A0A096N621_PAPAN Loading...

THO complex subunit 1

AlphaFold DB (I7GJP6), UniProt , Accession A0A096N621, Species PAPAN (Papio anubis, Olive baboon), Gene THOC1, Length 657 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
1M39Very low61Low244 Ų244112.8 Ų112.8100%1.20266%0.662SS**  0113.10-77.9174.3158.200107.8
2S36.2Very low62.9Low115 Ų115114.8 Ų114.880%0.80466%0.66SS**PPolyproline II helixtrans-66.5136.4166.3-38.90000107.9T4S2-T4 PolarHBondContact O-N 3.23Å
3P52.8Low64.5Low123 Ų123106.4 Ų106.480%0.79961%0.613SS**PPolyproline II helixtrans-62.8127.8173.826.6-32.5000108.6
4T48Very low66Low126 Ų126106.7 Ų106.777%0.77360%0.599SS**PPolyproline II helixtrans-57.9136.2168.327.60000108.8S2S2-T4 PolarHBondContact O-N 3.23Å
5P54.1Low67.4Low107 Ų107104.9 Ų104.970%0.69559%0.592SS**PPolyproline II helixtrans-59.2138.1176.325-33000109.2L7P5-L7 PolarHBondContact O-N 3.08Å; P5-L7 VanDerWaalsContact O-N 3.13Å
6P59.8Low68.7Low94 Ų94104.9 Ų104.961%0.6158%0.58SS**PPolyproline II helixtrans-60119.3-176.522.6-33.4000110.7P41P6-P41 HydrophobicContact CB-CB 3.96Å; P6-P41 HydrophobicContact CB-CG 4.15Å; P6-P41 HydrophobicContact CG-CB 3.6Å; P6-P41 HydrophobicContact CG-CG 4.3Å
7L65.2Low69.8Low166 Ų16698.8 Ų98.887%0.86955%0.546SS*.PPolyproline II helixtrans-61134.7176.3-74.1161000110P5 S9P5-L7 PolarHBondContact O-N 3.08Å; P5-L7 VanDerWaalsContact O-N 3.13Å; L7-S9 PolarHBondContact O-N 3.32Å
8F75.3Confident70.9Confident38 Ų3894.4 Ų94.417%0.16752%0.523CS..  trans-75.5105.2179.9-179.3-116.3000111L10 A13 V40 P41 E46 K47 T50F8-L10 HydrophobicContact CD1-CD2 4.24Å; F8-L10 HydrophobicContact CD1-CG 4.22Å; F8-L10 HydrophobicContact CE1-CD2 3.56Å; F8-L10 HydrophobicContact CE1-CG 3.98Å; F8-L10 HydrophobicContact CZ-CD2 4.43Å; F8-L10 PolarHBondContact O-N 2.92Å; F8-A13 HydrophobicContact CD2-CB 4.34Å; F8-A13 HydrophobicContact CE2-CB 3.46Å; F8-A13 VanDerWaalsContact CE2-CB 3.46Å; F8-A13 HydrophobicContact CZ-CB 3.7Å; F8-V40 HydrophobicContact CD2-CG1 4.27Å; F8-V40 HydrophobicContact CE2-CG1 3.74Å; F8-P41 WeakPolarHBondContact CD2-O 3.23Å; F8-E46 HydrophobicContact CD1-CB 3.99Å; F8-E46 HydrophobicContact CE1-CB 3.6Å; F8-E46 HydrophobicContact CE1-CG 4.47Å; F8-E46 HydrophobicContact CZ-CB 4.04Å; F8-K47 HydrophobicContact CE2-CG 4.44Å; F8-T50 HydrophobicContact CE1-CG2 4.08Å; F8-T50 HydrophobicContact CZ-CG2 3.8Å
9S79.9Confident71.8Confident37 Ų3796.6 Ų96.626%0.25953%0.526SS..  trans-84.499.2174-176.90000110.3L7 E12 A13L7-S9 PolarHBondContact O-N 3.32Å; S9-E12 WeakPolarHBondContact CB-OE1 3.44Å; S9-E12 PolarHBondContact O-N 3.36Å; S9-E12 WeakPolarHBondContact OG-CG 3.26Å; S9-E12 PolarHBondContact OG-OE1 3.1Å; S9-A13 WeakPolarHBondContact O-CB 3.5Å; S9-A13 PolarHBondContact O-N 3.02Å
10L77.3Confident72.5Confident105 Ų10591.9 Ų91.955%0.5550%0.5SS..Hα-helixtrans-45.7-50.3176.7-79161.3000114.7F8 R14 T50F8-L10 HydrophobicContact CD1-CD2 4.24Å; F8-L10 HydrophobicContact CD1-CG 4.22Å; F8-L10 HydrophobicContact CE1-CD2 3.56Å; F8-L10 HydrophobicContact CE1-CG 3.98Å; F8-L10 HydrophobicContact CZ-CD2 4.43Å; F8-L10 PolarHBondContact O-N 2.92Å; L10-R14 WeakPolarHBondContact O-CB 3.46Å; L10-R14 PolarHBondContact O-N 3.41Å; L10-T50 HydrophobicContact CD2-CG2 3.61Å
11P83.6Confident73.1Confident86 Ų8687.7 Ų87.756%0.55848%0.478SS*.Hα-helixtrans-71.2-34.6-17827.5-34.8000113.2T15P11-T15 WeakPolarHBondContact O-CB 3.43Å; P11-T15 WeakPolarHBondContact O-CG2 3.5Å; P11-T15 PolarHBondContact O-N 3.22Å; P11-T15 PolarHBondContact O-OG1 2.7Å
12E83.9Confident75.3Confident136 Ų13680.5 Ų80.564%0.63644%0.437SS*.Hα-helixtrans-70.1-42175.6-70.7164.3-131.900111.3S9 T15 R16S9-E12 WeakPolarHBondContact CB-OE1 3.44Å; S9-E12 PolarHBondContact O-N 3.36Å; S9-E12 WeakPolarHBondContact OG-CG 3.26Å; S9-E12 PolarHBondContact OG-OE1 3.1Å; E12-T15 WeakPolarHBondContact CA-OG1 3.41Å; E12-T15 PolarHBondContact O-N 3.01Å; E12-T15 PolarHBondContact O-OG1 3.26Å; E12-T15 VanDerWaalsContact O-OG1 3.11Å; E12-R16 WeakPolarHBondContact O-CB 3.22Å; E12-R16 PolarHBondContact O-N 3.45Å
13A83.1Confident77.7Confident6 Ų680 Ų805%0.0542%0.422CS..Hα-helixtrans-59.8-49.517300000110.9F8 S9 T15 R16 F17 V40F8-A13 HydrophobicContact CD2-CB 4.34Å; F8-A13 HydrophobicContact CE2-CB 3.46Å; F8-A13 VanDerWaalsContact CE2-CB 3.46Å; F8-A13 HydrophobicContact CZ-CB 3.7Å; S9-A13 WeakPolarHBondContact O-CB 3.5Å; S9-A13 PolarHBondContact O-N 3.02Å; A13-T15 PolarHBondContact O-N 3.44Å; A13-R16 PolarHBondContact O-N 3Å; A13-F17 HydrophobicContact CB-CD2 4.46Å; A13-F17 HydrophobicContact CB-CE2 4.37Å; A13-F17 WeakPolarHBondContact O-CD2 3.48Å; A13-F17 WeakPolarHBondContact O-CG 3.38Å; A13-F17 PolarHBondContact O-N 3Å; A13-V40 HydrophobicContact CB-CG1 4.06Å
14R85.5Confident79.1Confident111 Ų11174.1 Ų74.142%0.41938%0.384SS..Hα-helixtrans-59.9-45.5178.2-174.4176.3175-169.6-2.6112.1L10 R16 F17 T18L10-R14 WeakPolarHBondContact O-CB 3.46Å; L10-R14 PolarHBondContact O-N 3.41Å; R14-R16 VanDerWaalsContact C-N 3.34Å; R14-R16 PolarHBondContact O-N 3.11Å; R14-F17 PolarHBondContact O-N 2.99Å; R14-T18 HydrophobicContact CG-CG2 4.49Å; R14-T18 WeakPolarHBondContact O-CG2 3.41Å; R14-T18 PolarHBondContact O-N 3.34Å; R14-T18 PolarHBondContact O-OG1 3.29Å
15T87.8Confident80.8Confident80 Ų8068.8 Ų68.849%0.49135%0.351SS..Hα-helixtrans-69.4-28.1179.150.50000113.7P11 E12 A13 T18 K19P11-T15 WeakPolarHBondContact O-CB 3.43Å; P11-T15 WeakPolarHBondContact O-CG2 3.5Å; P11-T15 PolarHBondContact O-N 3.22Å; P11-T15 PolarHBondContact O-OG1 2.7Å; E12-T15 WeakPolarHBondContact CA-OG1 3.41Å; E12-T15 PolarHBondContact O-N 3.01Å; E12-T15 PolarHBondContact O-OG1 3.26Å; E12-T15 VanDerWaalsContact O-OG1 3.11Å; A13-T15 PolarHBondContact O-N 3.44Å; T15-T18 WeakPolarHBondContact CA-OG1 3.43Å; T15-T18 PolarHBondContact O-OG1 3.39Å; T15-K19 WeakPolarHBondContact O-CG 3.28Å; T15-K19 PolarHBondContact O-N 3.35Å
16R87.2Confident82.2Confident105 Ų10570.2 Ų70.240%0.39635%0.353SS..Hα-helixtrans-73.5-41.7171.4-163.7-176.5-176.7162.3-0.3111.5E12 A13 R14 K19 S20 T36E12-R16 WeakPolarHBondContact O-CB 3.22Å; E12-R16 PolarHBondContact O-N 3.45Å; A13-R16 PolarHBondContact O-N 3Å; R14-R16 VanDerWaalsContact C-N 3.34Å; R14-R16 PolarHBondContact O-N 3.11Å; R16-K19 PolarHBondContact O-N 3.02Å; R16-S20 PolarHBondContact O-N 3.43Å; R16-S20 VanDerWaalsContact O-N 3.11Å; R16-S20 PolarHBondContact O-OG 3.2Å; R16-T36 HydrophobicContact CG-CG2 3.77Å
17F88.5Confident83.1Confident0 Ų071 Ų710%035%0.352CS..Hα-helixtrans-67.1-38.2175-73.1-53.7000112.8A13 R14 K19 S20 T21 T36 F37 V40 K47 L51 A54A13-F17 HydrophobicContact CB-CD2 4.46Å; A13-F17 HydrophobicContact CB-CE2 4.37Å; A13-F17 WeakPolarHBondContact O-CD2 3.48Å; A13-F17 WeakPolarHBondContact O-CG 3.38Å; A13-F17 PolarHBondContact O-N 3Å; R14-F17 PolarHBondContact O-N 2.99Å; F17-K19 VanDerWaalsContact C-N 3.3Å; F17-K19 PolarHBondContact O-N 3.3Å; F17-S20 PolarHBondContact O-N 3.37Å; F17-S20 PolarHBondContact O-OG 3.11Å; F17-T21 WeakPolarHBondContact O-CG2 3.41Å; F17-T21 PolarHBondContact O-N 3.38Å; F17-T21 PolarHBondContact O-OG1 3.01Å; F17-T21 VanDerWaalsContact O-OG1 3.14Å; F17-T36 HydrophobicContact CD1-CG2 3.86Å; F17-T36 HydrophobicContact CE1-CG2 3.94Å; F17-F37 HydrophobicContact CE1-CB 4.24Å; F17-F37 HydrophobicContact CE1-CD2 4.21Å; F17-F37 HydrophobicContact CZ-CD2 4.13Å; F17-V40 HydrophobicContact CE1-CG2 4.43Å; F17-V40 HydrophobicContact CE2-CG1 4.2Å; F17-V40 HydrophobicContact CE2-CG2 4.33Å; F17-V40 HydrophobicContact CZ-CB 4.12Å; F17-V40 HydrophobicContact CZ-CG1 4.24Å; F17-V40 HydrophobicContact CZ-CG2 3.99Å; F17-K47 HydrophobicContact CZ-CB 4.35Å; F17-L51 HydrophobicContact CB-CD1 4.22Å; F17-L51 HydrophobicContact CD1-CB 4.44Å; F17-L51 HydrophobicContact CD1-CD1 4Å; F17-L51 HydrophobicContact CD2-CB 4.47Å; F17-L51 HydrophobicContact CG-CB 4.39Å; F17-L51 HydrophobicContact CG-CD1 4.23Å; F17-A54 HydrophobicContact CB-CB 3.7Å
18T88.2Confident83.7Confident21 Ų2170.1 Ų70.113%0.12934%0.341CS..Hα-helixtrans-69.6-25.2175.755.60000113.5R14 T15 T21 R22 A54 V58R14-T18 HydrophobicContact CG-CG2 4.49Å; R14-T18 WeakPolarHBondContact O-CG2 3.41Å; R14-T18 PolarHBondContact O-N 3.34Å; R14-T18 PolarHBondContact O-OG1 3.29Å; T15-T18 WeakPolarHBondContact CA-OG1 3.43Å; T15-T18 PolarHBondContact O-OG1 3.39Å; T18-T21 WeakPolarHBondContact CA-OG1 3.43Å; T18-T21 PolarHBondContact O-OG1 3.2Å; T18-R22 WeakPolarHBondContact O-CG 3.28Å; T18-R22 PolarHBondContact O-N 2.84Å; T18-A54 HydrophobicContact CG2-CB 3.69Å; T18-V58 HydrophobicContact CG2-CG2 4.42Å
19K87.9Confident84Confident135 Ų13571.4 Ų71.459%0.58735%0.349SS*.Hα-helixtrans-70.9-48.1168.9-74.2176.7-179.3-178.30111T15 R16 F17 T21 R22 E23T15-K19 WeakPolarHBondContact O-CG 3.28Å; T15-K19 PolarHBondContact O-N 3.35Å; R16-K19 PolarHBondContact O-N 3.02Å; F17-K19 VanDerWaalsContact C-N 3.3Å; F17-K19 PolarHBondContact O-N 3.3Å; K19-T21 PolarHBondContact O-N 2.76Å; K19-R22 PolarHBondContact O-N 2.86Å; K19-E23 WeakPolarHBondContact O-CG 3.37Å; K19-E23 PolarHBondContact O-N 3.07Å
20S86.4Confident84.1Confident2 Ų270.9 Ų70.91%0.01434%0.343CS..Hα-helixtrans-72.1-26.4-178.463.10000114.2R16 F17 A24 T36R16-S20 PolarHBondContact O-N 3.43Å; R16-S20 VanDerWaalsContact O-N 3.11Å; R16-S20 PolarHBondContact O-OG 3.2Å; F17-S20 PolarHBondContact O-N 3.37Å; F17-S20 PolarHBondContact O-OG 3.11Å; S20-A24 WeakPolarHBondContact O-CB 3.49Å; S20-A24 PolarHBondContact O-N 2.91Å; S20-T36 WeakPolarHBondContact CB-OG1 3.34Å; S20-T36 PolarHBondContact OG-OG1 3.48Å
21T86.1Confident84.4Confident5 Ų572.9 Ų72.93%0.03135%0.348CS..Hα-helixtrans-66.6-42.7167.951.30000111.7F17 T18 K19 A24 L25 L33 L51 A54 F55 V58F17-T21 WeakPolarHBondContact O-CG2 3.41Å; F17-T21 PolarHBondContact O-N 3.38Å; F17-T21 PolarHBondContact O-OG1 3.01Å; F17-T21 VanDerWaalsContact O-OG1 3.14Å; T18-T21 WeakPolarHBondContact CA-OG1 3.43Å; T18-T21 PolarHBondContact O-OG1 3.2Å; K19-T21 PolarHBondContact O-N 2.76Å; T21-A24 PolarHBondContact O-N 2.69Å; T21-L25 WeakPolarHBondContact O-CB 3.31Å; T21-L25 PolarHBondContact O-N 3.18Å; T21-L33 HydrophobicContact CG2-CD1 4.49Å; T21-L33 HydrophobicContact CG2-CD2 3.72Å; T21-L51 HydrophobicContact CG2-CD1 4.02Å; T21-A54 HydrophobicContact CG2-CB 4.47Å; T21-F55 HydrophobicContact CG2-CD1 3.96Å; T21-F55 HydrophobicContact CG2-CD2 4.44Å; T21-F55 HydrophobicContact CG2-CE1 3.88Å; T21-F55 HydrophobicContact CG2-CE2 4.35Å; T21-F55 HydrophobicContact CG2-CG 4.26Å; T21-F55 HydrophobicContact CG2-CZ 4.09Å; T21-V58 WeakPolarHBondContact OG1-CG2 3.19Å
22R85.6Confident84.3Confident92 Ų9270 Ų7035%0.34733%0.329SS..Hα-helixtrans-65.2-40.8175-69.2-174.5-163.8116.3-9.9112.2T18 K19 L25 N26 V58 E61T18-R22 WeakPolarHBondContact O-CG 3.28Å; T18-R22 PolarHBondContact O-N 2.84Å; K19-R22 PolarHBondContact O-N 2.86Å; R22-L25 PolarHBondContact O-N 3.25Å; R22-N26 PolarHBondContact O-N 3.03Å; R22-V58 HydrophobicContact CG-CG1 4.24Å; R22-V58 HydrophobicContact CG-CG2 4.07Å; R22-E61 IonicContact CZ-OE2 2.69Å; R22-E61 IonicContact NE-OE2 2.68Å; R22-E61 PolarHBondContact NE-OE2 2.89Å; R22-E61 IonicContact NH2-OE1 3.95Å; R22-E61 PolarHBondContact NH2-OE1 2.56Å; R22-E61 IonicContact NH2-OE2 3.68Å; R22-E61 PolarHBondContact NH2-OE2 3.42Å
23E84.9Confident84.3Confident104 Ų10463.5 Ų63.549%0.48630%0.299SS..Hα-helixtrans-63.5-39.2172.6-71.9171.4-162.900112.3K19 N27 P32K19-E23 WeakPolarHBondContact O-CG 3.37Å; K19-E23 PolarHBondContact O-N 3.07Å; E23-N27 WeakPolarHBondContact O-CB 3.41Å; E23-N27 PolarHBondContact O-N 3.33Å; E23-N27 VanDerWaalsContact O-N 3.14Å; E23-N27 PolarHBondContact O-ND2 2.95Å; E23-P32 HydrophobicContact CB-CB 4.48Å
24A83.6Confident84.4Confident0 Ų065.7 Ų65.70%031%0.309CS..Hα-helixtrans-67.9-36175.400000112.7S20 T21 K28 N29 L33 L78S20-A24 WeakPolarHBondContact O-CB 3.49Å; S20-A24 PolarHBondContact O-N 2.91Å; T21-A24 PolarHBondContact O-N 2.69Å; A24-K28 CarbonylContact O-C 3.6Å; A24-K28 VanDerWaalsContact O-CA 3.28Å; A24-K28 WeakPolarHBondContact O-CA 3.36Å; A24-K28 PolarHBondContact O-N 3.46Å; A24-N29 WeakPolarHBondContact CA-O 3.25Å; A24-N29 WeakPolarHBondContact CB-O 3.33Å; A24-N29 PolarHBondContact O-N 3.18Å; A24-L33 HydrophobicContact CB-CD1 3.55Å; A24-L33 HydrophobicContact CB-CG 3.9Å; A24-L78 HydrophobicContact CB-CD1 4.18Å
25L83.3Confident84.4Confident14 Ų1462.9 Ų62.97%0.07331%0.307CS..Hα-helixtrans-64-52.1175.3-177.458.6000111.1T21 R22 N27 K28 A74 I75 L78T21-L25 WeakPolarHBondContact O-CB 3.31Å; T21-L25 PolarHBondContact O-N 3.18Å; R22-L25 PolarHBondContact O-N 3.25Å; L25-N27 VanDerWaalsContact C-N 3.29Å; L25-N27 PolarHBondContact O-N 3.28Å; L25-K28 PolarHBondContact O-N 3.36Å; L25-K28 VanDerWaalsContact O-N 3.11Å; L25-A74 HydrophobicContact CD1-CB 3.71Å; L25-I75 HydrophobicContact CD1-CG1 3.8Å; L25-I75 HydrophobicContact CD2-CD1 4.08Å; L25-I75 HydrophobicContact CD2-CG1 4.01Å; L25-I75 HydrophobicContact CG-CG1 4.48Å; L25-L78 HydrophobicContact CB-CD1 4.45Å
26N82Confident84.1Confident137 Ų13759.6 Ų59.673%0.73329%0.287SS*.Hα-helixtrans-59.5-38.9178.6-71.3-16.7000112.6R22R22-N26 PolarHBondContact O-N 3.03Å
27N79.4Confident84Confident111 Ų11155.7 Ų55.759%0.59427%0.273SS*.THydrogen-bonded Turntrans-89.1-2.3179.5-67.7-61.9000114E23 L25 N29E23-N27 WeakPolarHBondContact O-CB 3.41Å; E23-N27 PolarHBondContact O-N 3.33Å; E23-N27 VanDerWaalsContact O-N 3.14Å; E23-N27 PolarHBondContact O-ND2 2.95Å; L25-N27 VanDerWaalsContact C-N 3.29Å; L25-N27 PolarHBondContact O-N 3.28Å; N27-N29 HydrophobicContact CB-CB 4.27Å; N27-N29 WeakPolarHBondContact O-CB 3.48Å; N27-N29 PolarHBondContact O-N 2.98Å; N27-N29 VanDerWaalsContact O-N 3.14Å
28K77.6Confident83.8Confident147 Ų14760.1 Ų60.164%0.63930%0.304SS*.THydrogen-bonded Turntrans43.840.5-170.8-60.6-173.6178.4-174.90113.3A24 L25A24-K28 CarbonylContact O-C 3.6Å; A24-K28 VanDerWaalsContact O-CA 3.28Å; A24-K28 WeakPolarHBondContact O-CA 3.36Å; A24-K28 PolarHBondContact O-N 3.46Å; L25-K28 PolarHBondContact O-N 3.36Å; L25-K28 VanDerWaalsContact O-N 3.11Å
29N81.6Confident83.7Confident65 Ų6564.3 Ų64.335%0.34832%0.322SS..  trans-146.2135.5-168.5-174.2-9.7000111.7A24 N27 K31 P32A24-N29 WeakPolarHBondContact CA-O 3.25Å; A24-N29 WeakPolarHBondContact CB-O 3.33Å; A24-N29 PolarHBondContact O-N 3.18Å; N27-N29 HydrophobicContact CB-CB 4.27Å; N27-N29 WeakPolarHBondContact O-CB 3.48Å; N27-N29 PolarHBondContact O-N 2.98Å; N27-N29 VanDerWaalsContact O-N 3.14Å; N29-K31 WeakPolarHBondContact OD1-CG 3.37Å; N29-K31 PolarHBondContact OD1-N 3.33Å; N29-K31 VanDerWaalsContact OD1-N 3.11Å; N29-P32 VanDerWaalsContact O-CD 3.27Å; N29-P32 WeakPolarHBondContact O-CD 3.22Å
30I82.4Confident83.4Confident26 Ų2658.1 Ų58.113%0.13330%0.295CS..SBendtrans-84.2-11-175.4-158.2163.9000114.9P32 L33 L34 L78 G82 I87I30-P32 VanDerWaalsContact C-CD 3.44Å; I30-L33 HydrophobicContact CG1-CB 4.11Å; I30-L33 HydrophobicContact CG1-CD1 4.17Å; I30-L33 WeakPolarHBondContact O-CB 3.49Å; I30-L33 PolarHBondContact O-N 3.21Å; I30-L34 HydrophobicContact CG2-CD1 4.02Å; I30-L34 PolarHBondContact O-N 2.72Å; I30-L34 VanDerWaalsContact O-N 3.09Å; I30-L78 HydrophobicContact CB-CD2 4.42Å; I30-G82 VanDerWaalsContact CD1-CA 3.43Å; I30-I87 HydrophobicContact CD1-CD1 4.21Å; I30-I87 HydrophobicContact CG1-CD1 4.35Å
31K83.7Confident83Confident148 Ų14860.3 Ų60.364%0.64331%0.309SS*.Hα-helixtrans-53.4-40.8-179.3-69.8178.2-175.3-177.70114.9N29 L33 L34 S35N29-K31 WeakPolarHBondContact OD1-CG 3.37Å; N29-K31 PolarHBondContact OD1-N 3.33Å; N29-K31 VanDerWaalsContact OD1-N 3.11Å; K31-L33 VanDerWaalsContact C-N 3.3Å; K31-L33 PolarHBondContact O-N 3.32Å; K31-L34 PolarHBondContact O-N 2.88Å; K31-S35 PolarHBondContact O-N 3.14Å; K31-S35 PolarHBondContact O-OG 3.29Å
32P82.3Confident82.7Confident25 Ų2561.8 Ų61.816%0.16233%0.326CS..Hα-helixtrans-61.2-37.8175.6-22.835.2000112.8E23 N29 I30 S35 T36E23-P32 HydrophobicContact CB-CB 4.48Å; N29-P32 VanDerWaalsContact O-CD 3.27Å; N29-P32 WeakPolarHBondContact O-CD 3.22Å; I30-P32 VanDerWaalsContact C-CD 3.44Å; P32-S35 PolarHBondContact O-OG 3.46Å; P32-T36 WeakPolarHBondContact O-CB 3.2Å; P32-T36 PolarHBondContact O-N 2.89Å; P32-T36 PolarHBondContact O-OG1 3.16Å
33L83.9Confident82.6Confident0 Ų060.5 Ų60.50%033%0.33CS..Hα-helixtrans-66.5-47.3176.8-78.9162.3000112T21 A24 I30 K31 S35 T36 F37 L51 F55 I87T21-L33 HydrophobicContact CG2-CD1 4.49Å; T21-L33 HydrophobicContact CG2-CD2 3.72Å; A24-L33 HydrophobicContact CB-CD1 3.55Å; A24-L33 HydrophobicContact CB-CG 3.9Å; I30-L33 HydrophobicContact CG1-CB 4.11Å; I30-L33 HydrophobicContact CG1-CD1 4.17Å; I30-L33 WeakPolarHBondContact O-CB 3.49Å; I30-L33 PolarHBondContact O-N 3.21Å; K31-L33 VanDerWaalsContact C-N 3.3Å; K31-L33 PolarHBondContact O-N 3.32Å; L33-S35 VanDerWaalsContact C-N 3.34Å; L33-S35 PolarHBondContact O-N 3.11Å; L33-T36 PolarHBondContact O-N 3.1Å; L33-T36 VanDerWaalsContact O-N 3.14Å; L33-F37 WeakPolarHBondContact O-CB 3.21Å; L33-F37 PolarHBondContact O-N 3.37Å; L33-L51 HydrophobicContact CD2-CD1 3.64Å; L33-F55 HydrophobicContact CD1-CE1 4.38Å; L33-F55 HydrophobicContact CD1-CZ 3.76Å; L33-I87 HydrophobicContact CB-CD1 4.19Å
34L84.8Confident82.5Confident51 Ų5161 Ų6127%0.26733%0.333SS..Hα-helixtrans-58.5-44.6176.2-67169.5000112I30 K31 T36 F37 S38 E85 I87I30-L34 HydrophobicContact CG2-CD1 4.02Å; I30-L34 PolarHBondContact O-N 2.72Å; I30-L34 VanDerWaalsContact O-N 3.09Å; K31-L34 PolarHBondContact O-N 2.88Å; L34-T36 VanDerWaalsContact C-N 3.32Å; L34-T36 PolarHBondContact O-N 2.86Å; L34-F37 PolarHBondContact O-N 3.45Å; L34-S38 PolarHBondContact O-N 2.88Å; L34-S38 PolarHBondContact O-OG 2.76Å; L34-E85 HydrophobicContact CD1-CG 4.36Å; L34-E85 HydrophobicContact CD2-CB 3.79Å; L34-E85 HydrophobicContact CD2-CG 4.21Å; L34-I87 HydrophobicContact CD2-CD1 3.96Å; L34-I87 HydrophobicContact CD2-CG1 4.39Å; L34-I87 HydrophobicContact CD2-CG2 3.78Å
35S84.3Confident82.5Confident52 Ų5266.3 Ų66.336%0.36436%0.361SS..Hα-helixtrans-64.7-36176.5710000112.5K31 P32 L33 S38 Q39K31-S35 PolarHBondContact O-N 3.14Å; K31-S35 PolarHBondContact O-OG 3.29Å; P32-S35 PolarHBondContact O-OG 3.46Å; L33-S35 VanDerWaalsContact C-N 3.34Å; L33-S35 PolarHBondContact O-N 3.11Å; S35-S38 PolarHBondContact O-OG 2.96Å; S35-S38 VanDerWaalsContact O-OG 3.05Å; S35-Q39 WeakPolarHBondContact O-CG 3.47Å; S35-Q39 PolarHBondContact O-N 3.33Å; S35-Q39 PolarHBondContact O-NE2 3.16Å
36T83.4Confident82.6Confident12 Ų1269.9 Ų69.97%0.07438%0.378CS..Hα-helixtrans-72-42177.5-56.90000111.7R16 F17 S20 P32 L33 L34 S38 Q39 V40R16-T36 HydrophobicContact CG-CG2 3.77Å; F17-T36 HydrophobicContact CD1-CG2 3.86Å; F17-T36 HydrophobicContact CE1-CG2 3.94Å; S20-T36 WeakPolarHBondContact CB-OG1 3.34Å; S20-T36 PolarHBondContact OG-OG1 3.48Å; P32-T36 WeakPolarHBondContact O-CB 3.2Å; P32-T36 PolarHBondContact O-N 2.89Å; P32-T36 PolarHBondContact O-OG1 3.16Å; L33-T36 PolarHBondContact O-N 3.1Å; L33-T36 VanDerWaalsContact O-N 3.14Å; L34-T36 VanDerWaalsContact C-N 3.32Å; L34-T36 PolarHBondContact O-N 2.86Å; T36-S38 VanDerWaalsContact C-N 3.32Å; T36-S38 PolarHBondContact O-N 3.25Å; T36-Q39 PolarHBondContact O-N 3.39Å; T36-Q39 VanDerWaalsContact O-N 3.14Å; T36-V40 HydrophobicContact CG2-CG2 4.33Å; T36-V40 WeakPolarHBondContact O-CG2 3.33Å; T36-V40 PolarHBondContact O-N 3.12Å
37F85.1Confident82.9Confident23 Ų2364.8 Ų64.810%0.10135%0.349CS..Hα-helixtrans-61.8-38-179.4-170.3-88.2000112.5F17 L33 L34 K47 K48 L51 I87F17-F37 HydrophobicContact CE1-CB 4.24Å; F17-F37 HydrophobicContact CE1-CD2 4.21Å; F17-F37 HydrophobicContact CZ-CD2 4.13Å; L33-F37 WeakPolarHBondContact O-CB 3.21Å; L33-F37 PolarHBondContact O-N 3.37Å; L34-F37 PolarHBondContact O-N 3.45Å; F37-K47 HydrophobicContact CD2-CB 4.04Å; F37-K47 HydrophobicContact CE1-CD 4.45Å; F37-K47 HydrophobicContact CE2-CB 3.45Å; F37-K47 VanDerWaalsContact CE2-CB 3.45Å; F37-K47 HydrophobicContact CZ-CB 3.79Å; F37-K47 HydrophobicContact CZ-CD 4.37Å; F37-K48 HydrophobicContact CE2-CG 4.25Å; F37-K48 HydrophobicContact CZ-CG 4.2Å; F37-L51 HydrophobicContact CD2-CD2 4.16Å; F37-I87 HydrophobicContact CB-CG2 4.26Å; F37-I87 HydrophobicContact CD1-CB 4.36Å; F37-I87 HydrophobicContact CD1-CG2 3.71Å; F37-I87 HydrophobicContact CD2-CB 3.95Å; F37-I87 HydrophobicContact CD2-CG2 4.17Å; F37-I87 HydrophobicContact CE1-CB 4.49Å; F37-I87 HydrophobicContact CE1-CG2 4.02Å; F37-I87 HydrophobicContact CE2-CB 4.07Å; F37-I87 HydrophobicContact CE2-CG2 4.43Å; F37-I87 WeakPolarHBondContact CE2-O 3.39Å; F37-I87 HydrophobicContact CG-CB 4.1Å; F37-I87 HydrophobicContact CG-CG2 3.79Å; F37-I87 HydrophobicContact CZ-CB 4.35Å; F37-I87 HydrophobicContact CZ-CG2 4.38Å
38S84.1Confident83.3Confident93 Ų9361.3 Ų61.365%0.6533%0.328SS*.Hα-helixtrans-71.6-27.7175.563.20000113.7L34 S35 T36L34-S38 PolarHBondContact O-N 2.88Å; L34-S38 PolarHBondContact O-OG 2.76Å; S35-S38 PolarHBondContact O-OG 2.96Å; S35-S38 VanDerWaalsContact O-OG 3.05Å; T36-S38 VanDerWaalsContact C-N 3.32Å; T36-S38 PolarHBondContact O-N 3.25Å
39Q84.8Confident83.8Confident109 Ų10957.5 Ų57.551%0.50932%0.32SS..Hα-helixtrans-87.1-15.8-177.4-69.3168.512.600114.6S35 T36S35-Q39 WeakPolarHBondContact O-CG 3.47Å; S35-Q39 PolarHBondContact O-N 3.33Å; S35-Q39 PolarHBondContact O-NE2 3.16Å; T36-Q39 PolarHBondContact O-N 3.39Å; T36-Q39 VanDerWaalsContact O-N 3.14Å
40V82.8Confident84.2Confident5 Ų554.6 Ų54.63%0.0330%0.304CS..SBendtrans-84.2130.5178.6170.30000109.5F8 A13 F17 T36 K47F8-V40 HydrophobicContact CD2-CG1 4.27Å; F8-V40 HydrophobicContact CE2-CG1 3.74Å; A13-V40 HydrophobicContact CB-CG1 4.06Å; F17-V40 HydrophobicContact CE1-CG2 4.43Å; F17-V40 HydrophobicContact CE2-CG1 4.2Å; F17-V40 HydrophobicContact CE2-CG2 4.33Å; F17-V40 HydrophobicContact CZ-CB 4.12Å; F17-V40 HydrophobicContact CZ-CG1 4.24Å; F17-V40 HydrophobicContact CZ-CG2 3.99Å; T36-V40 HydrophobicContact CG2-CG2 4.33Å; T36-V40 WeakPolarHBondContact O-CG2 3.33Å; T36-V40 PolarHBondContact O-N 3.12Å; V40-K47 HydrophobicContact CG1-CD 4.43Å; V40-K47 HydrophobicContact CG1-CG 4.21Å; V40-K47 WeakPolarHBondContact O-CE 3.23Å; V40-K47 PolarHBondContact O-NZ 2.74Å
41P77.3Confident84.5Confident48 Ų4853.3 Ų53.331%0.31230%0.298SS..  trans-72.2178.2174.831.9-36.4000112.1P6 F8 K47P6-P41 HydrophobicContact CB-CB 3.96Å; P6-P41 HydrophobicContact CB-CG 4.15Å; P6-P41 HydrophobicContact CG-CB 3.6Å; P6-P41 HydrophobicContact CG-CG 4.3Å; F8-P41 WeakPolarHBondContact CD2-O 3.23Å; P41-K47 WeakPolarHBondContact O-CE 3.22Å
42G79.7Confident84.8Confident36 Ų3647 Ų4737%0.37127%0.271SS..SBendtrans98.6179.3178.600000114.9K47G42-K47 WeakPolarHBondContact O-CE 3.24Å; G42-K47 PolarHBondContact O-NZ 3.23Å
43S83.6Confident85.2Confident64 Ų6450.3 Ų50.345%0.44828%0.284SS..  trans-72.3149.6-179.8-177.90000111.9N45 E46 K47S43-N45 VanDerWaalsContact C-N 3.26Å; S43-N45 PolarHBondContact O-N 3.05Å; S43-E46 WeakPolarHBondContact CB-OE2 3.44Å; S43-E46 PolarHBondContact N-OE2 2.73Å; S43-E46 PolarHBondContact O-N 2.67Å; S43-E46 VanDerWaalsContact O-N 3.16Å; S43-K47 WeakPolarHBondContact O-CG 3.21Å; S43-K47 PolarHBondContact O-N 3.32Å
44E83Confident85.5Confident114 Ų11450.3 Ų50.353%0.53328%0.284SS..Hα-helixtrans-56.9-39.7176.9-73.5-162.4-173.700112.9E46 K47 K48E44-E46 VanDerWaalsContact C-N 3.32Å; E44-E46 PolarHBondContact O-N 3.17Å; E44-K47 PolarHBondContact O-N 3.02Å; E44-K48 WeakPolarHBondContact O-CB 3.46Å; E44-K48 WeakPolarHBondContact O-CD 3.47Å; E44-K48 VanDerWaalsContact O-CG 3.31Å; E44-K48 WeakPolarHBondContact O-CG 3.45Å; E44-K48 PolarHBondContact O-N 2.87Å; E44-K48 IonicContact OE2-NZ 2.98Å; E44-K48 PolarHBondContact OE2-NZ 2.9Å
45N84.4Confident85.8Confident113 Ų11348 Ų4860%0.60427%0.272SS*.Hα-helixtrans-66.7-36.2-179.7-69.8-13.7000111.5S43 K48 C49S43-N45 VanDerWaalsContact C-N 3.26Å; S43-N45 PolarHBondContact O-N 3.05Å; N45-K48 PolarHBondContact O-N 2.91Å; N45-C49 WeakPolarHBondContact O-CB 3.46Å; N45-C49 PolarHBondContact O-N 3.02Å; N45-C49 PolarHBondContact O-SG 3.23Å
46E85.4Confident86.2Confident89 Ų8950.5 Ų50.542%0.41627%0.273SS..Hα-helixtrans-68.9-40.4177-62.9171.5139.800111.2F8 S43 E44 T50F8-E46 HydrophobicContact CD1-CB 3.99Å; F8-E46 HydrophobicContact CE1-CB 3.6Å; F8-E46 HydrophobicContact CE1-CG 4.47Å; F8-E46 HydrophobicContact CZ-CB 4.04Å; S43-E46 WeakPolarHBondContact CB-OE2 3.44Å; S43-E46 PolarHBondContact N-OE2 2.73Å; S43-E46 PolarHBondContact O-N 2.67Å; S43-E46 VanDerWaalsContact O-N 3.16Å; E44-E46 VanDerWaalsContact C-N 3.32Å; E44-E46 PolarHBondContact O-N 3.17Å; E46-T50 WeakPolarHBondContact O-CB 3.21Å; E46-T50 WeakPolarHBondContact O-CG2 3.34Å; E46-T50 PolarHBondContact O-N 3.16Å; E46-T50 PolarHBondContact O-OG1 3.23Å
47K86.7Confident86.5Confident29 Ų2950.4 Ų50.413%0.12628%0.275CS..Hα-helixtrans-65.3-43.2173.5-63-179.6-145.1-174.60112F8 F17 F37 V40 P41 G42 S43 E44 T50 L51F8-K47 HydrophobicContact CE2-CG 4.44Å; F17-K47 HydrophobicContact CZ-CB 4.35Å; F37-K47 HydrophobicContact CD2-CB 4.04Å; F37-K47 HydrophobicContact CE1-CD 4.45Å; F37-K47 HydrophobicContact CE2-CB 3.45Å; F37-K47 VanDerWaalsContact CE2-CB 3.45Å; F37-K47 HydrophobicContact CZ-CB 3.79Å; F37-K47 HydrophobicContact CZ-CD 4.37Å; V40-K47 HydrophobicContact CG1-CD 4.43Å; V40-K47 HydrophobicContact CG1-CG 4.21Å; V40-K47 WeakPolarHBondContact O-CE 3.23Å; V40-K47 PolarHBondContact O-NZ 2.74Å; P41-K47 WeakPolarHBondContact O-CE 3.22Å; G42-K47 WeakPolarHBondContact O-CE 3.24Å; G42-K47 PolarHBondContact O-NZ 3.23Å; S43-K47 WeakPolarHBondContact O-CG 3.21Å; S43-K47 PolarHBondContact O-N 3.32Å; E44-K47 PolarHBondContact O-N 3.02Å; K47-T50 WeakPolarHBondContact CA-OG1 3.44Å; K47-T50 PolarHBondContact O-N 3.48Å; K47-T50 PolarHBondContact O-OG1 3.38Å; K47-T50 VanDerWaalsContact O-OG1 3.12Å; K47-L51 VanDerWaalsContact O-CB 3.24Å; K47-L51 WeakPolarHBondContact O-CB 3.5Å; K47-L51 PolarHBondContact O-N 2.83Å
48K88.5Confident86.7Confident38 Ų3849.4 Ų49.417%0.16527%0.271CS..Hα-helixtrans-58.1-55.3174.7-79.6158.9177.9165.80110.5F37 E44 N45 T50 L51 D52 G86 I87F37-K48 HydrophobicContact CE2-CG 4.25Å; F37-K48 HydrophobicContact CZ-CG 4.2Å; E44-K48 WeakPolarHBondContact O-CB 3.46Å; E44-K48 WeakPolarHBondContact O-CD 3.47Å; E44-K48 VanDerWaalsContact O-CG 3.31Å; E44-K48 WeakPolarHBondContact O-CG 3.45Å; E44-K48 PolarHBondContact O-N 2.87Å; E44-K48 IonicContact OE2-NZ 2.98Å; E44-K48 PolarHBondContact OE2-NZ 2.9Å; N45-K48 PolarHBondContact O-N 2.91Å; K48-T50 PolarHBondContact O-N 2.88Å; K48-L51 PolarHBondContact O-N 3.14Å; K48-D52 WeakPolarHBondContact O-CB 3.4Å; K48-D52 PolarHBondContact O-N 3.25Å; K48-D52 VanDerWaalsContact O-OD2 3.11Å; K48-G86 WeakPolarHBondContact CE-O 3.43Å; K48-G86 PolarHBondContact NZ-O 3.07Å; K48-I87 VanDerWaalsContact CG-O 3.28Å; K48-I87 WeakPolarHBondContact CG-O 3.49Å
49C88.7Confident87Confident68 Ų6845.1 Ų45.146%0.45924%0.241SC..Hα-helixtrans-60-40.6178.9-70.60000113.6N45 D52 Q53N45-C49 WeakPolarHBondContact O-CB 3.46Å; N45-C49 PolarHBondContact O-N 3.02Å; N45-C49 PolarHBondContact O-SG 3.23Å; C49-D52 PolarHBondContact O-N 3.38Å; C49-Q53 WeakPolarHBondContact O-CG 3.24Å; C49-Q53 PolarHBondContact O-N 3.41Å
50T89Confident87.4Confident3 Ų345.6 Ų45.62%0.01824%0.243CC..Hα-helixtrans-71.2-33.3177.3460000112.9F8 L10 E46 K47 K48 A54F8-T50 HydrophobicContact CE1-CG2 4.08Å; F8-T50 HydrophobicContact CZ-CG2 3.8Å; L10-T50 HydrophobicContact CD2-CG2 3.61Å; E46-T50 WeakPolarHBondContact O-CB 3.21Å; E46-T50 WeakPolarHBondContact O-CG2 3.34Å; E46-T50 PolarHBondContact O-N 3.16Å; E46-T50 PolarHBondContact O-OG1 3.23Å; K47-T50 WeakPolarHBondContact CA-OG1 3.44Å; K47-T50 PolarHBondContact O-N 3.48Å; K47-T50 PolarHBondContact O-OG1 3.38Å; K47-T50 VanDerWaalsContact O-OG1 3.12Å; K48-T50 PolarHBondContact O-N 2.88Å; T50-A54 WeakPolarHBondContact O-CB 3.27Å; T50-A54 PolarHBondContact O-N 3.31Å
51L89.5Confident87.6Confident0 Ų049 Ų490%026%0.259CS..Hα-helixtrans-69.9-42172.2177.756.3000111.6F17 T21 L33 F37 K47 K48 Q53 A54 F55 I87F17-L51 HydrophobicContact CB-CD1 4.22Å; F17-L51 HydrophobicContact CD1-CB 4.44Å; F17-L51 HydrophobicContact CD1-CD1 4Å; F17-L51 HydrophobicContact CD2-CB 4.47Å; F17-L51 HydrophobicContact CG-CB 4.39Å; F17-L51 HydrophobicContact CG-CD1 4.23Å; T21-L51 HydrophobicContact CG2-CD1 4.02Å; L33-L51 HydrophobicContact CD2-CD1 3.64Å; F37-L51 HydrophobicContact CD2-CD2 4.16Å; K47-L51 VanDerWaalsContact O-CB 3.24Å; K47-L51 WeakPolarHBondContact O-CB 3.5Å; K47-L51 PolarHBondContact O-N 2.83Å; K48-L51 PolarHBondContact O-N 3.14Å; L51-Q53 VanDerWaalsContact C-N 3.28Å; L51-Q53 PolarHBondContact O-N 2.73Å; L51-A54 WeakPolarHBondContact O-CA 3.5Å; L51-A54 WeakPolarHBondContact O-CB 3.4Å; L51-A54 PolarHBondContact O-N 2.75Å; L51-F55 HydrophobicContact CD1-CD2 3.87Å; L51-F55 HydrophobicContact CD1-CE2 3.6Å; L51-F55 HydrophobicContact CD1-CZ 4.44Å; L51-F55 HydrophobicContact CD2-CE2 4.19Å; L51-F55 HydrophobicContact CG-CD2 3.93Å; L51-F55 HydrophobicContact CG-CE2 3.72Å; L51-F55 WeakPolarHBondContact O-CD2 3.48Å; L51-F55 PolarHBondContact O-N 2.97Å; L51-I87 HydrophobicContact CD2-CB 4.38Å; L51-I87 HydrophobicContact CD2-CD1 4.05Å; L51-I87 HydrophobicContact CD2-CG1 4.31Å
52D90.3Very high88.1Confident14 Ų1448.2 Ų48.28%0.07525%0.25CS..Hα-helixtrans-59.2-39.9174.7-63.6-36.1000111.1K48 C49 R56 T89 T92K48-D52 WeakPolarHBondContact O-CB 3.4Å; K48-D52 PolarHBondContact O-N 3.25Å; K48-D52 VanDerWaalsContact O-OD2 3.11Å; C49-D52 PolarHBondContact O-N 3.38Å; D52-R56 PolarHBondContact O-N 3.43Å; D52-R56 VanDerWaalsContact O-N 3.15Å; D52-T89 PolarHBondContact OD1-N 2.93Å; D52-T89 VanDerWaalsContact OD2-CB 3.25Å; D52-T89 WeakPolarHBondContact OD2-CB 3.4Å; D52-T89 PolarHBondContact OD2-OG1 3.01Å; D52-T92 HydrophobicContact CB-CG2 4.13Å; D52-T92 WeakPolarHBondContact OD1-CB 3.23Å; D52-T92 WeakPolarHBondContact OD1-CG2 3.3Å; D52-T92 PolarHBondContact OD1-OG1 3.3Å; D52-T92 PolarHBondContact OD2-OG1 3.05Å
53Q89.9Confident88.5Confident95 Ų9547.9 Ų47.944%0.44424%0.24SC..Hα-helixtrans-68.3-34.2171.7-73177.88.100113.4C49 L51 R56 G57C49-Q53 WeakPolarHBondContact O-CG 3.24Å; C49-Q53 PolarHBondContact O-N 3.41Å; L51-Q53 VanDerWaalsContact C-N 3.28Å; L51-Q53 PolarHBondContact O-N 2.73Å; Q53-R56 PolarHBondContact O-N 3.04Å; Q53-G57 PolarHBondContact O-N 3.21Å
54A91Very high88.7Confident0 Ų050.2 Ų50.20%025%0.246CC..Hα-helixtrans-68.1-37.6175.600000111.8F17 T18 T21 T50 L51 V58F17-A54 HydrophobicContact CB-CB 3.7Å; T18-A54 HydrophobicContact CG2-CB 3.69Å; T21-A54 HydrophobicContact CG2-CB 4.47Å; T50-A54 WeakPolarHBondContact O-CB 3.27Å; T50-A54 PolarHBondContact O-N 3.31Å; L51-A54 WeakPolarHBondContact O-CA 3.5Å; L51-A54 WeakPolarHBondContact O-CB 3.4Å; L51-A54 PolarHBondContact O-N 2.75Å; A54-V58 WeakPolarHBondContact O-CG2 3.32Å; A54-V58 PolarHBondContact O-N 2.62Å; A54-V58 VanDerWaalsContact O-N 3.12Å
55F90.9Very high88.8Confident4 Ų450 Ų502%0.01825%0.249CC..Hα-helixtrans-62.9-46.6171.5-83.4-66.6000112.1T21 L33 L51 G57 V58 L59 I75 L78 C88 L96T21-F55 HydrophobicContact CG2-CD1 3.96Å; T21-F55 HydrophobicContact CG2-CD2 4.44Å; T21-F55 HydrophobicContact CG2-CE1 3.88Å; T21-F55 HydrophobicContact CG2-CE2 4.35Å; T21-F55 HydrophobicContact CG2-CG 4.26Å; T21-F55 HydrophobicContact CG2-CZ 4.09Å; L33-F55 HydrophobicContact CD1-CE1 4.38Å; L33-F55 HydrophobicContact CD1-CZ 3.76Å; L51-F55 HydrophobicContact CD1-CD2 3.87Å; L51-F55 HydrophobicContact CD1-CE2 3.6Å; L51-F55 HydrophobicContact CD1-CZ 4.44Å; L51-F55 HydrophobicContact CD2-CE2 4.19Å; L51-F55 HydrophobicContact CG-CD2 3.93Å; L51-F55 HydrophobicContact CG-CE2 3.72Å; L51-F55 WeakPolarHBondContact O-CD2 3.48Å; L51-F55 PolarHBondContact O-N 2.97Å; F55-G57 PolarHBondContact O-N 3.08Å; F55-V58 PolarHBondContact O-N 2.6Å; F55-L59 VanDerWaalsContact O-CB 3.26Å; F55-L59 WeakPolarHBondContact O-CB 2.92Å; F55-L59 PolarHBondContact O-N 3.45Å; F55-I75 HydrophobicContact CD1-CG2 4.01Å; F55-L78 HydrophobicContact CE1-CB 4.2Å; F55-C88 VanDerWaalsContact CE2-SG 3.53Å; F55-L96 HydrophobicContact CB-CD1 4.05Å; F55-L96 HydrophobicContact CB-CD2 4.36Å
56R91.5Very high88.4Confident103 Ų10352.6 Ų52.639%0.38926%0.257SS..Hα-helixtrans-60.1-44.9175.9-70.6-176.8-162.7-136.412.5112.6D52 Q53 V58 L59 E60 V95 L96 D99D52-R56 PolarHBondContact O-N 3.43Å; D52-R56 VanDerWaalsContact O-N 3.15Å; Q53-R56 PolarHBondContact O-N 3.04Å; R56-V58 PolarHBondContact O-N 3.03Å; R56-L59 WeakPolarHBondContact O-CB 3.28Å; R56-L59 PolarHBondContact O-N 2.97Å; R56-E60 WeakPolarHBondContact O-CB 3.43Å; R56-E60 PolarHBondContact O-N 3.35Å; R56-V95 VanDerWaalsContact CZ-CG1 3.49Å; R56-V95 VanDerWaalsContact NH1-CG1 3.26Å; R56-L96 HydrophobicContact CB-CD2 4.27Å; R56-L96 HydrophobicContact CG-CD2 3.56Å; R56-D99 IonicContact NH1-OD2 2.68Å
57G90.9Very high87.6Confident10 Ų1050 Ų5010%0.10325%0.248CC..Hα-helixtrans-64.9-39.2-179.600000113.6Q53 F55 E61Q53-G57 PolarHBondContact O-N 3.21Å; F55-G57 PolarHBondContact O-N 3.08Å; G57-E61 WeakPolarHBondContact O-CG 3.48Å; G57-E61 PolarHBondContact O-N 3.36Å; G57-E61 VanDerWaalsContact O-N 3.08Å
58V89.6Confident87Confident3 Ų351.6 Ų51.62%0.01826%0.263CS..Hα-helixtrans-71.4-35.1174.9172.80000111.4T18 T21 R22 A54 F55 R56 E61 E62 I75T18-V58 HydrophobicContact CG2-CG2 4.42Å; T21-V58 WeakPolarHBondContact OG1-CG2 3.19Å; R22-V58 HydrophobicContact CG-CG1 4.24Å; R22-V58 HydrophobicContact CG-CG2 4.07Å; A54-V58 WeakPolarHBondContact O-CG2 3.32Å; A54-V58 PolarHBondContact O-N 2.62Å; A54-V58 VanDerWaalsContact O-N 3.12Å; F55-V58 PolarHBondContact O-N 2.6Å; R56-V58 PolarHBondContact O-N 3.03Å; V58-E61 PolarHBondContact O-N 3.04Å; V58-E62 WeakPolarHBondContact O-CG 3.42Å; V58-E62 PolarHBondContact O-N 3.39Å; V58-E62 VanDerWaalsContact O-N 3.07Å; V58-I75 HydrophobicContact CG1-CD1 4.08Å
59L90.2Very high86.4Confident3 Ų351.3 Ų51.32%0.01627%0.266CS..Hα-helixtrans-64-44.1173.6-178.871.4000112.2F55 R56 E62 I63 V72 I75 L96 V100F55-L59 VanDerWaalsContact O-CB 3.26Å; F55-L59 WeakPolarHBondContact O-CB 2.92Å; F55-L59 PolarHBondContact O-N 3.45Å; R56-L59 WeakPolarHBondContact O-CB 3.28Å; R56-L59 PolarHBondContact O-N 2.97Å; L59-E62 PolarHBondContact O-N 2.73Å; L59-I63 HydrophobicContact CD1-CD1 4.44Å; L59-I63 HydrophobicContact CG-CD1 3.99Å; L59-I63 VanDerWaalsContact O-CG1 3.32Å; L59-I63 WeakPolarHBondContact O-CG1 3.31Å; L59-I63 PolarHBondContact O-N 3.17Å; L59-V72 HydrophobicContact CD1-CG1 4Å; L59-V72 HydrophobicContact CD1-CG2 4.39Å; L59-I75 HydrophobicContact CD1-CD1 4.29Å; L59-I75 HydrophobicContact CD1-CG2 4.4Å; L59-L96 HydrophobicContact CB-CD2 4.39Å; L59-L96 HydrophobicContact CD2-CB 3.99Å; L59-L96 HydrophobicContact CD2-CD2 3.49Å; L59-L96 VanDerWaalsContact CD2-CD2 3.49Å; L59-L96 HydrophobicContact CD2-CG 4.33Å; L59-V100 HydrophobicContact CD1-CG2 3.65Å; L59-V100 HydrophobicContact CD2-CG2 3.74Å; L59-V100 HydrophobicContact CG-CG2 4.07Å
60E91.8Very high85.9Confident118 Ų11854.6 Ų54.655%0.55127%0.274SS*.Hα-helixtrans-59.1-45.5175.4-178.6179.9-170.200111.2R56 E62 I63 I64R56-E60 WeakPolarHBondContact O-CB 3.43Å; R56-E60 PolarHBondContact O-N 3.35Å; E60-E62 PolarHBondContact O-N 3.41Å; E60-I63 PolarHBondContact O-N 2.86Å; E60-I64 HydrophobicContact CG-CD1 3.9Å; E60-I64 WeakPolarHBondContact O-CB 3.38Å; E60-I64 VanDerWaalsContact O-CG1 3.26Å; E60-I64 WeakPolarHBondContact O-CG1 3.48Å; E60-I64 PolarHBondContact O-N 3.33Å
61E88.9Confident85.7Confident78 Ų7857 Ų5736%0.36429%0.287SS..Hα-helixtrans-57.3-47.1172.9-74.1172.5-174.600112.1R22 G57 V58 I63 I64 N65R22-E61 IonicContact CZ-OE2 2.69Å; R22-E61 IonicContact NE-OE2 2.68Å; R22-E61 PolarHBondContact NE-OE2 2.89Å; R22-E61 IonicContact NH2-OE1 3.95Å; R22-E61 PolarHBondContact NH2-OE1 2.56Å; R22-E61 IonicContact NH2-OE2 3.68Å; R22-E61 PolarHBondContact NH2-OE2 3.42Å; G57-E61 WeakPolarHBondContact O-CG 3.48Å; G57-E61 PolarHBondContact O-N 3.36Å; G57-E61 VanDerWaalsContact O-N 3.08Å; V58-E61 PolarHBondContact O-N 3.04Å; E61-I63 PolarHBondContact O-N 2.87Å; E61-I64 PolarHBondContact O-N 3.07Å; E61-N65 VanDerWaalsContact O-CB 3.32Å; E61-N65 WeakPolarHBondContact O-CB 3.48Å; E61-N65 PolarHBondContact O-N 2.76Å; E61-N65 PolarHBondContact O-ND2 3.34Å
62E86.7Confident85.4Confident30 Ų3057.2 Ų57.214%0.1429%0.288CS..Hα-helixtrans-66.8-34.7179.2-69-64.7116.600113.2V58 L59 E60 H66 S67 N71 I75V58-E62 WeakPolarHBondContact O-CG 3.42Å; V58-E62 PolarHBondContact O-N 3.39Å; V58-E62 VanDerWaalsContact O-N 3.07Å; L59-E62 PolarHBondContact O-N 2.73Å; E60-E62 PolarHBondContact O-N 3.41Å; E62-H66 PolarHBondContact O-N 3.29Å; E62-S67 VanDerWaalsContact CD-OG 3.31Å; E62-S67 WeakPolarHBondContact O-CB 3.37Å; E62-S67 PolarHBondContact O-N 3.12Å; E62-S67 WeakPolarHBondContact OE2-CB 3.25Å; E62-S67 PolarHBondContact OE2-OG 2.97Å; E62-N71 WeakPolarHBondContact OE2-CB 3.29Å; E62-N71 PolarHBondContact OE2-ND2 3.44Å; E62-I75 HydrophobicContact CB-CD1 4.49Å; E62-I75 HydrophobicContact CG-CD1 3.9Å
63I87.3Confident85.2Confident29 Ų2958.1 Ų58.115%0.14929%0.293CS..Hα-helixtrans-67.2-46.5174.9-69.6167.6000110.3L59 E60 E61 N65 H66 V100 C103L59-I63 HydrophobicContact CD1-CD1 4.44Å; L59-I63 HydrophobicContact CG-CD1 3.99Å; L59-I63 VanDerWaalsContact O-CG1 3.32Å; L59-I63 WeakPolarHBondContact O-CG1 3.31Å; L59-I63 PolarHBondContact O-N 3.17Å; E60-I63 PolarHBondContact O-N 2.86Å; E61-I63 PolarHBondContact O-N 2.87Å; I63-N65 VanDerWaalsContact C-N 3.31Å; I63-N65 PolarHBondContact O-N 3.17Å; I63-H66 PolarHBondContact O-N 3.47Å; I63-H66 VanDerWaalsContact O-N 3.15Å; I63-V100 HydrophobicContact CD1-CG2 4.21Å; I63-C103 HydrophobicContact CD1-CB 4.3Å; I63-C103 HydrophobicContact CG2-CB 3.9Å
64I87.8Confident85Confident113 Ų11354.2 Ų54.258%0.57928%0.277SS*.Hα-helixtrans-63.1-37.9178.1-69.5167.2000111.3E60 E61 H66E60-I64 HydrophobicContact CG-CD1 3.9Å; E60-I64 WeakPolarHBondContact O-CB 3.38Å; E60-I64 VanDerWaalsContact O-CG1 3.26Å; E60-I64 WeakPolarHBondContact O-CG1 3.48Å; E60-I64 PolarHBondContact O-N 3.33Å; E61-I64 PolarHBondContact O-N 3.07Å; I64-H66 PolarHBondContact O-N 3.01Å
65N85.7Confident84.9Confident109 Ų10954.4 Ų54.458%0.58328%0.278SS*.THydrogen-bonded Turntrans-74-2.7178.4-69.4-27.7000113.8E61 I63 S67E61-N65 VanDerWaalsContact O-CB 3.32Å; E61-N65 WeakPolarHBondContact O-CB 3.48Å; E61-N65 PolarHBondContact O-N 2.76Å; E61-N65 PolarHBondContact O-ND2 3.34Å; I63-N65 VanDerWaalsContact C-N 3.31Å; I63-N65 PolarHBondContact O-N 3.17Å; N65-S67 PolarHBondContact O-N 2.77Å
66H75.6Confident84.8Confident169 Ų16954.2 Ų54.278%0.78228%0.277SS*.THydrogen-bonded Turntrans50.638.4-170.5-63.4-62.7000112.9E62 I63 I64E62-H66 PolarHBondContact O-N 3.29Å; I63-H66 PolarHBondContact O-N 3.47Å; I63-H66 VanDerWaalsContact O-N 3.15Å; I64-H66 PolarHBondContact O-N 3.01Å
67S69.4Low84.6Confident33 Ų3352 Ų5223%0.23128%0.277CS..  trans-60.5160.2177-74.80000112.2E62 N65E62-S67 VanDerWaalsContact CD-OG 3.31Å; E62-S67 WeakPolarHBondContact O-CB 3.37Å; E62-S67 PolarHBondContact O-N 3.12Å; E62-S67 WeakPolarHBondContact OE2-CB 3.25Å; E62-S67 PolarHBondContact OE2-OG 2.97Å; N65-S67 PolarHBondContact O-N 2.77Å
68S74.9Confident84.5Confident64 Ų6452.1 Ų52.145%0.44828%0.275SS..  trans-57.8142.9178.166.50000111.8E70 N71S68-E70 PolarHBondContact O-N 3.39Å; S68-N71 PolarHBondContact O-N 2.9Å
