A0A3P9Q7H9_POERE Loading...

Transmembrane protein 203

AlphaFold DB , UniProt , Accession A0A3P9Q7H9, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 138 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
1M42Very low57.8Low240 Ų240120.4 Ų120.4100%1.18258%0.577SS**  0105.90-78.2170.2158.200107.3
2L50.5Low58.1Low181 Ų181113.5 Ų113.595%0.94855%0.546SS*.PPolyproline II helixtrans-75121.1171.2-87148.6000106.9S4L2-S4 PolarHBondContact O-N 3.48Å
3F52.5Low58.4Low141 Ų141105.9 Ų105.962%0.61852%0.516SS*.PPolyproline II helixtrans-49.6136.8175.9-74.4-84.3000110.4L5 W11F3-L5 PolarHBondContact O-N 3.36Å; F3-W11 HydrophobicContact CE1-CH2 4.46Å
4S71.8Confident58.9Low59 Ų5999.4 Ų99.441%0.41348%0.484SS..PPolyproline II helixtrans-62.6135.6174177.60000108.8L2 R6 E7 L8L2-S4 PolarHBondContact O-N 3.48Å; S4-R6 PolarHBondContact O-N 3.3Å; S4-E7 PolarHBondContact N-OE2 3.3Å; S4-E7 WeakPolarHBondContact O-CA 3.44Å; S4-E7 WeakPolarHBondContact O-CB 3.46Å; S4-E7 PolarHBondContact O-N 3.13Å; S4-L8 PolarHBondContact O-N 3.45Å
5L56.5Low59.8Low105 Ų10595 Ų9555%0.5547%0.469SS..Hα-helixtrans-50.5-30.4175.8-98.3156.3000112.2F3 V9 L19F3-L5 PolarHBondContact O-N 3.36Å; L5-V9 VanDerWaalsContact O-CB 3.29Å; L5-V9 WeakPolarHBondContact O-CB 3.26Å; L5-V9 WeakPolarHBondContact O-CG2 3.25Å; L5-V9 PolarHBondContact O-N 3.39Å; L5-L19 HydrophobicContact CD2-CD2 4.35Å
6R60.5Low60.8Low206 Ų20694.8 Ų94.878%0.77748%0.475SS*.Hα-helixtrans-68.4-41.6174.7-72-174.6177.9-143.5-0112.9S4 V9 Q10S4-R6 PolarHBondContact O-N 3.3Å; R6-V9 PolarHBondContact O-N 3.15Å; R6-Q10 VanDerWaalsContact O-CB 3.24Å; R6-Q10 WeakPolarHBondContact O-CB 3.45Å; R6-Q10 PolarHBondContact O-N 3.07Å
7E60.2Low61.8Low97 Ų9796.1 Ų96.145%0.45348%0.478SS..Hα-helixtrans-66.2-44.1177-70.5167164.300110.2S4 V9 Q10 W11S4-E7 PolarHBondContact N-OE2 3.3Å; S4-E7 WeakPolarHBondContact O-CA 3.44Å; S4-E7 WeakPolarHBondContact O-CB 3.46Å; S4-E7 PolarHBondContact O-N 3.13Å; E7-V9 PolarHBondContact O-N 3.3Å; E7-Q10 PolarHBondContact O-N 3.47Å; E7-Q10 VanDerWaalsContact O-N 3.12Å; E7-W11 WeakPolarHBondContact O-CB 3.47Å; E7-W11 VanDerWaalsContact O-CG 3.25Å; E7-W11 PolarHBondContact O-N 3.06Å
8L58.6Low62.8Low69 Ų6991 Ų9136%0.36145%0.452SS..Hα-helixtrans-62.6-44177.2-163.871.2000111.5S4 Q10 W11 L12 L19S4-L8 PolarHBondContact O-N 3.45Å; L8-Q10 VanDerWaalsContact C-N 3.3Å; L8-Q10 PolarHBondContact O-N 3.14Å; L8-W11 PolarHBondContact O-N 3.37Å; L8-L12 VanDerWaalsContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 PolarHBondContact O-N 3.14Å; L8-L19 HydrophobicContact CD2-CD1 3.93Å
9V62.3Low63.8Low37 Ų3788.9 Ų88.922%0.22444%0.442CS..Hα-helixtrans-59.4-40.8173.1159.70000111.6L5 R6 E7 W11 G13 F14L5-V9 VanDerWaalsContact O-CB 3.29Å; L5-V9 WeakPolarHBondContact O-CB 3.26Å; L5-V9 WeakPolarHBondContact O-CG2 3.25Å; L5-V9 PolarHBondContact O-N 3.39Å; R6-V9 PolarHBondContact O-N 3.15Å; E7-V9 PolarHBondContact O-N 3.3Å; V9-W11 VanDerWaalsContact C-N 3.34Å; V9-W11 PolarHBondContact O-N 3.06Å; V9-G13 VanDerWaalsContact O-CA 3.3Å; V9-G13 WeakPolarHBondContact O-CA 3.4Å; V9-G13 PolarHBondContact O-N 3.32Å; V9-F14 WeakPolarHBondContact CG1-O 3.37Å
10Q62Low64.9Low121 Ų12190.9 Ų90.957%0.56545%0.448SS*.Hα-helixtrans-71.3-30.5179.9-165.9149.8-3400112.6R6 E7 L8 R133R6-Q10 VanDerWaalsContact O-CB 3.24Å; R6-Q10 WeakPolarHBondContact O-CB 3.45Å; R6-Q10 PolarHBondContact O-N 3.07Å; E7-Q10 PolarHBondContact O-N 3.47Å; E7-Q10 VanDerWaalsContact O-N 3.12Å; L8-Q10 VanDerWaalsContact C-N 3.3Å; L8-Q10 PolarHBondContact O-N 3.14Å; Q10-R133 PolarHBondContact O-NH2 2.79Å
11W59Low65.9Low68 Ų6887.9 Ų87.926%0.25843%0.434SS..Hα-helixtrans-85.8-40.5-178.9-74.336.8000112.8F3 E7 L8 V9 R133 A134F3-W11 HydrophobicContact CE1-CH2 4.46Å; E7-W11 WeakPolarHBondContact O-CB 3.47Å; E7-W11 VanDerWaalsContact O-CG 3.25Å; E7-W11 PolarHBondContact O-N 3.06Å; L8-W11 PolarHBondContact O-N 3.37Å; V9-W11 VanDerWaalsContact C-N 3.34Å; V9-W11 PolarHBondContact O-N 3.06Å; W11-R133 WeakPolarHBondContact O-CD 3.34Å; W11-R133 PolarHBondContact O-NE 3.42Å; W11-R133 PolarHBondContact O-NH1 3.09Å; W11-A134 HydrophobicContact CE3-CB 3.78Å; W11-A134 HydrophobicContact CH2-CB 3.3Å; W11-A134 HydrophobicContact CZ2-CB 4.15Å; W11-A134 HydrophobicContact CZ3-CB 3.08Å
12L61.1Low68Low38 Ų3878.1 Ų78.120%0.19939%0.386CS..Hα-helixtrans-78.3-31177.2-13161.7000110.4L8 F14 L130L8-L12 VanDerWaalsContact O-CB 3.26Å; L8-L12 WeakPolarHBondContact O-CB 3.49Å; L8-L12 PolarHBondContact O-N 3.14Å; L12-F14 HydrophobicContact CB-CD2 3.78Å; L12-F14 HydrophobicContact CB-CE2 4.49Å; L12-F14 HydrophobicContact CD2-CD2 3.44Å; L12-F14 VanDerWaalsContact CD2-CD2 3.44Å; L12-F14 HydrophobicContact CD2-CE2 3.95Å; L12-F14 HydrophobicContact CG-CD2 3.42Å; L12-F14 VanDerWaalsContact CG-CD2 3.42Å; L12-F14 HydrophobicContact CG-CE2 3.77Å; L12-F14 PolarHBondContact O-N 3.36Å; L12-L130 HydrophobicContact CD1-CD1 4.45Å; L12-L130 HydrophobicContact CD1-CD2 3.69Å
13G62.3Low69.7Low15 Ų1574.7 Ų74.716%0.15537%0.367CS..  trans79.10.8-174.100000113.7V9V9-G13 VanDerWaalsContact O-CA 3.3Å; V9-G13 WeakPolarHBondContact O-CA 3.4Å; V9-G13 PolarHBondContact O-N 3.32Å
14F65.1Low71.4Confident15 Ų1572.2 Ų72.27%0.06636%0.36CS..  trans-82.7144.2176.7-69.8-59.4000112V9 L12 E18 V87 V90 L91V9-F14 WeakPolarHBondContact CG1-O 3.37Å; L12-F14 HydrophobicContact CB-CD2 3.78Å; L12-F14 HydrophobicContact CB-CE2 4.49Å; L12-F14 HydrophobicContact CD2-CD2 3.44Å; L12-F14 VanDerWaalsContact CD2-CD2 3.44Å; L12-F14 HydrophobicContact CD2-CE2 3.95Å; L12-F14 HydrophobicContact CG-CD2 3.42Å; L12-F14 VanDerWaalsContact CG-CD2 3.42Å; L12-F14 HydrophobicContact CG-CE2 3.77Å; L12-F14 PolarHBondContact O-N 3.36Å; F14-E18 WeakPolarHBondContact CA-OE2 3.46Å; F14-E18 HydrophobicContact CB-CB 4.2Å; F14-E18 WeakPolarHBondContact CB-OE2 3.47Å; F14-E18 HydrophobicContact CD1-CB 4.26Å; F14-E18 VanDerWaalsContact CD1-OE2 3.26Å; F14-E18 WeakPolarHBondContact CD1-OE2 3.4Å; F14-V87 HydrophobicContact CD1-CG1 3.88Å; F14-V87 HydrophobicContact CE1-CG1 3.33Å; F14-V87 HydrophobicContact CZ-CG1 3.96Å; F14-V90 HydrophobicContact CE2-CG1 3.99Å; F14-V90 HydrophobicContact CZ-CG1 4.12Å; F14-L91 HydrophobicContact CE1-CD1 3.55Å; F14-L91 HydrophobicContact CZ-CD1 3.41Å; F14-L91 VanDerWaalsContact CZ-CD1 3.41Å
15A72.8Confident72.2Confident33 Ų3369.7 Ų69.727%0.27334%0.343SS..  trans-67153.5169.100000110.9F17 E18 L19 F63A15-F17 PolarHBondContact O-N 2.99Å; A15-F17 VanDerWaalsContact O-N 3.12Å; A15-E18 HydrophobicContact CB-CG 4.41Å; A15-E18 PolarHBondContact N-OE2 2.96Å; A15-E18 PolarHBondContact O-N 3.03Å; A15-L19 PolarHBondContact O-N 3.47Å; A15-F63 HydrophobicContact CB-CE1 4.02Å
16T76.5Confident73.7Confident92 Ų9269.7 Ų69.756%0.56434%0.343SS*.Hα-helixtrans-55.5-31.6174.7-42.30000112.1L19 F20T16-L19 PolarHBondContact O-N 3.27Å; T16-F20 PolarHBondContact O-N 3.06Å; T16-F20 VanDerWaalsContact O-N 3.09Å
17F77.4Confident75Confident117 Ų11764.5 Ų64.551%0.51333%0.33SS..Hα-helixtrans-65.1-44.8175.2179-100.2000113A15 L19 F20 L21A15-F17 PolarHBondContact O-N 2.99Å; A15-F17 VanDerWaalsContact O-N 3.12Å; F17-L19 VanDerWaalsContact C-N 3.28Å; F17-L19 PolarHBondContact O-N 3.36Å; F17-F20 PolarHBondContact O-N 3.19Å; F17-L21 HydrophobicContact CE1-CD1 4Å; F17-L21 HydrophobicContact CZ-CD1 3.96Å; F17-L21 WeakPolarHBondContact O-CB 3.38Å; F17-L21 PolarHBondContact O-N 3.46Å
18E80.2Confident76.4Confident4 Ų463.8 Ų63.82%0.01933%0.329CS..Hα-helixtrans-63.3-38.7178.4-67.6169.3139.800110.4F14 A15 F20 L21 H22 F63 T64F14-E18 WeakPolarHBondContact CA-OE2 3.46Å; F14-E18 HydrophobicContact CB-CB 4.2Å; F14-E18 WeakPolarHBondContact CB-OE2 3.47Å; F14-E18 HydrophobicContact CD1-CB 4.26Å; F14-E18 VanDerWaalsContact CD1-OE2 3.26Å; F14-E18 WeakPolarHBondContact CD1-OE2 3.4Å; A15-E18 HydrophobicContact CB-CG 4.41Å; A15-E18 PolarHBondContact N-OE2 2.96Å; A15-E18 PolarHBondContact O-N 3.03Å; E18-F20 PolarHBondContact O-N 3.09Å; E18-L21 WeakPolarHBondContact O-CB 3.26Å; E18-L21 PolarHBondContact O-N 3.03Å; E18-H22 PolarHBondContact O-CD2 2.9Å; E18-H22 PolarHBondContact O-N 3.4Å; E18-F63 HydrophobicContact CG-CD1 4.12Å; E18-F63 WeakPolarHBondContact OE1-CD1 3.48Å; E18-T64 PolarHBondContact OE1-OG1 2.87Å
19L81.3Confident77.8Confident51 Ų5162.5 Ų62.527%0.26732%0.321SS..Hα-helixtrans-64.6-41176.3-162.3135.1000112.2L5 L8 A15 T16 F17 L21 H22 L23L5-L19 HydrophobicContact CD2-CD2 4.35Å; L8-L19 HydrophobicContact CD2-CD1 3.93Å; A15-L19 PolarHBondContact O-N 3.47Å; T16-L19 PolarHBondContact O-N 3.27Å; F17-L19 VanDerWaalsContact C-N 3.28Å; F17-L19 PolarHBondContact O-N 3.36Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L19-H22 PolarHBondContact O-N 3.33Å; L19-L23 WeakPolarHBondContact O-CB 3.4Å; L19-L23 PolarHBondContact O-N 3.25Å
20F85.1Confident79Confident128 Ų12864.3 Ų64.356%0.56134%0.335SS*.Hα-helixtrans-64.5-39.6173.8-174.4-99.9000112T16 F17 E18 L23 L24T16-F20 PolarHBondContact O-N 3.06Å; T16-F20 VanDerWaalsContact O-N 3.09Å; F17-F20 PolarHBondContact O-N 3.19Å; E18-F20 PolarHBondContact O-N 3.09Å; F20-L23 PolarHBondContact O-N 3.5Å; F20-L24 PolarHBondContact O-N 2.76Å
