Å; I33-A36 PolarHBondContact O-N 3.09Å; I33-A36 VanDerWaalsContact O-N 3.17Å; I33-F37 HydrophobicContact CG2-CD2 3.85Å; I33-F37 HydrophobicContact CG2-CE2 3.85Å; I33-F37 WeakPolarHBondContact O-CD2 3.1Å; I33-F37 PolarHBondContact O-N 3.22Å
34H90.6Very high89.8Confident28 Ų2843.1 Ų43.113%0.1322%0.215CC..Hα-helixtrans-59.5-46.7177.5-177.269.1000112.9E30 L31 G32 A36 F37 K38 L119 Q125E30-H34 WeakPolarHBondContact O-CB 3.19Å; E30-H34 PolarHBondContact O-N 2.82Å; L31-H34 WeakPolarHBondContact O-CB 3.29Å; L31-H34 PolarHBondContact O-N 3.09Å; G32-H34 VanDerWaalsContact C-N 3.29Å; G32-H34 PolarHBondContact O-N 3.04Å; H34-A36 VanDerWaalsContact C-N 3.28Å; H34-A36 PolarHBondContact O-N 3.24Å; H34-F37 PolarHBondContact O-N 3.31Å; H34-K38 PolarHBondContact O-N 3.32Å; H34-K38 VanDerWaalsContact O-N 3.1Å; H34-L119 HydrophobicContact CB-CD1 4.2Å; H34-L119 WeakPolarHBondContact NE2-CD2 3.32Å; H34-Q125 PolarHBondContact CE1-NE2 2.91Å; H34-Q125 PolarHBondContact NE2-NE2 3.09Å
35I90.7Very high89.9Confident23 Ų2346.6 Ų46.612%0.11823%0.23CC..Hα-helixtrans-61.8-40.9175.8-67.5167.9000109.8L31 G32 I33 F37 K38 L39 A94 E98L31-I35 HydrophobicContact CD1-CD1 4.24Å; L31-I35 HydrophobicContact CD1-CG1 4.36Å; L31-I35 HydrophobicContact CD2-CD1 4.46Å; L31-I35 HydrophobicContact CG-CD1 3.91Å; L31-I35 HydrophobicContact CG-CG1 4.44Å; L31-I35 VanDerWaalsContact O-CG1 3.29Å; L31-I35 WeakPolarHBondContact O-CG1 3.42Å; L31-I35 PolarHBondContact O-N 2.72Å; G32-I35 PolarHBondContact O-N 3.33Å; I33-I35 PolarHBondContact O-N 3.35Å; I35-F37 PolarHBondContact O-N 3.27Å; I35-K38 PolarHBondContact O-N 3.34Å; I35-L39 HydrophobicContact CG2-CD1 3.57Å; I35-L39 HydrophobicContact CG2-CG 4.02Å; I35-L39 WeakPolarHBondContact O-CB 3.45Å; I35-L39 WeakPolarHBondContact O-CG 3.27Å; I35-L39 PolarHBondContact O-N 3.03Å; I35-A94 HydrophobicContact CB-CB 4.44Å; I35-A94 HydrophobicContact CG2-CB 3.88Å; I35-E98 HydrophobicContact CD1-CB 4.17Å; I35-E98 HydrophobicContact CD1-CG 4.41Å
36A90.3Very high90.1Very high21 Ų2144.8 Ų44.817%0.17423%0.228CC..Hα-helixtrans-61.3-44177.900000112.8G32 I33 H34 G40 I91 A94G32-A36 WeakPolarHBondContact O-CB 3.45Å; G32-A36 PolarHBondContact O-N 2.71Å; I33-A36 WeakPolarHBondContact O-CB 3.19Å; I33-A36 PolarHBondContact O-N 3.09Å; I33-A36 VanDerWaalsContact O-N 3.17Å; H34-A36 VanDerWaalsContact C-N 3.28Å; H34-A36 PolarHBondContact O-N 3.24Å; A36-G40 PolarHBondContact O-N 3.34Å; A36-I91 HydrophobicContact CB-CG2 4.49Å; A36-A94 VanDerWaalsContact CA-CB 3.43Å; A36-A94 HydrophobicContact CB-CB 3.65Å
37F91.2Very high89.9Confident61 Ų6138.3 Ų38.327%0.26820%0.203SC..Hα-helixtrans-57.7-50.9172-91.3-80000111.1F8 I33 H34 I35 L39 G40 E41 D129 A133F8-F37 HydrophobicContact CE1-CZ 4.38Å; F8-F37 HydrophobicContact CE2-CZ 4.31Å; F8-F37 HydrophobicContact CZ-CE1 4.09Å; F8-F37 HydrophobicContact CZ-CE2 4.44Å; F8-F37 AromaticContact CZ-CZ 3.8Å; F8-F37 HydrophobicContact CZ-CZ 3.8Å; I33-F37 HydrophobicContact CG2-CD2 3.85Å; I33-F37 HydrophobicContact CG2-CE2 3.85Å; I33-F37 WeakPolarHBondContact O-CD2 3.1Å; I33-F37 PolarHBondContact O-N 3.22Å; H34-F37 PolarHBondContact O-N 3.31Å; I35-F37 PolarHBondContact O-N 3.27Å; F37-L39 PolarHBondContact O-N 3.39Å; F37-G40 PolarHBondContact O-N 2.87Å; F37-E41 WeakPolarHBondContact O-CB 3.44Å; F37-E41 WeakPolarHBondContact O-CG 3.28Å; F37-E41 PolarHBondContact O-N 3.25Å; F37-D129 HydrophobicContact CD1-CB 4.37Å; F37-A133 HydrophobicContact CE1-CB 4.13Å
38K91.7Very high89.9Confident44 Ų4437.5 Ų37.519%0.19120%0.198CC..Hα-helixtrans-64.8-42.2-176.3-70.2-69.2148.4-140.80113.2H34 I35 E41 L42 D129H34-K38 PolarHBondContact O-N 3.32Å; H34-K38 VanDerWaalsContact O-N 3.1Å; I35-K38 PolarHBondContact O-N 3.34Å; K38-E41 IonicContact NZ-OE1 3.97Å; K38-E41 IonicContact NZ-OE2 2.69Å; K38-E41 PolarHBondContact NZ-OE2 3.28Å; K38-L42 VanDerWaalsContact O-CB 3.29Å; K38-L42 WeakPolarHBondContact O-CB 3.44Å; K38-L42 WeakPolarHBondContact O-CG 3.46Å; K38-L42 PolarHBondContact O-N 3.04Å; K38-D129 WeakPolarHBondContact CE-OD1 3.4Å; K38-D129 IonicContact NZ-OD1 2.6Å; K38-D129 PolarHBondContact NZ-OD1 3.07Å
39L91.1Very high89.9Confident35 Ų3535 Ų3518%0.18319%0.194CC..Hα-helixtrans-72.3-35.5177.2-65.9175.9000112.3I35 F37 G43 G90 L93 A94 L97I35-L39 HydrophobicContact CG2-CD1 3.57Å; I35-L39 HydrophobicContact CG2-CG 4.02Å; I35-L39 WeakPolarHBondContact O-CB 3.45Å; I35-L39 WeakPolarHBondContact O-CG 3.27Å; I35-L39 PolarHBondContact O-N 3.03Å; F37-L39 PolarHBondContact O-N 3.39Å; L39-G43 WeakPolarHBondContact O-CA 3.37Å; L39-G43 PolarHBondContact O-N 2.92Å; L39-G90 WeakPolarHBondContact CB-O 3.35Å; L39-L93 HydrophobicContact CD1-CB 4.38Å; L39-A94 HydrophobicContact CD1-CB 3.85Å; L39-L97 HydrophobicContact CD1-CD1 3.51Å; L39-L97 HydrophobicContact CD1-CG 4.5Å; L39-L97 HydrophobicContact CD2-CD1 3.87Å; L39-L97 HydrophobicContact CG-CD1 4.31Å
40G90.4Very high89.8Confident5 Ų534.5 Ų34.55%0.05220%0.195CC..Hα-helixtrans-62.7-46.5173.500000111.7A36 F37 T44A36-G40 PolarHBondContact O-N 3.34Å; F37-G40 PolarHBondContact O-N 2.87Å; G40-T44 VanDerWaalsContact O-CB 3.22Å; G40-T44 WeakPolarHBondContact O-CB 3.44Å; G40-T44 PolarHBondContact O-N 3.13Å; G40-T44 PolarHBondContact O-OG1 3.49Å
41E91.9Very high89.5Confident11 Ų1136 Ų365%0.05120%0.203CC..Hα-helixtrans-62.5-53.3176.1-73.5170.2174.300112F37 K38 G43 T44 F45 D129 C132 L156F37-E41 WeakPolarHBondContact O-CB 3.44Å; F37-E41 WeakPolarHBondContact O-CG 3.28Å; F37-E41 PolarHBondContact O-N 3.25Å; K38-E41 IonicContact NZ-OE1 3.97Å; K38-E41 IonicContact NZ-OE2 2.69Å; K38-E41 PolarHBondContact NZ-OE2 3.28Å; E41-G43 PolarHBondContact O-N 3.25Å; E41-T44 PolarHBondContact O-N 2.85Å; E41-F45 WeakPolarHBondContact O-CB 3.37Å; E41-F45 PolarHBondContact O-N 3.14Å; E41-D129 WeakPolarHBondContact OE1-CA 3.4Å; E41-C132 HydrophobicContact CG-CB 4.17Å; E41-C132 WeakPolarHBondContact OE1-CB 3.41Å; E41-C132 PolarHBondContact OE1-SG 3.4Å; E41-C132 VanDerWaalsContact OE1-SG 3.4Å; E41-L156 HydrophobicContact CB-CD1 4.27Å; E41-L156 HydrophobicContact CB-CD2 4.28Å; E41-L156 HydrophobicContact CG-CD2 4.41Å
42L90Very high89.2Confident112 Ų11236 Ų3659%0.58620%0.203SC*.Hα-helixtrans-63.9-42.1179.9-71.1173.9000111.8K38 T44 F45 A46K38-L42 VanDerWaalsContact O-CB 3.29Å; K38-L42 WeakPolarHBondContact O-CB 3.44Å; K38-L42 WeakPolarHBondContact O-CG 3.46Å; K38-L42 PolarHBondContact O-N 3.04Å; L42-T44 VanDerWaalsContact C-N 3.34Å; L42-F45 PolarHBondContact O-N 3.48Å; L42-A46 VanDerWaalsContact O-CB 3.22Å; L42-A46 WeakPolarHBondContact O-CB 3.44Å; L42-A46 PolarHBondContact O-N 3.33Å
43G89.1Confident88.9Confident15 Ų1538.9 Ų38.916%0.15522%0.22CC..Hα-helixtrans-64-39.8177.200000112L39 E41 G47L39-G43 WeakPolarHBondContact O-CA 3.37Å; L39-G43 PolarHBondContact O-N 2.92Å; E41-G43 PolarHBondContact O-N 3.25Å; G43-G47 WeakPolarHBondContact O-CA 3.5Å; G43-G47 PolarHBondContact O-N 2.89Å
44T90.2Very high88.7Confident1 Ų141.1 Ų41.11%0.00623%0.232CC..Hα-helixtrans-63.4-52.3175.1-600000110.7G40 E41 L42 G47 S48 T87 V149 I152G40-T44 VanDerWaalsContact O-CB 3.22Å; G40-T44 WeakPolarHBondContact O-CB 3.44Å; G40-T44 PolarHBondContact O-N 3.13Å; G40-T44 PolarHBondContact O-OG1 3.49Å; E41-T44 PolarHBondContact O-N 2.85Å; L42-T44 VanDerWaalsContact C-N 3.34Å; T44-G47 PolarHBondContact O-N 2.94Å; T44-S48 WeakPolarHBondContact O-CB 3.17Å; T44-S48 PolarHBondContact O-N 3.38Å; T44-S48 PolarHBondContact O-OG 3.38Å; T44-S48 VanDerWaalsContact O-OG 3.05Å; T44-T87 WeakPolarHBondContact OG1-CB 3.27Å; T44-T87 WeakPolarHBondContact OG1-CG2 3.2Å; T44-T87 PolarHBondContact OG1-OG1 3.48Å; T44-V149 HydrophobicContact CG2-CB 4.12Å; T44-V149 HydrophobicContact CG2-CG1 3.72Å; T44-V149 HydrophobicContact CG2-CG2 4.14Å; T44-I152 HydrophobicContact CG2-CB 4.05Å; T44-I152 HydrophobicContact CG2-CD1 4.29Å; T44-I152 HydrophobicContact CG2-CG2 3.9Å
45F90.1Very high88.3Confident76 Ų7641.6 Ų41.633%0.33324%0.237SC..Hα-helixtrans-63-46.5-178.8-176-97.1000112.6E41 L42 G47 S48 V49 D153 L156 V157E41-F45 WeakPolarHBondContact O-CB 3.37Å; E41-F45 PolarHBondContact O-N 3.14Å; L42-F45 PolarHBondContact O-N 3.48Å; F45-G47 VanDerWaalsContact C-N 3.31Å; F45-G47 PolarHBondContact O-N 3.38Å; F45-S48 PolarHBondContact O-N 2.81Å; F45-S48 PolarHBondContact O-OG 3.16Å; F45-V49 HydrophobicContact CD2-CG2 3.8Å; F45-V49 HydrophobicContact CE1-CB 4.43Å; F45-V49 HydrophobicContact CE1-CG2 4.35Å; F45-V49 HydrophobicContact CE2-CG2 3.62Å; F45-V49 HydrophobicContact CG-CG2 4.26Å; F45-V49 HydrophobicContact CZ-CB 4.36Å; F45-V49 HydrophobicContact CZ-CG1 4.35Å; F45-V49 HydrophobicContact CZ-CG2 3.92Å; F45-V49 VanDerWaalsContact O-CB 3.25Å; F45-V49 WeakPolarHBondContact O-CB 3.32Å; F45-V49 WeakPolarHBondContact O-CG2 3.5Å; F45-V49 PolarHBondContact O-N 2.77Å; F45-D153 WeakPolarHBondContact CA-OD1 3.26Å; F45-L156 HydrophobicContact CB-CD1 3.86Å; F45-L156 HydrophobicContact CD2-CD1 4.26Å; F45-L156 HydrophobicContact CG-CD1 4.38Å; F45-V157 HydrophobicContact CE2-CG2 4.42Å
46A88.7Confident87.9Confident39 Ų3944 Ų4432%0.32225%0.25SC..Iπ-helixtrans-63.2-4117600000111.3L42 V50 I51L42-A46 VanDerWaalsContact O-CB 3.22Å; L42-A46 WeakPolarHBondContact O-CB 3.44Å; L42-A46 PolarHBondContact O-N 3.33Å; A46-V50 WeakPolarHBondContact O-CB 3.24Å; A46-V50 PolarHBondContact O-N 3.28Å; A46-V50 VanDerWaalsContact O-N 3.11Å; A46-I51 WeakPolarHBondContact O-CG1 3.43Å; A46-I51 PolarHBondContact O-N 3.3Å
47G86Confident87.5Confident0 Ų045.7 Ų45.70%026%0.264CS..Iπ-helixtrans-59.8-45.1176.400000112.9G43 T44 F45 A52G43-G47 WeakPolarHBondContact O-CA 3.5Å; G43-G47 PolarHBondContact O-N 2.89Å; T44-G47 PolarHBondContact O-N 2.94Å; F45-G47 VanDerWaalsContact C-N 3.31Å; F45-G47 PolarHBondContact O-N 3.38Å; G47-A52 WeakPolarHBondContact O-CB 3.32Å; G47-A52 PolarHBondContact O-N 2.97Å
48S88.1Confident87.1Confident19 Ų1947.8 Ų47.813%0.13328%0.278CS..Iπ-helixtrans-84.6-40.1-174.864.20000114.2T44 F45 A52 P53 D153T44-S48 WeakPolarHBondContact O-CB 3.17Å; T44-S48 PolarHBondContact O-N 3.38Å; T44-S48 PolarHBondContact O-OG 3.38Å; T44-S48 VanDerWaalsContact O-OG 3.05Å; F45-S48 PolarHBondContact O-N 2.81Å; F45-S48 PolarHBondContact O-OG 3.16Å; S48-A52 WeakPolarHBondContact O-CB 3.37Å; S48-P53 WeakPolarHBondContact O-CD 3.38Å; S48-D153 WeakPolarHBondContact CB-OD2 3.12Å; S48-D153 PolarHBondContact OG-OD1 3.12Å; S48-D153 VanDerWaalsContact OG-OD1 3.07Å; S48-D153 PolarHBondContact OG-OD2 3.41Å
49V87.2Confident86.2Confident73 Ų7351.1 Ų51.144%0.44229%0.289SS..Iπ-helixtrans-89.5-38.7-173.3179.20000112.1F45 P53F45-V49 HydrophobicContact CD2-CG2 3.8Å; F45-V49 HydrophobicContact CE1-CB 4.43Å; F45-V49 HydrophobicContact CE1-CG2 4.35Å; F45-V49 HydrophobicContact CE2-CG2 3.62Å; F45-V49 HydrophobicContact CG-CG2 4.26Å; F45-V49 HydrophobicContact CZ-CB 4.36Å; F45-V49 HydrophobicContact CZ-CG1 4.35Å; F45-V49 HydrophobicContact CZ-CG2 3.92Å; F45-V49 VanDerWaalsContact O-CB 3.25Å; F45-V49 WeakPolarHBondContact O-CB 3.32Å; F45-V49 WeakPolarHBondContact O-CG2 3.5Å; F45-V49 PolarHBondContact O-N 2.77Å; V49-P53 WeakPolarHBondContact O-CD 3.4Å; V49-P53 WeakPolarHBondContact O-CG 3.45Å
50V86.8Confident85.2Confident87 Ų8752.2 Ų52.253%0.52730%0.297SS..Iπ-helixtrans-103.2-56.7-173.8-176.40000110.9A46 L54A46-V50 WeakPolarHBondContact O-CB 3.24Å; A46-V50 PolarHBondContact O-N 3.28Å; A46-V50 VanDerWaalsContact O-N 3.11Å; V50-L54 VanDerWaalsContact O-CB 3.28Å; V50-L54 WeakPolarHBondContact O-CB 3.4Å; V50-L54 PolarHBondContact O-N 3.35Å