69C74.6Confident84.4Confident31 Ų3152 Ų5221%0.20928%0.275CS..Hα-helixtrans-56.9-24.2176.5-50.70000112.1V72 L73C69-V72 PolarHBondContact O-N 3.05Å; C69-L73 WeakPolarHBondContact O-CB 3.17Å; C69-L73 VanDerWaalsContact O-CG 3.26Å; C69-L73 WeakPolarHBondContact O-CG 3.37Å; C69-L73 PolarHBondContact O-N 3.34Å
70E79.6Confident84.4Confident138 Ų13852.7 Ų52.765%0.64528%0.278SS*.Hα-helixtrans-61.2-39.2173.3-62.8-169.7-172.300113.6S68 A74S68-E70 PolarHBondContact O-N 3.39Å; E70-A74 VanDerWaalsContact O-CB 3.28Å; E70-A74 WeakPolarHBondContact O-CB 3.41Å; E70-A74 PolarHBondContact O-N 3.46Å
71N83Confident84.1Confident54 Ų5448 Ų4829%0.28926%0.262SS..Hα-helixtrans-66.2-45.6176.7-79.13.7000110.7E62 S68 L73 A74 I75E62-N71 WeakPolarHBondContact OE2-CB 3.29Å; E62-N71 PolarHBondContact OE2-ND2 3.44Å; S68-N71 PolarHBondContact O-N 2.9Å; N71-L73 PolarHBondContact O-N 2.8Å; N71-A74 WeakPolarHBondContact O-CB 3.43Å; N71-A74 PolarHBondContact O-N 2.9Å; N71-I75 WeakPolarHBondContact O-CG1 3.41Å; N71-I75 PolarHBondContact O-N 3.26Å
72V84.2Confident83.8Confident4 Ų444.3 Ų44.32%0.02424%0.244CC..Hα-helixtrans-57.2-50.2175.81700000110.6L59 C69 A74 I75 I76 V100L59-V72 HydrophobicContact CD1-CG1 4Å; L59-V72 HydrophobicContact CD1-CG2 4.39Å; C69-V72 PolarHBondContact O-N 3.05Å; V72-A74 VanDerWaalsContact C-N 3.33Å; V72-A74 PolarHBondContact O-N 3.3Å; V72-I75 WeakPolarHBondContact O-CB 3.5Å; V72-I75 PolarHBondContact O-N 3.2Å; V72-I76 WeakPolarHBondContact O-CG1 3.43Å; V72-I76 PolarHBondContact O-N 3.17Å; V72-I76 VanDerWaalsContact O-N 3.11Å; V72-V100 HydrophobicContact CG1-CB 4.33Å; V72-V100 HydrophobicContact CG1-CG1 3.71Å; V72-V100 HydrophobicContact CG1-CG2 3.52Å
73L85.6Confident83.8Confident32 Ų3243.3 Ų43.317%0.16824%0.24CC..Hα-helixtrans-63.8-35.6177.3-68.4179.1000112.8C69 N71 I76 S77 I112 F115C69-L73 WeakPolarHBondContact O-CB 3.17Å; C69-L73 VanDerWaalsContact O-CG 3.26Å; C69-L73 WeakPolarHBondContact O-CG 3.37Å; C69-L73 PolarHBondContact O-N 3.34Å; N71-L73 PolarHBondContact O-N 2.8Å; L73-I76 PolarHBondContact O-N 3.17Å; L73-S77 PolarHBondContact O-N 3.4Å; L73-I112 HydrophobicContact CD2-CB 4.37Å; L73-I112 HydrophobicContact CD2-CG1 4.09Å; L73-I112 HydrophobicContact CD2-CG2 4.06Å; L73-I112 HydrophobicContact CG-CG1 4.44Å; L73-F115 HydrophobicContact CB-CD2 4.44Å; L73-F115 HydrophobicContact CD1-CB 4.01Å; L73-F115 HydrophobicContact CD1-CD2 4.33Å; L73-F115 HydrophobicContact CD1-CG 4.28Å; L73-F115 HydrophobicContact CD2-CB 3.76Å; L73-F115 HydrophobicContact CD2-CD1 3.64Å; L73-F115 HydrophobicContact CD2-CD2 4.15Å; L73-F115 HydrophobicContact CD2-CE1 4.22Å; L73-F115 HydrophobicContact CD2-CG 3.6Å; L73-F115 HydrophobicContact CG-CG 4.4Å
74A86.9Confident83.7Confident13 Ų1346.4 Ų46.411%0.10726%0.26CS..Hα-helixtrans-62.7-43.3173.400000111.8L25 E70 N71 V72 I76 S77 L78L25-A74 HydrophobicContact CD1-CB 3.71Å; E70-A74 VanDerWaalsContact O-CB 3.28Å; E70-A74 WeakPolarHBondContact O-CB 3.41Å; E70-A74 PolarHBondContact O-N 3.46Å; N71-A74 WeakPolarHBondContact O-CB 3.43Å; N71-A74 PolarHBondContact O-N 2.9Å; V72-A74 VanDerWaalsContact C-N 3.33Å; V72-A74 PolarHBondContact O-N 3.3Å; A74-I76 PolarHBondContact O-N 2.95Å; A74-S77 PolarHBondContact O-N 3.11Å; A74-S77 PolarHBondContact O-OG 2.74Å; A74-L78 WeakPolarHBondContact O-CG 3.5Å; A74-L78 PolarHBondContact O-N 3.45Å
75I87.3Confident83.6Confident4 Ų446.6 Ų46.62%0.02126%0.259CS..Hα-helixtrans-58.1-47.2173.7-66.1168.5000111L25 F55 V58 L59 E62 N71 V72 S77 L78 A79L25-I75 HydrophobicContact CD1-CG1 3.8Å; L25-I75 HydrophobicContact CD2-CD1 4.08Å; L25-I75 HydrophobicContact CD2-CG1 4.01Å; L25-I75 HydrophobicContact CG-CG1 4.48Å; F55-I75 HydrophobicContact CD1-CG2 4.01Å; V58-I75 HydrophobicContact CG1-CD1 4.08Å; L59-I75 HydrophobicContact CD1-CD1 4.29Å; L59-I75 HydrophobicContact CD1-CG2 4.4Å; E62-I75 HydrophobicContact CB-CD1 4.49Å; E62-I75 HydrophobicContact CG-CD1 3.9Å; N71-I75 WeakPolarHBondContact O-CG1 3.41Å; N71-I75 PolarHBondContact O-N 3.26Å; V72-I75 WeakPolarHBondContact O-CB 3.5Å; V72-I75 PolarHBondContact O-N 3.2Å; I75-S77 VanDerWaalsContact C-N 3.34Å; I75-S77 PolarHBondContact O-N 2.95Å; I75-L78 PolarHBondContact O-N 2.96Å; I75-A79 PolarHBondContact O-N 2.86Å
76I88.6Confident83.5Confident0 Ų043.2 Ų43.20%025%0.25CC..Hα-helixtrans-60.2-43.8177-57.4-55.2000110.9V72 L73 A74 L78 A79 I80 L96 L97 F115V72-I76 WeakPolarHBondContact O-CG1 3.43Å; V72-I76 PolarHBondContact O-N 3.17Å; V72-I76 VanDerWaalsContact O-N 3.11Å; L73-I76 PolarHBondContact O-N 3.17Å; A74-I76 PolarHBondContact O-N 2.95Å; I76-L78 VanDerWaalsContact C-N 3.33Å; I76-L78 PolarHBondContact O-N 3.34Å; I76-A79 WeakPolarHBondContact O-CB 3.44Å; I76-A79 PolarHBondContact O-N 2.99Å; I76-I80 HydrophobicContact CG2-CD1 4.1Å; I76-I80 HydrophobicContact CG2-CG1 4.5Å; I76-I80 WeakPolarHBondContact O-CG1 3.39Å; I76-I80 PolarHBondContact O-N 3.41Å; I76-L96 HydrophobicContact CD1-CB 3.36Å; I76-L96 HydrophobicContact CD1-CD1 4.3Å; I76-L96 HydrophobicContact CD1-CG 4.44Å; I76-L97 HydrophobicContact CD1-CD2 4.36Å; I76-L97 HydrophobicContact CD1-CG 4.16Å; I76-L97 HydrophobicContact CG1-CD2 3.99Å; I76-L97 HydrophobicContact CG1-CG 4.23Å; I76-L97 HydrophobicContact CG2-CD1 4.06Å; I76-L97 HydrophobicContact CG2-CD2 4.05Å; I76-L97 HydrophobicContact CG2-CG 3.85Å; I76-F115 HydrophobicContact CB-CE1 4.45Å; I76-F115 HydrophobicContact CG2-CE1 4.02Å
77S88.8Confident83.9Confident56 Ų5635.5 Ų35.539%0.39222%0.215SC..Hα-helixtrans-63.3-36.4177.975.50000113.3L73 A74 I75 I80 G81L73-S77 PolarHBondContact O-N 3.4Å; A74-S77 PolarHBondContact O-N 3.11Å; A74-S77 PolarHBondContact O-OG 2.74Å; I75-S77 VanDerWaalsContact C-N 3.34Å; I75-S77 PolarHBondContact O-N 2.95Å; S77-I80 PolarHBondContact O-N 3.31Å; S77-G81 PolarHBondContact O-N 2.91Å
78L88.1Confident84.6Confident13 Ų1334.3 Ų34.37%0.06821%0.206CC..Hα-helixtrans-68.4-37.9174-72.9170.3000111.3A24 L25 I30 F55 A74 I75 I76 G81 G82A24-L78 HydrophobicContact CB-CD1 4.18Å; L25-L78 HydrophobicContact CB-CD1 4.45Å; I30-L78 HydrophobicContact CB-CD2 4.42Å; F55-L78 HydrophobicContact CE1-CB 4.2Å; A74-L78 WeakPolarHBondContact O-CG 3.5Å; A74-L78 PolarHBondContact O-N 3.45Å; I75-L78 PolarHBondContact O-N 2.96Å; I76-L78 VanDerWaalsContact C-N 3.33Å; I76-L78 PolarHBondContact O-N 3.34Å; L78-G81 PolarHBondContact O-N 2.79Å; L78-G82 PolarHBondContact O-N 2.99Å
79A88.3Confident85.3Confident0 Ų033.7 Ų33.70%020%0.199CC..Hα-helixtrans-65.3-40.8173.800000112.1I75 I76 G82 V83 P93 L96I75-A79 PolarHBondContact O-N 2.86Å; I76-A79 WeakPolarHBondContact O-CB 3.44Å; I76-A79 PolarHBondContact O-N 2.99Å; A79-G82 PolarHBondContact O-N 3.35Å; A79-G82 VanDerWaalsContact O-N 3.17Å; A79-V83 WeakPolarHBondContact O-CG2 3.17Å; A79-V83 PolarHBondContact O-N 3.19Å; A79-P93 HydrophobicContact CB-CB 4.31Å; A79-L96 HydrophobicContact CB-CD1 3.78Å
80I88.5Confident85.8Confident19 Ų1933.3 Ų33.310%0.09720%0.199CC..Hα-helixtrans-59-47.9171.7-67.4166.8000110.3I76 S77 G82 V83 T84 P93 T122 W123 F128I76-I80 HydrophobicContact CG2-CD1 4.1Å; I76-I80 HydrophobicContact CG2-CG1 4.5Å; I76-I80 WeakPolarHBondContact O-CG1 3.39Å; I76-I80 PolarHBondContact O-N 3.41Å; S77-I80 PolarHBondContact O-N 3.31Å; I80-G82 VanDerWaalsContact C-N 3.26Å; I80-G82 PolarHBondContact O-N 3.15Å; I80-V83 PolarHBondContact O-N 3.42Å; I80-V83 VanDerWaalsContact O-N 3.16Å; I80-T84 PolarHBondContact O-N 3.44Å; I80-P93 HydrophobicContact CG1-CB 3.9Å; I80-P93 HydrophobicContact CG1-CG 4.32Å; I80-T122 HydrophobicContact CG2-CG2 3.82Å; I80-W123 HydrophobicContact CD1-CH2 3.57Å; I80-W123 HydrophobicContact CD1-CZ2 4.15Å; I80-W123 HydrophobicContact CD1-CZ3 4.14Å; I80-W123 HydrophobicContact CG1-CH2 4.03Å; I80-W123 HydrophobicContact CG1-CZ3 4.22Å; I80-F128 HydrophobicContact CG2-CZ 3.97Å
81G85.5Confident86.3Confident19 Ų1928.2 Ų28.220%0.19618%0.178CC..Hα-helixtrans-58.3-37.1174.300000113S77 L78 V83 T84 E85S77-G81 PolarHBondContact O-N 2.91Å; L78-G81 PolarHBondContact O-N 2.79Å; G81-V83 VanDerWaalsContact C-N 3.33Å; G81-V83 PolarHBondContact O-N 3.34Å; G81-T84 WeakPolarHBondContact CA-OG1 3.27Å; G81-T84 PolarHBondContact O-N 3.01Å; G81-T84 PolarHBondContact O-OG1 3.29Å; G81-E85 WeakPolarHBondContact O-CG 3.42Å; G81-E85 PolarHBondContact O-N 2.68Å
82G84.3Confident86.7Confident0 Ų025.8 Ų25.80%017%0.166CC..Hα-helixtrans-67.9-32.7177.600000113.1I30 L78 A79 I80 G86 I87 C88I30-G82 VanDerWaalsContact CD1-CA 3.43Å; L78-G82 PolarHBondContact O-N 2.99Å; A79-G82 PolarHBondContact O-N 3.35Å; A79-G82 VanDerWaalsContact O-N 3.17Å; I80-G82 VanDerWaalsContact C-N 3.26Å; I80-G82 PolarHBondContact O-N 3.15Å; G82-G86 PolarHBondContact O-N 3.02Å; G82-I87 WeakPolarHBondContact O-CG1 3.32Å; G82-I87 PolarHBondContact O-N 3.18Å; G82-C88 PolarHBondContact O-N 3.26Å
83V85.9Confident87Confident9 Ų925.6 Ų25.66%0.05516%0.164CC..Hα-helixtrans-72.1-39.6171.9175.20000110.9A79 I80 G81 E85 G86 C88 T89 A90 P93 T127 F128A79-V83 WeakPolarHBondContact O-CG2 3.17Å; A79-V83 PolarHBondContact O-N 3.19Å; I80-V83 PolarHBondContact O-N 3.42Å; I80-V83 VanDerWaalsContact O-N 3.16Å; G81-V83 VanDerWaalsContact C-N 3.33Å; G81-V83 PolarHBondContact O-N 3.34Å; V83-E85 VanDerWaalsContact C-N 3.34Å; V83-E85 PolarHBondContact O-N 3.41Å; V83-G86 PolarHBondContact O-N 2.86Å; V83-G86 VanDerWaalsContact O-N 3.1Å; V83-C88 HydrophobicContact CG2-CB 3.79Å; V83-T89 VanDerWaalsContact CG2-O 3.3Å; V83-T89 WeakPolarHBondContact CG2-O 3.35Å; V83-A90 HydrophobicContact CG1-CB 4.05Å; V83-P93 HydrophobicContact CG2-CG 4.33Å; V83-T127 HydrophobicContact CG1-CG2 4.09Å; V83-F128 HydrophobicContact CB-CE1 3.74Å; V83-F128 HydrophobicContact CB-CZ 3.61Å; V83-F128 HydrophobicContact CG1-CD1 4.32Å; V83-F128 HydrophobicContact CG1-CE1 3.55Å; V83-F128 HydrophobicContact CG1-CE2 4.13Å; V83-F128 HydrophobicContact CG1-CZ 3.46Å; V83-F128 VanDerWaalsContact CG1-CZ 3.46Å; V83-F128 HydrophobicContact CG2-CE1 4.16Å; V83-F128 HydrophobicContact CG2-CZ 4.49Å
84T85.1Confident87.3Confident94 Ų9424.1 Ų24.158%0.57716%0.157SC*.Hα-helixtrans-67-33.2177.751.70000113.3I80 G81 G86 F128I80-T84 PolarHBondContact O-N 3.44Å; G81-T84 WeakPolarHBondContact CA-OG1 3.27Å; G81-T84 PolarHBondContact O-N 3.01Å; G81-T84 PolarHBondContact O-OG1 3.29Å; T84-G86 VanDerWaalsContact C-N 3.29Å; T84-F128 HydrophobicContact CG2-CE2 4.05Å; T84-F128 HydrophobicContact CG2-CZ 4.28Å
85E84.8Confident87.6Confident117 Ų11724.5 Ų24.555%0.54716%0.158SC..THydrogen-bonded Turntrans-84.71.6173.1-62.1-69.4144.400113.1L34 G81 V83 I87L34-E85 HydrophobicContact CD1-CG 4.36Å; L34-E85 HydrophobicContact CD2-CB 3.79Å; L34-E85 HydrophobicContact CD2-CG 4.21Å; G81-E85 WeakPolarHBondContact O-CG 3.42Å; G81-E85 PolarHBondContact O-N 2.68Å; V83-E85 VanDerWaalsContact C-N 3.34Å; V83-E85 PolarHBondContact O-N 3.41Å; E85-I87 VanDerWaalsContact C-N 3.33Å; E85-I87 PolarHBondContact O-N 2.93Å
86G84.1Confident87.8Confident38 Ų3824.3 Ų24.339%0.39216%0.157SC..THydrogen-bonded Turntrans74.311.2175.400000116.4K48 G82 V83 T84K48-G86 WeakPolarHBondContact CE-O 3.43Å; K48-G86 PolarHBondContact NZ-O 3.07Å; G82-G86 PolarHBondContact O-N 3.02Å; V83-G86 PolarHBondContact O-N 2.86Å; V83-G86 VanDerWaalsContact O-N 3.1Å; T84-G86 VanDerWaalsContact C-N 3.29Å
87I84.4Confident87.9Confident8 Ų824.3 Ų24.34%0.04116%0.157CC..SBendtrans-90.8-16.3179.460.7165.7000114.6I30 L33 L34 F37 K48 L51 G82 E85I30-I87 HydrophobicContact CD1-CD1 4.21Å; I30-I87 HydrophobicContact CG1-CD1 4.35Å; L33-I87 HydrophobicContact CB-CD1 4.19Å; L34-I87 HydrophobicContact CD2-CD1 3.96Å; L34-I87 HydrophobicContact CD2-CG1 4.39Å; L34-I87 HydrophobicContact CD2-CG2 3.78Å; F37-I87 HydrophobicContact CB-CG2 4.26Å; F37-I87 HydrophobicContact CD1-CB 4.36Å; F37-I87 HydrophobicContact CD1-CG2 3.71Å; F37-I87 HydrophobicContact CD2-CB 3.95Å; F37-I87 HydrophobicContact CD2-CG2 4.17Å; F37-I87 HydrophobicContact CE1-CB 4.49Å; F37-I87 HydrophobicContact CE1-CG2 4.02Å; F37-I87 HydrophobicContact CE2-CB 4.07Å; F37-I87 HydrophobicContact CE2-CG2 4.43Å; F37-I87 WeakPolarHBondContact CE2-O 3.39Å; F37-I87 HydrophobicContact CG-CB 4.1Å; F37-I87 HydrophobicContact CG-CG2 3.79Å; F37-I87 HydrophobicContact CZ-CB 4.35Å; F37-I87 HydrophobicContact CZ-CG2 4.38Å; K48-I87 VanDerWaalsContact CG-O 3.28Å; K48-I87 WeakPolarHBondContact CG-O 3.49Å; L51-I87 HydrophobicContact CD2-CB 4.38Å; L51-I87 HydrophobicContact CD2-CD1 4.05Å; L51-I87 HydrophobicContact CD2-CG1 4.31Å; G82-I87 WeakPolarHBondContact O-CG1 3.32Å; G82-I87 PolarHBondContact O-N 3.18Å; E85-I87 VanDerWaalsContact C-N 3.33Å; E85-I87 PolarHBondContact O-N 2.93Å
88C85.1Confident88Confident8 Ų822.1 Ų22.15%0.05414%0.142CC..SBendtrans-117.7159.5178.4-68.70000112.5F55 G82 V83F55-C88 VanDerWaalsContact CE2-SG 3.53Å; G82-C88 PolarHBondContact O-N 3.26Å; V83-C88 HydrophobicContact CG2-CB 3.79Å
89T88Confident88.1Confident50 Ų5024.3 Ų24.331%0.30715%0.154SC..  trans-75137174.3-50.50000110.8D52 V83 S91 T92D52-T89 PolarHBondContact OD1-N 2.93Å; D52-T89 VanDerWaalsContact OD2-CB 3.25Å; D52-T89 WeakPolarHBondContact OD2-CB 3.4Å; D52-T89 PolarHBondContact OD2-OG1 3.01Å; V83-T89 VanDerWaalsContact CG2-O 3.3Å; V83-T89 WeakPolarHBondContact CG2-O 3.35Å; T89-S91 WeakPolarHBondContact CG2-OG 3.43Å; T89-S91 PolarHBondContact O-N 2.86Å; T89-T92 VanDerWaalsContact O-CB 3.26Å; T89-T92 WeakPolarHBondContact O-CB 3.26Å; T89-T92 PolarHBondContact O-N 3.33Å; T89-T92 PolarHBondContact O-OG1 3.49Å
90A86.8Confident88.3Confident24 Ų2424.3 Ų24.320%0.19815%0.154CC..THydrogen-bonded Turntrans-61.1-20.4-176.400000114.8V83 F94 A131V83-A90 HydrophobicContact CG1-CB 4.05Å; A90-F94 WeakPolarHBondContact O-CD2 3.4Å; A90-F94 WeakPolarHBondContact O-CE2 3.37Å; A90-A131 HydrophobicContact CB-CB 3.84Å
91S89.7Confident88.3Confident31 Ų3123.8 Ų23.822%0.21715%0.152CC..THydrogen-bonded Turntrans-80.2-2317451.20000113.9T89 F94 V95T89-S91 WeakPolarHBondContact CG2-OG 3.43Å; T89-S91 PolarHBondContact O-N 2.86Å; S91-F94 WeakPolarHBondContact O-CB 3.38Å; S91-F94 PolarHBondContact O-N 2.87Å; S91-F94 VanDerWaalsContact O-N 3.11Å; S91-V95 PolarHBondContact O-N 3.45Å; S91-V95 VanDerWaalsContact O-N 3.13Å
92T90.2Very high88.6Confident3 Ų327.1 Ų27.12%0.01817%0.165CC..Hα-helixtrans-53.6-52.7-172-60.80000114.4D52 T89 F94 V95 L96D52-T92 HydrophobicContact CB-CG2 4.13Å; D52-T92 WeakPolarHBondContact OD1-CB 3.23Å; D52-T92 WeakPolarHBondContact OD1-CG2 3.3Å; D52-T92 PolarHBondContact OD1-OG1 3.3Å; D52-T92 PolarHBondContact OD2-OG1 3.05Å; T89-T92 VanDerWaalsContact O-CB 3.26Å; T89-T92 WeakPolarHBondContact O-CB 3.26Å; T89-T92 PolarHBondContact O-N 3.33Å; T89-T92 PolarHBondContact O-OG1 3.49Å; T92-F94 PolarHBondContact O-N 3.38Å; T92-V95 PolarHBondContact O-N 3.41Å; T92-L96 HydrophobicContact CG2-CD1 3.74Å; T92-L96 HydrophobicContact CG2-CG 4.17Å; T92-L96 VanDerWaalsContact O-CG 3.3Å; T92-L96 WeakPolarHBondContact O-CG 3.23Å; T92-L96 PolarHBondContact O-N 3.14Å
93P91.5Very high88.8Confident0 Ų031.1 Ų31.10%019%0.192CC..Hα-helixtrans-63.8-26.5-17923.9-32.9000113.2A79 I80 V83 L97 F128A79-P93 HydrophobicContact CB-CB 4.31Å; I80-P93 HydrophobicContact CG1-CB 3.9Å; I80-P93 HydrophobicContact CG1-CG 4.32Å; V83-P93 HydrophobicContact CG2-CG 4.33Å; P93-L97 WeakPolarHBondContact O-CB 3.25Å; P93-L97 VanDerWaalsContact O-CG 3.28Å; P93-L97 WeakPolarHBondContact O-CG 3.25Å; P93-L97 PolarHBondContact O-N 3.46Å; P93-F128 HydrophobicContact CG-CD1 4.44Å; P93-F128 HydrophobicContact CG-CE1 3.98Å
94F91.9Very high88.8Confident1 Ų131.4 Ų31.40%0.00419%0.193CC..Hα-helixtrans-75.1-38.3175.8-59.4-72000112.8A90 S91 T92 G98 W123 F128 G132 Y135 L136A90-F94 WeakPolarHBondContact O-CD2 3.4Å; A90-F94 WeakPolarHBondContact O-CE2 3.37Å; S91-F94 WeakPolarHBondContact O-CB 3.38Å; S91-F94 PolarHBondContact O-N 2.87Å; S91-F94 VanDerWaalsContact O-N 3.11Å; T92-F94 PolarHBondContact O-N 3.38Å; F94-G98 PolarHBondContact O-N 3.37Å; F94-W123 HydrophobicContact CD1-CE3 4.32Å; F94-W123 HydrophobicContact CD1-CZ3 4.16Å; F94-W123 AromaticContact CE1-CD2 3.94Å; F94-W123 HydrophobicContact CE1-CD2 3.94Å; F94-W123 AromaticContact CE1-CE3 3.29Å; F94-W123 HydrophobicContact CE1-CE3 3.29Å; F94-W123 HydrophobicContact CE1-CH2 4.32Å; F94-W123 AromaticContact CE1-CZ3 3.5Å; F94-W123 HydrophobicContact CE1-CZ3 3.5Å; F94-W123 HydrophobicContact CE2-CZ3 4.47Å; F94-W123 HydrophobicContact CZ-CD2 4.38Å; F94-W123 AromaticContact CZ-CE3 3.42Å; F94-W123 HydrophobicContact CZ-CE3 3.42Å; F94-W123 VanDerWaalsContact CZ-CE3 3.42Å; F94-W123 AromaticContact CZ-CZ3 3.7Å; F94-W123 HydrophobicContact CZ-CZ3 3.7Å; F94-F128 HydrophobicContact CE2-CB 4.29Å; F94-F128 AromaticContact CE2-CD1 3.96Å; F94-F128 HydrophobicContact CE2-CD1 3.96Å; F94-F128 HydrophobicContact CZ-CB 4.02Å; F94-F128 HydrophobicContact CZ-CD1 4.14Å; F94-G132 VanDerWaalsContact CD2-CA 3.44Å; F94-Y135 HydrophobicContact CB-CD2 4.17Å; F94-Y135 HydrophobicContact CB-CG 4.01Å; F94-L136 HydrophobicContact CD1-CD1 4.25Å; F94-L136 HydrophobicContact CD1-CD2 4.07Å; F94-L136 HydrophobicContact CD1-CG 3.86Å; F94-L136 HydrophobicContact CE1-CD1 3.67Å; F94-L136 HydrophobicContact CE1-CD2 4.05Å; F94-L136 HydrophobicContact CE1-CG 3.8Å; F94-L136 HydrophobicContact CZ-CD1 4.44Å
95V92.1Very high88.8Confident21 Ų2130.5 Ų30.513%0.12719%0.189CC..Hα-helixtrans-70-43.4175.6-173.70000110.2R56 S91 T92 L97 G98 D99 Y135R56-V95 VanDerWaalsContact CZ-CG1 3.49Å; R56-V95 VanDerWaalsContact NH1-CG1 3.26Å; S91-V95 PolarHBondContact O-N 3.45Å; S91-V95 VanDerWaalsContact O-N 3.13Å; T92-V95 PolarHBondContact O-N 3.41Å; V95-L97 VanDerWaalsContact C-N 3.31Å; V95-L97 PolarHBondContact O-N 3.44Å; V95-G98 PolarHBondContact O-N 3.01Å; V95-D99 PolarHBondContact O-N 3.46Å; V95-Y135 HydrophobicContact CG2-CD1 4.11Å; V95-Y135 HydrophobicContact CG2-CE1 3.74Å
96L91.7Very high88.7Confident0 Ų027.5 Ų27.50%018%0.176CC..Hα-helixtrans-57.5-42.4173.9-66.7170.5000112F55 R56 L59 I76 A79 T92 G98 V100F55-L96 HydrophobicContact CB-CD1 4.05Å; F55-L96 HydrophobicContact CB-CD2 4.36Å; R56-L96 HydrophobicContact CB-CD2 4.27Å; R56-L96 HydrophobicContact CG-CD2 3.56Å; L59-L96 HydrophobicContact CB-CD2 4.39Å; L59-L96 HydrophobicContact CD2-CB 3.99Å; L59-L96 HydrophobicContact CD2-CD2 3.49Å; L59-L96 VanDerWaalsContact CD2-CD2 3.49Å; L59-L96 HydrophobicContact CD2-CG 4.33Å; I76-L96 HydrophobicContact CD1-CB 3.36Å; I76-L96 HydrophobicContact CD1-CD1 4.3Å; I76-L96 HydrophobicContact CD1-CG 4.44Å; A79-L96 HydrophobicContact CB-CD1 3.78Å; T92-L96 HydrophobicContact CG2-CD1 3.74Å; T92-L96 HydrophobicContact CG2-CG 4.17Å; T92-L96 VanDerWaalsContact O-CG 3.3Å; T92-L96 WeakPolarHBondContact O-CG 3.23Å; T92-L96 PolarHBondContact O-N 3.14Å; L96-G98 VanDerWaalsContact C-N 3.34Å; L96-V100 WeakPolarHBondContact O-CB 3.33Å; L96-V100 WeakPolarHBondContact O-CG2 3.21Å; L96-V100 PolarHBondContact O-N 3.12Å
97L91.6Very high88.7Confident0 Ų032.3 Ų32.30%019%0.193CC..Hα-helixtrans-64-36.5174.2-81.6168.7000112.9I76 P93 V95 L101 I112 V116 W123 M139I76-L97 HydrophobicContact CD1-CD2 4.36Å; I76-L97 HydrophobicContact CD1-CG 4.16Å; I76-L97 HydrophobicContact CG1-CD2 3.99Å; I76-L97 HydrophobicContact CG1-CG 4.23Å; I76-L97 HydrophobicContact CG2-CD1 4.06Å; I76-L97 HydrophobicContact CG2-CD2 4.05Å; I76-L97 HydrophobicContact CG2-CG 3.85Å; P93-L97 WeakPolarHBondContact O-CB 3.25Å; P93-L97 VanDerWaalsContact O-CG 3.28Å; P93-L97 WeakPolarHBondContact O-CG 3.25Å; P93-L97 PolarHBondContact O-N 3.46Å; V95-L97 VanDerWaalsContact C-N 3.31Å; V95-L97 PolarHBondContact O-N 3.44Å; L97-L101 WeakPolarHBondContact O-CB 3.32Å; L97-L101 WeakPolarHBondContact O-CD1 3.48Å; L97-L101 VanDerWaalsContact O-CG 3.23Å; L97-L101 WeakPolarHBondContact O-CG 3.44Å; L97-L101 PolarHBondContact O-N 3.18Å; L97-I112 HydrophobicContact CD2-CG2 4.25Å; L97-V116 HydrophobicContact CD1-CG2 4.17Å; L97-V116 HydrophobicContact CD2-CG2 4.04Å; L97-W123 HydrophobicContact CD1-CH2 3.65Å; L97-W123 HydrophobicContact CD1-CZ2 3.66Å; L97-M139 HydrophobicContact CB-CE 4.39Å; L97-M139 HydrophobicContact CB-SD 3.82Å
98G91.2Very high88.8Confident9 Ų935.3 Ų35.39%0.09321%0.207CC..Hα-helixtrans-66.3-52.9176.300000111.4F94 V95 L96 V100 L101 D102 M139F94-G98 PolarHBondContact O-N 3.37Å; V95-G98 PolarHBondContact O-N 3.01Å; L96-G98 VanDerWaalsContact C-N 3.34Å; G98-V100 VanDerWaalsContact C-N 3.26Å; G98-V100 PolarHBondContact O-N 2.83Å; G98-L101 PolarHBondContact O-N 3.03Å; G98-L101 VanDerWaalsContact O-N 3.1Å; G98-D102 WeakPolarHBondContact O-CB 3.36Å; G98-D102 PolarHBondContact O-N 3.36Å; G98-M139 WeakPolarHBondContact CA-SD 3.4Å; G98-M139 PolarHBondContact N-SD 2.98Å
99D90.5Very high88.9Confident60 Ų6035 Ų3532%0.32120%0.204SC..Hα-helixtrans-53.1-44.1176.7-60.5-17000110.5R56 V95 C103R56-D99 IonicContact NH1-OD2 2.68Å; V95-D99 PolarHBondContact O-N 3.46Å; D99-C103 WeakPolarHBondContact O-CB 3.43Å; D99-C103 PolarHBondContact O-N 3.02Å; D99-C103 VanDerWaalsContact O-N 3.1Å; D99-C103 PolarHBondContact O-SG 3.12Å; D99-C103 VanDerWaalsContact O-SG 3.32Å
100V90.9Very high88.9Confident0 Ų035 Ų350%020%0.203CC..Hα-helixtrans-61.1-53.2174167.40000112.7L59 I63 V72 L96 G98 D102 C103 L104 I112L59-V100 HydrophobicContact CD1-CG2 3.65Å; L59-V100 HydrophobicContact CD2-CG2 3.74Å; L59-V100 HydrophobicContact CG-CG2 4.07Å; I63-V100 HydrophobicContact CD1-CG2 4.21Å; V72-V100 HydrophobicContact CG1-CB 4.33Å; V72-V100 HydrophobicContact CG1-CG1 3.71Å; V72-V100 HydrophobicContact CG1-CG2 3.52Å; L96-V100 WeakPolarHBondContact O-CB 3.33Å; L96-V100 WeakPolarHBondContact O-CG2 3.21Å; L96-V100 PolarHBondContact O-N 3.12Å; G98-V100 VanDerWaalsContact C-N 3.26Å; G98-V100 PolarHBondContact O-N 2.83Å; V100-D102 VanDerWaalsContact C-N 3.25Å; V100-D102 PolarHBondContact O-N 3.37Å; V100-C103 PolarHBondContact O-N 3.15Å; V100-L104 HydrophobicContact CG1-CD1 3.69Å; V100-L104 HydrophobicContact CG1-CG 4.42Å; V100-L104 WeakPolarHBondContact O-CB 3.44Å; V100-L104 VanDerWaalsContact O-CG 3.29Å; V100-L104 WeakPolarHBondContact O-CG 3.33Å; V100-L104 PolarHBondContact O-N 3.04Å; V100-L104 VanDerWaalsContact O-N 3.14Å; V100-I112 HydrophobicContact CG1-CD1 3.66Å; V100-I112 HydrophobicContact CG1-CG2 4.42Å
101L90.1Very high88.9Confident7 Ų737 Ų374%0.03721%0.213CC..Hα-helixtrans-63.8-35.2-175.5-73.3167.5000111L97 G98 C109 I112 M139 L143 R146L97-L101 WeakPolarHBondContact O-CB 3.32Å; L97-L101 WeakPolarHBondContact O-CD1 3.48Å; L97-L101 VanDerWaalsContact O-CG 3.23Å; L97-L101 WeakPolarHBondContact O-CG 3.44Å; L97-L101 PolarHBondContact O-N 3.18Å; G98-L101 PolarHBondContact O-N 3.03Å; G98-L101 VanDerWaalsContact O-N 3.1Å; L101-C109 HydrophobicContact CD2-CB 3.9Å; L101-C109 PolarHBondContact O-SG 2.8Å; L101-C109 VanDerWaalsContact O-SG 3.33Å; L101-I112 HydrophobicContact CD2-CB 4.41Å; L101-I112 HydrophobicContact CD2-CG2 4.01Å; L101-M139 HydrophobicContact CD1-CB 4.4Å; L101-M139 HydrophobicContact CD1-SD 4.15Å; L101-L143 HydrophobicContact CD1-CD1 4.2Å; L101-L143 HydrophobicContact CD2-CD1 4.43Å; L101-R146 PolarHBondContact O-NH1 3.01Å; L101-R146 PolarHBondContact O-NH2 3.42Å
102D89.8Confident88.9Confident89 Ų8935.5 Ų35.548%0.47620%0.202SC..Hα-helixtrans-72.6-34.1177.6-75.8-26000113.8G98 V100 R146G98-D102 WeakPolarHBondContact O-CB 3.36Å; G98-D102 PolarHBondContact O-N 3.36Å; V100-D102 VanDerWaalsContact C-N 3.25Å; V100-D102 PolarHBondContact O-N 3.37Å; D102-R146 IonicContact OD1-NH1 3.53Å; D102-R146 PolarHBondContact OD1-NH1 2.99Å
103C88.4Confident88.9Confident84 Ų8435.6 Ų35.657%0.56820%0.202SC*.Hα-helixtrans-77.6-23.3175.8-71.10000114.8I63 D99 V100I63-C103 HydrophobicContact CD1-CB 4.3Å; I63-C103 HydrophobicContact CG2-CB 3.9Å; D99-C103 WeakPolarHBondContact O-CB 3.43Å; D99-C103 PolarHBondContact O-N 3.02Å; D99-C103 VanDerWaalsContact O-N 3.1Å; D99-C103 PolarHBondContact O-SG 3.12Å; D99-C103 VanDerWaalsContact O-SG 3.32Å; V100-C103 PolarHBondContact O-N 3.15Å
104L86Confident88.9Confident16 Ų1637.7 Ų37.78%0.08422%0.215CC..SBendtrans-98.3153.2-169.2-66.6-177.6000115.4V100 Q108 C109 I112 R146V100-L104 HydrophobicContact CG1-CD1 3.69Å; V100-L104 HydrophobicContact CG1-CG 4.42Å; V100-L104 WeakPolarHBondContact O-CB 3.44Å; V100-L104 VanDerWaalsContact O-CG 3.29Å; V100-L104 WeakPolarHBondContact O-CG 3.33Å; V100-L104 PolarHBondContact O-N 3.04Å; V100-L104 VanDerWaalsContact O-N 3.14Å; L104-Q108 HydrophobicContact CB-CB 4.36Å; L104-Q108 HydrophobicContact CD1-CB 4.29Å; L104-C109 PolarHBondContact O-SG 2.8Å; L104-I112 HydrophobicContact CD1-CD1 3.36Å; L104-R146 PolarHBondContact O-NH2 3.29Å
105P86.7Confident88.7Confident75 Ų7539.4 Ų39.449%0.48722%0.223SC..  trans-66159.6169.9-19.132.8000113.3D107 Q108 C109P105-D107 PolarHBondContact O-N 3.17Å; P105-Q108 PolarHBondContact O-N 3.4Å; P105-C109 PolarHBondContact O-N 3.38Å; P105-C109 PolarHBondContact O-SG 3.32Å; P105-C109 VanDerWaalsContact O-SG 3.39Å
106L82.4Confident88.6Confident54 Ų5438.7 Ų38.728%0.28322%0.218SC..Hα-helixtrans-58.7-39.4-171.2-62.8-179.6000114.2Q108 C109 D110 L147L106-Q108 VanDerWaalsContact C-N 3.33Å; L106-Q108 PolarHBondContact O-N 3.01Å; L106-C109 WeakPolarHBondContact O-CB 3.15Å; L106-C109 PolarHBondContact O-N 2.87Å; L106-D110 PolarHBondContact O-N 2.88Å; L106-L147 HydrophobicContact CD1-CD2 4.02Å; L106-L147 HydrophobicContact CD2-CD2 3.72Å; L106-L147 HydrophobicContact CG-CD2 4.37Å
107D84.6Confident88.5Confident138 Ų13841 Ų4174%0.73823%0.229SC*.Hα-helixtrans-63.6-39.7-179.1-49.3-48.7000111.8P105 D110 T111P105-D107 PolarHBondContact O-N 3.17Å; D107-D110 PolarHBondContact O-N 2.95Å; D107-T111 PolarHBondContact O-N 3.37Å
108Q85.6Confident88.4Confident72 Ų7248.6 Ų48.634%0.33626%0.262SS..Hα-helixtrans-72.5-39.3176.4-61.5-171.817.800110.8L104 P105 L106 D110 T111 I112L104-Q108 HydrophobicContact CB-CB 4.36Å; L104-Q108 HydrophobicContact CD1-CB 4.29Å; P105-Q108 PolarHBondContact O-N 3.4Å; L106-Q108 VanDerWaalsContact C-N 3.33Å; L106-Q108 PolarHBondContact O-N 3.01Å; Q108-D110 VanDerWaalsContact C-N 3.25Å; Q108-D110 PolarHBondContact O-N 3.49Å; Q108-T111 PolarHBondContact O-N 3.42Å; Q108-T111 VanDerWaalsContact O-N 3.16Å; Q108-T111 PolarHBondContact O-OG1 3.06Å; Q108-I112 WeakPolarHBondContact O-CG1 3.24Å; Q108-I112 PolarHBondContact O-N 2.7Å
109C87.6Confident88.3Confident0 Ų050.1 Ų50.10%027%0.268CS..Hα-helixtrans-57-36.7173.4-70.10000112.5L101 L104 P105 L106 I112 F113 L143L101-C109 HydrophobicContact CD2-CB 3.9Å; L101-C109 PolarHBondContact O-SG 2.8Å; L101-C109 VanDerWaalsContact O-SG 3.33Å; L104-C109 PolarHBondContact O-SG 2.8Å; P105-C109 PolarHBondContact O-N 3.38Å; P105-C109 PolarHBondContact O-SG 3.32Å; P105-C109 VanDerWaalsContact O-SG 3.39Å; L106-C109 WeakPolarHBondContact O-CB 3.15Å; L106-C109 PolarHBondContact O-N 2.87Å; C109-I112 PolarHBondContact O-N 3.09Å; C109-F113 WeakPolarHBondContact O-CB 3.22Å; C109-F113 PolarHBondContact O-N 3.37Å; C109-L143 HydrophobicContact CB-CD2 4.42Å
110D87.4Confident88.1Confident52 Ų5247.5 Ų47.528%0.27826%0.255SS..Hα-helixtrans-64.4-46.9174.6-173.731.8000112.1L106 D107 Q108 I112 F113 T114 F155 R158L106-D110 PolarHBondContact O-N 2.88Å; D107-D110 PolarHBondContact O-N 2.95Å; Q108-D110 VanDerWaalsContact C-N 3.25Å; Q108-D110 PolarHBondContact O-N 3.49Å; D110-I112 VanDerWaalsContact C-N 3.26Å; D110-I112 PolarHBondContact O-N 3.46Å; D110-F113 WeakPolarHBondContact O-CB 3.25Å; D110-F113 PolarHBondContact O-N 3.23Å; D110-T114 PolarHBondContact O-N 2.84Å; D110-F155 HydrophobicContact CB-CD2 4.31Å; D110-F155 HydrophobicContact CB-CE2 4.08Å; D110-F155 HydrophobicContact CB-CZ 4.33Å; D110-F155 VanDerWaalsContact OD1-CD2 3.24Å; D110-F155 WeakPolarHBondContact OD1-CD2 3.29Å; D110-F155 WeakPolarHBondContact OD1-CE2 3.26Å; D110-R158 VanDerWaalsContact CG-NH1 3.34Å; D110-R158 IonicContact OD1-CZ 2.73Å; D110-R158 IonicContact OD1-NH1 3.7Å; D110-R158 PolarHBondContact OD1-NH1 2.99Å; D110-R158 IonicContact OD1-NH2 2.64Å; D110-R158 PolarHBondContact OD1-NH2 2.8Å; D110-R158 IonicContact OD2-NH1 2.66Å; D110-R158 PolarHBondContact OD2-NH1 3.32Å
111T87.4Confident87.9Confident65 Ų6551.5 Ų51.540%0.39929%0.288SS..Hα-helixtrans-58.2-40.6177.570.20000112D107 Q108 T114D107-T111 PolarHBondContact O-N 3.37Å; Q108-T111 PolarHBondContact O-N 3.42Å; Q108-T111 VanDerWaalsContact O-N 3.16Å; Q108-T111 PolarHBondContact O-OG1 3.06Å; T111-T114 PolarHBondContact O-N 3.28Å; T111-T114 PolarHBondContact O-OG1 2.73Å
112I89.4Confident87.7Confident0 Ų053.2 Ų53.20%030%0.298CS..Hα-helixtrans-70.4-35.5178-67.5162.5000110.7L73 L97 V100 L101 L104 Q108 C109 D110 T114 F115 V116L73-I112 HydrophobicContact CD2-CB 4.37Å; L73-I112 HydrophobicContact CD2-CG1 4.09Å; L73-I112 HydrophobicContact CD2-CG2 4.06Å; L73-I112 HydrophobicContact CG-CG1 4.44Å; L97-I112 HydrophobicContact CD2-CG2 4.25Å; V100-I112 HydrophobicContact CG1-CD1 3.66Å; V100-I112 HydrophobicContact CG1-CG2 4.42Å; L101-I112 HydrophobicContact CD2-CB 4.41Å; L101-I112 HydrophobicContact CD2-CG2 4.01Å; L104-I112 HydrophobicContact CD1-CD1 3.36Å; Q108-I112 WeakPolarHBondContact O-CG1 3.24Å; Q108-I112 PolarHBondContact O-N 2.7Å; C109-I112 PolarHBondContact O-N 3.09Å; D110-I112 VanDerWaalsContact C-N 3.26Å; D110-I112 PolarHBondContact O-N 3.46Å; I112-T114 VanDerWaalsContact C-N 3.31Å; I112-T114 PolarHBondContact O-N 2.85Å; I112-F115 WeakPolarHBondContact O-CB 3.1Å; I112-F115 PolarHBondContact O-N 2.8Å; I112-F115 VanDerWaalsContact O-N 3.09Å; I112-V116 PolarHBondContact O-N 3.39Å; I112-V116 VanDerWaalsContact O-N 3.1Å
113F90.8Very high87.5Confident4 Ų449 Ų492%0.01828%0.275CS..Hα-helixtrans-64-34.9173-157.3-100.2000112.1C109 D110 F115 V116 E117 L143 F155 I159 F162C109-F113 WeakPolarHBondContact O-CB 3.22Å; C109-F113 PolarHBondContact O-N 3.37Å; D110-F113 WeakPolarHBondContact O-CB 3.25Å; D110-F113 PolarHBondContact O-N 3.23Å; F113-F115 PolarHBondContact O-N 2.92Å; F113-V116 WeakPolarHBondContact O-CA 3.41Å; F113-V116 WeakPolarHBondContact O-CB 3.31Å; F113-V116 PolarHBondContact O-N 3.1Å; F113-E117 HydrophobicContact CD1-CG 3.78Å; F113-E117 HydrophobicContact CE1-CG 3.69Å; F113-E117 WeakPolarHBondContact O-CG 3.29Å; F113-E117 PolarHBondContact O-N 2.91Å; F113-L143 HydrophobicContact CD2-CD1 4.22Å; F113-L143 HydrophobicContact CE2-CD1 4.47Å; F113-F155 HydrophobicContact CB-CE2 3.61Å; F113-F155 HydrophobicContact CB-CZ 3.91Å; F113-F155 AromaticContact CD1-CE2 3.84Å; F113-F155 HydrophobicContact CD1-CE2 3.84Å; F113-F155 AromaticContact CG-CE2 3.74Å; F113-F155 HydrophobicContact CG-CE2 3.74Å; F113-F155 HydrophobicContact CG-CZ 4.12Å; F113-I159 HydrophobicContact CD1-CG1 4.45Å; F113-I159 HydrophobicContact CD2-CG1 4.41Å; F113-I159 HydrophobicContact CE1-CG1 3.97Å; F113-I159 HydrophobicContact CE2-CG1 3.93Å; F113-I159 HydrophobicContact CZ-CB 4.14Å; F113-I159 HydrophobicContact CZ-CG1 3.7Å; F113-I159 HydrophobicContact CZ-CG2 4.46Å; F113-F162 HydrophobicContact CE1-CB 3.93Å; F113-F162 HydrophobicContact CE1-CG 4.25Å; F113-F162 HydrophobicContact CE2-CD1 4.17Å; F113-F162 HydrophobicContact CZ-CB 3.65Å; F113-F162 AromaticContact CZ-CD1 3.65Å; F113-F162 HydrophobicContact CZ-CD1 3.65Å; F113-F162 HydrophobicContact CZ-CD2 4.46Å; F113-F162 HydrophobicContact CZ-CE1 4.42Å; F113-F162 AromaticContact CZ-CG 3.68Å; F113-F162 HydrophobicContact CZ-CG 3.68Å
114T90.1Very high87.3Confident44 Ų4449.7 Ų49.727%0.2727%0.269SS..Hα-helixtrans-60-32.3172.178.50000112.9D110 T111 I112 E117 K118D110-T114 PolarHBondContact O-N 2.84Å; T111-T114 PolarHBondContact O-N 3.28Å; T111-T114 PolarHBondContact O-OG1 2.73Å; I112-T114 VanDerWaalsContact C-N 3.31Å; I112-T114 PolarHBondContact O-N 2.85Å; T114-E117 WeakPolarHBondContact CA-OE2 3.23Å; T114-K118 WeakPolarHBondContact O-CD 3.2Å; T114-K118 VanDerWaalsContact O-CG 3.24Å; T114-K118 WeakPolarHBondContact O-CG 3.42Å; T114-K118 PolarHBondContact O-N 3.39Å; T114-K118 VanDerWaalsContact O-N 3.11Å
115F88.9Confident87.3Confident37 Ų3751.1 Ų51.116%0.16228%0.281CS..Hα-helixtrans-72.2-38.7174.4171.7-88.4000111.3L73 I76 I112 F113 K118 N119L73-F115 HydrophobicContact CB-CD2 4.44Å; L73-F115 HydrophobicContact CD1-CB 4.01Å; L73-F115 HydrophobicContact CD1-CD2 4.33Å; L73-F115 HydrophobicContact CD1-CG 4.28Å; L73-F115 HydrophobicContact CD2-CB 3.76Å; L73-F115 HydrophobicContact CD2-CD1 3.64Å; L73-F115 HydrophobicContact CD2-CD2 4.15Å; L73-F115 HydrophobicContact CD2-CE1 4.22Å; L73-F115 HydrophobicContact CD2-CG 3.6Å; L73-F115 HydrophobicContact CG-CG 4.4Å; I76-F115 HydrophobicContact CB-CE1 4.45Å; I76-F115 HydrophobicContact CG2-CE1 4.02Å; I112-F115 WeakPolarHBondContact O-CB 3.1Å; I112-F115 PolarHBondContact O-N 2.8Å; I112-F115 VanDerWaalsContact O-N 3.09Å; F113-F115 PolarHBondContact O-N 2.92Å; F115-K118 PolarHBondContact O-N 3.14Å; F115-N119 WeakPolarHBondContact CE1-ND2 3.4Å; F115-N119 VanDerWaalsContact CE2-ND2 3.33Å; F115-N119 WeakPolarHBondContact CE2-ND2 3.43Å; F115-N119 VanDerWaalsContact CZ-ND2 3.27Å; F115-N119 WeakPolarHBondContact CZ-ND2 3.47Å; F115-N119 PolarHBondContact O-N 3.38Å; F115-N119 PolarHBondContact O-ND2 3.09Å
116V90Very high87.1Confident6 Ų654.2 Ų54.24%0.03629%0.293CS..Hα-helixtrans-64-42.8174.8173.90000111.1L97 I112 F113 N119 W123 F162L97-V116 HydrophobicContact CD1-CG2 4.17Å; L97-V116 HydrophobicContact CD2-CG2 4.04Å; I112-V116 PolarHBondContact O-N 3.39Å; I112-V116 VanDerWaalsContact O-N 3.1Å; F113-V116 WeakPolarHBondContact O-CA 3.41Å; F113-V116 WeakPolarHBondContact O-CB 3.31Å; F113-V116 PolarHBondContact O-N 3.1Å; V116-N119 PolarHBondContact O-N 3.05Å; V116-W123 PolarHBondContact O-NE1 3.37Å; V116-F162 HydrophobicContact CG1-CD2 4.48Å; V116-F162 HydrophobicContact CG1-CE1 3.86Å; V116-F162 HydrophobicContact CG1-CE2 3.61Å; V116-F162 HydrophobicContact CG1-CZ 3.26Å
117E89.6Confident87.1Confident48 Ų4855.7 Ų55.722%0.22430%0.304CS..Hα-helixtrans-61.4-39.5174.4-72.6171145.500112.9F113 T114 N119 V120 R158 F162F113-E117 HydrophobicContact CD1-CG 3.78Å; F113-E117 HydrophobicContact CE1-CG 3.69Å; F113-E117 WeakPolarHBondContact O-CG 3.29Å; F113-E117 PolarHBondContact O-N 2.91Å; T114-E117 WeakPolarHBondContact CA-OE2 3.23Å; E117-N119 VanDerWaalsContact C-N 3.34Å; E117-V120 WeakPolarHBondContact O-CG2 3.43Å; E117-R158 IonicContact OE1-CZ 3.8Å; E117-R158 IonicContact OE1-NE 2.99Å; E117-R158 PolarHBondContact OE1-NE 3.27Å; E117-R158 IonicContact OE1-NH2 3.24Å; E117-R158 IonicContact OE2-CZ 2.79Å; E117-R158 IonicContact OE2-NE 2.7Å; E117-R158 PolarHBondContact OE2-NE 3.43Å; E117-R158 IonicContact OE2-NH2 3.78Å; E117-R158 PolarHBondContact OE2-NH2 2.98Å; E117-F162 HydrophobicContact CG-CD2 4.28Å
118K89.9Confident87.1Confident161 Ų16149.2 Ų49.270%0.727%0.27SS*.Hα-helixtrans-66.4-34.5176.1-75.6164.3-174.9164.40112.4T114 F115 V120T114-K118 WeakPolarHBondContact O-CD 3.2Å; T114-K118 VanDerWaalsContact O-CG 3.24Å; T114-K118 WeakPolarHBondContact O-CG 3.42Å; T114-K118 PolarHBondContact O-N 3.39Å; T114-K118 VanDerWaalsContact O-N 3.11Å; F115-K118 PolarHBondContact O-N 3.14Å; K118-V120 PolarHBondContact O-N 2.89Å
119N88.2Confident87Confident41 Ų4148 Ų4822%0.21926%0.262CS..THydrogen-bonded Turntrans-90.812.5-174.2-73.6-61.5000115.3F115 V116 E117 A121 T122 W123F115-N119 WeakPolarHBondContact CE1-ND2 3.4Å; F115-N119 VanDerWaalsContact CE2-ND2 3.33Å; F115-N119 WeakPolarHBondContact CE2-ND2 3.43Å; F115-N119 VanDerWaalsContact CZ-ND2 3.27Å; F115-N119 WeakPolarHBondContact CZ-ND2 3.47Å; F115-N119 PolarHBondContact O-N 3.38Å; F115-N119 PolarHBondContact O-ND2 3.09Å; V116-N119 PolarHBondContact O-N 3.05Å; E117-N119 VanDerWaalsContact C-N 3.34Å; N119-A121 PolarHBondContact O-N 2.64Å; N119-A121 VanDerWaalsContact O-N 3.09Å; N119-T122 WeakPolarHBondContact O-CB 3.48Å; N119-T122 PolarHBondContact O-N 3.14Å; N119-W123 HydrophobicContact CB-CZ2 4.27Å; N119-W123 VanDerWaalsContact O-CD1 3.24Å; N119-W123 PolarHBondContact O-N 3.24Å
120V86.9Confident86.8Confident5 Ų551.8 Ų51.83%0.0329%0.289CS..Hα-helixtrans-49.1-38.3178.6170.10000113.8E117 K118 T122 W123 K124 F162 R165E117-V120 WeakPolarHBondContact O-CG2 3.43Å; K118-V120 PolarHBondContact O-N 2.89Å; V120-T122 VanDerWaalsContact C-N 3.32Å; V120-T122 PolarHBondContact O-N 2.96Å; V120-W123 PolarHBondContact O-N 3.45Å; V120-K124 HydrophobicContact CG1-CD 4.37Å; V120-K124 HydrophobicContact CG1-CG 4.38Å; V120-K124 WeakPolarHBondContact O-CG 3.3Å; V120-K124 PolarHBondContact O-N 3.45Å; V120-F162 HydrophobicContact CG2-CD2 3.77Å; V120-F162 HydrophobicContact CG2-CE2 3.5Å; V120-R165 HydrophobicContact CG1-CG 4.19Å
121A86.3Confident86.5Confident84 Ų8450.9 Ų50.969%0.69429%0.289SS*.Hα-helixtrans-62.4-39.2178.900000112.4N119 K124 S125N119-A121 PolarHBondContact O-N 2.64Å; N119-A121 VanDerWaalsContact O-N 3.09Å; A121-K124 PolarHBondContact O-N 2.96Å; A121-S125 PolarHBondContact O-N 3.3Å
122T85.5Confident86.2Confident42 Ų4247.8 Ų47.826%0.25827%0.27SS..Hα-helixtrans-66-47.7176-470000110.6I80 N119 V120 K124 S125 F128I80-T122 HydrophobicContact CG2-CG2 3.82Å; N119-T122 WeakPolarHBondContact O-CB 3.48Å; N119-T122 PolarHBondContact O-N 3.14Å; V120-T122 VanDerWaalsContact C-N 3.32Å; V120-T122 PolarHBondContact O-N 2.96Å; T122-K124 VanDerWaalsContact C-N 3.25Å; T122-K124 PolarHBondContact O-N 3.35Å; T122-S125 WeakPolarHBondContact O-CB 3.44Å; T122-S125 PolarHBondContact O-N 2.7Å; T122-S125 VanDerWaalsContact O-N 3.09Å; T122-S125 PolarHBondContact O-OG 2.77Å; T122-F128 HydrophobicContact CG2-CD2 4.26Å; T122-F128 HydrophobicContact CG2-CE2 4.08Å; T122-F128 HydrophobicContact CG2-CZ 4.49Å
123W86.2Confident86Confident0 Ų050.5 Ų50.50%028%0.282CS..Hα-helixtrans-62.7-28.8179.4-51.2137.6000113.7I80 F94 L97 V116 N119 V120 F128 Y129 L136 L166I80-W123 HydrophobicContact CD1-CH2 3.57Å; I80-W123 HydrophobicContact CD1-CZ2 4.15Å; I80-W123 HydrophobicContact CD1-CZ3 4.14Å; I80-W123 HydrophobicContact CG1-CH2 4.03Å; I80-W123 HydrophobicContact CG1-CZ3 4.22Å; F94-W123 HydrophobicContact CD1-CE3 4.32Å; F94-W123 HydrophobicContact CD1-CZ3 4.16Å; F94-W123 AromaticContact CE1-CD2 3.94Å; F94-W123 HydrophobicContact CE1-CD2 3.94Å; F94-W123 AromaticContact CE1-CE3 3.29Å; F94-W123 HydrophobicContact CE1-CE3 3.29Å; F94-W123 HydrophobicContact CE1-CH2 4.32Å; F94-W123 AromaticContact CE1-CZ3 3.5Å; F94-W123 HydrophobicContact CE1-CZ3 3.5Å; F94-W123 HydrophobicContact CE2-CZ3 4.47Å; F94-W123 HydrophobicContact CZ-CD2 4.38Å; F94-W123 AromaticContact CZ-CE3 3.42Å; F94-W123 HydrophobicContact CZ-CE3 3.42Å; F94-W123 VanDerWaalsContact CZ-CE3 3.42Å; F94-W123 AromaticContact CZ-CZ3 3.7Å; F94-W123 HydrophobicContact CZ-CZ3 3.7Å; L97-W123 HydrophobicContact CD1-CH2 3.65Å; L97-W123 HydrophobicContact CD1-CZ2 3.66Å; V116-W123 PolarHBondContact O-NE1 3.37Å; N119-W123 HydrophobicContact CB-CZ2 4.27Å; N119-W123 VanDerWaalsContact O-CD1 3.24Å; N119-W123 PolarHBondContact O-N 3.24Å; V120-W123 PolarHBondContact O-N 3.45Å; W123-F128 HydrophobicContact CE3-CD1 4.47Å; W123-F128 HydrophobicContact CZ3-CD1 4.4Å; W123-Y129 WeakPolarHBondContact O-CA 3.27Å; W123-Y129 PolarHBondContact O-N 3.16Å; W123-L136 HydrophobicContact CB-CD1 4.43Å; W123-L166 HydrophobicContact CB-CD2 4.07Å