21L86.8Confident80.3Confident29 Ų2964.3 Ų64.315%0.15234%0.337CS..Hα-helixtrans-62.7-45177.6-161.8109.7000111.8F17 E18 L19 L23 L24 A25 A56 L59F17-L21 HydrophobicContact CE1-CD1 4Å; F17-L21 HydrophobicContact CZ-CD1 3.96Å; F17-L21 WeakPolarHBondContact O-CB 3.38Å; F17-L21 PolarHBondContact O-N 3.46Å; E18-L21 WeakPolarHBondContact O-CB 3.26Å; E18-L21 PolarHBondContact O-N 3.03Å; L19-L21 VanDerWaalsContact C-N 3.34Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L21-L24 PolarHBondContact O-N 3.43Å; L21-A25 WeakPolarHBondContact O-CB 3.06Å; L21-A25 PolarHBondContact O-N 3.22Å; L21-A56 HydrophobicContact CD2-CB 3.71Å; L21-A56 WeakPolarHBondContact CD2-O 3.47Å; L21-A56 HydrophobicContact CG-CB 4.48Å; L21-L59 HydrophobicContact CD1-CD2 3.51Å; L21-L59 HydrophobicContact CD2-CB 3.88Å; L21-L59 HydrophobicContact CD2-CD2 4.1Å; L21-L59 HydrophobicContact CG-CD2 4.46Å
22H85.6Confident81.6Confident35 Ų3563.3 Ų63.316%0.16234%0.336CS..Hα-helixtrans-65-37.5174.7-70.6-56.8000112.4E18 L19 A25 L26 D57 S60E18-H22 PolarHBondContact O-CD2 2.9Å; E18-H22 PolarHBondContact O-N 3.4Å; L19-H22 PolarHBondContact O-N 3.33Å; H22-A25 PolarHBondContact O-N 2.97Å; H22-L26 WeakPolarHBondContact O-CB 3.45Å; H22-L26 PolarHBondContact O-N 3.47Å; H22-D57 IonicContact CE1-OD1 3.05Å; H22-D57 PolarHBondContact CE1-OD1 3.12Å; H22-D57 IonicContact ND1-OD1 3.64Å; H22-S60 PolarHBondContact CE1-OG 3.32Å; H22-S60 PolarHBondContact NE2-OG 3.07Å
23L86.8Confident82.7Confident108 Ų10863.5 Ų63.557%0.56534%0.338SS*.Hα-helixtrans-64-44.8175.8-169.271.6000111.5L19 F20 L21 L26 L27L19-L23 WeakPolarHBondContact O-CB 3.4Å; L19-L23 PolarHBondContact O-N 3.25Å; F20-L23 PolarHBondContact O-N 3.5Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L23-L26 PolarHBondContact O-N 3.23Å; L23-L27 PolarHBondContact O-N 2.94Å
24L88Confident83.8Confident89 Ų8964.9 Ų64.947%0.46635%0.349SS..Hα-helixtrans-62.5-43.8176.3-17568.5000111.3F20 L21 L26 L27 L28F20-L24 PolarHBondContact O-N 2.76Å; L21-L24 PolarHBondContact O-N 3.43Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 2.93Å; L24-L27 WeakPolarHBondContact O-CB 3.32Å; L24-L27 PolarHBondContact O-N 3.45Å; L24-L28 WeakPolarHBondContact O-CG 3.41Å; L24-L28 PolarHBondContact O-N 2.95Å
25A88.8Confident84.7Confident7 Ų767.9 Ų67.96%0.05837%0.365CS..Hα-helixtrans-63-4017700000112.7L21 H22 L27 L28 F29 P52 A56L21-A25 WeakPolarHBondContact O-CB 3.06Å; L21-A25 PolarHBondContact O-N 3.22Å; H22-A25 PolarHBondContact O-N 2.97Å; A25-L27 VanDerWaalsContact C-N 3.32Å; A25-L28 PolarHBondContact O-N 3.38Å; A25-F29 VanDerWaalsContact O-CB 3.27Å; A25-F29 WeakPolarHBondContact O-CB 2.99Å; A25-F29 PolarHBondContact O-N 3.42Å; A25-P52 WeakPolarHBondContact CB-O 3.34Å; A25-A56 HydrophobicContact CB-CB 3.42Å; A25-A56 VanDerWaalsContact CB-CB 3.42Å
26L87.2Confident85.2Confident105 Ų10567 Ų6755%0.5536%0.355SS..Hα-helixtrans-64.3-38.2175.1-167.5114.3000111.7H22 L23 L24 F29 S30H22-L26 WeakPolarHBondContact O-CB 3.45Å; H22-L26 PolarHBondContact O-N 3.47Å; L23-L26 PolarHBondContact O-N 3.23Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 PolarHBondContact O-N 2.93Å; L26-F29 PolarHBondContact O-N 3.13Å; L26-S30 WeakPolarHBondContact O-CB 3.14Å; L26-S30 PolarHBondContact O-N 3.39Å
27L88.8Confident85.3Confident97 Ų9766.9 Ų66.951%0.50835%0.354SS..Hα-helixtrans-65.4-48.2175.7-162.3162.6000111L23 L24 A25 F29 S30 M31L23-L27 PolarHBondContact O-N 2.94Å; L24-L27 WeakPolarHBondContact O-CB 3.32Å; L24-L27 PolarHBondContact O-N 3.45Å; A25-L27 VanDerWaalsContact C-N 3.32Å; L27-F29 VanDerWaalsContact C-N 3.33Å; L27-F29 PolarHBondContact O-N 3.31Å; L27-S30 WeakPolarHBondContact O-CB 3.15Å; L27-S30 PolarHBondContact O-N 2.99Å; L27-M31 HydrophobicContact CD2-CE 4.35Å; L27-M31 HydrophobicContact CD2-CG 4.13Å; L27-M31 WeakPolarHBondContact O-CG 3.43Å; L27-M31 PolarHBondContact O-N 2.96Å
28L89.9Confident85.4Confident81 Ų8167.5 Ų67.542%0.42436%0.362SS..Hα-helixtrans-58.6-45.8174.9-69.6175.1000111.1L24 A25 S30 M31 L32 P52L24-L28 WeakPolarHBondContact O-CG 3.41Å; L24-L28 PolarHBondContact O-N 2.95Å; A25-L28 PolarHBondContact O-N 3.38Å; L28-S30 PolarHBondContact O-N 2.91Å; L28-M31 WeakPolarHBondContact O-CB 3.38Å; L28-M31 PolarHBondContact O-N 3.3Å; L28-L32 WeakPolarHBondContact O-CD1 3.46Å; L28-L32 PolarHBondContact O-N 3.07Å; L28-P52 HydrophobicContact CB-CB 4.02Å; L28-P52 HydrophobicContact CB-CG 4.31Å
29F87.9Confident84.8Confident42 Ų4273.5 Ų73.518%0.18439%0.394CS..Hα-helixtrans-59-46175.7172.1-97.8000112.7A25 L26 L27 M31 L32 V33 V49 F50 L53A25-F29 VanDerWaalsContact O-CB 3.27Å; A25-F29 WeakPolarHBondContact O-CB 2.99Å; A25-F29 PolarHBondContact O-N 3.42Å; L26-F29 PolarHBondContact O-N 3.13Å; L27-F29 VanDerWaalsContact C-N 3.33Å; L27-F29 PolarHBondContact O-N 3.31Å; F29-M31 VanDerWaalsContact C-N 3.26Å; F29-M31 PolarHBondContact O-N 3.42Å; F29-L32 PolarHBondContact O-N 3.1Å; F29-L32 VanDerWaalsContact O-N 3.15Å; F29-V33 HydrophobicContact CD1-CG2 4.12Å; F29-V33 HydrophobicContact CD2-CG2 4.2Å; F29-V33 HydrophobicContact CE1-CG2 3.72Å; F29-V33 HydrophobicContact CE2-CG2 3.8Å; F29-V33 HydrophobicContact CG-CG2 4.34Å; F29-V33 HydrophobicContact CZ-CG2 3.54Å; F29-V33 WeakPolarHBondContact O-CB 3.16Å; F29-V33 VanDerWaalsContact O-CG2 3.29Å; F29-V33 WeakPolarHBondContact O-CG2 3.24Å; F29-V33 PolarHBondContact O-N 2.99Å; F29-V49 HydrophobicContact CD2-CG1 4.04Å; F29-V49 WeakPolarHBondContact CD2-O 3.3Å; F29-V49 HydrophobicContact CE2-CG1 3.84Å; F29-F50 HydrophobicContact CD2-CD1 4.38Å; F29-F50 HydrophobicContact CD2-CG 4.46Å; F29-F50 AromaticContact CE2-CD1 3.67Å; F29-F50 HydrophobicContact CE2-CD1 3.67Å; F29-F50 AromaticContact CE2-CD2 3.88Å; F29-F50 HydrophobicContact CE2-CD2 3.88Å; F29-F50 AromaticContact CE2-CE1 3.67Å; F29-F50 HydrophobicContact CE2-CE1 3.67Å; F29-F50 AromaticContact CE2-CE2 3.89Å; F29-F50 HydrophobicContact CE2-CE2 3.89Å; F29-F50 AromaticContact CE2-CG 3.79Å; F29-F50 HydrophobicContact CE2-CG 3.79Å; F29-F50 AromaticContact CE2-CZ 3.78Å; F29-F50 HydrophobicContact CE2-CZ 3.78Å; F29-F50 HydrophobicContact CZ-CD1 4.31Å; F29-F50 AromaticContact CZ-CE1 3.84Å; F29-F50 HydrophobicContact CZ-CE1 3.84Å; F29-F50 HydrophobicContact CZ-CE2 4.21Å; F29-F50 AromaticContact CZ-CZ 3.79Å; F29-F50 HydrophobicContact CZ-CZ 3.79Å; F29-L53 HydrophobicContact CB-CD1 3.23Å; F29-L53 HydrophobicContact CD1-CD1 4.26Å; F29-L53 HydrophobicContact CD2-CD1 3.88Å; F29-L53 HydrophobicContact CD2-CD2 4.34Å; F29-L53 HydrophobicContact CG-CD1 3.54Å; F29-L53 HydrophobicContact CG-CD2 4.37Å
30S87.4Confident84.2Confident75 Ų7574.1 Ų74.152%0.52440%0.397SS..Hα-helixtrans-57.8-40.9175.7-172.70000111.8L26 L27 L28 A34L26-S30 WeakPolarHBondContact O-CB 3.14Å; L26-S30 PolarHBondContact O-N 3.39Å; L27-S30 WeakPolarHBondContact O-CB 3.15Å; L27-S30 PolarHBondContact O-N 2.99Å; L28-S30 PolarHBondContact O-N 2.91Å; S30-A34 WeakPolarHBondContact O-CB 3.42Å; S30-A34 PolarHBondContact O-N 3.06Å
31M88.4Confident83.1Confident122 Ų12271.9 Ų71.960%0.60140%0.397SS*.Hα-helixtrans-66-43.7174.9-70.4-69.7-177.500112.2L27 L28 F29 A34 L35L27-M31 HydrophobicContact CD2-CE 4.35Å; L27-M31 HydrophobicContact CD2-CG 4.13Å; L27-M31 WeakPolarHBondContact O-CG 3.43Å; L27-M31 PolarHBondContact O-N 2.96Å; L28-M31 WeakPolarHBondContact O-CB 3.38Å; L28-M31 PolarHBondContact O-N 3.3Å; F29-M31 VanDerWaalsContact C-N 3.26Å; F29-M31 PolarHBondContact O-N 3.42Å; M31-A34 PolarHBondContact O-N 2.94Å; M31-L35 WeakPolarHBondContact O-CB 3.37Å; M31-L35 PolarHBondContact O-N 3.39Å
32L85.8Confident82.1Confident47 Ų4778.6 Ų78.625%0.24643%0.433CS..Hα-helixtrans-65.6-37.8177.2-8881.2000112L28 F29 L35 R36 V49 P52L28-L32 WeakPolarHBondContact O-CD1 3.46Å; L28-L32 PolarHBondContact O-N 3.07Å; F29-L32 PolarHBondContact O-N 3.1Å; F29-L32 VanDerWaalsContact O-N 3.15Å; L32-L35 PolarHBondContact O-N 3.27Å; L32-R36 VanDerWaalsContact O-CB 3.3Å; L32-R36 WeakPolarHBondContact O-CB 3.49Å; L32-R36 PolarHBondContact O-N 3.02Å; L32-V49 HydrophobicContact CB-CG1 4.06Å; L32-P52 HydrophobicContact CD1-CG 4.31Å; L32-P52 HydrophobicContact CD2-CG 4.16Å
33V85.1Confident81.1Confident41 Ų4187.8 Ų87.825%0.24847%0.467CS..Hα-helixtrans-63.6-49.2174.9169.90000110.2F29 L35 R36 V37 V49F29-V33 HydrophobicContact CD1-CG2 4.12Å; F29-V33 HydrophobicContact CD2-CG2 4.2Å; F29-V33 HydrophobicContact CE1-CG2 3.72Å; F29-V33 HydrophobicContact CE2-CG2 3.8Å; F29-V33 HydrophobicContact CG-CG2 4.34Å; F29-V33 HydrophobicContact CZ-CG2 3.54Å; F29-V33 WeakPolarHBondContact O-CB 3.16Å; F29-V33 VanDerWaalsContact O-CG2 3.29Å; F29-V33 WeakPolarHBondContact O-CG2 3.24Å; F29-V33 PolarHBondContact O-N 2.99Å; V33-L35 VanDerWaalsContact C-N 3.33Å; V33-L35 PolarHBondContact O-N 3.49Å; V33-R36 WeakPolarHBondContact O-CB 3.29Å; V33-R36 PolarHBondContact O-N 3.49Å; V33-V37 WeakPolarHBondContact O-CG2 3.26Å; V33-V37 PolarHBondContact O-N 3.41Å; V33-V49 HydrophobicContact CB-CG1 4.44Å; V33-V49 HydrophobicContact CG2-CG1 3.49Å; V33-V49 VanDerWaalsContact CG2-CG1 3.49Å
34A85.6Confident80.4Confident45 Ų4583.9 Ų83.937%0.37245%0.446SS..Hα-helixtrans-58.3-46177.100000111.4S30 M31 R36 V37 D38S30-A34 WeakPolarHBondContact O-CB 3.42Å; S30-A34 PolarHBondContact O-N 3.06Å; M31-A34 PolarHBondContact O-N 2.94Å; A34-R36 VanDerWaalsContact C-N 3.31Å; A34-R36 PolarHBondContact O-N 3.42Å; A34-V37 PolarHBondContact O-N 2.85Å; A34-D38 PolarHBondContact O-N 2.92Å