51I85.1Confident84.2Confident47 Ų4754.9 Ų54.924%0.24132%0.319CS..Iπ-helixtrans-74.5-44.3-168.6-59.9174.1000111.2A46 L54 V55 L82 F86A46-I51 WeakPolarHBondContact O-CG1 3.43Å; A46-I51 PolarHBondContact O-N 3.3Å; I51-L54 PolarHBondContact O-N 2.7Å; I51-V55 HydrophobicContact CG2-CG2 3.96Å; I51-V55 WeakPolarHBondContact O-CB 3.26Å; I51-V55 VanDerWaalsContact O-CG2 3.28Å; I51-V55 WeakPolarHBondContact O-CG2 3.29Å; I51-V55 PolarHBondContact O-N 2.83Å; I51-L82 HydrophobicContact CG2-CD2 4.37Å; I51-F86 HydrophobicContact CB-CE2 4.44Å; I51-F86 HydrophobicContact CB-CZ 4.48Å; I51-F86 HydrophobicContact CD1-CD1 3.88Å; I51-F86 HydrophobicContact CD1-CE1 3.31Å; I51-F86 HydrophobicContact CD1-CE2 4.13Å; I51-F86 HydrophobicContact CD1-CG 4.5Å; I51-F86 HydrophobicContact CD1-CZ 3.48Å; I51-F86 VanDerWaalsContact CD1-CZ 3.48Å; I51-F86 HydrophobicContact CG2-CE2 3.71Å; I51-F86 HydrophobicContact CG2-CZ 3.77Å
52A82.7Confident82.8Confident3 Ų362.3 Ų62.33%0.02535%0.351CS..Hα-helixtrans-57.6-51.1-179.700000112.9G47 S48 N56 F79 L83G47-A52 WeakPolarHBondContact O-CB 3.32Å; G47-A52 PolarHBondContact O-N 2.97Å; S48-A52 WeakPolarHBondContact O-CB 3.37Å; A52-N56 WeakPolarHBondContact O-CB 3.46Å; A52-N56 PolarHBondContact O-N 3Å; A52-F79 HydrophobicContact CB-CD2 4.36Å; A52-F79 HydrophobicContact CB-CE2 3.4Å; A52-F79 HydrophobicContact CB-CZ 3.87Å; A52-L83 HydrophobicContact CB-CD2 4Å
53P84.8Confident81.2Confident68 Ų6860.4 Ų60.444%0.44234%0.341SS..Hα-helixtrans-62.8-42.6175.3-27.238.7000112.7S48 V49 V55 N56 A57S48-P53 WeakPolarHBondContact O-CD 3.38Å; V49-P53 WeakPolarHBondContact O-CD 3.4Å; V49-P53 WeakPolarHBondContact O-CG 3.45Å; P53-V55 PolarHBondContact O-N 3.28Å; P53-N56 CarbonylContact O-C 3.45Å; P53-N56 PolarHBondContact O-N 2.71Å; P53-A57 WeakPolarHBondContact O-CB 3.48Å; P53-A57 PolarHBondContact O-N 2.8Å
54L86.1Confident79.6Confident96 Ų9667.6 Ų67.650%0.50337%0.37SS..Hα-helixtrans-60.2-48178.218062.4000111.9V50 I51 N56 A57 L58V50-L54 VanDerWaalsContact O-CB 3.28Å; V50-L54 WeakPolarHBondContact O-CB 3.4Å; V50-L54 PolarHBondContact O-N 3.35Å; I51-L54 PolarHBondContact O-N 2.7Å; L54-N56 VanDerWaalsContact C-N 3.29Å; L54-N56 PolarHBondContact O-N 2.79Å; L54-A57 PolarHBondContact O-N 3.23Å; L54-L58 HydrophobicContact CD1-CD1 4.2Å; L54-L58 HydrophobicContact CD1-CG 4.24Å; L54-L58 HydrophobicContact CG-CD1 4.13Å; L54-L58 WeakPolarHBondContact O-CB 3.27Å; L54-L58 WeakPolarHBondContact O-CG 3.32Å; L54-L58 PolarHBondContact O-N 3.04Å
55V81.8Confident77.7Confident37 Ų3774.8 Ų74.822%0.22441%0.409CS..Hα-helixtrans-61.6-39.1176.31700000110.9I51 P53 R59 L82I51-V55 HydrophobicContact CG2-CG2 3.96Å; I51-V55 WeakPolarHBondContact O-CB 3.26Å; I51-V55 VanDerWaalsContact O-CG2 3.28Å; I51-V55 WeakPolarHBondContact O-CG2 3.29Å; I51-V55 PolarHBondContact O-N 2.83Å; P53-V55 PolarHBondContact O-N 3.28Å; V55-R59 VanDerWaalsContact O-CB 3.29Å; V55-R59 WeakPolarHBondContact O-CB 3.45Å; V55-R59 WeakPolarHBondContact O-CG 3.39Å; V55-R59 PolarHBondContact O-N 3.43Å; V55-L82 HydrophobicContact CG1-CD1 4.43Å; V55-L82 HydrophobicContact CG2-CD1 4.46Å
56N81.7Confident75.8Confident73 Ų7373.3 Ų73.339%0.3941%0.41SS..Hα-helixtrans-70.1-37.2177.3-173.351.6000112.3A52 P53 L54 T60 K75A52-N56 WeakPolarHBondContact O-CB 3.46Å; A52-N56 PolarHBondContact O-N 3Å; P53-N56 CarbonylContact O-C 3.45Å; P53-N56 PolarHBondContact O-N 2.71Å; L54-N56 VanDerWaalsContact C-N 3.29Å; L54-N56 PolarHBondContact O-N 2.79Å; N56-T60 VanDerWaalsContact O-CB 3.28Å; N56-T60 WeakPolarHBondContact O-CB 3.29Å; N56-T60 PolarHBondContact O-N 3.01Å; N56-T60 PolarHBondContact O-OG1 3.44Å; N56-K75 VanDerWaalsContact OD1-CE 3.31Å; N56-K75 WeakPolarHBondContact OD1-CE 3.21Å; N56-K75 PolarHBondContact OD1-NZ 3.44Å; N56-K75 VanDerWaalsContact OD1-NZ 3.11Å
57A82.3Confident73.8Confident57 Ų5782.8 Ų82.847%0.47144%0.439SS..Hα-helixtrans-65-51.8175.900000111.2P53 L54 R59 T60 A61P53-A57 WeakPolarHBondContact O-CB 3.48Å; P53-A57 PolarHBondContact O-N 2.8Å; L54-A57 PolarHBondContact O-N 3.23Å; A57-R59 VanDerWaalsContact C-N 3.26Å; A57-R59 PolarHBondContact O-N 3.06Å; A57-T60 PolarHBondContact O-N 2.99Å; A57-T60 VanDerWaalsContact O-N 3.12Å; A57-A61 WeakPolarHBondContact O-CB 3.48Å; A57-A61 PolarHBondContact O-N 2.69Å
58L82.3Confident72.1Confident105 Ų10586.9 Ų86.955%0.5546%0.464SS..Hα-helixtrans-59.5-36.3177.4-68.5174.9000112.4L54 K62L54-L58 HydrophobicContact CD1-CD1 4.2Å; L54-L58 HydrophobicContact CD1-CG 4.24Å; L54-L58 HydrophobicContact CG-CD1 4.13Å; L54-L58 WeakPolarHBondContact O-CB 3.27Å; L54-L58 WeakPolarHBondContact O-CG 3.32Å; L54-L58 PolarHBondContact O-N 3.04Å; L58-K62 WeakPolarHBondContact O-CG 3.32Å; L58-K62 PolarHBondContact O-N 2.83Å
59R73.7Confident70.2Confident114 Ų11496.9 Ų96.943%0.4350%0.499SS..Hα-helixtrans-74.3-38.4175.6-74.6177179.2-178.83.9112.7V55 A57 K62 I63V55-R59 VanDerWaalsContact O-CB 3.29Å; V55-R59 WeakPolarHBondContact O-CB 3.45Å; V55-R59 WeakPolarHBondContact O-CG 3.39Å; V55-R59 PolarHBondContact O-N 3.43Å; A57-R59 VanDerWaalsContact C-N 3.26Å; A57-R59 PolarHBondContact O-N 3.06Å; R59-K62 PolarHBondContact O-N 2.9Å; R59-I63 WeakPolarHBondContact O-CB 3.47Å; R59-I63 WeakPolarHBondContact O-CD1 3.45Å; R59-I63 WeakPolarHBondContact O-CG1 3.24Å; R59-I63 PolarHBondContact O-N 3.41Å
60T69.4Low68.4Low59 Ų5999.2 Ų99.236%0.36251%0.513SS..Hα-helixtrans-67.7-39.9178.7-57.40000110.7N56 A57 K62 I63 Q64N56-T60 VanDerWaalsContact O-CB 3.28Å; N56-T60 WeakPolarHBondContact O-CB 3.29Å; N56-T60 PolarHBondContact O-N 3.01Å; N56-T60 PolarHBondContact O-OG1 3.44Å; A57-T60 PolarHBondContact O-N 2.99Å; A57-T60 VanDerWaalsContact O-N 3.12Å; T60-K62 VanDerWaalsContact C-N 3.26Å; T60-K62 PolarHBondContact O-N 3.3Å; T60-I63 PolarHBondContact O-N 3.45Å; T60-I63 VanDerWaalsContact O-N 3.09Å; T60-Q64 PolarHBondContact O-N 3.04Å
61A70.8Confident66.5Low61 Ų61101.1 Ų101.150%0.50451%0.514SS..Hα-helixtrans-56.8-38.8170.600000112.3A57A57-A61 WeakPolarHBondContact O-CB 3.48Å; A57-A61 PolarHBondContact O-N 2.69Å
62K62.2Low64.7Low166 Ų166104.1 Ų104.172%0.72253%0.53SS*.Hα-helixtrans-73.7-31174.8-72.8-178.6176.7-172.80113.9L58 R59 T60L58-K62 WeakPolarHBondContact O-CG 3.32Å; L58-K62 PolarHBondContact O-N 2.83Å; R59-K62 PolarHBondContact O-N 2.9Å; T60-K62 VanDerWaalsContact C-N 3.26Å; T60-K62 PolarHBondContact O-N 3.3Å
63I56.6Low62.8Low72 Ų72107.7 Ų107.737%0.36955%0.554SS.*Hα-helixtrans-85.7-16.1-175-68.6166.1000112.8R59 T60 N65 A66R59-I63 WeakPolarHBondContact O-CB 3.47Å; R59-I63 WeakPolarHBondContact O-CD1 3.45Å; R59-I63 WeakPolarHBondContact O-CG1 3.24Å; R59-I63 PolarHBondContact O-N 3.41Å; T60-I63 PolarHBondContact O-N 3.45Å; T60-I63 VanDerWaalsContact O-N 3.09Å; I63-N65 PolarHBondContact O-N 3.42Å; I63-A66 PolarHBondContact O-N 3.06Å
64Q53.9Low61.1Low167 Ų167109.8 Ų109.878%0.7856%0.562SS**THydrogen-bonded Turntrans-54.9-17167.3-82.1-179.2-50.800112.8T60T60-Q64 PolarHBondContact O-N 3.04Å
65N51.8Low59.4Low152 Ų152108.7 Ų108.781%0.81355%0.553SS**THydrogen-bonded Turntrans-90.31.2172.4-66.7-20000115.5I63I63-N65 PolarHBondContact O-N 3.42Å
66A49.9Very low58Low44 Ų44114.3 Ų114.336%0.36457%0.57SS.*SBendtrans-143.6103-17800000113.2I63 T68I63-A66 PolarHBondContact O-N 3.06Å; A66-T68 PolarHBondContact O-N 3.06Å
67Y46.9Very low56.8Low239 Ų239116 Ų11694%0.93758%0.58SS**  trans-6095.4173.5-142-91.6000111.1
68T50.9Low55.9Low85 Ų85119.2 Ų119.252%0.52158%0.583SS.*  trans-166113.6156.8-1.20000114.4A66 V70 K71A66-T68 PolarHBondContact O-N 3.06Å; T68-V70 HydrophobicContact CG2-CB 4.38Å; T68-V70 HydrophobicContact CG2-CG2 4.18Å; T68-V70 PolarHBondContact O-N 2.73Å; T68-V70 VanDerWaalsContact O-N 3.14Å; T68-K71 PolarHBondContact O-N 3.27Å
69R46.5Very low55.2Low229 Ų229118.7 Ų118.786%0.86458%0.576SS**THydrogen-bonded Turntrans-57.3-19170.6-72.2-169.3-82.6-150-2.5114.4K71 L72R69-K71 VanDerWaalsContact C-N 3.26Å; R69-K71 PolarHBondContact O-N 3.33Å; R69-L72 PolarHBondContact O-N 3.04Å
70V50.3Low54.8Low122 Ų122114.3 Ų114.374%0.73956%0.563SS**THydrogen-bonded Turntrans-65.2-25.3-178.1-179.90000112.8T68 L72T68-V70 HydrophobicContact CG2-CB 4.38Å; T68-V70 HydrophobicContact CG2-CG2 4.18Å; T68-V70 PolarHBondContact O-N 2.73Å; T68-V70 VanDerWaalsContact O-N 3.14Å; V70-L72 VanDerWaalsContact C-N 3.34Å; V70-L72 PolarHBondContact O-N 2.99Å
71K47.4Very low55Low127 Ų127114.7 Ų114.755%0.55257%0.568SS**Hα-helixtrans-75.5-13.7179.8-73.4-177.9-178.9171.90114.7T68 R69 C73 K75T68-K71 PolarHBondContact O-N 3.27Å; R69-K71 VanDerWaalsContact C-N 3.26Å; R69-K71 PolarHBondContact O-N 3.33Å; K71-C73 PolarHBondContact O-N 3.14Å; K71-K75 WeakPolarHBondContact O-CB 3.3Å; K71-K75 PolarHBondContact O-N 3.3Å; K71-K75 VanDerWaalsContact O-N 3.07Å
72L47.3Very low55.3Low110 Ų110113.7 Ų113.758%0.57655%0.554SS**Hα-helixtrans-65.9-35-178.6-100.2155000113.1R69 V70 K75 R76R69-L72 PolarHBondContact O-N 3.04Å; V70-L72 VanDerWaalsContact C-N 3.34Å; V70-L72 PolarHBondContact O-N 2.99Å; L72-K75 HydrophobicContact CD2-CD 4.17Å; L72-K75 WeakPolarHBondContact O-CB 3.31Å; L72-K75 PolarHBondContact O-N 3.35Å; L72-R76 PolarHBondContact O-N 3.04Å
73C42.2Very low55.9Low78 Ų78106.2 Ų106.253%0.52752%0.522SS..Hα-helixtrans-70.2-43.2179.9-157.40000111.7K71 K75 R76K71-C73 PolarHBondContact O-N 3.14Å; C73-K75 PolarHBondContact O-N 3.18Å; C73-R76 PolarHBondContact O-N 2.96Å; C73-R76 PolarHBondContact SG-NH2 3.33Å; C73-R76 VanDerWaalsContact SG-NH2 3.44Å
74N49.8Very low56.8Low112 Ų112105 Ų10560%0.59952%0.516SS*.Hα-helixtrans-66-21.8171.6-112.6-11.1000113K78N74-K78 PolarHBondContact O-N 3.49Å
75K50.2Low58Low74 Ų7499.8 Ų99.832%0.32250%0.501SS..Hα-helixtrans-65.7-38.3177-143.8-179.8-173.5-170.30112.2N56 K71 L72 C73 N77 F79N56-K75 VanDerWaalsContact OD1-CE 3.31Å; N56-K75 WeakPolarHBondContact OD1-CE 3.21Å; N56-K75 PolarHBondContact OD1-NZ 3.44Å; N56-K75 VanDerWaalsContact OD1-NZ 3.11Å; K71-K75 WeakPolarHBondContact O-CB 3.3Å; K71-K75 PolarHBondContact O-N 3.3Å; K71-K75 VanDerWaalsContact O-N 3.07Å; L72-K75 HydrophobicContact CD2-CD 4.17Å; L72-K75 WeakPolarHBondContact O-CB 3.31Å; L72-K75 PolarHBondContact O-N 3.35Å; C73-K75 PolarHBondContact O-N 3.18Å; K75-N77 PolarHBondContact O-N 3Å; K75-F79 PolarHBondContact O-N 2.57Å
76R51.8Low59.3Low155 Ų15595.7 Ų95.759%0.58548%0.476SS*.Hα-helixtrans-66.9-34.1-177.7-90.3-171.3-59.4149.44.1113.5L72 C73 K146L72-R76 PolarHBondContact O-N 3.04Å; C73-R76 PolarHBondContact O-N 2.96Å; C73-R76 PolarHBondContact SG-NH2 3.33Å; C73-R76 VanDerWaalsContact SG-NH2 3.44Å; R76-K146 WeakPolarHBondContact O-CE 3.22Å; R76-K146 PolarHBondContact O-NZ 3.11Å
77N56.7Low60.7Low109 Ų10993.9 Ų93.958%0.58346%0.461SS*.Hα-helixtrans-78.7-41.4-179.2-70.2-5.5000111.1K75 F79 S80 S81K75-N77 PolarHBondContact O-N 3Å; N77-F79 VanDerWaalsContact C-N 3.32Å; N77-F79 PolarHBondContact O-N 2.88Å; N77-S80 VanDerWaalsContact O-CB 3.29Å; N77-S80 WeakPolarHBondContact O-CB 3.38Å; N77-S80 PolarHBondContact O-N 3Å; N77-S81 PolarHBondContact O-N 2.87Å
78K62.7Low62.4Low124 Ų12488 Ų8854%0.53944%0.44SS..Hα-helixtrans-64.6-32.8177.4-70.6-169.6179.4-171.50113.8N74 S81 L82N74-K78 PolarHBondContact O-N 3.49Å; K78-S81 WeakPolarHBondContact CA-OG 3.36Å; K78-S81 PolarHBondContact O-OG 3.3Å; K78-L82 WeakPolarHBondContact O-CB 3.49Å; K78-L82 PolarHBondContact O-N 3.45Å; K78-L82 VanDerWaalsContact O-N 3.11Å