124K84.4Confident85.8Confident99 Ų9954.3 Ų54.343%0.4330%0.302SS..THydrogen-bonded Turntrans-79.9-11.3175.4-76.5-162.5175.1-150.30115.1V120 A121 T122 R165 L166V120-K124 HydrophobicContact CG1-CD 4.37Å; V120-K124 HydrophobicContact CG1-CG 4.38Å; V120-K124 WeakPolarHBondContact O-CG 3.3Å; V120-K124 PolarHBondContact O-N 3.45Å; A121-K124 PolarHBondContact O-N 2.96Å; T122-K124 VanDerWaalsContact C-N 3.25Å; T122-K124 PolarHBondContact O-N 3.35Å; K124-R165 WeakPolarHBondContact CE-O 3.46Å; K124-R165 PolarHBondContact NZ-O 2.96Å; K124-L166 VanDerWaalsContact CE-O 3.28Å; K124-L166 WeakPolarHBondContact CE-O 3.41Å; K124-L166 PolarHBondContact NZ-O 3.4Å
125S85.8Confident85.8Confident47 Ų4756 Ų5633%0.32930%0.304SS..SBendtrans-71.3147.1177.470.20000111.1A121 T122 T127 F128 Y129A121-S125 PolarHBondContact O-N 3.3Å; T122-S125 WeakPolarHBondContact O-CB 3.44Å; T122-S125 PolarHBondContact O-N 2.7Å; T122-S125 VanDerWaalsContact O-N 3.09Å; T122-S125 PolarHBondContact O-OG 2.77Å; S125-T127 PolarHBondContact O-N 2.91Å; S125-T127 VanDerWaalsContact O-N 3.12Å; S125-F128 PolarHBondContact O-N 2.99Å; S125-F128 WeakPolarHBondContact OG-CD2 3.2Å; S125-Y129 WeakPolarHBondContact O-CB 3.36Å; S125-Y129 PolarHBondContact O-N 3.32Å
126N82.1Confident85.8Confident140 Ų14054.5 Ų54.575%0.74930%0.297SS*.Hα-helixtrans-57.2-35.6-167-163.932.4000113.9F128 S130N126-F128 VanDerWaalsContact C-N 3.31Å; N126-F128 PolarHBondContact O-N 3.37Å; N126-S130 PolarHBondContact O-OG 3.41Å; N126-S130 VanDerWaalsContact O-OG 3.14Å
127T81.8Confident85.7Confident84 Ų8455.7 Ų55.752%0.51530%0.303SS..Hα-helixtrans-59.8-38176.7-43.70000112.8V83 S125V83-T127 HydrophobicContact CG1-CG2 4.09Å; S125-T127 PolarHBondContact O-N 2.91Å; S125-T127 VanDerWaalsContact O-N 3.12Å
128F84.3Confident85.7Confident3 Ų360.4 Ų60.41%0.01332%0.319CS..Hα-helixtrans-98.8-31.8-175-71.9-82.9000112.5I80 V83 T84 P93 F94 T122 W123 S125 N126 G132I80-F128 HydrophobicContact CG2-CZ 3.97Å; V83-F128 HydrophobicContact CB-CE1 3.74Å; V83-F128 HydrophobicContact CB-CZ 3.61Å; V83-F128 HydrophobicContact CG1-CD1 4.32Å; V83-F128 HydrophobicContact CG1-CE1 3.55Å; V83-F128 HydrophobicContact CG1-CE2 4.13Å; V83-F128 HydrophobicContact CG1-CZ 3.46Å; V83-F128 VanDerWaalsContact CG1-CZ 3.46Å; V83-F128 HydrophobicContact CG2-CE1 4.16Å; V83-F128 HydrophobicContact CG2-CZ 4.49Å; T84-F128 HydrophobicContact CG2-CE2 4.05Å; T84-F128 HydrophobicContact CG2-CZ 4.28Å; P93-F128 HydrophobicContact CG-CD1 4.44Å; P93-F128 HydrophobicContact CG-CE1 3.98Å; F94-F128 HydrophobicContact CE2-CB 4.29Å; F94-F128 AromaticContact CE2-CD1 3.96Å; F94-F128 HydrophobicContact CE2-CD1 3.96Å; F94-F128 HydrophobicContact CZ-CB 4.02Å; F94-F128 HydrophobicContact CZ-CD1 4.14Å; T122-F128 HydrophobicContact CG2-CD2 4.26Å; T122-F128 HydrophobicContact CG2-CE2 4.08Å; T122-F128 HydrophobicContact CG2-CZ 4.49Å; W123-F128 HydrophobicContact CE3-CD1 4.47Å; W123-F128 HydrophobicContact CZ3-CD1 4.4Å; S125-F128 PolarHBondContact O-N 2.99Å; S125-F128 WeakPolarHBondContact OG-CD2 3.2Å; N126-F128 VanDerWaalsContact C-N 3.31Å; N126-F128 PolarHBondContact O-N 3.37Å; F128-G132 VanDerWaalsContact O-CA 3.32Å; F128-G132 WeakPolarHBondContact O-CA 3.38Å; F128-G132 PolarHBondContact O-N 3.43Å
129Y84.4Confident85.8Confident45 Ų4553.8 Ų53.818%0.17629%0.291CS..Hα-helixtrans-62.9-49.5-175-168.2-101.9000112.7W123 S125 G132 K133 P168 E171W123-Y129 WeakPolarHBondContact O-CA 3.27Å; W123-Y129 PolarHBondContact O-N 3.16Å; S125-Y129 WeakPolarHBondContact O-CB 3.36Å; S125-Y129 PolarHBondContact O-N 3.32Å; Y129-G132 PolarHBondContact O-N 2.97Å; Y129-K133 HydrophobicContact CE1-CD 4.26Å; Y129-K133 WeakPolarHBondContact O-CB 3.36Å; Y129-K133 PolarHBondContact O-N 3.14Å; Y129-K133 VanDerWaalsContact O-N 3.14Å; Y129-P168 WeakPolarHBondContact OH-CD 3.41Å; Y129-E171 PolarHBondContact OH-OE2 3.34Å
130S82.9Confident85.8Confident80 Ų8052 Ų5256%0.55928%0.282SS*.Hα-helixtrans-62.8-44.6-17854.30000112.5N126N126-S130 PolarHBondContact O-OG 3.41Å; N126-S130 VanDerWaalsContact O-OG 3.14Å
131A82Confident85.9Confident34 Ų3455.8 Ų55.828%0.28130%0.302SS..Hα-helixtrans-77.2-32.9178.900000113.5A90 Y135A90-A131 HydrophobicContact CB-CB 3.84Å; A131-Y135 VanDerWaalsContact O-CD2 3.27Å; A131-Y135 WeakPolarHBondContact O-CD2 3.5Å; A131-Y135 WeakPolarHBondContact O-CE2 3.24Å
132G81.4Confident86.1Confident0 Ų053.5 Ų53.50%028%0.278CS..Hα-helixtrans-95.1-28.2-165.800000116.6F94 F128 Y129 N134 Y135 L136F94-G132 VanDerWaalsContact CD2-CA 3.44Å; F128-G132 VanDerWaalsContact O-CA 3.32Å; F128-G132 WeakPolarHBondContact O-CA 3.38Å; F128-G132 PolarHBondContact O-N 3.43Å; Y129-G132 PolarHBondContact O-N 2.97Å; G132-N134 VanDerWaalsContact C-N 3.28Å; G132-N134 PolarHBondContact O-N 2.9Å; G132-N134 VanDerWaalsContact O-N 3.12Å; G132-Y135 PolarHBondContact O-N 3.5Å; G132-L136 PolarHBondContact O-N 2.87Å
133K84.3Confident86.2Confident57 Ų5751.6 Ų51.625%0.24827%0.266CS..Hα-helixtrans-55.5-38.4-167.868.2178.4-163.8164.90114.7Y129 L137 F167 E171Y129-K133 HydrophobicContact CE1-CD 4.26Å; Y129-K133 WeakPolarHBondContact O-CB 3.36Å; Y129-K133 PolarHBondContact O-N 3.14Å; Y129-K133 VanDerWaalsContact O-N 3.14Å; K133-L137 PolarHBondContact O-N 3.29Å; K133-F167 HydrophobicContact CB-CE1 4.02Å; K133-F167 HydrophobicContact CB-CZ 4.23Å; K133-E171 IonicContact NZ-OE1 2.92Å; K133-E171 PolarHBondContact NZ-OE1 3.44Å
134N87.6Confident86.2Confident84 Ų8453.4 Ų53.445%0.44928%0.276SS..Hα-helixtrans-73.1-32179.2-71-26000112.7G132 R138G132-N134 VanDerWaalsContact C-N 3.28Å; G132-N134 PolarHBondContact O-N 2.9Å; G132-N134 VanDerWaalsContact O-N 3.12Å; N134-R138 VanDerWaalsContact O-CG 3.31Å; N134-R138 WeakPolarHBondContact O-CG 3.36Å; N134-R138 PolarHBondContact O-N 2.86Å; N134-R138 VanDerWaalsContact O-N 3.14Å
135Y89.1Confident86.3Confident80 Ų8057.5 Ų57.531%0.31429%0.289SS..Hα-helixtrans-72-43.8174.2-64.4-77.6000110.7F94 V95 A131 G132 L137 R138 M139F94-Y135 HydrophobicContact CB-CD2 4.17Å; F94-Y135 HydrophobicContact CB-CG 4.01Å; V95-Y135 HydrophobicContact CG2-CD1 4.11Å; V95-Y135 HydrophobicContact CG2-CE1 3.74Å; A131-Y135 VanDerWaalsContact O-CD2 3.27Å; A131-Y135 WeakPolarHBondContact O-CD2 3.5Å; A131-Y135 WeakPolarHBondContact O-CE2 3.24Å; G132-Y135 PolarHBondContact O-N 3.5Å; Y135-L137 VanDerWaalsContact C-N 3.32Å; Y135-L137 PolarHBondContact O-N 3.42Å; Y135-R138 PolarHBondContact O-N 2.92Å; Y135-M139 WeakPolarHBondContact O-CG 3.31Å; Y135-M139 PolarHBondContact O-N 3.17Å
136L89.3Confident86.3Confident4 Ų459.6 Ų59.62%0.02129%0.289CS..Hα-helixtrans-56.8-44.4174.4-70.6162.1000111.8F94 W123 G132 M139 C140 F162 L166F94-L136 HydrophobicContact CD1-CD1 4.25Å; F94-L136 HydrophobicContact CD1-CD2 4.07Å; F94-L136 HydrophobicContact CD1-CG 3.86Å; F94-L136 HydrophobicContact CE1-CD1 3.67Å; F94-L136 HydrophobicContact CE1-CD2 4.05Å; F94-L136 HydrophobicContact CE1-CG 3.8Å; F94-L136 HydrophobicContact CZ-CD1 4.44Å; W123-L136 HydrophobicContact CB-CD1 4.43Å; G132-L136 PolarHBondContact O-N 2.87Å; L136-M139 HydrophobicContact CD2-CE 3.77Å; L136-M139 HydrophobicContact CG-CE 4.22Å; L136-C140 WeakPolarHBondContact O-CB 3.49Å; L136-C140 PolarHBondContact O-N 3.46Å; L136-C140 PolarHBondContact O-SG 3.42Å; L136-F162 HydrophobicContact CD2-CE1 4.17Å; L136-F162 HydrophobicContact CD2-CZ 4.1Å; L136-L166 HydrophobicContact CB-CD1 4.06Å; L136-L166 HydrophobicContact CD1-CD1 3.83Å; L136-L166 HydrophobicContact CD1-CD2 4.05Å; L136-L166 HydrophobicContact CD2-CD1 4.36Å; L136-L166 HydrophobicContact CG-CD1 4.31Å
137L88.7Confident86.3Confident31 Ų3153.3 Ų53.316%0.16226%0.255CS..Hα-helixtrans-60.3-46.9173.8-83163.2000113K133 Y135 C140 N141 L163 F167K133-L137 PolarHBondContact O-N 3.29Å; Y135-L137 VanDerWaalsContact C-N 3.32Å; Y135-L137 PolarHBondContact O-N 3.42Å; L137-C140 PolarHBondContact O-N 3.05Å; L137-N141 WeakPolarHBondContact O-CB 3.47Å; L137-N141 PolarHBondContact O-N 3.18Å; L137-N141 PolarHBondContact O-ND2 2.63Å; L137-L163 HydrophobicContact CD2-CD2 4.05Å; L137-F167 HydrophobicContact CD1-CE1 4.25Å; L137-F167 HydrophobicContact CD1-CE2 4.04Å; L137-F167 HydrophobicContact CD1-CZ 3.52Å; L137-F167 HydrophobicContact CD2-CE2 3.61Å; L137-F167 HydrophobicContact CD2-CZ 3.99Å; L137-F167 HydrophobicContact CG-CE2 3.64Å; L137-F167 HydrophobicContact CG-CZ 3.52Å
138R89.3Confident86Confident148 Ų14851.6 Ų51.656%0.55825%0.247SC*.Hα-helixtrans-60.7-56.6178.2-73.2170.7-172.4161.91111N134 Y135 C140 N141 D142N134-R138 VanDerWaalsContact O-CG 3.31Å; N134-R138 WeakPolarHBondContact O-CG 3.36Å; N134-R138 PolarHBondContact O-N 2.86Å; N134-R138 VanDerWaalsContact O-N 3.14Å; Y135-R138 PolarHBondContact O-N 2.92Å; R138-C140 VanDerWaalsContact C-N 3.27Å; R138-C140 PolarHBondContact O-N 3.41Å; R138-N141 CarbonylContact O-C 3.49Å; R138-N141 PolarHBondContact O-N 3.22Å; R138-D142 WeakPolarHBondContact O-CB 3.38Å; R138-D142 VanDerWaalsContact O-CG 3.32Å; R138-D142 PolarHBondContact O-N 3.04Å
139M90.5Very high85.2Confident21 Ų2158.5 Ų58.510%0.10328%0.277CS..Hα-helixtrans-51.2-45.4178.2-68.3-175.1-65.400112.4L97 G98 L101 Y135 L136 D142 L143L97-M139 HydrophobicContact CB-CE 4.39Å; L97-M139 HydrophobicContact CB-SD 3.82Å; G98-M139 WeakPolarHBondContact CA-SD 3.4Å; G98-M139 PolarHBondContact N-SD 2.98Å; L101-M139 HydrophobicContact CD1-CB 4.4Å; L101-M139 HydrophobicContact CD1-SD 4.15Å; Y135-M139 WeakPolarHBondContact O-CG 3.31Å; Y135-M139 PolarHBondContact O-N 3.17Å; L136-M139 HydrophobicContact CD2-CE 3.77Å; L136-M139 HydrophobicContact CG-CE 4.22Å; M139-D142 PolarHBondContact O-N 3.16Å; M139-L143 WeakPolarHBondContact O-CB 3.33Å; M139-L143 VanDerWaalsContact O-CG 3.31Å; M139-L143 WeakPolarHBondContact O-CG 3.46Å; M139-L143 PolarHBondContact O-N 2.73Å
140C90.1Very high84.4Confident3 Ų360.6 Ų60.62%0.0230%0.299CS..Hα-helixtrans-67.5-39.9178.7-65.30000112.6L136 L137 R138 L144 I159 L163L136-C140 WeakPolarHBondContact O-CB 3.49Å; L136-C140 PolarHBondContact O-N 3.46Å; L136-C140 PolarHBondContact O-SG 3.42Å; L137-C140 PolarHBondContact O-N 3.05Å; R138-C140 VanDerWaalsContact C-N 3.27Å; R138-C140 PolarHBondContact O-N 3.41Å; C140-L144 WeakPolarHBondContact O-CB 3.45Å; C140-L144 VanDerWaalsContact O-CG 3.23Å; C140-L144 WeakPolarHBondContact O-CG 3.26Å; C140-L144 PolarHBondContact O-N 3.39Å; C140-I159 HydrophobicContact CB-CG2 3.6Å; C140-L163 HydrophobicContact CB-CD1 3.75Å; C140-L163 HydrophobicContact CB-CD2 3.8Å; C140-L163 HydrophobicContact CB-CG 3.91Å
141N88.6Confident83.9Confident85 Ų8564.4 Ų64.446%0.45531%0.307SS..Hα-helixtrans-69.2-37.3176.7-71.6-22.5000112.4L137 R138 L144 R145L137-N141 WeakPolarHBondContact O-CB 3.47Å; L137-N141 PolarHBondContact O-N 3.18Å; L137-N141 PolarHBondContact O-ND2 2.63Å; R138-N141 CarbonylContact O-C 3.49Å; R138-N141 PolarHBondContact O-N 3.22Å; N141-L144 PolarHBondContact O-N 2.97Å; N141-R145 WeakPolarHBondContact O-CB 3.4Å; N141-R145 PolarHBondContact O-N 3.25Å
142D89Confident83.7Confident37 Ų3765.1 Ų65.120%0.19831%0.307CS..Hα-helixtrans-70.7-38.5177.9-66.1-46.4000110.9R138 M139 R145 R146R138-D142 WeakPolarHBondContact O-CB 3.38Å; R138-D142 VanDerWaalsContact O-CG 3.32Å; R138-D142 PolarHBondContact O-N 3.04Å; M139-D142 PolarHBondContact O-N 3.16Å; D142-R145 PolarHBondContact O-N 3.27Å; D142-R145 IonicContact OD1-CZ 3.7Å; D142-R145 IonicContact OD1-NH1 3.54Å; D142-R145 PolarHBondContact OD1-NH1 3.15Å; D142-R145 IonicContact OD1-NH2 3.13Å; D142-R145 PolarHBondContact OD1-NH2 2.99Å; D142-R146 WeakPolarHBondContact O-CG 3.43Å; D142-R146 PolarHBondContact O-N 2.91Å
143L88.5Confident83.8Confident2 Ų268.1 Ų68.11%0.0133%0.325CS..Hα-helixtrans-59.8-50.8166.2-74.5175.7000111.7L101 C109 F113 M139 R145 R146 L147 I159L101-L143 HydrophobicContact CD1-CD1 4.2Å; L101-L143 HydrophobicContact CD2-CD1 4.43Å; C109-L143 HydrophobicContact CB-CD2 4.42Å; F113-L143 HydrophobicContact CD2-CD1 4.22Å; F113-L143 HydrophobicContact CE2-CD1 4.47Å; M139-L143 WeakPolarHBondContact O-CB 3.33Å; M139-L143 VanDerWaalsContact O-CG 3.31Å; M139-L143 WeakPolarHBondContact O-CG 3.46Å; M139-L143 PolarHBondContact O-N 2.73Å; L143-R145 PolarHBondContact O-N 3.42Å; L143-R146 PolarHBondContact O-N 3.02Å; L143-L147 WeakPolarHBondContact O-CB 3.33Å; L143-L147 WeakPolarHBondContact O-CG 3.39Å; L143-L147 PolarHBondContact O-N 3.27Å; L143-I159 HydrophobicContact CB-CD1 3.88Å; L143-I159 HydrophobicContact CD1-CD1 4.11Å
144L86.9Confident83.9Confident38 Ų3870.8 Ų70.820%0.19935%0.346CS..Hα-helixtrans-60.6-25.6178.4-73.9170.1000113.4C140 N141 C156 I159 Q160C140-L144 WeakPolarHBondContact O-CB 3.45Å; C140-L144 VanDerWaalsContact O-CG 3.23Å; C140-L144 WeakPolarHBondContact O-CG 3.26Å; C140-L144 PolarHBondContact O-N 3.39Å; N141-L144 PolarHBondContact O-N 2.97Å; L144-C156 HydrophobicContact CD2-CB 3.83Å; L144-I159 HydrophobicContact CD1-CG2 4.13Å; L144-I159 HydrophobicContact CD2-CB 4.43Å; L144-I159 HydrophobicContact CD2-CG2 4.36Å; L144-I159 HydrophobicContact CG-CG2 4.01Å; L144-Q160 HydrophobicContact CD1-CG 4.48Å
145R85.9Confident83.8Confident185 Ų18567.6 Ų67.670%0.69833%0.328SS*.Hα-helixtrans-80.7-31.7173-171.4173.768.3-114.4-6.7113N141 D142 L143N141-R145 WeakPolarHBondContact O-CB 3.4Å; N141-R145 PolarHBondContact O-N 3.25Å; D142-R145 PolarHBondContact O-N 3.27Å; D142-R145 IonicContact OD1-CZ 3.7Å; D142-R145 IonicContact OD1-NH1 3.54Å; D142-R145 PolarHBondContact OD1-NH1 3.15Å; D142-R145 IonicContact OD1-NH2 3.13Å; D142-R145 PolarHBondContact OD1-NH2 2.99Å; L143-R145 PolarHBondContact O-N 3.42Å
146R84.9Confident83.8Confident90 Ų9064.6 Ų64.634%0.3432%0.318SS..Hα-helixtrans-81.3-24.8177.8-74.7168.963.6-153.8-1.4113.4L101 D102 L104 D142 L143L101-R146 PolarHBondContact O-NH1 3.01Å; L101-R146 PolarHBondContact O-NH2 3.42Å; D102-R146 IonicContact OD1-NH1 3.53Å; D102-R146 PolarHBondContact OD1-NH1 2.99Å; L104-R146 PolarHBondContact O-NH2 3.29Å; D142-R146 WeakPolarHBondContact O-CG 3.43Å; D142-R146 PolarHBondContact O-N 2.91Å; L143-R146 PolarHBondContact O-N 3.02Å
147L83.4Confident83.7Confident8 Ų865.6 Ų65.64%0.04233%0.33CS..SBendtrans-78.3134.3-177.4-71.4167.3000112.7L106 L143 K149 N152 F155 I159L106-L147 HydrophobicContact CD1-CD2 4.02Å; L106-L147 HydrophobicContact CD2-CD2 3.72Å; L106-L147 HydrophobicContact CG-CD2 4.37Å; L143-L147 WeakPolarHBondContact O-CB 3.33Å; L143-L147 WeakPolarHBondContact O-CG 3.39Å; L143-L147 PolarHBondContact O-N 3.27Å; L147-K149 PolarHBondContact O-N 2.91Å; L147-N152 HydrophobicContact CD2-CB 3.9Å; L147-F155 HydrophobicContact CD1-CD1 3.42Å; L147-F155 VanDerWaalsContact CD1-CD1 3.42Å; L147-F155 HydrophobicContact CD1-CE1 3.76Å; L147-F155 HydrophobicContact CD1-CG 4.37Å; L147-F155 HydrophobicContact CD2-CD1 3.57Å; L147-F155 HydrophobicContact CD2-CE1 3.97Å; L147-F155 HydrophobicContact CG-CD1 4.13Å; L147-F155 HydrophobicContact CG-CE1 4.4Å; L147-I159 HydrophobicContact CD1-CD1 3.53Å
148S74.6Confident83.9Confident49 Ų4967 Ų6734%0.34333%0.333SS..  trans-64.9123.8167.9179.70000110.6S150 N152S148-S150 PolarHBondContact O-N 3.39Å; S148-S150 PolarHBondContact OG-N 3.32Å; S148-S150 PolarHBondContact OG-OG 3.45Å; S148-N152 PolarHBondContact O-N 2.92Å
149K68.9Low83.9Confident147 Ų14759.9 Ų59.964%0.63931%0.306SS*.THydrogen-bonded Turntrans-71.20.5177.4-62.5177.3-177.9172.20113.3L147 T153 E184L147-K149 PolarHBondContact O-N 2.91Å; K149-T153 WeakPolarHBondContact O-CG2 3.41Å; K149-E184 IonicContact NZ-OE2 3.57Å; K149-E184 PolarHBondContact NZ-OE2 3.49Å
150S67.4Low83.8Confident90 Ų9064.5 Ų64.563%0.62933%0.328SS*.THydrogen-bonded Turntrans-101.4-49.3177.159.80000114S148S148-S150 PolarHBondContact O-N 3.39Å; S148-S150 PolarHBondContact OG-N 3.32Å; S148-S150 PolarHBondContact OG-OG 3.45Å
151Q71.6Confident83.8Confident159 Ų15970.3 Ų70.374%0.74336%0.358SS*.THydrogen-bonded Turntrans-92.2-39.1-174.8-70.8169.3-17.600112.8T153Q151-T153 PolarHBondContact O-N 2.58Å
152N78.8Confident83.9Confident50 Ų5066.6 Ų66.627%0.26734%0.337SS..  trans-98.630.5-170.1-64.6-27.9000113.3L147 S148 V154 F155 C156L147-N152 HydrophobicContact CD2-CB 3.9Å; S148-N152 PolarHBondContact O-N 2.92Å; N152-V154 VanDerWaalsContact C-N 3.31Å; N152-V154 PolarHBondContact O-N 3.03Å; N152-F155 PolarHBondContact O-N 3.43Å; N152-F155 VanDerWaalsContact O-N 3.14Å; N152-C156 PolarHBondContact O-N 2.97Å; N152-C156 PolarHBondContact O-SG 3.49Å; N152-C156 VanDerWaalsContact O-SG 3.41Å
153T82.9Confident83.9Confident63 Ų6366 Ų6639%0.38733%0.334SS..Hα-helixtrans-59.2-39.1-176.853.90000112.7K149 Q151 C156 G157K149-T153 WeakPolarHBondContact O-CG2 3.41Å; Q151-T153 PolarHBondContact O-N 2.58Å; T153-C156 PolarHBondContact O-N 3.38Å; T153-G157 PolarHBondContact O-N 3.09Å
154V86.3Confident83.7Confident112 Ų11269.4 Ų69.468%0.67936%0.362SS*.Hα-helixtrans-62.1-42.9176.1-179.60000111.4N152 G157 R158N152-V154 VanDerWaalsContact C-N 3.31Å; N152-V154 PolarHBondContact O-N 3.03Å; V154-G157 PolarHBondContact O-N 3.5Å; V154-R158 PolarHBondContact O-N 3.14Å
155F86.3Confident83.7Confident18 Ų1875 Ų758%0.07938%0.381CS..Hα-helixtrans-71.5-40.3179.3-175.1-130.8000111.8D110 F113 L147 N152 G157 R158 I159D110-F155 HydrophobicContact CB-CD2 4.31Å; D110-F155 HydrophobicContact CB-CE2 4.08Å; D110-F155 HydrophobicContact CB-CZ 4.33Å; D110-F155 VanDerWaalsContact OD1-CD2 3.24Å; D110-F155 WeakPolarHBondContact OD1-CD2 3.29Å; D110-F155 WeakPolarHBondContact OD1-CE2 3.26Å; F113-F155 HydrophobicContact CB-CE2 3.61Å; F113-F155 HydrophobicContact CB-CZ 3.91Å; F113-F155 AromaticContact CD1-CE2 3.84Å; F113-F155 HydrophobicContact CD1-CE2 3.84Å; F113-F155 AromaticContact CG-CE2 3.74Å; F113-F155 HydrophobicContact CG-CE2 3.74Å; F113-F155 HydrophobicContact CG-CZ 4.12Å; L147-F155 HydrophobicContact CD1-CD1 3.42Å; L147-F155 VanDerWaalsContact CD1-CD1 3.42Å; L147-F155 HydrophobicContact CD1-CE1 3.76Å; L147-F155 HydrophobicContact CD1-CG 4.37Å; L147-F155 HydrophobicContact CD2-CD1 3.57Å; L147-F155 HydrophobicContact CD2-CE1 3.97Å; L147-F155 HydrophobicContact CG-CD1 4.13Å; L147-F155 HydrophobicContact CG-CE1 4.4Å; N152-F155 PolarHBondContact O-N 3.43Å; N152-F155 VanDerWaalsContact O-N 3.14Å; F155-G157 VanDerWaalsContact C-N 3.28Å; F155-G157 PolarHBondContact O-N 3.4Å; F155-R158 PolarHBondContact O-N 3.21Å; F155-I159 HydrophobicContact CD1-CD1 4.15Å; F155-I159 HydrophobicContact CE1-CD1 3.92Å; F155-I159 HydrophobicContact CE2-CD1 4.36Å; F155-I159 HydrophobicContact CE2-CG1 4.34Å; F155-I159 HydrophobicContact CG-CD1 4.47Å; F155-I159 HydrophobicContact CZ-CD1 4.02Å; F155-I159 HydrophobicContact CZ-CG1 4.41Å; F155-I159 WeakPolarHBondContact O-CG1 3.33Å; F155-I159 PolarHBondContact O-N 3.49Å
156C87.5Confident83.6Confident16 Ų1666.2 Ų66.211%0.10835%0.348CS..Hα-helixtrans-55.8-42.8168.7-68.40000112.1L144 N152 T153 I159 Q160L144-C156 HydrophobicContact CD2-CB 3.83Å; N152-C156 PolarHBondContact O-N 2.97Å; N152-C156 PolarHBondContact O-SG 3.49Å; N152-C156 VanDerWaalsContact O-SG 3.41Å; T153-C156 PolarHBondContact O-N 3.38Å; C156-I159 PolarHBondContact O-N 2.99Å; C156-Q160 WeakPolarHBondContact O-CG 3.3Å; C156-Q160 PolarHBondContact O-N 2.87Å
157G88.8Confident83.4Confident26 Ų2662.6 Ų62.627%0.26834%0.335SS..Hα-helixtrans-62.6-43.3175.500000112.9T153 V154 F155 I159 Q160 L161T153-G157 PolarHBondContact O-N 3.09Å; V154-G157 PolarHBondContact O-N 3.5Å; F155-G157 VanDerWaalsContact C-N 3.28Å; F155-G157 PolarHBondContact O-N 3.4Å; G157-I159 PolarHBondContact O-N 2.92Å; G157-Q160 PolarHBondContact O-N 2.92Å; G157-L161 WeakPolarHBondContact O-CB 3.49Å; G157-L161 WeakPolarHBondContact O-CG 3.47Å; G157-L161 PolarHBondContact O-N 3.48Å
158R91.3Very high83.1Confident59 Ų5964.8 Ų64.822%0.22335%0.349CS..Hα-helixtrans-60.1-42.5173.7-80174.458.3-151.6-12.3112.7D110 E117 V154 F155 Q160 L161 F162D110-R158 VanDerWaalsContact CG-NH1 3.34Å; D110-R158 IonicContact OD1-CZ 2.73Å; D110-R158 IonicContact OD1-NH1 3.7Å; D110-R158 PolarHBondContact OD1-NH1 2.99Å; D110-R158 IonicContact OD1-NH2 2.64Å; D110-R158 PolarHBondContact OD1-NH2 2.8Å; D110-R158 IonicContact OD2-NH1 2.66Å; D110-R158 PolarHBondContact OD2-NH1 3.32Å; E117-R158 IonicContact OE1-CZ 3.8Å; E117-R158 IonicContact OE1-NE 2.99Å; E117-R158 PolarHBondContact OE1-NE 3.27Å; E117-R158 IonicContact OE1-NH2 3.24Å; E117-R158 IonicContact OE2-CZ 2.79Å; E117-R158 IonicContact OE2-NE 2.7Å; E117-R158 PolarHBondContact OE2-NE 3.43Å; E117-R158 IonicContact OE2-NH2 3.78Å; E117-R158 PolarHBondContact OE2-NH2 2.98Å; V154-R158 PolarHBondContact O-N 3.14Å; F155-R158 PolarHBondContact O-N 3.21Å; R158-Q160 PolarHBondContact O-N 3.15Å; R158-L161 PolarHBondContact O-N 3.07Å; R158-F162 WeakPolarHBondContact O-CB 3.45Å; R158-F162 PolarHBondContact O-N 2.71Å
159I90.6Very high82.9Confident0 Ų068 Ų680%036%0.362CS..Hα-helixtrans-61-44.6175.1-65.9162.6000111.1F113 C140 L143 L144 L147 F155 C156 G157 F162 L163F113-I159 HydrophobicContact CD1-CG1 4.45Å; F113-I159 HydrophobicContact CD2-CG1 4.41Å; F113-I159 HydrophobicContact CE1-CG1 3.97Å; F113-I159 HydrophobicContact CE2-CG1 3.93Å; F113-I159 HydrophobicContact CZ-CB 4.14Å; F113-I159 HydrophobicContact CZ-CG1 3.7Å; F113-I159 HydrophobicContact CZ-CG2 4.46Å; C140-I159 HydrophobicContact CB-CG2 3.6Å; L143-I159 HydrophobicContact CB-CD1 3.88Å; L143-I159 HydrophobicContact CD1-CD1 4.11Å; L144-I159 HydrophobicContact CD1-CG2 4.13Å; L144-I159 HydrophobicContact CD2-CB 4.43Å; L144-I159 HydrophobicContact CD2-CG2 4.36Å; L144-I159 HydrophobicContact CG-CG2 4.01Å; L147-I159 HydrophobicContact CD1-CD1 3.53Å; F155-I159 HydrophobicContact CD1-CD1 4.15Å; F155-I159 HydrophobicContact CE1-CD1 3.92Å; F155-I159 HydrophobicContact CE2-CD1 4.36Å; F155-I159 HydrophobicContact CE2-CG1 4.34Å; F155-I159 HydrophobicContact CG-CD1 4.47Å; F155-I159 HydrophobicContact CZ-CD1 4.02Å; F155-I159 HydrophobicContact CZ-CG1 4.41Å; F155-I159 WeakPolarHBondContact O-CG1 3.33Å; F155-I159 PolarHBondContact O-N 3.49Å; C156-I159 PolarHBondContact O-N 2.99Å; G157-I159 PolarHBondContact O-N 2.92Å; I159-F162 PolarHBondContact O-N 3.34Å; I159-L163 HydrophobicContact CG2-CD1 4.44Å; I159-L163 WeakPolarHBondContact O-CG 3.39Å; I159-L163 PolarHBondContact O-N 3.48Å
160Q88.4Confident82.8Confident118 Ų11863.1 Ų63.155%0.55135%0.346SS*.Hα-helixtrans-65.7-41.4177.3-70.4176.3-0.100112.5L144 C156 G157 R158 F162 L163 A164L144-Q160 HydrophobicContact CD1-CG 4.48Å; C156-Q160 WeakPolarHBondContact O-CG 3.3Å; C156-Q160 PolarHBondContact O-N 2.87Å; G157-Q160 PolarHBondContact O-N 2.92Å; R158-Q160 PolarHBondContact O-N 3.15Å; Q160-F162 VanDerWaalsContact C-N 3.33Å; Q160-F162 PolarHBondContact O-N 3.19Å; Q160-L163 PolarHBondContact O-N 2.88Å; Q160-A164 WeakPolarHBondContact O-CB 3.29Å; Q160-A164 PolarHBondContact O-N 3.48Å
161L89.9Confident83.2Confident125 Ų12560.2 Ų60.265%0.65432%0.323SS*.Hα-helixtrans-63.3-37.9174.2-72.4171.9000112.1G157 R158 R165G157-L161 WeakPolarHBondContact O-CB 3.49Å; G157-L161 WeakPolarHBondContact O-CG 3.47Å; G157-L161 PolarHBondContact O-N 3.48Å; R158-L161 PolarHBondContact O-N 3.07Å; L161-R165 WeakPolarHBondContact O-CB 3Å; L161-R165 PolarHBondContact O-N 3.48Å
162F90.3Very high83.2Confident6 Ų660 Ų603%0.02632%0.319CS..Hα-helixtrans-65.3-44.2174.3172.3-100.2000112.1F113 V116 E117 V120 L136 R158 I159 Q160 R165 L166F113-F162 HydrophobicContact CE1-CB 3.93Å; F113-F162 HydrophobicContact CE1-CG 4.25Å; F113-F162 HydrophobicContact CE2-CD1 4.17Å; F113-F162 HydrophobicContact CZ-CB 3.65Å; F113-F162 AromaticContact CZ-CD1 3.65Å; F113-F162 HydrophobicContact CZ-CD1 3.65Å; F113-F162 HydrophobicContact CZ-CD2 4.46Å; F113-F162 HydrophobicContact CZ-CE1 4.42Å; F113-F162 AromaticContact CZ-CG 3.68Å; F113-F162 HydrophobicContact CZ-CG 3.68Å; V116-F162 HydrophobicContact CG1-CD2 4.48Å; V116-F162 HydrophobicContact CG1-CE1 3.86Å; V116-F162 HydrophobicContact CG1-CE2 3.61Å; V116-F162 HydrophobicContact CG1-CZ 3.26Å; E117-F162 HydrophobicContact CG-CD2 4.28Å; V120-F162 HydrophobicContact CG2-CD2 3.77Å; V120-F162 HydrophobicContact CG2-CE2 3.5Å; L136-F162 HydrophobicContact CD2-CE1 4.17Å; L136-F162 HydrophobicContact CD2-CZ 4.1Å; R158-F162 WeakPolarHBondContact O-CB 3.45Å; R158-F162 PolarHBondContact O-N 2.71Å; I159-F162 PolarHBondContact O-N 3.34Å; Q160-F162 VanDerWaalsContact C-N 3.33Å; Q160-F162 PolarHBondContact O-N 3.19Å; F162-R165 PolarHBondContact O-N 3.25Å; F162-L166 HydrophobicContact CD1-CD1 3.92Å; F162-L166 HydrophobicContact CE1-CD1 3.26Å; F162-L166 HydrophobicContact CE1-CG 4.16Å; F162-L166 HydrophobicContact CE2-CD1 4.27Å; F162-L166 HydrophobicContact CE2-CG 4.36Å; F162-L166 HydrophobicContact CZ-CD1 3.45Å; F162-L166 VanDerWaalsContact CZ-CD1 3.45Å; F162-L166 HydrophobicContact CZ-CG 3.99Å; F162-L166 PolarHBondContact O-N 3.02Å
163L87.8Confident82.8Confident25 Ų2560.9 Ų60.913%0.13133%0.33CS..Hα-helixtrans-61.1-47.8173.8-73.7174000111.8L137 C140 I159 Q160 R165 L166 F167L137-L163 HydrophobicContact CD2-CD2 4.05Å; C140-L163 HydrophobicContact CB-CD1 3.75Å; C140-L163 HydrophobicContact CB-CD2 3.8Å; C140-L163 HydrophobicContact CB-CG 3.91Å; I159-L163 HydrophobicContact CG2-CD1 4.44Å; I159-L163 WeakPolarHBondContact O-CG 3.39Å; I159-L163 PolarHBondContact O-N 3.48Å; Q160-L163 PolarHBondContact O-N 2.88Å; L163-R165 PolarHBondContact O-N 2.83Å; L163-L166 WeakPolarHBondContact O-CB 3.31Å; L163-L166 PolarHBondContact O-N 2.93Å; L163-L166 VanDerWaalsContact O-N 3.14Å; L163-F167 HydrophobicContact CD2-CE2 3.98Å; L163-F167 WeakPolarHBondContact O-CD2 3.23Å; L163-F167 PolarHBondContact O-N 3.04Å
164A86.2Confident82.2Confident73 Ų7360.4 Ų60.460%0.60334%0.338SS*.Hα-helixtrans-63.3-29176.200000112.6Q160Q160-A164 WeakPolarHBondContact O-CB 3.29Å; Q160-A164 PolarHBondContact O-N 3.48Å
165R86.8Confident81.7Confident155 Ų15556.8 Ų56.859%0.58531%0.314SS*.Hα-helixtrans-77.1-35173.3-172.5177.9-179-175.7-0.1112.3V120 K124 L161 F162 L163V120-R165 HydrophobicContact CG1-CG 4.19Å; K124-R165 WeakPolarHBondContact CE-O 3.46Å; K124-R165 PolarHBondContact NZ-O 2.96Å; L161-R165 WeakPolarHBondContact O-CB 3Å; L161-R165 PolarHBondContact O-N 3.48Å; F162-R165 PolarHBondContact O-N 3.25Å; L163-R165 PolarHBondContact O-N 2.83Å
166L83.6Confident81.5Confident2 Ų260 Ų601%0.0133%0.332CS..Hα-helixtrans-65.7-56.6177.6-95.3171.3000111.3W123 K124 L136 F162 L163W123-L166 HydrophobicContact CB-CD2 4.07Å; K124-L166 VanDerWaalsContact CE-O 3.28Å; K124-L166 WeakPolarHBondContact CE-O 3.41Å; K124-L166 PolarHBondContact NZ-O 3.4Å; L136-L166 HydrophobicContact CB-CD1 4.06Å; L136-L166 HydrophobicContact CD1-CD1 3.83Å; L136-L166 HydrophobicContact CD1-CD2 4.05Å; L136-L166 HydrophobicContact CD2-CD1 4.36Å; L136-L166 HydrophobicContact CG-CD1 4.31Å; F162-L166 HydrophobicContact CD1-CD1 3.92Å; F162-L166 HydrophobicContact CE1-CD1 3.26Å; F162-L166 HydrophobicContact CE1-CG 4.16Å; F162-L166 HydrophobicContact CE2-CD1 4.27Å; F162-L166 HydrophobicContact CE2-CG 4.36Å; F162-L166 HydrophobicContact CZ-CD1 3.45Å; F162-L166 VanDerWaalsContact CZ-CD1 3.45Å; F162-L166 HydrophobicContact CZ-CG 3.99Å; F162-L166 PolarHBondContact O-N 3.02Å; L163-L166 WeakPolarHBondContact O-CB 3.31Å; L163-L166 PolarHBondContact O-N 2.93Å; L163-L166 VanDerWaalsContact O-N 3.14Å
167F81.1Confident81Confident13 Ų1361.1 Ų61.16%0.05734%0.337CS..SBendtrans-80.5130.4-172-68.5-66000112.1K133 L137 L163 E171K133-F167 HydrophobicContact CB-CE1 4.02Å; K133-F167 HydrophobicContact CB-CZ 4.23Å; L137-F167 HydrophobicContact CD1-CE1 4.25Å; L137-F167 HydrophobicContact CD1-CE2 4.04Å; L137-F167 HydrophobicContact CD1-CZ 3.52Å; L137-F167 HydrophobicContact CD2-CE2 3.61Å; L137-F167 HydrophobicContact CD2-CZ 3.99Å; L137-F167 HydrophobicContact CG-CE2 3.64Å; L137-F167 HydrophobicContact CG-CZ 3.52Å; L163-F167 HydrophobicContact CD2-CE2 3.98Å; L163-F167 WeakPolarHBondContact O-CD2 3.23Å; L163-F167 PolarHBondContact O-N 3.04Å; F167-E171 HydrophobicContact CD1-CB 4.4Å; F167-E171 HydrophobicContact CD1-CG 4.07Å
168P76.2Confident80.2Confident54 Ų5465.9 Ų65.935%0.35135%0.352SS..  trans-57.8147.8165.2-22.233.3000111Y129 S170 E171Y129-P168 WeakPolarHBondContact OH-CD 3.41Å; P168-S170 PolarHBondContact O-N 3.06Å; P168-E171 PolarHBondContact O-N 2.84Å
169L70.1Confident79.7Confident116 Ų11664.2 Ų64.261%0.60735%0.35SS*.THydrogen-bonded Turntrans-58.7-18.9178.3-68171.5000114.1L175L169-L175 WeakPolarHBondContact O-CD1 3.25Å
170S67.5Low79.2Confident45 Ų4570.3 Ų70.332%0.31538%0.378SS..THydrogen-bonded Turntrans-90-6.2175.549.30000114.3P168 K172P168-S170 PolarHBondContact O-N 3.06Å; S170-K172 PolarHBondContact O-N 3.05Å
171E75.4Confident79Confident30 Ų3068.4 Ų68.414%0.1437%0.368CS..  trans-79.4117.6178.6-176.4151-177.100111.2Y129 K133 F167 P168 S173 G174Y129-E171 PolarHBondContact OH-OE2 3.34Å; K133-E171 IonicContact NZ-OE1 2.92Å; K133-E171 PolarHBondContact NZ-OE1 3.44Å; F167-E171 HydrophobicContact CD1-CB 4.4Å; F167-E171 HydrophobicContact CD1-CG 4.07Å; P168-E171 PolarHBondContact O-N 2.84Å; E171-S173 PolarHBondContact O-N 3.27Å; E171-G174 PolarHBondContact O-N 3.36Å
172K72.1Confident78.7Confident153 Ų15367.5 Ų67.567%0.66536%0.364SS*.G310 helixtrans-52.3-28.2-177.1-58.3-173.1179.6177.90114.1S170 G174 L175 L177S170-K172 PolarHBondContact O-N 3.05Å; K172-G174 VanDerWaalsContact C-N 3.33Å; K172-L175 PolarHBondContact O-N 2.97Å; K172-L177 HydrophobicContact CB-CD1 3.77Å; K172-L177 HydrophobicContact CD-CD1 4.13Å; K172-L177 HydrophobicContact CG-CD1 3.87Å
173S69.1Low78.3Confident70 Ų7071.2 Ų71.249%0.4938%0.384SS..G310 helixtrans-72.1-21.8177.9-59.40000114.3E171E171-S173 PolarHBondContact O-N 3.27Å
174G71.1Confident77.6Confident53 Ų5377 Ų7755%0.54641%0.41SS..G310 helixtrans-89.8-0.1173.600000114E171 K172E171-G174 PolarHBondContact O-N 3.36Å; K172-G174 VanDerWaalsContact C-N 3.33Å
175L75.9Confident77.1Confident35 Ų3577.2 Ų77.218%0.18340%0.401CS..SBendtrans-120.2127.8-171.1-65.1169.1000110.9L169 K172 L177 W391 C396L169-L175 WeakPolarHBondContact O-CD1 3.25Å; K172-L175 PolarHBondContact O-N 2.97Å; L175-L177 HydrophobicContact CB-CD2 4.16Å; L175-L177 HydrophobicContact CB-CG 4.01Å; L175-L177 HydrophobicContact CD1-CD2 4.3Å; L175-L177 PolarHBondContact O-N 2.88Å; L175-W391 HydrophobicContact CD2-CH2 4.49Å; L175-W391 HydrophobicContact CD2-CZ3 4.5Å; L175-C396 HydrophobicContact CD1-CB 3.69Å
176N82.2Confident76.6Confident87 Ų8772.8 Ų72.847%0.46539%0.391SS..  trans-73.965.9168.9-177.77.2000110.4Q178 S179 Q180 K392N176-Q178 PolarHBondContact O-N 3.39Å; N176-S179 PolarHBondContact O-N 2.88Å; N176-S179 WeakPolarHBondContact OD1-CA 3.25Å; N176-S179 PolarHBondContact OD1-N 3.06Å; N176-S179 VanDerWaalsContact OD1-N 3.08Å; N176-Q180 PolarHBondContact ND2-N 3.33Å; N176-Q180 PolarHBondContact ND2-O 3.33Å; N176-Q180 PolarHBondContact OD1-N 3.04Å; N176-K392 WeakPolarHBondContact O-CE 3.36Å; N176-K392 PolarHBondContact O-NZ 3.02Å
177L76.6Confident76.4Confident39 Ų3973.8 Ų73.820%0.20440%0.397CS..THydrogen-bonded Turntrans-57.2-48.8-176.2-71.5174.4000111.4K172 L175 S179 F338K172-L177 HydrophobicContact CB-CD1 3.77Å; K172-L177 HydrophobicContact CD-CD1 4.13Å; K172-L177 HydrophobicContact CG-CD1 3.87Å; L175-L177 HydrophobicContact CB-CD2 4.16Å; L175-L177 HydrophobicContact CB-CG 4.01Å; L175-L177 HydrophobicContact CD1-CD2 4.3Å; L175-L177 PolarHBondContact O-N 2.88Å; L177-S179 PolarHBondContact O-N 3.41Å; L177-S179 PolarHBondContact O-OG 3.34Å; L177-F338 HydrophobicContact CB-CE2 4.46Å; L177-F338 WeakPolarHBondContact O-CD2 3.41Å; L177-F338 WeakPolarHBondContact O-CE2 3.32Å
178Q72.8Confident76.3Confident125 Ų12578.6 Ų78.658%0.58443%0.427SS*.THydrogen-bonded Turntrans-63.2-10.4178.6-65.2-175.75.100113.8N176 Q180N176-Q178 PolarHBondContact O-N 3.39Å; Q178-Q180 VanDerWaalsContact C-N 3.29Å; Q178-Q180 HydrophobicContact CB-CG 4.05Å; Q178-Q180 PolarHBondContact O-N 2.67Å
179S79.8Confident76.4Confident25 Ų2577.7 Ų77.718%0.17542%0.418CS..  trans58.938.5178.4-47.70000113.1N176 L177 K392N176-S179 PolarHBondContact O-N 2.88Å; N176-S179 WeakPolarHBondContact OD1-CA 3.25Å; N176-S179 PolarHBondContact OD1-N 3.06Å; N176-S179 VanDerWaalsContact OD1-N 3.08Å; L177-S179 PolarHBondContact O-N 3.41Å; L177-S179 PolarHBondContact O-OG 3.34Å; S179-K392 PolarHBondContact OG-NZ 3.07Å
180Q81Confident76.6Confident128 Ų12873.9 Ų73.960%0.59840%0.398SS*.  trans-68.6141.9176.9-64-174.3-2.900111N176 Q178N176-Q180 PolarHBondContact ND2-N 3.33Å; N176-Q180 PolarHBondContact ND2-O 3.33Å; N176-Q180 PolarHBondContact OD1-N 3.04Å; Q178-Q180 VanDerWaalsContact C-N 3.29Å; Q178-Q180 HydrophobicContact CB-CG 4.05Å; Q178-Q180 PolarHBondContact O-N 2.67Å
181F84.6Confident76.7Confident77 Ų7775.3 Ų75.334%0.33841%0.405SS..  trans-88.2145.3176.7-61.6-74.1000111.6L183 P248 V249 Y331F181-L183 VanDerWaalsContact C-N 3.33Å; F181-L183 HydrophobicContact CB-CD2 4.14Å; F181-L183 HydrophobicContact CB-CG 4.44Å; F181-L183 PolarHBondContact O-N 3.33Å; F181-P248 HydrophobicContact CD1-CG 4.06Å; F181-P248 HydrophobicContact CD2-CG 4.43Å; F181-P248 HydrophobicContact CE1-CG 3.52Å; F181-P248 HydrophobicContact CE2-CG 3.93Å; F181-P248 HydrophobicContact CZ-CG 3.46Å; F181-P248 VanDerWaalsContact CZ-CG 3.46Å; F181-V249 HydrophobicContact CD2-CG2 4.31Å; F181-V249 HydrophobicContact CE2-CG2 4.03Å; F181-Y331 HydrophobicContact CZ-CE1 4.2Å; F181-Y331 AromaticContact CZ-CE2 3.8Å; F181-Y331 HydrophobicContact CZ-CE2 3.8Å; F181-Y331 AromaticContact CZ-CZ 3.58Å
182N81.8Confident76.2Confident106 Ų10677.6 Ų77.657%0.56742%0.419SS*.  trans-79.780.9175.2-176.62.7000111E184 N185N182-E184 PolarHBondContact O-N 3.05Å; N182-E184 PolarHBondContact OD1-N 3.26Å; N182-N185 PolarHBondContact O-N 3.49Å
183L82.6Confident75.6Confident85 Ų8576.1 Ų76.145%0.44541%0.414SS..THydrogen-bonded Turntrans-72.2-7.3-179.1-59.6-179.7000114.2F181 R246 N247F181-L183 VanDerWaalsContact C-N 3.33Å; F181-L183 HydrophobicContact CB-CD2 4.14Å; F181-L183 HydrophobicContact CB-CG 4.44Å; F181-L183 PolarHBondContact O-N 3.33Å; L183-R246 PolarHBondContact O-NH2 2.87Å; L183-N247 HydrophobicContact CD2-CB 3.92Å
184E73.3Confident74.8Confident145 Ų14581.9 Ų81.968%0.67843%0.433SS*.THydrogen-bonded Turntrans-75.6-24.2174.3-63.6-17417800113.3K149 N182 V186K149-E184 IonicContact NZ-OE2 3.57Å; K149-E184 PolarHBondContact NZ-OE2 3.49Å; N182-E184 PolarHBondContact O-N 3.05Å; N182-E184 PolarHBondContact OD1-N 3.26Å; E184-V186 VanDerWaalsContact C-N 3.25Å; E184-V186 PolarHBondContact O-N 2.92Å
185N76.6Confident74.1Confident79 Ų7985.1 Ų85.142%0.42243%0.434SS..  trans-80.474.3-177.3-167.635.1000111N182 R246 K300N182-N185 PolarHBondContact O-N 3.49Å; N185-R246 WeakPolarHBondContact O-CD 3.32Å; N185-K300 VanDerWaalsContact OD1-CE 3.26Å; N185-K300 WeakPolarHBondContact OD1-CE 3.35Å; N185-K300 PolarHBondContact OD1-NZ 3.24Å
186V75.4Confident73.1Confident62 Ų6284.1 Ų84.138%0.37643%0.43SS..  trans-75.1138.5176-160.80000110.2E184E184-V186 VanDerWaalsContact C-N 3.25Å; E184-V186 PolarHBondContact O-N 2.92Å
187T79.4Confident72.1Confident23 Ų2382.9 Ų82.914%0.14143%0.426CS..  trans-94.6106.5167.6-44.30000106.4F189 W239 Q242 T303T187-F189 WeakPolarHBondContact O-CD1 3.46Å; T187-W239 HydrophobicContact CG2-CE3 3.96Å; T187-W239 HydrophobicContact CG2-CZ3 4.02Å; T187-Q242 HydrophobicContact CG2-CG 4.13Å; T187-Q242 VanDerWaalsContact OG1-CG 3.3Å; T187-Q242 WeakPolarHBondContact OG1-CG 3.46Å; T187-T303 HydrophobicContact CG2-CG2 3.6Å
188V77.9Confident71.2Confident113 Ų11382.7 Ų82.769%0.68543%0.425SS*.  trans-85.4119.5-176.8-178.40000108.5T303V188-T303 VanDerWaalsContact O-CB 3.23Å; V188-T303 WeakPolarHBondContact O-CB 3.49Å; V188-T303 VanDerWaalsContact O-CG2 3.31Å; V188-T303 WeakPolarHBondContact O-CG2 3.32Å; V188-T303 PolarHBondContact O-OG1 3.43Å
189F79.5Confident70.1Confident36 Ų3680.6 Ų80.616%0.15844%0.436CS..  trans-131162.6179.865.8-88.2000110T187 T191 Y235 W239 T303T187-F189 WeakPolarHBondContact O-CD1 3.46Å; F189-T191 HydrophobicContact CD2-CG2 4.31Å; F189-T191 HydrophobicContact CE2-CG2 3.87Å; F189-T191 HydrophobicContact CZ-CG2 4.27Å; F189-T191 PolarHBondContact O-N 2.83Å; F189-Y235 HydrophobicContact CB-CE1 4.44Å; F189-Y235 HydrophobicContact CD2-CE1 4.31Å; F189-W239 HydrophobicContact CB-CB 3.83Å; F189-W239 HydrophobicContact CB-CG 3.85Å; F189-W239 HydrophobicContact CD1-CB 3.61Å; F189-W239 HydrophobicContact CD1-CG 4.48Å; F189-W239 HydrophobicContact CD2-CB 3.65Å; F189-W239 HydrophobicContact CD2-CG 4.4Å; F189-W239 HydrophobicContact CE1-CB 4.01Å; F189-W239 HydrophobicContact CE2-CB 4.05Å; F189-W239 HydrophobicContact CG-CB 3.42Å; F189-W239 VanDerWaalsContact CG-CB 3.42Å; F189-W239 HydrophobicContact CG-CG 4.03Å; F189-W239 HydrophobicContact CZ-CB 4.21Å; F189-T303 HydrophobicContact CB-CG2 4.1Å
190N74.1Confident68.4Low36 Ų3686.4 Ų86.419%0.19346%0.461CS..  trans-71.6126.8179.9-168.86.1000111N192 E195 Y235 E305N190-N192 PolarHBondContact OD1-N 3.37Å; N190-E195 PolarHBondContact ND2-O 3.4Å; N190-Y235 HydrophobicContact CB-CE1 4.2Å; N190-Y235 PolarHBondContact N-OH 2.69Å; N190-E305 VanDerWaalsContact CB-OE1 3.31Å; N190-E305 WeakPolarHBondContact CB-OE1 3.3Å; N190-E305 PolarHBondContact ND2-OE1 3.48Å
191T69.4Low66.3Low75 Ų7589.4 Ų89.446%0.4647%0.472SS..  trans-105.1-10.7176.653.70000113.3F189 Y232F189-T191 HydrophobicContact CD2-CG2 4.31Å; F189-T191 HydrophobicContact CE2-CG2 3.87Å; F189-T191 HydrophobicContact CZ-CG2 4.27Å; F189-T191 PolarHBondContact O-N 2.83Å; T191-Y232 PolarHBondContact O-OH 2.99Å; T191-Y232 VanDerWaalsContact O-OH 3.12Å
192N65.5Low63.9Low78 Ų7894.6 Ų94.642%0.41750%0.497SS..  trans-97.5106.7-169.1-64.3-13.3000111.3N190 Q194 E195 Y232N190-N192 PolarHBondContact OD1-N 3.37Å; N192-Q194 PolarHBondContact O-N 3.06Å; N192-E195 HydrophobicContact CB-CB 4.22Å; N192-E195 HydrophobicContact CB-CG 4.31Å; N192-E195 WeakPolarHBondContact CB-OE2 3.36Å; N192-E195 PolarHBondContact ND2-OE2 2.86Å; N192-E195 PolarHBondContact O-N 3.03Å; N192-Y232 VanDerWaalsContact C-OH 3.28Å; N192-Y232 PolarHBondContact N-OH 3.05Å; N192-Y232 VanDerWaalsContact N-OH 3.16Å
193E59.5Low61.3Low121 Ų12195.7 Ų95.757%0.56551%0.508SS*.THydrogen-bonded Turntrans-57.7-22.4177.3-74.1164.3-150.400113.4Y232 R236E193-Y232 HydrophobicContact CB-CE1 4.28Å; E193-Y232 HydrophobicContact CG-CD1 3.96Å; E193-Y232 HydrophobicContact CG-CE1 3.33Å; E193-Y232 PolarHBondContact N-OH 3.42Å; E193-R236 IonicContact OE1-CZ 3.38Å; E193-R236 VanDerWaalsContact OE1-CZ 3.3Å; E193-R236 IonicContact OE1-NH1 3.25Å; E193-R236 PolarHBondContact OE1-NH1 3.44Å; E193-R236 IonicContact OE1-NH2 2.7Å; E193-R236 PolarHBondContact OE1-NH2 3.14Å
194Q52.3Low59.2Low191 Ų191100 Ų10089%0.89353%0.525SS*.THydrogen-bonded Turntrans-83.1-19.3179.1-65.8-179.1-16.200113.8N192N192-Q194 PolarHBondContact O-N 3.06Å
195E56.5Low57.2Low121 Ų121101 Ų10157%0.56554%0.536SS*.SBendtrans-103.210.6177.8-65.1175.7137.200111.7N190 N192 T197N190-E195 PolarHBondContact ND2-O 3.4Å; N192-E195 HydrophobicContact CB-CB 4.22Å; N192-E195 HydrophobicContact CB-CG 4.31Å; N192-E195 WeakPolarHBondContact CB-OE2 3.36Å; N192-E195 PolarHBondContact ND2-OE2 2.86Å; N192-E195 PolarHBondContact O-N 3.03Å; E195-T197 PolarHBondContact O-N 3.4Å
196S54.8Low55.5Low15 Ų15108.9 Ų108.911%0.10556%0.559CS.*  trans-61120.6178.4176.70000111.2L198 Y232S196-L198 VanDerWaalsContact C-N 3.34Å; S196-L198 PolarHBondContact OG-N 2.95Å; S196-L198 PolarHBondContact OG-O 2.95Å; S196-Y232 WeakPolarHBondContact OG-CD2 3.46Å