35L84.1Confident80Confident78 Ų7882.9 Ų82.941%0.40845%0.446SS..Hα-helixtrans-62-38.2177.9-171.668.7000112.7M31 L32 V33 L39 L40M31-L35 WeakPolarHBondContact O-CB 3.37Å; M31-L35 PolarHBondContact O-N 3.39Å; L32-L35 PolarHBondContact O-N 3.27Å; V33-L35 VanDerWaalsContact C-N 3.33Å; V33-L35 PolarHBondContact O-N 3.49Å; L35-L39 HydrophobicContact CD1-CB 4.2Å; L35-L39 HydrophobicContact CD1-CD1 3.84Å; L35-L39 PolarHBondContact O-N 2.89Å; L35-L40 HydrophobicContact CD2-CD1 4.4Å; L35-L40 HydrophobicContact CG-CD1 4.45Å; L35-L40 PolarHBondContact O-N 3.22Å
36R82Confident79.4Confident14 Ų1484.5 Ų84.55%0.05345%0.451CS..Hα-helixtrans-66.2-41.3177.5-172.2-132.8179.581.38.2111.6L32 V33 A34 S41 L44 W46 V49L32-R36 VanDerWaalsContact O-CB 3.3Å; L32-R36 WeakPolarHBondContact O-CB 3.49Å; L32-R36 PolarHBondContact O-N 3.02Å; V33-R36 WeakPolarHBondContact O-CB 3.29Å; V33-R36 PolarHBondContact O-N 3.49Å; A34-R36 VanDerWaalsContact C-N 3.31Å; A34-R36 PolarHBondContact O-N 3.42Å; R36-S41 WeakPolarHBondContact O-CA 3.42Å; R36-S41 PolarHBondContact O-N 3.45Å; R36-S41 PolarHBondContact O-OG 2.81Å; R36-L44 HydrophobicContact CG-CB 4.13Å; R36-L44 PolarHBondContact NH1-O 3.26Å; R36-L44 PolarHBondContact NH2-O 3.41Å; R36-L44 VanDerWaalsContact NH2-O 3.08Å; R36-W46 VanDerWaalsContact CD-CH2 3.45Å; R36-W46 VanDerWaalsContact CD-CZ3 3.45Å; R36-W46 VanDerWaalsContact CZ-CG 3.46Å; R36-W46 VanDerWaalsContact NE-CE2 3.32Å; R36-W46 VanDerWaalsContact NE-CH2 3.32Å; R36-W46 VanDerWaalsContact NH1-CG 3.27Å; R36-V49 HydrophobicContact CB-CG2 4.22Å; R36-V49 HydrophobicContact CG-CG2 4.24Å
37V79.5Confident79Confident90 Ų9085.5 Ų85.555%0.54545%0.447SS..Hα-helixtrans-69-39.1-179.9173.20000111.7V33 A34V33-V37 WeakPolarHBondContact O-CG2 3.26Å; V33-V37 PolarHBondContact O-N 3.41Å; A34-V37 PolarHBondContact O-N 2.85Å
38D79.9Confident78.7Confident129 Ų12985.8 Ų85.869%0.6945%0.449SS*.Hα-helixtrans-92.8-36.9-171.7-70.7-28.2000114.6A34A34-D38 PolarHBondContact O-N 2.92Å
39L67.6Low78.5Confident130 Ų13082 Ų8268%0.68143%0.429SS*.THydrogen-bonded Turntrans-121.7-27.2-167.3-81.1113.1000116.1L35L35-L39 HydrophobicContact CD1-CB 4.2Å; L35-L39 HydrophobicContact CD1-CD1 3.84Å; L35-L39 PolarHBondContact O-N 2.89Å
40L67.9Low78.4Confident65 Ų6580.4 Ų80.434%0.3442%0.422SS..  trans-138.135.1-163.8-67.5168.5000114.4L35 D42 R43 L44L35-L40 HydrophobicContact CD2-CD1 4.4Å; L35-L40 HydrophobicContact CG-CD1 4.45Å; L35-L40 PolarHBondContact O-N 3.22Å; L40-D42 PolarHBondContact O-N 3.12Å; L40-R43 HydrophobicContact CD2-CB 4.38Å; L40-R43 PolarHBondContact O-N 3.47Å; L40-R43 VanDerWaalsContact O-N 3.1Å; L40-L44 HydrophobicContact CB-CD1 3.57Å; L40-L44 HydrophobicContact CD1-CD1 3.43Å; L40-L44 VanDerWaalsContact CD1-CD1 3.43Å; L40-L44 HydrophobicContact CG-CD1 4.13Å; L40-L44 PolarHBondContact O-N 2.98Å
41S62.3Low78.3Confident81 Ų8180.4 Ų80.457%0.56642%0.419SS*.THydrogen-bonded Turntrans-47.5-35.5-176.9-72.40000114.9R36R36-S41 WeakPolarHBondContact O-CA 3.42Å; R36-S41 PolarHBondContact O-N 3.45Å; R36-S41 PolarHBondContact O-OG 2.81Å
42D64.8Low78.3Confident169 Ų16975.7 Ų75.790%0.90440%0.397SS*.THydrogen-bonded Turntrans-99.9-12.8-175.1-118.4-7.2000114.8L40L40-D42 PolarHBondContact O-N 3.12Å
43R66Low78.3Confident229 Ų22974.2 Ų74.286%0.86439%0.39SS*.THydrogen-bonded Turntrans-103.2-23.6-176.9-69.2-166.6-173-141.83.7114L40L40-R43 HydrophobicContact CD2-CB 4.38Å; L40-R43 PolarHBondContact O-N 3.47Å; L40-R43 VanDerWaalsContact O-N 3.1Å
44L71.1Confident78.3Confident26 Ų2674.7 Ų74.714%0.13639%0.388CS..SBendtrans-99.1106.7-177.7-104.1130.1000111.1R36 L40 L48 V49R36-L44 HydrophobicContact CG-CB 4.13Å; R36-L44 PolarHBondContact NH1-O 3.26Å; R36-L44 PolarHBondContact NH2-O 3.41Å; R36-L44 VanDerWaalsContact NH2-O 3.08Å; L40-L44 HydrophobicContact CB-CD1 3.57Å; L40-L44 HydrophobicContact CD1-CD1 3.43Å; L40-L44 VanDerWaalsContact CD1-CD1 3.43Å; L40-L44 HydrophobicContact CG-CD1 4.13Å; L40-L44 PolarHBondContact O-N 2.98Å; L44-L48 HydrophobicContact CD2-CB 4.24Å; L44-L48 HydrophobicContact CD2-CD2 3.97Å; L44-V49 HydrophobicContact CD2-CG2 3.95Å
45S79.9Confident78.5Confident67 Ų6775.4 Ų75.447%0.46939%0.394SS..  trans-60.8142.5170.5-178.10000111W47 L48 V49S45-W47 PolarHBondContact O-N 2.95Å; S45-L48 WeakPolarHBondContact O-CB 3.18Å; S45-L48 PolarHBondContact O-N 2.95Å; S45-V49 PolarHBondContact O-N 3.48Å
46W77.1Confident78.7Confident42 Ų4271.9 Ų71.916%0.15938%0.377CS..Hα-helixtrans-55.4-34.1175.6-71.6106.7000111.4R36 L48 V49 F50 L105 A106 D109R36-W46 VanDerWaalsContact CD-CH2 3.45Å; R36-W46 VanDerWaalsContact CD-CZ3 3.45Å; R36-W46 VanDerWaalsContact CZ-CG 3.46Å; R36-W46 VanDerWaalsContact NE-CE2 3.32Å; R36-W46 VanDerWaalsContact NE-CH2 3.32Å; R36-W46 VanDerWaalsContact NH1-CG 3.27Å; W46-L48 VanDerWaalsContact C-N 3.27Å; W46-L48 PolarHBondContact O-N 3.5Å; W46-V49 PolarHBondContact O-N 3.5Å; W46-F50 WeakPolarHBondContact O-CD2 3.42Å; W46-F50 PolarHBondContact O-N 2.83Å; W46-L105 HydrophobicContact CD2-CB 3.68Å; W46-L105 HydrophobicContact CD2-CD2 3.97Å; W46-L105 HydrophobicContact CD2-CG 4.45Å; W46-L105 HydrophobicContact CE3-CB 3.99Å; W46-L105 HydrophobicContact CE3-CD2 3.42Å; W46-L105 VanDerWaalsContact CE3-CD2 3.42Å; W46-L105 HydrophobicContact CE3-CG 4.34Å; W46-L105 HydrophobicContact CG-CB 3.96Å; W46-L105 HydrophobicContact CH2-CD2 3.66Å; W46-L105 HydrophobicContact CZ2-CD2 4.14Å; W46-L105 HydrophobicContact CZ3-CD2 3.27Å; W46-L105 HydrophobicContact CZ3-CG 4.46Å; W46-L105 PolarHBondContact NE1-O 2.95Å; W46-L105 VanDerWaalsContact NE1-O 3.13Å; W46-A106 HydrophobicContact CB-CB 4.4Å; W46-D109 PolarHBondContact NE1-OD2 3.23Å
47W78.8Confident78.8Confident125 Ų12571.2 Ų71.247%0.47337%0.374SS..Hα-helixtrans-56.4-37.8173.8-68.994.3000113.7S45 V51 Q103S45-W47 PolarHBondContact O-N 2.95Å; W47-V51 WeakPolarHBondContact O-CG2 3.43Å; W47-V51 PolarHBondContact O-N 3Å; W47-Q103 HydrophobicContact CZ2-CG 4.48Å
48L81.9Confident79.1Confident104 Ų10468.9 Ų68.955%0.54537%0.368SS..Hα-helixtrans-74-34-178.6-143.687.3000111.8L44 S45 W46 F50 V51L44-L48 HydrophobicContact CD2-CB 4.24Å; L44-L48 HydrophobicContact CD2-CD2 3.97Å; S45-L48 WeakPolarHBondContact O-CB 3.18Å; S45-L48 PolarHBondContact O-N 2.95Å; W46-L48 VanDerWaalsContact C-N 3.27Å; W46-L48 PolarHBondContact O-N 3.5Å; L48-F50 VanDerWaalsContact C-N 3.28Å; L48-F50 PolarHBondContact O-N 3.11Å; L48-V51 WeakPolarHBondContact O-CB 3.5Å; L48-V51 WeakPolarHBondContact O-CG2 3.47Å; L48-V51 PolarHBondContact O-N 2.89Å
49V85.2Confident79.5Confident0 Ų067 Ų670%036%0.358CS..Hα-helixtrans-64.5-35.8178.2177.30000110.9F29 L32 V33 R36 L44 S45 W46 P52F29-V49 HydrophobicContact CD2-CG1 4.04Å; F29-V49 WeakPolarHBondContact CD2-O 3.3Å; F29-V49 HydrophobicContact CE2-CG1 3.84Å; L32-V49 HydrophobicContact CB-CG1 4.06Å; V33-V49 HydrophobicContact CB-CG1 4.44Å; V33-V49 HydrophobicContact CG2-CG1 3.49Å; V33-V49 VanDerWaalsContact CG2-CG1 3.49Å; R36-V49 HydrophobicContact CB-CG2 4.22Å; R36-V49 HydrophobicContact CG-CG2 4.24Å; L44-V49 HydrophobicContact CD2-CG2 3.95Å; S45-V49 PolarHBondContact O-N 3.48Å; W46-V49 PolarHBondContact O-N 3.5Å; V49-P52 VanDerWaalsContact O-CD 3.26Å; V49-P52 WeakPolarHBondContact O-CD 3.42Å
50F85.4Confident80.3Confident9 Ų960.9 Ų60.94%0.03933%0.326CS..THydrogen-bonded Turntrans-85.1-6.2179.4-79.8-95.9000114.8F29 W46 L48 P52 L53 F54 L101 C102F29-F50 HydrophobicContact CD2-CD1 4.38Å; F29-F50 HydrophobicContact CD2-CG 4.46Å; F29-F50 AromaticContact CE2-CD1 3.67Å; F29-F50 HydrophobicContact CE2-CD1 3.67Å; F29-F50 AromaticContact CE2-CD2 3.88Å; F29-F50 HydrophobicContact CE2-CD2 3.88Å; F29-F50 AromaticContact CE2-CE1 3.67Å; F29-F50 HydrophobicContact CE2-CE1 3.67Å; F29-F50 AromaticContact CE2-CE2 3.89Å; F29-F50 HydrophobicContact CE2-CE2 3.89Å; F29-F50 AromaticContact CE2-CG 3.79Å; F29-F50 HydrophobicContact CE2-CG 3.79Å; F29-F50 AromaticContact CE2-CZ 3.78Å; F29-F50 HydrophobicContact CE2-CZ 3.78Å; F29-F50 HydrophobicContact CZ-CD1 4.31Å; F29-F50 AromaticContact CZ-CE1 3.84Å; F29-F50 HydrophobicContact CZ-CE1 3.84Å; F29-F50 HydrophobicContact CZ-CE2 4.21Å; F29-F50 AromaticContact CZ-CZ 3.79Å; F29-F50 HydrophobicContact CZ-CZ 3.79Å; W46-F50 WeakPolarHBondContact O-CD2 3.42Å; W46-F50 PolarHBondContact O-N 2.83Å; L48-F50 VanDerWaalsContact C-N 3.28Å; L48-F50 PolarHBondContact O-N 3.11Å; F50-P52 VanDerWaalsContact C-CD 3.41Å; F50-L53 HydrophobicContact CD1-CD2 4.22Å; F50-L53 WeakPolarHBondContact O-CB 3.33Å; F50-L53 PolarHBondContact O-N 3.36Å; F50-L53 VanDerWaalsContact O-N 3.09Å; F50-F54 HydrophobicContact CB-CD2 4.08Å; F50-F54 HydrophobicContact CB-CE2 3.65Å; F50-F54 HydrophobicContact CB-CZ 4.34Å; F50-F54 WeakPolarHBondContact O-CD2 3.28Å; F50-F54 PolarHBondContact O-N 3.47Å; F50-F54 VanDerWaalsContact O-N 3.13Å; F50-L101 HydrophobicContact CE1-CB 4.37Å; F50-L101 HydrophobicContact CZ-CB 4.22Å; F50-C102 WeakPolarHBondContact CB-SG 3.49Å; F50-C102 VanDerWaalsContact CD1-SG 3.5Å; F50-C102 HydrophobicContact CD2-CB 4.48Å; F50-C102 WeakPolarHBondContact CD2-SG 3.42Å; F50-C102 WeakPolarHBondContact CG-SG 3.26Å
51V87.1Confident81.2Confident76 Ų7660.3 Ų60.346%0.46133%0.325SS..Hα-helixtrans-51.6-44.2177.8171.60000113.6W47 L48 L53 F54 A55W47-V51 WeakPolarHBondContact O-CG2 3.43Å; W47-V51 PolarHBondContact O-N 3Å; L48-V51 WeakPolarHBondContact O-CB 3.5Å; L48-V51 WeakPolarHBondContact O-CG2 3.47Å; L48-V51 PolarHBondContact O-N 2.89Å; V51-L53 VanDerWaalsContact C-N 3.29Å; V51-L53 PolarHBondContact O-N 3.12Å; V51-F54 PolarHBondContact O-N 2.98Å; V51-A55 WeakPolarHBondContact O-CB 3.47Å; V51-A55 PolarHBondContact O-N 2.94Å