79F67.5Low63.8Low94 Ų9486.7 Ų86.741%0.41244%0.438SS..Hα-helixtrans-64.4-47.1173.8-176.4-99.5000111A52 K75 N77 S81 L82 L83A52-F79 HydrophobicContact CB-CD2 4.36Å; A52-F79 HydrophobicContact CB-CE2 3.4Å; A52-F79 HydrophobicContact CB-CZ 3.87Å; K75-F79 PolarHBondContact O-N 2.57Å; N77-F79 VanDerWaalsContact C-N 3.32Å; N77-F79 PolarHBondContact O-N 2.88Å; F79-S81 VanDerWaalsContact C-N 3.34Å; F79-S81 PolarHBondContact O-N 3.43Å; F79-L82 PolarHBondContact O-N 3.16Å; F79-L83 HydrophobicContact CD1-CD1 3.76Å; F79-L83 HydrophobicContact CD1-CG 4.37Å; F79-L83 HydrophobicContact CE1-CD1 3.25Å; F79-L83 HydrophobicContact CE1-CG 4.08Å; F79-L83 HydrophobicContact CZ-CD1 3.75Å; F79-L83 HydrophobicContact CZ-CD2 4.37Å; F79-L83 HydrophobicContact CZ-CG 4.26Å; F79-L83 WeakPolarHBondContact O-CG 3.33Å; F79-L83 PolarHBondContact O-N 3.49Å; F79-L83 VanDerWaalsContact O-N 3.12Å
80S66.6Low65.4Low22 Ų2276.2 Ų76.215%0.15440%0.401CS..Hα-helixtrans-55.8-49.3175.5-152.20000111.8N77 L82 L83 I84 K146N77-S80 VanDerWaalsContact O-CB 3.29Å; N77-S80 WeakPolarHBondContact O-CB 3.38Å; N77-S80 PolarHBondContact O-N 3Å; S80-L82 VanDerWaalsContact C-N 3.3Å; S80-L82 PolarHBondContact O-N 3.44Å; S80-L83 PolarHBondContact O-N 2.82Å; S80-I84 WeakPolarHBondContact O-CB 3.37Å; S80-I84 VanDerWaalsContact O-CD1 3.26Å; S80-I84 WeakPolarHBondContact O-CD1 3.44Å; S80-I84 WeakPolarHBondContact O-CG1 3.39Å; S80-I84 PolarHBondContact O-N 3.01Å; S80-I84 VanDerWaalsContact O-N 3.08Å; S80-K146 VanDerWaalsContact OG-CE 3.22Å; S80-K146 WeakPolarHBondContact OG-CE 3.48Å; S80-K146 WeakPolarHBondContact OG-CG 3.45Å
81S73Confident67Low67 Ų6773.8 Ų73.847%0.46938%0.383SS..Hα-helixtrans-65.2-35.4-176.363.70000112.1N77 K78 F79 A85N77-S81 PolarHBondContact O-N 2.87Å; K78-S81 WeakPolarHBondContact CA-OG 3.36Å; K78-S81 PolarHBondContact O-OG 3.3Å; F79-S81 VanDerWaalsContact C-N 3.34Å; F79-S81 PolarHBondContact O-N 3.43Å; S81-A85 WeakPolarHBondContact O-CB 3.34Å; S81-A85 PolarHBondContact O-N 3.29Å
82L76.1Confident68.7Low39 Ų3971.7 Ų71.720%0.20438%0.384CS..Hα-helixtrans-68.1-46178-174.6139.7000111.3I51 V55 K78 F79 S80 I84 A85 F86I51-L82 HydrophobicContact CG2-CD2 4.37Å; V55-L82 HydrophobicContact CG1-CD1 4.43Å; V55-L82 HydrophobicContact CG2-CD1 4.46Å; K78-L82 WeakPolarHBondContact O-CB 3.49Å; K78-L82 PolarHBondContact O-N 3.45Å; K78-L82 VanDerWaalsContact O-N 3.11Å; F79-L82 PolarHBondContact O-N 3.16Å; S80-L82 VanDerWaalsContact C-N 3.3Å; S80-L82 PolarHBondContact O-N 3.44Å; L82-I84 VanDerWaalsContact C-N 3.33Å; L82-I84 PolarHBondContact O-N 3.29Å; L82-A85 WeakPolarHBondContact O-CB 3.34Å; L82-A85 PolarHBondContact O-N 3.36Å; L82-F86 HydrophobicContact CD1-CE2 4.43Å; L82-F86 HydrophobicContact CD2-CD2 3.74Å; L82-F86 HydrophobicContact CD2-CE2 3.61Å; L82-F86 HydrophobicContact CG-CD2 4.06Å; L82-F86 HydrophobicContact CG-CE2 3.79Å; L82-F86 WeakPolarHBondContact O-CD2 3.33Å; L82-F86 PolarHBondContact O-N 2.89Å; L82-F86 VanDerWaalsContact O-N 3.1Å
83L75.3Confident70.6Confident10 Ų1070.2 Ų70.25%0.05238%0.376CS..Hα-helixtrans-60.4-44.7177.2-65.8178.1000112A52 F79 S80 A85 F86 T87 V149A52-L83 HydrophobicContact CB-CD2 4Å; F79-L83 HydrophobicContact CD1-CD1 3.76Å; F79-L83 HydrophobicContact CD1-CG 4.37Å; F79-L83 HydrophobicContact CE1-CD1 3.25Å; F79-L83 HydrophobicContact CE1-CG 4.08Å; F79-L83 HydrophobicContact CZ-CD1 3.75Å; F79-L83 HydrophobicContact CZ-CD2 4.37Å; F79-L83 HydrophobicContact CZ-CG 4.26Å; F79-L83 WeakPolarHBondContact O-CG 3.33Å; F79-L83 PolarHBondContact O-N 3.49Å; F79-L83 VanDerWaalsContact O-N 3.12Å; S80-L83 PolarHBondContact O-N 2.82Å; L83-A85 VanDerWaalsContact C-N 3.33Å; L83-A85 PolarHBondContact O-N 3.29Å; L83-F86 PolarHBondContact O-N 3.47Å; L83-T87 PolarHBondContact O-N 2.93Å; L83-T87 VanDerWaalsContact O-N 3.1Å; L83-T87 PolarHBondContact O-OG1 3.02Å; L83-V149 HydrophobicContact CB-CG1 4.4Å; L83-V149 HydrophobicContact CB-CG2 3.96Å; L83-V149 HydrophobicContact CD1-CB 4.45Å; L83-V149 HydrophobicContact CD1-CG1 3.99Å; L83-V149 HydrophobicContact CD2-CG1 4.45Å
84I75.6Confident72.4Confident46 Ų4666.6 Ų66.624%0.23635%0.351CS..Hα-helixtrans-56.7-49174.7-69.5165.6000110.6S80 L82 F86 T87 F88 A145S80-I84 WeakPolarHBondContact O-CB 3.37Å; S80-I84 VanDerWaalsContact O-CD1 3.26Å; S80-I84 WeakPolarHBondContact O-CD1 3.44Å; S80-I84 WeakPolarHBondContact O-CG1 3.39Å; S80-I84 PolarHBondContact O-N 3.01Å; S80-I84 VanDerWaalsContact O-N 3.08Å; L82-I84 VanDerWaalsContact C-N 3.33Å; L82-I84 PolarHBondContact O-N 3.29Å; I84-F86 PolarHBondContact O-N 3.48Å; I84-T87 PolarHBondContact O-N 2.95Å; I84-F88 HydrophobicContact CG2-CD2 3.48Å; I84-F88 VanDerWaalsContact CG2-CD2 3.48Å; I84-F88 HydrophobicContact CG2-CE2 3.65Å; I84-F88 VanDerWaalsContact O-CD2 3.31Å; I84-F88 WeakPolarHBondContact O-CD2 3.44Å; I84-F88 PolarHBondContact O-N 2.94Å; I84-A145 HydrophobicContact CD1-CB 3.28Å; I84-A145 HydrophobicContact CG1-CB 3.41Å; I84-A145 VanDerWaalsContact CG1-CB 3.41Å
85A79.8Confident74Confident57 Ų5765 Ų6547%0.47135%0.348SS..Hα-helixtrans-58.5-37.5-179.400000111.9S81 L82 L83 A89S81-A85 WeakPolarHBondContact O-CB 3.34Å; S81-A85 PolarHBondContact O-N 3.29Å; L82-A85 WeakPolarHBondContact O-CB 3.34Å; L82-A85 PolarHBondContact O-N 3.36Å; L83-A85 VanDerWaalsContact C-N 3.33Å; L83-A85 PolarHBondContact O-N 3.29Å; A85-A89 WeakPolarHBondContact O-CA 3.23Å; A85-A89 WeakPolarHBondContact O-CB 3.32Å; A85-A89 PolarHBondContact O-N 3.5Å
86F79.4Confident75.7Confident67 Ų6767 Ų6729%0.29436%0.361SS..Hα-helixtrans-70.1-42.2176.3-82-74000113.2I51 L82 L83 I84 A89 G90I51-F86 HydrophobicContact CB-CE2 4.44Å; I51-F86 HydrophobicContact CB-CZ 4.48Å; I51-F86 HydrophobicContact CD1-CD1 3.88Å; I51-F86 HydrophobicContact CD1-CE1 3.31Å; I51-F86 HydrophobicContact CD1-CE2 4.13Å; I51-F86 HydrophobicContact CD1-CG 4.5Å; I51-F86 HydrophobicContact CD1-CZ 3.48Å; I51-F86 VanDerWaalsContact CD1-CZ 3.48Å; I51-F86 HydrophobicContact CG2-CE2 3.71Å; I51-F86 HydrophobicContact CG2-CZ 3.77Å; L82-F86 HydrophobicContact CD1-CE2 4.43Å; L82-F86 HydrophobicContact CD2-CD2 3.74Å; L82-F86 HydrophobicContact CD2-CE2 3.61Å; L82-F86 HydrophobicContact CG-CD2 4.06Å; L82-F86 HydrophobicContact CG-CE2 3.79Å; L82-F86 WeakPolarHBondContact O-CD2 3.33Å; L82-F86 PolarHBondContact O-N 2.89Å; L82-F86 VanDerWaalsContact O-N 3.1Å; L83-F86 PolarHBondContact O-N 3.47Å; I84-F86 PolarHBondContact O-N 3.48Å; F86-A89 PolarHBondContact O-N 3.28Å; F86-G90 PolarHBondContact O-N 2.92Å
87T78Confident77.3Confident6 Ų663.3 Ų63.34%0.03735%0.352CS..Hα-helixtrans-59.7-49.6174.3-55.70000111T44 L83 I84 G90 I91 M148T44-T87 WeakPolarHBondContact OG1-CB 3.27Å; T44-T87 WeakPolarHBondContact OG1-CG2 3.2Å; T44-T87 PolarHBondContact OG1-OG1 3.48Å; L83-T87 PolarHBondContact O-N 2.93Å; L83-T87 VanDerWaalsContact O-N 3.1Å; L83-T87 PolarHBondContact O-OG1 3.02Å; I84-T87 PolarHBondContact O-N 2.95Å; T87-G90 PolarHBondContact O-N 2.82Å; T87-I91 HydrophobicContact CG2-CD1 4.24Å; T87-I91 WeakPolarHBondContact O-CG1 3.21Å; T87-I91 PolarHBondContact O-N 2.86Å; T87-M148 HydrophobicContact CG2-CE 3.91Å
88F82.5Confident78.6Confident115 Ų11559.5 Ų59.550%0.50433%0.331SS..Hα-helixtrans-70.1-36.7179.8-79.7-76000112.8I84 G90 I91 C92I84-F88 HydrophobicContact CG2-CD2 3.48Å; I84-F88 VanDerWaalsContact CG2-CD2 3.48Å; I84-F88 HydrophobicContact CG2-CE2 3.65Å; I84-F88 VanDerWaalsContact O-CD2 3.31Å; I84-F88 WeakPolarHBondContact O-CD2 3.44Å; I84-F88 PolarHBondContact O-N 2.94Å; F88-G90 VanDerWaalsContact C-N 3.28Å; F88-G90 PolarHBondContact O-N 3.42Å; F88-I91 PolarHBondContact O-N 3.23Å; F88-C92 WeakPolarHBondContact O-CB 3.45Å; F88-C92 PolarHBondContact O-N 3.48Å; F88-C92 PolarHBondContact O-SG 2.9Å
89A81.9Confident79.6Confident57 Ų5756 Ų5647%0.47133%0.325SS..Hα-helixtrans-60.3-40.4174.300000111.2A85 F86 C92 L93A85-A89 WeakPolarHBondContact O-CA 3.23Å; A85-A89 WeakPolarHBondContact O-CB 3.32Å; A85-A89 PolarHBondContact O-N 3.5Å; F86-A89 PolarHBondContact O-N 3.28Å; A89-C92 PolarHBondContact O-N 3.27Å; A89-L93 WeakPolarHBondContact O-CB 3.44Å; A89-L93 PolarHBondContact O-N 3.43Å
90G80.1Confident80.6Confident9 Ų954.3 Ų54.39%0.09333%0.328CS..Hα-helixtrans-60.1-48.1173.900000112.4L39 F86 T87 F88 L93 A94L39-G90 WeakPolarHBondContact CB-O 3.35Å; F86-G90 PolarHBondContact O-N 2.92Å; T87-G90 PolarHBondContact O-N 2.82Å; F88-G90 VanDerWaalsContact C-N 3.28Å; F88-G90 PolarHBondContact O-N 3.42Å; G90-L93 PolarHBondContact O-N 3.22Å; G90-A94 PolarHBondContact O-N 2.99Å
91I82.1Confident81.3Confident71 Ų7158.4 Ų58.436%0.36434%0.341SS..Hα-helixtrans-64.7-45.3179.1-62.6168.7000111.1A36 T87 F88 L93 A94 P95A36-I91 HydrophobicContact CB-CG2 4.49Å; T87-I91 HydrophobicContact CG2-CD1 4.24Å; T87-I91 WeakPolarHBondContact O-CG1 3.21Å; T87-I91 PolarHBondContact O-N 2.86Å; F88-I91 PolarHBondContact O-N 3.23Å; I91-L93 VanDerWaalsContact C-N 3.25Å; I91-L93 PolarHBondContact O-N 3.1Å; I91-A94 WeakPolarHBondContact O-CB 3.41Å; I91-A94 PolarHBondContact O-N 3.22Å; I91-P95 WeakPolarHBondContact O-CD 3.44Å
92C85Confident81.7Confident84 Ų8457.9 Ų57.957%0.56833%0.332SS*.Hα-helixtrans-68.6-23.4179.1-68.70000113.2F88 A89 A94 P95F88-C92 WeakPolarHBondContact O-CB 3.45Å; F88-C92 PolarHBondContact O-N 3.48Å; F88-C92 PolarHBondContact O-SG 2.9Å; A89-C92 PolarHBondContact O-N 3.27Å; C92-A94 VanDerWaalsContact C-N 3.26Å; C92-P95 WeakPolarHBondContact O-CD 3.1Å
93L86Confident82.2Confident79 Ų7963.1 Ų63.141%0.41436%0.359SS..Hα-helixtrans-76.3-16173.4-16964000111.9L39 A89 G90 I91 L96 L97L39-L93 HydrophobicContact CD1-CB 4.38Å; A89-L93 WeakPolarHBondContact O-CB 3.44Å; A89-L93 PolarHBondContact O-N 3.43Å; G90-L93 PolarHBondContact O-N 3.22Å; I91-L93 VanDerWaalsContact C-N 3.25Å; I91-L93 PolarHBondContact O-N 3.1Å; L93-L96 HydrophobicContact CD1-CB 4.25Å; L93-L96 HydrophobicContact CD1-CD1 4.02Å; L93-L96 PolarHBondContact O-N 3.2Å; L93-L97 HydrophobicContact CD2-CD1 4.02Å; L93-L97 HydrophobicContact CG-CD1 3.91Å; L93-L97 HydrophobicContact CG-CG 4.04Å; L93-L97 PolarHBondContact O-N 2.69Å
94A80.5Confident82.8Confident1 Ų166.1 Ų66.11%0.00838%0.376CS..Hα-helixtrans-63.4-49.3-177.700000113.9I35 A36 L39 G90 I91 C92 L96 L97 E98I35-A94 HydrophobicContact CB-CB 4.44Å; I35-A94 HydrophobicContact CG2-CB 3.88Å; A36-A94 VanDerWaalsContact CA-CB 3.43Å; A36-A94 HydrophobicContact CB-CB 3.65Å; L39-A94 HydrophobicContact CD1-CB 3.85Å; G90-A94 PolarHBondContact O-N 2.99Å; I91-A94 WeakPolarHBondContact O-CB 3.41Å; I91-A94 PolarHBondContact O-N 3.22Å; C92-A94 VanDerWaalsContact C-N 3.26Å; A94-L96 PolarHBondContact O-N 2.99Å; A94-L97 PolarHBondContact O-N 2.92Å; A94-E98 WeakPolarHBondContact O-CB 3.35Å; A94-E98 PolarHBondContact O-N 3.49Å
95P83.2Confident83.1Confident80 Ų8069.4 Ų69.452%0.51940%0.403SS..Hα-helixtrans-60.9-34175.2-22.734000112.6I91 C92 A99I91-P95 WeakPolarHBondContact O-CD 3.44Å; C92-P95 WeakPolarHBondContact O-CD 3.1Å; P95-A99 VanDerWaalsContact O-CB 3.23Å; P95-A99 WeakPolarHBondContact O-CB 3.37Å; P95-A99 PolarHBondContact O-N 2.86Å