197T61Low53.3Low60 Ų60115.2 Ų115.237%0.36859%0.585SS.*  trans-80.9-17.1171.365.40000112.4E195 E305E195-T197 PolarHBondContact O-N 3.4Å; T197-E305 WeakPolarHBondContact CA-OE2 3.37Å; T197-E305 WeakPolarHBondContact CB-OE2 3.41Å; T197-E305 PolarHBondContact N-OE2 2.96Å; T197-E305 PolarHBondContact OG1-OE2 3.23Å
198L57.5Low51.1Low36 Ų36123.6 Ų123.619%0.18862%0.622CS.*THydrogen-bonded Turntrans-75.6121.9170.2-72.2162.1000110.2S196 I230 E305S196-L198 VanDerWaalsContact C-N 3.34Å; S196-L198 PolarHBondContact OG-N 2.95Å; S196-L198 PolarHBondContact OG-O 2.95Å; L198-I230 HydrophobicContact CD1-CG2 4.16Å; L198-I230 HydrophobicContact CD2-CB 4.46Å; L198-E305 HydrophobicContact CD1-CB 3.83Å; L198-E305 HydrophobicContact CD1-CG 4.29Å; L198-E305 HydrophobicContact CG-CB 3.96Å; L198-E305 PolarHBondContact N-OE2 3.05Å
199G50.1Low48.7Very low80 Ų80121.9 Ų121.983%0.82563%0.628SS**THydrogen-bonded Turntrans97.9-6.1171.800000116.5K201G199-K201 PolarHBondContact O-N 3.44Å; G199-K201 VanDerWaalsContact O-N 3.08Å
200Q44.8Very low46.2Very low148 Ų148129.2 Ų129.269%0.69267%0.665SS**  trans-70.9102.9172.3-71.1-174.4-8.900110.6
201K35.8Very low44Very low190 Ų190135.3 Ų135.383%0.82670%0.697SS**  trans-64.3139.7156.6-76.1-176.4175.5-179.60108.1G199 T203G199-K201 PolarHBondContact O-N 3.44Å; G199-K201 VanDerWaalsContact O-N 3.08Å; K201-T203 PolarHBondContact O-N 3.41Å
202H35.3Very low42.3Very low187 Ų187138.1 Ų138.187%0.86671%0.714SS**  trans-47107.6168.9-98.8-96.6000110.9
203T26.3Very low40.6Very low129 Ų129143.7 Ų143.779%0.79174%0.738SS**  trans-109114.5145.242.80000105.6K201 D205K201-T203 PolarHBondContact O-N 3.41Å; T203-D205 PolarHBondContact O-N 2.96Å
204E38.4Very low39.3Very low175 Ų175147 Ų14782%0.81875%0.753SS**  trans-59.9122.5175.3-56.5171.1136.500108.9
205D31.1Very low38.3Very low167 Ų167141.5 Ų141.589%0.89375%0.748SS**  trans-145.5119.2147.6-93.5-41.1000107.5T203T203-D205 PolarHBondContact O-N 2.96Å
206R40Very low37Very low243 Ų243145.2 Ų145.292%0.91777%0.765SS**  trans-81.3129.7173.1-73.2169.2161.8171.2-7.1107.9
207E29.3Very low35.9Very low196 Ų196153.4 Ų153.492%0.91680%0.804SS**  trans-154.2126.7140.6-116.7163.7-158.200113
208E34Very low34.4Very low198 Ų198154.4 Ų154.493%0.92583%0.826SS**  trans-14.9131.3178.9-56.3-178.3157.400120.8
209G27.3Very low33.2Very low78 Ų78160.7 Ų160.780%0.80486%0.86SS**  trans-166.444.9178.800000117.7
210M28Very low32.4Very low190 Ų190165.6 Ų165.694%0.93686%0.861SS**  trans53.4114.1161.3-139.3168.3-164.800119.3
211D28.3Very low31.7Very low163 Ų163167.8 Ų167.887%0.87287%0.871SS**  trans-60.6138.4-177.3-54.2-76.3000115.2
212V32.3Very low31.6Very low135 Ų135163.3 Ų163.382%0.81887%0.87SS**  trans-125.9122.8152.1-177.30000106.2E214V212-E214 PolarHBondContact O-N 3.49Å
213E31.3Very low31.5Very low194 Ų194160 Ų16091%0.90787%0.865SS**  trans-59.8102.4-172.8-66.7174.2125.400112.4
214E31.8Very low31.8Very low192 Ų192160.1 Ų160.190%0.89787%0.866SS**PPolyproline II helixtrans-75.9118.5156.4-73.9-167.4143.200108.4V212 E216V212-E214 PolarHBondContact O-N 3.49Å; E214-E216 PolarHBondContact O-N 2.95Å
215G30.1Very low31.5Very low75 Ų75158.2 Ų158.277%0.77387%0.866SS**PPolyproline II helixtrans-69.2125.1-179.600000112.3M217G215-M217 PolarHBondContact O-N 3.34Å
216E30.8Very low31.9Very low198 Ų198153.7 Ų153.793%0.92585%0.847SS**PPolyproline II helixtrans-53.7127174.4-67.7178.9121.200112.2E214E214-E216 PolarHBondContact O-N 2.95Å
217M30Very low31.8Very low188 Ų188147.9 Ų147.993%0.92684%0.844SS**  trans-127.6129150.8-84.1-106.6-79.700107.2G215G215-M217 PolarHBondContact O-N 3.34Å
218G30.1Very low32.6Very low80 Ų80143 Ų14383%0.82582%0.823SS**  trans-63.3157-157.100000117.2
219D32.3Very low33.6Very low168 Ų168139.3 Ų139.390%0.89882%0.816SS**  trans-60.2174.6173.7-103.6-41.6000114.8
220E33.3Very low35.2Very low184 Ų184136.5 Ų136.586%0.8678%0.782SS**  trans82.773169.9-53.7-164.416600118
221E30.4Very low37.2Very low194 Ų194131.8 Ų131.891%0.90776%0.761SS**  -165.9130.1113.3-106.7179.1-171.500110.2
222A33.6Very low39.5Very low96 Ų96125.1 Ų125.179%0.79372%0.724SS**PPolyproline II helixtrans-66.4125.2-173.400000111.6T224A222-T224 PolarHBondContact O-N 3.14Å
223P33.8Very low41.9Very low118 Ų118122 Ų12277%0.76670%0.702SS**PPolyproline II helixtrans-65.9124.8175.826.5-32.1000109.3T225P223-T225 PolarHBondContact O-N 3.1Å; P223-T225 VanDerWaalsContact O-N 3.1Å
224T31.7Very low44.4Very low131 Ų131114.2 Ų114.280%0.80467%0.667SS**PPolyproline II helixtrans-48.8117.3175.843.60000110.6A222 C226A222-T224 PolarHBondContact O-N 3.14Å; T224-C226 PolarHBondContact O-N 3.31Å
225T33.2Very low47Very low134 Ų134105.2 Ų105.282%0.82263%0.625SS**  trans-59.6108-176.751.80000111.1P223 S227P223-T225 PolarHBondContact O-N 3.1Å; P223-T225 VanDerWaalsContact O-N 3.1Å; T225-S227 PolarHBondContact O-N 3.36Å
226C37.9Very low49.7Very low72 Ų72106.2 Ų106.249%0.48661%0.605SS.*  trans-58.8132.8169.2-740000109.7T224 I228T224-C226 PolarHBondContact O-N 3.31Å; C226-I228 VanDerWaalsContact C-N 3.3Å; C226-I228 PolarHBondContact O-N 3.21Å; C226-I228 VanDerWaalsContact O-N 3.11Å
227S38.6Very low52.4Low122 Ų12298 Ų9885%0.85357%0.566SS**SBendtrans-89.432-158.148.80000115.4T225T225-S227 PolarHBondContact O-N 3.36Å
228I45.8Very low55.3Low94 Ų9489.4 Ų89.448%0.48252%0.524SS..SBendtrans-139.6122.6168-54.2178.4000107.6C226 I230C226-I228 VanDerWaalsContact C-N 3.3Å; C226-I228 PolarHBondContact O-N 3.21Å; C226-I228 VanDerWaalsContact O-N 3.11Å; I228-I230 PolarHBondContact O-N 2.72Å
229P55.1Low58.1Low120 Ų12085.6 Ų85.678%0.77949%0.485SS*.  trans-66.8118.9170.128.3-32.1000108.7D231P229-D231 PolarHBondContact O-N 3.18Å
230I61.8Low60.8Low18 Ų1878.8 Ų78.89%0.09245%0.45CS..  trans-65.4109.3173.2-66.5-169.3000108.7L198 I228 M308 D309 L312L198-I230 HydrophobicContact CD1-CG2 4.16Å; L198-I230 HydrophobicContact CD2-CB 4.46Å; I228-I230 PolarHBondContact O-N 2.72Å; I230-M308 HydrophobicContact CD1-CB 3.81Å; I230-M308 HydrophobicContact CD1-CG 3.73Å; I230-M308 HydrophobicContact CG2-CB 4.28Å; I230-M308 HydrophobicContact CG2-CG 4.06Å; I230-D309 HydrophobicContact CD1-CB 4.03Å; I230-D309 VanDerWaalsContact CD1-N 3.33Å; I230-D309 VanDerWaalsContact CD1-OD1 3.26Å; I230-D309 WeakPolarHBondContact CD1-OD1 3.36Å; I230-D309 WeakPolarHBondContact CD1-OD2 3.44Å; I230-D309 WeakPolarHBondContact CG1-OD1 3.43Å; I230-L312 HydrophobicContact CD1-CD1 3.79Å
231D69.6Low63.6Low92 Ų9270.1 Ų70.149%0.49241%0.41SS..  trans-68.8133.4172.7-174.7-5.5000109.3P229 N233 L234 Y235P229-D231 PolarHBondContact O-N 3.18Å; D231-N233 HydrophobicContact CB-CB 4.35Å; D231-N233 PolarHBondContact O-N 3.39Å; D231-N233 VanDerWaalsContact O-N 3.1Å; D231-N233 VanDerWaalsContact OD1-CB 3.28Å; D231-N233 WeakPolarHBondContact OD1-CB 3.22Å; D231-N233 PolarHBondContact OD1-N 3.21Å; D231-N233 WeakPolarHBondContact OD2-CB 3.48Å; D231-L234 WeakPolarHBondContact O-CA 3.39Å; D231-L234 WeakPolarHBondContact O-CB 3.24Å; D231-L234 PolarHBondContact O-N 2.91Å; D231-Y235 PolarHBondContact O-N 3.34Å
232Y76.8Confident66.5Low23 Ų2361.5 Ų61.59%0.0937%0.369CS..Hα-helixtrans-50.6-31.8168.8175.2-90000111.7T191 N192 E193 S196 L234 Y235 R236T191-Y232 PolarHBondContact O-OH 2.99Å; T191-Y232 VanDerWaalsContact O-OH 3.12Å; N192-Y232 VanDerWaalsContact C-OH 3.28Å; N192-Y232 PolarHBondContact N-OH 3.05Å; N192-Y232 VanDerWaalsContact N-OH 3.16Å; E193-Y232 HydrophobicContact CB-CE1 4.28Å; E193-Y232 HydrophobicContact CG-CD1 3.96Å; E193-Y232 HydrophobicContact CG-CE1 3.33Å; E193-Y232 PolarHBondContact N-OH 3.42Å; S196-Y232 WeakPolarHBondContact OG-CD2 3.46Å; Y232-L234 VanDerWaalsContact C-N 3.35Å; Y232-L234 PolarHBondContact O-N 3.17Å; Y232-Y235 HydrophobicContact CE2-CD1 4.5Å; Y232-Y235 PolarHBondContact O-N 2.94Å; Y232-R236 HydrophobicContact CE1-CB 4.48Å; Y232-R236 WeakPolarHBondContact O-CB 3.43Å; Y232-R236 PolarHBondContact O-N 3.33Å
233N83.1Confident69Low68 Ų6859 Ų5936%0.36434%0.342SS..Hα-helixtrans-61.9-37.5173.7-157.25.7000112.9D231 K237D231-N233 HydrophobicContact CB-CB 4.35Å; D231-N233 PolarHBondContact O-N 3.39Å; D231-N233 VanDerWaalsContact O-N 3.1Å; D231-N233 VanDerWaalsContact OD1-CB 3.28Å; D231-N233 WeakPolarHBondContact OD1-CB 3.22Å; D231-N233 PolarHBondContact OD1-N 3.21Å; D231-N233 WeakPolarHBondContact OD2-CB 3.48Å; N233-K237 WeakPolarHBondContact O-CB 3.33Å; N233-K237 VanDerWaalsContact O-CG 3.22Å; N233-K237 WeakPolarHBondContact O-CG 3.36Å; N233-K237 PolarHBondContact O-N 3.17Å; N233-K237 WeakPolarHBondContact OD1-CE 3.47Å
234L83.3Confident71.7Confident32 Ų3254.9 Ų54.917%0.16831%0.312CS..Hα-helixtrans-68.6-46.1174.9177.763.3000110.5D231 Y232 R236 K237 F238 V267 V270D231-L234 WeakPolarHBondContact O-CA 3.39Å; D231-L234 WeakPolarHBondContact O-CB 3.24Å; D231-L234 PolarHBondContact O-N 2.91Å; Y232-L234 VanDerWaalsContact C-N 3.35Å; Y232-L234 PolarHBondContact O-N 3.17Å; L234-R236 PolarHBondContact O-N 3.27Å; L234-K237 PolarHBondContact O-N 3.23Å; L234-F238 WeakPolarHBondContact O-CB 3.4Å; L234-F238 PolarHBondContact O-N 3.12Å; L234-V267 HydrophobicContact CD1-CG2 4.34Å; L234-V270 HydrophobicContact CD1-CG2 4.06Å; L234-V270 HydrophobicContact CD2-CG1 4.31Å; L234-V270 HydrophobicContact CD2-CG2 4.27Å
235Y86Confident74.5Confident3 Ų350.2 Ų50.21%0.01228%0.28CS..Hα-helixtrans-55.5-48.9175168.8-86000111.3F189 N190 D231 Y232 F238 W239 T303 E305F189-Y235 HydrophobicContact CB-CE1 4.44Å; F189-Y235 HydrophobicContact CD2-CE1 4.31Å; N190-Y235 HydrophobicContact CB-CE1 4.2Å; N190-Y235 PolarHBondContact N-OH 2.69Å; D231-Y235 PolarHBondContact O-N 3.34Å; Y232-Y235 HydrophobicContact CE2-CD1 4.5Å; Y232-Y235 PolarHBondContact O-N 2.94Å; Y235-F238 PolarHBondContact O-N 3.2Å; Y235-W239 AromaticContact CD1-CD1 3.99Å; Y235-W239 AromaticContact CD2-CD1 3.5Å; Y235-W239 VanDerWaalsContact CD2-CD1 3.5Å; Y235-W239 AromaticContact CD2-NE1 3.3Å; Y235-W239 VanDerWaalsContact CD2-NE1 3.3Å; Y235-W239 AromaticContact CE1-CD1 3.82Å; Y235-W239 AromaticContact CE2-CD1 3.34Å; Y235-W239 AromaticContact CE2-NE1 3.08Å; Y235-W239 AromaticContact CG-CD1 3.82Å; Y235-W239 AromaticContact CZ-CD1 3.5Å; Y235-W239 AromaticContact CZ-NE1 3.69Å; Y235-W239 PolarHBondContact O-N 2.97Å; Y235-T303 WeakPolarHBondContact CE2-O 3.49Å; Y235-T303 PolarHBondContact OH-O 2.94Å; Y235-E305 HydrophobicContact CD1-CG 4.15Å; Y235-E305 HydrophobicContact CD2-CB 4.34Å; Y235-E305 HydrophobicContact CD2-CG 3.95Å; Y235-E305 HydrophobicContact CE1-CG 3.86Å; Y235-E305 HydrophobicContact CE2-CB 4.17Å; Y235-E305 HydrophobicContact CE2-CG 3.6Å; Y235-E305 HydrophobicContact CG-CG 4.21Å
236R86.1Confident77.2Confident96 Ų9647.2 Ų47.236%0.36225%0.254SS..Hα-helixtrans-62-46.3179-165.8-162-151.915718.6112.3E193 Y232 L234 S240E193-R236 IonicContact OE1-CZ 3.38Å; E193-R236 VanDerWaalsContact OE1-CZ 3.3Å; E193-R236 IonicContact OE1-NH1 3.25Å; E193-R236 PolarHBondContact OE1-NH1 3.44Å; E193-R236 IonicContact OE1-NH2 2.7Å; E193-R236 PolarHBondContact OE1-NH2 3.14Å; Y232-R236 HydrophobicContact CE1-CB 4.48Å; Y232-R236 WeakPolarHBondContact O-CB 3.43Å; Y232-R236 PolarHBondContact O-N 3.33Å; L234-R236 PolarHBondContact O-N 3.27Å; R236-S240 VanDerWaalsContact O-CB 3.29Å; R236-S240 WeakPolarHBondContact O-CB 3.41Å; R236-S240 PolarHBondContact O-N 3.49Å; R236-S240 PolarHBondContact O-OG 3.48Å
237K88.8Confident79.6Confident24 Ų2445.4 Ų45.410%0.10424%0.239CC..Hα-helixtrans-61.9-46.3177.3-73.1176.4-164.6178.30111N233 L234 S240 L241 Y263 E266N233-K237 WeakPolarHBondContact O-CB 3.33Å; N233-K237 VanDerWaalsContact O-CG 3.22Å; N233-K237 WeakPolarHBondContact O-CG 3.36Å; N233-K237 PolarHBondContact O-N 3.17Å; N233-K237 WeakPolarHBondContact OD1-CE 3.47Å; L234-K237 PolarHBondContact O-N 3.23Å; K237-S240 PolarHBondContact O-N 2.99Å; K237-S240 PolarHBondContact O-OG 3.34Å; K237-L241 PolarHBondContact O-N 3.29Å; K237-L241 VanDerWaalsContact O-N 3.15Å; K237-Y263 HydrophobicContact CB-CD1 4.25Å; K237-Y263 HydrophobicContact CB-CD2 4.48Å; K237-Y263 HydrophobicContact CB-CG 4.14Å; K237-Y263 HydrophobicContact CD-CD1 3.81Å; K237-Y263 HydrophobicContact CD-CE1 4.04Å; K237-Y263 HydrophobicContact CG-CD1 3.7Å; K237-Y263 HydrophobicContact CG-CD2 4.45Å; K237-Y263 HydrophobicContact CG-CE1 3.78Å; K237-Y263 HydrophobicContact CG-CG 4.07Å; K237-E266 VanDerWaalsContact CD-OE2 3.23Å; K237-E266 WeakPolarHBondContact CD-OE2 3.5Å; K237-E266 WeakPolarHBondContact CE-OE2 3.26Å; K237-E266 IonicContact NZ-OE1 2.78Å; K237-E266 PolarHBondContact NZ-OE1 3.25Å; K237-E266 IonicContact NZ-OE2 2.82Å; K237-E266 PolarHBondContact NZ-OE2 2.82Å
238F89.8Confident82Confident9 Ų939.9 Ų39.94%0.03920%0.201CC..Hα-helixtrans-57.3-53.1178.2-179.3-90.8000112.1L234 Y235 S240 L241 V267 F271 M308 F317 I321L234-F238 WeakPolarHBondContact O-CB 3.4Å; L234-F238 PolarHBondContact O-N 3.12Å; Y235-F238 PolarHBondContact O-N 3.2Å; F238-S240 PolarHBondContact O-N 3.27Å; F238-L241 WeakPolarHBondContact O-CB 3.22Å; F238-L241 PolarHBondContact O-N 2.69Å; F238-V267 HydrophobicContact CB-CG2 4.37Å; F238-V267 HydrophobicContact CD2-CG1 3.91Å; F238-V267 HydrophobicContact CD2-CG2 4.19Å; F238-V267 HydrophobicContact CE2-CG1 4.29Å; F238-F271 HydrophobicContact CE2-CZ 4.18Å; F238-M308 HydrophobicContact CB-CE 4.05Å; F238-M308 HydrophobicContact CD1-CE 3.73Å; F238-M308 HydrophobicContact CD1-SD 4.36Å; F238-M308 HydrophobicContact CD2-CE 3.91Å; F238-M308 HydrophobicContact CE1-CE 4.15Å; F238-M308 HydrophobicContact CE2-CE 4.3Å; F238-M308 HydrophobicContact CG-CE 3.6Å; F238-M308 HydrophobicContact CZ-CE 4.42Å; F238-F317 HydrophobicContact CE1-CE1 4.18Å; F238-F317 AromaticContact CE1-CZ 3.69Å; F238-F317 HydrophobicContact CE1-CZ 3.69Å; F238-F317 HydrophobicContact CE2-CE1 4.29Å; F238-F317 AromaticContact CZ-CE1 3.57Å; F238-F317 HydrophobicContact CZ-CE1 3.57Å; F238-F317 AromaticContact CZ-CZ 3.43Å; F238-F317 HydrophobicContact CZ-CZ 3.43Å; F238-F317 VanDerWaalsContact CZ-CZ 3.43Å; F238-I321 HydrophobicContact CE1-CD1 4.49Å; F238-I321 HydrophobicContact CE2-CD1 4.28Å; F238-I321 HydrophobicContact CE2-CG1 4.13Å; F238-I321 HydrophobicContact CE2-CG2 4.34Å; F238-I321 HydrophobicContact CZ-CD1 3.63Å; F238-I321 HydrophobicContact CZ-CG1 3.79Å
239W89.8Confident84Confident0 Ų037.2 Ų37.20%019%0.189CC..Hα-helixtrans-72.1-27.5-180-65.4113.3000113.5T187 F189 Y235 L241 Q242 F301 T303 F317T187-W239 HydrophobicContact CG2-CE3 3.96Å; T187-W239 HydrophobicContact CG2-CZ3 4.02Å; F189-W239 HydrophobicContact CB-CB 3.83Å; F189-W239 HydrophobicContact CB-CG 3.85Å; F189-W239 HydrophobicContact CD1-CB 3.61Å; F189-W239 HydrophobicContact CD1-CG 4.48Å; F189-W239 HydrophobicContact CD2-CB 3.65Å; F189-W239 HydrophobicContact CD2-CG 4.4Å; F189-W239 HydrophobicContact CE1-CB 4.01Å; F189-W239 HydrophobicContact CE2-CB 4.05Å; F189-W239 HydrophobicContact CG-CB 3.42Å; F189-W239 VanDerWaalsContact CG-CB 3.42Å; F189-W239 HydrophobicContact CG-CG 4.03Å; F189-W239 HydrophobicContact CZ-CB 4.21Å; Y235-W239 AromaticContact CD1-CD1 3.99Å; Y235-W239 AromaticContact CD2-CD1 3.5Å; Y235-W239 VanDerWaalsContact CD2-CD1 3.5Å; Y235-W239 AromaticContact CD2-NE1 3.3Å; Y235-W239 VanDerWaalsContact CD2-NE1 3.3Å; Y235-W239 AromaticContact CE1-CD1 3.82Å; Y235-W239 AromaticContact CE2-CD1 3.34Å; Y235-W239 AromaticContact CE2-NE1 3.08Å; Y235-W239 AromaticContact CG-CD1 3.82Å; Y235-W239 AromaticContact CZ-CD1 3.5Å; Y235-W239 AromaticContact CZ-NE1 3.69Å; Y235-W239 PolarHBondContact O-N 2.97Å; W239-L241 PolarHBondContact O-N 2.96Å; W239-Q242 HydrophobicContact CE3-CB 4.37Å; W239-Q242 WeakPolarHBondContact O-CB 3.39Å; W239-Q242 PolarHBondContact O-N 3.01Å; W239-F301 HydrophobicContact CH2-CB 3.79Å; W239-F301 HydrophobicContact CH2-CG 4.3Å; W239-F301 HydrophobicContact CZ3-CB 3.87Å; W239-F301 HydrophobicContact CZ3-CD2 4.19Å; W239-F301 HydrophobicContact CZ3-CG 4.17Å; W239-T303 HydrophobicContact CD2-CG2 3.98Å; W239-T303 HydrophobicContact CE3-CG2 3.93Å; W239-T303 HydrophobicContact CH2-CG2 4.07Å; W239-T303 HydrophobicContact CZ2-CG2 4.08Å; W239-T303 HydrophobicContact CZ3-CG2 3.99Å; W239-F317 HydrophobicContact CH2-CE2 4.35Å; W239-F317 HydrophobicContact CH2-CZ 4.23Å
240S89.1Confident85.6Confident24 Ų2434.7 Ų34.717%0.16817%0.166CC..Hα-helixtrans-64.9-26.9171.175.40000113.4R236 K237 F238 Q242 D243 Y263R236-S240 VanDerWaalsContact O-CB 3.29Å; R236-S240 WeakPolarHBondContact O-CB 3.41Å; R236-S240 PolarHBondContact O-N 3.49Å; R236-S240 PolarHBondContact O-OG 3.48Å; K237-S240 PolarHBondContact O-N 2.99Å; K237-S240 PolarHBondContact O-OG 3.34Å; F238-S240 PolarHBondContact O-N 3.27Å; S240-Q242 PolarHBondContact O-N 3.39Å; S240-D243 PolarHBondContact O-N 3.26Å; S240-Y263 VanDerWaalsContact OG-CD2 3.25Å; S240-Y263 WeakPolarHBondContact OG-CD2 3.48Å; S240-Y263 WeakPolarHBondContact OG-CE2 3.43Å
241L91.4Very high86.9Confident3 Ų333.8 Ų33.82%0.01616%0.162CC..Hα-helixtrans-66.4-28.6170.8-69.4163.9000112.1K237 F238 W239 D243 Y244 F245 F260 V267 Y325K237-L241 PolarHBondContact O-N 3.29Å; K237-L241 VanDerWaalsContact O-N 3.15Å; F238-L241 WeakPolarHBondContact O-CB 3.22Å; F238-L241 PolarHBondContact O-N 2.69Å; W239-L241 PolarHBondContact O-N 2.96Å; L241-D243 PolarHBondContact O-N 3.26Å; L241-Y244 HydrophobicContact CD2-CD2 4.2Å; L241-Y244 PolarHBondContact O-N 3.39Å; L241-Y244 VanDerWaalsContact O-N 3.09Å; L241-F245 HydrophobicContact CB-CE2 4.21Å; L241-F245 VanDerWaalsContact O-CD2 3.25Å; L241-F245 WeakPolarHBondContact O-CD2 3.38Å; L241-F245 PolarHBondContact O-N 2.87Å; L241-F260 HydrophobicContact CD2-CD2 3.65Å; L241-F260 HydrophobicContact CD2-CE2 3.98Å; L241-V267 HydrophobicContact CD1-CB 4.12Å; L241-V267 HydrophobicContact CD1-CG2 3.75Å; L241-Y325 WeakPolarHBondContact CD1-OH 3.28Å
242Q90.8Very high87.8Confident13 Ų1331.2 Ų31.26%0.06115%0.146CC..Hα-helixtrans-64-29.8178.5-163.361.280.300112.5T187 W239 S240 F245 R246T187-Q242 HydrophobicContact CG2-CG 4.13Å; T187-Q242 VanDerWaalsContact OG1-CG 3.3Å; T187-Q242 WeakPolarHBondContact OG1-CG 3.46Å; W239-Q242 HydrophobicContact CE3-CB 4.37Å; W239-Q242 WeakPolarHBondContact O-CB 3.39Å; W239-Q242 PolarHBondContact O-N 3.01Å; S240-Q242 PolarHBondContact O-N 3.39Å; Q242-F245 PolarHBondContact O-N 3.11Å; Q242-R246 WeakPolarHBondContact O-CB 3.47Å; Q242-R246 PolarHBondContact O-N 2.84Å
243D87.1Confident88.4Confident42 Ų4236.2 Ų36.223%0.22517%0.17CC..Hα-helixtrans-70.6-34.2173.1-79.4-42.3000112.8S240 L241 R246 N247S240-D243 PolarHBondContact O-N 3.26Å; L241-D243 PolarHBondContact O-N 3.26Å; D243-R246 PolarHBondContact O-N 3.05Å; D243-R246 IonicContact OD1-CZ 3.51Å; D243-R246 IonicContact OD1-NH1 2.89Å; D243-R246 PolarHBondContact OD1-NH1 3.17Å; D243-N247 PolarHBondContact O-N 3.25Å
244Y90.4Very high88.6Confident32 Ų3241.6 Ų41.613%0.12519%0.19CC..Hα-helixtrans-69-38.6172.3-61.6-52.1000112.1L241 R246 N247 Q250 T259 F260L241-Y244 HydrophobicContact CD2-CD2 4.2Å; L241-Y244 PolarHBondContact O-N 3.39Å; L241-Y244 VanDerWaalsContact O-N 3.09Å; Y244-R246 VanDerWaalsContact C-N 3.31Å; Y244-R246 PolarHBondContact O-N 3.1Å; Y244-N247 CarbonylContact O-C 3.55Å; Y244-N247 PolarHBondContact O-N 3.09Å; Y244-Q250 HydrophobicContact CD1-CB 4.1Å; Y244-Q250 HydrophobicContact CE1-CB 4.4Å; Y244-T259 PolarHBondContact OH-OG1 2.69Å; Y244-F260 HydrophobicContact CD2-CB 4.04Å; Y244-F260 AromaticContact CD2-CD2 3.75Å; Y244-F260 HydrophobicContact CD2-CD2 3.75Å; Y244-F260 HydrophobicContact CD2-CG 4.38Å; Y244-F260 HydrophobicContact CE2-CB 4.12Å; Y244-F260 HydrophobicContact CG-CB 4.49Å; Y244-F260 HydrophobicContact CG-CD2 4.05Å
245F91.1Very high89Confident33 Ų3346.7 Ų46.715%0.14522%0.216CC..Hα-helixtrans-64.7-35171.2-65.4-52.2000112.5L241 Q242 Q324 Y325 L328L241-F245 HydrophobicContact CB-CE2 4.21Å; L241-F245 VanDerWaalsContact O-CD2 3.25Å; L241-F245 WeakPolarHBondContact O-CD2 3.38Å; L241-F245 PolarHBondContact O-N 2.87Å; Q242-F245 PolarHBondContact O-N 3.11Å; F245-Q324 HydrophobicContact CD1-CB 4.02Å; F245-Q324 HydrophobicContact CD2-CB 4.31Å; F245-Q324 VanDerWaalsContact CD2-OE1 3.29Å; F245-Q324 HydrophobicContact CE1-CB 4.13Å; F245-Q324 HydrophobicContact CE2-CB 4.41Å; F245-Q324 HydrophobicContact CG-CB 4.14Å; F245-Q324 HydrophobicContact CZ-CB 4.32Å; F245-Y325 AromaticContact CE1-CD1 3.91Å; F245-Y325 HydrophobicContact CE1-CD1 3.91Å; F245-Y325 HydrophobicContact CE1-CE1 4.17Å; F245-Y325 HydrophobicContact CE1-CG 4.12Å; F245-Y325 AromaticContact CZ-CD1 3.74Å; F245-Y325 HydrophobicContact CZ-CD1 3.74Å; F245-Y325 AromaticContact CZ-CD2 3.89Å; F245-Y325 HydrophobicContact CZ-CD2 3.89Å; F245-Y325 AromaticContact CZ-CE1 3.67Å; F245-Y325 HydrophobicContact CZ-CE1 3.67Å; F245-Y325 AromaticContact CZ-CE2 3.84Å; F245-Y325 HydrophobicContact CZ-CE2 3.84Å; F245-Y325 AromaticContact CZ-CG 3.84Å; F245-Y325 HydrophobicContact CZ-CG 3.84Å; F245-Y325 AromaticContact CZ-CZ 3.72Å; F245-L328 HydrophobicContact CD1-CB 4.05Å; F245-L328 HydrophobicContact CD1-CD2 3.69Å; F245-L328 HydrophobicContact CD1-CG 4.41Å; F245-L328 HydrophobicContact CE1-CB 4.17Å; F245-L328 HydrophobicContact CE1-CD2 3.65Å
246R88.6Confident89.3Confident72 Ų7247.2 Ų47.227%0.27222%0.22SC..Hα-helixtrans-72.4-29.4176.7170-176163.7-124.6-8.8113.1L183 N185 Q242 D243 Y244L183-R246 PolarHBondContact O-NH2 2.87Å; N185-R246 WeakPolarHBondContact O-CD 3.32Å; Q242-R246 WeakPolarHBondContact O-CB 3.47Å; Q242-R246 PolarHBondContact O-N 2.84Å; D243-R246 PolarHBondContact O-N 3.05Å; D243-R246 IonicContact OD1-CZ 3.51Å; D243-R246 IonicContact OD1-NH1 2.89Å; D243-R246 PolarHBondContact OD1-NH1 3.17Å; Y244-R246 VanDerWaalsContact C-N 3.31Å; Y244-R246 PolarHBondContact O-N 3.1Å
247N88.8Confident89.6Confident33 Ų3343.2 Ų43.218%0.17621%0.205CC..  trans-137.182.9177.8-172.45000112.1L183 D243 Y244 V249 Q250L183-N247 HydrophobicContact CD2-CB 3.92Å; D243-N247 PolarHBondContact O-N 3.25Å; Y244-N247 CarbonylContact O-C 3.55Å; Y244-N247 PolarHBondContact O-N 3.09Å; N247-V249 PolarHBondContact O-N 2.97Å; N247-V249 WeakPolarHBondContact OD1-CB 3.46Å; N247-V249 PolarHBondContact OD1-N 3.2Å; N247-Q250 HydrophobicContact CB-CG 4.36Å; N247-Q250 PolarHBondContact ND2-NE2 3.37Å; N247-Q250 PolarHBondContact O-N 3.33Å; N247-Q250 VanDerWaalsContact O-N 3.12Å
248P89.5Confident89.8Confident6 Ų649.2 Ų49.24%0.03923%0.231CC..G310 helixtrans-67.7-11.4-175.730.2-37.9000113.3F181 Q250 C251 L328 Y331F181-P248 HydrophobicContact CD1-CG 4.06Å; F181-P248 HydrophobicContact CD2-CG 4.43Å; F181-P248 HydrophobicContact CE1-CG 3.52Å; F181-P248 HydrophobicContact CE2-CG 3.93Å; F181-P248 HydrophobicContact CZ-CG 3.46Å; F181-P248 VanDerWaalsContact CZ-CG 3.46Å; P248-Q250 PolarHBondContact O-N 3.48Å; P248-C251 WeakPolarHBondContact O-CB 3.45Å; P248-C251 PolarHBondContact O-N 2.87Å; P248-L328 HydrophobicContact CB-CD1 3.57Å; P248-Y331 HydrophobicContact CB-CD1 3.75Å; P248-Y331 HydrophobicContact CB-CE1 3.68Å; P248-Y331 HydrophobicContact CG-CD1 3.97Å; P248-Y331 HydrophobicContact CG-CE1 3.68Å
249V87.7Confident90Very high38 Ų3850.8 Ų50.823%0.2324%0.241CC..G310 helixtrans-63.9-31.2174-178.20000111.4F181 N247 C251 Y252 Y343F181-V249 HydrophobicContact CD2-CG2 4.31Å; F181-V249 HydrophobicContact CE2-CG2 4.03Å; N247-V249 PolarHBondContact O-N 2.97Å; N247-V249 WeakPolarHBondContact OD1-CB 3.46Å; N247-V249 PolarHBondContact OD1-N 3.2Å; V249-C251 PolarHBondContact O-N 3.41Å; V249-Y252 PolarHBondContact O-N 3.19Å; V249-Y343 HydrophobicContact CG1-CE1 4.03Å; V249-Y343 HydrophobicContact CG1-CE2 4.23Å; V249-Y343 VanDerWaalsContact CG1-OH 3.23Å; V249-Y343 WeakPolarHBondContact CG1-OH 3.4Å
250Q88.1Confident90.2Very high67 Ų6750.8 Ų50.831%0.31324%0.241SC..G310 helixtrans-63.5-23.1177.2-68.3178.4-4.500112.6Y244 N247 P248 Y252 E253 S256Y244-Q250 HydrophobicContact CD1-CB 4.1Å; Y244-Q250 HydrophobicContact CE1-CB 4.4Å; N247-Q250 HydrophobicContact CB-CG 4.36Å; N247-Q250 PolarHBondContact ND2-NE2 3.37Å; N247-Q250 PolarHBondContact O-N 3.33Å; N247-Q250 VanDerWaalsContact O-N 3.12Å; P248-Q250 PolarHBondContact O-N 3.48Å; Q250-Y252 PolarHBondContact O-N 2.88Å; Q250-E253 PolarHBondContact O-N 2.94Å; Q250-S256 WeakPolarHBondContact O-CB 3.42Å; Q250-S256 PolarHBondContact O-OG 3.11Å
251C89.7Confident90.4Very high0 Ų051.5 Ų51.50%024%0.243CC..G310 helixtrans-67.8-11.9179.1-64.90000113.6P248 V249 W257 L332P248-C251 WeakPolarHBondContact O-CB 3.45Å; P248-C251 PolarHBondContact O-N 2.87Å; V249-C251 PolarHBondContact O-N 3.41Å; C251-W257 HydrophobicContact CB-CE3 3.93Å; C251-W257 HydrophobicContact CB-CZ3 4.06Å; C251-W257 VanDerWaalsContact O-CE3 3.24Å; C251-L332 HydrophobicContact CB-CD1 4.33Å; C251-L332 HydrophobicContact CB-CD2 4.01Å
252Y87.3Confident90.5Very high38 Ų3857.1 Ų57.115%0.14927%0.267CS..G310 helixtrans-86.6-9.3177-65.8-75.9000114V249 Q250 L332 K339 Y343 L345V249-Y252 PolarHBondContact O-N 3.19Å; Q250-Y252 PolarHBondContact O-N 2.88Å; Y252-L332 HydrophobicContact CE1-CD2 4.45Å; Y252-L332 HydrophobicContact CE2-CD2 3.99Å; Y252-K339 PolarHBondContact OH-NZ 2.58Å; Y252-Y343 HydrophobicContact CD1-CD1 4.37Å; Y252-Y343 HydrophobicContact CD1-CG 4.45Å; Y252-Y343 AromaticContact CD2-CD1 3.78Å; Y252-Y343 HydrophobicContact CD2-CD1 3.78Å; Y252-Y343 HydrophobicContact CD2-CE1 4.39Å; Y252-Y343 AromaticContact CD2-CG 3.87Å; Y252-Y343 HydrophobicContact CD2-CG 3.87Å; Y252-Y343 VanDerWaalsContact CE1-C 3.48Å; Y252-Y343 VanDerWaalsContact CE1-O 3.31Å; Y252-Y343 WeakPolarHBondContact CE1-O 3.43Å; Y252-Y343 HydrophobicContact CE2-CD1 4.38Å; Y252-Y343 HydrophobicContact CE2-CD2 4.43Å; Y252-Y343 AromaticContact CE2-CG 4Å; Y252-Y343 HydrophobicContact CE2-CG 4Å; Y252-Y343 AromaticContact CG-CD1 3.78Å; Y252-Y343 HydrophobicContact CG-CD1 3.78Å; Y252-Y343 HydrophobicContact CG-CG 4.12Å; Y252-L345 HydrophobicContact CD1-CD2 4.11Å; Y252-L345 HydrophobicContact CE1-CD2 3.79Å; Y252-L345 HydrophobicContact CE1-CG 4.17Å
253E90.1Very high90.6Very high127 Ų12759.5 Ų59.559%0.59328%0.276SS*.SBendtrans-89.7145.1175.8-38.6178.8170.600111.9Q250 I255 S256 W257Q250-E253 PolarHBondContact O-N 2.94Å; E253-I255 VanDerWaalsContact C-N 3.33Å; E253-I255 PolarHBondContact O-N 3.36Å; E253-S256 WeakPolarHBondContact CB-OG 3.48Å; E253-S256 PolarHBondContact O-OG 3.2Å; E253-W257 WeakPolarHBondContact O-CB 3.23Å; E253-W257 PolarHBondContact O-N 2.94Å
254K88.1Confident91Very high182 Ų18257.5 Ų57.579%0.79127%0.265SS*.Hα-helixtrans-68.1-26.8-171.5-65.2-173.7178.6-1760114.8K258K254-K258 WeakPolarHBondContact O-CG 3.18Å
255I91.5Very high91.1Very high139 Ų13960.7 Ų60.771%0.71328%0.281SS*.Hα-helixtrans-84.8-51.8-176.3-59.7175.6000109.8E253 W257 K258 T259E253-I255 VanDerWaalsContact C-N 3.33Å; E253-I255 PolarHBondContact O-N 3.36Å; I255-W257 VanDerWaalsContact C-N 3.31Å; I255-W257 PolarHBondContact O-N 2.97Å; I255-K258 PolarHBondContact O-N 2.89Å; I255-K258 VanDerWaalsContact O-N 3.14Å; I255-T259 PolarHBondContact O-N 2.83Å; I255-T259 VanDerWaalsContact O-N 3.09Å; I255-T259 PolarHBondContact O-OG1 3Å
256S91.8Very high91.1Very high13 Ų1362 Ų629%0.09129%0.288CS..Hα-helixtrans-59.7-37.6174.249.80000112.7Q250 E253 K258 T259 F260Q250-S256 WeakPolarHBondContact O-CB 3.42Å; Q250-S256 PolarHBondContact O-OG 3.11Å; E253-S256 WeakPolarHBondContact CB-OG 3.48Å; E253-S256 PolarHBondContact O-OG 3.2Å; S256-K258 PolarHBondContact O-N 3.48Å; S256-T259 WeakPolarHBondContact CA-OG1 3.35Å; S256-T259 PolarHBondContact O-N 3.32Å; S256-T259 PolarHBondContact O-OG1 2.99Å; S256-F260 VanDerWaalsContact O-CB 3.27Å; S256-F260 WeakPolarHBondContact O-CB 3.39Å; S256-F260 PolarHBondContact O-N 3.1Å
257W93Very high91.2Very high13 Ų1358.8 Ų58.85%0.04928%0.276CS..Hα-helixtrans-61.6-43.9173.5-176.7-102.1000111.4C251 E253 I255 T259 F260 L261 L332 Q349 W352 I353C251-W257 HydrophobicContact CB-CE3 3.93Å; C251-W257 HydrophobicContact CB-CZ3 4.06Å; C251-W257 VanDerWaalsContact O-CE3 3.24Å; E253-W257 WeakPolarHBondContact O-CB 3.23Å; E253-W257 PolarHBondContact O-N 2.94Å; I255-W257 VanDerWaalsContact C-N 3.31Å; I255-W257 PolarHBondContact O-N 2.97Å; W257-T259 PolarHBondContact O-N 3.33Å; W257-F260 HydrophobicContact CE3-CD1 4.02Å; W257-F260 HydrophobicContact CH2-CD1 4.32Å; W257-F260 HydrophobicContact CH2-CE1 4.27Å; W257-F260 AromaticContact CZ3-CD1 3.83Å; W257-F260 HydrophobicContact CZ3-CD1 3.83Å; W257-F260 HydrophobicContact CZ3-CE1 4Å; W257-F260 PolarHBondContact O-N 3.05Å; W257-L261 HydrophobicContact CG-CG 4.48Å; W257-L261 HydrophobicContact CZ2-CD2 3.82Å; W257-L261 HydrophobicContact CZ2-CG 4.48Å; W257-L261 VanDerWaalsContact O-CG 3.3Å; W257-L261 WeakPolarHBondContact O-CG 3.42Å; W257-L261 PolarHBondContact O-N 3.49Å; W257-L332 HydrophobicContact CH2-CD1 4.48Å; W257-L332 HydrophobicContact CZ3-CD1 4.07Å; W257-Q349 VanDerWaalsContact CE2-NE2 3.35Å; W257-Q349 VanDerWaalsContact CG-NE2 3.31Å; W257-Q349 HydrophobicContact CZ2-CB 3.9Å; W257-Q349 HydrophobicContact CZ2-CG 4.11Å; W257-Q349 VanDerWaalsContact NE1-NE2 3.17Å; W257-W352 HydrophobicContact CH2-CE3 4.12Å; W257-W352 AromaticContact CH2-CZ3 3.97Å; W257-W352 HydrophobicContact CH2-CZ3 3.97Å; W257-W352 AromaticContact CZ2-CE3 3.89Å; W257-W352 HydrophobicContact CZ2-CE3 3.89Å; W257-W352 HydrophobicContact CZ2-CZ3 4.11Å; W257-I353 HydrophobicContact CH2-CD1 4.06Å; W257-I353 HydrophobicContact CH2-CG1 4.12Å
258K92.8Very high91.4Very high150 Ų15057.6 Ų57.665%0.65227%0.27SS*.Hα-helixtrans-65.3-35.8178.1-75.7-179.7178.2-170.40113.3K254 I255 S256 K262K254-K258 WeakPolarHBondContact O-CG 3.18Å; I255-K258 PolarHBondContact O-N 2.89Å; I255-K258 VanDerWaalsContact O-N 3.14Å; S256-K258 PolarHBondContact O-N 3.48Å; K258-K262 PolarHBondContact O-N 3.19Å
259T93Very high91.4Very high42 Ų4259.7 Ų59.726%0.25829%0.288SS..Hα-helixtrans-71.6-40.5173.447.70000111.5Y244 I255 S256 W257 K262 Y263Y244-T259 PolarHBondContact OH-OG1 2.69Å; I255-T259 PolarHBondContact O-N 2.83Å; I255-T259 VanDerWaalsContact O-N 3.09Å; I255-T259 PolarHBondContact O-OG1 3Å; S256-T259 WeakPolarHBondContact CA-OG1 3.35Å; S256-T259 PolarHBondContact O-N 3.32Å; S256-T259 PolarHBondContact O-OG1 2.99Å; W257-T259 PolarHBondContact O-N 3.33Å; T259-K262 PolarHBondContact O-N 2.94Å; T259-Y263 WeakPolarHBondContact O-CB 3.33Å; T259-Y263 VanDerWaalsContact O-CG 3.24Å; T259-Y263 PolarHBondContact O-N 2.98Å
260F94.5Very high91.5Very high0 Ų059.6 Ų59.60%029%0.287CS..Hα-helixtrans-59.3-48.4173.5175.2-100.8000112.3L241 Y244 S256 W257 K262 Y263 S264 Y325 L328 F329 W352L241-F260 HydrophobicContact CD2-CD2 3.65Å; L241-F260 HydrophobicContact CD2-CE2 3.98Å; Y244-F260 HydrophobicContact CD2-CB 4.04Å; Y244-F260 AromaticContact CD2-CD2 3.75Å; Y244-F260 HydrophobicContact CD2-CD2 3.75Å; Y244-F260 HydrophobicContact CD2-CG 4.38Å; Y244-F260 HydrophobicContact CE2-CB 4.12Å; Y244-F260 HydrophobicContact CG-CB 4.49Å; Y244-F260 HydrophobicContact CG-CD2 4.05Å; S256-F260 VanDerWaalsContact O-CB 3.27Å; S256-F260 WeakPolarHBondContact O-CB 3.39Å; S256-F260 PolarHBondContact O-N 3.1Å; W257-F260 HydrophobicContact CE3-CD1 4.02Å; W257-F260 HydrophobicContact CH2-CD1 4.32Å; W257-F260 HydrophobicContact CH2-CE1 4.27Å; W257-F260 AromaticContact CZ3-CD1 3.83Å; W257-F260 HydrophobicContact CZ3-CD1 3.83Å; W257-F260 HydrophobicContact CZ3-CE1 4Å; W257-F260 PolarHBondContact O-N 3.05Å; F260-K262 PolarHBondContact O-N 3.49Å; F260-Y263 PolarHBondContact O-N 2.98Å; F260-S264 VanDerWaalsContact O-CB 3.23Å; F260-S264 WeakPolarHBondContact O-CB 3.44Å; F260-S264 PolarHBondContact O-N 3.46Å; F260-S264 PolarHBondContact O-OG 2.77Å; F260-Y325 HydrophobicContact CE2-CE1 4.31Å; F260-Y325 HydrophobicContact CZ-CD1 4.47Å; F260-Y325 HydrophobicContact CZ-CE1 4.08Å; F260-L328 HydrophobicContact CE1-CD2 4.45Å; F260-L328 HydrophobicContact CE2-CD2 3.79Å; F260-L328 HydrophobicContact CZ-CD2 3.54Å; F260-F329 HydrophobicContact CE1-CE1 4.47Å; F260-F329 HydrophobicContact CZ-CE1 4.36Å; F260-W352 HydrophobicContact CD1-CH2 4.33Å; F260-W352 AromaticContact CE1-CH2 3.77Å; F260-W352 HydrophobicContact CE1-CH2 3.77Å; F260-W352 AromaticContact CE1-CZ3 3.9Å; F260-W352 HydrophobicContact CE1-CZ3 3.9Å
261L93.7Very high91.5Very high38 Ų3856.7 Ų56.720%0.19927%0.273CS..Hα-helixtrans-51.4-57.1173.6-72.9178.7000110.5W257 Y263 S264 E265 W352W257-L261 HydrophobicContact CG-CG 4.48Å; W257-L261 HydrophobicContact CZ2-CD2 3.82Å; W257-L261 HydrophobicContact CZ2-CG 4.48Å; W257-L261 VanDerWaalsContact O-CG 3.3Å; W257-L261 WeakPolarHBondContact O-CG 3.42Å; W257-L261 PolarHBondContact O-N 3.49Å; L261-Y263 PolarHBondContact O-N 3.11Å; L261-S264 PolarHBondContact O-N 2.68Å; L261-S264 PolarHBondContact O-OG 3.46Å; L261-E265 WeakPolarHBondContact O-CB 3.37Å; L261-E265 WeakPolarHBondContact O-CG 3.26Å; L261-E265 PolarHBondContact O-N 3.48Å; L261-W352 HydrophobicContact CD2-CD2 3.34Å; L261-W352 HydrophobicContact CD2-CE3 3.68Å; L261-W352 HydrophobicContact CD2-CG 3.88Å; L261-W352 HydrophobicContact CD2-CH2 3.82Å; L261-W352 HydrophobicContact CD2-CZ2 3.46Å; L261-W352 VanDerWaalsContact CD2-CZ2 3.46Å; L261-W352 HydrophobicContact CD2-CZ3 3.92Å
262K93.3Very high91.4Very high121 Ų12162.2 Ų62.253%0.52630%0.298SS..Hα-helixtrans-60.2-47.3-176.8-176177.1179.5178.80112.6K258 T259 F260 E266K258-K262 PolarHBondContact O-N 3.19Å; T259-K262 PolarHBondContact O-N 2.94Å; F260-K262 PolarHBondContact O-N 3.49Å; K262-E266 WeakPolarHBondContact CE-OE1 3.45Å; K262-E266 WeakPolarHBondContact O-CG 3.47Å; K262-E266 PolarHBondContact O-N 2.7Å; K262-E266 VanDerWaalsContact O-N 3.11Å
263Y93.6Very high91.3Very high63 Ų6364.4 Ų64.425%0.24732%0.319CS..Hα-helixtrans-71.2-36.3-176.8-63.4-10.9000111.9K237 S240 T259 F260 L261 V267K237-Y263 HydrophobicContact CB-CD1 4.25Å; K237-Y263 HydrophobicContact CB-CD2 4.48Å; K237-Y263 HydrophobicContact CB-CG 4.14Å; K237-Y263 HydrophobicContact CD-CD1 3.81Å; K237-Y263 HydrophobicContact CD-CE1 4.04Å; K237-Y263 HydrophobicContact CG-CD1 3.7Å; K237-Y263 HydrophobicContact CG-CD2 4.45Å; K237-Y263 HydrophobicContact CG-CE1 3.78Å; K237-Y263 HydrophobicContact CG-CG 4.07Å; S240-Y263 VanDerWaalsContact OG-CD2 3.25Å; S240-Y263 WeakPolarHBondContact OG-CD2 3.48Å; S240-Y263 WeakPolarHBondContact OG-CE2 3.43Å; T259-Y263 WeakPolarHBondContact O-CB 3.33Å; T259-Y263 VanDerWaalsContact O-CG 3.24Å; T259-Y263 PolarHBondContact O-N 2.98Å; F260-Y263 PolarHBondContact O-N 2.98Å; L261-Y263 PolarHBondContact O-N 3.11Å; Y263-V267 WeakPolarHBondContact O-CB 3.49Å; Y263-V267 WeakPolarHBondContact O-CG2 3.46Å; Y263-V267 PolarHBondContact O-N 2.86Å
264S93.8Very high90.9Very high0 Ų061.2 Ų61.20%030%0.301CS..Hα-helixtrans-70.1-40.4176.959.40000112.4F260 L261 V267 L268 Y325 W352F260-S264 VanDerWaalsContact O-CB 3.23Å; F260-S264 WeakPolarHBondContact O-CB 3.44Å; F260-S264 PolarHBondContact O-N 3.46Å; F260-S264 PolarHBondContact O-OG 2.77Å; L261-S264 PolarHBondContact O-N 2.68Å; L261-S264 PolarHBondContact O-OG 3.46Å; S264-V267 PolarHBondContact O-N 3.49Å; S264-L268 VanDerWaalsContact O-CB 3.28Å; S264-L268 WeakPolarHBondContact O-CB 3.49Å; S264-L268 VanDerWaalsContact O-CG 3.23Å; S264-L268 WeakPolarHBondContact O-CG 3.31Å; S264-L268 PolarHBondContact O-N 3.25Å; S264-Y325 WeakPolarHBondContact CA-OH 3.18Å; S264-Y325 VanDerWaalsContact CB-OH 3.25Å; S264-Y325 WeakPolarHBondContact CB-OH 3.49Å; S264-W352 WeakPolarHBondContact OG-CH2 3.32Å; S264-W352 WeakPolarHBondContact OG-CZ2 3.46Å
265E93.3Very high90.3Very high100 Ų10059.9 Ų59.947%0.46730%0.296SS..Hα-helixtrans-61.4-44.1173.3-74.6173.6-17800111.9L261 A269 W352L261-E265 WeakPolarHBondContact O-CB 3.37Å; L261-E265 WeakPolarHBondContact O-CG 3.26Å; L261-E265 PolarHBondContact O-N 3.48Å; E265-A269 VanDerWaalsContact O-CB 3.22Å; E265-A269 WeakPolarHBondContact O-CB 3.23Å; E265-A269 PolarHBondContact O-N 3.47Å; E265-W352 HydrophobicContact CG-CZ2 4.31Å; E265-W352 PolarHBondContact OE1-NE1 3.11Å
266E91.4Very high89.5Confident61 Ų6154.4 Ų54.429%0.28527%0.268SS..Hα-helixtrans-61.9-47.3175.3-73.9-173.7-141.200112.1K237 K262 A269 V270K237-E266 VanDerWaalsContact CD-OE2 3.23Å; K237-E266 WeakPolarHBondContact CD-OE2 3.5Å; K237-E266 WeakPolarHBondContact CE-OE2 3.26Å; K237-E266 IonicContact NZ-OE1 2.78Å; K237-E266 PolarHBondContact NZ-OE1 3.25Å; K237-E266 IonicContact NZ-OE2 2.82Å; K237-E266 PolarHBondContact NZ-OE2 2.82Å; K262-E266 WeakPolarHBondContact CE-OE1 3.45Å; K262-E266 WeakPolarHBondContact O-CG 3.47Å; K262-E266 PolarHBondContact O-N 2.7Å; K262-E266 VanDerWaalsContact O-N 3.11Å; E266-A269 WeakPolarHBondContact O-CB 3.37Å; E266-A269 PolarHBondContact O-N 3.08Å; E266-V270 WeakPolarHBondContact O-CG2 3.4Å; E266-V270 PolarHBondContact O-N 2.84Å
267V91.3Very high87.9Confident3 Ų360.6 Ų60.62%0.01830%0.3CS..Hα-helixtrans-67.4-41.6-180168.30000112.1L234 F238 L241 Y263 S264 A269 V270 F271L234-V267 HydrophobicContact CD1-CG2 4.34Å; F238-V267 HydrophobicContact CB-CG2 4.37Å; F238-V267 HydrophobicContact CD2-CG1 3.91Å; F238-V267 HydrophobicContact CD2-CG2 4.19Å; F238-V267 HydrophobicContact CE2-CG1 4.29Å; L241-V267 HydrophobicContact CD1-CB 4.12Å; L241-V267 HydrophobicContact CD1-CG2 3.75Å; Y263-V267 WeakPolarHBondContact O-CB 3.49Å; Y263-V267 WeakPolarHBondContact O-CG2 3.46Å; Y263-V267 PolarHBondContact O-N 2.86Å; S264-V267 PolarHBondContact O-N 3.49Å; V267-A269 VanDerWaalsContact C-N 3.3Å; V267-A269 PolarHBondContact O-N 3.07Å; V267-V270 PolarHBondContact O-N 3.27Å; V267-F271 HydrophobicContact CG1-CD2 4.45Å; V267-F271 HydrophobicContact CG1-CE1 4.44Å; V267-F271 HydrophobicContact CG1-CE2 4.04Å; V267-F271 HydrophobicContact CG1-CZ 4.04Å; V267-F271 PolarHBondContact O-N 3.32Å
268L91.3Very high86.1Confident8 Ų863.7 Ų63.74%0.04232%0.317CS..Hα-helixtrans-67.6-30.9175.1-68.4173.7000111.9S264 F271 K272 L322 Y325 V360 L363S264-L268 VanDerWaalsContact O-CB 3.28Å; S264-L268 WeakPolarHBondContact O-CB 3.49Å; S264-L268 VanDerWaalsContact O-CG 3.23Å; S264-L268 WeakPolarHBondContact O-CG 3.31Å; S264-L268 PolarHBondContact O-N 3.25Å; L268-F271 HydrophobicContact CD2-CD2 4.21Å; L268-F271 PolarHBondContact O-N 2.86Å; L268-K272 VanDerWaalsContact O-CG 3.32Å; L268-K272 WeakPolarHBondContact O-CG 3.28Å; L268-K272 PolarHBondContact O-N 2.8Å; L268-L322 HydrophobicContact CD2-CD2 3.95Å; L268-Y325 HydrophobicContact CD2-CD2 4.38Å; L268-Y325 HydrophobicContact CD2-CE2 4.11Å; L268-Y325 HydrophobicContact CG-CE2 4.45Å; L268-V360 HydrophobicContact CD1-CG2 4.47Å; L268-V360 HydrophobicContact CD2-CG2 4.13Å; L268-L363 HydrophobicContact CD2-CD1 4.1Å
269A90.9Very high84.4Confident51 Ų5160.8 Ų60.842%0.42131%0.312SS..Hα-helixtrans-66.5-38.6171.300000112.1E265 E266 V267 K272 S273E265-A269 VanDerWaalsContact O-CB 3.22Å; E265-A269 WeakPolarHBondContact O-CB 3.23Å; E265-A269 PolarHBondContact O-N 3.47Å; E266-A269 WeakPolarHBondContact O-CB 3.37Å; E266-A269 PolarHBondContact O-N 3.08Å; V267-A269 VanDerWaalsContact C-N 3.3Å; V267-A269 PolarHBondContact O-N 3.07Å; A269-K272 PolarHBondContact O-N 3.38Å; A269-S273 PolarHBondContact O-N 3.09Å; A269-S273 PolarHBondContact O-OG 3.45Å