52P87.9Confident82.3Confident22 Ų2263.8 Ų63.814%0.14333%0.327CS..Hα-helixtrans-60.4-36.9179.4-22.534000113.2A25 L28 L32 V49 F50 A56A25-P52 WeakPolarHBondContact CB-O 3.34Å; L28-P52 HydrophobicContact CB-CB 4.02Å; L28-P52 HydrophobicContact CB-CG 4.31Å; L32-P52 HydrophobicContact CD1-CG 4.31Å; L32-P52 HydrophobicContact CD2-CG 4.16Å; V49-P52 VanDerWaalsContact O-CD 3.26Å; V49-P52 WeakPolarHBondContact O-CD 3.42Å; F50-P52 VanDerWaalsContact C-CD 3.41Å; P52-A56 WeakPolarHBondContact O-CB 3.38Å; P52-A56 PolarHBondContact O-N 3.39Å; P52-A56 VanDerWaalsContact O-N 3.11Å
53L85.5Confident83.2Confident17 Ų1759.5 Ų59.59%0.08930%0.3CS..Hα-helixtrans-68.2-47.6177-99.964.4000111F29 F50 V51 A55 A56 D57 E98F29-L53 HydrophobicContact CB-CD1 3.23Å; F29-L53 HydrophobicContact CD1-CD1 4.26Å; F29-L53 HydrophobicContact CD2-CD1 3.88Å; F29-L53 HydrophobicContact CD2-CD2 4.34Å; F29-L53 HydrophobicContact CG-CD1 3.54Å; F29-L53 HydrophobicContact CG-CD2 4.37Å; F50-L53 HydrophobicContact CD1-CD2 4.22Å; F50-L53 WeakPolarHBondContact O-CB 3.33Å; F50-L53 PolarHBondContact O-N 3.36Å; F50-L53 VanDerWaalsContact O-N 3.09Å; V51-L53 VanDerWaalsContact C-N 3.29Å; V51-L53 PolarHBondContact O-N 3.12Å; L53-A55 VanDerWaalsContact C-N 3.33Å; L53-A55 PolarHBondContact O-N 3.15Å; L53-A56 WeakPolarHBondContact O-CB 3.29Å; L53-A56 PolarHBondContact O-N 3.35Å; L53-A56 VanDerWaalsContact O-N 3.15Å; L53-D57 PolarHBondContact O-N 3.44Å; L53-E98 WeakPolarHBondContact CB-OE2 2.89Å; L53-E98 HydrophobicContact CD2-CG 4.27Å; L53-E98 WeakPolarHBondContact CD2-OE1 3.29Å
54F85.8Confident83.9Confident50 Ų5049.4 Ų49.422%0.21926%0.264CS..Hα-helixtrans-63-39177.2-67.5-49.2000112.8F50 V51 A56 D57 G58 E98 V99F50-F54 HydrophobicContact CB-CD2 4.08Å; F50-F54 HydrophobicContact CB-CE2 3.65Å; F50-F54 HydrophobicContact CB-CZ 4.34Å; F50-F54 WeakPolarHBondContact O-CD2 3.28Å; F50-F54 PolarHBondContact O-N 3.47Å; F50-F54 VanDerWaalsContact O-N 3.13Å; V51-F54 PolarHBondContact O-N 2.98Å; F54-A56 VanDerWaalsContact C-N 3.3Å; F54-A56 PolarHBondContact O-N 3.05Å; F54-D57 PolarHBondContact O-N 2.88Å; F54-G58 PolarHBondContact O-N 2.75Å; F54-E98 HydrophobicContact CE1-CB 3.84Å; F54-E98 HydrophobicContact CZ-CB 4.3Å; F54-V99 HydrophobicContact CE1-CG2 3.73Å; F54-V99 HydrophobicContact CZ-CG2 3.86Å
55A88.6Confident84.4Confident60 Ų6050 Ų5050%0.49627%0.273SS..Hα-helixtrans-62.5-40.1175.400000111.2V51 L53 G58 L59V51-A55 WeakPolarHBondContact O-CB 3.47Å; V51-A55 PolarHBondContact O-N 2.94Å; L53-A55 VanDerWaalsContact C-N 3.33Å; L53-A55 PolarHBondContact O-N 3.15Å; A55-G58 PolarHBondContact O-N 2.89Å; A55-L59 WeakPolarHBondContact O-CB 3.44Å; A55-L59 PolarHBondContact O-N 3.46Å
56A87.8Confident84.6Confident5 Ų549.9 Ų49.94%0.04127%0.266CS..Hα-helixtrans-66.4-43.2176.400000112.9L21 A25 P52 L53 F54 L59 S60L21-A56 HydrophobicContact CD2-CB 3.71Å; L21-A56 WeakPolarHBondContact CD2-O 3.47Å; L21-A56 HydrophobicContact CG-CB 4.48Å; A25-A56 HydrophobicContact CB-CB 3.42Å; A25-A56 VanDerWaalsContact CB-CB 3.42Å; P52-A56 WeakPolarHBondContact O-CB 3.38Å; P52-A56 PolarHBondContact O-N 3.39Å; P52-A56 VanDerWaalsContact O-N 3.11Å; L53-A56 WeakPolarHBondContact O-CB 3.29Å; L53-A56 PolarHBondContact O-N 3.35Å; L53-A56 VanDerWaalsContact O-N 3.15Å; F54-A56 VanDerWaalsContact C-N 3.3Å; F54-A56 PolarHBondContact O-N 3.05Å; A56-L59 PolarHBondContact O-N 2.86Å; A56-S60 WeakPolarHBondContact O-CB 3.42Å; A56-S60 PolarHBondContact O-N 3.22Å; A56-S60 PolarHBondContact O-OG 3.3Å; A56-S60 VanDerWaalsContact O-OG 3.12Å
57D85.8Confident84.6Confident0 Ų050.9 Ų50.90%028%0.277CS..Hα-helixtrans-63.5-41.1174-75.1-22.7000112.3H22 L53 F54 L59 S60 T61 L91 K94H22-D57 IonicContact CE1-OD1 3.05Å; H22-D57 PolarHBondContact CE1-OD1 3.12Å; H22-D57 IonicContact ND1-OD1 3.64Å; L53-D57 PolarHBondContact O-N 3.44Å; F54-D57 PolarHBondContact O-N 2.88Å; D57-L59 PolarHBondContact O-N 3.48Å; D57-S60 PolarHBondContact O-N 2.96Å; D57-T61 WeakPolarHBondContact O-CB 3.37Å; D57-T61 PolarHBondContact O-N 2.85Å; D57-T61 PolarHBondContact O-OG1 3.31Å; D57-L91 HydrophobicContact CB-CD2 4.37Å; D57-L91 VanDerWaalsContact O-CD2 3.28Å; D57-L91 WeakPolarHBondContact O-CD2 3.37Å; D57-K94 WeakPolarHBondContact OD1-CE 3.48Å; D57-K94 IonicContact OD1-NZ 2.6Å; D57-K94 PolarHBondContact OD1-NZ 3.47Å; D57-K94 IonicContact OD2-NZ 2.7Å; D57-K94 PolarHBondContact OD2-NZ 2.99Å
58G85.6Confident84.3Confident41 Ų4146.3 Ų46.342%0.42326%0.264SS..Hα-helixtrans-59.7-45.8174.800000112.4F54 A55 T61 Y62F54-G58 PolarHBondContact O-N 2.75Å; A55-G58 PolarHBondContact O-N 2.89Å; G58-T61 PolarHBondContact O-N 2.85Å; G58-Y62 WeakPolarHBondContact O-CB 3.44Å; G58-Y62 PolarHBondContact O-N 3.47Å
59L87.8Confident84.2Confident90 Ų9046.2 Ų46.247%0.47126%0.263SS..Hα-helixtrans-68.5-39.8-180-147.379.6000112.3L21 A55 A56 D57 Y62 F63L21-L59 HydrophobicContact CD1-CD2 3.51Å; L21-L59 HydrophobicContact CD2-CB 3.88Å; L21-L59 HydrophobicContact CD2-CD2 4.1Å; L21-L59 HydrophobicContact CG-CD2 4.46Å; A55-L59 WeakPolarHBondContact O-CB 3.44Å; A55-L59 PolarHBondContact O-N 3.46Å; A56-L59 PolarHBondContact O-N 2.86Å; D57-L59 PolarHBondContact O-N 3.48Å; L59-Y62 PolarHBondContact O-N 3.22Å; L59-F63 PolarHBondContact O-N 3.24Å
60S84.8Confident84Confident1 Ų154.6 Ų54.61%0.00730%0.295CS..Hα-helixtrans-63.6-41.1174-66.80000111.6H22 A56 D57 Y62 F63 T64H22-S60 PolarHBondContact CE1-OG 3.32Å; H22-S60 PolarHBondContact NE2-OG 3.07Å; A56-S60 WeakPolarHBondContact O-CB 3.42Å; A56-S60 PolarHBondContact O-N 3.22Å; A56-S60 PolarHBondContact O-OG 3.3Å; A56-S60 VanDerWaalsContact O-OG 3.12Å; D57-S60 PolarHBondContact O-N 2.96Å; S60-Y62 VanDerWaalsContact C-N 3.34Å; S60-Y62 PolarHBondContact O-N 3.01Å; S60-F63 PolarHBondContact O-N 3.01Å; S60-T64 WeakPolarHBondContact O-CB 3.3Å; S60-T64 PolarHBondContact O-N 3.36Å; S60-T64 PolarHBondContact O-OG1 3.15Å
61T85.3Confident83.3Confident52 Ų5256.6 Ų56.632%0.31931%0.306SS..Hα-helixtrans-59.3-46.7173.7-51.30000111D57 G58 T64 A65 L88 L91D57-T61 WeakPolarHBondContact O-CB 3.37Å; D57-T61 PolarHBondContact O-N 2.85Å; D57-T61 PolarHBondContact O-OG1 3.31Å; G58-T61 PolarHBondContact O-N 2.85Å; T61-T64 PolarHBondContact O-N 2.85Å; T61-A65 WeakPolarHBondContact O-CB 3.43Å; T61-A65 PolarHBondContact O-N 3.18Å; T61-L88 HydrophobicContact CG2-CD1 4.34Å; T61-L91 WeakPolarHBondContact OG1-CD2 3.49Å
62Y86.1Confident82.6Confident154 Ų15459.1 Ų59.160%0.60431%0.308SS*.Hα-helixtrans-62-44.8-179.6-179.1-102.1000111.9G58 L59 S60 A65 I66G58-Y62 WeakPolarHBondContact O-CB 3.44Å; G58-Y62 PolarHBondContact O-N 3.47Å; L59-Y62 PolarHBondContact O-N 3.22Å; S60-Y62 VanDerWaalsContact C-N 3.34Å; S60-Y62 PolarHBondContact O-N 3.01Å; Y62-A65 PolarHBondContact O-N 3.25Å; Y62-I66 HydrophobicContact CD1-CD1 3.82Å; Y62-I66 HydrophobicContact CE1-CD1 3.28Å; Y62-I66 HydrophobicContact CE1-CG1 4.38Å; Y62-I66 HydrophobicContact CE2-CD1 4.34Å; Y62-I66 WeakPolarHBondContact O-CG1 3.5Å; Y62-I66 PolarHBondContact O-N 3.44Å
63F83.8Confident82Confident79 Ų7965.2 Ų65.235%0.34633%0.334SS..Hα-helixtrans-62.7-48.5177.1-174.8-97000111.7A15 E18 L59 S60 A65 I66 V67A15-F63 HydrophobicContact CB-CE1 4.02Å; E18-F63 HydrophobicContact CG-CD1 4.12Å; E18-F63 WeakPolarHBondContact OE1-CD1 3.48Å; L59-F63 PolarHBondContact O-N 3.24Å; S60-F63 PolarHBondContact O-N 3.01Å; F63-A65 VanDerWaalsContact C-N 3.26Å; F63-A65 PolarHBondContact O-N 3.34Å; F63-I66 PolarHBondContact O-N 3.46Å; F63-I66 VanDerWaalsContact O-N 3.09Å; F63-V67 HydrophobicContact CD1-CG2 4.12Å; F63-V67 HydrophobicContact CE1-CG2 3.71Å; F63-V67 HydrophobicContact CZ-CG2 3.95Å; F63-V67 WeakPolarHBondContact O-CG2 3.27Å; F63-V67 PolarHBondContact O-N 3.4Å
64T79.8Confident81.5Confident18 Ų1871.4 Ų71.411%0.1136%0.363CS..Hα-helixtrans-58-39.6176.4-700000111.5E18 S60 T61 V67 S68 L84 V87E18-T64 PolarHBondContact OE1-OG1 2.87Å; S60-T64 WeakPolarHBondContact O-CB 3.3Å; S60-T64 PolarHBondContact O-N 3.36Å; S60-T64 PolarHBondContact O-OG1 3.15Å; T61-T64 PolarHBondContact O-N 2.85Å; T64-V67 PolarHBondContact O-N 2.87Å; T64-S68 WeakPolarHBondContact O-CB 3.33Å; T64-S68 PolarHBondContact O-N 2.9Å; T64-L84 HydrophobicContact CG2-CD2 3.92Å; T64-L84 HydrophobicContact CG2-CG 4.37Å; T64-V87 HydrophobicContact CG2-CB 4.11Å; T64-V87 HydrophobicContact CG2-CG1 3.77Å
65A82.9Confident80.5Confident39 Ų3975.3 Ų75.332%0.32239%0.386SS..Hα-helixtrans-66.9-31.7176.200000113.7T61 Y62 F63 S68 I69T61-A65 WeakPolarHBondContact O-CB 3.43Å; T61-A65 PolarHBondContact O-N 3.18Å; Y62-A65 PolarHBondContact O-N 3.25Å; F63-A65 VanDerWaalsContact C-N 3.26Å; F63-A65 PolarHBondContact O-N 3.34Å; A65-S68 WeakPolarHBondContact O-CB 3.35Å; A65-S68 PolarHBondContact O-OG 3.34Å; A65-I69 WeakPolarHBondContact O-CD1 3.28Å; A65-I69 VanDerWaalsContact O-CG1 3.25Å; A65-I69 WeakPolarHBondContact O-CG1 2.99Å; A65-I69 PolarHBondContact O-N 3.31Å
66I84.1Confident79.3Confident63 Ų6378.7 Ų78.732%0.32339%0.392SS..Hα-helixtrans-72-46.6174.3-70.4169.8000111.1Y62 F63 S68 I69 R70Y62-I66 HydrophobicContact CD1-CD1 3.82Å; Y62-I66 HydrophobicContact CE1-CD1 3.28Å; Y62-I66 HydrophobicContact CE1-CG1 4.38Å; Y62-I66 HydrophobicContact CE2-CD1 4.34Å; Y62-I66 WeakPolarHBondContact O-CG1 3.5Å; Y62-I66 PolarHBondContact O-N 3.44Å; F63-I66 PolarHBondContact O-N 3.46Å; F63-I66 VanDerWaalsContact O-N 3.09Å; I66-S68 VanDerWaalsContact C-N 3.28Å; I66-S68 PolarHBondContact O-N 3.46Å; I66-I69 PolarHBondContact O-N 2.85Å; I66-I69 VanDerWaalsContact O-N 3.14Å; I66-R70 PolarHBondContact O-N 3.33Å; I66-R70 VanDerWaalsContact O-N 3.13Å