96L86.4Confident83.3Confident114 Ų11472.8 Ų72.860%0.59741%0.413SS*.Hα-helixtrans-68-44.6177.8-67.3173.6000111.4L93 A94 A99 A100L93-L96 HydrophobicContact CD1-CB 4.25Å; L93-L96 HydrophobicContact CD1-CD1 4.02Å; L93-L96 PolarHBondContact O-N 3.2Å; A94-L96 PolarHBondContact O-N 2.99Å; L96-A99 PolarHBondContact O-N 3.5Å; L96-A100 WeakPolarHBondContact O-CB 3.2Å; L96-A100 PolarHBondContact O-N 3.35Å
97L84.6Confident83.6Confident78 Ų7871.2 Ų71.241%0.40841%0.409SS..Hα-helixtrans-71-34.2177.1-74.8176.1000112.4L39 L93 A94 R101L39-L97 HydrophobicContact CD1-CD1 3.51Å; L39-L97 HydrophobicContact CD1-CG 4.5Å; L39-L97 HydrophobicContact CD2-CD1 3.87Å; L39-L97 HydrophobicContact CG-CD1 4.31Å; L93-L97 HydrophobicContact CD2-CD1 4.02Å; L93-L97 HydrophobicContact CG-CD1 3.91Å; L93-L97 HydrophobicContact CG-CG 4.04Å; L93-L97 PolarHBondContact O-N 2.69Å; A94-L97 PolarHBondContact O-N 2.92Å; L97-R101 VanDerWaalsContact O-CB 3.32Å; L97-R101 WeakPolarHBondContact O-CB 3.24Å; L97-R101 PolarHBondContact O-N 3.31Å
98E84.5Confident84Confident30 Ų3074.2 Ų74.214%0.1443%0.427CS..Hα-helixtrans-63.9-49171.3-170.6-169.416500110.7K28 G32 I35 A94 A100 R101 L102K28-E98 VanDerWaalsContact C-OE1 3.32Å; G32-E98 WeakPolarHBondContact CA-OE2 3.43Å; I35-E98 HydrophobicContact CD1-CB 4.17Å; I35-E98 HydrophobicContact CD1-CG 4.41Å; A94-E98 WeakPolarHBondContact O-CB 3.35Å; A94-E98 PolarHBondContact O-N 3.49Å; E98-A100 PolarHBondContact O-N 3.31Å; E98-R101 WeakPolarHBondContact O-CB 3.32Å; E98-R101 PolarHBondContact O-N 2.67Å; E98-R101 VanDerWaalsContact O-N 3.14Å; E98-L102 HydrophobicContact CG-CD1 4.02Å; E98-L102 HydrophobicContact CG-CG 4.39Å; E98-L102 WeakPolarHBondContact O-CB 3.46Å; E98-L102 WeakPolarHBondContact O-CG 3.45Å; E98-L102 PolarHBondContact O-N 2.81Å
99A84.5Confident84.1Confident50 Ų5073.9 Ų73.941%0.41344%0.436SS..Hα-helixtrans-59.3-45.9176.600000111.5P95 L96 R101 L102 L103P95-A99 VanDerWaalsContact O-CB 3.23Å; P95-A99 WeakPolarHBondContact O-CB 3.37Å; P95-A99 PolarHBondContact O-N 2.86Å; L96-A99 PolarHBondContact O-N 3.5Å; A99-R101 VanDerWaalsContact C-N 3.26Å; A99-R101 PolarHBondContact O-N 3.4Å; A99-L102 PolarHBondContact O-N 2.69Å; A99-L103 VanDerWaalsContact O-CG 3.29Å; A99-L103 WeakPolarHBondContact O-CG 3.35Å; A99-L103 PolarHBondContact O-N 2.88Å
100A87Confident84.3Confident58 Ų5878 Ų7848%0.47945%0.446SS..Hα-helixtrans-58.7-38.8175.900000112.2L96 E98L96-A100 WeakPolarHBondContact O-CB 3.2Å; L96-A100 PolarHBondContact O-N 3.35Å; E98-A100 PolarHBondContact O-N 3.31Å
101R82.1Confident84.7Confident109 Ų10979.7 Ų79.741%0.41146%0.456SS..Hα-helixtrans-71.4-37.4176.7-173.8176.1-174.6176.44112.8L97 E98 A99 L103 D104 V107L97-R101 VanDerWaalsContact O-CB 3.32Å; L97-R101 WeakPolarHBondContact O-CB 3.24Å; L97-R101 PolarHBondContact O-N 3.31Å; E98-R101 WeakPolarHBondContact O-CB 3.32Å; E98-R101 PolarHBondContact O-N 2.67Å; E98-R101 VanDerWaalsContact O-N 3.14Å; A99-R101 VanDerWaalsContact C-N 3.26Å; A99-R101 PolarHBondContact O-N 3.4Å; R101-L103 VanDerWaalsContact C-N 3.25Å; R101-L103 PolarHBondContact O-N 2.95Å; R101-D104 WeakPolarHBondContact O-CB 3.26Å; R101-D104 PolarHBondContact O-N 2.6Å; R101-V107 HydrophobicContact CG-CG2 4.29Å; R101-V107 WeakPolarHBondContact O-CG2 3.47Å
102L81.7Confident85Confident55 Ų5576.7 Ų76.729%0.28844%0.441SS..Hα-helixtrans-75-15.4178.3-68.8176.3000113K28 E98 A99 D104 V107 V112K28-L102 HydrophobicContact CD-CD1 3.99Å; K28-L102 HydrophobicContact CG-CD1 4.19Å; E98-L102 HydrophobicContact CG-CD1 4.02Å; E98-L102 HydrophobicContact CG-CG 4.39Å; E98-L102 WeakPolarHBondContact O-CB 3.46Å; E98-L102 WeakPolarHBondContact O-CG 3.45Å; E98-L102 PolarHBondContact O-N 2.81Å; A99-L102 PolarHBondContact O-N 2.69Å; L102-D104 VanDerWaalsContact C-N 3.33Å; L102-V107 HydrophobicContact CD2-CG1 4.34Å; L102-V112 HydrophobicContact CD2-CG2 4.09Å
103L86.5Confident85.1Confident149 Ų14974.4 Ų74.478%0.7842%0.422SS*.THydrogen-bonded Turntrans-78.4-16.8171.2-73.7169.2000113A99 R101 S105A99-L103 VanDerWaalsContact O-CG 3.29Å; A99-L103 WeakPolarHBondContact O-CG 3.35Å; A99-L103 PolarHBondContact O-N 2.88Å; R101-L103 VanDerWaalsContact C-N 3.25Å; R101-L103 PolarHBondContact O-N 2.95Å; L103-S105 PolarHBondContact O-N 2.67Å
104D86.7Confident85.2Confident74 Ų7473.6 Ų73.640%0.39642%0.419SS..SBendtrans-69.6119.7175.3-174.4-11.5000109.7R101 L102 N106 V107R101-D104 WeakPolarHBondContact O-CB 3.26Å; R101-D104 PolarHBondContact O-N 2.6Å; L102-D104 VanDerWaalsContact C-N 3.33Å; D104-N106 PolarHBondContact O-N 3.25Å; D104-N106 VanDerWaalsContact O-N 3.1Å; D104-N106 WeakPolarHBondContact OD1-CB 3.37Å; D104-N106 PolarHBondContact OD1-N 3.29Å; D104-N106 PolarHBondContact OD1-ND2 3.24Å; D104-V107 HydrophobicContact CB-CG2 3.96Å; D104-V107 WeakPolarHBondContact O-CB 3.28Å; D104-V107 PolarHBondContact O-N 2.95Å
105S82.2Confident85.6Confident114 Ų11477.7 Ų77.780%0.79743%0.434SS*.THydrogen-bonded Turntrans-61.6-18.8-179.153.90000113.4L103 V107L103-S105 PolarHBondContact O-N 2.67Å; S105-V107 VanDerWaalsContact C-N 3.28Å
106N85.7Confident85.9Confident129 Ų12973.9 Ų73.969%0.6941%0.409SS*.THydrogen-bonded Turntrans-78.7-12.3176.4-58.5-66.8000113.1D104 T108D104-N106 PolarHBondContact O-N 3.25Å; D104-N106 VanDerWaalsContact O-N 3.1Å; D104-N106 WeakPolarHBondContact OD1-CB 3.37Å; D104-N106 PolarHBondContact OD1-N 3.29Å; D104-N106 PolarHBondContact OD1-ND2 3.24Å; N106-T108 PolarHBondContact O-N 2.81Å
107V84.7Confident86Confident34 Ų3468.6 Ų68.621%0.20638%0.381CS..  trans-89.594.2-178.2179.10000109.7R101 L102 D104 S105 V112R101-V107 HydrophobicContact CG-CG2 4.29Å; R101-V107 WeakPolarHBondContact O-CG2 3.47Å; L102-V107 HydrophobicContact CD2-CG1 4.34Å; D104-V107 HydrophobicContact CB-CG2 3.96Å; D104-V107 WeakPolarHBondContact O-CB 3.28Å; D104-V107 PolarHBondContact O-N 2.95Å; S105-V107 VanDerWaalsContact C-N 3.28Å; V107-V112 HydrophobicContact CG1-CG2 3.49Å; V107-V112 VanDerWaalsContact CG1-CG2 3.49Å
108T86.8Confident86.2Confident68 Ų6869.5 Ų69.542%0.41738%0.379SS..  trans-76.3152.3173.566.90000111N106 E110 S111 V112N106-T108 PolarHBondContact O-N 2.81Å; T108-E110 PolarHBondContact O-N 3.35Å; T108-S111 PolarHBondContact N-OG 3.44Å; T108-S111 WeakPolarHBondContact O-CB 3.41Å; T108-S111 PolarHBondContact O-N 3.45Å; T108-S111 PolarHBondContact O-OG 2.93Å; T108-S111 WeakPolarHBondContact OG1-CB 3.38Å; T108-S111 PolarHBondContact OG1-N 3.2Å; T108-S111 VanDerWaalsContact OG1-N 3.16Å; T108-V112 PolarHBondContact O-N 3.34Å
109P84.5Confident86.4Confident108 Ų10869.1 Ų69.170%0.70138%0.378SS*.Hα-helixtrans-54.1-37.9173.9-2634.5000112.9S111 V112 E113P109-S111 VanDerWaalsContact C-N 3.35Å; P109-S111 PolarHBondContact O-N 3.29Å; P109-V112 PolarHBondContact O-N 3.06Å; P109-E113 PolarHBondContact O-N 2.83Å
110E86.1Confident86.6Confident143 Ų14367.4 Ų67.467%0.66836%0.361SS*.Hα-helixtrans-63.1-39.3176-62.6-178.6-172.100112.4T108 V112 E113 D114T108-E110 PolarHBondContact O-N 3.35Å; E110-V112 VanDerWaalsContact C-N 3.3Å; E110-V112 PolarHBondContact O-N 3.03Å; E110-E113 PolarHBondContact O-N 3.48Å; E110-D114 WeakPolarHBondContact O-CB 2.99Å; E110-D114 PolarHBondContact O-N 3.28Å
111S87.6Confident86.5Confident45 Ų4565.8 Ų65.832%0.31534%0.342SS..Hα-helixtrans-65.3-34.7177.578.10000112.3T108 P109 R115T108-S111 PolarHBondContact N-OG 3.44Å; T108-S111 WeakPolarHBondContact O-CB 3.41Å; T108-S111 PolarHBondContact O-N 3.45Å; T108-S111 PolarHBondContact O-OG 2.93Å; T108-S111 WeakPolarHBondContact OG1-CB 3.38Å; T108-S111 PolarHBondContact OG1-N 3.2Å; T108-S111 VanDerWaalsContact OG1-N 3.16Å; P109-S111 VanDerWaalsContact C-N 3.35Å; P109-S111 PolarHBondContact O-N 3.29Å; S111-R115 WeakPolarHBondContact O-CB 3.29Å; S111-R115 PolarHBondContact O-N 3.4Å
112V88.5Confident86.8Confident8 Ų863.6 Ų63.65%0.04834%0.339CS..Hα-helixtrans-69.2-44.7175.9178.70000110P27 L31 L102 V107 T108 P109 E110 R115 C116P27-V112 HydrophobicContact CB-CG1 4.02Å; L31-V112 HydrophobicContact CB-CG1 4.32Å; L31-V112 HydrophobicContact CD2-CG1 3.85Å; L102-V112 HydrophobicContact CD2-CG2 4.09Å; V107-V112 HydrophobicContact CG1-CG2 3.49Å; V107-V112 VanDerWaalsContact CG1-CG2 3.49Å; T108-V112 PolarHBondContact O-N 3.34Å; P109-V112 PolarHBondContact O-N 3.06Å; E110-V112 VanDerWaalsContact C-N 3.3Å; E110-V112 PolarHBondContact O-N 3.03Å; V112-R115 WeakPolarHBondContact O-CB 3.21Å; V112-R115 PolarHBondContact O-N 2.93Å; V112-C116 PolarHBondContact O-N 3.49Å; V112-C116 PolarHBondContact O-SG 2.84Å
113E88.4Confident86.9Confident36 Ų3664.3 Ų64.317%0.16834%0.339CS..Hα-helixtrans-60.5-51.3175.9-175.3-173.2156.700111.6I24 P109 E110 R115 C116 Y117 N185 R187I24-E113 HydrophobicContact CB-CG 4.24Å; I24-E113 HydrophobicContact CD1-CG 3.62Å; I24-E113 VanDerWaalsContact CD1-O 3.24Å; I24-E113 WeakPolarHBondContact CD1-O 3.39Å; P109-E113 PolarHBondContact O-N 2.83Å; E110-E113 PolarHBondContact O-N 3.48Å; E113-R115 PolarHBondContact O-N 2.82Å; E113-C116 PolarHBondContact O-N 2.91Å; E113-Y117 WeakPolarHBondContact O-CB 3.33Å; E113-Y117 PolarHBondContact O-N 3.47Å; E113-N185 PolarHBondContact OE1-ND2 3.27Å; E113-R187 IonicContact OE1-CZ 3.13Å; E113-R187 IonicContact OE1-NE 2.8Å; E113-R187 PolarHBondContact OE1-NE 3.14Å; E113-R187 IonicContact OE1-NH2 3.62Å; E113-R187 PolarHBondContact OE1-NH2 3.06Å; E113-R187 IonicContact OE2-CZ 2.71Å; E113-R187 IonicContact OE2-NE 4Å; E113-R187 IonicContact OE2-NH2 3.46Å; E113-R187 PolarHBondContact OE2-NH2 2.84Å
114D87.6Confident86.9Confident63 Ų6360.8 Ų60.834%0.33732%0.318SS..Hα-helixtrans-61.4-33.2178.9176.741.5000111.7E110 R118E110-D114 WeakPolarHBondContact O-CB 2.99Å; E110-D114 PolarHBondContact O-N 3.28Å; D114-R118 WeakPolarHBondContact O-CG 3.44Å; D114-R118 PolarHBondContact O-N 2.9Å; D114-R118 PolarHBondContact O-NH1 2.92Å; D114-R118 IonicContact OD1-NH1 2.69Å; D114-R118 PolarHBondContact OD1-NH1 3.21Å; D114-R118 VanDerWaalsContact OD1-NH1 3.13Å; D114-R118 IonicContact OD2-CZ 3.66Å; D114-R118 IonicContact OD2-NH1 2.57Å; D114-R118 PolarHBondContact OD2-NH1 2.79Å; D114-R118 IonicContact OD2-NH2 3.94Å
115R88.5Confident87Confident86 Ų8658.9 Ų58.933%0.32531%0.307SS..Hα-helixtrans-64.7-49.1170.6-179.660.6179.3-170.43.3111.9L31 S111 V112 E113 Y117 R118 L119L31-R115 HydrophobicContact CD1-CG 4.31Å; S111-R115 WeakPolarHBondContact O-CB 3.29Å; S111-R115 PolarHBondContact O-N 3.4Å; V112-R115 WeakPolarHBondContact O-CB 3.21Å; V112-R115 PolarHBondContact O-N 2.93Å; E113-R115 PolarHBondContact O-N 2.82Å; R115-Y117 VanDerWaalsContact C-N 3.28Å; R115-Y117 PolarHBondContact O-N 3.27Å; R115-R118 PolarHBondContact O-N 3.25Å; R115-L119 HydrophobicContact CG-CD1 4.2Å; R115-L119 VanDerWaalsContact O-CG 3.29Å; R115-L119 WeakPolarHBondContact O-CG 3.5Å; R115-L119 PolarHBondContact O-N 3.34Å
116C90.1Very high87.4Confident0 Ų054.1 Ų54.10%027%0.272CS..Hα-helixtrans-60.2-42.2177.8-64.90000111.1I24 P27 E30 V112 E113 R118 L119 R120I24-C116 HydrophobicContact CD1-CB 3.91Å; I24-C116 HydrophobicContact CG2-CB 4.3Å; P27-C116 PolarHBondContact O-SG 3.46Å; E30-C116 HydrophobicContact CG-CB 4.43Å; V112-C116 PolarHBondContact O-N 3.49Å; V112-C116 PolarHBondContact O-SG 2.84Å; E113-C116 PolarHBondContact O-N 2.91Å; C116-R118 PolarHBondContact O-N 3.38Å; C116-L119 WeakPolarHBondContact O-CB 3.36Å; C116-L119 PolarHBondContact O-N 3.17Å; C116-R120 PolarHBondContact O-N 2.87Å