270V89.1Confident82.4Confident36 Ų3665.2 Ų65.222%0.21833%0.33CS..Hα-helixtrans-64.8-41.3172.4172.60000111.6L234 E266 V267 K272 S273 Y274L234-V270 HydrophobicContact CD1-CG2 4.06Å; L234-V270 HydrophobicContact CD2-CG1 4.31Å; L234-V270 HydrophobicContact CD2-CG2 4.27Å; E266-V270 WeakPolarHBondContact O-CG2 3.4Å; E266-V270 PolarHBondContact O-N 2.84Å; V267-V270 PolarHBondContact O-N 3.27Å; V270-K272 VanDerWaalsContact C-N 3.3Å; V270-K272 PolarHBondContact O-N 2.78Å; V270-S273 PolarHBondContact O-N 3Å; V270-S273 PolarHBondContact O-OG 2.8Å; V270-S273 VanDerWaalsContact O-OG 3.14Å; V270-Y274 WeakPolarHBondContact O-CB 3.33Å; V270-Y274 PolarHBondContact O-N 3.11Å
271F88.1Confident80.1Confident5 Ų569.1 Ų69.12%0.02236%0.362CS..Hα-helixtrans-65-31.6174.7-69.8-15.5000113.3F238 V267 L268 L312 R318 I321 L322 L363F238-F271 HydrophobicContact CE2-CZ 4.18Å; V267-F271 HydrophobicContact CG1-CD2 4.45Å; V267-F271 HydrophobicContact CG1-CE1 4.44Å; V267-F271 HydrophobicContact CG1-CE2 4.04Å; V267-F271 HydrophobicContact CG1-CZ 4.04Å; V267-F271 PolarHBondContact O-N 3.32Å; L268-F271 HydrophobicContact CD2-CD2 4.21Å; L268-F271 PolarHBondContact O-N 2.86Å; F271-L312 HydrophobicContact CD1-CD2 4.29Å; F271-L312 HydrophobicContact CE1-CD2 3.64Å; F271-R318 HydrophobicContact CE1-CG 4.42Å; F271-R318 PolarHBondContact O-NH1 3.12Å; F271-I321 HydrophobicContact CE2-CB 4.25Å; F271-I321 HydrophobicContact CE2-CG2 3.86Å; F271-I321 HydrophobicContact CZ-CB 4.29Å; F271-I321 HydrophobicContact CZ-CG2 4.08Å; F271-L322 HydrophobicContact CD2-CD2 4.14Å; F271-L322 HydrophobicContact CE2-CD2 4.42Å; F271-L363 HydrophobicContact CB-CD1 4.16Å
272K87.7Confident78.1Confident117 Ų11770 Ų7051%0.50937%0.372SS..Hα-helixtrans-73.6-39.8173.6-75.4172.9-179.3179.70113.3L268 A269 V270 S359 L363L268-K272 VanDerWaalsContact O-CG 3.32Å; L268-K272 WeakPolarHBondContact O-CG 3.28Å; L268-K272 PolarHBondContact O-N 2.8Å; A269-K272 PolarHBondContact O-N 3.38Å; V270-K272 VanDerWaalsContact C-N 3.3Å; V270-K272 PolarHBondContact O-N 2.78Å; K272-S359 WeakPolarHBondContact CE-OG 3.27Å; K272-S359 PolarHBondContact NZ-OG 3.48Å; K272-L363 HydrophobicContact CG-CD1 4.31Å; K272-L363 HydrophobicContact CG-CD2 3.87Å; K272-L363 HydrophobicContact CG-CG 4.41Å
273S86.1Confident76.2Confident84 Ų8470.8 Ų70.859%0.58737%0.371SS*.Hα-helixtrans-74.8-36.4-178.664.20000112A269 V270 K275A269-S273 PolarHBondContact O-N 3.09Å; A269-S273 PolarHBondContact O-OG 3.45Å; V270-S273 PolarHBondContact O-N 3Å; V270-S273 PolarHBondContact O-OG 2.8Å; V270-S273 VanDerWaalsContact O-OG 3.14Å; S273-K275 PolarHBondContact O-N 2.91Å
274Y80.9Confident74.1Confident59 Ų5975.2 Ų75.223%0.23139%0.392CS..SBendtrans-87.987.9175.1-162.7-57.7000109.9V270 L276 R318V270-Y274 WeakPolarHBondContact O-CB 3.33Å; V270-Y274 PolarHBondContact O-N 3.11Å; Y274-L276 HydrophobicContact CD1-CD2 4.1Å; Y274-L276 HydrophobicContact CE1-CD2 3.88Å; Y274-R318 VanDerWaalsContact CG-NH2 3.34Å; Y274-R318 PolarHBondContact O-NH1 3.49Å; Y274-R318 PolarHBondContact O-NH2 3.45Å; Y274-R318 VanDerWaalsContact O-NH2 3.14Å
275K75.3Confident72Confident155 Ų15582.5 Ų82.567%0.67442%0.424SS*.PPolyproline II helixtrans-75.6126.3172.7-166.1167.2-171.6166.60110.4S273S273-K275 PolarHBondContact O-N 2.91Å
276L74.1Confident69.8Low23 Ų2383 Ų8312%0.1243%0.428CS..PPolyproline II helixtrans-72.2132.2172.7-63.9-175.1000109.8Y274 S313Y274-L276 HydrophobicContact CD1-CD2 4.1Å; Y274-L276 HydrophobicContact CE1-CD2 3.88Å; L276-S313 WeakPolarHBondContact CD2-O 2.9Å
277D59.6Low67.7Low143 Ų14386.3 Ų86.377%0.76544%0.443SS*.PPolyproline II helixtrans-85.3149.3169.9-158.73.5000110.5T279D277-T279 PolarHBondContact O-N 3.14Å; D277-T279 PolarHBondContact O-OG1 3.33Å; D277-T279 VanDerWaalsContact O-OG1 3.07Å
278D54.1Low65.6Low79 Ų7992.3 Ų92.342%0.42247%0.47SS..  trans-70.798-168.1-170.315.6000111Q280 P368D278-Q280 PolarHBondContact O-N 3.14Å; D278-Q280 WeakPolarHBondContact OD2-CG 3.32Å; D278-Q280 PolarHBondContact OD2-NE2 3.2Å; D278-P368 HydrophobicContact CB-CG 4.38Å; D278-P368 WeakPolarHBondContact OD1-CB 3.25Å
279T57.3Low63.6Low88 Ų8898.1 Ų98.154%0.5450%0.501SS..  trans-7849.4-170.1-20.20000112.4D277 A281 S282D277-T279 PolarHBondContact O-N 3.14Å; D277-T279 PolarHBondContact O-OG1 3.33Å; D277-T279 VanDerWaalsContact O-OG1 3.07Å; T279-A281 PolarHBondContact O-N 2.95Å; T279-A281 VanDerWaalsContact O-N 3.11Å; T279-S282 WeakPolarHBondContact O-CB 3.44Å; T279-S282 PolarHBondContact O-N 3.05Å
280Q50.4Low61.6Low135 Ų135101.9 Ų101.963%0.63151%0.508SS*.Hα-helixtrans-57-25.9174.1-58.4-1631000112.1D278 S282 R283D278-Q280 PolarHBondContact O-N 3.14Å; D278-Q280 WeakPolarHBondContact OD2-CG 3.32Å; D278-Q280 PolarHBondContact OD2-NE2 3.2Å; Q280-S282 VanDerWaalsContact C-N 3.27Å; Q280-S282 PolarHBondContact O-N 3.02Å; Q280-R283 PolarHBondContact O-N 2.74Å
281A47.5Very low59.5Low82 Ų82106.3 Ų106.368%0.67854%0.535SS*.Hα-helixtrans-59.3-33.3170.200000113.5T279T279-A281 PolarHBondContact O-N 2.95Å; T279-A281 VanDerWaalsContact O-N 3.11Å
282S51.2Low57.3Low58 Ų58109.9 Ų109.941%0.40657%0.574SS.*Hα-helixtrans-77.5-34.4-177.8-1690000112.6T279 Q280 K284 K285 M286T279-S282 WeakPolarHBondContact O-CB 3.44Å; T279-S282 PolarHBondContact O-N 3.05Å; Q280-S282 VanDerWaalsContact C-N 3.27Å; Q280-S282 PolarHBondContact O-N 3.02Å; S282-K284 PolarHBondContact O-N 3.14Å; S282-K285 PolarHBondContact O-N 3.32Å; S282-M286 WeakPolarHBondContact O-CB 3.37Å; S282-M286 PolarHBondContact O-N 3.4Å
283R53Low55Low136 Ų136106.8 Ų106.851%0.51358%0.575SS.*Hα-helixtrans-54-39.8175-94.1-178169.6170-5.1112.2Q280 M286 E287 P369 D370Q280-R283 PolarHBondContact O-N 2.74Å; R283-M286 PolarHBondContact O-N 2.85Å; R283-E287 WeakPolarHBondContact O-CG 3.4Å; R283-E287 PolarHBondContact O-N 2.82Å; R283-P369 VanDerWaalsContact NH2-CB 3.3Å; R283-D370 IonicContact NH2-OD2 3.3Å
284K49.1Very low53.2Low156 Ų156111.9 Ų111.968%0.67859%0.589SS**Hα-helixtrans-68-49.5-179.3-134.6178.8-177.7-173.90112.5S282 M286 E287 E288S282-K284 PolarHBondContact O-N 3.14Å; K284-M286 VanDerWaalsContact C-N 3.32Å; K284-M286 PolarHBondContact O-N 2.67Å; K284-E287 PolarHBondContact O-N 3.24Å; K284-E288 WeakPolarHBondContact O-CG 3.42Å; K284-E288 PolarHBondContact O-N 3.24Å
285K49.3Very low51.8Low153 Ų153116.3 Ų116.367%0.66561%0.612SS**Hα-helixtrans-63.3-35.6173.9-87.1-172.9170.5-1760112.8S282 E288 L289S282-K285 PolarHBondContact O-N 3.32Å; K285-E288 PolarHBondContact O-N 3.34Å; K285-L289 PolarHBondContact O-N 3Å
286M47.1Very low51.4Low112 Ų112114 Ų11455%0.55261%0.61SS**Hα-helixtrans-78.9-18-178.2-162.916969.900113.3S282 R283 K284S282-M286 WeakPolarHBondContact O-CB 3.37Å; S282-M286 PolarHBondContact O-N 3.4Å; R283-M286 PolarHBondContact O-N 2.85Å; K284-M286 VanDerWaalsContact C-N 3.32Å; K284-M286 PolarHBondContact O-N 2.67Å
287E47.6Very low51.4Low130 Ų130122.4 Ų122.461%0.60764%0.642SS**Hα-helixtrans-79.3-36.5164.6-75.2-173145.700112.1R283 K284 K290R283-E287 WeakPolarHBondContact O-CG 3.4Å; R283-E287 PolarHBondContact O-N 2.82Å; K284-E287 PolarHBondContact O-N 3.24Å; E287-K290 PolarHBondContact O-N 2.93Å
288E47.4Very low52.2Low128 Ų128122.1 Ų122.160%0.59863%0.634SS**Hα-helixtrans-65.1-35.9174.1-71.1168.1170.500112.4K284 K285 K290 T291K284-E288 WeakPolarHBondContact O-CG 3.42Å; K284-E288 PolarHBondContact O-N 3.24Å; K285-E288 PolarHBondContact O-N 3.34Å; E288-K290 VanDerWaalsContact C-N 3.27Å; E288-K290 PolarHBondContact O-N 2.95Å; E288-T291 PolarHBondContact O-OG1 3.04Å
289L49.4Very low53.2Low131 Ų131121.7 Ų121.769%0.68664%0.641SS**G310 helixtrans-68.6-17.6176.5-105.675.3000114.9K285 T291K285-L289 PolarHBondContact O-N 3Å; L289-T291 PolarHBondContact O-N 2.79Å; L289-T291 VanDerWaalsContact O-N 3.17Å
290K49.5Very low54.4Low130 Ų130123.7 Ų123.757%0.56564%0.643SS**G310 helixtrans-70-7.6-179.2-74.6175-177.1171.80114.1E287 E288E287-K290 PolarHBondContact O-N 2.93Å; E288-K290 VanDerWaalsContact C-N 3.27Å; E288-K290 PolarHBondContact O-N 2.95Å
291T44.8Very low56Low129 Ų129120.2 Ų120.279%0.79163%0.625SS**G310 helixtrans-103.67.5-171.851.40000115.8E288 L289E288-T291 PolarHBondContact O-OG1 3.04Å; L289-T291 PolarHBondContact O-N 2.79Å; L289-T291 VanDerWaalsContact O-N 3.17Å
292G42.1Very low57.8Low80 Ų80119.8 Ų119.883%0.82561%0.611SS**THydrogen-bonded Turntrans-162.5-0.7-176.600000120.8
293G40.1Very low59.4Low52 Ų52118.7 Ų118.754%0.53660%0.602SS.*SBendtrans-113.1148178.600000113.4H295G293-H295 PolarHBondContact O-N 3.35Å
294E46.8Very low60.8Low191 Ų191114.6 Ų114.689%0.89360%0.595SS**  trans-59.8120.7159.1-77.7-170.2134.300108.4V296E294-V296 VanDerWaalsContact C-N 3.33Å; E294-V296 PolarHBondContact O-N 2.86Å
295H52.8Low62.3Low151 Ų151107.5 Ų107.570%0.69956%0.564SS**  trans-71.188.7177.2-91.5-69000110.2G293 Y297G293-H295 PolarHBondContact O-N 3.35Å; H295-Y297 PolarHBondContact O-N 3.29Å; H295-Y297 VanDerWaalsContact O-N 3.12Å
296V66.1Low63.8Low107 Ų107107.1 Ų107.165%0.64856%0.562SS**  trans-65.6108.7171.7-1780000109E294 F298E294-V296 VanDerWaalsContact C-N 3.33Å; E294-V296 PolarHBondContact O-N 2.86Å; V296-F298 HydrophobicContact CG1-CE1 4.35Å; V296-F298 HydrophobicContact CG1-CZ 4.38Å
297Y74.4Confident65.4Low199 Ų199104.7 Ų104.778%0.7855%0.551SS**  trans-94.1117.5-179.6179.1-96.5000111.4H295 A299H295-Y297 PolarHBondContact O-N 3.29Å; H295-Y297 VanDerWaalsContact O-N 3.12Å; Y297-A299 HydrophobicContact CD1-CB 4.22Å; Y297-A299 HydrophobicContact CE1-CB 4.11Å; Y297-A299 PolarHBondContact O-N 2.88Å
298F76.2Confident67Low138 Ų13898.6 Ų98.661%0.60552%0.523SS*.  trans-78.299.2176.6-59.9-72000111.1V296 K300 L302V296-F298 HydrophobicContact CG1-CE1 4.35Å; V296-F298 HydrophobicContact CG1-CZ 4.38Å; F298-K300 VanDerWaalsContact C-N 3.31Å; F298-K300 PolarHBondContact O-N 2.94Å; F298-L302 HydrophobicContact CD1-CD1 4.18Å; F298-L302 HydrophobicContact CD1-CD2 4.29Å; F298-L302 HydrophobicContact CE1-CD1 4.38Å; F298-L302 HydrophobicContact CG-CD1 4.45Å
299A75.4Confident68.6Low69 Ų6995.1 Ų95.157%0.5751%0.508SS*.  trans-76.4-10.9-176.200000115.3Y297Y297-A299 HydrophobicContact CD1-CB 4.22Å; Y297-A299 HydrophobicContact CE1-CB 4.11Å; Y297-A299 PolarHBondContact O-N 2.88Å
300K81.6Confident70.2Confident131 Ų13194.5 Ų94.557%0.5751%0.505SS*.SBendtrans-135.6158178.4-76.3-165168-155.40110.5N185 F298N185-K300 VanDerWaalsContact OD1-CE 3.26Å; N185-K300 WeakPolarHBondContact OD1-CE 3.35Å; N185-K300 PolarHBondContact OD1-NZ 3.24Å; F298-K300 VanDerWaalsContact C-N 3.31Å; F298-K300 PolarHBondContact O-N 2.94Å
301F85Confident71.9Confident61 Ų6189.3 Ų89.327%0.26848%0.483SS..  trans-59.7138169.2-61.5-50.6000111.5W239 F317 H320 I321W239-F301 HydrophobicContact CH2-CB 3.79Å; W239-F301 HydrophobicContact CH2-CG 4.3Å; W239-F301 HydrophobicContact CZ3-CB 3.87Å; W239-F301 HydrophobicContact CZ3-CD2 4.19Å; W239-F301 HydrophobicContact CZ3-CG 4.17Å; F301-F317 HydrophobicContact CD1-CD2 4.49Å; F301-F317 HydrophobicContact CD1-CE2 4.08Å; F301-F317 HydrophobicContact CE1-CE2 4.41Å; F301-H320 HydrophobicContact CE1-CB 4.2Å; F301-H320 HydrophobicContact CZ-CB 4.38Å; F301-I321 HydrophobicContact CZ-CD1 4.44Å
302L84.6Confident73.7Confident73 Ų7383.5 Ų83.538%0.38245%0.447SS..  trans-90.9103.5175.6-60.5172.3000108.3F298 S304 L307 Q311F298-L302 HydrophobicContact CD1-CD1 4.18Å; F298-L302 HydrophobicContact CD1-CD2 4.29Å; F298-L302 HydrophobicContact CE1-CD1 4.38Å; F298-L302 HydrophobicContact CG-CD1 4.45Å; L302-S304 PolarHBondContact O-N 3.42Å; L302-S304 VanDerWaalsContact O-N 3.08Å; L302-L307 HydrophobicContact CB-CD2 4.41Å; L302-L307 HydrophobicContact CD1-CD2 4.09Å; L302-Q311 PolarHBondContact O-NE2 3.04Å
303T85.1Confident75.6Confident35 Ų3582.2 Ų82.222%0.21543%0.425CS..  trans-81.423.5-175.347.60000114T187 V188 F189 Y235 W239 E305T187-T303 HydrophobicContact CG2-CG2 3.6Å; V188-T303 VanDerWaalsContact O-CB 3.23Å; V188-T303 WeakPolarHBondContact O-CB 3.49Å; V188-T303 VanDerWaalsContact O-CG2 3.31Å; V188-T303 WeakPolarHBondContact O-CG2 3.32Å; V188-T303 PolarHBondContact O-OG1 3.43Å; F189-T303 HydrophobicContact CB-CG2 4.1Å; Y235-T303 WeakPolarHBondContact CE2-O 3.49Å; Y235-T303 PolarHBondContact OH-O 2.94Å; W239-T303 HydrophobicContact CD2-CG2 3.98Å; W239-T303 HydrophobicContact CE3-CG2 3.93Å; W239-T303 HydrophobicContact CH2-CG2 4.07Å; W239-T303 HydrophobicContact CZ2-CG2 4.08Å; W239-T303 HydrophobicContact CZ3-CG2 3.99Å; T303-E305 PolarHBondContact O-N 3.22Å
304S82.3Confident77.7Confident51 Ų5182.7 Ų82.736%0.35742%0.416SS..  trans-73.9125.8178.4178.30000111.1L302 K306 L307L302-S304 PolarHBondContact O-N 3.42Å; L302-S304 VanDerWaalsContact O-N 3.08Å; S304-K306 VanDerWaalsContact C-N 3.3Å; S304-K306 PolarHBondContact O-N 2.91Å; S304-L307 PolarHBondContact O-N 3.19Å; S304-L307 VanDerWaalsContact O-N 3.11Å
305E80.9Confident79.6Confident7 Ų774.7 Ų74.73%0.03338%0.38CS..G310 helixtrans-54.5-44.6176.7-67.4171.9-172.700112.4N190 T197 L198 Y235 T303 L307 M308N190-E305 VanDerWaalsContact CB-OE1 3.31Å; N190-E305 WeakPolarHBondContact CB-OE1 3.3Å; N190-E305 PolarHBondContact ND2-OE1 3.48Å; T197-E305 WeakPolarHBondContact CA-OE2 3.37Å; T197-E305 WeakPolarHBondContact CB-OE2 3.41Å; T197-E305 PolarHBondContact N-OE2 2.96Å; T197-E305 PolarHBondContact OG1-OE2 3.23Å; L198-E305 HydrophobicContact CD1-CB 3.83Å; L198-E305 HydrophobicContact CD1-CG 4.29Å; L198-E305 HydrophobicContact CG-CB 3.96Å; L198-E305 PolarHBondContact N-OE2 3.05Å; Y235-E305 HydrophobicContact CD1-CG 4.15Å; Y235-E305 HydrophobicContact CD2-CB 4.34Å; Y235-E305 HydrophobicContact CD2-CG 3.95Å; Y235-E305 HydrophobicContact CE1-CG 3.86Å; Y235-E305 HydrophobicContact CE2-CB 4.17Å; Y235-E305 HydrophobicContact CE2-CG 3.6Å; Y235-E305 HydrophobicContact CG-CG 4.21Å; T303-E305 PolarHBondContact O-N 3.22Å; E305-L307 PolarHBondContact O-N 3.34Å; E305-M308 WeakPolarHBondContact O-CB 3.35Å; E305-M308 PolarHBondContact O-N 2.88Å; E305-M308 VanDerWaalsContact O-N 3.16Å
306K79.7Confident81.3Confident144 Ų14471.2 Ų71.263%0.62637%0.367SS*.G310 helixtrans-64.1-21.4-179.9-59.8-175.2-178.31800113.4S304S304-K306 VanDerWaalsContact C-N 3.3Å; S304-K306 PolarHBondContact O-N 2.91Å
307L82.6Confident82.3Confident62 Ų6266.7 Ų66.733%0.32534%0.339SS..G310 helixtrans-92.1-4.7-179.5-87.766000112.9L302 S304 E305 D309 L310 Q311L302-L307 HydrophobicContact CB-CD2 4.41Å; L302-L307 HydrophobicContact CD1-CD2 4.09Å; S304-L307 PolarHBondContact O-N 3.19Å; S304-L307 VanDerWaalsContact O-N 3.11Å; E305-L307 PolarHBondContact O-N 3.34Å; L307-D309 VanDerWaalsContact C-N 3.32Å; L307-D309 PolarHBondContact O-N 2.9Å; L307-L310 PolarHBondContact O-N 3.25Å; L307-Q311 WeakPolarHBondContact O-CG 3.28Å; L307-Q311 PolarHBondContact O-N 3.36Å
308M80.9Confident83Confident2 Ų257.6 Ų57.61%0.0130%0.303CS..Hα-helixtrans-60.8-39.2-174.4-168.767.7-173.100112.3I230 F238 E305 Q311 L312I230-M308 HydrophobicContact CD1-CB 3.81Å; I230-M308 HydrophobicContact CD1-CG 3.73Å; I230-M308 HydrophobicContact CG2-CB 4.28Å; I230-M308 HydrophobicContact CG2-CG 4.06Å; F238-M308 HydrophobicContact CB-CE 4.05Å; F238-M308 HydrophobicContact CD1-CE 3.73Å; F238-M308 HydrophobicContact CD1-SD 4.36Å; F238-M308 HydrophobicContact CD2-CE 3.91Å; F238-M308 HydrophobicContact CE1-CE 4.15Å; F238-M308 HydrophobicContact CE2-CE 4.3Å; F238-M308 HydrophobicContact CG-CE 3.6Å; F238-M308 HydrophobicContact CZ-CE 4.42Å; E305-M308 WeakPolarHBondContact O-CB 3.35Å; E305-M308 PolarHBondContact O-N 2.88Å; E305-M308 VanDerWaalsContact O-N 3.16Å; M308-Q311 PolarHBondContact O-N 3.24Å; M308-L312 HydrophobicContact CE-CD1 4.22Å; M308-L312 HydrophobicContact CE-CD2 3.95Å; M308-L312 HydrophobicContact CE-CG 4.04Å; M308-L312 HydrophobicContact CG-CD1 4.32Å; M308-L312 HydrophobicContact CG-CG 4.45Å; M308-L312 WeakPolarHBondContact O-CB 3.02Å; M308-L312 VanDerWaalsContact O-CG 3.28Å; M308-L312 WeakPolarHBondContact O-CG 3.36Å; M308-L312 PolarHBondContact O-N 3.02Å
309D80.9Confident83.7Confident55 Ų5552.3 Ų52.329%0.29428%0.279SS..Hα-helixtrans-59.4-48.3174.9-81.9-69.1000112.2I230 L307 Q311 L312 S313I230-D309 HydrophobicContact CD1-CB 4.03Å; I230-D309 VanDerWaalsContact CD1-N 3.33Å; I230-D309 VanDerWaalsContact CD1-OD1 3.26Å; I230-D309 WeakPolarHBondContact CD1-OD1 3.36Å; I230-D309 WeakPolarHBondContact CD1-OD2 3.44Å; I230-D309 WeakPolarHBondContact CG1-OD1 3.43Å; L307-D309 VanDerWaalsContact C-N 3.32Å; L307-D309 PolarHBondContact O-N 2.9Å; D309-Q311 VanDerWaalsContact C-N 3.34Å; D309-Q311 PolarHBondContact O-N 3.04Å; D309-L312 PolarHBondContact O-N 3.43Å; D309-S313 PolarHBondContact O-N 3.18Å
310L83.1Confident84.5Confident117 Ų11753.7 Ų53.761%0.61327%0.273SS*.Hα-helixtrans-63.1-41.7179.3-67.1168.4000110.9L307 S313 D314L307-L310 PolarHBondContact O-N 3.25Å; L310-S313 PolarHBondContact O-N 3.17Å; L310-S313 PolarHBondContact O-OG 2.9Å; L310-D314 PolarHBondContact O-N 3.02Å
311Q84.1Confident85Confident21 Ų2147.6 Ų47.610%0.09825%0.247CC..Hα-helixtrans-66.4-41.2176.4-72177.37.100112.7L302 L307 M308 D309 S313 D314 F317L302-Q311 PolarHBondContact O-NE2 3.04Å; L307-Q311 WeakPolarHBondContact O-CG 3.28Å; L307-Q311 PolarHBondContact O-N 3.36Å; M308-Q311 PolarHBondContact O-N 3.24Å; D309-Q311 VanDerWaalsContact C-N 3.34Å; D309-Q311 PolarHBondContact O-N 3.04Å; Q311-S313 PolarHBondContact O-N 2.98Å; Q311-D314 PolarHBondContact O-N 3.18Å; Q311-D314 VanDerWaalsContact O-N 3.16Å; Q311-F317 HydrophobicContact CB-CD1 3.79Å; Q311-F317 HydrophobicContact CB-CD2 4.2Å; Q311-F317 HydrophobicContact CB-CE1 3.83Å; Q311-F317 HydrophobicContact CB-CE2 4.24Å; Q311-F317 HydrophobicContact CB-CG 3.96Å; Q311-F317 HydrophobicContact CB-CZ 4.04Å; Q311-F317 HydrophobicContact CG-CD2 4.34Å; Q311-F317 HydrophobicContact CG-CE2 4.35Å; Q311-F317 WeakPolarHBondContact O-CB 3.09Å; Q311-F317 WeakPolarHBondContact O-CD1 3.19Å
312L82.5Confident85.4Confident8 Ų844.7 Ų44.74%0.04223%0.234CC..Hα-helixtrans-65.2-26.3174.8-71.9-179.8000112.6I230 F271 M308 D309 R318I230-L312 HydrophobicContact CD1-CD1 3.79Å; F271-L312 HydrophobicContact CD1-CD2 4.29Å; F271-L312 HydrophobicContact CE1-CD2 3.64Å; M308-L312 HydrophobicContact CE-CD1 4.22Å; M308-L312 HydrophobicContact CE-CD2 3.95Å; M308-L312 HydrophobicContact CE-CG 4.04Å; M308-L312 HydrophobicContact CG-CD1 4.32Å; M308-L312 HydrophobicContact CG-CG 4.45Å; M308-L312 WeakPolarHBondContact O-CB 3.02Å; M308-L312 VanDerWaalsContact O-CG 3.28Å; M308-L312 WeakPolarHBondContact O-CG 3.36Å; M308-L312 PolarHBondContact O-N 3.02Å; D309-L312 PolarHBondContact O-N 3.43Å; L312-R318 VanDerWaalsContact O-CZ 3.29Å; L312-R318 PolarHBondContact O-NE 2.96Å; L312-R318 PolarHBondContact O-NH2 3.13Å
313S82.3Confident85.9Confident52 Ų5243.5 Ų43.536%0.36423%0.228SC..Hα-helixtrans-79.1-21.1173.780.40000114.2L276 D309 L310 Q311L276-S313 WeakPolarHBondContact CD2-O 2.9Å; D309-S313 PolarHBondContact O-N 3.18Å; L310-S313 PolarHBondContact O-N 3.17Å; L310-S313 PolarHBondContact O-OG 2.9Å; Q311-S313 PolarHBondContact O-N 2.98Å
314D85.3Confident86.4Confident63 Ų6344 Ų4434%0.33723%0.228SC..  trans-80.8121.6179.7175.928.3000112.2L310 Q311 N316 F317 R318L310-D314 PolarHBondContact O-N 3.02Å; Q311-D314 PolarHBondContact O-N 3.18Å; Q311-D314 VanDerWaalsContact O-N 3.16Å; D314-N316 PolarHBondContact O-N 3.45Å; D314-N316 PolarHBondContact OD1-N 3.04Å; D314-N316 PolarHBondContact OD1-ND2 2.8Å; D314-N316 WeakPolarHBondContact OD2-CB 3.44Å; D314-F317 HydrophobicContact CB-CB 4.08Å; D314-F317 PolarHBondContact O-N 3.4Å; D314-F317 PolarHBondContact OD2-N 2.99Å; D314-R318 PolarHBondContact O-N 3.23Å
315S86.1Confident87Confident22 Ų2241.5 Ų41.515%0.15421%0.211CC..Hα-helixtrans-63.1-29.6175.366.40000113R319 P368S315-R319 WeakPolarHBondContact O-CD 3.45Å; S315-R319 VanDerWaalsContact O-CG 3.24Å; S315-R319 WeakPolarHBondContact O-CG 3.34Å; S315-R319 PolarHBondContact O-N 3.08Å; S315-R319 VanDerWaalsContact O-N 3.07Å; S315-P368 VanDerWaalsContact CB-O 3.24Å; S315-P368 WeakPolarHBondContact CB-O 3.38Å; S315-P368 PolarHBondContact OG-O 2.99Å
316N87.3Confident87.7Confident78 Ų7841.4 Ų41.442%0.41721%0.21SC..Hα-helixtrans-71.4-47.5177.3-55.2-74.9000110.7D314 R318 R319 H320D314-N316 PolarHBondContact O-N 3.45Å; D314-N316 PolarHBondContact OD1-N 3.04Å; D314-N316 PolarHBondContact OD1-ND2 2.8Å; D314-N316 WeakPolarHBondContact OD2-CB 3.44Å; N316-R318 VanDerWaalsContact C-N 3.3Å; N316-R318 PolarHBondContact O-N 2.76Å; N316-R319 WeakPolarHBondContact O-CA 3.49Å; N316-R319 WeakPolarHBondContact O-CB 3.33Å; N316-R319 PolarHBondContact O-N 3.06Å; N316-H320 PolarHBondContact O-N 2.77Å; N316-H320 PolarHBondContact O-ND1 3.14Å
317F88.8Confident88.4Confident13 Ų1338.6 Ų38.66%0.05720%0.201CC..Hα-helixtrans-52.2-47.7174.1-174.8-104.6000112.2F238 W239 F301 Q311 D314 R319 H320 I321F238-F317 HydrophobicContact CE1-CE1 4.18Å; F238-F317 AromaticContact CE1-CZ 3.69Å; F238-F317 HydrophobicContact CE1-CZ 3.69Å; F238-F317 HydrophobicContact CE2-CE1 4.29Å; F238-F317 AromaticContact CZ-CE1 3.57Å; F238-F317 HydrophobicContact CZ-CE1 3.57Å; F238-F317 AromaticContact CZ-CZ 3.43Å; F238-F317 HydrophobicContact CZ-CZ 3.43Å; F238-F317 VanDerWaalsContact CZ-CZ 3.43Å; W239-F317 HydrophobicContact CH2-CE2 4.35Å; W239-F317 HydrophobicContact CH2-CZ 4.23Å; F301-F317 HydrophobicContact CD1-CD2 4.49Å; F301-F317 HydrophobicContact CD1-CE2 4.08Å; F301-F317 HydrophobicContact CE1-CE2 4.41Å; Q311-F317 HydrophobicContact CB-CD1 3.79Å; Q311-F317 HydrophobicContact CB-CD2 4.2Å; Q311-F317 HydrophobicContact CB-CE1 3.83Å; Q311-F317 HydrophobicContact CB-CE2 4.24Å; Q311-F317 HydrophobicContact CB-CG 3.96Å; Q311-F317 HydrophobicContact CB-CZ 4.04Å; Q311-F317 HydrophobicContact CG-CD2 4.34Å; Q311-F317 HydrophobicContact CG-CE2 4.35Å; Q311-F317 WeakPolarHBondContact O-CB 3.09Å; Q311-F317 WeakPolarHBondContact O-CD1 3.19Å; D314-F317 HydrophobicContact CB-CB 4.08Å; D314-F317 PolarHBondContact O-N 3.4Å; D314-F317 PolarHBondContact OD2-N 2.99Å; F317-R319 PolarHBondContact O-N 2.99Å; F317-H320 WeakPolarHBondContact O-CB 3.31Å; F317-H320 PolarHBondContact O-N 3.19Å; F317-H320 VanDerWaalsContact O-N 3.17Å; F317-I321 HydrophobicContact CE1-CG1 4.33Å; F317-I321 HydrophobicContact CZ-CG1 4.47Å; F317-I321 PolarHBondContact O-N 3.03Å
318R88.9Confident89Confident7 Ų736 Ų363%0.02619%0.188CC..Hα-helixtrans-58.1-43.8174.2-66.6-173-175.4-144.3-4.5113F271 Y274 L312 D314 N316 H320 I321 L322F271-R318 HydrophobicContact CE1-CG 4.42Å; F271-R318 PolarHBondContact O-NH1 3.12Å; Y274-R318 VanDerWaalsContact CG-NH2 3.34Å; Y274-R318 PolarHBondContact O-NH1 3.49Å; Y274-R318 PolarHBondContact O-NH2 3.45Å; Y274-R318 VanDerWaalsContact O-NH2 3.14Å; L312-R318 VanDerWaalsContact O-CZ 3.29Å; L312-R318 PolarHBondContact O-NE 2.96Å; L312-R318 PolarHBondContact O-NH2 3.13Å; D314-R318 PolarHBondContact O-N 3.23Å; N316-R318 VanDerWaalsContact C-N 3.3Å; N316-R318 PolarHBondContact O-N 2.76Å; R318-H320 VanDerWaalsContact C-N 3.33Å; R318-H320 PolarHBondContact O-N 3Å; R318-I321 PolarHBondContact O-N 2.96Å; R318-L322 WeakPolarHBondContact O-CB 3.27Å; R318-L322 VanDerWaalsContact O-CG 3.27Å; R318-L322 WeakPolarHBondContact O-CG 3.39Å; R318-L322 PolarHBondContact O-N 3.27Å
319R90.6Very high89.6Confident28 Ų2836.1 Ų36.111%0.10619%0.188CC..Hα-helixtrans-59-42.7176.1-74.1165.8-179.7-157.4-7.9111.6S315 N316 F317 I321 L322 L323 L364 N367 P368 P369 F374S315-R319 WeakPolarHBondContact O-CD 3.45Å; S315-R319 VanDerWaalsContact O-CG 3.24Å; S315-R319 WeakPolarHBondContact O-CG 3.34Å; S315-R319 PolarHBondContact O-N 3.08Å; S315-R319 VanDerWaalsContact O-N 3.07Å; N316-R319 WeakPolarHBondContact O-CA 3.49Å; N316-R319 WeakPolarHBondContact O-CB 3.33Å; N316-R319 PolarHBondContact O-N 3.06Å; F317-R319 PolarHBondContact O-N 2.99Å; R319-I321 PolarHBondContact O-N 3.49Å; R319-L322 PolarHBondContact O-N 3.15Å; R319-L323 VanDerWaalsContact O-CB 3.27Å; R319-L323 WeakPolarHBondContact O-CB 3.22Å; R319-L323 WeakPolarHBondContact O-CG 3.33Å; R319-L323 PolarHBondContact O-N 3.48Å; R319-L364 HydrophobicContact CG-CD2 4.24Å; R319-N367 PolarHBondContact NH2-O 3.41Å; R319-P368 PolarHBondContact NH2-O 3.46Å; R319-P369 PolarHBondContact NH2-O 2.83Å; R319-F374 HydrophobicContact CB-CE1 4.35Å; R319-F374 HydrophobicContact CB-CZ 4.4Å; R319-F374 HydrophobicContact CG-CE1 4.05Å; R319-F374 HydrophobicContact CG-CZ 4.39Å
320H91.9Very high90.1Very high97 Ų9735.4 Ų35.445%0.44918%0.183SC..Hα-helixtrans-59.1-45.3176.5-65102.5000112.3F301 N316 F317 R318 Q324F301-H320 HydrophobicContact CE1-CB 4.2Å; F301-H320 HydrophobicContact CZ-CB 4.38Å; N316-H320 PolarHBondContact O-N 2.77Å; N316-H320 PolarHBondContact O-ND1 3.14Å; F317-H320 WeakPolarHBondContact O-CB 3.31Å; F317-H320 PolarHBondContact O-N 3.19Å; F317-H320 VanDerWaalsContact O-N 3.17Å; R318-H320 VanDerWaalsContact C-N 3.33Å; R318-H320 PolarHBondContact O-N 3Å; H320-Q324 WeakPolarHBondContact O-CG 3.45Å; H320-Q324 PolarHBondContact O-N 3.47Å
321I92.4Very high90.5Very high3 Ų331.8 Ų31.82%0.01516%0.162CC..Hα-helixtrans-69.5-44.2-180-57-59.1000111.6F238 F271 F301 F317 R318 R319 L323 Q324 Y325F238-I321 HydrophobicContact CE1-CD1 4.49Å; F238-I321 HydrophobicContact CE2-CD1 4.28Å; F238-I321 HydrophobicContact CE2-CG1 4.13Å; F238-I321 HydrophobicContact CE2-CG2 4.34Å; F238-I321 HydrophobicContact CZ-CD1 3.63Å; F238-I321 HydrophobicContact CZ-CG1 3.79Å; F271-I321 HydrophobicContact CE2-CB 4.25Å; F271-I321 HydrophobicContact CE2-CG2 3.86Å; F271-I321 HydrophobicContact CZ-CB 4.29Å; F271-I321 HydrophobicContact CZ-CG2 4.08Å; F301-I321 HydrophobicContact CZ-CD1 4.44Å; F317-I321 HydrophobicContact CE1-CG1 4.33Å; F317-I321 HydrophobicContact CZ-CG1 4.47Å; F317-I321 PolarHBondContact O-N 3.03Å; R318-I321 PolarHBondContact O-N 2.96Å; R319-I321 PolarHBondContact O-N 3.49Å; I321-L323 VanDerWaalsContact C-N 3.33Å; I321-L323 PolarHBondContact O-N 3.5Å; I321-Q324 WeakPolarHBondContact O-CB 3.47Å; I321-Q324 PolarHBondContact O-N 3.04Å; I321-Q324 VanDerWaalsContact O-N 3.15Å; I321-Y325 HydrophobicContact CG2-CD2 4.09Å; I321-Y325 HydrophobicContact CG2-CE2 3.84Å; I321-Y325 VanDerWaalsContact O-CD2 3.32Å; I321-Y325 WeakPolarHBondContact O-CD2 3.28Å; I321-Y325 PolarHBondContact O-N 3.04Å
322L93.4Very high90.7Very high1 Ų131.1 Ų31.11%0.00516%0.158CC..Hα-helixtrans-65.1-35.7177.8-67.3171.3000112L268 F271 R318 R319 Y325 L326 V360 L363 L364 N367L268-L322 HydrophobicContact CD2-CD2 3.95Å; F271-L322 HydrophobicContact CD2-CD2 4.14Å; F271-L322 HydrophobicContact CE2-CD2 4.42Å; R318-L322 WeakPolarHBondContact O-CB 3.27Å; R318-L322 VanDerWaalsContact O-CG 3.27Å; R318-L322 WeakPolarHBondContact O-CG 3.39Å; R318-L322 PolarHBondContact O-N 3.27Å; R319-L322 PolarHBondContact O-N 3.15Å; L322-Y325 PolarHBondContact O-N 3.12Å; L322-L326 WeakPolarHBondContact O-CG 3.17Å; L322-L326 PolarHBondContact O-N 3.39Å; L322-L326 VanDerWaalsContact O-N 3.12Å; L322-V360 HydrophobicContact CB-CG1 4.05Å; L322-V360 HydrophobicContact CD2-CB 4.45Å; L322-V360 HydrophobicContact CD2-CG1 3.98Å; L322-V360 HydrophobicContact CD2-CG2 4.09Å; L322-L363 HydrophobicContact CD1-CB 3.97Å; L322-L363 HydrophobicContact CD2-CB 4.36Å; L322-L363 HydrophobicContact CD2-CD1 4.11Å; L322-L364 HydrophobicContact CB-CD1 4.49Å; L322-L364 HydrophobicContact CB-CD2 3.73Å; L322-L364 HydrophobicContact CB-CG 4.04Å; L322-L364 HydrophobicContact CD1-CD2 3.79Å; L322-L364 HydrophobicContact CD1-CG 4.09Å; L322-L364 HydrophobicContact CG-CD2 4.43Å; L322-N367 WeakPolarHBondContact CD1-ND2 3.37Å
323L95Very high90.9Very high48 Ų4835.4 Ų35.425%0.25118%0.177SC..Hα-helixtrans-63.7-42.4169.9-75.3172.7000112.1R319 I321 Y325 L326 I327 F374 V378R319-L323 VanDerWaalsContact O-CB 3.27Å; R319-L323 WeakPolarHBondContact O-CB 3.22Å; R319-L323 WeakPolarHBondContact O-CG 3.33Å; R319-L323 PolarHBondContact O-N 3.48Å; I321-L323 VanDerWaalsContact C-N 3.33Å; I321-L323 PolarHBondContact O-N 3.5Å; L323-Y325 VanDerWaalsContact C-N 3.31Å; L323-Y325 PolarHBondContact O-N 3.34Å; L323-L326 PolarHBondContact O-N 3.11Å; L323-L326 VanDerWaalsContact O-N 3.17Å; L323-I327 VanDerWaalsContact O-CG1 3.31Å; L323-I327 WeakPolarHBondContact O-CG1 3.48Å; L323-I327 PolarHBondContact O-N 2.71Å; L323-F374 HydrophobicContact CD1-CZ 4.14Å; L323-F374 HydrophobicContact CD2-CE1 4.45Å; L323-F374 HydrophobicContact CD2-CZ 4.47Å; L323-V378 HydrophobicContact CD2-CB 4.47Å; L323-V378 HydrophobicContact CD2-CG1 3.9Å; L323-V378 HydrophobicContact CD2-CG2 3.63Å
324Q94.5Very high90.9Very high44 Ų4434 Ų3421%0.20617%0.17CC..Hα-helixtrans-61.9-37.7176-75.5-178.313.900112.3F245 H320 I321 L328F245-Q324 HydrophobicContact CD1-CB 4.02Å; F245-Q324 HydrophobicContact CD2-CB 4.31Å; F245-Q324 VanDerWaalsContact CD2-OE1 3.29Å; F245-Q324 HydrophobicContact CE1-CB 4.13Å; F245-Q324 HydrophobicContact CE2-CB 4.41Å; F245-Q324 HydrophobicContact CG-CB 4.14Å; F245-Q324 HydrophobicContact CZ-CB 4.32Å; H320-Q324 WeakPolarHBondContact O-CG 3.45Å; H320-Q324 PolarHBondContact O-N 3.47Å; I321-Q324 WeakPolarHBondContact O-CB 3.47Å; I321-Q324 PolarHBondContact O-N 3.04Å; I321-Q324 VanDerWaalsContact O-N 3.15Å; Q324-L328 VanDerWaalsContact O-CB 3.25Å; Q324-L328 WeakPolarHBondContact O-CB 3.44Å; Q324-L328 PolarHBondContact O-N 2.96Å
325Y95.4Very high90.5Very high0 Ų039 Ų390%019%0.192CC..Hα-helixtrans-59.1-49.4169.9-83.1-70000112.2L241 F245 F260 S264 L268 I321 L322 L323 I327 L328 F329L241-Y325 WeakPolarHBondContact CD1-OH 3.28Å; F245-Y325 AromaticContact CE1-CD1 3.91Å; F245-Y325 HydrophobicContact CE1-CD1 3.91Å; F245-Y325 HydrophobicContact CE1-CE1 4.17Å; F245-Y325 HydrophobicContact CE1-CG 4.12Å; F245-Y325 AromaticContact CZ-CD1 3.74Å; F245-Y325 HydrophobicContact CZ-CD1 3.74Å; F245-Y325 AromaticContact CZ-CD2 3.89Å; F245-Y325 HydrophobicContact CZ-CD2 3.89Å; F245-Y325 AromaticContact CZ-CE1 3.67Å; F245-Y325 HydrophobicContact CZ-CE1 3.67Å; F245-Y325 AromaticContact CZ-CE2 3.84Å; F245-Y325 HydrophobicContact CZ-CE2 3.84Å; F245-Y325 AromaticContact CZ-CG 3.84Å; F245-Y325 HydrophobicContact CZ-CG 3.84Å; F245-Y325 AromaticContact CZ-CZ 3.72Å; F260-Y325 HydrophobicContact CE2-CE1 4.31Å; F260-Y325 HydrophobicContact CZ-CD1 4.47Å; F260-Y325 HydrophobicContact CZ-CE1 4.08Å; S264-Y325 WeakPolarHBondContact CA-OH 3.18Å; S264-Y325 VanDerWaalsContact CB-OH 3.25Å; S264-Y325 WeakPolarHBondContact CB-OH 3.49Å; L268-Y325 HydrophobicContact CD2-CD2 4.38Å; L268-Y325 HydrophobicContact CD2-CE2 4.11Å; L268-Y325 HydrophobicContact CG-CE2 4.45Å; I321-Y325 HydrophobicContact CG2-CD2 4.09Å; I321-Y325 HydrophobicContact CG2-CE2 3.84Å; I321-Y325 VanDerWaalsContact O-CD2 3.32Å; I321-Y325 WeakPolarHBondContact O-CD2 3.28Å; I321-Y325 PolarHBondContact O-N 3.04Å; L322-Y325 PolarHBondContact O-N 3.12Å; L323-Y325 VanDerWaalsContact C-N 3.31Å; L323-Y325 PolarHBondContact O-N 3.34Å; Y325-I327 PolarHBondContact O-N 3.09Å; Y325-L328 PolarHBondContact O-N 3.42Å; Y325-F329 HydrophobicContact CD1-CE1 4.18Å; Y325-F329 HydrophobicContact CD1-CE2 4.24Å; Y325-F329 AromaticContact CD1-CZ 3.7Å; Y325-F329 HydrophobicContact CD1-CZ 3.7Å; Y325-F329 HydrophobicContact CG-CZ 4.46Å; Y325-F329 WeakPolarHBondContact O-CB 3.45Å; Y325-F329 VanDerWaalsContact O-CD2 3.29Å; Y325-F329 WeakPolarHBondContact O-CD2 3.45Å; Y325-F329 WeakPolarHBondContact O-CG 3.46Å; Y325-F329 PolarHBondContact O-N 3.35Å
326L95.5Very high90.1Very high4 Ų439 Ų392%0.02119%0.191CC..Hα-helixtrans-63.6-43-179.4-68.2177.3000112.7L322 L323 F329 Q330 T357 V360 Y361 L364 V378 L382L322-L326 WeakPolarHBondContact O-CG 3.17Å; L322-L326 PolarHBondContact O-N 3.39Å; L322-L326 VanDerWaalsContact O-N 3.12Å; L323-L326 PolarHBondContact O-N 3.11Å; L323-L326 VanDerWaalsContact O-N 3.17Å; L326-F329 PolarHBondContact O-N 3.03Å; L326-Q330 VanDerWaalsContact O-CB 3.3Å; L326-Q330 WeakPolarHBondContact O-CB 3.41Å; L326-Q330 PolarHBondContact O-N 2.89Å; L326-T357 HydrophobicContact CD2-CG2 3.94Å; L326-V360 HydrophobicContact CD1-CG1 4.1Å; L326-V360 HydrophobicContact CD2-CB 4.29Å; L326-V360 HydrophobicContact CD2-CG1 3.77Å; L326-V360 HydrophobicContact CG-CG1 3.69Å; L326-Y361 HydrophobicContact CD1-CE1 4.03Å; L326-Y361 HydrophobicContact CD2-CD2 4.26Å; L326-Y361 HydrophobicContact CD2-CE2 3.85Å; L326-L364 HydrophobicContact CD1-CD1 3.59Å; L326-V378 HydrophobicContact CD1-CG1 3.57Å; L326-L382 HydrophobicContact CB-CD1 4.08Å; L326-L382 HydrophobicContact CD1-CD1 4.34Å
327I94.8Very high89.3Confident85 Ų8541.6 Ų41.644%0.43620%0.198SC..Hα-helixtrans-63.4-41.7175.9-65.9164.1000110.5L323 Y325 Y331L323-I327 VanDerWaalsContact O-CG1 3.31Å; L323-I327 WeakPolarHBondContact O-CG1 3.48Å; L323-I327 PolarHBondContact O-N 2.71Å; Y325-I327 PolarHBondContact O-N 3.09Å; I327-Y331 VanDerWaalsContact O-CB 3.29Å; I327-Y331 WeakPolarHBondContact O-CB 3.4Å; I327-Y331 PolarHBondContact O-N 3.28Å
328L94.2Very high88.4Confident8 Ų846.4 Ų46.44%0.04222%0.219CC..Hα-helixtrans-63.1-45.9175.2177.564.5000111.5F245 P248 F260 Q324 Y325 Y331 L332F245-L328 HydrophobicContact CD1-CB 4.05Å; F245-L328 HydrophobicContact CD1-CD2 3.69Å; F245-L328 HydrophobicContact CD1-CG 4.41Å; F245-L328 HydrophobicContact CE1-CB 4.17Å; F245-L328 HydrophobicContact CE1-CD2 3.65Å; P248-L328 HydrophobicContact CB-CD1 3.57Å; F260-L328 HydrophobicContact CE1-CD2 4.45Å; F260-L328 HydrophobicContact CE2-CD2 3.79Å; F260-L328 HydrophobicContact CZ-CD2 3.54Å; Q324-L328 VanDerWaalsContact O-CB 3.25Å; Q324-L328 WeakPolarHBondContact O-CB 3.44Å; Q324-L328 PolarHBondContact O-N 2.96Å; Y325-L328 PolarHBondContact O-N 3.42Å; L328-Y331 PolarHBondContact O-N 3.02Å; L328-L332 HydrophobicContact CD1-CD1 4.06Å; L328-L332 HydrophobicContact CD1-CG 4.09Å; L328-L332 HydrophobicContact CG-CD1 3.95Å; L328-L332 HydrophobicContact CG-CG 4.36Å; L328-L332 WeakPolarHBondContact O-CB 3.19Å; L328-L332 VanDerWaalsContact O-CG 3.25Å; L328-L332 WeakPolarHBondContact O-CG 3.44Å; L328-L332 PolarHBondContact O-N 3.44Å
329F93.8Very high87.8Confident4 Ų448 Ų482%0.01823%0.227CC..Hα-helixtrans-65.5-43-179.6-65.5-21.8000112.3F260 Y325 L326 L332 K333 W352 I353 T356 T357 V360F260-F329 HydrophobicContact CE1-CE1 4.47Å; F260-F329 HydrophobicContact CZ-CE1 4.36Å; Y325-F329 HydrophobicContact CD1-CE1 4.18Å; Y325-F329 HydrophobicContact CD1-CE2 4.24Å; Y325-F329 AromaticContact CD1-CZ 3.7Å; Y325-F329 HydrophobicContact CD1-CZ 3.7Å; Y325-F329 HydrophobicContact CG-CZ 4.46Å; Y325-F329 WeakPolarHBondContact O-CB 3.45Å; Y325-F329 VanDerWaalsContact O-CD2 3.29Å; Y325-F329 WeakPolarHBondContact O-CD2 3.45Å; Y325-F329 WeakPolarHBondContact O-CG 3.46Å; Y325-F329 PolarHBondContact O-N 3.35Å; L326-F329 PolarHBondContact O-N 3.03Å; F329-L332 PolarHBondContact O-N 3.44Å; F329-K333 PolarHBondContact O-N 3.39Å; F329-W352 HydrophobicContact CE1-CH2 4.44Å; F329-W352 AromaticContact CE1-CZ3 3.94Å; F329-W352 HydrophobicContact CE1-CZ3 3.94Å; F329-W352 HydrophobicContact CZ-CH2 4.42Å; F329-W352 HydrophobicContact CZ-CZ3 4.2Å; F329-I353 HydrophobicContact CB-CG2 3.73Å; F329-I353 HydrophobicContact CD1-CG1 4.26Å; F329-I353 HydrophobicContact CD1-CG2 3.99Å; F329-I353 HydrophobicContact CD2-CG2 4.41Å; F329-I353 HydrophobicContact CG-CG2 3.8Å; F329-T356 WeakPolarHBondContact CZ-OG1 3.46Å; F329-T357 VanDerWaalsContact CD2-OG1 3.23Å; F329-T357 WeakPolarHBondContact CD2-OG1 3.36Å; F329-V360 HydrophobicContact CE2-CG2 4.49Å
330Q91.9Very high86.9Confident40 Ų4049 Ų4919%0.18724%0.238CC..Hα-helixtrans-65.5-41.3174.8-176.3-111.929.200111.1L326 G334 L382 E385 E386L326-Q330 VanDerWaalsContact O-CB 3.3Å; L326-Q330 WeakPolarHBondContact O-CB 3.41Å; L326-Q330 PolarHBondContact O-N 2.89Å; Q330-G334 WeakPolarHBondContact O-CA 3.32Å; Q330-G334 PolarHBondContact O-N 3.17Å; Q330-L382 HydrophobicContact CB-CD2 4.19Å; Q330-L382 HydrophobicContact CG-CD2 4.23Å; Q330-L382 PolarHBondContact NE2-O 2.97Å; Q330-E385 VanDerWaalsContact NE2-CB 3.29Å; Q330-E385 PolarHBondContact NE2-OE2 2.95Å; Q330-E386 HydrophobicContact CG-CG 4.49Å
331Y91.1Very high85.8Confident42 Ų4249.5 Ų49.517%0.16525%0.252CS..Hα-helixtrans-61.2-45.4171171.2-98000112.6F181 P248 I327 L328 K333 G334 V336 K339F181-Y331 HydrophobicContact CZ-CE1 4.2Å; F181-Y331 AromaticContact CZ-CE2 3.8Å; F181-Y331 HydrophobicContact CZ-CE2 3.8Å; F181-Y331 AromaticContact CZ-CZ 3.58Å; P248-Y331 HydrophobicContact CB-CD1 3.75Å; P248-Y331 HydrophobicContact CB-CE1 3.68Å; P248-Y331 HydrophobicContact CG-CD1 3.97Å; P248-Y331 HydrophobicContact CG-CE1 3.68Å; I327-Y331 VanDerWaalsContact O-CB 3.29Å; I327-Y331 WeakPolarHBondContact O-CB 3.4Å; I327-Y331 PolarHBondContact O-N 3.28Å; L328-Y331 PolarHBondContact O-N 3.02Å; Y331-K333 PolarHBondContact O-N 2.86Å; Y331-G334 PolarHBondContact O-N 2.85Å; Y331-V336 HydrophobicContact CE2-CG2 4.45Å; Y331-K339 VanDerWaalsContact CE2-CE 3.48Å; Y331-K339 PolarHBondContact O-NZ 2.66Å; Y331-K339 WeakPolarHBondContact OH-CE 3.26Å
332L89Confident84.9Confident6 Ų655.4 Ų55.43%0.03128%0.284CS..Hα-helixtrans-64.1-40.2-177.3-77.4175.4000111.9C251 Y252 W257 L328 F329 L345 I353C251-L332 HydrophobicContact CB-CD1 4.33Å; C251-L332 HydrophobicContact CB-CD2 4.01Å; Y252-L332 HydrophobicContact CE1-CD2 4.45Å; Y252-L332 HydrophobicContact CE2-CD2 3.99Å; W257-L332 HydrophobicContact CH2-CD1 4.48Å; W257-L332 HydrophobicContact CZ3-CD1 4.07Å; L328-L332 HydrophobicContact CD1-CD1 4.06Å; L328-L332 HydrophobicContact CD1-CG 4.09Å; L328-L332 HydrophobicContact CG-CD1 3.95Å; L328-L332 HydrophobicContact CG-CG 4.36Å; L328-L332 WeakPolarHBondContact O-CB 3.19Å; L328-L332 VanDerWaalsContact O-CG 3.25Å; L328-L332 WeakPolarHBondContact O-CG 3.44Å; L328-L332 PolarHBondContact O-N 3.44Å; F329-L332 PolarHBondContact O-N 3.44Å; L332-L345 HydrophobicContact CB-CD1 4.22Å; L332-I353 HydrophobicContact CB-CD1 4.35Å; L332-I353 HydrophobicContact CD1-CD1 4.3Å
333K86.1Confident84.3Confident99 Ų9959.6 Ų59.643%0.4330%0.3SS..Hα-helixtrans-73.8-34.5173.6-73.4-171.1163-155.60113.8F329 Y331 I353 E354F329-K333 PolarHBondContact O-N 3.39Å; Y331-K333 PolarHBondContact O-N 2.86Å; K333-I353 HydrophobicContact CD-CG2 4.39Å; K333-I353 HydrophobicContact CG-CG2 4.47Å; K333-E354 IonicContact NZ-OE1 2.8Å; K333-E354 PolarHBondContact NZ-OE1 3.03Å
334G83.6Confident83.8Confident21 Ų2162.6 Ų62.622%0.21632%0.32CS..SBendtrans-66.8134.3-172.700000113.8Q330 Y331 K339Q330-G334 WeakPolarHBondContact O-CA 3.32Å; Q330-G334 PolarHBondContact O-N 3.17Å; Y331-G334 PolarHBondContact O-N 2.85Å; G334-K339 PolarHBondContact O-NZ 3.37Å
335Q75.8Confident83.4Confident170 Ų17062.6 Ų62.679%0.79432%0.321SS*.  trans-76.1132.7169.6-64.8-171.2-0.600110.2N389 N393Q335-N389 PolarHBondContact O-ND2 3.44Å; Q335-N393 PolarHBondContact O-ND2 3.05Å
336V78.3Confident83.1Confident21 Ų2166.3 Ų66.313%0.12734%0.344CS..  trans-136.3126.5179.8-178.60000107.9Y331 F338 K339Y331-V336 HydrophobicContact CE2-CG2 4.45Å; V336-F338 PolarHBondContact O-N 3.16Å; V336-K339 HydrophobicContact CB-CD 4.01Å; V336-K339 HydrophobicContact CB-CG 4Å; V336-K339 HydrophobicContact CG2-CD 4.29Å; V336-K339 WeakPolarHBondContact O-CB 3.37Å; V336-K339 PolarHBondContact O-N 3.35Å
337K70.8Confident82.9Confident132 Ų13272.2 Ų72.257%0.57438%0.375SS*.THydrogen-bonded Turntrans-55.6-23.8-172.7-176.4167.8-173.91700115.6N393K337-N393 HydrophobicContact CB-CB 4.42Å; K337-N393 WeakPolarHBondContact CB-OD1 3.33Å; K337-N393 WeakPolarHBondContact CD-O 3.13Å; K337-N393 PolarHBondContact N-OD1 3.16Å; K337-N393 PolarHBondContact NZ-O 2.86Å