67V77.3Confident78.2Confident64 Ų6482.3 Ų82.339%0.38841%0.406SS..Hα-helixtrans-61.3-43-179.2173.90000110.4F63 T64 I69 R70 L71F63-V67 HydrophobicContact CD1-CG2 4.12Å; F63-V67 HydrophobicContact CE1-CG2 3.71Å; F63-V67 HydrophobicContact CZ-CG2 3.95Å; F63-V67 WeakPolarHBondContact O-CG2 3.27Å; F63-V67 PolarHBondContact O-N 3.4Å; T64-V67 PolarHBondContact O-N 2.87Å; V67-I69 PolarHBondContact O-N 3.22Å; V67-R70 PolarHBondContact O-N 3.09Å; V67-L71 PolarHBondContact O-N 2.7Å
68S71.9Confident77.3Confident28 Ų2893.4 Ų93.420%0.19645%0.448CS..Hα-helixtrans-42-56.8165.3144.40000114.6T64 A65 I66 R70 L71 Y72 L84T64-S68 WeakPolarHBondContact O-CB 3.33Å; T64-S68 PolarHBondContact O-N 2.9Å; A65-S68 WeakPolarHBondContact O-CB 3.35Å; A65-S68 PolarHBondContact O-OG 3.34Å; I66-S68 VanDerWaalsContact C-N 3.28Å; I66-S68 PolarHBondContact O-N 3.46Å; S68-R70 VanDerWaalsContact C-N 3.33Å; S68-R70 PolarHBondContact O-N 3.34Å; S68-L71 PolarHBondContact O-N 2.79Å; S68-Y72 PolarHBondContact O-N 2.87Å; S68-L84 WeakPolarHBondContact OG-CD1 3.36Å
69I80.4Confident76.4Confident102 Ų10297.7 Ų97.752%0.52346%0.46SS..Hα-helixtrans-66.5-39.2-175.3-69.7164.1000110A65 I66 V67 Y72 Q73A65-I69 WeakPolarHBondContact O-CD1 3.28Å; A65-I69 VanDerWaalsContact O-CG1 3.25Å; A65-I69 WeakPolarHBondContact O-CG1 2.99Å; A65-I69 PolarHBondContact O-N 3.31Å; I66-I69 PolarHBondContact O-N 2.85Å; I66-I69 VanDerWaalsContact O-N 3.14Å; V67-I69 PolarHBondContact O-N 3.22Å; I69-Y72 WeakPolarHBondContact O-CB 3.41Å; I69-Y72 PolarHBondContact O-N 3.45Å; I69-Q73 PolarHBondContact O-N 3.07Å
70R80.1Confident75.3Confident176 Ų17693.7 Ų93.766%0.66444%0.441SS*.Hα-helixtrans-64.1-45.7176.2-70.7-165.6177.4-135.42.1112.2I66 V67 S68 Y72 Q73 E74I66-R70 PolarHBondContact O-N 3.33Å; I66-R70 VanDerWaalsContact O-N 3.13Å; V67-R70 PolarHBondContact O-N 3.09Å; S68-R70 VanDerWaalsContact C-N 3.33Å; S68-R70 PolarHBondContact O-N 3.34Å; R70-Y72 PolarHBondContact O-N 2.6Å; R70-Q73 WeakPolarHBondContact O-CB 3.26Å; R70-Q73 PolarHBondContact O-N 3.42Å; R70-E74 PolarHBondContact O-N 3.13Å
71L71.3Confident74.7Confident52 Ų5296.8 Ų96.827%0.27246%0.459SS..Hα-helixtrans-64.7-29.4178.5-127.270000112.5V67 S68 Q73 E74 A80V67-L71 PolarHBondContact O-N 2.7Å; S68-L71 PolarHBondContact O-N 2.79Å; L71-Q73 VanDerWaalsContact C-N 3.29Å; L71-Q73 PolarHBondContact O-N 3.31Å; L71-E74 PolarHBondContact O-N 2.91Å; L71-A80 HydrophobicContact CB-CB 3.8Å; L71-A80 HydrophobicContact CD2-CB 3.6Å; L71-A80 HydrophobicContact CG-CB 4.06Å
72Y71.8Confident74Confident129 Ų129100.1 Ų100.151%0.50648%0.475SS..Hα-helixtrans-65.5-32.2174.1-173.5-93.1000112.7S68 I69 R70 K77S68-Y72 PolarHBondContact O-N 2.87Å; I69-Y72 WeakPolarHBondContact O-CB 3.41Å; I69-Y72 PolarHBondContact O-N 3.45Å; R70-Y72 PolarHBondContact O-N 2.6Å; Y72-K77 HydrophobicContact CD2-CB 4.44Å; Y72-K77 HydrophobicContact CD2-CD 4.01Å; Y72-K77 HydrophobicContact CD2-CG 3.95Å; Y72-K77 HydrophobicContact CE2-CB 4.5Å; Y72-K77 HydrophobicContact CE2-CD 3.55Å; Y72-K77 HydrophobicContact CE2-CG 4Å; Y72-K77 WeakPolarHBondContact O-CE 3.32Å; Y72-K77 PolarHBondContact OH-NZ 3.41Å; Y72-K77 VanDerWaalsContact OH-NZ 3.15Å
73Q76.6Confident73.3Confident150 Ų15098.9 Ų98.970%0.70147%0.469SS*.Hα-helixtrans-73.9-26.1178.1-66.7177.2-8.500112.5I69 R70 L71 N75I69-Q73 PolarHBondContact O-N 3.07Å; R70-Q73 WeakPolarHBondContact O-CB 3.26Å; R70-Q73 PolarHBondContact O-N 3.42Å; L71-Q73 VanDerWaalsContact C-N 3.29Å; L71-Q73 PolarHBondContact O-N 3.31Å; Q73-N75 VanDerWaalsContact C-N 3.32Å; Q73-N75 PolarHBondContact O-N 3.49Å
74E74.6Confident72.7Confident146 Ų14697 Ų9768%0.68246%0.462SS*.THydrogen-bonded Turntrans-86.715.6-178.5-67.7-176.716700114.7R70 L71 E76R70-E74 PolarHBondContact O-N 3.13Å; L71-E74 PolarHBondContact O-N 2.91Å; E74-E76 VanDerWaalsContact C-N 3.27Å; E74-E76 PolarHBondContact O-N 3.35Å; E74-E76 VanDerWaalsContact O-N 3.14Å
75N63.6Low72.6Confident132 Ų132100.9 Ų100.971%0.70648%0.482SS*.THydrogen-bonded Turntrans67.4-4.2176-100.7-46.7000118.4Q73 K77Q73-N75 VanDerWaalsContact C-N 3.32Å; Q73-N75 PolarHBondContact O-N 3.49Å; N75-K77 PolarHBondContact O-N 2.91Å
76E64.9Low72.3Confident132 Ų132101.6 Ų101.662%0.61748%0.476SS*.  trans-84.350.4174.2-76.1-65.8160.600113.3E74 R78 A80E74-E76 VanDerWaalsContact C-N 3.27Å; E74-E76 PolarHBondContact O-N 3.35Å; E74-E76 VanDerWaalsContact O-N 3.14Å; E76-R78 PolarHBondContact O-N 2.88Å; E76-A80 VanDerWaalsContact O-CB 3.26Å; E76-A80 WeakPolarHBondContact O-CB 3.35Å; E76-A80 PolarHBondContact O-N 3.47Å
77K64.4Low71.9Confident80 Ų8098.8 Ų98.835%0.34846%0.462SS..Hα-helixtrans-64.1-37.6-163.6-62.4-175.1176.1-173.90114.7Y72 N75 V81Y72-K77 HydrophobicContact CD2-CB 4.44Å; Y72-K77 HydrophobicContact CD2-CD 4.01Å; Y72-K77 HydrophobicContact CD2-CG 3.95Å; Y72-K77 HydrophobicContact CE2-CB 4.5Å; Y72-K77 HydrophobicContact CE2-CD 3.55Å; Y72-K77 HydrophobicContact CE2-CG 4Å; Y72-K77 WeakPolarHBondContact O-CE 3.32Å; Y72-K77 PolarHBondContact OH-NZ 3.41Å; Y72-K77 VanDerWaalsContact OH-NZ 3.15Å; N75-K77 PolarHBondContact O-N 2.91Å; K77-V81 WeakPolarHBondContact O-CB 3.48Å; K77-V81 WeakPolarHBondContact O-CG2 3.37Å; K77-V81 PolarHBondContact O-N 3.13Å; K77-V81 VanDerWaalsContact O-N 3.13Å
78R67.1Low72Confident234 Ų23499.8 Ų99.888%0.88347%0.465SS*.Hα-helixtrans-72.8-45.8-173.4-77.5-175.4173.9-177.3-0.9112.4E76 L82E76-R78 PolarHBondContact O-N 2.88Å; R78-L82 WeakPolarHBondContact O-CB 3.47Å; R78-L82 PolarHBondContact O-N 3.04Å; R78-L82 VanDerWaalsContact O-N 3.1Å
79L66.4Low72.3Confident130 Ų130101.4 Ų101.468%0.68147%0.473SS*.Hα-helixtrans-72.8-36.7-177.7-159.3132000110.9R83L79-R83 WeakPolarHBondContact O-CB 3.5Å; L79-R83 PolarHBondContact O-N 3.37Å; L79-R83 VanDerWaalsContact O-N 3.07Å
80A65.3Low72.2Confident7 Ų797 Ų976%0.05845%0.451CS..Hα-helixtrans-55.4-56.2170.800000112.2L71 E76 L82 R83 L84L71-A80 HydrophobicContact CB-CB 3.8Å; L71-A80 HydrophobicContact CD2-CB 3.6Å; L71-A80 HydrophobicContact CG-CB 4.06Å; E76-A80 VanDerWaalsContact O-CB 3.26Å; E76-A80 WeakPolarHBondContact O-CB 3.35Å; E76-A80 PolarHBondContact O-N 3.47Å; A80-L82 VanDerWaalsContact C-N 3.33Å; A80-L82 PolarHBondContact O-N 3.02Å; A80-R83 PolarHBondContact O-N 3.08Å; A80-L84 WeakPolarHBondContact O-CB 3.43Å; A80-L84 PolarHBondContact O-N 3.05Å
81V70.8Confident72.3Confident65 Ų6588.9 Ų88.939%0.39442%0.421SS..Hα-helixtrans-64.3-38.9-176.4170.40000111.3K77 L84 L85K77-V81 WeakPolarHBondContact O-CB 3.48Å; K77-V81 WeakPolarHBondContact O-CG2 3.37Å; K77-V81 PolarHBondContact O-N 3.13Å; K77-V81 VanDerWaalsContact O-N 3.13Å; V81-L84 WeakPolarHBondContact O-CB 3.32Å; V81-L84 PolarHBondContact O-N 2.89Å; V81-L85 HydrophobicContact CG1-CD1 3.78Å; V81-L85 HydrophobicContact CG1-CG 4.21Å; V81-L85 WeakPolarHBondContact O-CB 3.49Å; V81-L85 VanDerWaalsContact O-CG 3.3Å; V81-L85 WeakPolarHBondContact O-CG 3.5Å; V81-L85 PolarHBondContact O-N 3.09Å
82L71.3Confident72.7Confident123 Ų12389.3 Ų89.364%0.64443%0.429SS*.Hα-helixtrans-66.7-39.9179.5-153.6121.7000111.8R78 A80 W86R78-L82 WeakPolarHBondContact O-CB 3.47Å; R78-L82 PolarHBondContact O-N 3.04Å; R78-L82 VanDerWaalsContact O-N 3.1Å; A80-L82 VanDerWaalsContact C-N 3.33Å; A80-L82 PolarHBondContact O-N 3.02Å; L82-W86 WeakPolarHBondContact O-CB 3.46Å; L82-W86 PolarHBondContact O-N 3.36Å; L82-W86 VanDerWaalsContact O-N 3.07Å
83R70.8Confident73Confident127 Ų12784.7 Ų84.748%0.47941%0.412SS..Hα-helixtrans-64.3-43.3173.4-171.6-176.7-137.4-176.94.5111.6L79 A80 W86 V87L79-R83 WeakPolarHBondContact O-CB 3.5Å; L79-R83 PolarHBondContact O-N 3.37Å; L79-R83 VanDerWaalsContact O-N 3.07Å; A80-R83 PolarHBondContact O-N 3.08Å; R83-W86 WeakPolarHBondContact O-CB 3.43Å; R83-W86 PolarHBondContact O-N 2.91Å; R83-V87 WeakPolarHBondContact O-CG2 3.28Å; R83-V87 PolarHBondContact O-N 2.99Å
84L71.9Confident73.3Confident39 Ų3980.4 Ų80.420%0.20439%0.391CS..Hα-helixtrans-63.7-48.8-179.8-149.6-174.1000111.5T64 S68 A80 V81 W86 V87 L88T64-L84 HydrophobicContact CG2-CD2 3.92Å; T64-L84 HydrophobicContact CG2-CG 4.37Å; S68-L84 WeakPolarHBondContact OG-CD1 3.36Å; A80-L84 WeakPolarHBondContact O-CB 3.43Å; A80-L84 PolarHBondContact O-N 3.05Å; V81-L84 WeakPolarHBondContact O-CB 3.32Å; V81-L84 PolarHBondContact O-N 2.89Å; L84-W86 PolarHBondContact O-N 3.39Å; L84-V87 PolarHBondContact O-N 3.42Å; L84-L88 VanDerWaalsContact O-CB 3.29Å; L84-L88 WeakPolarHBondContact O-CB 3.44Å; L84-L88 PolarHBondContact O-N 3.36Å
85L77.3Confident73.6Confident101 Ų10176.7 Ų76.753%0.52938%0.376SS..Hα-helixtrans-58.9-40.2176-75.9170.5000110.9V81 L88 T89V81-L85 HydrophobicContact CG1-CD1 3.78Å; V81-L85 HydrophobicContact CG1-CG 4.21Å; V81-L85 WeakPolarHBondContact O-CB 3.49Å; V81-L85 VanDerWaalsContact O-CG 3.3Å; V81-L85 WeakPolarHBondContact O-CG 3.5Å; V81-L85 PolarHBondContact O-N 3.09Å; L85-L88 PolarHBondContact O-N 3.2Å; L85-T89 VanDerWaalsContact O-CG2 3.3Å; L85-T89 WeakPolarHBondContact O-CG2 3.26Å; L85-T89 PolarHBondContact O-N 3.5Å; L85-T89 PolarHBondContact O-OG1 3.02Å; L85-T89 VanDerWaalsContact O-OG1 3.09Å