117Y87.8Confident87.6Confident3 Ų349.7 Ų49.71%0.01225%0.247CC..Hα-helixtrans-56.1-51.1175.4-177.4-105.8000111.4A22 E113 R115 L119 R120 Y121 K181 P182A22-Y117 HydrophobicContact CB-CE2 3.82Å; E113-Y117 WeakPolarHBondContact O-CB 3.33Å; E113-Y117 PolarHBondContact O-N 3.47Å; R115-Y117 VanDerWaalsContact C-N 3.28Å; R115-Y117 PolarHBondContact O-N 3.27Å; Y117-L119 VanDerWaalsContact C-N 3.27Å; Y117-L119 PolarHBondContact O-N 2.79Å; Y117-R120 PolarHBondContact O-N 2.89Å; Y117-Y121 HydrophobicContact CD2-CE2 4.02Å; Y117-Y121 HydrophobicContact CE1-CD2 4.47Å; Y117-Y121 HydrophobicContact CE1-CE2 4.2Å; Y117-Y121 HydrophobicContact CE2-CD2 4.43Å; Y117-Y121 AromaticContact CE2-CE2 3.55Å; Y117-Y121 HydrophobicContact CE2-CE2 3.55Å; Y117-Y121 AromaticContact CZ-CE2 3.66Å; Y117-Y121 VanDerWaalsContact O-CD2 3.29Å; Y117-Y121 WeakPolarHBondContact O-CD2 3.32Å; Y117-K181 HydrophobicContact CE1-CD 4.27Å; Y117-K181 VanDerWaalsContact CE1-CE 3.47Å; Y117-K181 HydrophobicContact CE1-CG 3.83Å; Y117-P182 WeakPolarHBondContact OH-CD 3.45Å; Y117-P182 WeakPolarHBondContact OH-CG 3.45Å
118R88Confident87.9Confident98 Ų9849.3 Ų49.337%0.3724%0.244SC..Hα-helixtrans-59.1-37.4175.2-74.4-168.3-63.9-85.95.4113.3D114 R115 C116 R120 Y121 N122D114-R118 WeakPolarHBondContact O-CG 3.44Å; D114-R118 PolarHBondContact O-N 2.9Å; D114-R118 PolarHBondContact O-NH1 2.92Å; D114-R118 IonicContact OD1-NH1 2.69Å; D114-R118 PolarHBondContact OD1-NH1 3.21Å; D114-R118 VanDerWaalsContact OD1-NH1 3.13Å; D114-R118 IonicContact OD2-CZ 3.66Å; D114-R118 IonicContact OD2-NH1 2.57Å; D114-R118 PolarHBondContact OD2-NH1 2.79Å; D114-R118 IonicContact OD2-NH2 3.94Å; R115-R118 PolarHBondContact O-N 3.25Å; C116-R118 PolarHBondContact O-N 3.38Å; R118-R120 VanDerWaalsContact C-N 3.34Å; R118-Y121 PolarHBondContact O-N 2.86Å; R118-N122 PolarHBondContact O-N 3.07Å
119L89.3Confident88.3Confident21 Ų2146.4 Ų46.411%0.1123%0.225CC..Hα-helixtrans-65.2-37.6179.9-70.7170.5000111.8L31 H34 R115 C116 Y117 Y121 N122L31-L119 HydrophobicContact CD1-CD1 4.39Å; H34-L119 HydrophobicContact CB-CD1 4.2Å; H34-L119 WeakPolarHBondContact NE2-CD2 3.32Å; R115-L119 HydrophobicContact CG-CD1 4.2Å; R115-L119 VanDerWaalsContact O-CG 3.29Å; R115-L119 WeakPolarHBondContact O-CG 3.5Å; R115-L119 PolarHBondContact O-N 3.34Å; C116-L119 WeakPolarHBondContact O-CB 3.36Å; C116-L119 PolarHBondContact O-N 3.17Å; Y117-L119 VanDerWaalsContact C-N 3.27Å; Y117-L119 PolarHBondContact O-N 2.79Å; L119-Y121 PolarHBondContact O-N 2.64Å; L119-N122 PolarHBondContact O-N 2.95Å; L119-N122 VanDerWaalsContact O-N 3.14Å
120R88Confident88.7Confident14 Ų1442.5 Ų42.55%0.05320%0.197CC..Hα-helixtrans-60.8-29177-69.3-177.4179.1-166.12.3113.7N7 V21 F23 E30 C116 Y117 R118N7-R120 PolarHBondContact ND2-O 3.23Å; N7-R120 VanDerWaalsContact ND2-O 3.09Å; V21-R120 HydrophobicContact CG1-CB 4.34Å; V21-R120 WeakPolarHBondContact O-CD 3.44Å; V21-R120 PolarHBondContact O-NH1 2.85Å; F23-R120 PolarHBondContact O-NH1 3.21Å; F23-R120 PolarHBondContact O-NH2 3.09Å; E30-R120 WeakPolarHBondContact OE1-CG 3.48Å; E30-R120 IonicContact OE1-CZ 3.75Å; E30-R120 IonicContact OE1-NE 3.04Å; E30-R120 PolarHBondContact OE1-NE 3.3Å; E30-R120 IonicContact OE1-NH2 3.83Å; E30-R120 IonicContact OE2-CZ 3.42Å; E30-R120 IonicContact OE2-NE 3.36Å; E30-R120 PolarHBondContact OE2-NE 3.45Å; E30-R120 IonicContact OE2-NH2 2.82Å; E30-R120 PolarHBondContact OE2-NH2 3.1Å; C116-R120 PolarHBondContact O-N 2.87Å; Y117-R120 PolarHBondContact O-N 2.89Å; R118-R120 VanDerWaalsContact C-N 3.34Å
121Y85.8Confident89Confident24 Ų2436.6 Ų36.69%0.09417%0.171CC..THydrogen-bonded Turntrans-97-3.6178.8-68.2-83.5000113.9V21 Y117 R118 L119 K123 F178 V180 K181 P182V21-Y121 HydrophobicContact CG1-CE2 4.43Å; Y117-Y121 HydrophobicContact CD2-CE2 4.02Å; Y117-Y121 HydrophobicContact CE1-CD2 4.47Å; Y117-Y121 HydrophobicContact CE1-CE2 4.2Å; Y117-Y121 HydrophobicContact CE2-CD2 4.43Å; Y117-Y121 AromaticContact CE2-CE2 3.55Å; Y117-Y121 HydrophobicContact CE2-CE2 3.55Å; Y117-Y121 AromaticContact CZ-CE2 3.66Å; Y117-Y121 VanDerWaalsContact O-CD2 3.29Å; Y117-Y121 WeakPolarHBondContact O-CD2 3.32Å; R118-Y121 PolarHBondContact O-N 2.86Å; L119-Y121 PolarHBondContact O-N 2.64Å; Y121-K123 PolarHBondContact O-N 3.31Å; Y121-F178 HydrophobicContact CE1-CB 4Å; Y121-V180 VanDerWaalsContact CE1-O 3.24Å; Y121-V180 WeakPolarHBondContact CE1-O 3.49Å; Y121-K181 HydrophobicContact CD1-CB 4.28Å; Y121-K181 HydrophobicContact CD2-CB 4.45Å; Y121-K181 HydrophobicContact CD2-CG 4.24Å; Y121-K181 HydrophobicContact CG-CB 4.13Å; Y121-K181 HydrophobicContact CG-CG 4.39Å; Y121-P182 WeakPolarHBondContact OH-CD 3.5Å
122N87.8Confident89.3Confident64 Ų6434.7 Ų34.734%0.34216%0.158SC..  trans-81.187.2180-170.2-8.6000111.7R118 L119 K124 Q125 L126R118-N122 PolarHBondContact O-N 3.07Å; L119-N122 PolarHBondContact O-N 2.95Å; L119-N122 VanDerWaalsContact O-N 3.14Å; N122-K124 PolarHBondContact O-N 3.32Å; N122-Q125 HydrophobicContact CB-CB 4.09Å; N122-Q125 WeakPolarHBondContact ND2-CB 3.47Å; N122-Q125 PolarHBondContact ND2-OE1 3.48Å; N122-Q125 PolarHBondContact O-N 3.48Å; N122-Q125 PolarHBondContact OD1-N 2.84Å; N122-L126 WeakPolarHBondContact O-CB 3.2Å; N122-L126 PolarHBondContact O-N 2.95Å
123K83.7Confident89.6Confident69 Ų6935.6 Ų35.630%0.317%0.166SC..Hα-helixtrans-55.7-47.5-176.8-57179.2-172.8166.60113.8Y121 Q125 L126 F127 W167 N179Y121-K123 PolarHBondContact O-N 3.31Å; K123-Q125 VanDerWaalsContact C-N 3.26Å; K123-Q125 PolarHBondContact O-N 2.99Å; K123-L126 PolarHBondContact O-N 3.01Å; K123-F127 VanDerWaalsContact O-CB 3.27Å; K123-F127 WeakPolarHBondContact O-CB 3.29Å; K123-F127 PolarHBondContact O-N 3.1Å; K123-W167 HydrophobicContact CB-CH2 4.06Å; K123-W167 HydrophobicContact CB-CZ2 3.81Å; K123-W167 HydrophobicContact CD-CZ2 4.46Å; K123-N179 WeakPolarHBondContact CE-O 3.33Å; K123-N179 PolarHBondContact NZ-O 3.12Å
124K87.3Confident89.9Confident76 Ų7639 Ų3933%0.3318%0.184SC..Hα-helixtrans-61.2-41-176.7-70.1-169.1179.7-1650110.5N122 I128 N163 W167N122-K124 PolarHBondContact O-N 3.32Å; K124-I128 WeakPolarHBondContact O-CD1 3.5Å; K124-I128 VanDerWaalsContact O-CG1 3.27Å; K124-I128 WeakPolarHBondContact O-CG1 3.07Å; K124-I128 PolarHBondContact O-N 3.09Å; K124-N163 PolarHBondContact NZ-O 3.11Å; K124-N163 PolarHBondContact O-ND2 2.83Å; K124-W167 HydrophobicContact CG-CD2 4.06Å; K124-W167 HydrophobicContact CG-CE3 4.45Å; K124-W167 HydrophobicContact CG-CG 4.49Å; K124-W167 HydrophobicContact CG-CZ2 4.18Å
125Q89.5Confident90.2Very high33 Ų3339 Ų3915%0.15418%0.184CC..Hα-helixtrans-71.7-46178.9-170.3164.99.100111.6H34 N122 K123 F127 I128 D129H34-Q125 PolarHBondContact CE1-NE2 2.91Å; H34-Q125 PolarHBondContact NE2-NE2 3.09Å; N122-Q125 HydrophobicContact CB-CB 4.09Å; N122-Q125 WeakPolarHBondContact ND2-CB 3.47Å; N122-Q125 PolarHBondContact ND2-OE1 3.48Å; N122-Q125 PolarHBondContact O-N 3.48Å; N122-Q125 PolarHBondContact OD1-N 2.84Å; K123-Q125 VanDerWaalsContact C-N 3.26Å; K123-Q125 PolarHBondContact O-N 2.99Å; Q125-F127 VanDerWaalsContact C-N 3.29Å; Q125-F127 PolarHBondContact O-N 3.37Å; Q125-I128 WeakPolarHBondContact O-CB 3.39Å; Q125-I128 PolarHBondContact O-N 3.08Å; Q125-I128 VanDerWaalsContact O-N 3.14Å; Q125-D129 VanDerWaalsContact O-CG 3.26Å; Q125-D129 PolarHBondContact O-N 3.36Å; Q125-D129 VanDerWaalsContact O-OD1 3.08Å
126L89.9Confident90.5Very high15 Ų1535.1 Ų35.18%0.07917%0.171CC..Hα-helixtrans-63.4-36179.8-16558.5000112.3F8 N122 K123 D129 R130F8-L126 HydrophobicContact CD2-CD1 3.61Å; F8-L126 HydrophobicContact CE2-CD1 4.27Å; F8-L126 HydrophobicContact CG-CD1 4.49Å; N122-L126 WeakPolarHBondContact O-CB 3.2Å; N122-L126 PolarHBondContact O-N 2.95Å; K123-L126 PolarHBondContact O-N 3.01Å; L126-D129 PolarHBondContact O-N 3.19Å; L126-R130 WeakPolarHBondContact O-CB 3.05Å; L126-R130 WeakPolarHBondContact O-CD 3.47Å; L126-R130 WeakPolarHBondContact O-CG 3.37Å; L126-R130 PolarHBondContact O-N 2.86Å
127F89.5Confident90.7Very high36 Ų3640.7 Ų40.716%0.15820%0.2CC..Hα-helixtrans-64.1-41.5173.8179.4-114.3000112.7K123 Q125 S131 T159 Y162 W167 M174K123-F127 VanDerWaalsContact O-CB 3.27Å; K123-F127 WeakPolarHBondContact O-CB 3.29Å; K123-F127 PolarHBondContact O-N 3.1Å; Q125-F127 VanDerWaalsContact C-N 3.29Å; Q125-F127 PolarHBondContact O-N 3.37Å; F127-S131 VanDerWaalsContact O-CB 3.32Å; F127-S131 WeakPolarHBondContact O-CB 3.49Å; F127-S131 PolarHBondContact O-N 3.35Å; F127-S131 PolarHBondContact O-OG 2.91Å; F127-T159 HydrophobicContact CD1-CG2 4.03Å; F127-T159 HydrophobicContact CE1-CG2 3.65Å; F127-T159 HydrophobicContact CZ-CG2 4.25Å; F127-Y162 HydrophobicContact CD1-CD1 4.4Å; F127-Y162 AromaticContact CE1-CD1 3.68Å; F127-Y162 HydrophobicContact CE1-CD1 3.68Å; F127-Y162 HydrophobicContact CE1-CE1 4.12Å; F127-Y162 HydrophobicContact CE1-CG 4.42Å; F127-Y162 HydrophobicContact CZ-CD1 4.31Å; F127-Y162 HydrophobicContact CZ-CE1 4.46Å; F127-W167 HydrophobicContact CB-CZ3 4.31Å; F127-W167 HydrophobicContact CD1-CZ3 4.05Å; F127-W167 HydrophobicContact CG-CZ3 4.2Å; F127-M174 HydrophobicContact CD2-CE 3.57Å; F127-M174 HydrophobicContact CE2-CE 3.43Å; F127-M174 VanDerWaalsContact CE2-CE 3.43Å
128I92.3Very high91.1Very high26 Ų2644.2 Ų44.213%0.13322%0.219CC..Hα-helixtrans-60.8-54.4173.8-65.8165.3000109.3K124 Q125 R130 S131 C132 L156 N163K124-I128 WeakPolarHBondContact O-CD1 3.5Å; K124-I128 VanDerWaalsContact O-CG1 3.27Å; K124-I128 WeakPolarHBondContact O-CG1 3.07Å; K124-I128 PolarHBondContact O-N 3.09Å; Q125-I128 WeakPolarHBondContact O-CB 3.39Å; Q125-I128 PolarHBondContact O-N 3.08Å; Q125-I128 VanDerWaalsContact O-N 3.14Å; I128-R130 VanDerWaalsContact C-N 3.32Å; I128-R130 PolarHBondContact O-N 2.78Å; I128-S131 PolarHBondContact O-N 3.18Å; I128-C132 PolarHBondContact O-N 3.31Å; I128-C132 PolarHBondContact O-SG 3.3Å; I128-L156 HydrophobicContact CG2-CD2 3.78Å; I128-N163 WeakPolarHBondContact CD1-ND2 3.39Å; I128-N163 WeakPolarHBondContact CG1-ND2 3.28Å
129D93.4Very high91.4Very high6 Ų640 Ų403%0.03221%0.206CC..Hα-helixtrans-59.5-43-173.9-59.6-0.1000111.5F8 F37 K38 E41 Q125 L126 C132 A133F8-D129 HydrophobicContact CE2-CB 3.73Å; F8-D129 HydrophobicContact CZ-CB 4.39Å; F37-D129 HydrophobicContact CD1-CB 4.37Å; K38-D129 WeakPolarHBondContact CE-OD1 3.4Å; K38-D129 IonicContact NZ-OD1 2.6Å; K38-D129 PolarHBondContact NZ-OD1 3.07Å; E41-D129 WeakPolarHBondContact OE1-CA 3.4Å; Q125-D129 VanDerWaalsContact O-CG 3.26Å; Q125-D129 PolarHBondContact O-N 3.36Å; Q125-D129 VanDerWaalsContact O-OD1 3.08Å; L126-D129 PolarHBondContact O-N 3.19Å; D129-C132 PolarHBondContact O-N 2.79Å; D129-A133 WeakPolarHBondContact O-CB 3.34Å; D129-A133 PolarHBondContact O-N 2.83Å
130R92.8Very high91.6Very high27 Ų2744.3 Ų44.310%0.10222%0.224CC..Hα-helixtrans-62.7-43.7174.8-72.7168.9-177.5162.53.9112.4N7 F8 L126 I128 A133 L134 D176N7-R130 PolarHBondContact O-NH2 3.21Å; F8-R130 HydrophobicContact CD2-CG 4.41Å; F8-R130 HydrophobicContact CE1-CG 4.47Å; F8-R130 HydrophobicContact CE2-CG 4.12Å; F8-R130 HydrophobicContact CZ-CG 4.15Å; F8-R130 WeakPolarHBondContact O-CD 3.24Å; F8-R130 WeakPolarHBondContact O-CG 3.32Å; F8-R130 PolarHBondContact O-NE 3.32Å; L126-R130 WeakPolarHBondContact O-CB 3.05Å; L126-R130 WeakPolarHBondContact O-CD 3.47Å; L126-R130 WeakPolarHBondContact O-CG 3.37Å; L126-R130 PolarHBondContact O-N 2.86Å; I128-R130 VanDerWaalsContact C-N 3.32Å; I128-R130 PolarHBondContact O-N 2.78Å; R130-A133 PolarHBondContact O-N 3.33Å; R130-L134 VanDerWaalsContact O-CB 3.3Å; R130-L134 WeakPolarHBondContact O-CB 3.4Å; R130-L134 PolarHBondContact O-N 2.64Å; R130-D176 IonicContact CZ-OD1 3.53Å; R130-D176 IonicContact NH1-OD1 3.23Å; R130-D176 PolarHBondContact NH1-OD1 3.29Å; R130-D176 IonicContact NH1-OD2 2.79Å; R130-D176 IonicContact NH2-OD1 3.07Å; R130-D176 PolarHBondContact NH2-OD1 3.22Å