338F69.3Low82.7Confident115 Ų11575.8 Ų75.850%0.50439%0.39SS..THydrogen-bonded Turntrans-104.66.1-179.2-62.8-82.7000113.9L177 V336L177-F338 HydrophobicContact CB-CE2 4.46Å; L177-F338 WeakPolarHBondContact O-CD2 3.41Å; L177-F338 WeakPolarHBondContact O-CE2 3.32Å; V336-F338 PolarHBondContact O-N 3.16Å
339K75.4Confident82.5Confident41 Ų4176.9 Ų76.918%0.17840%0.395CS..SBendtrans-68.9145167.5-82.9174.5177.9-171.30110Y252 Y331 G334 V336 Y343Y252-K339 PolarHBondContact OH-NZ 2.58Å; Y331-K339 VanDerWaalsContact CE2-CE 3.48Å; Y331-K339 PolarHBondContact O-NZ 2.66Å; Y331-K339 WeakPolarHBondContact OH-CE 3.26Å; G334-K339 PolarHBondContact O-NZ 3.37Å; V336-K339 HydrophobicContact CB-CD 4.01Å; V336-K339 HydrophobicContact CB-CG 4Å; V336-K339 HydrophobicContact CG2-CD 4.29Å; V336-K339 WeakPolarHBondContact O-CB 3.37Å; V336-K339 PolarHBondContact O-N 3.35Å; K339-Y343 HydrophobicContact CB-CD2 4.35Å; K339-Y343 HydrophobicContact CG-CD2 4.47Å
340S72.4Confident82.5Confident49 Ų4978.3 Ų78.334%0.34341%0.406SS..  trans-65.4144.3170.1-176.90000110.6N342 Y343S340-N342 PolarHBondContact O-N 2.99Å; S340-N342 PolarHBondContact OG-N 2.91Å; S340-Y343 WeakPolarHBondContact O-CB 3.41Å; S340-Y343 PolarHBondContact O-N 3.06Å
341S69.4Low82.6Confident106 Ų10681.1 Ų81.174%0.74142%0.422SS*.THydrogen-bonded Turntrans-56.4-18.8171.353.10000113.7Y343S341-Y343 VanDerWaalsContact C-N 3.33Å
342N73.2Confident82.8Confident128 Ų12881 Ų8168%0.68442%0.421SS*.THydrogen-bonded Turntrans-82.9-8.9-179.8-59.1-10.7000113S340 V344S340-N342 PolarHBondContact O-N 2.99Å; S340-N342 PolarHBondContact OG-N 2.91Å; N342-V344 VanDerWaalsContact C-N 3.26Å; N342-V344 PolarHBondContact O-N 3.01Å; N342-V344 VanDerWaalsContact O-N 3.12Å
343Y81.8Confident83.1Confident88 Ų8880.8 Ų80.835%0.34542%0.419SS..  trans-89.159.4-178.2-63.3-25.1000112V249 Y252 K339 S340 S341V249-Y343 HydrophobicContact CG1-CE1 4.03Å; V249-Y343 HydrophobicContact CG1-CE2 4.23Å; V249-Y343 VanDerWaalsContact CG1-OH 3.23Å; V249-Y343 WeakPolarHBondContact CG1-OH 3.4Å; Y252-Y343 HydrophobicContact CD1-CD1 4.37Å; Y252-Y343 HydrophobicContact CD1-CG 4.45Å; Y252-Y343 AromaticContact CD2-CD1 3.78Å; Y252-Y343 HydrophobicContact CD2-CD1 3.78Å; Y252-Y343 HydrophobicContact CD2-CE1 4.39Å; Y252-Y343 AromaticContact CD2-CG 3.87Å; Y252-Y343 HydrophobicContact CD2-CG 3.87Å; Y252-Y343 VanDerWaalsContact CE1-C 3.48Å; Y252-Y343 VanDerWaalsContact CE1-O 3.31Å; Y252-Y343 WeakPolarHBondContact CE1-O 3.43Å; Y252-Y343 HydrophobicContact CE2-CD1 4.38Å; Y252-Y343 HydrophobicContact CE2-CD2 4.43Å; Y252-Y343 AromaticContact CE2-CG 4Å; Y252-Y343 HydrophobicContact CE2-CG 4Å; Y252-Y343 AromaticContact CG-CD1 3.78Å; Y252-Y343 HydrophobicContact CG-CD1 3.78Å; Y252-Y343 HydrophobicContact CG-CG 4.12Å; K339-Y343 HydrophobicContact CB-CD2 4.35Å; K339-Y343 HydrophobicContact CG-CD2 4.47Å; S340-Y343 WeakPolarHBondContact O-CB 3.41Å; S340-Y343 PolarHBondContact O-N 3.06Å; S341-Y343 VanDerWaalsContact C-N 3.33Å
344V83.6Confident83.4Confident112 Ų11279.6 Ų79.668%0.67942%0.415SS*.PPolyproline II helixtrans-95.8148173.3-65.50000110.9N342N342-V344 VanDerWaalsContact C-N 3.26Å; N342-V344 PolarHBondContact O-N 3.01Å; N342-V344 VanDerWaalsContact O-N 3.12Å
345L86Confident84Confident43 Ų4383.1 Ų83.123%0.22543%0.43CS..PPolyproline II helixtrans-101.1152.1171.4-62.2173.7000109.6Y252 L332 I353Y252-L345 HydrophobicContact CD1-CD2 4.11Å; Y252-L345 HydrophobicContact CE1-CD2 3.79Å; Y252-L345 HydrophobicContact CE1-CG 4.17Å; L332-L345 HydrophobicContact CB-CD1 4.22Å; L345-I353 HydrophobicContact CD1-CD1 3.9Å
346T89.5Confident84.9Confident78 Ų7875.8 Ų75.848%0.47940%0.396SS..PPolyproline II helixtrans-82.1151.2171.4-42.10000109.6E348 Q349 S350T346-E348 PolarHBondContact O-N 3.24Å; T346-Q349 WeakPolarHBondContact O-CA 3.38Å; T346-Q349 WeakPolarHBondContact O-CB 3.47Å; T346-Q349 PolarHBondContact O-N 3.28Å; T346-Q349 PolarHBondContact OG1-OE1 3.25Å; T346-S350 PolarHBondContact O-N 3.05Å
347D91.1Very high85.8Confident128 Ų12876.3 Ų76.368%0.68440%0.399SS*.Hα-helixtrans-58.7-33.7178.7-58.4-41.6000113.2Q349 S350 L351D347-Q349 VanDerWaalsContact C-N 3.28Å; D347-Q349 PolarHBondContact O-N 3.05Å; D347-S350 WeakPolarHBondContact CA-OG 3.4Å; D347-S350 PolarHBondContact O-N 3.14Å; D347-S350 PolarHBondContact O-OG 3.46Å; D347-L351 WeakPolarHBondContact O-CB 3.49Å; D347-L351 WeakPolarHBondContact O-CG 3.42Å; D347-L351 PolarHBondContact O-N 2.85Å
348E90.7Very high86.9Confident160 Ų16075.2 Ų75.275%0.74840%0.395SS*.Hα-helixtrans-61.8-35.9171.7-62.9-179.5172.500112.4T346 W352T346-E348 PolarHBondContact O-N 3.24Å; E348-W352 WeakPolarHBondContact O-CB 3.42Å; E348-W352 PolarHBondContact O-N 3.34Å; E348-W352 VanDerWaalsContact O-N 3.14Å
349Q90.7Very high88.1Confident32 Ų3270.2 Ų70.215%0.1537%0.374CS..Hα-helixtrans-75.8-38.3179.4-58.4175.6-67.800111.1W257 T346 D347 W352 I353W257-Q349 VanDerWaalsContact CE2-NE2 3.35Å; W257-Q349 VanDerWaalsContact CG-NE2 3.31Å; W257-Q349 HydrophobicContact CZ2-CB 3.9Å; W257-Q349 HydrophobicContact CZ2-CG 4.11Å; W257-Q349 VanDerWaalsContact NE1-NE2 3.17Å; T346-Q349 WeakPolarHBondContact O-CA 3.38Å; T346-Q349 WeakPolarHBondContact O-CB 3.47Å; T346-Q349 PolarHBondContact O-N 3.28Å; T346-Q349 PolarHBondContact OG1-OE1 3.25Å; D347-Q349 VanDerWaalsContact C-N 3.28Å; D347-Q349 PolarHBondContact O-N 3.05Å; Q349-W352 PolarHBondContact O-N 3.38Å; Q349-I353 VanDerWaalsContact O-CG1 3.25Å; Q349-I353 WeakPolarHBondContact O-CG1 3.49Å; Q349-I353 PolarHBondContact O-N 3.41Å
350S92Very high89Confident33 Ų3368.3 Ų68.323%0.23137%0.366CS..Hα-helixtrans-67.8-39.9177.662.70000111.9T346 D347 I353 E354T346-S350 PolarHBondContact O-N 3.05Å; D347-S350 WeakPolarHBondContact CA-OG 3.4Å; D347-S350 PolarHBondContact O-N 3.14Å; D347-S350 PolarHBondContact O-OG 3.46Å; S350-I353 PolarHBondContact O-N 3.48Å; S350-E354 WeakPolarHBondContact O-CG 3.37Å; S350-E354 PolarHBondContact O-N 3.4Å
351L94.4Very high90.1Very high100 Ų10068.2 Ų68.252%0.52436%0.358SS..Hα-helixtrans-62.3-45.6172.2-71.6170.7000112.2D347 I353 E354 D355D347-L351 WeakPolarHBondContact O-CB 3.49Å; D347-L351 WeakPolarHBondContact O-CG 3.42Å; D347-L351 PolarHBondContact O-N 2.85Å; L351-I353 VanDerWaalsContact C-N 3.32Å; L351-I353 PolarHBondContact O-N 3.24Å; L351-E354 WeakPolarHBondContact O-CB 3.45Å; L351-E354 PolarHBondContact O-N 3.16Å; L351-D355 PolarHBondContact O-N 3.31Å
352W95.1Very high91.1Very high40 Ų4068.6 Ų68.615%0.15235%0.349CS..Hα-helixtrans-60.9-39.9175.3179.394.3000112.4W257 F260 L261 S264 E265 F329 E348 Q349 E354 D355 T356W257-W352 HydrophobicContact CH2-CE3 4.12Å; W257-W352 AromaticContact CH2-CZ3 3.97Å; W257-W352 HydrophobicContact CH2-CZ3 3.97Å; W257-W352 AromaticContact CZ2-CE3 3.89Å; W257-W352 HydrophobicContact CZ2-CE3 3.89Å; W257-W352 HydrophobicContact CZ2-CZ3 4.11Å; F260-W352 HydrophobicContact CD1-CH2 4.33Å; F260-W352 AromaticContact CE1-CH2 3.77Å; F260-W352 HydrophobicContact CE1-CH2 3.77Å; F260-W352 AromaticContact CE1-CZ3 3.9Å; F260-W352 HydrophobicContact CE1-CZ3 3.9Å; L261-W352 HydrophobicContact CD2-CD2 3.34Å; L261-W352 HydrophobicContact CD2-CE3 3.68Å; L261-W352 HydrophobicContact CD2-CG 3.88Å; L261-W352 HydrophobicContact CD2-CH2 3.82Å; L261-W352 HydrophobicContact CD2-CZ2 3.46Å; L261-W352 VanDerWaalsContact CD2-CZ2 3.46Å; L261-W352 HydrophobicContact CD2-CZ3 3.92Å; S264-W352 WeakPolarHBondContact OG-CH2 3.32Å; S264-W352 WeakPolarHBondContact OG-CZ2 3.46Å; E265-W352 HydrophobicContact CG-CZ2 4.31Å; E265-W352 PolarHBondContact OE1-NE1 3.11Å; F329-W352 HydrophobicContact CE1-CH2 4.44Å; F329-W352 AromaticContact CE1-CZ3 3.94Å; F329-W352 HydrophobicContact CE1-CZ3 3.94Å; F329-W352 HydrophobicContact CZ-CH2 4.42Å; F329-W352 HydrophobicContact CZ-CZ3 4.2Å; E348-W352 WeakPolarHBondContact O-CB 3.42Å; E348-W352 PolarHBondContact O-N 3.34Å; E348-W352 VanDerWaalsContact O-N 3.14Å; Q349-W352 PolarHBondContact O-N 3.38Å; W352-E354 VanDerWaalsContact C-N 3.28Å; W352-E354 PolarHBondContact O-N 3.28Å; W352-D355 PolarHBondContact O-N 2.94Å; W352-T356 HydrophobicContact CD2-CG2 3.93Å; W352-T356 HydrophobicContact CE3-CG2 4.32Å; W352-T356 HydrophobicContact CH2-CG2 4.05Å; W352-T356 HydrophobicContact CZ2-CG2 3.63Å; W352-T356 HydrophobicContact CZ3-CG2 4.37Å; W352-T356 WeakPolarHBondContact O-CB 3.47Å; W352-T356 WeakPolarHBondContact O-CG2 3.38Å; W352-T356 PolarHBondContact O-N 2.96Å; W352-T356 PolarHBondContact O-OG1 3.11Å
353I95.1Very high92Very high0 Ų063.1 Ų63.10%032%0.319CS..Hα-helixtrans-61.4-37.8173.7-70.4167.4000110.6W257 F329 L332 K333 L345 Q349 S350 L351 T356 T357W257-I353 HydrophobicContact CH2-CD1 4.06Å; W257-I353 HydrophobicContact CH2-CG1 4.12Å; F329-I353 HydrophobicContact CB-CG2 3.73Å; F329-I353 HydrophobicContact CD1-CG1 4.26Å; F329-I353 HydrophobicContact CD1-CG2 3.99Å; F329-I353 HydrophobicContact CD2-CG2 4.41Å; F329-I353 HydrophobicContact CG-CG2 3.8Å; L332-I353 HydrophobicContact CB-CD1 4.35Å; L332-I353 HydrophobicContact CD1-CD1 4.3Å; K333-I353 HydrophobicContact CD-CG2 4.39Å; K333-I353 HydrophobicContact CG-CG2 4.47Å; L345-I353 HydrophobicContact CD1-CD1 3.9Å; Q349-I353 VanDerWaalsContact O-CG1 3.25Å; Q349-I353 WeakPolarHBondContact O-CG1 3.49Å; Q349-I353 PolarHBondContact O-N 3.41Å; S350-I353 PolarHBondContact O-N 3.48Å; L351-I353 VanDerWaalsContact C-N 3.32Å; L351-I353 PolarHBondContact O-N 3.24Å; I353-T356 WeakPolarHBondContact CA-OG1 3.4Å; I353-T356 PolarHBondContact O-OG1 2.96Å; I353-T357 WeakPolarHBondContact O-CB 3.38Å; I353-T357 PolarHBondContact O-N 3.12Å; I353-T357 PolarHBondContact O-OG1 2.85Å
354E94.4Very high92.4Very high74 Ų7458.9 Ų58.935%0.34630%0.302SS..Hα-helixtrans-68.1-45.1178.6-75.4177.6-168.800113.3K333 S350 L351 W352 T357 K358K333-E354 IonicContact NZ-OE1 2.8Å; K333-E354 PolarHBondContact NZ-OE1 3.03Å; S350-E354 WeakPolarHBondContact O-CG 3.37Å; S350-E354 PolarHBondContact O-N 3.4Å; L351-E354 WeakPolarHBondContact O-CB 3.45Å; L351-E354 PolarHBondContact O-N 3.16Å; W352-E354 VanDerWaalsContact C-N 3.28Å; W352-E354 PolarHBondContact O-N 3.28Å; E354-T357 PolarHBondContact O-N 2.63Å; E354-K358 VanDerWaalsContact O-CG 3.26Å; E354-K358 WeakPolarHBondContact O-CG 3.49Å; E354-K358 PolarHBondContact O-N 3.36Å
355D95.8Very high92.6Very high96 Ų9656 Ų5651%0.51329%0.287SS..Hα-helixtrans-71.6-36.3-179.2-70.5-20.7000112L351 W352 K358 S359L351-D355 PolarHBondContact O-N 3.31Å; W352-D355 PolarHBondContact O-N 2.94Å; D355-K358 IonicContact OD1-NZ 2.89Å; D355-K358 PolarHBondContact OD1-NZ 3.21Å; D355-S359 WeakPolarHBondContact O-CB 3.4Å; D355-S359 PolarHBondContact O-N 3.29Å
356T94.5Very high92.6Very high15 Ų1559 Ų599%0.09230%0.3CS..Hα-helixtrans-68.2-38.5170.152.60000112.3F329 W352 I353 S359 V360F329-T356 WeakPolarHBondContact CZ-OG1 3.46Å; W352-T356 HydrophobicContact CD2-CG2 3.93Å; W352-T356 HydrophobicContact CE3-CG2 4.32Å; W352-T356 HydrophobicContact CH2-CG2 4.05Å; W352-T356 HydrophobicContact CZ2-CG2 3.63Å; W352-T356 HydrophobicContact CZ3-CG2 4.37Å; W352-T356 WeakPolarHBondContact O-CB 3.47Å; W352-T356 WeakPolarHBondContact O-CG2 3.38Å; W352-T356 PolarHBondContact O-N 2.96Å; W352-T356 PolarHBondContact O-OG1 3.11Å; I353-T356 WeakPolarHBondContact CA-OG1 3.4Å; I353-T356 PolarHBondContact O-OG1 2.96Å; T356-S359 CarbonylContact O-C 3.6Å; T356-S359 WeakPolarHBondContact O-CB 3.45Å; T356-S359 PolarHBondContact O-N 3.24Å; T356-V360 WeakPolarHBondContact O-CG2 3.35Å; T356-V360 PolarHBondContact O-N 3.33Å
357T96.1Very high92.2Very high32 Ų3255.6 Ų55.620%0.19628%0.279CS..Hα-helixtrans-59.4-48.2173.7-64.10000111.4L326 F329 I353 E354 S359 V360 Y361L326-T357 HydrophobicContact CD2-CG2 3.94Å; F329-T357 VanDerWaalsContact CD2-OG1 3.23Å; F329-T357 WeakPolarHBondContact CD2-OG1 3.36Å; I353-T357 WeakPolarHBondContact O-CB 3.38Å; I353-T357 PolarHBondContact O-N 3.12Å; I353-T357 PolarHBondContact O-OG1 2.85Å; E354-T357 PolarHBondContact O-N 2.63Å; T357-S359 VanDerWaalsContact C-N 3.28Å; T357-S359 PolarHBondContact O-N 2.86Å; T357-V360 PolarHBondContact O-N 3.47Å; T357-V360 VanDerWaalsContact O-N 3.12Å; T357-Y361 HydrophobicContact CG2-CD2 3.83Å; T357-Y361 HydrophobicContact CG2-CE2 3.67Å; T357-Y361 WeakPolarHBondContact O-CD2 3.21Å; T357-Y361 PolarHBondContact O-N 3.03Å
358K95.1Very high91.5Very high109 Ų10950.8 Ų50.847%0.47426%0.255SS..Hα-helixtrans-56.6-44.3174.2-67162.3-155.91590111E354 D355 V360 Y361 Q362E354-K358 VanDerWaalsContact O-CG 3.26Å; E354-K358 WeakPolarHBondContact O-CG 3.49Å; E354-K358 PolarHBondContact O-N 3.36Å; D355-K358 IonicContact OD1-NZ 2.89Å; D355-K358 PolarHBondContact OD1-NZ 3.21Å; K358-V360 VanDerWaalsContact C-N 3.34Å; K358-V360 PolarHBondContact O-N 2.9Å; K358-Y361 PolarHBondContact O-N 2.98Å; K358-Q362 WeakPolarHBondContact O-CG 3.38Å; K358-Q362 PolarHBondContact O-N 3.37Å
359S93.8Very high90.9Very high11 Ų1145.2 Ų45.28%0.07723%0.232CC..Hα-helixtrans-65.5-32.2177.3-176.10000113.7K272 D355 T356 T357 L363K272-S359 WeakPolarHBondContact CE-OG 3.27Å; K272-S359 PolarHBondContact NZ-OG 3.48Å; D355-S359 WeakPolarHBondContact O-CB 3.4Å; D355-S359 PolarHBondContact O-N 3.29Å; T356-S359 CarbonylContact O-C 3.6Å; T356-S359 WeakPolarHBondContact O-CB 3.45Å; T356-S359 PolarHBondContact O-N 3.24Å; T357-S359 VanDerWaalsContact C-N 3.28Å; T357-S359 PolarHBondContact O-N 2.86Å; S359-L363 WeakPolarHBondContact O-CG 3.32Å; S359-L363 PolarHBondContact O-N 3.11Å; S359-L363 VanDerWaalsContact O-N 3.14Å
360V95.2Very high90.5Very high0 Ų047.3 Ų47.30%025%0.245CC..Hα-helixtrans-72.7-40176.5165.80000110.6L268 L322 L326 F329 T356 T357 K358 Q362 L363 L364L268-V360 HydrophobicContact CD1-CG2 4.47Å; L268-V360 HydrophobicContact CD2-CG2 4.13Å; L322-V360 HydrophobicContact CB-CG1 4.05Å; L322-V360 HydrophobicContact CD2-CB 4.45Å; L322-V360 HydrophobicContact CD2-CG1 3.98Å; L322-V360 HydrophobicContact CD2-CG2 4.09Å; L326-V360 HydrophobicContact CD1-CG1 4.1Å; L326-V360 HydrophobicContact CD2-CB 4.29Å; L326-V360 HydrophobicContact CD2-CG1 3.77Å; L326-V360 HydrophobicContact CG-CG1 3.69Å; F329-V360 HydrophobicContact CE2-CG2 4.49Å; T356-V360 WeakPolarHBondContact O-CG2 3.35Å; T356-V360 PolarHBondContact O-N 3.33Å; T357-V360 PolarHBondContact O-N 3.47Å; T357-V360 VanDerWaalsContact O-N 3.12Å; K358-V360 VanDerWaalsContact C-N 3.34Å; K358-V360 PolarHBondContact O-N 2.9Å; V360-Q362 PolarHBondContact O-N 3.04Å; V360-L363 PolarHBondContact O-N 2.86Å; V360-L364 HydrophobicContact CG1-CD1 4.28Å; V360-L364 WeakPolarHBondContact O-CG 3.14Å; V360-L364 PolarHBondContact O-N 2.96Å
361Y94.2Very high90.1Very high48 Ų4846.1 Ų46.119%0.18824%0.237CC..Hα-helixtrans-63.7-37.9172.9-82.2-65.7000113.2L326 T357 K358 L364 S365 V378 E379 L382L326-Y361 HydrophobicContact CD1-CE1 4.03Å; L326-Y361 HydrophobicContact CD2-CD2 4.26Å; L326-Y361 HydrophobicContact CD2-CE2 3.85Å; T357-Y361 HydrophobicContact CG2-CD2 3.83Å; T357-Y361 HydrophobicContact CG2-CE2 3.67Å; T357-Y361 WeakPolarHBondContact O-CD2 3.21Å; T357-Y361 PolarHBondContact O-N 3.03Å; K358-Y361 PolarHBondContact O-N 2.98Å; Y361-L364 PolarHBondContact O-N 3.46Å; Y361-S365 PolarHBondContact O-N 2.9Å; Y361-V378 HydrophobicContact CE1-CG1 4.39Å; Y361-E379 HydrophobicContact CD1-CG 4.4Å; Y361-E379 HydrophobicContact CE1-CG 3.58Å; Y361-L382 VanDerWaalsContact OH-CD1 3.31Å; Y361-L382 WeakPolarHBondContact OH-CD1 3.3Å
362Q91.8Very high89.8Confident114 Ų11447.6 Ų47.653%0.53324%0.241SC..Hα-helixtrans-58.6-53.2171.1-73.1169.2-6.900110.7K358 V360 L364 S365 E366K358-Q362 WeakPolarHBondContact O-CG 3.38Å; K358-Q362 PolarHBondContact O-N 3.37Å; V360-Q362 PolarHBondContact O-N 3.04Å; Q362-L364 VanDerWaalsContact C-N 3.33Å; Q362-L364 PolarHBondContact O-N 3.1Å; Q362-S365 PolarHBondContact O-N 3.06Å; Q362-S365 PolarHBondContact O-OG 3.49Å; Q362-E366 WeakPolarHBondContact O-CG 3.24Å; Q362-E366 PolarHBondContact O-N 3.24Å
363L90.6Very high89.6Confident12 Ų1254.1 Ų54.16%0.06327%0.266CS..Hα-helixtrans-58.2-40.6176.6-73.1172.1000112.8L268 F271 K272 L322 S359 V360 E366 N367L268-L363 HydrophobicContact CD2-CD1 4.1Å; F271-L363 HydrophobicContact CB-CD1 4.16Å; K272-L363 HydrophobicContact CG-CD1 4.31Å; K272-L363 HydrophobicContact CG-CD2 3.87Å; K272-L363 HydrophobicContact CG-CG 4.41Å; L322-L363 HydrophobicContact CD1-CB 3.97Å; L322-L363 HydrophobicContact CD2-CB 4.36Å; L322-L363 HydrophobicContact CD2-CD1 4.11Å; S359-L363 WeakPolarHBondContact O-CG 3.32Å; S359-L363 PolarHBondContact O-N 3.11Å; S359-L363 VanDerWaalsContact O-N 3.14Å; V360-L363 PolarHBondContact O-N 2.86Å; L363-E366 PolarHBondContact O-N 3.29Å; L363-N367 PolarHBondContact O-N 3.04Å; L363-N367 PolarHBondContact O-ND2 3.42Å
364L90.3Very high89.4Confident0 Ų056 Ų560%027%0.274CS..Hα-helixtrans-63.8-38.7174.9-75.9175.5000112.6R319 L322 L326 V360 Y361 Q362 E366 N367 G371 F374 S375R319-L364 HydrophobicContact CG-CD2 4.24Å; L322-L364 HydrophobicContact CB-CD1 4.49Å; L322-L364 HydrophobicContact CB-CD2 3.73Å; L322-L364 HydrophobicContact CB-CG 4.04Å; L322-L364 HydrophobicContact CD1-CD2 3.79Å; L322-L364 HydrophobicContact CD1-CG 4.09Å; L322-L364 HydrophobicContact CG-CD2 4.43Å; L326-L364 HydrophobicContact CD1-CD1 3.59Å; V360-L364 HydrophobicContact CG1-CD1 4.28Å; V360-L364 WeakPolarHBondContact O-CG 3.14Å; V360-L364 PolarHBondContact O-N 2.96Å; Y361-L364 PolarHBondContact O-N 3.46Å; Q362-L364 VanDerWaalsContact C-N 3.33Å; Q362-L364 PolarHBondContact O-N 3.1Å; L364-E366 VanDerWaalsContact C-N 3.3Å; L364-E366 PolarHBondContact O-N 3.17Å; L364-N367 PolarHBondContact O-N 3.38Å; L364-G371 WeakPolarHBondContact O-CA 3.34Å; L364-F374 HydrophobicContact CD2-CD1 4.21Å; L364-F374 HydrophobicContact CD2-CE1 3.99Å; L364-S375 WeakPolarHBondContact CB-OG 3.35Å
365S88.8Confident89.3Confident51 Ų5152.9 Ų52.936%0.35726%0.261SS..Hα-helixtrans-67.1-31.4175.673.40000112.9Y361 Q362 S375Y361-S365 PolarHBondContact O-N 2.9Å; Q362-S365 PolarHBondContact O-N 3.06Å; Q362-S365 PolarHBondContact O-OG 3.49Å; S365-S375 PolarHBondContact N-OG 2.82Å
366E86.6Confident89.1Confident105 Ų10554.6 Ų54.649%0.49126%0.263SS..Hα-helixtrans-78.1-18177-70.8-177.4-157.100113.9Q362 L363 L364 P368Q362-E366 WeakPolarHBondContact O-CG 3.24Å; Q362-E366 PolarHBondContact O-N 3.24Å; L363-E366 PolarHBondContact O-N 3.29Å; L364-E366 VanDerWaalsContact C-N 3.3Å; L364-E366 PolarHBondContact O-N 3.17Å; E366-P368 VanDerWaalsContact O-CD 3.25Å; E366-P368 WeakPolarHBondContact O-CD 3.27Å
367N79.5Confident89.1Confident8 Ų858.7 Ų58.74%0.04328%0.283CS..SBendtrans-80.4113.1-177.4-81.2-60.5000112.5R319 L322 L363 L364 G371R319-N367 PolarHBondContact NH2-O 3.41Å; L322-N367 WeakPolarHBondContact CD1-ND2 3.37Å; L363-N367 PolarHBondContact O-N 3.04Å; L363-N367 PolarHBondContact O-ND2 3.42Å; L364-N367 PolarHBondContact O-N 3.38Å; N367-G371 WeakPolarHBondContact O-CA 3.28Å
368P77.1Confident89.1Confident27 Ų2757.4 Ų57.418%0.17528%0.275CS..SBendtrans-69.5155.4173.6-13.930.9000111.8D278 S315 R319 E366D278-P368 HydrophobicContact CB-CG 4.38Å; D278-P368 WeakPolarHBondContact OD1-CB 3.25Å; S315-P368 VanDerWaalsContact CB-O 3.24Å; S315-P368 WeakPolarHBondContact CB-O 3.38Å; S315-P368 PolarHBondContact OG-O 2.99Å; R319-P368 PolarHBondContact NH2-O 3.46Å; E366-P368 VanDerWaalsContact O-CD 3.25Å; E366-P368 WeakPolarHBondContact O-CD 3.27Å
369P78.8Confident89Confident42 Ų4256.2 Ų56.227%0.27327%0.271SS..SBendcis-90.4152.6-6.935.1-34.3000112.9R283 R319 G371R283-P369 VanDerWaalsContact NH2-CB 3.3Å; R319-P369 PolarHBondContact NH2-O 2.83Å; P369-G371 PolarHBondContact O-N 3.27Å
370D81.1Confident89.1Confident77 Ų7761.7 Ų61.741%0.41230%0.295SS..SBendtrans58.537.2173.7-67.7-75.3000114.9R283 E372 R373 F374R283-D370 IonicContact NH2-OD2 3.3Å; D370-E372 PolarHBondContact O-N 3.49Å; D370-R373 HydrophobicContact CB-CB 4.32Å; D370-R373 WeakPolarHBondContact O-CB 3.49Å; D370-R373 PolarHBondContact O-N 2.97Å; D370-R373 IonicContact OD1-CZ 3.23Å; D370-R373 IonicContact OD1-NE 2.56Å; D370-R373 IonicContact OD1-NH1 2.67Å; D370-R373 PolarHBondContact OD1-NH1 3.14Å; D370-F374 PolarHBondContact O-N 3Å
371G83.3Confident89.1Confident7 Ų765.1 Ų65.17%0.07231%0.313CS..Hα-helixtrans-49-48.8-175.100000115L364 N367 P369 R373 F374 S375L364-G371 WeakPolarHBondContact O-CA 3.34Å; N367-G371 WeakPolarHBondContact O-CA 3.28Å; P369-G371 PolarHBondContact O-N 3.27Å; G371-R373 VanDerWaalsContact C-N 3.34Å; G371-R373 PolarHBondContact O-N 2.84Å; G371-F374 WeakPolarHBondContact O-CB 3.13Å; G371-F374 PolarHBondContact O-N 3.45Å; G371-S375 PolarHBondContact O-N 3.12Å; G371-S375 PolarHBondContact O-OG 2.88Å
372E88.1Confident89.1Confident131 Ų13163.5 Ų63.561%0.61231%0.307SS*.Hα-helixtrans-59.9-38.1177.1-68.7-171.7-171.100114.2D370 F374 K376D370-E372 PolarHBondContact O-N 3.49Å; E372-F374 VanDerWaalsContact C-N 3.34Å; E372-K376 WeakPolarHBondContact O-CG 3.4Å; E372-K376 PolarHBondContact O-N 2.86Å; E372-K376 VanDerWaalsContact O-N 3.14Å
373R90.8Very high89.2Confident178 Ų17862.2 Ų62.267%0.67230%0.304SS*.Hα-helixtrans-70.1-38.9178.2-65.6177.7172.3163.5-10.6110.1D370 G371 M377D370-R373 HydrophobicContact CB-CB 4.32Å; D370-R373 WeakPolarHBondContact O-CB 3.49Å; D370-R373 PolarHBondContact O-N 2.97Å; D370-R373 IonicContact OD1-CZ 3.23Å; D370-R373 IonicContact OD1-NE 2.56Å; D370-R373 IonicContact OD1-NH1 2.67Å; D370-R373 PolarHBondContact OD1-NH1 3.14Å; G371-R373 VanDerWaalsContact C-N 3.34Å; G371-R373 PolarHBondContact O-N 2.84Å; R373-M377 WeakPolarHBondContact O-CB 3.48Å; R373-M377 PolarHBondContact O-N 3.2Å
374F91.9Very high89.4Confident38 Ų3864.6 Ų64.617%0.16732%0.319CS..Hα-helixtrans-62.7-48.2174.6-170.5-99.7000111.2R319 L323 L364 D370 G371 E372 K376 M377 V378R319-F374 HydrophobicContact CB-CE1 4.35Å; R319-F374 HydrophobicContact CB-CZ 4.4Å; R319-F374 HydrophobicContact CG-CE1 4.05Å; R319-F374 HydrophobicContact CG-CZ 4.39Å; L323-F374 HydrophobicContact CD1-CZ 4.14Å; L323-F374 HydrophobicContact CD2-CE1 4.45Å; L323-F374 HydrophobicContact CD2-CZ 4.47Å; L364-F374 HydrophobicContact CD2-CD1 4.21Å; L364-F374 HydrophobicContact CD2-CE1 3.99Å; D370-F374 PolarHBondContact O-N 3Å; G371-F374 WeakPolarHBondContact O-CB 3.13Å; G371-F374 PolarHBondContact O-N 3.45Å; E372-F374 VanDerWaalsContact C-N 3.34Å; F374-K376 PolarHBondContact O-N 3.09Å; F374-M377 HydrophobicContact CD2-CE 3.82Å; F374-M377 HydrophobicContact CE2-CE 4.03Å; F374-M377 WeakPolarHBondContact O-CB 3.38Å; F374-M377 PolarHBondContact O-N 3.06Å; F374-M377 VanDerWaalsContact O-N 3.1Å; F374-V378 HydrophobicContact CD1-CG2 4.04Å; F374-V378 HydrophobicContact CE1-CG2 3.75Å; F374-V378 HydrophobicContact CZ-CG2 4.09Å; F374-V378 WeakPolarHBondContact O-CG2 3.42Å; F374-V378 PolarHBondContact O-N 3.42Å
375S91.7Very high89.5Confident9 Ų967.9 Ų67.96%0.06334%0.335CS..Hα-helixtrans-55.7-47.4175.8-64.40000112.5L364 S365 G371 M377 V378 E379L364-S375 WeakPolarHBondContact CB-OG 3.35Å; S365-S375 PolarHBondContact N-OG 2.82Å; G371-S375 PolarHBondContact O-N 3.12Å; G371-S375 PolarHBondContact O-OG 2.88Å; S375-M377 VanDerWaalsContact C-N 3.31Å; S375-M377 PolarHBondContact O-N 3.1Å; S375-V378 PolarHBondContact O-N 2.85Å; S375-V378 VanDerWaalsContact O-N 3.14Å; S375-E379 WeakPolarHBondContact O-CG 3.47Å; S375-E379 PolarHBondContact O-N 3.02Å
376K92.9Very high89.6Confident132 Ų13270.4 Ų70.457%0.57434%0.341SS*.Hα-helixtrans-62.3-35.4176.5-73170-178.91640113.2E372 F374 H380E372-K376 WeakPolarHBondContact O-CG 3.4Å; E372-K376 PolarHBondContact O-N 2.86Å; E372-K376 VanDerWaalsContact O-N 3.14Å; F374-K376 PolarHBondContact O-N 3.09Å; K376-H380 PolarHBondContact O-N 2.81Å; K376-H380 VanDerWaalsContact O-N 3.09Å
377M94Very high89.7Confident101 Ų10170.8 Ų70.850%0.49835%0.346SS..Hα-helixtrans-68.6-39.4174.8-17417366.900111.3R373 F374 S375 H380 I381R373-M377 WeakPolarHBondContact O-CB 3.48Å; R373-M377 PolarHBondContact O-N 3.2Å; F374-M377 HydrophobicContact CD2-CE 3.82Å; F374-M377 HydrophobicContact CE2-CE 4.03Å; F374-M377 WeakPolarHBondContact O-CB 3.38Å; F374-M377 PolarHBondContact O-N 3.06Å; F374-M377 VanDerWaalsContact O-N 3.1Å; S375-M377 VanDerWaalsContact C-N 3.31Å; S375-M377 PolarHBondContact O-N 3.1Å; M377-H380 PolarHBondContact O-N 3.16Å; M377-I381 HydrophobicContact CG-CD1 3.96Å; M377-I381 WeakPolarHBondContact O-CD1 3.15Å; M377-I381 VanDerWaalsContact O-CG1 3.24Å; M377-I381 WeakPolarHBondContact O-CG1 3.47Å; M377-I381 PolarHBondContact O-N 3.41Å
378V95.3Very high90.2Very high6 Ų676.3 Ų76.34%0.03637%0.366CS..Hα-helixtrans-66.4-44.3175.81740000111.4L323 L326 Y361 F374 S375 H380 I381 L382L323-V378 HydrophobicContact CD2-CB 4.47Å; L323-V378 HydrophobicContact CD2-CG1 3.9Å; L323-V378 HydrophobicContact CD2-CG2 3.63Å; L326-V378 HydrophobicContact CD1-CG1 3.57Å; Y361-V378 HydrophobicContact CE1-CG1 4.39Å; F374-V378 HydrophobicContact CD1-CG2 4.04Å; F374-V378 HydrophobicContact CE1-CG2 3.75Å; F374-V378 HydrophobicContact CZ-CG2 4.09Å; F374-V378 WeakPolarHBondContact O-CG2 3.42Å; F374-V378 PolarHBondContact O-N 3.42Å; S375-V378 PolarHBondContact O-N 2.85Å; S375-V378 VanDerWaalsContact O-N 3.14Å; V378-H380 VanDerWaalsContact C-N 3.32Å; V378-H380 PolarHBondContact O-N 3Å; V378-I381 PolarHBondContact O-N 3.36Å; V378-L382 HydrophobicContact CG1-CD1 3.83Å; V378-L382 HydrophobicContact CG1-CG 4.36Å; V378-L382 WeakPolarHBondContact O-CG 2.9Å; V378-L382 PolarHBondContact O-N 2.88Å
379E93.4Very high90.7Very high84 Ų8476.8 Ų76.839%0.39337%0.368SS..Hα-helixtrans-54.6-47.5171.9-72.2171.1-179.400111.2Y361 S375 L382 N383Y361-E379 HydrophobicContact CD1-CG 4.4Å; Y361-E379 HydrophobicContact CE1-CG 3.58Å; S375-E379 WeakPolarHBondContact O-CG 3.47Å; S375-E379 PolarHBondContact O-N 3.02Å; E379-L382 PolarHBondContact O-N 3.26Å; E379-N383 PolarHBondContact O-N 3.14Å; E379-N383 PolarHBondContact O-ND2 3.47Å; E379-N383 VanDerWaalsContact O-ND2 3.15Å
380H95.6Very high91.2Very high125 Ų12577.7 Ų77.758%0.57938%0.375SS*.Hα-helixtrans-63.2-42.6177.8-175.567.4000112.6K376 M377 V378 N383 T384K376-H380 PolarHBondContact O-N 2.81Å; K376-H380 VanDerWaalsContact O-N 3.09Å; M377-H380 PolarHBondContact O-N 3.16Å; V378-H380 VanDerWaalsContact C-N 3.32Å; V378-H380 PolarHBondContact O-N 3Å; H380-N383 PolarHBondContact O-N 3.46Å; H380-T384 WeakPolarHBondContact O-CG2 3.31Å; H380-T384 PolarHBondContact O-N 3.47Å
381I96.2Very high91.5Very high72 Ų7274.9 Ų74.937%0.36936%0.359SS..Hα-helixtrans-62-48.8177.9-71.6164.1000110.6M377 V378 N383 T384 E385M377-I381 HydrophobicContact CG-CD1 3.96Å; M377-I381 WeakPolarHBondContact O-CD1 3.15Å; M377-I381 VanDerWaalsContact O-CG1 3.24Å; M377-I381 WeakPolarHBondContact O-CG1 3.47Å; M377-I381 PolarHBondContact O-N 3.41Å; V378-I381 PolarHBondContact O-N 3.36Å; I381-N383 VanDerWaalsContact C-N 3.3Å; I381-N383 PolarHBondContact O-N 2.92Å; I381-T384 WeakPolarHBondContact CA-OG1 3.41Å; I381-T384 CarbonylContact O-C 3.57Å; I381-T384 WeakPolarHBondContact O-CA 3.44Å; I381-T384 PolarHBondContact O-N 2.61Å; I381-T384 PolarHBondContact O-OG1 2.96Å; I381-E385 HydrophobicContact CG2-CG 4.45Å; I381-E385 PolarHBondContact O-N 3.07Å
382L93.9Very high91.7Very high14 Ų1476.5 Ų76.57%0.07336%0.363CS..Hα-helixtrans-61.3-38179.5-68.1166.7000112L326 Q330 Y361 V378 E379 T384 E385 E386L326-L382 HydrophobicContact CB-CD1 4.08Å; L326-L382 HydrophobicContact CD1-CD1 4.34Å; Q330-L382 HydrophobicContact CB-CD2 4.19Å; Q330-L382 HydrophobicContact CG-CD2 4.23Å; Q330-L382 PolarHBondContact NE2-O 2.97Å; Y361-L382 VanDerWaalsContact OH-CD1 3.31Å; Y361-L382 WeakPolarHBondContact OH-CD1 3.3Å; V378-L382 HydrophobicContact CG1-CD1 3.83Å; V378-L382 HydrophobicContact CG1-CG 4.36Å; V378-L382 WeakPolarHBondContact O-CG 2.9Å; V378-L382 PolarHBondContact O-N 2.88Å; E379-L382 PolarHBondContact O-N 3.26Å; L382-T384 VanDerWaalsContact C-N 3.35Å; L382-T384 PolarHBondContact O-N 3.5Å; L382-E385 WeakPolarHBondContact O-CB 3.45Å; L382-E385 PolarHBondContact O-N 2.93Å; L382-E386 PolarHBondContact O-N 2.89Å
383N93.9Very high91.6Very high87 Ų8772.1 Ų72.147%0.46534%0.344SS..Hα-helixtrans-63.3-37.7171.6-67.2-25000112.1E379 H380 I381 E386 N387E379-N383 PolarHBondContact O-N 3.14Å; E379-N383 PolarHBondContact O-ND2 3.47Å; E379-N383 VanDerWaalsContact O-ND2 3.15Å; H380-N383 PolarHBondContact O-N 3.46Å; I381-N383 VanDerWaalsContact C-N 3.3Å; I381-N383 PolarHBondContact O-N 2.92Å; N383-E386 PolarHBondContact O-N 3.19Å; N383-N387 PolarHBondContact O-N 3.12Å; N383-N387 PolarHBondContact O-ND2 2.75Å
384T93.9Very high91.3Very high63 Ų6370.3 Ų70.339%0.38734%0.343SS..Hα-helixtrans-70.7-29.6173.560.80000113.2H380 I381 L382 N387 W388H380-T384 WeakPolarHBondContact O-CG2 3.31Å; H380-T384 PolarHBondContact O-N 3.47Å; I381-T384 WeakPolarHBondContact CA-OG1 3.41Å; I381-T384 CarbonylContact O-C 3.57Å; I381-T384 WeakPolarHBondContact O-CA 3.44Å; I381-T384 PolarHBondContact O-N 2.61Å; I381-T384 PolarHBondContact O-OG1 2.96Å; L382-T384 VanDerWaalsContact C-N 3.35Å; L382-T384 PolarHBondContact O-N 3.5Å; T384-N387 PolarHBondContact O-N 2.82Å; T384-W388 PolarHBondContact O-N 3.35Å
385E92.3Very high90.7Very high69 Ų6970.4 Ų70.432%0.32236%0.355SS..Hα-helixtrans-70.5-35.6173.1-71.5179.3179.800112.4Q330 I381 L382 N387 W388 N389Q330-E385 VanDerWaalsContact NE2-CB 3.29Å; Q330-E385 PolarHBondContact NE2-OE2 2.95Å; I381-E385 HydrophobicContact CG2-CG 4.45Å; I381-E385 PolarHBondContact O-N 3.07Å; L382-E385 WeakPolarHBondContact O-CB 3.45Å; L382-E385 PolarHBondContact O-N 2.93Å; E385-N387 VanDerWaalsContact C-N 3.35Å; E385-W388 PolarHBondContact O-N 2.88Å; E385-N389 WeakPolarHBondContact O-CB 3.45Å; E385-N389 PolarHBondContact O-N 3.05Å
386E90.3Very high90.2Very high104 Ų10470.3 Ų70.349%0.48635%0.354SS..Hα-helixtrans-62.1-42.2171.6-72.8-177.7179.400111.8Q330 L382 N383 N389 S390Q330-E386 HydrophobicContact CG-CG 4.49Å; L382-E386 PolarHBondContact O-N 2.89Å; N383-E386 PolarHBondContact O-N 3.19Å; E386-N389 PolarHBondContact O-N 3.41Å; E386-S390 WeakPolarHBondContact O-CB 3.45Å; E386-S390 PolarHBondContact O-N 3.22Å; E386-S390 PolarHBondContact O-OG 3.26Å
387N90.5Very high89.6Confident112 Ų11267 Ų6760%0.59935%0.347SS*.Hα-helixtrans-61.4-43.6172.6-69.4-47.1000111.7N383 T384 E385 S390 W391N383-N387 PolarHBondContact O-N 3.12Å; N383-N387 PolarHBondContact O-ND2 2.75Å; T384-N387 PolarHBondContact O-N 2.82Å; E385-N387 VanDerWaalsContact C-N 3.35Å; N387-S390 PolarHBondContact O-N 3.44Å; N387-W391 PolarHBondContact O-N 2.9Å
388W89.3Confident88.7Confident124 Ų12465.4 Ų65.447%0.4735%0.345SS..Hα-helixtrans-65-40.9177.3-176.6-103.7000112.8T384 E385 S390 W391 K392 F399T384-W388 PolarHBondContact O-N 3.35Å; E385-W388 PolarHBondContact O-N 2.88Å; W388-S390 VanDerWaalsContact C-N 3.34Å; W388-W391 HydrophobicContact CD2-CE3 4.14Å; W388-W391 HydrophobicContact CD2-CZ3 4.41Å; W388-W391 AromaticContact CE3-CE3 3.91Å; W388-W391 HydrophobicContact CE3-CE3 3.91Å; W388-W391 HydrophobicContact CE3-CZ3 4.2Å; W388-W391 AromaticContact CH2-CE3 3.96Å; W388-W391 HydrophobicContact CH2-CE3 3.96Å; W388-W391 AromaticContact CH2-CH2 3.95Å; W388-W391 HydrophobicContact CH2-CH2 3.95Å; W388-W391 AromaticContact CH2-CZ3 3.37Å; W388-W391 HydrophobicContact CH2-CZ3 3.37Å; W388-W391 HydrophobicContact CZ2-CE3 4.17Å; W388-W391 HydrophobicContact CZ2-CH2 4.49Å; W388-W391 AromaticContact CZ2-CZ3 3.61Å; W388-W391 HydrophobicContact CZ2-CZ3 3.61Å; W388-W391 AromaticContact CZ3-CE3 3.82Å; W388-W391 HydrophobicContact CZ3-CE3 3.82Å; W388-W391 HydrophobicContact CZ3-CH2 4.31Å; W388-W391 AromaticContact CZ3-CZ3 3.7Å; W388-W391 HydrophobicContact CZ3-CZ3 3.7Å; W388-K392 VanDerWaalsContact O-CB 3.32Å; W388-K392 WeakPolarHBondContact O-CB 3.37Å; W388-K392 PolarHBondContact O-N 3.45Å; W388-F399 HydrophobicContact CZ3-CE2 4.17Å
389N88.4Confident87.5Confident38 Ų3871.1 Ų71.120%0.20337%0.37CS..Hα-helixtrans-64.7-39.1175.4-175.736.3000111.4Q335 E385 E386 K392 N393Q335-N389 PolarHBondContact O-ND2 3.44Å; E385-N389 WeakPolarHBondContact O-CB 3.45Å; E385-N389 PolarHBondContact O-N 3.05Å; E386-N389 PolarHBondContact O-N 3.41Å; N389-K392 WeakPolarHBondContact O-CB 3.45Å; N389-K392 PolarHBondContact O-N 3.19Å; N389-N393 VanDerWaalsContact O-CG 3.24Å; N389-N393 PolarHBondContact O-N 3.36Å; N389-N393 PolarHBondContact O-ND2 3.48Å
390S88.5Confident86.2Confident60 Ų6071.9 Ų71.942%0.4238%0.38SS..Hα-helixtrans-62.3-52.1175.3-570000111.5E386 N387 W388 K392 N393 E394E386-S390 WeakPolarHBondContact O-CB 3.45Å; E386-S390 PolarHBondContact O-N 3.22Å; E386-S390 PolarHBondContact O-OG 3.26Å; N387-S390 PolarHBondContact O-N 3.44Å; W388-S390 VanDerWaalsContact C-N 3.34Å; S390-K392 PolarHBondContact O-N 3.14Å; S390-N393 WeakPolarHBondContact O-CB 3.48Å; S390-N393 PolarHBondContact O-N 3.47Å; S390-E394 PolarHBondContact O-N 3.36Å
391W87.9Confident84.5Confident19 Ų1975.1 Ų75.17%0.07239%0.392CS..Hα-helixtrans-56.3-36.5173.5174.180.1000112.9L175 N387 W388 C396 P397 F399L175-W391 HydrophobicContact CD2-CH2 4.49Å; L175-W391 HydrophobicContact CD2-CZ3 4.5Å; N387-W391 PolarHBondContact O-N 2.9Å; W388-W391 HydrophobicContact CD2-CE3 4.14Å; W388-W391 HydrophobicContact CD2-CZ3 4.41Å; W388-W391 AromaticContact CE3-CE3 3.91Å; W388-W391 HydrophobicContact CE3-CE3 3.91Å; W388-W391 HydrophobicContact CE3-CZ3 4.2Å; W388-W391 AromaticContact CH2-CE3 3.96Å; W388-W391 HydrophobicContact CH2-CE3 3.96Å; W388-W391 AromaticContact CH2-CH2 3.95Å; W388-W391 HydrophobicContact CH2-CH2 3.95Å; W388-W391 AromaticContact CH2-CZ3 3.37Å; W388-W391 HydrophobicContact CH2-CZ3 3.37Å; W388-W391 HydrophobicContact CZ2-CE3 4.17Å; W388-W391 HydrophobicContact CZ2-CH2 4.49Å; W388-W391 AromaticContact CZ2-CZ3 3.61Å; W388-W391 HydrophobicContact CZ2-CZ3 3.61Å; W388-W391 AromaticContact CZ3-CE3 3.82Å; W388-W391 HydrophobicContact CZ3-CE3 3.82Å; W388-W391 HydrophobicContact CZ3-CH2 4.31Å; W388-W391 AromaticContact CZ3-CZ3 3.7Å; W388-W391 HydrophobicContact CZ3-CZ3 3.7Å; W391-C396 HydrophobicContact CD2-CB 4.48Å; W391-C396 HydrophobicContact CE3-CB 4.33Å; W391-C396 HydrophobicContact CH2-CB 3.45Å; W391-C396 VanDerWaalsContact CH2-CB 3.45Å; W391-C396 VanDerWaalsContact CZ2-CA 3.49Å; W391-C396 HydrophobicContact CZ2-CB 3.6Å; W391-C396 HydrophobicContact CZ3-CB 3.83Å; W391-C396 PolarHBondContact O-N 3.22Å; W391-P397 WeakPolarHBondContact CZ2-O 3.38Å; W391-P397 VanDerWaalsContact NE1-CD 3.35Å; W391-P397 PolarHBondContact NE1-O 3.14Å; W391-F399 AromaticContact CD1-CE1 3.95Å; W391-F399 AromaticContact CD1-CE2 3.92Å; W391-F399 AromaticContact CD1-CZ 3.38Å; W391-F399 AromaticContact CD2-CE2 3.73Å; W391-F399 HydrophobicContact CD2-CE2 3.73Å; W391-F399 AromaticContact CD2-CZ 3.82Å; W391-F399 HydrophobicContact CD2-CZ 3.82Å; W391-F399 AromaticContact CE2-CD2 3.94Å; W391-F399 AromaticContact CE2-CE2 3.19Å; W391-F399 AromaticContact CE2-CZ 3.55Å; W391-F399 HydrophobicContact CE3-CE2 4.38Å; W391-F399 HydrophobicContact CG-CE2 4.15Å; W391-F399 AromaticContact CG-CZ 3.73Å; W391-F399 HydrophobicContact CG-CZ 3.73Å; W391-F399 HydrophobicContact CH2-CE2 4.13Å; W391-F399 AromaticContact CZ2-CD2 3.84Å; W391-F399 HydrophobicContact CZ2-CD2 3.84Å; W391-F399 AromaticContact CZ2-CE2 3.44Å; W391-F399 HydrophobicContact CZ2-CE2 3.44Å; W391-F399 VanDerWaalsContact CZ2-CE2 3.44Å; W391-F399 HydrophobicContact CZ2-CZ 4.26Å; W391-F399 AromaticContact NE1-CD2 3.99Å; W391-F399 AromaticContact NE1-CE1 3.85Å; W391-F399 AromaticContact NE1-CE2 3.33Å; W391-F399 VanDerWaalsContact NE1-CE2 3.33Å; W391-F399 AromaticContact NE1-CZ 3.24Å
392K86.3Confident82.7Confident40 Ų4080 Ų8017%0.17441%0.414CS..Hα-helixtrans-67.5-42.5175.7-170.5-172.5-177-173.50112.2N176 S179 W388 N389 S390 E394 G395N176-K392 WeakPolarHBondContact O-CE 3.36Å; N176-K392 PolarHBondContact O-NZ 3.02Å; S179-K392 PolarHBondContact OG-NZ 3.07Å; W388-K392 VanDerWaalsContact O-CB 3.32Å; W388-K392 WeakPolarHBondContact O-CB 3.37Å; W388-K392 PolarHBondContact O-N 3.45Å; N389-K392 WeakPolarHBondContact O-CB 3.45Å; N389-K392 PolarHBondContact O-N 3.19Å; S390-K392 PolarHBondContact O-N 3.14Å; K392-E394 VanDerWaalsContact C-N 3.31Å; K392-E394 PolarHBondContact O-N 3.4Å; K392-G395 PolarHBondContact O-N 2.89Å
393N85.6Confident80.6Confident40 Ų4089.6 Ų89.621%0.21445%0.449CS..Hα-helixtrans-63.3-35.5177-72.9-30.8000112.1Q335 K337 N389 S390 G395Q335-N393 PolarHBondContact O-ND2 3.05Å; K337-N393 HydrophobicContact CB-CB 4.42Å; K337-N393 WeakPolarHBondContact CB-OD1 3.33Å; K337-N393 WeakPolarHBondContact CD-O 3.13Å; K337-N393 PolarHBondContact N-OD1 3.16Å; K337-N393 PolarHBondContact NZ-O 2.86Å; N389-N393 VanDerWaalsContact O-CG 3.24Å; N389-N393 PolarHBondContact O-N 3.36Å; N389-N393 PolarHBondContact O-ND2 3.48Å; S390-N393 WeakPolarHBondContact O-CB 3.48Å; S390-N393 PolarHBondContact O-N 3.47Å; N393-G395 PolarHBondContact O-N 3.26Å; N393-G395 VanDerWaalsContact O-N 3.16Å
394E85.3Confident78.4Confident139 Ų13991.8 Ų91.865%0.6547%0.465SS*.THydrogen-bonded Turntrans-64.6-11.9171.9-69.6172-177.600113.5S390 K392S390-E394 PolarHBondContact O-N 3.36Å; K392-E394 VanDerWaalsContact C-N 3.31Å; K392-E394 PolarHBondContact O-N 3.4Å
395G78.8Confident76.2Confident40 Ų4092.9 Ų92.941%0.41248%0.476SS..THydrogen-bonded Turntrans97.420.5179.500000114.2K392 N393K392-G395 PolarHBondContact O-N 2.89Å; N393-G395 PolarHBondContact O-N 3.26Å; N393-G395 VanDerWaalsContact O-N 3.16Å
396C81.3Confident74.2Confident7 Ų796.4 Ų96.45%0.04750%0.497CS..  trans63.257.5174.6-54.20000113.9L175 W391L175-C396 HydrophobicContact CD1-CB 3.69Å; W391-C396 HydrophobicContact CD2-CB 4.48Å; W391-C396 HydrophobicContact CE3-CB 4.33Å; W391-C396 HydrophobicContact CH2-CB 3.45Å; W391-C396 VanDerWaalsContact CH2-CB 3.45Å; W391-C396 VanDerWaalsContact CZ2-CA 3.49Å; W391-C396 HydrophobicContact CZ2-CB 3.6Å; W391-C396 HydrophobicContact CZ3-CB 3.83Å; W391-C396 PolarHBondContact O-N 3.22Å
397P80.4Confident72.2Confident64 Ų6495.7 Ų95.742%0.41650%0.5SS..  trans-5814417823.9-33.2000112.2W391 F399W391-P397 WeakPolarHBondContact CZ2-O 3.38Å; W391-P397 VanDerWaalsContact NE1-CD 3.35Å; W391-P397 PolarHBondContact NE1-O 3.14Å; P397-F399 PolarHBondContact O-N 3.19Å
398S75.6Confident70.4Confident66 Ų6699.2 Ų99.246%0.46251%0.51SS..  trans-66.1115.2-173.8-1760000112.5V400S398-V400 PolarHBondContact O-N 2.81Å; S398-V400 WeakPolarHBondContact OG-CB 3.11Å; S398-V400 PolarHBondContact OG-N 3.35Å; S398-V400 PolarHBondContact OG-O 2.78Å
399F69.3Low68.3Low127 Ų12799.2 Ų99.256%0.55753%0.526SS*.  trans-66.2-15.9167.5-66.7-64.7000113.4W388 W391 P397 K401W388-F399 HydrophobicContact CZ3-CE2 4.17Å; W391-F399 AromaticContact CD1-CE1 3.95Å; W391-F399 AromaticContact CD1-CE2 3.92Å; W391-F399 AromaticContact CD1-CZ 3.38Å; W391-F399 AromaticContact CD2-CE2 3.73Å; W391-F399 HydrophobicContact CD2-CE2 3.73Å; W391-F399 AromaticContact CD2-CZ 3.82Å; W391-F399 HydrophobicContact CD2-CZ 3.82Å; W391-F399 AromaticContact CE2-CD2 3.94Å; W391-F399 AromaticContact CE2-CE2 3.19Å; W391-F399 AromaticContact CE2-CZ 3.55Å; W391-F399 HydrophobicContact CE3-CE2 4.38Å; W391-F399 HydrophobicContact CG-CE2 4.15Å; W391-F399 AromaticContact CG-CZ 3.73Å; W391-F399 HydrophobicContact CG-CZ 3.73Å; W391-F399 HydrophobicContact CH2-CE2 4.13Å; W391-F399 AromaticContact CZ2-CD2 3.84Å; W391-F399 HydrophobicContact CZ2-CD2 3.84Å; W391-F399 AromaticContact CZ2-CE2 3.44Å; W391-F399 HydrophobicContact CZ2-CE2 3.44Å; W391-F399 VanDerWaalsContact CZ2-CE2 3.44Å; W391-F399 HydrophobicContact CZ2-CZ 4.26Å; W391-F399 AromaticContact NE1-CD2 3.99Å; W391-F399 AromaticContact NE1-CE1 3.85Å; W391-F399 AromaticContact NE1-CE2 3.33Å; W391-F399 VanDerWaalsContact NE1-CE2 3.33Å; W391-F399 AromaticContact NE1-CZ 3.24Å; P397-F399 PolarHBondContact O-N 3.19Å; F399-K401 VanDerWaalsContact C-N 3.29Å; F399-K401 PolarHBondContact O-N 3.27Å