86W77.1Confident74.5Confident53 Ų5373.8 Ų73.820%0.20136%0.362CS..Hα-helixtrans-62.3-48.9175-177.8-83.3000112.9L82 R83 L84 L88 T89 V90 L129 R133L82-W86 WeakPolarHBondContact O-CB 3.46Å; L82-W86 PolarHBondContact O-N 3.36Å; L82-W86 VanDerWaalsContact O-N 3.07Å; R83-W86 WeakPolarHBondContact O-CB 3.43Å; R83-W86 PolarHBondContact O-N 2.91Å; L84-W86 PolarHBondContact O-N 3.39Å; W86-L88 VanDerWaalsContact C-N 3.29Å; W86-L88 PolarHBondContact O-N 2.93Å; W86-T89 PolarHBondContact O-N 2.94Å; W86-T89 PolarHBondContact O-OG1 3.41Å; W86-V90 WeakPolarHBondContact O-CG2 3.41Å; W86-V90 PolarHBondContact O-N 3.03Å; W86-L129 HydrophobicContact CH2-CB 3.72Å; W86-L129 HydrophobicContact CH2-CD2 3.72Å; W86-L129 HydrophobicContact CH2-CG 4.31Å; W86-L129 WeakPolarHBondContact CH2-O 3.18Å; W86-L129 HydrophobicContact CZ2-CB 4.16Å; W86-L129 HydrophobicContact CZ3-CD2 3.76Å; W86-R133 HydrophobicContact CH2-CB 4.09Å; W86-R133 HydrophobicContact CZ2-CB 3.97Å; W86-R133 HydrophobicContact CZ2-CG 4.41Å
87V75.6Confident75.2Confident4 Ų468.4 Ų68.42%0.02434%0.339CS..Hα-helixtrans-64.1-40.9-180173.80000110.1F14 T64 R83 L84 V90 L91F14-V87 HydrophobicContact CD1-CG1 3.88Å; F14-V87 HydrophobicContact CE1-CG1 3.33Å; F14-V87 HydrophobicContact CZ-CG1 3.96Å; T64-V87 HydrophobicContact CG2-CB 4.11Å; T64-V87 HydrophobicContact CG2-CG1 3.77Å; R83-V87 WeakPolarHBondContact O-CG2 3.28Å; R83-V87 PolarHBondContact O-N 2.99Å; L84-V87 PolarHBondContact O-N 3.42Å; V87-V90 PolarHBondContact O-N 2.81Å; V87-L91 WeakPolarHBondContact O-CB 3.36Å; V87-L91 PolarHBondContact O-N 2.99Å
88L79.8Confident75.9Confident86 Ų8665.2 Ų65.245%0.4533%0.326SS..Hα-helixtrans-62.9-41.9177-163.292.8000112.3T61 L84 L85 W86 L91 S92T61-L88 HydrophobicContact CG2-CD1 4.34Å; L84-L88 VanDerWaalsContact O-CB 3.29Å; L84-L88 WeakPolarHBondContact O-CB 3.44Å; L84-L88 PolarHBondContact O-N 3.36Å; L85-L88 PolarHBondContact O-N 3.2Å; W86-L88 VanDerWaalsContact C-N 3.29Å; W86-L88 PolarHBondContact O-N 2.93Å; L88-L91 PolarHBondContact O-N 3.35Å; L88-S92 VanDerWaalsContact O-CB 3.28Å; L88-S92 WeakPolarHBondContact O-CB 3.48Å; L88-S92 PolarHBondContact O-N 3.25Å; L88-S92 PolarHBondContact O-OG 3.43Å; L88-S92 VanDerWaalsContact O-OG 3.13Å
89T78.3Confident76.5Confident61 Ų6156 Ų5637%0.37430%0.295SS..Hα-helixtrans-68.5-38.7177.452.40000112.1L85 W86 S92 L93L85-T89 VanDerWaalsContact O-CG2 3.3Å; L85-T89 WeakPolarHBondContact O-CG2 3.26Å; L85-T89 PolarHBondContact O-N 3.5Å; L85-T89 PolarHBondContact O-OG1 3.02Å; L85-T89 VanDerWaalsContact O-OG1 3.09Å; W86-T89 PolarHBondContact O-N 2.94Å; W86-T89 PolarHBondContact O-OG1 3.41Å; T89-S92 WeakPolarHBondContact CA-OG 3.3Å; T89-S92 PolarHBondContact O-OG 3.23Å; T89-S92 VanDerWaalsContact O-OG 3.05Å; T89-L93 VanDerWaalsContact O-CB 3.26Å; T89-L93 WeakPolarHBondContact O-CB 3.45Å; T89-L93 PolarHBondContact O-N 3.05Å; T89-L93 VanDerWaalsContact O-N 3.08Å
90V78.4Confident77Confident9 Ų951.1 Ų51.16%0.05527%0.27CS..Hα-helixtrans-62.2-47.3173.9164.70000110.8F14 W86 V87 L93 K94 L126F14-V90 HydrophobicContact CE2-CG1 3.99Å; F14-V90 HydrophobicContact CZ-CG1 4.12Å; W86-V90 WeakPolarHBondContact O-CG2 3.41Å; W86-V90 PolarHBondContact O-N 3.03Å; V87-V90 PolarHBondContact O-N 2.81Å; V90-L93 PolarHBondContact O-N 3.3Å; V90-K94 PolarHBondContact O-N 2.9Å; V90-L126 HydrophobicContact CB-CD1 4.07Å; V90-L126 HydrophobicContact CG1-CD1 3.81Å; V90-L126 HydrophobicContact CG2-CD1 3.81Å
91L80.5Confident77.5Confident7 Ų753.7 Ų53.74%0.03728%0.282CS..Hα-helixtrans-69.6-38.8-177-147.292.2000112.2F14 D57 T61 V87 L88 L93 K94 L95F14-L91 HydrophobicContact CE1-CD1 3.55Å; F14-L91 HydrophobicContact CZ-CD1 3.41Å; F14-L91 VanDerWaalsContact CZ-CD1 3.41Å; D57-L91 HydrophobicContact CB-CD2 4.37Å; D57-L91 VanDerWaalsContact O-CD2 3.28Å; D57-L91 WeakPolarHBondContact O-CD2 3.37Å; T61-L91 WeakPolarHBondContact OG1-CD2 3.49Å; V87-L91 WeakPolarHBondContact O-CB 3.36Å; V87-L91 PolarHBondContact O-N 2.99Å; L88-L91 PolarHBondContact O-N 3.35Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-L93 PolarHBondContact O-N 3.41Å; L91-K94 WeakPolarHBondContact O-CB 3.45Å; L91-K94 PolarHBondContact O-N 3.38Å; L91-L95 WeakPolarHBondContact O-CB 3.42Å; L91-L95 PolarHBondContact O-N 3.21Å
92S79.4Confident77.8Confident61 Ų6150.6 Ų50.643%0.42726%0.263SS..Hα-helixtrans-65.5-38.5176.267.90000111.7L88 T89 L95 V96L88-S92 VanDerWaalsContact O-CB 3.28Å; L88-S92 WeakPolarHBondContact O-CB 3.48Å; L88-S92 PolarHBondContact O-N 3.25Å; L88-S92 PolarHBondContact O-OG 3.43Å; L88-S92 VanDerWaalsContact O-OG 3.13Å; T89-S92 WeakPolarHBondContact CA-OG 3.3Å; T89-S92 PolarHBondContact O-OG 3.23Å; T89-S92 VanDerWaalsContact O-OG 3.05Å; S92-L95 PolarHBondContact O-N 3.32Å; S92-V96 WeakPolarHBondContact O-CB 3.3Å; S92-V96 VanDerWaalsContact O-CG2 3.27Å; S92-V96 WeakPolarHBondContact O-CG2 3.29Å; S92-V96 PolarHBondContact O-N 3.39Å
93L79.8Confident77.9Confident32 Ų3248.4 Ų48.417%0.16825%0.25CS..Hα-helixtrans-68-37.2177.3-159.162.6000111.7T89 V90 L91 C97 P122 I125 L126T89-L93 VanDerWaalsContact O-CB 3.26Å; T89-L93 WeakPolarHBondContact O-CB 3.45Å; T89-L93 PolarHBondContact O-N 3.05Å; T89-L93 VanDerWaalsContact O-N 3.08Å; V90-L93 PolarHBondContact O-N 3.3Å; L91-L93 VanDerWaalsContact C-N 3.33Å; L91-L93 PolarHBondContact O-N 3.41Å; L93-C97 WeakPolarHBondContact O-CB 3.47Å; L93-C97 PolarHBondContact O-N 3.1Å; L93-C97 VanDerWaalsContact O-N 3.08Å; L93-P122 HydrophobicContact CD1-CB 3.55Å; L93-P122 VanDerWaalsContact CD2-O 3.26Å; L93-P122 WeakPolarHBondContact CD2-O 3.3Å; L93-P122 HydrophobicContact CG-CB 3.87Å; L93-P122 WeakPolarHBondContact CG-O 3.38Å; L93-I125 HydrophobicContact CD2-CB 4.1Å; L93-I125 HydrophobicContact CD2-CG2 3.89Å; L93-L126 HydrophobicContact CD2-CB 3.75Å; L93-L126 HydrophobicContact CD2-CD1 4.28Å
94K82.1Confident78.1Confident60 Ų6043.8 Ų43.826%0.26123%0.233SC..Hα-helixtrans-60.8-49.9169.9-179.9-179.1176.2-72.30111.2D57 V90 L91 V96 C97 E98D57-K94 WeakPolarHBondContact OD1-CE 3.48Å; D57-K94 IonicContact OD1-NZ 2.6Å; D57-K94 PolarHBondContact OD1-NZ 3.47Å; D57-K94 IonicContact OD2-NZ 2.7Å; D57-K94 PolarHBondContact OD2-NZ 2.99Å; V90-K94 PolarHBondContact O-N 2.9Å; L91-K94 WeakPolarHBondContact O-CB 3.45Å; L91-K94 PolarHBondContact O-N 3.38Å; K94-V96 VanDerWaalsContact C-N 3.35Å; K94-V96 PolarHBondContact O-N 3Å; K94-C97 VanDerWaalsContact O-CB 3.31Å; K94-C97 WeakPolarHBondContact O-CB 3.5Å; K94-C97 PolarHBondContact O-N 3.32Å; K94-C97 VanDerWaalsContact O-N 3.12Å; K94-E98 WeakPolarHBondContact CE-OE1 3.1Å; K94-E98 IonicContact NZ-OE1 2.79Å; K94-E98 PolarHBondContact NZ-OE1 3.45Å; K94-E98 WeakPolarHBondContact O-CG 3.36Å; K94-E98 PolarHBondContact O-N 3Å
95L81.8Confident78Confident68 Ų6844.2 Ų44.236%0.35624%0.236SC..Hα-helixtrans-61.1-42.6180-172.3150.4000111.8L91 S92 C97 E98 V99L91-L95 WeakPolarHBondContact O-CB 3.42Å; L91-L95 PolarHBondContact O-N 3.21Å; S92-L95 PolarHBondContact O-N 3.32Å; L95-C97 VanDerWaalsContact C-N 3.32Å; L95-C97 PolarHBondContact O-N 3.36Å; L95-E98 PolarHBondContact O-N 3.47Å; L95-V99 HydrophobicContact CD2-CG2 3.95Å; L95-V99 WeakPolarHBondContact O-CG2 3.41Å; L95-V99 PolarHBondContact O-N 2.95Å
96V82.2Confident77.7Confident70 Ų7041 Ų4142%0.42422%0.223SC..Hα-helixtrans-60.7-42.4175.3168.50000111S92 K94 V99 L100S92-V96 WeakPolarHBondContact O-CB 3.3Å; S92-V96 VanDerWaalsContact O-CG2 3.27Å; S92-V96 WeakPolarHBondContact O-CG2 3.29Å; S92-V96 PolarHBondContact O-N 3.39Å; K94-V96 VanDerWaalsContact C-N 3.35Å; K94-V96 PolarHBondContact O-N 3Å; V96-V99 PolarHBondContact O-N 3.2Å; V96-L100 HydrophobicContact CG1-CD1 3.65Å; V96-L100 HydrophobicContact CG1-CG 4.42Å; V96-L100 WeakPolarHBondContact O-CB 3.39Å; V96-L100 WeakPolarHBondContact O-CD1 3.32Å; V96-L100 VanDerWaalsContact O-CG 3.28Å; V96-L100 WeakPolarHBondContact O-CG 3.48Å; V96-L100 PolarHBondContact O-N 3.22Å
97C79.1Confident77.2Confident19 Ų1942.4 Ų42.413%0.12823%0.232CC..Hα-helixtrans-60.6-45174.8-169.40000111.7L93 K94 L95 L100 L101 P122L93-C97 WeakPolarHBondContact O-CB 3.47Å; L93-C97 PolarHBondContact O-N 3.1Å; L93-C97 VanDerWaalsContact O-N 3.08Å; K94-C97 VanDerWaalsContact O-CB 3.31Å; K94-C97 WeakPolarHBondContact O-CB 3.5Å; K94-C97 PolarHBondContact O-N 3.32Å; K94-C97 VanDerWaalsContact O-N 3.12Å; L95-C97 VanDerWaalsContact C-N 3.32Å; L95-C97 PolarHBondContact O-N 3.36Å; C97-L100 PolarHBondContact O-N 3.44Å; C97-L101 WeakPolarHBondContact O-CB 3.35Å; C97-L101 VanDerWaalsContact O-CG 3.27Å; C97-L101 WeakPolarHBondContact O-CG 3.31Å; C97-L101 PolarHBondContact O-N 2.88Å; C97-P122 HydrophobicContact CB-CG 4.34Å
98E79.9Confident76.4Confident13 Ų1348.1 Ų48.16%0.06126%0.258CS..Hα-helixtrans-64-41.5177.6-70.4-177.3179.800113L53 F54 K94 L95 L101 C102L53-E98 WeakPolarHBondContact CB-OE2 2.89Å; L53-E98 HydrophobicContact CD2-CG 4.27Å; L53-E98 WeakPolarHBondContact CD2-OE1 3.29Å; F54-E98 HydrophobicContact CE1-CB 3.84Å; F54-E98 HydrophobicContact CZ-CB 4.3Å; K94-E98 WeakPolarHBondContact CE-OE1 3.1Å; K94-E98 IonicContact NZ-OE1 2.79Å; K94-E98 PolarHBondContact NZ-OE1 3.45Å; K94-E98 WeakPolarHBondContact O-CG 3.36Å; K94-E98 PolarHBondContact O-N 3Å; L95-E98 PolarHBondContact O-N 3.47Å; E98-L101 PolarHBondContact O-N 3.36Å; E98-C102 PolarHBondContact O-N 3.09Å; E98-C102 PolarHBondContact O-SG 2.84Å