131S93.2Very high91.9Very high19 Ų1948.3 Ų48.313%0.13325%0.254CS..Hα-helixtrans-66.7-41.6-179.6-59.40000111.1F127 I128 L134 L135 T159F127-S131 VanDerWaalsContact O-CB 3.32Å; F127-S131 WeakPolarHBondContact O-CB 3.49Å; F127-S131 PolarHBondContact O-N 3.35Å; F127-S131 PolarHBondContact O-OG 2.91Å; I128-S131 PolarHBondContact O-N 3.18Å; S131-L134 PolarHBondContact O-N 3.27Å; S131-L135 WeakPolarHBondContact O-CB 3.41Å; S131-L135 WeakPolarHBondContact O-CG 3.44Å; S131-L135 PolarHBondContact O-N 3.45Å; S131-T159 VanDerWaalsContact CB-CG2 3.48Å; S131-T159 WeakPolarHBondContact OG-CG2 3.04Å
132C94.5Very high92.3Very high5 Ų553.7 Ų53.73%0.03428%0.284CS..Hα-helixtrans-61.7-46.5173.9-68.50000111.5E41 I128 D129 G136 A155E41-C132 HydrophobicContact CG-CB 4.17Å; E41-C132 WeakPolarHBondContact OE1-CB 3.41Å; E41-C132 PolarHBondContact OE1-SG 3.4Å; E41-C132 VanDerWaalsContact OE1-SG 3.4Å; I128-C132 PolarHBondContact O-N 3.31Å; I128-C132 PolarHBondContact O-SG 3.3Å; D129-C132 PolarHBondContact O-N 2.79Å; C132-G136 WeakPolarHBondContact O-CA 3.48Å; C132-G136 PolarHBondContact O-N 3.32Å; C132-A155 HydrophobicContact CB-CB 4.44Å
133A93.8Very high92.4Very high26 Ų2658.8 Ų58.822%0.21530%0.303CS..Hα-helixtrans-60-49.7176.600000111.4F8 F37 D129 R130 L137F8-A133 HydrophobicContact CE1-CB 4.44Å; F8-A133 HydrophobicContact CZ-CB 4.17Å; F37-A133 HydrophobicContact CE1-CB 4.13Å; D129-A133 WeakPolarHBondContact O-CB 3.34Å; D129-A133 PolarHBondContact O-N 2.83Å; R130-A133 PolarHBondContact O-N 3.33Å; A133-L137 WeakPolarHBondContact O-CB 3.42Å; A133-L137 WeakPolarHBondContact O-CG 3.19Å; A133-L137 PolarHBondContact O-N 3.25Å
134L94.3Very high92.6Very high107 Ų10756.9 Ų56.956%0.5630%0.303SS*.Hα-helixtrans-65.5-52.8-177-178.264.1000112R130 S131 G136 L137 I138R130-L134 VanDerWaalsContact O-CB 3.3Å; R130-L134 WeakPolarHBondContact O-CB 3.4Å; R130-L134 PolarHBondContact O-N 2.64Å; S131-L134 PolarHBondContact O-N 3.27Å; L134-G136 VanDerWaalsContact C-N 3.32Å; L134-G136 PolarHBondContact O-N 2.91Å; L134-L137 PolarHBondContact O-N 3.45Å; L134-I138 HydrophobicContact CD1-CD1 4.01Å; L134-I138 HydrophobicContact CG-CD1 3.93Å; L134-I138 VanDerWaalsContact O-CG1 3.31Å; L134-I138 WeakPolarHBondContact O-CG1 3.19Å; L134-I138 PolarHBondContact O-N 2.89Å
135L95.7Very high92.6Very high64 Ų6454.2 Ų54.234%0.33530%0.295SS..Hα-helixtrans-70.4-30.8-179.5-68.4178.6000112S131 I138 G139 G151 A155S131-L135 WeakPolarHBondContact O-CB 3.41Å; S131-L135 WeakPolarHBondContact O-CG 3.44Å; S131-L135 PolarHBondContact O-N 3.45Å; L135-I138 HydrophobicContact CD2-CD1 4.48Å; L135-G139 WeakPolarHBondContact O-CA 3.36Å; L135-G139 PolarHBondContact O-N 2.98Å; L135-G151 WeakPolarHBondContact CB-O 3.23Å; L135-A155 HydrophobicContact CB-CB 4.13Å; L135-A155 HydrophobicContact CD1-CB 3.62Å; L135-A155 HydrophobicContact CG-CB 4.35Å
136G94.2Very high92.5Very high5 Ų556.2 Ų56.25%0.05230%0.303CS..Hα-helixtrans-61.5-46.3170.200000112C132 L134 G139 F140 M148C132-G136 WeakPolarHBondContact O-CA 3.48Å; C132-G136 PolarHBondContact O-N 3.32Å; L134-G136 VanDerWaalsContact C-N 3.32Å; L134-G136 PolarHBondContact O-N 2.91Å; G136-G139 PolarHBondContact O-N 3.01Å; G136-F140 WeakPolarHBondContact O-CB 3.22Å; G136-F140 PolarHBondContact O-N 3.33Å; G136-M148 WeakPolarHBondContact O-CA 3.37Å
137L94.4Very high92.5Very high116 Ų11655.8 Ų55.861%0.60730%0.303SS*.Hα-helixtrans-67.1-44.2177.3-73.9171.5000112.7A133 L134 G139 F140 S141A133-L137 WeakPolarHBondContact O-CB 3.42Å; A133-L137 WeakPolarHBondContact O-CG 3.19Å; A133-L137 PolarHBondContact O-N 3.25Å; L134-L137 PolarHBondContact O-N 3.45Å; L137-G139 VanDerWaalsContact C-N 3.34Å; L137-F140 PolarHBondContact O-N 3.21Å; L137-S141 WeakPolarHBondContact O-CB 3.48Å; L137-S141 PolarHBondContact O-N 3.05Å; L137-S141 PolarHBondContact O-OG 3.39Å
138I96.8Very high92.6Very high78 Ų7855.6 Ų55.640%0.430%0.302SS..Hα-helixtrans-61.6-46.9175.5-69.4168.5000109.7L134 L135 F140 S141 L142L134-I138 HydrophobicContact CD1-CD1 4.01Å; L134-I138 HydrophobicContact CG-CD1 3.93Å; L134-I138 VanDerWaalsContact O-CG1 3.31Å; L134-I138 WeakPolarHBondContact O-CG1 3.19Å; L134-I138 PolarHBondContact O-N 2.89Å; L135-I138 HydrophobicContact CD2-CD1 4.48Å; I138-F140 VanDerWaalsContact C-N 3.34Å; I138-F140 PolarHBondContact O-N 2.85Å; I138-S141 PolarHBondContact O-N 3.14Å; I138-L142 HydrophobicContact CG2-CD1 3.92Å; I138-L142 WeakPolarHBondContact O-CG 3.36Å; I138-L142 PolarHBondContact O-N 2.87Å
139G93.9Very high92.5Very high10 Ų1054.5 Ų54.510%0.10330%0.297CS..Hα-helixtrans-58.9-45.3176.700000112.1L135 G136 L137 S141 L142 K143 G147L135-G139 WeakPolarHBondContact O-CA 3.36Å; L135-G139 PolarHBondContact O-N 2.98Å; G136-G139 PolarHBondContact O-N 3.01Å; L137-G139 VanDerWaalsContact C-N 3.34Å; G139-S141 VanDerWaalsContact C-N 3.32Å; G139-S141 PolarHBondContact O-N 3.47Å; G139-L142 PolarHBondContact O-N 3.45Å; G139-K143 PolarHBondContact O-N 3.19Å; G139-G147 VanDerWaalsContact CA-C 3.41Å; G139-G147 VanDerWaalsContact CA-O 3.28Å; G139-G147 WeakPolarHBondContact CA-O 3.44Å; G139-G147 CarbonylContact O-C 3.46Å; G139-G147 VanDerWaalsContact O-CA 3.24Å; G139-G147 WeakPolarHBondContact O-CA 3.49Å
140F93.1Very high92.4Very high110 Ų11061.4 Ų61.448%0.48233%0.327SS..Hα-helixtrans-58.4-45.6175.4-174-99000111.7G136 L137 I138 L142 G144 M148G136-F140 WeakPolarHBondContact O-CB 3.22Å; G136-F140 PolarHBondContact O-N 3.33Å; L137-F140 PolarHBondContact O-N 3.21Å; I138-F140 VanDerWaalsContact C-N 3.34Å; I138-F140 PolarHBondContact O-N 2.85Å; F140-L142 VanDerWaalsContact C-N 3.29Å; F140-L142 PolarHBondContact O-N 3.24Å; F140-G144 WeakPolarHBondContact CA-O 3.29Å; F140-G144 WeakPolarHBondContact O-CA 3.43Å; F140-G144 PolarHBondContact O-N 2.89Å; F140-M148 HydrophobicContact CB-CB 3.99Å; F140-M148 HydrophobicContact CB-CG 4.45Å; F140-M148 HydrophobicContact CD2-CB 4.23Å; F140-M148 HydrophobicContact CD2-SD 4.44Å
141S94.6Very high92.5Very high99 Ų9960.5 Ų60.569%0.69233%0.326SS*.Hα-helixtrans-63.9-34.2-179-560000112.5L137 I138 G139L137-S141 WeakPolarHBondContact O-CB 3.48Å; L137-S141 PolarHBondContact O-N 3.05Å; L137-S141 PolarHBondContact O-OG 3.39Å; I138-S141 PolarHBondContact O-N 3.14Å; G139-S141 VanDerWaalsContact C-N 3.32Å; G139-S141 PolarHBondContact O-N 3.47Å
142L93.7Very high92.6Very high136 Ų13660.5 Ų60.571%0.71233%0.325SS*.Hα-helixtrans-84.6-41.1-176.8-67.5173.8000114.2I138 G139 F140I138-L142 HydrophobicContact CG2-CD1 3.92Å; I138-L142 WeakPolarHBondContact O-CG 3.36Å; I138-L142 PolarHBondContact O-N 2.87Å; G139-L142 PolarHBondContact O-N 3.45Å; F140-L142 VanDerWaalsContact C-N 3.29Å; F140-L142 PolarHBondContact O-N 3.24Å
143K89.9Confident92.6Very high171 Ų17161.5 Ų61.574%0.74333%0.329SS*.Hα-helixtrans-135.520.5-171.8-65.2-175.9179.1175.10113.3G139G139-K143 PolarHBondContact O-N 3.19Å
144G88.6Confident92.6Very high29 Ų2961.9 Ų61.930%0.29933%0.332SS..Hα-helixtrans58.5-151.7-172.500000111.3F140 K146 G147 M148F140-G144 WeakPolarHBondContact CA-O 3.29Å; F140-G144 WeakPolarHBondContact O-CA 3.43Å; F140-G144 PolarHBondContact O-N 2.89Å; G144-K146 PolarHBondContact O-N 2.85Å; G144-K146 VanDerWaalsContact O-N 3.08Å; G144-G147 WeakPolarHBondContact O-CA 3.32Å; G144-G147 PolarHBondContact O-N 2.95Å; G144-M148 PolarHBondContact O-N 3.2Å; G144-M148 VanDerWaalsContact O-N 3.09Å
145A86.8Confident92.7Very high21 Ų2156.8 Ų56.817%0.17431%0.306CS..Hα-helixtrans-59.6-26.7-173.800000116I84 G147 M148 V149I84-A145 HydrophobicContact CD1-CB 3.28Å; I84-A145 HydrophobicContact CG1-CB 3.41Å; I84-A145 VanDerWaalsContact CG1-CB 3.41Å; A145-G147 VanDerWaalsContact C-N 3.35Å; A145-M148 WeakPolarHBondContact O-CB 3.48Å; A145-M148 PolarHBondContact O-N 2.93Å; A145-V149 WeakPolarHBondContact O-CG2 3.25Å; A145-V149 PolarHBondContact O-N 3.5Å
146K86.6Confident92.7Very high75 Ų7554.5 Ų54.533%0.32629%0.294SS..Hα-helixtrans-65.1-42.7172.3-66.9-173.8-179.7175.70111.7R76 S80 G144 M148 V149 F150R76-K146 WeakPolarHBondContact O-CE 3.22Å; R76-K146 PolarHBondContact O-NZ 3.11Å; S80-K146 VanDerWaalsContact OG-CE 3.22Å; S80-K146 WeakPolarHBondContact OG-CE 3.48Å; S80-K146 WeakPolarHBondContact OG-CG 3.45Å; G144-K146 PolarHBondContact O-N 2.85Å; G144-K146 VanDerWaalsContact O-N 3.08Å; K146-M148 VanDerWaalsContact C-N 3.3Å; K146-V149 PolarHBondContact O-N 2.87Å; K146-F150 WeakPolarHBondContact O-CB 3.42Å; K146-F150 PolarHBondContact O-N 3.45Å; K146-F150 VanDerWaalsContact O-N 3.09Å
147G90.5Very high92.7Very high6 Ų658.3 Ų58.36%0.06232%0.316CS..Hα-helixtrans-65.8-36.5176.600000111.4G139 G144 A145 F150 G151G139-G147 VanDerWaalsContact CA-C 3.41Å; G139-G147 VanDerWaalsContact CA-O 3.28Å; G139-G147 WeakPolarHBondContact CA-O 3.44Å; G139-G147 CarbonylContact O-C 3.46Å; G139-G147 VanDerWaalsContact O-CA 3.24Å; G139-G147 WeakPolarHBondContact O-CA 3.49Å; G144-G147 WeakPolarHBondContact O-CA 3.32Å; G144-G147 PolarHBondContact O-N 2.95Å; A145-G147 VanDerWaalsContact C-N 3.35Å; G147-F150 PolarHBondContact O-N 2.85Å; G147-G151 PolarHBondContact O-N 3.28Å
148M91.7Very high92.6Very high31 Ų3157 Ų5715%0.15331%0.313CS..Hα-helixtrans-56.2-52.1174.2-174.8-17472.300112T87 G136 F140 G144 A145 K146 G151 I152T87-M148 HydrophobicContact CG2-CE 3.91Å; G136-M148 WeakPolarHBondContact O-CA 3.37Å; F140-M148 HydrophobicContact CB-CB 3.99Å; F140-M148 HydrophobicContact CB-CG 4.45Å; F140-M148 HydrophobicContact CD2-CB 4.23Å; F140-M148 HydrophobicContact CD2-SD 4.44Å; G144-M148 PolarHBondContact O-N 3.2Å; G144-M148 VanDerWaalsContact O-N 3.09Å; A145-M148 WeakPolarHBondContact O-CB 3.48Å; A145-M148 PolarHBondContact O-N 2.93Å; K146-M148 VanDerWaalsContact C-N 3.3Å; M148-G151 PolarHBondContact O-N 3.28Å; M148-I152 HydrophobicContact CG-CD1 4.02Å; M148-I152 WeakPolarHBondContact O-CG1 3.41Å; M148-I152 PolarHBondContact O-N 2.82Å
149V90.9Very high92.4Very high4 Ų453.6 Ų53.62%0.02430%0.296CS..Hα-helixtrans-61.1-48.1179.5171.10000110.8T44 L83 A145 K146 G151 I152 D153T44-V149 HydrophobicContact CG2-CB 4.12Å; T44-V149 HydrophobicContact CG2-CG1 3.72Å; T44-V149 HydrophobicContact CG2-CG2 4.14Å; L83-V149 HydrophobicContact CB-CG1 4.4Å; L83-V149 HydrophobicContact CB-CG2 3.96Å; L83-V149 HydrophobicContact CD1-CB 4.45Å; L83-V149 HydrophobicContact CD1-CG1 3.99Å; L83-V149 HydrophobicContact CD2-CG1 4.45Å; A145-V149 WeakPolarHBondContact O-CG2 3.25Å; A145-V149 PolarHBondContact O-N 3.5Å; K146-V149 PolarHBondContact O-N 2.87Å; V149-G151 VanDerWaalsContact C-N 3.27Å; V149-G151 PolarHBondContact O-N 3.41Å; V149-I152 PolarHBondContact O-N 3.24Å; V149-D153 PolarHBondContact O-N 3.39Å
150F91.5Very high92.3Very high151 Ų15157.6 Ų57.666%0.66231%0.314SS*.Hα-helixtrans-60.1-38.6176.8-176.3-97.9000112.5K146 G147 A154K146-F150 WeakPolarHBondContact O-CB 3.42Å; K146-F150 PolarHBondContact O-N 3.45Å; K146-F150 VanDerWaalsContact O-N 3.09Å; G147-F150 PolarHBondContact O-N 2.85Å; F150-A154 VanDerWaalsContact O-CB 3.23Å; F150-A154 WeakPolarHBondContact O-CB 3.29Å; F150-A154 PolarHBondContact O-N 3.08Å