400V67.5Low66.3Low100 Ų100102.3 Ų102.361%0.60655%0.546SS*.  trans-71.892171-173.60000107.4S398 E402S398-V400 PolarHBondContact O-N 2.81Å; S398-V400 WeakPolarHBondContact OG-CB 3.11Å; S398-V400 PolarHBondContact OG-N 3.35Å; S398-V400 PolarHBondContact OG-O 2.78Å; V400-E402 PolarHBondContact O-N 2.6Å
401K60.3Low64.2Low192 Ų192110.4 Ų110.484%0.83557%0.568SS**  trans-52.2113.7152.2-68.6-176.6179-177.30105.6F399 R403F399-K401 VanDerWaalsContact C-N 3.29Å; F399-K401 PolarHBondContact O-N 3.27Å; K401-R403 PolarHBondContact O-N 3.23Å; K401-R403 VanDerWaalsContact O-N 3.1Å
402E57.2Low62.3Low175 Ų175116.6 Ų116.682%0.81860%0.601SS**  trans-51.5125.9170.3-70.6-170.1143.500106.7V400 T404V400-E402 PolarHBondContact O-N 2.6Å; E402-T404 VanDerWaalsContact C-N 3.32Å; E402-T404 PolarHBondContact O-N 2.73Å
403R50.1Low60.7Low216 Ų216121.7 Ų121.782%0.81563%0.628SS**  trans-58.9111.2161.8-72.7-175.8179.6-176.3-0.3103.9K401 S405K401-R403 PolarHBondContact O-N 3.23Å; K401-R403 VanDerWaalsContact O-N 3.1Å; R403-S405 WeakPolarHBondContact O-CA 2.98Å; R403-S405 PolarHBondContact O-N 3.43Å
404T48.2Very low59.1Low132 Ų132130.1 Ų130.181%0.8166%0.657SS**  trans-41.2113.5164.346.10000105.1E402 D406E402-T404 VanDerWaalsContact C-N 3.32Å; E402-T404 PolarHBondContact O-N 2.73Å; T404-D406 PolarHBondContact O-N 2.84Å
405S48.2Very low57.6Low87 Ų87132.5 Ų132.561%0.60867%0.665SS**  trans-45.9136.2-164.555.90000108.8R403 T407R403-S405 WeakPolarHBondContact O-CA 2.98Å; R403-S405 PolarHBondContact O-N 3.43Å; S405-T407 PolarHBondContact O-N 3.13Å; S405-T407 PolarHBondContact O-OG1 3.29Å
406D49.9Very low56.2Low142 Ų142141.9 Ų141.976%0.75969%0.688SS**  trans-63.173168.2-78.6-52.2000108.4T404 K408T404-D406 PolarHBondContact O-N 2.84Å; D406-K408 PolarHBondContact O-N 2.77Å
407T48.5Very low54.8Low90 Ų90147.9 Ų147.955%0.55272%0.724SS**  trans-55.484.5146.5420000103.7S405 P409S405-T407 PolarHBondContact O-N 3.13Å; S405-T407 PolarHBondContact O-OG1 3.29Å; T407-P409 WeakPolarHBondContact O-CA 3.19Å
408K51.6Low53.3Low186 Ų186148.1 Ų148.181%0.80973%0.732SS**  trans-36.1107.6163.2-67.6175178.1176.60104.8D406 T410D406-K408 PolarHBondContact O-N 2.77Å; K408-T410 VanDerWaalsContact C-N 3.34Å; K408-T410 WeakPolarHBondContact O-CA 3.39Å; K408-T410 PolarHBondContact O-N 2.93Å
409P45.1Very low52.3Low123 Ų123148.2 Ų148.280%0.79973%0.731SS**  trans-47.2104.2-146.710.7-29.1000107.7T407 R411T407-P409 WeakPolarHBondContact O-CA 3.19Å; P409-R411 VanDerWaalsContact C-N 3.31Å; P409-R411 WeakPolarHBondContact O-CA 3.22Å; P409-R411 PolarHBondContact O-N 2.72Å
410T47Very low51.6Low104 Ų104150.2 Ų150.264%0.63874%0.742SS**  trans-57.8106-160.4-46.60000104.1K408 I412K408-T410 VanDerWaalsContact C-N 3.34Å; K408-T410 WeakPolarHBondContact O-CA 3.39Å; K408-T410 PolarHBondContact O-N 2.93Å; T410-I412 WeakPolarHBondContact O-CA 3.12Å; T410-I412 PolarHBondContact O-N 2.97Å
411R45Very low51.1Low230 Ų230152.4 Ų152.487%0.86875%0.751SS**  trans-48.2113.5-165.7-116.1-173.7179.2179.30.1103.8P409 I413P409-R411 VanDerWaalsContact C-N 3.31Å; P409-R411 WeakPolarHBondContact O-CA 3.22Å; P409-R411 PolarHBondContact O-N 2.72Å; R411-I413 PolarHBondContact O-N 3.43Å
412I47.4Very low50.9Low149 Ų149147.9 Ų147.976%0.76473%0.731SS**  trans-66.594.4-175.1-59.6175.6000102.8T410 R414T410-I412 WeakPolarHBondContact O-CA 3.12Å; T410-I412 PolarHBondContact O-N 2.97Å; I412-R414 HydrophobicContact CG2-CG 4.03Å; I412-R414 PolarHBondContact O-N 3.49Å
413I52.7Low51Low146 Ų146143.3 Ų143.375%0.74971%0.712SS**  trans-63.788.2158-59176.700099.8R411 K415R411-I413 PolarHBondContact O-N 3.43Å; I413-K415 PolarHBondContact O-N 3.14Å
414R51.8Low51.5Low218 Ų218133.8 Ų133.882%0.82368%0.681SS**  trans-53.593.1156.1-70.3-179.8176.5174.6-2.5101.6I412 R416I412-R414 HydrophobicContact CG2-CG 4.03Å; I412-R414 PolarHBondContact O-N 3.49Å; R414-R416 PolarHBondContact O-N 3.27Å
415K53Low52Low188 Ų188138.2 Ų138.282%0.81769%0.689SS**  trans-48105.9155.2-79.2-175.1174.8-178.30101.1I413 T417I413-K415 PolarHBondContact O-N 3.14Å; K415-T417 PolarHBondContact O-N 3.41Å
416R50.2Low52.4Low237 Ų237136 Ų13689%0.89468%0.68SS**PPolyproline II helixtrans-53.1116.4-179-74.5176.9173171-4.4103.5R414 A418R414-R416 PolarHBondContact O-N 3.27Å; R416-A418 PolarHBondContact O-N 3.07Å; R416-A418 VanDerWaalsContact O-N 3.08Å
417T51.3Low52.7Low133 Ų133136 Ų13682%0.81669%0.688SS**PPolyproline II helixtrans-48.8125.5171.7-35.40000104.8K415K415-T417 PolarHBondContact O-N 3.41Å
418A50.1Low53.2Low70 Ų70134.9 Ų134.958%0.57968%0.684SS**PPolyproline II helixtrans-51.5133.5-176.300000107.5R416 E420R416-A418 PolarHBondContact O-N 3.07Å; R416-A418 VanDerWaalsContact O-N 3.08Å; A418-E420 PolarHBondContact O-N 2.98Å
419P53.6Low53.7Low68 Ų68134 Ų13444%0.44268%0.68SS.*PPolyproline II helixtrans-49.6133.5-175.6-28.134.2000110.3D421 F422P419-D421 HydrophobicContact CB-CB 4.41Å; P419-D421 PolarHBondContact O-N 3.44Å; P419-F422 HydrophobicContact CB-CD2 4.1Å; P419-F422 HydrophobicContact CB-CE2 4.31Å; P419-F422 HydrophobicContact CG-CD2 4.26Å; P419-F422 HydrophobicContact CG-CE2 4.13Å; P419-F422 PolarHBondContact O-N 2.69Å
420E55.7Low54.6Low169 Ų169133.7 Ų133.779%0.7967%0.666SS**G310 helixtrans-58.4-17.6-178.7-67.5-174.5142.200112.3A418 F422 L423A418-E420 PolarHBondContact O-N 2.98Å; E420-F422 PolarHBondContact O-N 3.17Å; E420-L423 PolarHBondContact O-N 3.09Å
421D57.3Low55.7Low146 Ų146131.2 Ų131.278%0.78165%0.648SS**G310 helixtrans-54.7-24.7170.1-59.9-34.4000114.3P419P419-D421 HydrophobicContact CB-CB 4.41Å; P419-D421 PolarHBondContact O-N 3.44Å
422F55Low56.8Low96 Ų96124.4 Ų124.442%0.42163%0.629SS.*G310 helixtrans-84.6-8.4175.8-70.9-79.4000113.7P419 E420 I431 L432 M433P419-F422 HydrophobicContact CB-CD2 4.1Å; P419-F422 HydrophobicContact CB-CE2 4.31Å; P419-F422 HydrophobicContact CG-CD2 4.26Å; P419-F422 HydrophobicContact CG-CE2 4.13Å; P419-F422 PolarHBondContact O-N 2.69Å; E420-F422 PolarHBondContact O-N 3.17Å; F422-I431 CarbonylContact O-C 3.22Å; F422-I431 VanDerWaalsContact O-CA 3.29Å; F422-I431 WeakPolarHBondContact O-CA 3.49Å; F422-L432 PolarHBondContact O-N 2.61Å; F422-M433 HydrophobicContact CD1-SD 4.1Å; F422-M433 HydrophobicContact CE1-SD 4.24Å
423L60.2Low57.7Low79 Ų79119.8 Ų119.841%0.41460%0.604SS.*BIsolated β-bridgetrans-106.7117.5-179-66.5173.8000110.2E420 K425 I431E420-L423 PolarHBondContact O-N 3.09Å; L423-K425 PolarHBondContact O-N 3.22Å; L423-I431 HydrophobicContact CD2-CG1 4.29Å
424G59.5Low58.5Low17 Ų17117.6 Ų117.618%0.17562%0.618CS.*  trans-57.8131.6175.300000111.7G426 K430G424-G426 VanDerWaalsContact C-N 3.27Å; G424-G426 PolarHBondContact O-N 2.86Å; G424-K430 PolarHBondContact N-O 3.06Å
425K58.1Low59.9Low224 Ų224111.5 Ų111.597%0.97460%0.602SS**SBendtrans-75.478.9178-66.1-174.7179.5-179.20110.6L423L423-K425 PolarHBondContact O-N 3.22Å
426G58Low61Low40 Ų40110.7 Ų110.741%0.41260%0.601SS.*SBendtrans-160.5170.817600000111.7G424 S428G424-G426 VanDerWaalsContact C-N 3.27Å; G424-G426 PolarHBondContact O-N 2.86Å; G426-S428 VanDerWaalsContact C-N 3.27Å; G426-S428 CarbonylContact O-C 3.54Å; G426-S428 PolarHBondContact O-N 2.99Å
427P56.5Low62.3Low143 Ų143104 Ų10493%0.92958%0.58SS**SBendtrans-65.5-29.3-177.525.2-33.6000112.9
428S57.2Low63.4Low67 Ų67101.6 Ų101.647%0.46956%0.561SS.*SBendtrans-85.7111.8161.847.50000109.1G426 K430G426-S428 VanDerWaalsContact C-N 3.27Å; G426-S428 CarbonylContact O-C 3.54Å; G426-S428 PolarHBondContact O-N 2.99Å; S428-K430 PolarHBondContact O-N 2.91Å; S428-K430 WeakPolarHBondContact OG-CE 3.44Å
429K62.2Low64.8Low168 Ų16899.7 Ų99.773%0.7354%0.542SS*.  trans-70.559.7178.1-66.6178.2-179.5171.40111.8
430K64.9Low66.1Low115 Ų115103.2 Ų103.250%0.555%0.547SS..  trans-67.6132.2-176.8-67.4-177.1-179.7-1780110.5G424 S428 L432 N443G424-K430 PolarHBondContact N-O 3.06Å; S428-K430 PolarHBondContact O-N 2.91Å; S428-K430 WeakPolarHBondContact OG-CE 3.44Å; K430-L432 PolarHBondContact O-N 3.16Å; K430-N443 WeakPolarHBondContact CA-OD1 3.48Å
431I69.2Low67Low52 Ų5299.8 Ų99.827%0.26753%0.534SS..BIsolated β-bridgetrans-75.5108176.6-59.5174.3000108.2F422 L423 M433 W442 N443F422-I431 CarbonylContact O-C 3.22Å; F422-I431 VanDerWaalsContact O-CA 3.29Å; F422-I431 WeakPolarHBondContact O-CA 3.49Å; L423-I431 HydrophobicContact CD2-CG1 4.29Å; I431-M433 HydrophobicContact CG2-CG 4.26Å; I431-M433 HydrophobicContact CG2-SD 4.25Å; I431-M433 PolarHBondContact O-N 3.03Å; I431-W442 HydrophobicContact CB-CB 4.49Å; I431-W442 HydrophobicContact CD1-CE3 3.87Å; I431-W442 HydrophobicContact CD1-CZ3 4.37Å; I431-W442 HydrophobicContact CG2-CB 4.48Å; I431-W442 HydrophobicContact CG2-CE3 4.15Å; I431-N443 PolarHBondContact N-ND2 2.68Å; I431-N443 PolarHBondContact N-OD1 2.73Å; I431-N443 PolarHBondContact O-ND2 2.77Å
432L68.8Low67.8Low88 Ų8899.6 Ų99.646%0.46152%0.522SS..  trans-83.1106.8177.4-76.6167.6000109.7F422 K430 T439F422-L432 PolarHBondContact O-N 2.61Å; K430-L432 PolarHBondContact O-N 3.16Å; L432-T439 HydrophobicContact CD2-CG2 4.35Å
433M65.7Low68.8Low51 Ų5197.5 Ų97.525%0.25152%0.515SS..  trans-100.6135.5166.1-59.4-64.4-99.100107.4F422 I431 N435 L438 T439 W442F422-M433 HydrophobicContact CD1-SD 4.1Å; F422-M433 HydrophobicContact CE1-SD 4.24Å; I431-M433 HydrophobicContact CG2-CG 4.26Å; I431-M433 HydrophobicContact CG2-SD 4.25Å; I431-M433 PolarHBondContact O-N 3.03Å; M433-N435 CarbonylContact O-C 3.59Å; M433-N435 PolarHBondContact O-N 3.44Å; M433-N435 VanDerWaalsContact O-O 3.05Å; M433-L438 HydrophobicContact CB-CB 3.77Å; M433-T439 PolarHBondContact N-OG1 2.76Å; M433-T439 PolarHBondContact O-OG1 2.91Å; M433-W442 HydrophobicContact CE-CD2 4.45Å; M433-W442 HydrophobicContact CE-CZ2 4.39Å; M433-W442 HydrophobicContact CG-CB 4.33Å; M433-W442 HydrophobicContact CG-CG 4.11Å
434G70.2Confident69.3Low100 Ų10099.2 Ų99.2100%1.03152%0.524SS*.SBendtrans-62.29.9-167.100000118.4
435N80.5Confident69.6Low91 Ų91101.1 Ų101.149%0.48753%0.534SS..SBendtrans-129.8136.2170177.1-22.5000108.3M433 E437 L438 T439M433-N435 CarbonylContact O-C 3.59Å; M433-N435 PolarHBondContact O-N 3.44Å; M433-N435 VanDerWaalsContact O-O 3.05Å; N435-E437 VanDerWaalsContact C-N 3.35Å; N435-E437 PolarHBondContact O-N 2.76Å; N435-E437 PolarHBondContact OD1-N 3.44Å; N435-L438 HydrophobicContact CB-CB 4.4Å; N435-L438 HydrophobicContact CB-CD1 4.29Å; N435-L438 PolarHBondContact O-N 2.7Å; N435-L438 VanDerWaalsContact O-N 3.11Å; N435-T439 PolarHBondContact O-N 3.07Å
436E76.7Confident69.9Low171 Ų17197 Ų9780%0.79953%0.53SS*.Hα-helixtrans-56.2-41.8-175.9-63.5-176152.300113.3L438 T439 R440E436-L438 PolarHBondContact O-N 2.87Å; E436-T439 PolarHBondContact O-N 3.17Å; E436-R440 WeakPolarHBondContact O-CB 3.5Å; E436-R440 PolarHBondContact O-N 2.97Å
437E77.3Confident70.2Confident97 Ų9798.3 Ų98.345%0.45353%0.528SS..Hα-helixtrans-68-34.8178-77.5-60.5146.700112.6N435 R440 L441N435-E437 VanDerWaalsContact C-N 3.35Å; N435-E437 PolarHBondContact O-N 2.76Å; N435-E437 PolarHBondContact OD1-N 3.44Å; E437-R440 PolarHBondContact O-N 3.41Å; E437-R440 IonicContact OE1-NE 3.51Å; E437-R440 IonicContact OE1-NH2 2.69Å; E437-R440 IonicContact OE2-CZ 2.87Å; E437-R440 VanDerWaalsContact OE2-CZ 3.22Å; E437-R440 IonicContact OE2-NE 3.87Å; E437-R440 PolarHBondContact OE2-NE 3.09Å; E437-R440 IonicContact OE2-NH2 3.22Å; E437-R440 PolarHBondContact OE2-NH2 3.28Å; E437-L441 WeakPolarHBondContact O-CB 3.5Å; E437-L441 VanDerWaalsContact O-CG 3.28Å; E437-L441 WeakPolarHBondContact O-CG 3.48Å; E437-L441 PolarHBondContact O-N 2.68Å
438L75.2Confident70.8Confident81 Ų8197.8 Ų97.842%0.42452%0.517SS..Hα-helixtrans-71.2-38.1174.5-87.5160.8000111.5M433 N435 E436 W442M433-L438 HydrophobicContact CB-CB 3.77Å; N435-L438 HydrophobicContact CB-CB 4.4Å; N435-L438 HydrophobicContact CB-CD1 4.29Å; N435-L438 PolarHBondContact O-N 2.7Å; N435-L438 VanDerWaalsContact O-N 3.11Å; E436-L438 PolarHBondContact O-N 2.87Å; L438-W442 WeakPolarHBondContact O-CB 3.4Å; L438-W442 PolarHBondContact O-N 3.33Å
439T79.3Confident71.2Confident30 Ų30100.4 Ų100.418%0.18452%0.524CS..Hα-helixtrans-62.6-42.4170.2-73.10000110.7L432 M433 N435 E436 N443L432-T439 HydrophobicContact CD2-CG2 4.35Å; M433-T439 PolarHBondContact N-OG1 2.76Å; M433-T439 PolarHBondContact O-OG1 2.91Å; N435-T439 PolarHBondContact O-N 3.07Å; E436-T439 PolarHBondContact O-N 3.17Å; T439-N443 WeakPolarHBondContact O-CB 3.21Å; T439-N443 PolarHBondContact O-N 2.83Å; T439-N443 PolarHBondContact O-ND2 3.27Å
440R80.2Confident71.4Confident142 Ų14298 Ų9854%0.53652%0.515SS..Hα-helixtrans-60.6-51.8177.1-170.3175.971.499.8-1.9111.1E436 E437 W442 N443 L444E436-R440 WeakPolarHBondContact O-CB 3.5Å; E436-R440 PolarHBondContact O-N 2.97Å; E437-R440 PolarHBondContact O-N 3.41Å; E437-R440 IonicContact OE1-NE 3.51Å; E437-R440 IonicContact OE1-NH2 2.69Å; E437-R440 IonicContact OE2-CZ 2.87Å; E437-R440 VanDerWaalsContact OE2-CZ 3.22Å; E437-R440 IonicContact OE2-NE 3.87Å; E437-R440 PolarHBondContact OE2-NE 3.09Å; E437-R440 IonicContact OE2-NH2 3.22Å; E437-R440 PolarHBondContact OE2-NH2 3.28Å; R440-W442 PolarHBondContact O-N 3.33Å; R440-N443 PolarHBondContact O-N 3.31Å; R440-L444 PolarHBondContact O-N 3.02Å
441L75.6Confident71.4Confident98 Ų9893.5 Ų93.551%0.51350%0.499SS..Hα-helixtrans-60.8-42.9-180-72.6167.7000112.9E437 N443 L444E437-L441 WeakPolarHBondContact O-CB 3.5Å; E437-L441 VanDerWaalsContact O-CG 3.28Å; E437-L441 WeakPolarHBondContact O-CG 3.48Å; E437-L441 PolarHBondContact O-N 2.68Å; L441-N443 VanDerWaalsContact C-N 3.26Å; L441-N443 PolarHBondContact O-N 3.17Å; L441-L444 HydrophobicContact CD2-CD1 3.98Å; L441-L444 PolarHBondContact O-N 3.38Å
442W74.4Confident71.2Confident142 Ų14294.7 Ų94.754%0.53851%0.511SS..Hα-helixtrans-74.3-11.1179.7-88.575.6000114.7I431 M433 L438 R440I431-W442 HydrophobicContact CB-CB 4.49Å; I431-W442 HydrophobicContact CD1-CE3 3.87Å; I431-W442 HydrophobicContact CD1-CZ3 4.37Å; I431-W442 HydrophobicContact CG2-CB 4.48Å; I431-W442 HydrophobicContact CG2-CE3 4.15Å; M433-W442 HydrophobicContact CE-CD2 4.45Å; M433-W442 HydrophobicContact CE-CZ2 4.39Å; M433-W442 HydrophobicContact CG-CB 4.33Å; M433-W442 HydrophobicContact CG-CG 4.11Å; L438-W442 WeakPolarHBondContact O-CB 3.4Å; L438-W442 PolarHBondContact O-N 3.33Å; R440-W442 PolarHBondContact O-N 3.33Å
443N74.7Confident71.2Confident52 Ų5298.3 Ų98.328%0.27852%0.523SS..THydrogen-bonded Turntrans-112.712.9177-67.5-68.1000113.3K430 I431 T439 R440 L441K430-N443 WeakPolarHBondContact CA-OD1 3.48Å; I431-N443 PolarHBondContact N-ND2 2.68Å; I431-N443 PolarHBondContact N-OD1 2.73Å; I431-N443 PolarHBondContact O-ND2 2.77Å; T439-N443 WeakPolarHBondContact O-CB 3.21Å; T439-N443 PolarHBondContact O-N 2.83Å; T439-N443 PolarHBondContact O-ND2 3.27Å; R440-N443 PolarHBondContact O-N 3.31Å; L441-N443 VanDerWaalsContact C-N 3.26Å; L441-N443 PolarHBondContact O-N 3.17Å
444L71.7Confident71.3Confident114 Ų11498.3 Ų98.360%0.59753%0.528SS*.SBendtrans-62.8-44.3173.9-82.7166.9000111.8R440 L441R440-L444 PolarHBondContact O-N 3.02Å; L441-L444 HydrophobicContact CD2-CD1 3.98Å; L441-L444 PolarHBondContact O-N 3.38Å
445C65.4Low71.1Confident57 Ų57101.6 Ų101.639%0.38552%0.517SS..  trans-146139.6173.8-59.90000110A451C445-A451 HydrophobicContact CB-CB 3.66Å; C445-A451 WeakPolarHBondContact SG-CB 3.4Å
446P63.5Low70.3Confident137 Ų137102.7 Ų102.789%0.8953%0.527SS*.SBendtrans-74.4-30.9177.729.6-34000113.2
447D66Low69.7Low69 Ų69100.4 Ų100.437%0.36951%0.511SS..  trans-122.4130.8170.1-172.42.7000111M449 E450 A451D447-M449 VanDerWaalsContact C-N 3.28Å; D447-M449 PolarHBondContact O-N 3.48Å; D447-M449 PolarHBondContact OD1-N 2.94Å; D447-E450 HydrophobicContact CB-CB 4.26Å; D447-E450 HydrophobicContact CB-CG 4.09Å; D447-E450 PolarHBondContact O-N 2.93Å; D447-A451 WeakPolarHBondContact O-CB 3.28Å; D447-A451 PolarHBondContact O-N 3.38Å
448N68.1Low69.2Low131 Ų131102.3 Ų102.370%0.70152%0.52SS*.Hα-helixtrans-67-28.2174.1-70.3-45.4000112.2C452N448-C452 PolarHBondContact O-N 3.34Å; N448-C452 VanDerWaalsContact O-N 3.13Å; N448-C452 PolarHBondContact O-SG 2.97Å
449M65Low68.8Low122 Ų122107.4 Ų107.460%0.60154%0.535SS*.Hα-helixtrans-72.4-38.7177.9-71.4-60.1-55.300112D447 C452 K453D447-M449 VanDerWaalsContact C-N 3.28Å; D447-M449 PolarHBondContact O-N 3.48Å; D447-M449 PolarHBondContact OD1-N 2.94Å; M449-C452 PolarHBondContact O-N 3.47Å; M449-K453 WeakPolarHBondContact O-CG 3.49Å; M449-K453 PolarHBondContact O-N 3.47Å
450E66.4Low68.3Low119 Ų119109.4 Ų109.456%0.55654%0.543SS*.Hα-helixtrans-68.9-41.8172.8-65179.3159.800111.1D447 C452 K453 S454D447-E450 HydrophobicContact CB-CB 4.26Å; D447-E450 HydrophobicContact CB-CG 4.09Å; D447-E450 PolarHBondContact O-N 2.93Å; E450-C452 PolarHBondContact O-N 3.14Å; E450-C452 VanDerWaalsContact O-N 3.13Å; E450-K453 PolarHBondContact O-N 2.99Å; E450-S454 PolarHBondContact O-N 3.24Å
451A66Low68.1Low19 Ų19104.7 Ų104.716%0.15753%0.531CS..Hα-helixtrans-55.8-30.1171.900000113.4C445 D447 R457C445-A451 HydrophobicContact CB-CB 3.66Å; C445-A451 WeakPolarHBondContact SG-CB 3.4Å; D447-A451 WeakPolarHBondContact O-CB 3.28Å; D447-A451 PolarHBondContact O-N 3.38Å; A451-R457 WeakPolarHBondContact O-CD 3.46Å
452C64.7Low68.2Low78 Ų78102.8 Ų102.853%0.52752%0.523SS..THydrogen-bonded Turntrans-84.5-4.2176.4-65.70000114.5N448 M449 E450 R457N448-C452 PolarHBondContact O-N 3.34Å; N448-C452 VanDerWaalsContact O-N 3.13Å; N448-C452 PolarHBondContact O-SG 2.97Å; M449-C452 PolarHBondContact O-N 3.47Å; E450-C452 PolarHBondContact O-N 3.14Å; E450-C452 VanDerWaalsContact O-N 3.13Å; C452-R457 PolarHBondContact SG-NH1 2.95Å; C452-R457 VanDerWaalsContact SG-NH1 3.4Å
453K68.4Low68.1Low164 Ų16497.5 Ų97.571%0.71351%0.505SS*.SBendtrans-103.7-2.1175.6-68.2174.3-179.1178.20113.8M449 E450 E455M449-K453 WeakPolarHBondContact O-CG 3.49Å; M449-K453 PolarHBondContact O-N 3.47Å; E450-K453 PolarHBondContact O-N 2.99Å; K453-E455 PolarHBondContact O-N 3.4Å
454S68.3Low67.8Low50 Ų50101 Ų10135%0.3552%0.52SS..  trans-63.1133.5177.8-179.60000111.1E450 T456 R457E450-S454 PolarHBondContact O-N 3.24Å; S454-T456 PolarHBondContact O-N 2.9Å; S454-T456 VanDerWaalsContact O-N 3.14Å; S454-T456 PolarHBondContact OG-N 3.34Å; S454-T456 PolarHBondContact OG-OG1 3.16Å; S454-R457 WeakPolarHBondContact O-CB 3.37Å; S454-R457 PolarHBondContact O-N 2.86Å
455E64.9Low68Low169 Ų169101.4 Ų101.479%0.7952%0.519SS*.G310 helixtrans-56-28.6175.8-65.5169.8175.300112.2K453 R457 E458K453-E455 PolarHBondContact O-N 3.4Å; E455-R457 PolarHBondContact O-N 2.97Å; E455-E458 WeakPolarHBondContact O-CB 3.27Å; E455-E458 PolarHBondContact O-N 3.27Å
456T64.8Low68.5Low114 Ų11499.9 Ų99.970%0.69951%0.506SS*.G310 helixtrans-61.4-10.3172.166.30000114.6S454S454-T456 PolarHBondContact O-N 2.9Å; S454-T456 VanDerWaalsContact O-N 3.14Å; S454-T456 PolarHBondContact OG-N 3.34Å; S454-T456 PolarHBondContact OG-OG1 3.16Å
457R64.2Low69.2Low123 Ų12393.4 Ų93.446%0.46446%0.463SS..G310 helixtrans-106.83.3173.3-69.7-170.5156.8-172.4-5.6113.9A451 C452 S454 E455 Y459A451-R457 WeakPolarHBondContact O-CD 3.46Å; C452-R457 PolarHBondContact SG-NH1 2.95Å; C452-R457 VanDerWaalsContact SG-NH1 3.4Å; S454-R457 WeakPolarHBondContact O-CB 3.37Å; S454-R457 PolarHBondContact O-N 2.86Å; E455-R457 PolarHBondContact O-N 2.97Å; R457-Y459 HydrophobicContact CB-CE2 4.07Å; R457-Y459 HydrophobicContact CG-CE2 4.28Å; R457-Y459 WeakPolarHBondContact O-CD2 3.38Å; R457-Y459 WeakPolarHBondContact O-CE2 3.33Å; R457-Y459 PolarHBondContact O-N 3.39Å
458E65.6Low69.5Low137 Ų13795.8 Ų95.864%0.6447%0.472SS*.  trans-75.473.6166.6-65.5-146.3166.600110.3E455 M460E455-E458 WeakPolarHBondContact O-CB 3.27Å; E455-E458 PolarHBondContact O-N 3.27Å; E458-M460 PolarHBondContact O-N 3.4Å
459Y67.8Low69.7Low189 Ų18994.6 Ų94.674%0.74146%0.463SS*.  trans-68.818178.4-53.3-67.4000114.5R457R457-Y459 HydrophobicContact CB-CE2 4.07Å; R457-Y459 HydrophobicContact CG-CE2 4.28Å; R457-Y459 WeakPolarHBondContact O-CD2 3.38Å; R457-Y459 WeakPolarHBondContact O-CE2 3.33Å; R457-Y459 PolarHBondContact O-N 3.39Å
460M69.6Low69.8Low71 Ų7189 Ų8935%0.3544%0.435SS..  trans-110.2103.8-177.6-175.4175.4-61.500109E458 L499 R503E458-M460 PolarHBondContact O-N 3.4Å; M460-L499 HydrophobicContact CG-CD1 3.66Å; M460-L499 HydrophobicContact SD-CD1 4.14Å; M460-R503 HydrophobicContact SD-CG 4.29Å
461P75.9Confident70Confident44 Ų4485.1 Ų85.129%0.28642%0.418SS..  trans-63.1162179.129.1-36000111.1F466 L499P461-F466 HydrophobicContact CB-CB 4.36Å; P461-F466 HydrophobicContact CG-CB 4.08Å; P461-F466 HydrophobicContact CG-CD2 4.01Å; P461-F466 HydrophobicContact CG-CG 4.36Å; P461-L499 HydrophobicContact CG-CD2 4.46Å
462T77.3Confident70.1Confident57 Ų5789.6 Ų89.635%0.3544%0.436SS..  trans-67.3166.1172.2650000110.8E464 E465 F466T462-E464 PolarHBondContact O-N 2.93Å; T462-E465 WeakPolarHBondContact CG2-OE1 3.26Å; T462-E465 PolarHBondContact N-OE2 3.29Å; T462-E465 WeakPolarHBondContact OG1-CB 3.38Å; T462-E465 VanDerWaalsContact OG1-CG 3.23Å; T462-E465 WeakPolarHBondContact OG1-CG 3.47Å; T462-E465 PolarHBondContact OG1-N 3.49Å; T462-E465 PolarHBondContact OG1-OE1 2.88Å; T462-E465 VanDerWaalsContact OG1-OE1 3.08Å; T462-E465 PolarHBondContact OG1-OE2 3.42Å; T462-F466 WeakPolarHBondContact O-CB 3.31Å; T462-F466 PolarHBondContact O-N 3.49Å
463L70.9Confident70.2Confident32 Ų3287.6 Ų87.617%0.16842%0.419CS..Hα-helixtrans-67.6-25.8173.4-75.7173.3000111.5F467 L499 L500 R503L463-F467 HydrophobicContact CD2-CD2 4.18Å; L463-F467 HydrophobicContact CD2-CE2 3.86Å; L463-F467 WeakPolarHBondContact O-CB 3.43Å; L463-F467 VanDerWaalsContact O-CD2 3.29Å; L463-F467 WeakPolarHBondContact O-CD2 3.43Å; L463-F467 PolarHBondContact O-N 2.92Å; L463-L499 HydrophobicContact CD2-CD2 4.04Å; L463-L499 HydrophobicContact CD2-CG 3.87Å; L463-L500 HydrophobicContact CD2-CD2 4.01Å; L463-R503 HydrophobicContact CD1-CB 3.78Å; L463-R503 HydrophobicContact CD2-CB 4.2Å; L463-R503 HydrophobicContact CG-CB 3.83Å
464E69.8Low69.9Low126 Ų12681.8 Ų81.859%0.58940%0.401SS*.Hα-helixtrans-77.5-59-174.6-61.6167.7-171.100108.7T462 F466 F467 E468 L533T462-E464 PolarHBondContact O-N 2.93Å; E464-F466 VanDerWaalsContact C-N 3.27Å; E464-F466 PolarHBondContact O-N 3.19Å; E464-F466 VanDerWaalsContact O-N 3.17Å; E464-F467 PolarHBondContact O-N 3.04Å; E464-E468 PolarHBondContact O-N 3.02Å; E464-L533 HydrophobicContact CG-CD2 4.04Å
465E74.7Confident69.7Low121 Ų12183.4 Ų83.457%0.56541%0.406SS*.Hα-helixtrans-51.6-39.1174.2-68.8154.8-151.700114.1T462T462-E465 WeakPolarHBondContact CG2-OE1 3.26Å; T462-E465 PolarHBondContact N-OE2 3.29Å; T462-E465 WeakPolarHBondContact OG1-CB 3.38Å; T462-E465 VanDerWaalsContact OG1-CG 3.23Å; T462-E465 WeakPolarHBondContact OG1-CG 3.47Å; T462-E465 PolarHBondContact OG1-N 3.49Å; T462-E465 PolarHBondContact OG1-OE1 2.88Å; T462-E465 VanDerWaalsContact OG1-OE1 3.08Å; T462-E465 PolarHBondContact OG1-OE2 3.42Å
466F77.3Confident69.4Low26 Ų2680.8 Ų80.811%0.11440%0.404CS..Hα-helixtrans-80.2-26.4-175.1-173.9-93000113.3P461 T462 E464 Y492 R495 A496 L499P461-F466 HydrophobicContact CB-CB 4.36Å; P461-F466 HydrophobicContact CG-CB 4.08Å; P461-F466 HydrophobicContact CG-CD2 4.01Å; P461-F466 HydrophobicContact CG-CG 4.36Å; T462-F466 WeakPolarHBondContact O-CB 3.31Å; T462-F466 PolarHBondContact O-N 3.49Å; E464-F466 VanDerWaalsContact C-N 3.27Å; E464-F466 PolarHBondContact O-N 3.19Å; E464-F466 VanDerWaalsContact O-N 3.17Å; F466-Y492 HydrophobicContact CD1-CE2 4.4Å; F466-Y492 HydrophobicContact CE1-CD2 4.27Å; F466-Y492 HydrophobicContact CE1-CE1 4.4Å; F466-Y492 AromaticContact CE1-CE2 3.63Å; F466-Y492 HydrophobicContact CE1-CE2 3.63Å; F466-Y492 AromaticContact CE1-CZ 3.7Å; F466-Y492 HydrophobicContact CE2-CE2 4.18Å; F466-Y492 AromaticContact CZ-CD2 3.8Å; F466-Y492 HydrophobicContact CZ-CD2 3.8Å; F466-Y492 AromaticContact CZ-CE2 3.5Å; F466-Y492 HydrophobicContact CZ-CE2 3.5Å; F466-Y492 PolarHBondContact O-OH 3.47Å; F466-R495 HydrophobicContact CE2-CB 4.39Å; F466-R495 HydrophobicContact CZ-CB 3.8Å; F466-A496 HydrophobicContact CE1-CB 3.93Å; F466-L499 HydrophobicContact CB-CD2 3.58Å; F466-L499 HydrophobicContact CD1-CD2 3.72Å; F466-L499 HydrophobicContact CD2-CD2 4.47Å; F466-L499 HydrophobicContact CG-CD2 3.63Å
467F77.3Confident68.8Low1 Ų183.5 Ų83.50%0.00441%0.408CS..Hα-helixtrans-104.3-9-178.4-74.7-73.5000114L463 E464 E469 A470 I471 Y492 A496 L499 L500 V526 L529L463-F467 HydrophobicContact CD2-CD2 4.18Å; L463-F467 HydrophobicContact CD2-CE2 3.86Å; L463-F467 WeakPolarHBondContact O-CB 3.43Å; L463-F467 VanDerWaalsContact O-CD2 3.29Å; L463-F467 WeakPolarHBondContact O-CD2 3.43Å; L463-F467 PolarHBondContact O-N 2.92Å; E464-F467 PolarHBondContact O-N 3.04Å; F467-E469 PolarHBondContact O-N 2.89Å; F467-A470 HydrophobicContact CD1-CB 4.35Å; F467-A470 CarbonylContact O-C 3.59Å; F467-A470 WeakPolarHBondContact O-CA 3.41Å; F467-A470 WeakPolarHBondContact O-CB 3.45Å; F467-A470 PolarHBondContact O-N 3.4Å; F467-I471 HydrophobicContact CB-CD1 4.19Å; F467-I471 HydrophobicContact CB-CG1 4.44Å; F467-I471 VanDerWaalsContact O-CG1 3.31Å; F467-I471 WeakPolarHBondContact O-CG1 3.41Å; F467-I471 PolarHBondContact O-N 2.97Å; F467-Y492 WeakPolarHBondContact CD1-OH 3.25Å; F467-Y492 HydrophobicContact CE1-CE1 4.49Å; F467-A496 HydrophobicContact CE1-CB 3.68Å; F467-A496 HydrophobicContact CZ-CB 3.58Å; F467-L499 HydrophobicContact CE2-CD2 4.49Å; F467-L500 HydrophobicContact CE2-CD1 4.4Å; F467-L500 HydrophobicContact CE2-CD2 3.75Å; F467-L500 HydrophobicContact CE2-CG 3.86Å; F467-L500 HydrophobicContact CZ-CD1 3.76Å; F467-L500 HydrophobicContact CZ-CD2 3.95Å; F467-L500 HydrophobicContact CZ-CG 3.7Å; F467-V526 HydrophobicContact CD1-CG2 3.71Å; F467-V526 HydrophobicContact CE1-CG2 4.12Å; F467-L529 HydrophobicContact CD2-CD1 4.05Å; F467-L529 HydrophobicContact CE2-CD1 4.38Å; F467-L529 HydrophobicContact CG-CD1 4.36Å
468E72.9Confident68.6Low118 Ų11882.3 Ų82.355%0.55141%0.411SS*.Hα-helixtrans-42.5-59.8174.3-173.4170.1-143.400112.8E464 A470 I471 E472E464-E468 PolarHBondContact O-N 3.02Å; E468-A470 PolarHBondContact O-N 2.92Å; E468-A470 VanDerWaalsContact O-N 3.14Å; E468-I471 WeakPolarHBondContact O-CB 3.49Å; E468-I471 PolarHBondContact O-N 3.28Å; E468-E472 PolarHBondContact O-N 3.29Å
469E71Confident68Low107 Ų10783.9 Ų83.950%0.542%0.42SS..Hα-helixtrans-55-36177-169.6-162.9156.700112.8F467 Q473F467-E469 PolarHBondContact O-N 2.89Å; E469-Q473 WeakPolarHBondContact O-CB 3.48Å; E469-Q473 WeakPolarHBondContact O-CG 3.22Å; E469-Q473 PolarHBondContact O-N 3.21Å; E469-Q473 VanDerWaalsContact O-N 3.17Å; E469-Q473 PolarHBondContact OE1-NE2 2.81Å
470A68.6Low67.4Low3 Ų377.6 Ų77.63%0.02540%0.402CS..Hα-helixtrans-80.8-25179.300000113.3F467 E468 A474 V487 Y492 V526F467-A470 HydrophobicContact CD1-CB 4.35Å; F467-A470 CarbonylContact O-C 3.59Å; F467-A470 WeakPolarHBondContact O-CA 3.41Å; F467-A470 WeakPolarHBondContact O-CB 3.45Å; F467-A470 PolarHBondContact O-N 3.4Å; E468-A470 PolarHBondContact O-N 2.92Å; E468-A470 VanDerWaalsContact O-N 3.14Å; A470-A474 WeakPolarHBondContact O-CB 3.38Å; A470-A474 PolarHBondContact O-N 2.67Å; A470-V487 HydrophobicContact CB-CG2 4.12Å; A470-Y492 HydrophobicContact CB-CE1 4.17Å; A470-Y492 WeakPolarHBondContact CB-OH 3.46Å; A470-V526 HydrophobicContact CB-CG2 4.19Å; A470-V526 WeakPolarHBondContact O-CG1 3.5Å
471I70.1Confident66.7Low39 Ų3980.8 Ų80.820%0.242%0.416CS..Hα-helixtrans-73.8-47.5173.4-68.8166000109F467 E468 Q473 A474 D475 V526 A530 L533F467-I471 HydrophobicContact CB-CD1 4.19Å; F467-I471 HydrophobicContact CB-CG1 4.44Å; F467-I471 VanDerWaalsContact O-CG1 3.31Å; F467-I471 WeakPolarHBondContact O-CG1 3.41Å; F467-I471 PolarHBondContact O-N 2.97Å; E468-I471 WeakPolarHBondContact O-CB 3.49Å; E468-I471 PolarHBondContact O-N 3.28Å; I471-Q473 VanDerWaalsContact C-N 3.32Å; I471-Q473 PolarHBondContact O-N 3.36Å; I471-A474 WeakPolarHBondContact O-CB 3.22Å; I471-A474 PolarHBondContact O-N 3.34Å; I471-D475 PolarHBondContact O-N 3.01Å; I471-V526 HydrophobicContact CB-CG1 4.41Å; I471-V526 HydrophobicContact CG1-CG1 3.75Å; I471-A530 HydrophobicContact CG1-CB 4.25Å; I471-A530 HydrophobicContact CG2-CB 3.8Å; I471-L533 HydrophobicContact CD1-CD1 3.83Å
472E68.1Low66Low112 Ų11283.7 Ų83.752%0.52343%0.429SS..Hα-helixtrans-59.4-40.1174.8-67.8-176153.700112.5E468 A474 D475 N478E468-E472 PolarHBondContact O-N 3.29Å; E472-A474 PolarHBondContact O-N 2.83Å; E472-D475 PolarHBondContact O-N 3.24Å; E472-N478 PolarHBondContact O-ND2 3.06Å
473Q66.3Low65Low37 Ų3789 Ų8917%0.17345%0.45CS..THydrogen-bonded Turntrans-75-9.1175.3-70.3171.817.300114E469 I471 V480 K485E469-Q473 WeakPolarHBondContact O-CB 3.48Å; E469-Q473 WeakPolarHBondContact O-CG 3.22Å; E469-Q473 PolarHBondContact O-N 3.21Å; E469-Q473 VanDerWaalsContact O-N 3.17Å; E469-Q473 PolarHBondContact OE1-NE2 2.81Å; I471-Q473 VanDerWaalsContact C-N 3.32Å; I471-Q473 PolarHBondContact O-N 3.36Å; Q473-V480 HydrophobicContact CG-CG2 4.43Å; Q473-K485 WeakPolarHBondContact O-CE 3.18Å
474A61.9Low64.5Low41 Ų4195.5 Ų95.534%0.33947%0.473SS..THydrogen-bonded Turntrans-92.5-13.2173.400000112.9A470 I471 E472 V526A470-A474 WeakPolarHBondContact O-CB 3.38Å; A470-A474 PolarHBondContact O-N 2.67Å; I471-A474 WeakPolarHBondContact O-CB 3.22Å; I471-A474 PolarHBondContact O-N 3.34Å; E472-A474 PolarHBondContact O-N 2.83Å; A474-V526 HydrophobicContact CB-CG1 4.07Å
475D64.8Low64.4Low85 Ų8591.1 Ų91.146%0.45545%0.452SS..SBendtrans-73.9124.8176.8-159-46.3000111.4I471 E472 E477 N478I471-D475 PolarHBondContact O-N 3.01Å; E472-D475 PolarHBondContact O-N 3.24Å; D475-E477 PolarHBondContact O-N 2.72Å; D475-E477 VanDerWaalsContact O-N 3.15Å; D475-E477 PolarHBondContact OD1-N 3.46Å; D475-E477 VanDerWaalsContact OD1-N 3.16Å; D475-N478 PolarHBondContact O-N 3.5Å
476P58Low63.8Low114 Ų11485.9 Ų85.974%0.7443%0.43SS*.G310 helixtrans-58.3-21.1178.9-26.736.2000116.1
477E53.4Low63.2Low171 Ų17185 Ų8580%0.79943%0.426SS*.G310 helixtrans-75-26.4-178.8-62.9-158.2153.300113.4D475 M479D475-E477 PolarHBondContact O-N 2.72Å; D475-E477 VanDerWaalsContact O-N 3.15Å; D475-E477 PolarHBondContact OD1-N 3.46Å; D475-E477 VanDerWaalsContact OD1-N 3.16Å; E477-M479 VanDerWaalsContact C-N 3.27Å; E477-M479 PolarHBondContact O-N 2.95Å
478N58.6Low62.7Low98 Ų9888.6 Ų88.652%0.52445%0.446SS..G310 helixtrans-77.1-2.8-176.3-82.3-32000115.1E472 D475 V480E472-N478 PolarHBondContact O-ND2 3.06Å; D475-N478 PolarHBondContact O-N 3.5Å; N478-V480 HydrophobicContact CB-CG2 4.36Å; N478-V480 PolarHBondContact O-N 3.48Å
479M54.5Low62.9Low169 Ų16987.2 Ų87.283%0.83344%0.442SS*.  trans52.229.9170.2-68.8-76-177.400115.9E477E477-M479 VanDerWaalsContact C-N 3.27Å; E477-M479 PolarHBondContact O-N 2.95Å
480V53.9Low62.9Low58 Ų5885.8 Ų85.835%0.35244%0.444SS..  trans-77.8125.2180-176.80000111.2Q473 N478 K485Q473-V480 HydrophobicContact CG-CG2 4.43Å; N478-V480 HydrophobicContact CB-CG2 4.36Å; N478-V480 PolarHBondContact O-N 3.48Å; V480-K485 HydrophobicContact CG1-CG 4.44Å
481E55.9Low63.3Low137 Ų13791.5 Ų91.564%0.6447%0.474SS*.  trans-62.2134.3175.1-75.1-176.9168.700111.7E483 Y484E481-E483 PolarHBondContact O-N 3.24Å; E481-Y484 HydrophobicContact CB-CD2 4.02Å; E481-Y484 PolarHBondContact O-N 3.01Å
482N59.7Low63.8Low106 Ų10690.9 Ų90.957%0.56747%0.469SS*.G310 helixtrans-54.4-29.1-173.1-80-30.7000114.5Y484 K485 N488N482-Y484 VanDerWaalsContact C-N 3.27Å; N482-Y484 PolarHBondContact O-N 3.31Å; N482-K485 VanDerWaalsContact OD1-CE 3.3Å; N482-K485 WeakPolarHBondContact OD1-CE 3.5Å; N482-K485 PolarHBondContact OD1-NZ 3.37Å; N482-N488 PolarHBondContact O-ND2 2.82Å
483E58Low64.2Low167 Ų16785.6 Ų85.678%0.7845%0.445SS*.G310 helixtrans-68.8-22.9179.7-62.1-168.6165.900113.4E481E481-E483 PolarHBondContact O-N 3.24Å
484Y60.7Low64.8Low170 Ų17090.3 Ų90.367%0.66746%0.461SS*.G310 helixtrans-100.9-4.3-175.7-64.7-81000114.6E481 N482 A486E481-Y484 HydrophobicContact CB-CD2 4.02Å; E481-Y484 PolarHBondContact O-N 3.01Å; N482-Y484 VanDerWaalsContact C-N 3.27Å; N482-Y484 PolarHBondContact O-N 3.31Å; Y484-A486 PolarHBondContact O-N 3.43Å
485K65.9Low65.6Low33 Ų3396 Ų9614%0.14347%0.474CS..  trans-58.2133.3175.9-73176.7165.3175.10111.9Q473 V480 N482 V487 N488 E523Q473-K485 WeakPolarHBondContact O-CE 3.18Å; V480-K485 HydrophobicContact CG1-CG 4.44Å; N482-K485 VanDerWaalsContact OD1-CE 3.3Å; N482-K485 WeakPolarHBondContact OD1-CE 3.5Å; N482-K485 PolarHBondContact OD1-NZ 3.37Å; K485-V487 PolarHBondContact O-N 2.84Å; K485-N488 PolarHBondContact O-N 3.08Å; K485-E523 WeakPolarHBondContact CD-OE1 3.24Å; K485-E523 IonicContact NZ-OE1 2.82Å; K485-E523 PolarHBondContact NZ-OE1 2.61Å
486A62.7Low66.4Low11 Ų1192 Ų929%0.09145%0.453CS..G310 helixtrans-52-34.6177.700000112.7Y484 N488 N489 Y492Y484-A486 PolarHBondContact O-N 3.43Å; A486-N488 PolarHBondContact O-N 3Å; A486-N489 WeakPolarHBondContact O-CB 3.49Å; A486-N489 PolarHBondContact O-N 3.47Å; A486-Y492 HydrophobicContact CB-CD1 4.1Å; A486-Y492 HydrophobicContact CB-CD2 4.47Å; A486-Y492 HydrophobicContact CB-CE1 4.16Å; A486-Y492 HydrophobicContact CB-CG 4.27Å; A486-Y492 WeakPolarHBondContact O-CB 3.43Å; A486-Y492 VanDerWaalsContact O-CD1 3.24Å; A486-Y492 WeakPolarHBondContact O-CD1 3.41Å
487V65.8Low67.3Low8 Ų888.5 Ų88.55%0.04843%0.428CS..G310 helixtrans-60.1-28.2177.7-179.80000113.7A470 K485 P519 L522 E523A470-V487 HydrophobicContact CB-CG2 4.12Å; K485-V487 PolarHBondContact O-N 2.84Å; V487-P519 HydrophobicContact CG1-CB 4.05Å; V487-P519 WeakPolarHBondContact CG1-O 3.36Å; V487-L522 HydrophobicContact CG1-CB 3.48Å; V487-L522 VanDerWaalsContact CG1-CB 3.48Å; V487-L522 HydrophobicContact CG1-CD1 4.35Å; V487-E523 HydrophobicContact CB-CG 4.35Å; V487-E523 HydrophobicContact CG1-CG 3.86Å
488N65.6Low68.6Low77 Ų7788.4 Ų88.441%0.41242%0.42SS..G310 helixtrans-82.6-13.8175.7-80.4-41.1000113.5N482 K485 A486 S490 P519N482-N488 PolarHBondContact O-ND2 2.82Å; K485-N488 PolarHBondContact O-N 3.08Å; A486-N488 PolarHBondContact O-N 3Å; N488-S490 PolarHBondContact O-N 2.97Å; N488-P519 WeakPolarHBondContact OD1-CB 3.47Å; N488-P519 VanDerWaalsContact OD1-CG 3.25Å; N488-P519 WeakPolarHBondContact OD1-CG 3.48Å
489N76.9Confident69.7Low88 Ų8884.3 Ų84.347%0.47140%0.398SS..  trans-74.6115.4174.9-177-21000110.4A486 N491 Y492 G493A486-N489 WeakPolarHBondContact O-CB 3.49Å; A486-N489 PolarHBondContact O-N 3.47Å; N489-N491 PolarHBondContact O-N 2.82Å; N489-N491 VanDerWaalsContact O-N 3.15Å; N489-N491 PolarHBondContact OD1-N 3.25Å; N489-N491 VanDerWaalsContact OD1-N 3.09Å; N489-Y492 PolarHBondContact O-N 3.35Å; N489-G493 PolarHBondContact O-N 3.1Å
490S71.3Confident70.8Confident78 Ų7876.3 Ų76.355%0.54536%0.358SS..Hα-helixtrans-55.2-36.7-176.5-164.80000113.7N488 W494N488-S490 PolarHBondContact O-N 2.97Å; S490-W494 WeakPolarHBondContact O-CB 3.44Å; S490-W494 VanDerWaalsContact O-CD1 3.27Å; S490-W494 PolarHBondContact O-N 3.31Å
491N77.6Confident72Confident123 Ų12375.1 Ų75.166%0.65836%0.355SS*.Hα-helixtrans-71.6-37.5178.7-75-29.9000112.4N489 R495N489-N491 PolarHBondContact O-N 2.82Å; N489-N491 VanDerWaalsContact O-N 3.15Å; N489-N491 PolarHBondContact OD1-N 3.25Å; N489-N491 VanDerWaalsContact OD1-N 3.09Å; N491-R495 WeakPolarHBondContact O-CG 3.36Å; N491-R495 PolarHBondContact O-N 3.01Å
492Y80Confident72.9Confident25 Ų2577.9 Ų77.910%0.09836%0.36CS..Hα-helixtrans-66.5-49.9173.7-178.2-93.4000109.8F466 F467 A470 A486 N489 W494 R495 A496F466-Y492 HydrophobicContact CD1-CE2 4.4Å; F466-Y492 HydrophobicContact CE1-CD2 4.27Å; F466-Y492 HydrophobicContact CE1-CE1 4.4Å; F466-Y492 AromaticContact CE1-CE2 3.63Å; F466-Y492 HydrophobicContact CE1-CE2 3.63Å; F466-Y492 AromaticContact CE1-CZ 3.7Å; F466-Y492 HydrophobicContact CE2-CE2 4.18Å; F466-Y492 AromaticContact CZ-CD2 3.8Å; F466-Y492 HydrophobicContact CZ-CD2 3.8Å; F466-Y492 AromaticContact CZ-CE2 3.5Å; F466-Y492 HydrophobicContact CZ-CE2 3.5Å; F466-Y492 PolarHBondContact O-OH 3.47Å; F467-Y492 WeakPolarHBondContact CD1-OH 3.25Å; F467-Y492 HydrophobicContact CE1-CE1 4.49Å; A470-Y492 HydrophobicContact CB-CE1 4.17Å; A470-Y492 WeakPolarHBondContact CB-OH 3.46Å; A486-Y492 HydrophobicContact CB-CD1 4.1Å; A486-Y492 HydrophobicContact CB-CD2 4.47Å; A486-Y492 HydrophobicContact CB-CE1 4.16Å; A486-Y492 HydrophobicContact CB-CG 4.27Å; A486-Y492 WeakPolarHBondContact O-CB 3.43Å; A486-Y492 VanDerWaalsContact O-CD1 3.24Å; A486-Y492 WeakPolarHBondContact O-CD1 3.41Å; N489-Y492 PolarHBondContact O-N 3.35Å; Y492-W494 VanDerWaalsContact C-N 3.32Å; Y492-W494 PolarHBondContact O-N 3.46Å; Y492-R495 WeakPolarHBondContact O-CB 3.16Å; Y492-R495 PolarHBondContact O-N 3.14Å; Y492-A496 HydrophobicContact CE1-CB 4.39Å; Y492-A496 WeakPolarHBondContact O-CB 3.46Å; Y492-A496 PolarHBondContact O-N 3.25Å
493G77.3Confident73.6Confident1 Ų179 Ų791%0.0136%0.356CS..Hα-helixtrans-58.5-37.517900000114.3N489 L497 L522N489-G493 PolarHBondContact O-N 3.1Å; G493-L497 WeakPolarHBondContact O-CB 3.29Å; G493-L497 PolarHBondContact O-N 3.17Å; G493-L522 VanDerWaalsContact CA-CD1 3.43Å
494W78Confident74.3Confident136 Ų13671.6 Ų71.652%0.51532%0.322SS..Hα-helixtrans-69.8-31.3173.7-91.7107.6000114S490 Y492 R498S490-W494 WeakPolarHBondContact O-CB 3.44Å; S490-W494 VanDerWaalsContact O-CD1 3.27Å; S490-W494 PolarHBondContact O-N 3.31Å; Y492-W494 VanDerWaalsContact C-N 3.32Å; Y492-W494 PolarHBondContact O-N 3.46Å; W494-R498 WeakPolarHBondContact O-CG 3.28Å; W494-R498 PolarHBondContact O-N 3.21Å
495R79.4Confident74.6Confident162 Ų16268.3 Ų68.361%0.61132%0.322SS*.Hα-helixtrans-73.9-48.6173.8-71.717369.4-173.60.4110.4F466 N491 Y492 L497 R498 L499F466-R495 HydrophobicContact CE2-CB 4.39Å; F466-R495 HydrophobicContact CZ-CB 3.8Å; N491-R495 WeakPolarHBondContact O-CG 3.36Å; N491-R495 PolarHBondContact O-N 3.01Å; Y492-R495 WeakPolarHBondContact O-CB 3.16Å; Y492-R495 PolarHBondContact O-N 3.14Å; R495-L497 PolarHBondContact O-N 3.44Å; R495-R498 PolarHBondContact O-N 2.97Å; R495-R498 VanDerWaalsContact O-N 3.15Å; R495-L499 PolarHBondContact O-N 3.49Å
496A80.3Confident74.5Confident0 Ų069.8 Ų69.80%033%0.329CS..Hα-helixtrans-49-53.9173.400000111.8F466 F467 Y492 R498 L499 L500 L522F466-A496 HydrophobicContact CE1-CB 3.93Å; F467-A496 HydrophobicContact CE1-CB 3.68Å; F467-A496 HydrophobicContact CZ-CB 3.58Å; Y492-A496 HydrophobicContact CE1-CB 4.39Å; Y492-A496 WeakPolarHBondContact O-CB 3.46Å; Y492-A496 PolarHBondContact O-N 3.25Å; A496-R498 VanDerWaalsContact C-N 3.31Å; A496-R498 PolarHBondContact O-N 3.43Å; A496-L499 PolarHBondContact O-N 2.79Å; A496-L499 VanDerWaalsContact O-N 3.16Å; A496-L500 WeakPolarHBondContact O-CB 3.44Å; A496-L500 VanDerWaalsContact O-CG 3.29Å; A496-L500 WeakPolarHBondContact O-CG 3.45Å; A496-L500 PolarHBondContact O-N 2.83Å; A496-L522 HydrophobicContact CB-CD1 4.17Å; A496-L522 HydrophobicContact CB-CD2 3.85Å