99V78.9Confident75.2Confident40 Ų4049.9 Ų49.924%0.24227%0.269CS..Hα-helixtrans-65.4-44175.9172.30000110.9F54 L95 V96 L101 C102 Q103F54-V99 HydrophobicContact CE1-CG2 3.73Å; F54-V99 HydrophobicContact CZ-CG2 3.86Å; L95-V99 HydrophobicContact CD2-CG2 3.95Å; L95-V99 WeakPolarHBondContact O-CG2 3.41Å; L95-V99 PolarHBondContact O-N 2.95Å; V96-V99 PolarHBondContact O-N 3.2Å; V99-L101 VanDerWaalsContact C-N 3.3Å; V99-L101 PolarHBondContact O-N 3.18Å; V99-C102 WeakPolarHBondContact O-CB 3.49Å; V99-C102 PolarHBondContact O-N 3.42Å; V99-Q103 WeakPolarHBondContact O-CG 3.49Å; V99-Q103 PolarHBondContact O-N 3.22Å
100L76.8Confident73.9Confident28 Ų2857.6 Ų57.615%0.14729%0.291CS..Hα-helixtrans-61.4-39.7175.3-77.6160.8000111.5V96 C97 K104 I119 P122V96-L100 HydrophobicContact CG1-CD1 3.65Å; V96-L100 HydrophobicContact CG1-CG 4.42Å; V96-L100 WeakPolarHBondContact O-CB 3.39Å; V96-L100 WeakPolarHBondContact O-CD1 3.32Å; V96-L100 VanDerWaalsContact O-CG 3.28Å; V96-L100 WeakPolarHBondContact O-CG 3.48Å; V96-L100 PolarHBondContact O-N 3.22Å; C97-L100 PolarHBondContact O-N 3.44Å; L100-K104 WeakPolarHBondContact O-CB 3.41Å; L100-K104 PolarHBondContact O-N 3.08Å; L100-I119 HydrophobicContact CB-CG1 4.44Å; L100-P122 HydrophobicContact CD1-CG 4.02Å
101L75.6Confident72.6Confident61 Ų6161.6 Ų61.632%0.31932%0.324SS..Hα-helixtrans-64.6-46.4173.6-75.7167.1000111.4F50 C97 E98 V99 Q103 K104 L105 I119F50-L101 HydrophobicContact CE1-CB 4.37Å; F50-L101 HydrophobicContact CZ-CB 4.22Å; C97-L101 WeakPolarHBondContact O-CB 3.35Å; C97-L101 VanDerWaalsContact O-CG 3.27Å; C97-L101 WeakPolarHBondContact O-CG 3.31Å; C97-L101 PolarHBondContact O-N 2.88Å; E98-L101 PolarHBondContact O-N 3.36Å; V99-L101 VanDerWaalsContact C-N 3.3Å; V99-L101 PolarHBondContact O-N 3.18Å; L101-Q103 VanDerWaalsContact C-N 3.33Å; L101-Q103 PolarHBondContact O-N 3.26Å; L101-K104 PolarHBondContact O-N 3.16Å; L101-L105 WeakPolarHBondContact O-CD1 3.03Å; L101-L105 PolarHBondContact O-N 2.9Å; L101-I119 HydrophobicContact CD2-CG2 3.63Å; L101-I119 HydrophobicContact CG-CG2 3.87Å
102C76.5Confident71Confident0 Ų071.3 Ų71.30%036%0.361CS..Hα-helixtrans-55.8-48.6175.7-71.90000111.7F50 E98 V99 L105 A106F50-C102 WeakPolarHBondContact CB-SG 3.49Å; F50-C102 VanDerWaalsContact CD1-SG 3.5Å; F50-C102 HydrophobicContact CD2-CB 4.48Å; F50-C102 WeakPolarHBondContact CD2-SG 3.42Å; F50-C102 WeakPolarHBondContact CG-SG 3.26Å; E98-C102 PolarHBondContact O-N 3.09Å; E98-C102 PolarHBondContact O-SG 2.84Å; V99-C102 WeakPolarHBondContact O-CB 3.49Å; V99-C102 PolarHBondContact O-N 3.42Å; C102-L105 PolarHBondContact O-N 3.34Å; C102-A106 VanDerWaalsContact O-CB 3.29Å; C102-A106 WeakPolarHBondContact O-CB 3.27Å; C102-A106 PolarHBondContact O-N 3.12Å
103Q75.1Confident69.7Low78 Ų7875.8 Ų75.836%0.36438%0.38SS..Hα-helixtrans-61.3-45.7179-75179.4-10.600110.8W47 V99 L101 L105 A106 E107W47-Q103 HydrophobicContact CZ2-CG 4.48Å; V99-Q103 WeakPolarHBondContact O-CG 3.49Å; V99-Q103 PolarHBondContact O-N 3.22Å; L101-Q103 VanDerWaalsContact C-N 3.33Å; L101-Q103 PolarHBondContact O-N 3.26Å; Q103-L105 PolarHBondContact O-N 3.44Å; Q103-A106 PolarHBondContact O-N 3.08Å; Q103-E107 VanDerWaalsContact O-CB 3.28Å; Q103-E107 WeakPolarHBondContact O-CB 3.27Å; Q103-E107 WeakPolarHBondContact O-CG 3.46Å; Q103-E107 PolarHBondContact O-N 3.41Å
104K73.1Confident68.6Low30 Ų3076.5 Ų76.513%0.1338%0.383CS..Hα-helixtrans-64.4-41.2178.5-170.2-99.2-167.6-178.30112.6L100 L101 E107 Q108 L114 F116 I119L100-K104 WeakPolarHBondContact O-CB 3.41Å; L100-K104 PolarHBondContact O-N 3.08Å; L101-K104 PolarHBondContact O-N 3.16Å; K104-E107 PolarHBondContact O-N 2.95Å; K104-Q108 WeakPolarHBondContact O-CB 3.38Å; K104-Q108 PolarHBondContact O-N 3.31Å; K104-L114 HydrophobicContact CB-CD2 4.29Å; K104-L114 HydrophobicContact CG-CB 4.1Å; K104-F116 VanDerWaalsContact NZ-CZ 3.27Å; K104-I119 HydrophobicContact CB-CD1 3.64Å; K104-I119 HydrophobicContact CD-CD1 4.19Å; K104-I119 HydrophobicContact CG-CD1 3.62Å
105L70.6Confident67.7Low48 Ų4884 Ų8425%0.25141%0.41SS..Hα-helixtrans-68.6-37.9177-84.385.5000111.8W46 L101 C102 Q103W46-L105 HydrophobicContact CD2-CB 3.68Å; W46-L105 HydrophobicContact CD2-CD2 3.97Å; W46-L105 HydrophobicContact CD2-CG 4.45Å; W46-L105 HydrophobicContact CE3-CB 3.99Å; W46-L105 HydrophobicContact CE3-CD2 3.42Å; W46-L105 VanDerWaalsContact CE3-CD2 3.42Å; W46-L105 HydrophobicContact CE3-CG 4.34Å; W46-L105 HydrophobicContact CG-CB 3.96Å; W46-L105 HydrophobicContact CH2-CD2 3.66Å; W46-L105 HydrophobicContact CZ2-CD2 4.14Å; W46-L105 HydrophobicContact CZ3-CD2 3.27Å; W46-L105 HydrophobicContact CZ3-CG 4.46Å; W46-L105 PolarHBondContact NE1-O 2.95Å; W46-L105 VanDerWaalsContact NE1-O 3.13Å; L101-L105 WeakPolarHBondContact O-CD1 3.03Å; L101-L105 PolarHBondContact O-N 2.9Å; C102-L105 PolarHBondContact O-N 3.34Å; Q103-L105 PolarHBondContact O-N 3.44Å
106A71.1Confident66.9Low32 Ų3287.4 Ų87.426%0.26442%0.423SS..Hα-helixtrans-69-35.3174.700000113.6W46 C102 Q103W46-A106 HydrophobicContact CB-CB 4.4Å; C102-A106 VanDerWaalsContact O-CB 3.29Å; C102-A106 WeakPolarHBondContact O-CB 3.27Å; C102-A106 PolarHBondContact O-N 3.12Å; Q103-A106 PolarHBondContact O-N 3.08Å
107E66.1Low66.1Low83 Ų8386.7 Ų86.739%0.38843%0.429SS..Hα-helixtrans-83.3-20.8177.2-71.9-173.5169.200113Q103 K104 D109 R110 A111 L114Q103-E107 VanDerWaalsContact O-CB 3.28Å; Q103-E107 WeakPolarHBondContact O-CB 3.27Å; Q103-E107 WeakPolarHBondContact O-CG 3.46Å; Q103-E107 PolarHBondContact O-N 3.41Å; K104-E107 PolarHBondContact O-N 2.95Å; E107-D109 PolarHBondContact O-N 3.31Å; E107-R110 CarbonylContact O-C 3.38Å; E107-R110 WeakPolarHBondContact O-CA 3.37Å; E107-R110 PolarHBondContact O-N 3.25Å; E107-A111 PolarHBondContact O-N 2.88Å; E107-A111 VanDerWaalsContact O-N 3.11Å; E107-L114 WeakPolarHBondContact OE2-CD1 3.47Å
108Q58.7Low65.6Low124 Ų12490.8 Ų90.858%0.57945%0.449SS*.Hα-helixtrans-64.9-28.2172.5-173154.9-34.900111.9K104 R110K104-Q108 WeakPolarHBondContact O-CB 3.38Å; K104-Q108 PolarHBondContact O-N 3.31Å; Q108-R110 PolarHBondContact O-N 3.39Å
109D54.8Low65.1Low124 Ų12490.7 Ų90.766%0.66345%0.449SS*.THydrogen-bonded Turntrans-69.1-12.6167.5-81.7-44.3000113.1W46 E107W46-D109 PolarHBondContact NE1-OD2 3.23Å; E107-D109 PolarHBondContact O-N 3.31Å
110R52.3Low64.8Low223 Ų22392.3 Ų92.384%0.84246%0.459SS*.THydrogen-bonded Turntrans-127.214-171.6-156.3143.9-178.5149.3-1.4116E107 Q108E107-R110 CarbonylContact O-C 3.38Å; E107-R110 WeakPolarHBondContact O-CA 3.37Å; E107-R110 PolarHBondContact O-N 3.25Å; Q108-R110 PolarHBondContact O-N 3.39Å
111A49.9Very low64.9Low92 Ų9293.6 Ų93.676%0.7647%0.47SS*.THydrogen-bonded Turntrans63.569.4169.600000115.9E107E107-A111 PolarHBondContact O-N 2.88Å; E107-A111 VanDerWaalsContact O-N 3.11Å
112R48.1Very low65Low212 Ų21291.2 Ų91.280%0.846%0.458SS*.  trans-145.5132.2157-122.8174.1-159.2176.75.4112.9L114R112-L114 PolarHBondContact O-N 2.9Å
113D52Low65Low155 Ų15596 Ų9683%0.82948%0.483SS*.  trans-71.385.1179.8-67-51.4000111.5W115D113-W115 PolarHBondContact O-N 3.12Å
114L56.8Low65.1Low46 Ų4698 Ų9824%0.24149%0.491CS..  trans-68.8119.1162.2-127.478.3000108.5K104 E107 R112 F116K104-L114 HydrophobicContact CB-CD2 4.29Å; K104-L114 HydrophobicContact CG-CB 4.1Å; E107-L114 WeakPolarHBondContact OE2-CD1 3.47Å; R112-L114 PolarHBondContact O-N 2.9Å; L114-F116 PolarHBondContact O-N 3.13Å
115W62.7Low65.5Low217 Ų217100.1 Ų100.182%0.82250%0.503SS*.  trans-62119.3-178.1-73.370.3000110.3D113 G117 L118D113-W115 PolarHBondContact O-N 3.12Å; W115-G117 PolarHBondContact O-N 3Å; W115-L118 PolarHBondContact O-N 3.34Å
116F64.3Low65.9Low141 Ų14199.2 Ų99.262%0.61850%0.499SS*.Hα-helixtrans-50-29.4178.2-84.8-92.2000113.2K104 L114 L118 I119 V120K104-F116 VanDerWaalsContact NZ-CZ 3.27Å; L114-F116 PolarHBondContact O-N 3.13Å; F116-L118 VanDerWaalsContact C-N 3.32Å; F116-L118 PolarHBondContact O-N 3.34Å; F116-I119 PolarHBondContact O-N 3.38Å; F116-V120 WeakPolarHBondContact O-CG2 3.41Å; F116-V120 PolarHBondContact O-N 3Å
117G65.5Low66.2Low55 Ų55103.3 Ų103.357%0.56752%0.515SS*.Hα-helixtrans-61.2-33.1176.300000114.5W115 S121W115-G117 PolarHBondContact O-N 3Å; G117-S121 WeakPolarHBondContact O-CB 3.29Å; G117-S121 PolarHBondContact O-N 2.98Å; G117-S121 VanDerWaalsContact O-N 3.08Å
118L69Low66.9Low105 Ų105104 Ų10455%0.5552%0.518SS..Hα-helixtrans-71.6-34.7179.6-172.564.3000111.9W115 F116 P122W115-L118 PolarHBondContact O-N 3.34Å; F116-L118 VanDerWaalsContact C-N 3.32Å; F116-L118 PolarHBondContact O-N 3.34Å; L118-P122 VanDerWaalsContact O-CD 3.23Å; L118-P122 WeakPolarHBondContact O-CD 3.38Å
119I69.6Low67.8Low11 Ų11100.5 Ų100.56%0.05650%0.504CS..Hα-helixtrans-72.9-38.9178.8-58.7172.5000110.6L100 L101 K104 F116 P122L100-I119 HydrophobicContact CB-CG1 4.44Å; L101-I119 HydrophobicContact CD2-CG2 3.63Å; L101-I119 HydrophobicContact CG-CG2 3.87Å; K104-I119 HydrophobicContact CB-CD1 3.64Å; K104-I119 HydrophobicContact CD-CD1 4.19Å; K104-I119 HydrophobicContact CG-CD1 3.62Å; F116-I119 PolarHBondContact O-N 3.38Å; I119-P122 WeakPolarHBondContact O-CD 3.23Å; I119-P122 WeakPolarHBondContact O-CG 3.35Å
120V72.4Confident68.6Low74 Ų7496.6 Ų96.645%0.44848%0.482SS..Hα-helixtrans-78.5-21.9-178.6178.80000112.2F116 L123 F124F116-V120 WeakPolarHBondContact O-CG2 3.41Å; F116-V120 PolarHBondContact O-N 3Å; V120-L123 WeakPolarHBondContact O-CB 3.45Å; V120-L123 PolarHBondContact O-N 3.47Å; V120-L123 VanDerWaalsContact O-N 3.13Å; V120-F124 PolarHBondContact O-N 2.99Å