151G94.7Very high92.2Very high8 Ų857.8 Ų57.88%0.08232%0.315CS..Hα-helixtrans-65.1-45.1176.600000112.4L135 G147 M148 V149 A155L135-G151 WeakPolarHBondContact CB-O 3.23Å; G147-G151 PolarHBondContact O-N 3.28Å; M148-G151 PolarHBondContact O-N 3.28Å; V149-G151 VanDerWaalsContact C-N 3.27Å; V149-G151 PolarHBondContact O-N 3.41Å; G151-A155 WeakPolarHBondContact O-CB 3.22Å; G151-A155 PolarHBondContact O-N 3.1Å
152I94.7Very high91.9Very high19 Ų1955.1 Ų55.110%0.09729%0.29CS..Hα-helixtrans-63.1-45.9175.5-67.5166.7000110.5T44 M148 V149 A154 A155 L156T44-I152 HydrophobicContact CG2-CB 4.05Å; T44-I152 HydrophobicContact CG2-CD1 4.29Å; T44-I152 HydrophobicContact CG2-CG2 3.9Å; M148-I152 HydrophobicContact CG-CD1 4.02Å; M148-I152 WeakPolarHBondContact O-CG1 3.41Å; M148-I152 PolarHBondContact O-N 2.82Å; V149-I152 PolarHBondContact O-N 3.24Å; I152-A154 PolarHBondContact O-N 3.3Å; I152-A155 WeakPolarHBondContact O-CB 3.47Å; I152-A155 PolarHBondContact O-N 3.45Å; I152-L156 HydrophobicContact CG2-CD1 4.01Å; I152-L156 HydrophobicContact CG2-CG 4.4Å; I152-L156 WeakPolarHBondContact O-CG 3.13Å; I152-L156 PolarHBondContact O-N 2.79Å
153D93.6Very high91.6Very high25 Ų2549.3 Ų49.313%0.13426%0.259CS..Hα-helixtrans-63-45.1179.1-70.6-26.3000111.8F45 S48 V149 A155 L156 V157F45-D153 WeakPolarHBondContact CA-OD1 3.26Å; S48-D153 WeakPolarHBondContact CB-OD2 3.12Å; S48-D153 PolarHBondContact OG-OD1 3.12Å; S48-D153 VanDerWaalsContact OG-OD1 3.07Å; S48-D153 PolarHBondContact OG-OD2 3.41Å; V149-D153 PolarHBondContact O-N 3.39Å; D153-A155 VanDerWaalsContact C-N 3.29Å; D153-A155 PolarHBondContact O-N 3.21Å; D153-L156 PolarHBondContact O-N 3.02Å; D153-V157 WeakPolarHBondContact O-CG2 3.49Å; D153-V157 PolarHBondContact O-N 2.93Å
154A95.1Very high91.5Very high34 Ų3447.6 Ų47.628%0.28125%0.254SS..Hα-helixtrans-61.3-40175.400000111.4F150 I152 T158F150-A154 VanDerWaalsContact O-CB 3.23Å; F150-A154 WeakPolarHBondContact O-CB 3.29Å; F150-A154 PolarHBondContact O-N 3.08Å; I152-A154 PolarHBondContact O-N 3.3Å; A154-T158 WeakPolarHBondContact O-CB 3.31Å; A154-T158 PolarHBondContact O-N 3.42Å; A154-T158 PolarHBondContact O-OG1 3.21Å
155A95.6Very high91.5Very high1 Ų150.7 Ų50.71%0.00826%0.259CS..Hα-helixtrans-61.1-51.7174.400000111.3C132 L135 G151 I152 D153 V157 T158 T159C132-A155 HydrophobicContact CB-CB 4.44Å; L135-A155 HydrophobicContact CB-CB 4.13Å; L135-A155 HydrophobicContact CD1-CB 3.62Å; L135-A155 HydrophobicContact CG-CB 4.35Å; G151-A155 WeakPolarHBondContact O-CB 3.22Å; G151-A155 PolarHBondContact O-N 3.1Å; I152-A155 WeakPolarHBondContact O-CB 3.47Å; I152-A155 PolarHBondContact O-N 3.45Å; D153-A155 VanDerWaalsContact C-N 3.29Å; D153-A155 PolarHBondContact O-N 3.21Å; A155-V157 PolarHBondContact O-N 2.96Å; A155-T158 PolarHBondContact O-N 3.44Å; A155-T159 VanDerWaalsContact O-CB 3.29Å; A155-T159 WeakPolarHBondContact O-CB 3.21Å; A155-T159 VanDerWaalsContact O-CG2 3.26Å; A155-T159 WeakPolarHBondContact O-CG2 3.49Å; A155-T159 PolarHBondContact O-N 3.1Å; A155-T159 PolarHBondContact O-OG1 3.47Å
156L94.8Very high91.4Very high15 Ų1552.3 Ų52.38%0.07927%0.265CS..Hα-helixtrans-59-51-179.1-74.9172.6000111.3E41 F45 I128 I152 D153 T158 T159 I160E41-L156 HydrophobicContact CB-CD1 4.27Å; E41-L156 HydrophobicContact CB-CD2 4.28Å; E41-L156 HydrophobicContact CG-CD2 4.41Å; F45-L156 HydrophobicContact CB-CD1 3.86Å; F45-L156 HydrophobicContact CD2-CD1 4.26Å; F45-L156 HydrophobicContact CG-CD1 4.38Å; I128-L156 HydrophobicContact CG2-CD2 3.78Å; I152-L156 HydrophobicContact CG2-CD1 4.01Å; I152-L156 HydrophobicContact CG2-CG 4.4Å; I152-L156 WeakPolarHBondContact O-CG 3.13Å; I152-L156 PolarHBondContact O-N 2.79Å; D153-L156 PolarHBondContact O-N 3.02Å; L156-T158 PolarHBondContact O-N 3.31Å; L156-T159 PolarHBondContact O-N 3.23Å; L156-T159 PolarHBondContact O-OG1 3.5Å; L156-I160 HydrophobicContact CB-CD1 4.45Å; L156-I160 WeakPolarHBondContact O-CB 3.33Å; L156-I160 WeakPolarHBondContact O-CD1 3.33Å; L156-I160 WeakPolarHBondContact O-CG1 3.21Å; L156-I160 PolarHBondContact O-N 2.79Å
157V94.3Very high91.1Very high86 Ų8650.5 Ų50.552%0.52126%0.256SS..Hα-helixtrans-59.9-48.2179173.60000111F45 D153 A155 F161F45-V157 HydrophobicContact CE2-CG2 4.42Å; D153-V157 WeakPolarHBondContact O-CG2 3.49Å; D153-V157 PolarHBondContact O-N 2.93Å; A155-V157 PolarHBondContact O-N 2.96Å; V157-F161 VanDerWaalsContact O-CB 3.24Å; V157-F161 WeakPolarHBondContact O-CB 3.45Å; V157-F161 PolarHBondContact O-N 2.88Å
158T93.1Very high90.6Very high89 Ų8956.7 Ų56.755%0.54629%0.287SS..Hα-helixtrans-66.1-45-176.9-55.50000111.4A154 A155 L156 Y162A154-T158 WeakPolarHBondContact O-CB 3.31Å; A154-T158 PolarHBondContact O-N 3.42Å; A154-T158 PolarHBondContact O-OG1 3.21Å; A155-T158 PolarHBondContact O-N 3.44Å; L156-T158 PolarHBondContact O-N 3.31Å; T158-Y162 WeakPolarHBondContact O-CB 3.2Å; T158-Y162 PolarHBondContact O-N 3.44Å
159T92.4Very high90Very high5 Ų564.6 Ų64.63%0.03132%0.316CS..Hα-helixtrans-73.4-36-17855.90000112.7F127 S131 A155 L156 Y162 N163F127-T159 HydrophobicContact CD1-CG2 4.03Å; F127-T159 HydrophobicContact CE1-CG2 3.65Å; F127-T159 HydrophobicContact CZ-CG2 4.25Å; S131-T159 VanDerWaalsContact CB-CG2 3.48Å; S131-T159 WeakPolarHBondContact OG-CG2 3.04Å; A155-T159 VanDerWaalsContact O-CB 3.29Å; A155-T159 WeakPolarHBondContact O-CB 3.21Å; A155-T159 VanDerWaalsContact O-CG2 3.26Å; A155-T159 WeakPolarHBondContact O-CG2 3.49Å; A155-T159 PolarHBondContact O-N 3.1Å; A155-T159 PolarHBondContact O-OG1 3.47Å; L156-T159 PolarHBondContact O-N 3.23Å; L156-T159 PolarHBondContact O-OG1 3.5Å; T159-Y162 PolarHBondContact O-N 3.2Å; T159-N163 WeakPolarHBondContact O-CB 3.42Å; T159-N163 PolarHBondContact O-N 3.35Å; T159-N163 PolarHBondContact O-ND2 3.18Å
160I91.5Very high89Confident95 Ų9568.4 Ų68.449%0.48734%0.336SS..Hα-helixtrans-63.9-48.1172.8-70.4167.2000109.7L156 Y162 N163 H164L156-I160 HydrophobicContact CB-CD1 4.45Å; L156-I160 WeakPolarHBondContact O-CB 3.33Å; L156-I160 WeakPolarHBondContact O-CD1 3.33Å; L156-I160 WeakPolarHBondContact O-CG1 3.21Å; L156-I160 PolarHBondContact O-N 2.79Å; I160-Y162 PolarHBondContact O-N 3.38Å; I160-N163 PolarHBondContact O-N 3.49Å; I160-H164 VanDerWaalsContact O-CB 3.28Å; I160-H164 WeakPolarHBondContact O-CB 3.28Å; I160-H164 PolarHBondContact O-N 2.92Å
161F91.7Very high87.6Confident113 Ų11366.4 Ų66.450%0.49633%0.332SS..Hα-helixtrans-59.5-47.6176.9-178.1-92.6000111.4V157 H164 F165 L166V157-F161 VanDerWaalsContact O-CB 3.24Å; V157-F161 WeakPolarHBondContact O-CB 3.45Å; V157-F161 PolarHBondContact O-N 2.88Å; F161-H164 PolarHBondContact O-N 3.01Å; F161-F165 HydrophobicContact CD1-CD2 4.49Å; F161-F165 AromaticContact CD2-CD2 3.4Å; F161-F165 HydrophobicContact CD2-CD2 3.4Å; F161-F165 VanDerWaalsContact CD2-CD2 3.4Å; F161-F165 AromaticContact CD2-CE2 3.6Å; F161-F165 HydrophobicContact CD2-CE2 3.6Å; F161-F165 HydrophobicContact CE1-CD2 4.46Å; F161-F165 AromaticContact CE2-CD2 3.36Å; F161-F165 HydrophobicContact CE2-CD2 3.36Å; F161-F165 AromaticContact CE2-CE2 3.58Å; F161-F165 HydrophobicContact CE2-CE2 3.58Å; F161-F165 HydrophobicContact CE2-CG 4.24Å; F161-F165 AromaticContact CG-CD2 4Å; F161-F165 HydrophobicContact CG-CD2 4Å; F161-F165 AromaticContact CZ-CD2 3.92Å; F161-F165 HydrophobicContact CZ-CD2 3.92Å; F161-F165 HydrophobicContact CZ-CG 4.43Å; F161-F165 WeakPolarHBondContact O-CD2 3.41Å; F161-F165 PolarHBondContact O-N 2.84Å; F161-L166 HydrophobicContact CE1-CD1 4.37Å
162Y88.7Confident86Confident43 Ų4367.6 Ų67.617%0.16934%0.338CS..Iπ-helixtrans-59.9-48.1176.1-178.4-94.2000111.9F127 T158 T159 I160 H164 L166 W167 L170F127-Y162 HydrophobicContact CD1-CD1 4.4Å; F127-Y162 AromaticContact CE1-CD1 3.68Å; F127-Y162 HydrophobicContact CE1-CD1 3.68Å; F127-Y162 HydrophobicContact CE1-CE1 4.12Å; F127-Y162 HydrophobicContact CE1-CG 4.42Å; F127-Y162 HydrophobicContact CZ-CD1 4.31Å; F127-Y162 HydrophobicContact CZ-CE1 4.46Å; T158-Y162 WeakPolarHBondContact O-CB 3.2Å; T158-Y162 PolarHBondContact O-N 3.44Å; T159-Y162 PolarHBondContact O-N 3.2Å; I160-Y162 PolarHBondContact O-N 3.38Å; Y162-H164 VanDerWaalsContact C-N 3.25Å; Y162-H164 PolarHBondContact O-N 3.49Å; Y162-L166 HydrophobicContact CD2-CB 3.76Å; Y162-L166 HydrophobicContact CD2-CD1 3.84Å; Y162-L166 HydrophobicContact CD2-CG 4.43Å; Y162-L166 HydrophobicContact CE2-CB 4.02Å; Y162-L166 HydrophobicContact CE2-CD1 4.45Å; Y162-L166 HydrophobicContact CG-CB 4.3Å; Y162-L166 CarbonylContact O-C 3.59Å; Y162-L166 WeakPolarHBondContact O-CA 3.39Å; Y162-L166 WeakPolarHBondContact O-CB 3.37Å; Y162-L166 PolarHBondContact O-N 3.48Å; Y162-W167 AromaticContact CD1-CE3 3.92Å; Y162-W167 HydrophobicContact CD1-CE3 3.92Å; Y162-W167 HydrophobicContact CD1-CZ3 4.45Å; Y162-W167 AromaticContact CE1-CE3 3.55Å; Y162-W167 HydrophobicContact CE1-CE3 3.55Å; Y162-W167 AromaticContact CE1-CZ3 3.97Å; Y162-W167 HydrophobicContact CE1-CZ3 3.97Å; Y162-W167 PolarHBondContact O-N 3.11Å; Y162-L170 HydrophobicContact CE2-CD1 3.91Å
163N87.7Confident84.2Confident14 Ų1476.5 Ų76.58%0.07538%0.376CS..Iπ-helixtrans-64.4-29.8-178.2-77.3-8.3000113.4K124 I128 T159 I160 W167K124-N163 PolarHBondContact NZ-O 3.11Å; K124-N163 PolarHBondContact O-ND2 2.83Å; I128-N163 WeakPolarHBondContact CD1-ND2 3.39Å; I128-N163 WeakPolarHBondContact CG1-ND2 3.28Å; T159-N163 WeakPolarHBondContact O-CB 3.42Å; T159-N163 PolarHBondContact O-N 3.35Å; T159-N163 PolarHBondContact O-ND2 3.18Å; I160-N163 PolarHBondContact O-N 3.49Å; N163-W167 WeakPolarHBondContact O-CB 3.33Å
164H86.8Confident82.5Confident135 Ų13579.9 Ų79.963%0.62539%0.392SS*.Iπ-helixtrans-87.5-43.8-178.6-169.873.6000112.6I160 F161 Y162I160-H164 VanDerWaalsContact O-CB 3.28Å; I160-H164 WeakPolarHBondContact O-CB 3.28Å; I160-H164 PolarHBondContact O-N 2.92Å; F161-H164 PolarHBondContact O-N 3.01Å; Y162-H164 VanDerWaalsContact C-N 3.25Å; Y162-H164 PolarHBondContact O-N 3.49Å
165F88.1Confident81Confident95 Ų9585.1 Ų85.142%0.41741%0.409SS..Iπ-helixtrans-104-27.6-171.7-67.6-70.8000115F161 R169F161-F165 HydrophobicContact CD1-CD2 4.49Å; F161-F165 AromaticContact CD2-CD2 3.4Å; F161-F165 HydrophobicContact CD2-CD2 3.4Å; F161-F165 VanDerWaalsContact CD2-CD2 3.4Å; F161-F165 AromaticContact CD2-CE2 3.6Å; F161-F165 HydrophobicContact CD2-CE2 3.6Å; F161-F165 HydrophobicContact CE1-CD2 4.46Å; F161-F165 AromaticContact CE2-CD2 3.36Å; F161-F165 HydrophobicContact CE2-CD2 3.36Å; F161-F165 AromaticContact CE2-CE2 3.58Å; F161-F165 HydrophobicContact CE2-CE2 3.58Å; F161-F165 HydrophobicContact CE2-CG 4.24Å; F161-F165 AromaticContact CG-CD2 4Å; F161-F165 HydrophobicContact CG-CD2 4Å; F161-F165 AromaticContact CZ-CD2 3.92Å; F161-F165 HydrophobicContact CZ-CD2 3.92Å; F161-F165 HydrophobicContact CZ-CG 4.43Å; F161-F165 WeakPolarHBondContact O-CD2 3.41Å; F161-F165 PolarHBondContact O-N 2.84Å; F165-R169 PolarHBondContact O-NH1 3.02Å
166L85.8Confident79.6Confident55 Ų5585.8 Ų85.829%0.28841%0.412SS..Iπ-helixtrans-116.4-20.9-167.4-62.6178.8000113.4F161 Y162 D168 R169 L170F161-L166 HydrophobicContact CE1-CD1 4.37Å; Y162-L166 HydrophobicContact CD2-CB 3.76Å; Y162-L166 HydrophobicContact CD2-CD1 3.84Å; Y162-L166 HydrophobicContact CD2-CG 4.43Å; Y162-L166 HydrophobicContact CE2-CB 4.02Å; Y162-L166 HydrophobicContact CE2-CD1 4.45Å; Y162-L166 HydrophobicContact CG-CB 4.3Å; Y162-L166 CarbonylContact O-C 3.59Å; Y162-L166 WeakPolarHBondContact O-CA 3.39Å; Y162-L166 WeakPolarHBondContact O-CB 3.37Å; Y162-L166 PolarHBondContact O-N 3.48Å; L166-D168 VanDerWaalsContact C-N 3.33Å; L166-D168 PolarHBondContact O-N 2.7Å; L166-R169 PolarHBondContact O-N 3.2Å; L166-L170 HydrophobicContact CB-CD1 3.88Å; L166-L170 HydrophobicContact CB-CG 4.31Å; L166-L170 HydrophobicContact CD1-CD1 4.12Å; L166-L170 HydrophobicContact CD2-CD1 4.24Å; L166-L170 HydrophobicContact CG-CD1 4.3Å; L166-L170 WeakPolarHBondContact O-CB 3.31Å; L166-L170 PolarHBondContact O-N 2.86Å
167W80.6Confident78.3Confident37 Ų3790.1 Ų90.114%0.1443%0.427CS..THydrogen-bonded Turntrans-58.1-41.4-175.2-171.2-85.1000114K123 K124 F127 Y162 N163 R169 P172K123-W167 HydrophobicContact CB-CH2 4.06Å; K123-W167 HydrophobicContact CB-CZ2 3.81Å; K123-W167 HydrophobicContact CD-CZ2 4.46Å; K124-W167 HydrophobicContact CG-CD2 4.06Å; K124-W167 HydrophobicContact CG-CE3 4.45Å; K124-W167 HydrophobicContact CG-CG 4.49Å; K124-W167 HydrophobicContact CG-CZ2 4.18Å; F127-W167 HydrophobicContact CB-CZ3 4.31Å; F127-W167 HydrophobicContact CD1-CZ3 4.05Å; F127-W167 HydrophobicContact CG-CZ3 4.2Å; Y162-W167 AromaticContact CD1-CE3 3.92Å; Y162-W167 HydrophobicContact CD1-CE3 3.92Å; Y162-W167 HydrophobicContact CD1-CZ3 4.45Å; Y162-W167 AromaticContact CE1-CE3 3.55Å; Y162-W167 HydrophobicContact CE1-CE3 3.55Å; Y162-W167 AromaticContact CE1-CZ3 3.97Å; Y162-W167 HydrophobicContact CE1-CZ3 3.97Å; Y162-W167 PolarHBondContact O-N 3.11Å; N163-W167 WeakPolarHBondContact O-CB 3.33Å; W167-R169 VanDerWaalsContact C-N 3.33Å; W167-P172 HydrophobicContact CH2-CB 4.32Å; W167-P172 HydrophobicContact CZ2-CB 4.43Å
168D80.2Confident77.1Confident135 Ų13587.1 Ų87.172%0.72241%0.407SS*.THydrogen-bonded Turntrans-86.5-9.9-179.1-55-37.7000112L166L166-D168 VanDerWaalsContact C-N 3.33Å; L166-D168 PolarHBondContact O-N 2.7Å
169R77.5Confident75.7Confident197 Ų19787.6 Ų87.674%0.74341%0.407SS*.THydrogen-bonded Turntrans-104-29.1-176.6-66.7-174.5176.9146.1-6.8113.6F165 L166 W167F165-R169 PolarHBondContact O-NH1 3.02Å; L166-R169 PolarHBondContact O-N 3.2Å; W167-R169 VanDerWaalsContact C-N 3.33Å
170L70.7Confident74.5Confident85 Ų8592 Ų9245%0.44543%0.433SS..SBendtrans-108.4126.1177.9-63.5178.3000108Y162 L166 P172Y162-L170 HydrophobicContact CE2-CD1 3.91Å; L166-L170 HydrophobicContact CB-CD1 3.88Å; L166-L170 HydrophobicContact CB-CG 4.31Å; L166-L170 HydrophobicContact CD1-CD1 4.12Å; L166-L170 HydrophobicContact CD2-CD1 4.24Å; L166-L170 HydrophobicContact CG-CD1 4.3Å; L166-L170 WeakPolarHBondContact O-CB 3.31Å; L166-L170 PolarHBondContact O-N 2.86Å; L170-P172 VanDerWaalsContact O-CD 3.29Å; L170-P172 WeakPolarHBondContact O-CD 3.28Å
171D62.1Low73.3Confident109 Ų10992.2 Ų92.258%0.58343%0.431SS*.  trans-55116.6169.1-164.97.7000107.1K173 K175D171-K173 PolarHBondContact O-N 3.39Å; D171-K175 WeakPolarHBondContact OD1-CE 3.2Å; D171-K175 IonicContact OD1-NZ 3.81Å; D171-K175 PolarHBondContact OD1-NZ 2.9Å; D171-K175 WeakPolarHBondContact OD2-CE 3.29Å; D171-K175 IonicContact OD2-NZ 2.59Å; D171-K175 PolarHBondContact OD2-NZ 3.24Å
172P60.4Low72.1Confident32 Ų3288 Ų8821%0.20841%0.414CS..  trans-59116.6-172.818.8-30.3000109.3W167 L170 M174W167-P172 HydrophobicContact CH2-CB 4.32Å; W167-P172 HydrophobicContact CZ2-CB 4.43Å; L170-P172 VanDerWaalsContact O-CD 3.29Å; L170-P172 WeakPolarHBondContact O-CD 3.28Å; P172-M174 CarbonylContact O-C 3.41Å; P172-M174 PolarHBondContact O-N 3.06Å; P172-M174 VanDerWaalsContact O-N 3.11Å
173K56.9Low70.9Confident206 Ų20695 Ų9590%0.89645%0.449SS*.SBendtrans-55.8-30.7-178.8-73.7-172.2177-177.10112.5D171D171-K173 PolarHBondContact O-N 3.39Å
174M59.1Low69.7Low97 Ų97100.5 Ų100.548%0.47847%0.472SS..SBendtrans-93.797.9167.1-82.6-167.6-8200109.7F127 P172 D176F127-M174 HydrophobicContact CD2-CE 3.57Å; F127-M174 HydrophobicContact CE2-CE 3.43Å; F127-M174 VanDerWaalsContact CE2-CE 3.43Å; P172-M174 CarbonylContact O-C 3.41Å; P172-M174 PolarHBondContact O-N 3.06Å; P172-M174 VanDerWaalsContact O-N 3.11Å; M174-D176 PolarHBondContact O-N 2.92Å
175K63.1Low68.5Low144 Ų14495 Ų9563%0.62645%0.447SS*.  trans-81.3102.2164.5-70.6-178.4-179.7175.20107.7D171 R177D171-K175 WeakPolarHBondContact OD1-CE 3.2Å; D171-K175 IonicContact OD1-NZ 3.81Å; D171-K175 PolarHBondContact OD1-NZ 2.9Å; D171-K175 WeakPolarHBondContact OD2-CE 3.29Å; D171-K175 IonicContact OD2-NZ 2.59Å; D171-K175 PolarHBondContact OD2-NZ 3.24Å; K175-R177 PolarHBondContact O-N 3.07Å
176D67Low67.2Low14 Ų1493.1 Ų93.18%0.07545%0.445CS..  trans-56.4128.3166-72.8-42.6000108.2Q10 R130 M174 F178 N179Q10-D176 PolarHBondContact NE2-OD1 2.84Å; R130-D176 IonicContact CZ-OD1 3.53Å; R130-D176 IonicContact NH1-OD1 3.23Å; R130-D176 PolarHBondContact NH1-OD1 3.29Å; R130-D176 IonicContact NH1-OD2 2.79Å; R130-D176 IonicContact NH2-OD1 3.07Å; R130-D176 PolarHBondContact NH2-OD1 3.22Å; M174-D176 PolarHBondContact O-N 2.92Å; D176-F178 PolarHBondContact O-N 3.33Å; D176-N179 WeakPolarHBondContact O-CB 3.48Å
177R67.3Low66Low107 Ų10794.9 Ų94.940%0.40445%0.447SS..SBendtrans-57.1-40.1-178.8-175.8-169.5-62.6-114.9-20.8112I13 D14 K175 N179I13-R177 HydrophobicContact CD1-CB 3.69Å; I13-R177 HydrophobicContact CG1-CB 3.98Å; I13-R177 VanDerWaalsContact O-CZ 3.29Å; I13-R177 PolarHBondContact O-NE 3.27Å; I13-R177 VanDerWaalsContact O-NE 3.09Å; D14-R177 VanDerWaalsContact CA-CZ 3.41Å; D14-R177 VanDerWaalsContact CG-NH2 3.28Å; D14-R177 PolarHBondContact O-NH1 3.19Å; D14-R177 IonicContact OD1-CZ 2.7Å; D14-R177 IonicContact OD1-NH1 3.43Å; D14-R177 IonicContact OD1-NH2 3.63Å; D14-R177 PolarHBondContact OD1-NH2 3.33Å; D14-R177 IonicContact OD2-NH2 3.59Å; K175-R177 PolarHBondContact O-N 3.07Å; R177-N179 PolarHBondContact O-N 3.47Å
178F67.6Low64.8Low22 Ų22100.8 Ų100.810%0.09647%0.474CS..  trans-90.679.6177.6-58-73.3000108.9I13 M16 E18 V21 Y121 D176I13-F178 HydrophobicContact CD1-CD2 4.14Å; I13-F178 HydrophobicContact CD1-CE2 4.13Å; I13-F178 HydrophobicContact CG1-CD2 4.49Å; I13-F178 HydrophobicContact CG1-CE2 3.99Å; M16-F178 HydrophobicContact CB-CE2 3.95Å; M16-F178 HydrophobicContact CB-CZ 3.96Å; M16-F178 HydrophobicContact CE-CD2 4.47Å; M16-F178 HydrophobicContact CE-CE2 3.89Å; M16-F178 WeakPolarHBondContact O-CZ 3.13Å; E18-F178 HydrophobicContact CB-CD1 4.19Å; E18-F178 HydrophobicContact CB-CE1 3.94Å; E18-F178 HydrophobicContact CG-CD1 4.4Å; E18-F178 VanDerWaalsContact N-CE1 3.34Å; V21-F178 HydrophobicContact CB-CD1 4.5Å; V21-F178 HydrophobicContact CB-CD2 4.37Å; V21-F178 HydrophobicContact CB-CG 4.29Å; V21-F178 HydrophobicContact CG1-CB 4.47Å; V21-F178 HydrophobicContact CG1-CG 4.37Å; V21-F178 HydrophobicContact CG2-CD1 4.19Å; V21-F178 HydrophobicContact CG2-CD2 3.46Å; V21-F178 VanDerWaalsContact CG2-CD2 3.46Å; V21-F178 HydrophobicContact CG2-CE1 4.19Å; V21-F178 HydrophobicContact CG2-CE2 3.42Å; V21-F178 VanDerWaalsContact CG2-CE2 3.42Å; V21-F178 HydrophobicContact CG2-CG 3.84Å; V21-F178 HydrophobicContact CG2-CZ 3.78Å; Y121-F178 HydrophobicContact CE1-CB 4Å; D176-F178 PolarHBondContact O-N 3.33Å
179N64Low63.3Low100 Ų100100.3 Ų100.354%0.53547%0.467SS..  trans-95-19.2-170.360.7-9000114.1K123 D176 R177K123-N179 WeakPolarHBondContact CE-O 3.33Å; K123-N179 PolarHBondContact NZ-O 3.12Å; D176-N179 WeakPolarHBondContact O-CB 3.48Å; R177-N179 PolarHBondContact O-N 3.47Å
180V68Low62Low97 Ų9796.9 Ų96.959%0.58846%0.464SS*.SBendtrans-113125179.1178.90000107.4Y121 P182Y121-V180 VanDerWaalsContact CE1-O 3.24Å; Y121-V180 WeakPolarHBondContact CE1-O 3.49Å; V180-P182 WeakPolarHBondContact O-CD 3.1Å
181K67.1Low60.7Low100 Ų100102.4 Ų102.444%0.43551%0.505SS..  trans-69.2122.9167.3-177.7-166.2175.3-168.50106.7Y117 Y121 E183Y117-K181 HydrophobicContact CE1-CD 4.27Å; Y117-K181 VanDerWaalsContact CE1-CE 3.47Å; Y117-K181 HydrophobicContact CE1-CG 3.83Å; Y121-K181 HydrophobicContact CD1-CB 4.28Å; Y121-K181 HydrophobicContact CD2-CB 4.45Å; Y121-K181 HydrophobicContact CD2-CG 4.24Å; Y121-K181 HydrophobicContact CG-CB 4.13Å; Y121-K181 HydrophobicContact CG-CG 4.39Å; K181-E183 PolarHBondContact O-N 3.22Å
182P66.3Low60.6Low24 Ų24102.1 Ų102.116%0.15650%0.501CS..  trans-56.9141.1172.5-4.54.5000109.9E18 Y117 Y121 V180 K184E18-P182 HydrophobicContact CG-CG 4.29Å; E18-P182 VanDerWaalsContact OE1-CG 3.29Å; E18-P182 WeakPolarHBondContact OE1-CG 3.31Å; Y117-P182 WeakPolarHBondContact OH-CD 3.45Å; Y117-P182 WeakPolarHBondContact OH-CG 3.45Å; Y121-P182 WeakPolarHBondContact OH-CD 3.5Å; V180-P182 WeakPolarHBondContact O-CD 3.1Å; P182-K184 PolarHBondContact O-N 2.93Å
183E63.3Low60.6Low191 Ų191105.8 Ų105.889%0.89352%0.516SS*.SBendtrans-53.9-30.5-176.5-169.4179.8172.900112.1K181K181-E183 PolarHBondContact O-N 3.22Å
184K61.3Low60.8Low129 Ų129100.2 Ų100.256%0.56150%0.495SS*.SBendtrans-132.6143.9176.5-65178.2-178.7176.70110.2P182 P186P182-K184 PolarHBondContact O-N 2.93Å; K184-P186 VanDerWaalsContact O-CD 3.31Å; K184-P186 WeakPolarHBondContact O-CD 3.22Å
185N62.7Low60.9Low20 Ų20100.4 Ų100.411%0.10750%0.496CS..  trans-64.7117.8168.3179.5-2.7000107.5E113 R187 K188E113-N185 PolarHBondContact OE1-ND2 3.27Å; N185-R187 PolarHBondContact O-N 3.33Å; N185-R187 PolarHBondContact OD1-N 3.32Å; N185-K188 PolarHBondContact O-N 2.95Å
186P60.4Low60.8Low55 Ų5597.7 Ų97.736%0.35749%0.488SS..G310 helixtrans-55.6-25.6-177.419.2-30.8000113.1A22 K184 K188 H189A22-P186 HydrophobicContact CB-CG 3.48Å; A22-P186 VanDerWaalsContact CB-CG 3.48Å; K184-P186 VanDerWaalsContact O-CD 3.31Å; K184-P186 WeakPolarHBondContact O-CD 3.22Å; P186-K188 VanDerWaalsContact C-N 3.3Å; P186-K188 PolarHBondContact O-N 3.05Å; P186-H189 PolarHBondContact O-N 3.09Å
187R59.6Low60.3Low92 Ų92103.3 Ų103.335%0.34752%0.515SS..G310 helixtrans-64.1-23.2174.2-95.6-145.6-73.4-144.9-12.8115.7I24 E113 N185 H189I24-R187 PolarHBondContact O-NH2 3.45Å; E113-R187 IonicContact OE1-CZ 3.13Å; E113-R187 IonicContact OE1-NE 2.8Å; E113-R187 PolarHBondContact OE1-NE 3.14Å; E113-R187 IonicContact OE1-NH2 3.62Å; E113-R187 PolarHBondContact OE1-NH2 3.06Å; E113-R187 IonicContact OE2-CZ 2.71Å; E113-R187 IonicContact OE2-NE 4Å; E113-R187 IonicContact OE2-NH2 3.46Å; E113-R187 PolarHBondContact OE2-NH2 2.84Å; N185-R187 PolarHBondContact O-N 3.33Å; N185-R187 PolarHBondContact OD1-N 3.32Å; R187-H189 PolarHBondContact O-N 3.38Å; R187-H189 VanDerWaalsContact O-N 3.09Å
188K55.8Low59.8Low160 Ų160103 Ų10370%0.69652%0.523SS*.G310 helixtrans-68.2-7.6179.1-75.1-164.9176.1-168.30113.2N185 P186N185-K188 PolarHBondContact O-N 2.95Å; P186-K188 VanDerWaalsContact C-N 3.3Å; P186-K188 PolarHBondContact O-N 3.05Å
189H50.3Low59.2Low125 Ų125109.2 Ų109.258%0.57956%0.556SS**SBendtrans-128.3-2.5-173.8-66.8-54.4000115.1P186 R187 P191P186-H189 PolarHBondContact O-N 3.09Å; R187-H189 PolarHBondContact O-N 3.38Å; R187-H189 VanDerWaalsContact O-N 3.09Å; H189-P191 WeakPolarHBondContact O-CD 3.44Å
190D50.3Low58.9Low126 Ų126110 Ų11067%0.67456%0.558SS**  trans-89.3111.1167.8-75.8-26.1000108
191P41.4Very low58Low201 Ų201111.2 Ų111.2100%1.30556%0.555SS**  trans-68.20179.728.7-34.5000113.6H189H189-P191 WeakPolarHBondContact O-CD 3.44Å

Retrieved 191 of 191 residues in 41 ms (Link to these results)

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