121S79.1Confident69.9Low54 Ų5492.3 Ų92.338%0.37847%0.473SS..Hα-helixtrans-52.4-53.3178.9179.60000114.2G117 L123 F124 I125G117-S121 WeakPolarHBondContact O-CB 3.29Å; G117-S121 PolarHBondContact O-N 2.98Å; G117-S121 VanDerWaalsContact O-N 3.08Å; S121-L123 VanDerWaalsContact C-N 3.3Å; S121-L123 PolarHBondContact O-N 3.24Å; S121-F124 WeakPolarHBondContact O-CB 3.38Å; S121-F124 PolarHBondContact O-N 3.32Å; S121-F124 VanDerWaalsContact O-N 3.12Å; S121-I125 WeakPolarHBondContact O-CG1 3.39Å; S121-I125 PolarHBondContact O-N 2.9Å
122P77.4Confident71.3Confident11 Ų1193.1 Ų93.17%0.07146%0.464CS..Hα-helixtrans-62.1-34.5176.717-27000113.3L93 C97 L100 L118 I119 F124 L126L93-P122 HydrophobicContact CD1-CB 3.55Å; L93-P122 VanDerWaalsContact CD2-O 3.26Å; L93-P122 WeakPolarHBondContact CD2-O 3.3Å; L93-P122 HydrophobicContact CG-CB 3.87Å; L93-P122 WeakPolarHBondContact CG-O 3.38Å; C97-P122 HydrophobicContact CB-CG 4.34Å; L100-P122 HydrophobicContact CD1-CG 4.02Å; L118-P122 VanDerWaalsContact O-CD 3.23Å; L118-P122 WeakPolarHBondContact O-CD 3.38Å; I119-P122 WeakPolarHBondContact O-CD 3.23Å; I119-P122 WeakPolarHBondContact O-CG 3.35Å; P122-F124 VanDerWaalsContact C-N 3.35Å; P122-L126 WeakPolarHBondContact O-CB 3.36Å; P122-L126 PolarHBondContact O-N 3.13Å
123L76Confident72.3Confident101 Ų10185.3 Ų85.353%0.52944%0.435SS..Hα-helixtrans-64.7-40.8174.3-169.680000111.6V120 S121 L126 L127V120-L123 WeakPolarHBondContact O-CB 3.45Å; V120-L123 PolarHBondContact O-N 3.47Å; V120-L123 VanDerWaalsContact O-N 3.13Å; S121-L123 VanDerWaalsContact C-N 3.3Å; S121-L123 PolarHBondContact O-N 3.24Å; L123-L126 WeakPolarHBondContact O-CB 3.37Å; L123-L126 PolarHBondContact O-N 3.45Å; L123-L127 PolarHBondContact O-N 3Å
124F78.4Confident73.1Confident120 Ų12078.8 Ų78.853%0.52640%0.402SS..Hα-helixtrans-67.6-42.3179.7-167.6-108.1000111.9V120 S121 P122 L126 L127 Q128V120-F124 PolarHBondContact O-N 2.99Å; S121-F124 WeakPolarHBondContact O-CB 3.38Å; S121-F124 PolarHBondContact O-N 3.32Å; S121-F124 VanDerWaalsContact O-N 3.12Å; P122-F124 VanDerWaalsContact C-N 3.35Å; F124-L126 VanDerWaalsContact C-N 3.3Å; F124-L126 PolarHBondContact O-N 2.86Å; F124-L127 PolarHBondContact O-N 3.25Å; F124-Q128 HydrophobicContact CE1-CG 4.36Å; F124-Q128 WeakPolarHBondContact O-CG 3.38Å; F124-Q128 PolarHBondContact O-N 3.42Å
125I81.3Confident73.8Confident74 Ų7481 Ų8138%0.37942%0.421SS..Hα-helixtrans-61.2-41.7174-65.4165.4000110.3L93 S121 L127 Q128 L129L93-I125 HydrophobicContact CD2-CB 4.1Å; L93-I125 HydrophobicContact CD2-CG2 3.89Å; S121-I125 WeakPolarHBondContact O-CG1 3.39Å; S121-I125 PolarHBondContact O-N 2.9Å; I125-L127 VanDerWaalsContact C-N 3.34Å; I125-L127 PolarHBondContact O-N 2.89Å; I125-Q128 PolarHBondContact O-N 2.88Å; I125-L129 HydrophobicContact CG2-CD1 4.03Å; I125-L129 WeakPolarHBondContact O-CB 3.5Å; I125-L129 WeakPolarHBondContact O-CG 3.28Å; I125-L129 PolarHBondContact O-N 3.44Å
126L77.9Confident73.9Confident30 Ų3080.4 Ų80.416%0.15742%0.418CS..Hα-helixtrans-60.3-44.9176.2-175.164.6000111.5V90 L93 P122 L123 F124 L129 L130V90-L126 HydrophobicContact CB-CD1 4.07Å; V90-L126 HydrophobicContact CG1-CD1 3.81Å; V90-L126 HydrophobicContact CG2-CD1 3.81Å; L93-L126 HydrophobicContact CD2-CB 3.75Å; L93-L126 HydrophobicContact CD2-CD1 4.28Å; P122-L126 WeakPolarHBondContact O-CB 3.36Å; P122-L126 PolarHBondContact O-N 3.13Å; L123-L126 WeakPolarHBondContact O-CB 3.37Å; L123-L126 PolarHBondContact O-N 3.45Å; F124-L126 VanDerWaalsContact C-N 3.3Å; F124-L126 PolarHBondContact O-N 2.86Å; L126-L129 PolarHBondContact O-N 3.38Å; L126-L130 HydrophobicContact CG-CD1 4.26Å; L126-L130 WeakPolarHBondContact O-CG 3.45Å; L126-L130 PolarHBondContact O-N 2.96Å
127L76.9Confident73.7Confident117 Ų11776.6 Ų76.661%0.61341%0.406SS*.Hα-helixtrans-65.4-40.3-179.4-158.874.2000111.8L123 F124 I125 L130 M131L123-L127 PolarHBondContact O-N 3Å; F124-L127 PolarHBondContact O-N 3.25Å; I125-L127 VanDerWaalsContact C-N 3.34Å; I125-L127 PolarHBondContact O-N 2.89Å; L127-L130 PolarHBondContact O-N 3.24Å; L127-M131 PolarHBondContact O-N 2.91Å
128Q81.1Confident72.8Confident97 Ų9783.7 Ų83.745%0.45343%0.431SS..Hα-helixtrans-64.9-42.5174.9-74.4178.6-20.400112.3F124 I125 L130 M131 I132F124-Q128 HydrophobicContact CE1-CG 4.36Å; F124-Q128 WeakPolarHBondContact O-CG 3.38Å; F124-Q128 PolarHBondContact O-N 3.42Å; I125-Q128 PolarHBondContact O-N 2.88Å; Q128-L130 VanDerWaalsContact C-N 3.33Å; Q128-L130 PolarHBondContact O-N 3.37Å; Q128-M131 PolarHBondContact O-N 3.37Å; Q128-I132 WeakPolarHBondContact O-CG1 3.4Å; Q128-I132 PolarHBondContact O-N 3.32Å
129L77.8Confident72.9Confident52 Ų5282.6 Ų82.627%0.27243%0.425SS..Hα-helixtrans-59.3-44.9174.5-82.5164.4000111.4W86 I125 L126 M131 I132 R133W86-L129 HydrophobicContact CH2-CB 3.72Å; W86-L129 HydrophobicContact CH2-CD2 3.72Å; W86-L129 HydrophobicContact CH2-CG 4.31Å; W86-L129 WeakPolarHBondContact CH2-O 3.18Å; W86-L129 HydrophobicContact CZ2-CB 4.16Å; W86-L129 HydrophobicContact CZ3-CD2 3.76Å; I125-L129 HydrophobicContact CG2-CD1 4.03Å; I125-L129 WeakPolarHBondContact O-CB 3.5Å; I125-L129 WeakPolarHBondContact O-CG 3.28Å; I125-L129 PolarHBondContact O-N 3.44Å; L126-L129 PolarHBondContact O-N 3.38Å; L129-M131 VanDerWaalsContact C-N 3.34Å; L129-M131 PolarHBondContact O-N 2.84Å; L129-I132 PolarHBondContact O-N 3.08Å; L129-R133 PolarHBondContact O-N 3.38Å; L129-R133 VanDerWaalsContact O-N 3.09Å
130L73.1Confident73.1Confident42 Ų4286.4 Ų86.422%0.2244%0.444CS..Hα-helixtrans-61.9-41.6176.3-73.2166.7000112.1L12 L126 L127 Q128 R133 A134L12-L130 HydrophobicContact CD1-CD1 4.45Å; L12-L130 HydrophobicContact CD1-CD2 3.69Å; L126-L130 HydrophobicContact CG-CD1 4.26Å; L126-L130 WeakPolarHBondContact O-CG 3.45Å; L126-L130 PolarHBondContact O-N 2.96Å; L127-L130 PolarHBondContact O-N 3.24Å; Q128-L130 VanDerWaalsContact C-N 3.33Å; Q128-L130 PolarHBondContact O-N 3.37Å; L130-R133 PolarHBondContact O-N 2.92Å; L130-A134 WeakPolarHBondContact O-CB 3.28Å; L130-A134 PolarHBondContact O-N 3.34Å
131M78Confident73.2Confident132 Ų13287.1 Ų87.165%0.6544%0.444SS*.Hα-helixtrans-62.5-43.6176.4-177.9-175.4152.500112.2L127 Q128 L129 R133 A134 C135L127-M131 PolarHBondContact O-N 2.91Å; Q128-M131 PolarHBondContact O-N 3.37Å; L129-M131 VanDerWaalsContact C-N 3.34Å; L129-M131 PolarHBondContact O-N 2.84Å; M131-R133 VanDerWaalsContact C-N 3.3Å; M131-R133 PolarHBondContact O-N 3.47Å; M131-A134 VanDerWaalsContact O-CB 3.3Å; M131-A134 WeakPolarHBondContact O-CB 3.45Å; M131-A134 PolarHBondContact O-N 3.18Å; M131-C135 PolarHBondContact O-N 3.5Å; M131-C135 PolarHBondContact O-SG 3.17Å; M131-C135 VanDerWaalsContact O-SG 3.38Å
132I79.1Confident72.8Confident110 Ų11089 Ų8956%0.56445%0.448SS*.Hα-helixtrans-63.2-39.9177.7-67.1164.9000110.7Q128 L129 C135 R136Q128-I132 WeakPolarHBondContact O-CG1 3.4Å; Q128-I132 PolarHBondContact O-N 3.32Å; L129-I132 PolarHBondContact O-N 3.08Å; I132-C135 PolarHBondContact O-N 2.97Å; I132-R136 PolarHBondContact O-N 2.96Å
133R70.3Confident72.5Confident48 Ų4893.9 Ų93.918%0.18147%0.472CS..Hα-helixtrans-68.4-39.3178-169.7173.4174.9-170.5-13.2111.8Q10 W11 W86 L129 L130 M131 C135 R136 V137Q10-R133 PolarHBondContact O-NH2 2.79Å; W11-R133 WeakPolarHBondContact O-CD 3.34Å; W11-R133 PolarHBondContact O-NE 3.42Å; W11-R133 PolarHBondContact O-NH1 3.09Å; W86-R133 HydrophobicContact CH2-CB 4.09Å; W86-R133 HydrophobicContact CZ2-CB 3.97Å; W86-R133 HydrophobicContact CZ2-CG 4.41Å; L129-R133 PolarHBondContact O-N 3.38Å; L129-R133 VanDerWaalsContact O-N 3.09Å; L130-R133 PolarHBondContact O-N 2.92Å; M131-R133 VanDerWaalsContact C-N 3.3Å; M131-R133 PolarHBondContact O-N 3.47Å; R133-C135 VanDerWaalsContact C-N 3.26Å; R133-C135 PolarHBondContact O-N 2.84Å; R133-R136 PolarHBondContact O-N 3.11Å; R133-V137 HydrophobicContact CG-CG2 4.14Å; R133-V137 VanDerWaalsContact O-CG2 3.28Å; R133-V137 WeakPolarHBondContact O-CG2 3.34Å; R133-V137 PolarHBondContact O-N 3.32Å
134A68.9Low72.3Confident17 Ų1793.4 Ų93.414%0.1447%0.468CS..Hα-helixtrans-52.6-44.8173.100000112W11 L130 M131 R136W11-A134 HydrophobicContact CE3-CB 3.78Å; W11-A134 HydrophobicContact CH2-CB 3.3Å; W11-A134 HydrophobicContact CZ2-CB 4.15Å; W11-A134 HydrophobicContact CZ3-CB 3.08Å; L130-A134 WeakPolarHBondContact O-CB 3.28Å; L130-A134 PolarHBondContact O-N 3.34Å; M131-A134 VanDerWaalsContact O-CB 3.3Å; M131-A134 WeakPolarHBondContact O-CB 3.45Å; M131-A134 PolarHBondContact O-N 3.18Å; A134-R136 VanDerWaalsContact C-N 3.3Å; A134-R136 PolarHBondContact O-N 2.92Å
135C70.1Confident71.9Confident94 Ų9491.5 Ų91.564%0.63546%0.464SS*.Hα-helixtrans-71.6-19.9179.9-62.10000114.2M131 I132 R133M131-C135 PolarHBondContact O-N 3.5Å; M131-C135 PolarHBondContact O-SG 3.17Å; M131-C135 VanDerWaalsContact O-SG 3.38Å; I132-C135 PolarHBondContact O-N 2.97Å; R133-C135 VanDerWaalsContact C-N 3.26Å; R133-C135 PolarHBondContact O-N 2.84Å
136R66.4Low71.1Confident204 Ų20492.8 Ų92.877%0.7747%0.47SS*.Hα-helixtrans-92.6-13.9179.4-80.2-116.9-67.2-178.3-0.9114.3I132 R133 A134I132-R136 PolarHBondContact O-N 2.96Å; R133-R136 PolarHBondContact O-N 3.11Å; A134-R136 VanDerWaalsContact C-N 3.3Å; A134-R136 PolarHBondContact O-N 2.92Å
137V60.5Low70.6Confident60 Ų6098.1 Ų98.136%0.36450%0.496SS..  trans-97.3-4.3-173.6174.40000112.5R133R133-V137 HydrophobicContact CG-CG2 4.14Å; R133-V137 VanDerWaalsContact O-CG2 3.28Å; R133-V137 WeakPolarHBondContact O-CG2 3.34Å; R133-V137 PolarHBondContact O-N 3.32Å
138N44.8Very low70Confident204 Ų20496.4 Ų96.4100%1.09149%0.486SS*.  trans-86.90165.1-937.8000111.3

Retrieved 138 of 138 residues in 204.4 ms (Link to these results)