497L77.8Confident74.9Confident41 Ų4171.6 Ų71.622%0.21534%0.335CS..Hα-helixtrans-59.8-38.6-179.1-165.577.1000112.8G493 R495 A501 F507 L518 Y521G493-L497 WeakPolarHBondContact O-CB 3.29Å; G493-L497 PolarHBondContact O-N 3.17Å; R495-L497 PolarHBondContact O-N 3.44Å; L497-A501 VanDerWaalsContact O-CB 3.27Å; L497-A501 WeakPolarHBondContact O-CB 3.43Å; L497-A501 PolarHBondContact O-N 3.3Å; L497-F507 HydrophobicContact CD1-CE2 3.67Å; L497-F507 HydrophobicContact CD1-CZ 4.09Å; L497-F507 HydrophobicContact CG-CE2 4.14Å; L497-F507 HydrophobicContact CG-CZ 4.28Å; L497-L518 HydrophobicContact CD1-CD1 3.89Å; L497-L518 HydrophobicContact CD2-CD1 4.27Å; L497-L518 HydrophobicContact CG-CD1 4.47Å; L497-Y521 HydrophobicContact CD1-CD1 4.01Å; L497-Y521 HydrophobicContact CD1-CE1 3.71Å
498R80.3Confident75.1Confident168 Ų16879 Ų7963%0.63437%0.367SS*.Hα-helixtrans-73.3-30.6178.5-72.9176.8-178.2176.74.5113.3W494 R495 A496W494-R498 WeakPolarHBondContact O-CG 3.28Å; W494-R498 PolarHBondContact O-N 3.21Å; R495-R498 PolarHBondContact O-N 2.97Å; R495-R498 VanDerWaalsContact O-N 3.15Å; A496-R498 VanDerWaalsContact C-N 3.31Å; A496-R498 PolarHBondContact O-N 3.43Å
499L81.5Confident75.2Confident13 Ų1380 Ų807%0.06837%0.369CS..Hα-helixtrans-73.5-48.3175.3-169.965.5000110.2M460 P461 L463 F466 F467 R495 A496 A501 R502 R503M460-L499 HydrophobicContact CG-CD1 3.66Å; M460-L499 HydrophobicContact SD-CD1 4.14Å; P461-L499 HydrophobicContact CG-CD2 4.46Å; L463-L499 HydrophobicContact CD2-CD2 4.04Å; L463-L499 HydrophobicContact CD2-CG 3.87Å; F466-L499 HydrophobicContact CB-CD2 3.58Å; F466-L499 HydrophobicContact CD1-CD2 3.72Å; F466-L499 HydrophobicContact CD2-CD2 4.47Å; F466-L499 HydrophobicContact CG-CD2 3.63Å; F467-L499 HydrophobicContact CE2-CD2 4.49Å; R495-L499 PolarHBondContact O-N 3.49Å; A496-L499 PolarHBondContact O-N 2.79Å; A496-L499 VanDerWaalsContact O-N 3.16Å; L499-A501 PolarHBondContact O-N 2.93Å; L499-R502 PolarHBondContact O-N 3.18Å; L499-R503 HydrophobicContact CD1-CG 4.36Å; L499-R503 PolarHBondContact O-N 2.94Å
500L77.8Confident74.3Confident0 Ų082.1 Ų82.10%039%0.388CS..Hα-helixtrans-55.8-46.7174.6-69.2167.9000111.8L463 F467 A496 R502 S504 F507 L522 M525 L529L463-L500 HydrophobicContact CD2-CD2 4.01Å; F467-L500 HydrophobicContact CE2-CD1 4.4Å; F467-L500 HydrophobicContact CE2-CD2 3.75Å; F467-L500 HydrophobicContact CE2-CG 3.86Å; F467-L500 HydrophobicContact CZ-CD1 3.76Å; F467-L500 HydrophobicContact CZ-CD2 3.95Å; F467-L500 HydrophobicContact CZ-CG 3.7Å; A496-L500 WeakPolarHBondContact O-CB 3.44Å; A496-L500 VanDerWaalsContact O-CG 3.29Å; A496-L500 WeakPolarHBondContact O-CG 3.45Å; A496-L500 PolarHBondContact O-N 2.83Å; L500-R502 PolarHBondContact O-N 3.05Å; L500-S504 WeakPolarHBondContact O-CA 3.46Å; L500-S504 VanDerWaalsContact O-CB 3.24Å; L500-S504 WeakPolarHBondContact O-CB 3.44Å; L500-S504 PolarHBondContact O-N 3.38Å; L500-F507 HydrophobicContact CB-CD2 3.86Å; L500-F507 HydrophobicContact CB-CE2 4.36Å; L500-L522 HydrophobicContact CD1-CD2 3.63Å; L500-M525 HydrophobicContact CD1-CB 4.45Å; L500-M525 HydrophobicContact CD1-CG 3.93Å; L500-M525 HydrophobicContact CD2-CE 4.09Å; L500-M525 HydrophobicContact CD2-CG 3.9Å; L500-L529 HydrophobicContact CD2-CD1 4.02Å
501A78.6Confident73.7Confident34 Ų3481.5 Ų81.528%0.28138%0.38SS..Hα-helixtrans-62-15.3178.700000115.1L497 L499 F507L497-A501 VanDerWaalsContact O-CB 3.27Å; L497-A501 WeakPolarHBondContact O-CB 3.43Å; L497-A501 PolarHBondContact O-N 3.3Å; L499-A501 PolarHBondContact O-N 2.93Å; A501-F507 HydrophobicContact CB-CD1 3.78Å; A501-F507 HydrophobicContact CB-CD2 4.26Å; A501-F507 HydrophobicContact CB-CE1 3.56Å; A501-F507 HydrophobicContact CB-CE2 4.06Å; A501-F507 HydrophobicContact CB-CG 4.13Å; A501-F507 HydrophobicContact CB-CZ 3.72Å
502R75.8Confident72.7Confident195 Ų19584 Ų8474%0.73639%0.394SS*.Hα-helixtrans-107.6-38179.9-81.2-176.3140.4118.4-3.6114.2L499 L500L499-R502 PolarHBondContact O-N 3.18Å; L500-R502 PolarHBondContact O-N 3.05Å
503R74.1Confident71.8Confident130 Ų13089.2 Ų89.249%0.49142%0.419SS..Hα-helixtrans-106.9-25.1-173.6-68.6-74.4-166.7156.53.7113.4M460 L463 L499M460-R503 HydrophobicContact SD-CG 4.29Å; L463-R503 HydrophobicContact CD1-CB 3.78Å; L463-R503 HydrophobicContact CD2-CB 4.2Å; L463-R503 HydrophobicContact CG-CB 3.83Å; L499-R503 HydrophobicContact CD1-CG 4.36Å; L499-R503 PolarHBondContact O-N 2.94Å
504S72.6Confident70.9Confident10 Ų1098 Ų987%0.0746%0.46CS..  trans-89.2120.8-178-174.70000111.9L500 H506 F507 M525L500-S504 WeakPolarHBondContact O-CA 3.46Å; L500-S504 VanDerWaalsContact O-CB 3.24Å; L500-S504 WeakPolarHBondContact O-CB 3.44Å; L500-S504 PolarHBondContact O-N 3.38Å; S504-H506 PolarHBondContact O-N 2.84Å; S504-H506 PolarHBondContact OG-N 2.9Å; S504-F507 PolarHBondContact O-N 3.23Å; S504-M525 WeakPolarHBondContact OG-CE 3.27Å
505P66.6Low70.1Confident101 Ų10195 Ų9566%0.65645%0.451SS*.THydrogen-bonded Turntrans-68.3-15.6174.228.4-33.4000112.8
506H64.8Low69.2Low64 Ų6496.5 Ų96.530%0.29646%0.462SS..THydrogen-bonded Turntrans-84.8-11.4-178.6-62.3-76.4000113.7S504 F508 Q509 M525 E532S504-H506 PolarHBondContact O-N 2.84Å; S504-H506 PolarHBondContact OG-N 2.9Å; H506-F508 PolarHBondContact O-N 3.24Å; H506-Q509 PolarHBondContact ND1-NE2 3.41Å; H506-Q509 VanDerWaalsContact ND1-NE2 3.13Å; H506-Q509 PolarHBondContact ND1-OE1 2.87Å; H506-Q509 PolarHBondContact O-N 3.33Å; H506-M525 HydrophobicContact CB-CE 3.84Å; H506-E532 IonicContact NE2-OE1 2.69Å
507F70.8Confident68.8Low49 Ų4998.6 Ų98.622%0.21548%0.476CS..THydrogen-bonded Turntrans-62.4-38.3-174.7-171.9-95.6000113.9L497 L500 A501 S504 Y521L497-F507 HydrophobicContact CD1-CE2 3.67Å; L497-F507 HydrophobicContact CD1-CZ 4.09Å; L497-F507 HydrophobicContact CG-CE2 4.14Å; L497-F507 HydrophobicContact CG-CZ 4.28Å; L500-F507 HydrophobicContact CB-CD2 3.86Å; L500-F507 HydrophobicContact CB-CE2 4.36Å; A501-F507 HydrophobicContact CB-CD1 3.78Å; A501-F507 HydrophobicContact CB-CD2 4.26Å; A501-F507 HydrophobicContact CB-CE1 3.56Å; A501-F507 HydrophobicContact CB-CE2 4.06Å; A501-F507 HydrophobicContact CB-CG 4.13Å; A501-F507 HydrophobicContact CB-CZ 3.72Å; S504-F507 PolarHBondContact O-N 3.23Å; F507-Y521 VanDerWaalsContact CD2-OH 3.27Å; F507-Y521 WeakPolarHBondContact CD2-OH 3.42Å; F507-Y521 HydrophobicContact CE2-CE1 4.26Å
508F68.9Low68.6Low164 Ų16499.2 Ų99.272%0.71948%0.479SS*.THydrogen-bonded Turntrans-96.312.5-177.7-67.2-73.4000114H506H506-F508 PolarHBondContact O-N 3.24Å
509Q68.5Low68.2Low99 Ų9992.6 Ų92.646%0.46346%0.458SS..SBendtrans-71.1131.8179.3-70.7-173.8-12.800111.3H506 T511H506-Q509 PolarHBondContact ND1-NE2 3.41Å; H506-Q509 VanDerWaalsContact ND1-NE2 3.13Å; H506-Q509 PolarHBondContact ND1-OE1 2.87Å; H506-Q509 PolarHBondContact O-N 3.33Å; Q509-T511 PolarHBondContact O-N 3.22Å; Q509-T511 PolarHBondContact O-OG1 3.43Å; Q509-T511 VanDerWaalsContact O-OG1 3.1Å
510P57.8Low67.8Low132 Ų13296.2 Ų96.286%0.85748%0.475SS*.  trans-64.293.9-180-19.431.5000111.6
511T59.7Low67.6Low64 Ų6498 Ų9839%0.39348%0.482SS..  trans-95119.1-178.6-50.80000108.9Q509 Q513 F515Q509-T511 PolarHBondContact O-N 3.22Å; Q509-T511 PolarHBondContact O-OG1 3.43Å; Q509-T511 VanDerWaalsContact O-OG1 3.1Å; T511-Q513 HydrophobicContact CG2-CB 4.18Å; T511-Q513 PolarHBondContact O-N 3.48Å; T511-F515 HydrophobicContact CG2-CE2 4.11Å; T511-F515 HydrophobicContact CG2-CZ 4.1Å
512N56.3Low67.3Low176 Ų17696.5 Ų96.594%0.94147%0.469SS*.SBendtrans-70.97.1179.7-80.8-32.1000114.3
513Q61.2Low67.1Low134 Ų13490.1 Ų90.163%0.62645%0.447SS*.  trans-98.7121.2173.3-74.5174-35.900110T511 F515T511-Q513 HydrophobicContact CG2-CB 4.18Å; T511-Q513 PolarHBondContact O-N 3.48Å; Q513-F515 HydrophobicContact CB-CZ 4.47Å; Q513-F515 PolarHBondContact O-N 2.88Å
514Q58.3Low67.1Low186 Ų18687.8 Ų87.887%0.86945%0.445SS*.  trans-77.4101166.6-68.8-179-7.500108.9K516Q514-K516 PolarHBondContact O-N 3.3Å
515F60Low67Low74 Ų7487.8 Ų87.833%0.32544%0.444SS..  trans-63.6130.3172-59.5-80000110T511 Q513 Y521T511-F515 HydrophobicContact CG2-CE2 4.11Å; T511-F515 HydrophobicContact CG2-CZ 4.1Å; Q513-F515 HydrophobicContact CB-CZ 4.47Å; Q513-F515 PolarHBondContact O-N 2.88Å; F515-Y521 AromaticContact CD1-CD2 3.97Å; F515-Y521 HydrophobicContact CD1-CD2 3.97Å; F515-Y521 AromaticContact CD2-CD2 3.61Å; F515-Y521 HydrophobicContact CD2-CD2 3.61Å; F515-Y521 HydrophobicContact CD2-CE2 4.26Å; F515-Y521 AromaticContact CE1-CD2 3.98Å; F515-Y521 HydrophobicContact CE1-CD2 3.98Å; F515-Y521 AromaticContact CE2-CD2 3.63Å; F515-Y521 HydrophobicContact CE2-CD2 3.63Å; F515-Y521 AromaticContact CE2-CE2 3.97Å; F515-Y521 HydrophobicContact CE2-CE2 3.97Å; F515-Y521 AromaticContact CG-CD2 3.79Å; F515-Y521 HydrophobicContact CG-CD2 3.79Å; F515-Y521 HydrophobicContact CG-CG 4.38Å; F515-Y521 AromaticContact CZ-CD2 3.82Å; F515-Y521 HydrophobicContact CZ-CD2 3.82Å; F515-Y521 HydrophobicContact CZ-CE2 4.29Å
516K61.9Low67.3Low193 Ų19383 Ų8384%0.83941%0.413SS*.  trans-93.4-28.7-175.2-69-178.7-179174.70113.1Q514Q514-K516 PolarHBondContact O-N 3.3Å
517S71.9Confident67.6Low43 Ų4383.6 Ų83.630%0.30142%0.417SS..SBendtrans-133.7152.8175.776.70000111.6E520 Y521S517-E520 WeakPolarHBondContact CB-OE1 3.45Å; S517-E520 VanDerWaalsContact OG-CG 3.24Å; S517-E520 WeakPolarHBondContact OG-CG 3.34Å; S517-E520 PolarHBondContact OG-N 3.44Å; S517-E520 PolarHBondContact OG-OE1 3.03Å; S517-Y521 PolarHBondContact O-N 2.96Å
518L72.3Confident67.7Low54 Ų5486.5 Ų86.528%0.28343%0.43SS..Hα-helixtrans-63.5-39.8177.5177.163.5000112.7L497 Y521 L522L497-L518 HydrophobicContact CD1-CD1 3.89Å; L497-L518 HydrophobicContact CD2-CD1 4.27Å; L497-L518 HydrophobicContact CG-CD1 4.47Å; L518-Y521 PolarHBondContact O-N 3.27Å; L518-L522 HydrophobicContact CD1-CD1 3.98Å; L518-L522 HydrophobicContact CD1-CG 4.11Å; L518-L522 HydrophobicContact CG-CD1 3.93Å; L518-L522 HydrophobicContact CG-CG 4.47Å; L518-L522 WeakPolarHBondContact O-CG 3.31Å; L518-L522 PolarHBondContact O-N 3.19Å; L518-L522 VanDerWaalsContact O-N 3.09Å
519P73.1Confident67.8Low30 Ų3079.9 Ų79.920%0.19540%0.402CS..Hα-helixtrans-62-44.4176.4-25.736.9000113.3V487 N488 Y521 L522 E523V487-P519 HydrophobicContact CG1-CB 4.05Å; V487-P519 WeakPolarHBondContact CG1-O 3.36Å; N488-P519 WeakPolarHBondContact OD1-CB 3.47Å; N488-P519 VanDerWaalsContact OD1-CG 3.25Å; N488-P519 WeakPolarHBondContact OD1-CG 3.48Å; P519-Y521 VanDerWaalsContact C-N 3.27Å; P519-Y521 PolarHBondContact O-N 2.98Å; P519-L522 PolarHBondContact O-N 2.97Å; P519-L522 VanDerWaalsContact O-N 3.1Å; P519-E523 PolarHBondContact O-N 3.43Å
520E71.8Confident67.6Low89 Ų8977.1 Ų77.142%0.41640%0.396SS..Hα-helixtrans-57.8-38.9176.4-74.7159.3-127.800112.3S517 N524S517-E520 WeakPolarHBondContact CB-OE1 3.45Å; S517-E520 VanDerWaalsContact OG-CG 3.24Å; S517-E520 WeakPolarHBondContact OG-CG 3.34Å; S517-E520 PolarHBondContact OG-N 3.44Å; S517-E520 PolarHBondContact OG-OE1 3.03Å; E520-N524 PolarHBondContact O-N 3.48Å; E520-N524 PolarHBondContact O-ND2 3.36Å
521Y73.9Confident68Low38 Ų3878.7 Ų78.715%0.14939%0.389CS..Hα-helixtrans-65.7-44.8175.9173.3-102.9000111.6L497 F507 F515 S517 L518 P519 N524 M525L497-Y521 HydrophobicContact CD1-CD1 4.01Å; L497-Y521 HydrophobicContact CD1-CE1 3.71Å; F507-Y521 VanDerWaalsContact CD2-OH 3.27Å; F507-Y521 WeakPolarHBondContact CD2-OH 3.42Å; F507-Y521 HydrophobicContact CE2-CE1 4.26Å; F515-Y521 AromaticContact CD1-CD2 3.97Å; F515-Y521 HydrophobicContact CD1-CD2 3.97Å; F515-Y521 AromaticContact CD2-CD2 3.61Å; F515-Y521 HydrophobicContact CD2-CD2 3.61Å; F515-Y521 HydrophobicContact CD2-CE2 4.26Å; F515-Y521 AromaticContact CE1-CD2 3.98Å; F515-Y521 HydrophobicContact CE1-CD2 3.98Å; F515-Y521 AromaticContact CE2-CD2 3.63Å; F515-Y521 HydrophobicContact CE2-CD2 3.63Å; F515-Y521 AromaticContact CE2-CE2 3.97Å; F515-Y521 HydrophobicContact CE2-CE2 3.97Å; F515-Y521 AromaticContact CG-CD2 3.79Å; F515-Y521 HydrophobicContact CG-CD2 3.79Å; F515-Y521 HydrophobicContact CG-CG 4.38Å; F515-Y521 AromaticContact CZ-CD2 3.82Å; F515-Y521 HydrophobicContact CZ-CD2 3.82Å; F515-Y521 HydrophobicContact CZ-CE2 4.29Å; S517-Y521 PolarHBondContact O-N 2.96Å; L518-Y521 PolarHBondContact O-N 3.27Å; P519-Y521 VanDerWaalsContact C-N 3.27Å; P519-Y521 PolarHBondContact O-N 2.98Å; Y521-N524 PolarHBondContact O-N 3.5Å; Y521-M525 WeakPolarHBondContact O-CB 3.47Å; Y521-M525 PolarHBondContact O-N 3.17Å
522L72.1Confident68.2Low1 Ų181.8 Ų81.81%0.00540%0.399CS..Hα-helixtrans-70.7-41.4-177.6-71.9174000112.5V487 G493 A496 L500 L518 P519 N524 M525 V526V487-L522 HydrophobicContact CG1-CB 3.48Å; V487-L522 VanDerWaalsContact CG1-CB 3.48Å; V487-L522 HydrophobicContact CG1-CD1 4.35Å; G493-L522 VanDerWaalsContact CA-CD1 3.43Å; A496-L522 HydrophobicContact CB-CD1 4.17Å; A496-L522 HydrophobicContact CB-CD2 3.85Å; L500-L522 HydrophobicContact CD1-CD2 3.63Å; L518-L522 HydrophobicContact CD1-CD1 3.98Å; L518-L522 HydrophobicContact CD1-CG 4.11Å; L518-L522 HydrophobicContact CG-CD1 3.93Å; L518-L522 HydrophobicContact CG-CG 4.47Å; L518-L522 WeakPolarHBondContact O-CG 3.31Å; L518-L522 PolarHBondContact O-N 3.19Å; L518-L522 VanDerWaalsContact O-N 3.09Å; P519-L522 PolarHBondContact O-N 2.97Å; P519-L522 VanDerWaalsContact O-N 3.1Å; L522-N524 VanDerWaalsContact C-N 3.32Å; L522-N524 PolarHBondContact O-N 2.78Å; L522-M525 PolarHBondContact O-N 2.89Å; L522-M525 VanDerWaalsContact O-N 3.07Å; L522-V526 WeakPolarHBondContact O-CB 3.44Å; L522-V526 VanDerWaalsContact O-CG2 3.29Å; L522-V526 WeakPolarHBondContact O-CG2 3.27Å; L522-V526 PolarHBondContact O-N 3.47Å
523E72.8Confident68.2Low61 Ų6176.4 Ų76.429%0.28537%0.37SS..Hα-helixtrans-57.8-45.5173.3-73.9-168.8137.200110.8K485 V487 P519 M525 V526 I527K485-E523 WeakPolarHBondContact CD-OE1 3.24Å; K485-E523 IonicContact NZ-OE1 2.82Å; K485-E523 PolarHBondContact NZ-OE1 2.61Å; V487-E523 HydrophobicContact CB-CG 4.35Å; V487-E523 HydrophobicContact CG1-CG 3.86Å; P519-E523 PolarHBondContact O-N 3.43Å; E523-M525 VanDerWaalsContact C-N 3.27Å; E523-M525 PolarHBondContact O-N 3.33Å; E523-V526 PolarHBondContact O-N 3.12Å; E523-I527 WeakPolarHBondContact O-CB 3.36Å; E523-I527 WeakPolarHBondContact O-CD1 3.46Å; E523-I527 VanDerWaalsContact O-CG1 3.22Å; E523-I527 WeakPolarHBondContact O-CG1 3.31Å; E523-I527 PolarHBondContact O-N 3.35Å
524N73.5Confident67.4Low81 Ų8175 Ų7543%0.43337%0.372SS..Hα-helixtrans-64.6-29176.1-81-70.5000113.5E520 Y521 L522 K528E520-N524 PolarHBondContact O-N 3.48Å; E520-N524 PolarHBondContact O-ND2 3.36Å; Y521-N524 PolarHBondContact O-N 3.5Å; L522-N524 VanDerWaalsContact C-N 3.32Å; L522-N524 PolarHBondContact O-N 2.78Å; N524-K528 WeakPolarHBondContact O-CG 3.29Å; N524-K528 PolarHBondContact O-N 3.35Å
525M71.3Confident66.4Low10 Ų1071.9 Ų71.95%0.04937%0.368CS..Hα-helixtrans-78.5-41.6177.2-16070.6171.300111.5L500 S504 H506 Y521 L522 E523 K528 L529L500-M525 HydrophobicContact CD1-CB 4.45Å; L500-M525 HydrophobicContact CD1-CG 3.93Å; L500-M525 HydrophobicContact CD2-CE 4.09Å; L500-M525 HydrophobicContact CD2-CG 3.9Å; S504-M525 WeakPolarHBondContact OG-CE 3.27Å; H506-M525 HydrophobicContact CB-CE 3.84Å; Y521-M525 WeakPolarHBondContact O-CB 3.47Å; Y521-M525 PolarHBondContact O-N 3.17Å; L522-M525 PolarHBondContact O-N 2.89Å; L522-M525 VanDerWaalsContact O-N 3.07Å; E523-M525 VanDerWaalsContact C-N 3.27Å; E523-M525 PolarHBondContact O-N 3.33Å; M525-K528 WeakPolarHBondContact O-CB 3.45Å; M525-K528 PolarHBondContact O-N 3.28Å; M525-K528 VanDerWaalsContact O-N 3.13Å; M525-L529 HydrophobicContact CG-CD1 4.5Å; M525-L529 WeakPolarHBondContact O-CG 3.17Å; M525-L529 PolarHBondContact O-N 3.21Å
526V72.4Confident65.3Low1 Ų174.4 Ų74.41%0.00639%0.392CS..Hα-helixtrans-58.8-46.4173.11660000110.5F467 A470 I471 A474 L522 E523 K528 L529 A530F467-V526 HydrophobicContact CD1-CG2 3.71Å; F467-V526 HydrophobicContact CE1-CG2 4.12Å; A470-V526 HydrophobicContact CB-CG2 4.19Å; A470-V526 WeakPolarHBondContact O-CG1 3.5Å; I471-V526 HydrophobicContact CB-CG1 4.41Å; I471-V526 HydrophobicContact CG1-CG1 3.75Å; A474-V526 HydrophobicContact CB-CG1 4.07Å; L522-V526 WeakPolarHBondContact O-CB 3.44Å; L522-V526 VanDerWaalsContact O-CG2 3.29Å; L522-V526 WeakPolarHBondContact O-CG2 3.27Å; L522-V526 PolarHBondContact O-N 3.47Å; E523-V526 PolarHBondContact O-N 3.12Å; V526-K528 PolarHBondContact O-N 3.47Å; V526-L529 PolarHBondContact O-N 3.24Å; V526-A530 VanDerWaalsContact O-CB 3.3Å; V526-A530 WeakPolarHBondContact O-CB 3.44Å; V526-A530 PolarHBondContact O-N 2.88Å
527I72.1Confident63.9Low76 Ų7670.8 Ų70.839%0.3939%0.391SS..Hα-helixtrans-63-26.3176.2-68.2163.2000112.8E523 K531E523-I527 WeakPolarHBondContact O-CB 3.36Å; E523-I527 WeakPolarHBondContact O-CD1 3.46Å; E523-I527 VanDerWaalsContact O-CG1 3.22Å; E523-I527 WeakPolarHBondContact O-CG1 3.31Å; E523-I527 PolarHBondContact O-N 3.35Å; I527-K531 WeakPolarHBondContact O-CG 3.42Å
528K71.8Confident62Low111 Ų11177.7 Ų77.748%0.48342%0.419SS..Hα-helixtrans-78.7-46.4173.8-75.4173.7-179-179.70111.6N524 M525 V526 A530 K531 E532N524-K528 WeakPolarHBondContact O-CG 3.29Å; N524-K528 PolarHBondContact O-N 3.35Å; M525-K528 WeakPolarHBondContact O-CB 3.45Å; M525-K528 PolarHBondContact O-N 3.28Å; M525-K528 VanDerWaalsContact O-N 3.13Å; V526-K528 PolarHBondContact O-N 3.47Å; K528-A530 VanDerWaalsContact C-N 3.33Å; K528-A530 PolarHBondContact O-N 3.33Å; K528-K531 WeakPolarHBondContact O-CB 3.37Å; K528-K531 PolarHBondContact O-N 3.41Å; K528-E532 PolarHBondContact O-N 3.12Å
529L70.4Confident60.2Low25 Ų2584.3 Ų84.313%0.13145%0.448CS..Hα-helixtrans-58.8-45.1176.3-69.4166.8000111.1F467 L500 M525 V526 K531 E532 L533F467-L529 HydrophobicContact CD2-CD1 4.05Å; F467-L529 HydrophobicContact CE2-CD1 4.38Å; F467-L529 HydrophobicContact CG-CD1 4.36Å; L500-L529 HydrophobicContact CD2-CD1 4.02Å; M525-L529 HydrophobicContact CG-CD1 4.5Å; M525-L529 WeakPolarHBondContact O-CG 3.17Å; M525-L529 PolarHBondContact O-N 3.21Å; V526-L529 PolarHBondContact O-N 3.24Å; L529-K531 PolarHBondContact O-N 3.36Å; L529-K531 VanDerWaalsContact O-N 3.08Å; L529-E532 PolarHBondContact O-N 3.03Å; L529-L533 PolarHBondContact O-N 3.29Å; L529-L533 VanDerWaalsContact O-N 3.16Å
530A65.4Low58.1Low40 Ų4090.2 Ų90.233%0.33148%0.477SS..Hα-helixtrans-61.2-16.1175.300000114.6I471 V526 K528I471-A530 HydrophobicContact CG1-CB 4.25Å; I471-A530 HydrophobicContact CG2-CB 3.8Å; V526-A530 VanDerWaalsContact O-CB 3.3Å; V526-A530 WeakPolarHBondContact O-CB 3.44Å; V526-A530 PolarHBondContact O-N 2.88Å; K528-A530 VanDerWaalsContact C-N 3.33Å; K528-A530 PolarHBondContact O-N 3.33Å
531K66.9Low56.1Low165 Ų16594.9 Ų94.972%0.71750%0.495SS*.Hα-helixtrans-96.1-13.3174.8-75.1177.1-179.6-178.90114I527 K528 L529I527-K531 WeakPolarHBondContact O-CG 3.42Å; K528-K531 WeakPolarHBondContact O-CB 3.37Å; K528-K531 PolarHBondContact O-N 3.41Å; L529-K531 PolarHBondContact O-N 3.36Å; L529-K531 VanDerWaalsContact O-N 3.08Å
532E62.6Low53.8Low130 Ų13099.8 Ų99.861%0.60753%0.53SS*.Hα-helixtrans-96.3-16.6175.4-68.1-177.816200111.7H506 K528 L529H506-E532 IonicContact NE2-OE1 2.69Å; K528-E532 PolarHBondContact O-N 3.12Å; L529-E532 PolarHBondContact O-N 3.03Å
533L57Low51.6Low62 Ų62103 Ų10333%0.32556%0.563SS.*SBendtrans-77.2137.6168.8-81.5152.7000112E464 I471 L529E464-L533 HydrophobicContact CG-CD2 4.04Å; I471-L533 HydrophobicContact CD1-CD1 3.83Å; L529-L533 PolarHBondContact O-N 3.29Å; L529-L533 VanDerWaalsContact O-N 3.16Å
534P43.2Very low49.5Very low104 Ų104109.1 Ų109.168%0.67559%0.592SS**PPolyproline II helixtrans-68.6151.4163.330.6-32.6000110.3
535P37.6Very low47.4Very low122 Ų122112.6 Ų112.679%0.79261%0.61SS**PPolyproline II helixtrans-67.2142.8-174.727.6-35000112.1
536P37.5Very low45.3Very low127 Ų127121.2 Ų121.283%0.82565%0.65SS**PPolyproline II helixtrans-70.6137.9178.630-34.4000110.9
537S31.8Very low43.2Very low117 Ų117128.3 Ų128.382%0.81869%0.688SS**PPolyproline II helixtrans-77.8128.7170.949.60000110.7
538E33.3Very low41.2Very low187 Ų187133 Ų13387%0.87471%0.709SS**PPolyproline II helixtrans-53.8135-177.9-61.5176.3131.200113.6
539E34.3Very low39Very low193 Ų193136 Ų13690%0.90272%0.724SS**PPolyproline II helixtrans-72.6127.6170.6-67.5-168142.200112.1
540I29Very low37Very low155 Ų155141.3 Ų141.380%0.79575%0.753SS**  trans-126.179.7158.1-54.3-177.3000110.7
541K28.3Very low35.1Very low187 Ų187145.2 Ų145.281%0.81377%0.768SS**  trans9.9108.8132.4-169.5179.1-165166.20118.5
542T25.9Very low33.3Very low141 Ų141144.5 Ų144.587%0.86577%0.772SS**  trans149.5135.7144.1490000107.5
543G27.4Very low31.6Very low69 Ų69141.1 Ų141.171%0.71177%0.767SS**  cis152.9151.53.800000108.9
544E27Very low30.3Very low189 Ų189145.2 Ų145.288%0.88379%0.788SS**  trans75.4106.8174-56.9178.3172.900117.5
545D30.8Very low29.5Very low154 Ų154146 Ų14682%0.82479%0.786SS**  50.9155.3124.5-59.3-13.2000125
546E26.8Very low29.1Very low190 Ų190147.4 Ų147.489%0.88878%0.779SS**  trans89.1152161.4-72.8180-171.800120.7
547D27.9Very low28.5Very low150 Ų150147.5 Ų147.580%0.80277%0.769SS**  trans-95169.4-157.3-63.2-73.8000114.6
548E29.3Very low28.1Very low176 Ų176147.8 Ų147.882%0.82276%0.762SS**  trans71.1137.9148.6-83.2177-176.600122.5
549E27.3Very low27.8Very low172 Ų172146.6 Ų146.680%0.80476%0.756SS**  trans65.799.1148.1-66.5-169.9168.300122.2
550D27.4Very low27.5Very low138 Ų138142.2 Ų142.274%0.73875%0.746SS**  90.4129.5110.4-144.138.9000121.8
551N26.7Very low27.7Very low122 Ų122140.3 Ų140.365%0.65274%0.744SS**  trans77.7132.9145.1-109.8-44.6000123.8
552D27.3Very low27.7Very low149 Ų149139.4 Ų139.480%0.79775%0.748SS**  trans47.3130.9142.1-120.1-3.4000119.1
553A27.8Very low27.9Very low60 Ų60138.6 Ų138.650%0.49674%0.743SS.*  cis177.5172.340.300000111.4
554L28.6Very low28.2Very low148 Ų148146.2 Ų146.278%0.77575%0.75SS**  trans69.3132.6148.2-63.8163000116.8
555L27.9Very low28.6Very low121 Ų121148.7 Ų148.763%0.63475%0.751SS**  cis-167.6148.58.3-94.4156.6000110.4
556K28Very low29.4Very low150 Ų150144.7 Ų144.765%0.65273%0.73SS**  trans62.2152.8138.8-67.7171.8171.3-95.60119.4
557E25.6Very low30.9Very low130 Ų130144.2 Ų144.261%0.60773%0.725SS**  cis-159.4143.6-7.1-120.4155.6-176.100109
558N24Very low32.9Very low123 Ų123139.9 Ų139.966%0.65871%0.705SS**  trans45.9143.3136-63.723.5000120.6
559E26.5Very low34.8Very low162 Ų162131.9 Ų131.976%0.75767%0.668SS**  cis-173.2164.16.6-109.7171.7-92.700105.5
560S27.8Very low37Very low100 Ų100127.1 Ų127.170%0.69965%0.651SS**  cis176.1174.2-18.2-108.50000107.3
561P34.2Very low38.9Very low116 Ų116122.9 Ų122.975%0.75364%0.64SS**  cis-132.1152-20.435.2-18.8000113.4
562D26.9Very low41Very low167 Ų167124.7 Ų124.789%0.89365%0.645SS**  trans-119.6133.4163.5-124.7-35.5000110.4R564D562-R564 PolarHBondContact O-N 3Å
563V30.9Very low42.9Very low125 Ų125120.5 Ų120.576%0.75862%0.62SS**  trans-86.7116.7-165.81770000110.7R565V563-R565 PolarHBondContact O-N 3.46Å
564R33Very low45.2Very low229 Ų229117.9 Ų117.986%0.86460%0.598SS**  trans-55134171-66.8179.4177.2-178.4-3.1110D562D562-R564 PolarHBondContact O-N 3Å
565R35.9Very low47.3Very low240 Ų240115.5 Ų115.591%0.90658%0.583SS**  trans-106.9104.5169.8-70.1-175.2-178.2179.71.5108.8V563V563-R565 PolarHBondContact O-N 3.46Å
566D47.8Very low49.5Very low70 Ų70113.4 Ų113.437%0.37458%0.575SS.*PPolyproline II helixtrans-68.6150.2175.2-63.2-30.7000111.8T629D566-T629 HydrophobicContact CB-CG2 4.02Å
567K58.9Low51.6Low180 Ų180106.5 Ų106.578%0.78355%0.545SS*.PPolyproline II helixtrans-82148.5174.7-64.4171.1-174.3165.30109.4P630K567-P630 WeakPolarHBondContact O-CD 3.39Å
568P69.3Low54.1Low60 Ų60100.5 Ų100.539%0.3952%0.517SS..PPolyproline II helixtrans-66.4152.2175.528.8-35.2000111.6T570 A628P568-T570 PolarHBondContact O-N 3.25Å; P568-A628 CarbonylContact C-O 3.54Å; P568-A628 VanDerWaalsContact CA-O 3.28Å; P568-A628 WeakPolarHBondContact CA-O 3.44Å
569V69.5Low56.5Low8 Ų898.4 Ų98.45%0.04851%0.506CS..PPolyproline II helixtrans-57.3134-179.4-177.30000110.7Q573 I574 W620 Q621 A628 P630V569-Q573 HydrophobicContact CG1-CB 3.65Å; V569-I574 HydrophobicContact CG1-CG1 3.84Å; V569-W620 HydrophobicContact CG2-CZ3 4.43Å; V569-Q621 PolarHBondContact O-NE2 2.82Å; V569-A628 WeakPolarHBondContact CG2-O 3.39Å; V569-A628 PolarHBondContact N-O 3.33Å; V569-P630 HydrophobicContact CG2-CB 4.44Å; V569-P630 HydrophobicContact CG2-CG 3.98Å
570T73.2Confident58.7Low71 Ų7194.4 Ų94.444%0.43649%0.486SS..PPolyproline II helixtrans-83.2157.9-178.6690000112.6P568 E572 Q573 I574P568-T570 PolarHBondContact O-N 3.25Å; T570-E572 PolarHBondContact O-N 2.89Å; T570-Q573 WeakPolarHBondContact O-CB 3.46Å; T570-Q573 PolarHBondContact O-N 3.42Å; T570-Q573 VanDerWaalsContact O-N 3.1Å; T570-Q573 WeakPolarHBondContact OG1-CG 3.41Å; T570-Q573 PolarHBondContact OG1-N 2.77Å; T570-Q573 PolarHBondContact OG1-OE1 2.84Å; T570-I574 PolarHBondContact O-N 3.1Å
571G67.9Low60.9Low49 Ų4989.7 Ų89.751%0.50545%0.453SS..Hα-helixtrans-60.8-28.3-179.900000114.3E575G571-E575 PolarHBondContact O-N 3.39Å; G571-E575 VanDerWaalsContact O-N 3.14Å
572E68.9Low62.7Low161 Ų16184.9 Ų84.975%0.75242%0.424SS*.Hα-helixtrans-73.3-41.1174.6-64.5-179.6170.500111.3T570 I574 E575 V576T570-E572 PolarHBondContact O-N 2.89Å; E572-I574 VanDerWaalsContact C-N 3.32Å; E572-I574 PolarHBondContact O-N 3.35Å; E572-E575 PolarHBondContact O-N 2.78Å; E572-V576 WeakPolarHBondContact O-CG2 3.48Å; E572-V576 PolarHBondContact O-N 2.9Å
573Q68.3Low64.8Low60 Ų6083.7 Ų83.728%0.2841%0.414SS..Hα-helixtrans-61.2-40171.7-71.4171.3-26.400111.4V569 T570 E575 V576 F577V569-Q573 HydrophobicContact CG1-CB 3.65Å; T570-Q573 WeakPolarHBondContact O-CB 3.46Å; T570-Q573 PolarHBondContact O-N 3.42Å; T570-Q573 VanDerWaalsContact O-N 3.1Å; T570-Q573 WeakPolarHBondContact OG1-CG 3.41Å; T570-Q573 PolarHBondContact OG1-N 2.77Å; T570-Q573 PolarHBondContact OG1-OE1 2.84Å; Q573-E575 VanDerWaalsContact C-N 3.32Å; Q573-E575 PolarHBondContact O-N 3.05Å; Q573-V576 PolarHBondContact O-N 3.13Å; Q573-F577 WeakPolarHBondContact O-CB 3.42Å; Q573-F577 PolarHBondContact O-N 3.5Å
574I75.4Confident66.9Low5 Ų581.6 Ų81.63%0.02640%0.395CS..Hα-helixtrans-62-38.5174.3-69.7172.6000111.6V569 T570 E572 A578 K614 L617 V618 Q621V569-I574 HydrophobicContact CG1-CG1 3.84Å; T570-I574 PolarHBondContact O-N 3.1Å; E572-I574 VanDerWaalsContact C-N 3.32Å; E572-I574 PolarHBondContact O-N 3.35Å; I574-A578 WeakPolarHBondContact O-CB 3.13Å; I574-A578 PolarHBondContact O-N 3.13Å; I574-K614 HydrophobicContact CG2-CG 4.31Å; I574-L617 HydrophobicContact CG2-CB 3.79Å; I574-L617 HydrophobicContact CG2-CD1 4.4Å; I574-V618 HydrophobicContact CG2-CG2 4.17Å; I574-Q621 HydrophobicContact CD1-CB 4.27Å
575E74.3Confident69.1Low98 Ų9871 Ų7146%0.45836%0.356SS..Hα-helixtrans-71.8-42178.9-178.3131.2-124.900112.8G571 E572 Q573 N579 K614G571-E575 PolarHBondContact O-N 3.39Å; G571-E575 VanDerWaalsContact O-N 3.14Å; E572-E575 PolarHBondContact O-N 2.78Å; Q573-E575 VanDerWaalsContact C-N 3.32Å; Q573-E575 PolarHBondContact O-N 3.05Å; E575-N579 PolarHBondContact O-N 3.48Å; E575-N579 PolarHBondContact O-ND2 3.49Å; E575-K614 IonicContact OE1-NZ 3.18Å; E575-K614 PolarHBondContact OE1-NZ 3.25Å; E575-K614 IonicContact OE2-NZ 2.99Å; E575-K614 PolarHBondContact OE2-NZ 3.11Å
576V73.8Confident71Confident78 Ų7864.1 Ų64.147%0.47333%0.332SS..Hα-helixtrans-63.7-43.2172.3174.70000110.3E572 Q573 N579 K580E572-V576 WeakPolarHBondContact O-CG2 3.48Å; E572-V576 PolarHBondContact O-N 2.9Å; Q573-V576 PolarHBondContact O-N 3.13Å; V576-N579 WeakPolarHBondContact O-CB 3.48Å; V576-N579 PolarHBondContact O-N 3.38Å; V576-K580 PolarHBondContact O-N 3.45Å
577F72.1Confident72.4Confident5 Ų565 Ų652%0.02234%0.336CS..Hα-helixtrans-71.6-40.1-178-170.8-116.5000113.1Q573 N579 K580 L581 L588 L617 L633 L637 L645 L649Q573-F577 WeakPolarHBondContact O-CB 3.42Å; Q573-F577 PolarHBondContact O-N 3.5Å; F577-N579 PolarHBondContact O-N 2.79Å; F577-K580 PolarHBondContact O-N 3.17Å; F577-L581 HydrophobicContact CE1-CB 4.27Å; F577-L581 HydrophobicContact CE1-CD1 4.47Å; F577-L581 HydrophobicContact CE1-CD2 4.02Å; F577-L581 HydrophobicContact CE1-CG 4.49Å; F577-L581 HydrophobicContact CZ-CB 4.26Å; F577-L581 HydrophobicContact CZ-CD1 4.22Å; F577-L581 WeakPolarHBondContact O-CB 3.35Å; F577-L581 PolarHBondContact O-N 3.05Å; F577-L588 HydrophobicContact CE1-CD2 4.47Å; F577-L617 HydrophobicContact CD1-CD1 3.56Å; F577-L617 HydrophobicContact CD1-CD2 3.83Å; F577-L617 HydrophobicContact CD1-CG 4.35Å; F577-L617 HydrophobicContact CE1-CD1 4.23Å; F577-L617 HydrophobicContact CE1-CD2 3.96Å; F577-L617 HydrophobicContact CG-CD1 4.46Å; F577-L633 HydrophobicContact CD1-CD2 3.9Å; F577-L633 HydrophobicContact CE1-CD1 4.35Å; F577-L633 HydrophobicContact CE1-CD2 4.01Å; F577-L633 HydrophobicContact CE1-CG 4.35Å; F577-L637 HydrophobicContact CE1-CD1 4.2Å; F577-L637 HydrophobicContact CE1-CD2 4.5Å; F577-L637 HydrophobicContact CE2-CD1 4.08Å; F577-L637 HydrophobicContact CZ-CD1 3.49Å; F577-L637 VanDerWaalsContact CZ-CD1 3.49Å; F577-L637 HydrophobicContact CZ-CD2 3.78Å; F577-L637 HydrophobicContact CZ-CG 4.22Å; F577-L645 HydrophobicContact CE2-CB 4.39Å; F577-L649 HydrophobicContact CD1-CD1 4.49Å; F577-L649 HydrophobicContact CD2-CD1 3.62Å; F577-L649 HydrophobicContact CD2-CD2 4.09Å; F577-L649 HydrophobicContact CD2-CG 3.81Å; F577-L649 HydrophobicContact CE1-CD1 4.32Å; F577-L649 HydrophobicContact CE2-CD1 3.41Å; F577-L649 VanDerWaalsContact CE2-CD1 3.41Å; F577-L649 HydrophobicContact CE2-CG 3.97Å; F577-L649 HydrophobicContact CG-CD1 4.21Å; F577-L649 HydrophobicContact CG-CD2 4.41Å; F577-L649 HydrophobicContact CZ-CD1 3.82Å
578A76.6Confident73.4Confident3 Ų356.4 Ų56.43%0.02530%0.299CS..Hα-helixtrans-58.1-34.917300000112.6I574 G582 A613 K614 L617I574-A578 WeakPolarHBondContact O-CB 3.13Å; I574-A578 PolarHBondContact O-N 3.13Å; A578-G582 PolarHBondContact O-N 2.83Å; A578-A613 HydrophobicContact CB-CB 4.23Å; A578-K614 HydrophobicContact CB-CB 3.73Å; A578-K614 HydrophobicContact CB-CG 4.25Å; A578-L617 HydrophobicContact CB-CD1 4.04Å
579N75.7Confident73.8Confident79 Ų7953.6 Ų53.642%0.42228%0.28SS..Hα-helixtrans-69-32.4174.6-85.5-67.9000113.5E575 V576 F577 K610E575-N579 PolarHBondContact O-N 3.48Å; E575-N579 PolarHBondContact O-ND2 3.49Å; V576-N579 WeakPolarHBondContact O-CB 3.48Å; V576-N579 PolarHBondContact O-N 3.38Å; F577-N579 PolarHBondContact O-N 2.79Å; N579-K610 WeakPolarHBondContact OD1-CD 3.4Å; N579-K610 PolarHBondContact OD1-NZ 3.4Å
580K72.5Confident74.2Confident78 Ų7856.8 Ų56.834%0.33930%0.301SS..Hα-helixtrans-78.8-40.2174.8-69.1178173.1-179.80112.2V576 F577 L645 S648 D652V576-K580 PolarHBondContact O-N 3.45Å; F577-K580 PolarHBondContact O-N 3.17Å; K580-L645 HydrophobicContact CB-CD2 3.97Å; K580-S648 PolarHBondContact NZ-O 3.37Å; K580-D652 IonicContact NZ-OD1 3.13Å; K580-D652 IonicContact NZ-OD2 2.71Å; K580-D652 PolarHBondContact NZ-OD2 3.39Å
581L72.9Confident74.4Confident1 Ų159.1 Ų59.11%0.00530%0.303CS..Hα-helixtrans-69.6-36.3-175.2-176.963.6000113.5F577 E583 Q584 W585 L588 A613 L617 L637 L642 L645F577-L581 HydrophobicContact CE1-CB 4.27Å; F577-L581 HydrophobicContact CE1-CD1 4.47Å; F577-L581 HydrophobicContact CE1-CD2 4.02Å; F577-L581 HydrophobicContact CE1-CG 4.49Å; F577-L581 HydrophobicContact CZ-CB 4.26Å; F577-L581 HydrophobicContact CZ-CD1 4.22Å; F577-L581 WeakPolarHBondContact O-CB 3.35Å; F577-L581 PolarHBondContact O-N 3.05Å; L581-E583 PolarHBondContact O-N 3.3Å; L581-Q584 HydrophobicContact CD1-CB 4.31Å; L581-Q584 WeakPolarHBondContact O-CB 3.32Å; L581-Q584 PolarHBondContact O-N 3.09Å; L581-W585 HydrophobicContact CD2-CB 4.09Å; L581-W585 HydrophobicContact CG-CB 4.27Å; L581-L588 HydrophobicContact CD1-CD2 4.04Å; L581-L588 HydrophobicContact CD2-CD2 3.74Å; L581-A613 HydrophobicContact CB-CB 4.41Å; L581-A613 HydrophobicContact CD2-CB 4.25Å; L581-A613 HydrophobicContact CG-CB 4.45Å; L581-L617 HydrophobicContact CD2-CD1 4.22Å; L581-L617 HydrophobicContact CD2-CG 4.43Å; L581-L637 HydrophobicContact CD1-CD2 4.39Å; L581-L642 HydrophobicContact CD1-CD1 4.23Å; L581-L645 HydrophobicContact CD1-CD1 3.94Å
582G73.4Confident74.9Confident15 Ų1557.1 Ų57.116%0.15528%0.281CS..G310 helixtrans48.6-125.1168.600000114.6A578 Q584 W585A578-G582 PolarHBondContact O-N 2.83Å; G582-Q584 VanDerWaalsContact C-N 3.26Å; G582-Q584 PolarHBondContact O-N 2.92Å; G582-W585 VanDerWaalsContact O-CD1 3.28Å
583E69.9Low75.2Confident142 Ų14257 Ų5766%0.66428%0.28SS*.G310 helixtrans-66.8-20.5-178.9-70.7-179.7-174.600114.3L581 W585 M609L581-E583 PolarHBondContact O-N 3.3Å; E583-W585 VanDerWaalsContact C-N 3.27Å; E583-W585 PolarHBondContact O-N 2.74Å; E583-M609 HydrophobicContact CG-CE 4.31Å; E583-M609 HydrophobicContact CG-CG 4.39Å; E583-M609 HydrophobicContact CG-SD 3.55Å; E583-M609 VanDerWaalsContact CG-SD 3.55Å
584Q74.9Confident75.6Confident81 Ų8154.7 Ų54.738%0.37927%0.269SS..G310 helixtrans-81.9-2.2-171.9-63.5174.8-38.600113.5L581 G582 K586 I587 L588 L642L581-Q584 HydrophobicContact CD1-CB 4.31Å; L581-Q584 WeakPolarHBondContact O-CB 3.32Å; L581-Q584 PolarHBondContact O-N 3.09Å; G582-Q584 VanDerWaalsContact C-N 3.26Å; G582-Q584 PolarHBondContact O-N 2.92Å; Q584-K586 PolarHBondContact O-N 2.83Å; Q584-K586 VanDerWaalsContact O-N 3.14Å; Q584-I587 WeakPolarHBondContact O-CB 3.29Å; Q584-I587 PolarHBondContact O-N 3.5Å; Q584-L588 PolarHBondContact O-N 3.39Å; Q584-L642 HydrophobicContact CB-CD1 3.94Å; Q584-L642 HydrophobicContact CB-CD2 4.19Å; Q584-L642 VanDerWaalsContact CD-CD2 3.48Å; Q584-L642 HydrophobicContact CG-CD2 4.21Å
585W78.8Confident75.8Confident8 Ų860.1 Ų60.13%0.0329%0.293CS..Hα-helixtrans-51.7-37.217777.1-83.6000113.4L581 G582 E583 I587 L588 A589 I599 I602 E603 R612 A613 L616L581-W585 HydrophobicContact CD2-CB 4.09Å; L581-W585 HydrophobicContact CG-CB 4.27Å; G582-W585 VanDerWaalsContact O-CD1 3.28Å; E583-W585 VanDerWaalsContact C-N 3.27Å; E583-W585 PolarHBondContact O-N 2.74Å; W585-I587 VanDerWaalsContact C-N 3.28Å; W585-I587 PolarHBondContact O-N 3.31Å; W585-L588 PolarHBondContact O-N 3.15Å; W585-A589 PolarHBondContact O-N 3.46Å; W585-I599 HydrophobicContact CH2-CG2 4.31Å; W585-I599 HydrophobicContact CZ3-CG2 4.23Å; W585-I602 HydrophobicContact CE3-CG2 4.32Å; W585-I602 HydrophobicContact CH2-CB 4.33Å; W585-I602 HydrophobicContact CH2-CG2 3.94Å; W585-I602 HydrophobicContact CZ3-CB 4.17Å; W585-I602 HydrophobicContact CZ3-CG2 3.71Å; W585-E603 HydrophobicContact CH2-CB 4.22Å; W585-E603 HydrophobicContact CZ2-CB 4.5Å; W585-R612 HydrophobicContact CD2-CB 4.03Å; W585-R612 HydrophobicContact CG-CB 4.45Å; W585-R612 HydrophobicContact CZ2-CB 4.01Å; W585-R612 HydrophobicContact CZ2-CG 4.33Å; W585-A613 HydrophobicContact CB-CB 3.93Å; W585-L616 HydrophobicContact CB-CD2 4.16Å; W585-L616 HydrophobicContact CE3-CB 4.24Å; W585-L616 HydrophobicContact CE3-CD1 4Å; W585-L616 HydrophobicContact CE3-CD2 4.24Å; W585-L616 HydrophobicContact CE3-CG 4.4Å; W585-L616 HydrophobicContact CZ3-CD1 4.26Å; W585-L616 WeakPolarHBondContact O-CD2 3.47Å
586K75.9Confident75.8Confident95 Ų9560.9 Ų60.941%0.41330%0.3SS..Hα-helixtrans-70.7-22.7-179.8-162.2171.3-165168.40113.3Q584 E603Q584-K586 PolarHBondContact O-N 2.83Å; Q584-K586 VanDerWaalsContact O-N 3.14Å; K586-E603 IonicContact NZ-OE1 3.98Å; K586-E603 PolarHBondContact NZ-OE1 2.92Å; K586-E603 IonicContact NZ-OE2 2.67Å; K586-E603 PolarHBondContact NZ-OE2 3.01Å
587I78.3Confident75.9Confident88 Ų8860.9 Ų60.945%0.45130%0.303SS..Hα-helixtrans-80.8-36.3174.4-55.3175.1000109.8Q584 W585 P590 Y591Q584-I587 WeakPolarHBondContact O-CB 3.29Å; Q584-I587 PolarHBondContact O-N 3.5Å; W585-I587 VanDerWaalsContact C-N 3.28Å; W585-I587 PolarHBondContact O-N 3.31Å; I587-P590 WeakPolarHBondContact O-CD 3.46Å; I587-Y591 WeakPolarHBondContact O-CD2 3.24Å; I587-Y591 WeakPolarHBondContact O-CE2 3.27Å
588L79.3Confident76.1Confident0 Ų063 Ų630%031%0.314CS..Hα-helixtrans-73.2-37.7178.8-17661.6000113.1F577 L581 Q584 W585 Y591 L592 L633 A636 L637F577-L588 HydrophobicContact CE1-CD2 4.47Å; L581-L588 HydrophobicContact CD1-CD2 4.04Å; L581-L588 HydrophobicContact CD2-CD2 3.74Å; Q584-L588 PolarHBondContact O-N 3.39Å; W585-L588 PolarHBondContact O-N 3.15Å; L588-Y591 PolarHBondContact O-N 2.92Å; L588-L592 HydrophobicContact CD1-CG 4.28Å; L588-L592 HydrophobicContact CD2-CD1 3.92Å; L588-L592 HydrophobicContact CG-CD1 3.77Å; L588-L592 HydrophobicContact CG-CG 3.98Å; L588-L592 PolarHBondContact O-N 3.06Å; L588-L633 HydrophobicContact CD2-CD1 4.39Å; L588-A636 HydrophobicContact CD1-CB 4.06Å; L588-L637 HydrophobicContact CD1-CD2 3.81Å; L588-L637 HydrophobicContact CD1-CG 4.05Å; L588-L637 HydrophobicContact CD2-CD2 3.92Å; L588-L637 HydrophobicContact CG-CD2 4.42Å
589A78.5Confident76.3Confident0 Ų063.5 Ų63.50%032%0.315CS..G310 helixtrans-50.7-43.2-171.400000116W585 Y591 L592 M594 I599 L616W585-A589 PolarHBondContact O-N 3.46Å; A589-Y591 VanDerWaalsContact C-N 3.29Å; A589-Y591 PolarHBondContact O-N 3.07Å; A589-L592 PolarHBondContact O-N 3.39Å; A589-M594 PolarHBondContact O-N 3.24Å; A589-I599 HydrophobicContact CB-CD1 3.65Å; A589-I599 HydrophobicContact CB-CG1 3.82Å; A589-L616 HydrophobicContact CB-CD1 3.45Å; A589-L616 VanDerWaalsContact CB-CD1 3.45Å; A589-L616 HydrophobicContact CB-CD2 4.01Å; A589-L616 HydrophobicContact CB-CG 4.36Å
590P77.6Confident76.4Confident75 Ų7567.8 Ų67.849%0.48733%0.326SS..G310 helixtrans-68.6-25177.5-19.634.5000113.9I587 L592 E593I587-P590 WeakPolarHBondContact O-CD 3.46Å; P590-L592 VanDerWaalsContact C-N 3.34Å; P590-E593 PolarHBondContact O-N 3.37Å
591Y76.9Confident76.7Confident120 Ų12069.8 Ų69.847%0.47134%0.336SS..G310 helixtrans-84.3-10.8177.8-63.4-91.8000113I587 L588 A589 E593 K639I587-Y591 WeakPolarHBondContact O-CD2 3.24Å; I587-Y591 WeakPolarHBondContact O-CE2 3.27Å; L588-Y591 PolarHBondContact O-N 2.92Å; A589-Y591 VanDerWaalsContact C-N 3.29Å; A589-Y591 PolarHBondContact O-N 3.07Å; Y591-E593 VanDerWaalsContact C-N 3.32Å; Y591-K639 HydrophobicContact CD1-CB 3.75Å; Y591-K639 HydrophobicContact CE1-CB 4.13Å; Y591-K639 VanDerWaalsContact CE1-O 3.22Å; Y591-K639 WeakPolarHBondContact CE1-O 3.47Å
592L78.9Confident77.1Confident8 Ų870.4 Ų70.44%0.04234%0.339CS..G310 helixtrans-94.315167.5-60.9177.3000112.1L588 A589 P590 M594 L616 W620 L633 A636L588-L592 HydrophobicContact CD1-CG 4.28Å; L588-L592 HydrophobicContact CD2-CD1 3.92Å; L588-L592 HydrophobicContact CG-CD1 3.77Å; L588-L592 HydrophobicContact CG-CG 3.98Å; L588-L592 PolarHBondContact O-N 3.06Å; A589-L592 PolarHBondContact O-N 3.39Å; P590-L592 VanDerWaalsContact C-N 3.34Å; L592-M594 HydrophobicContact CB-CG 4.31Å; L592-M594 PolarHBondContact O-N 3.32Å; L592-M594 VanDerWaalsContact O-N 3.09Å; L592-L616 HydrophobicContact CD1-CD2 4.22Å; L592-W620 HydrophobicContact CB-CG 4.35Å; L592-W620 HydrophobicContact CD1-CB 4.2Å; L592-W620 HydrophobicContact CD1-CG 4.05Å; L592-W620 HydrophobicContact CD2-CD2 4.27Å; L592-W620 HydrophobicContact CD2-CG 4.2Å; L592-W620 HydrophobicContact CG-CG 4.44Å; L592-L633 HydrophobicContact CD2-CD1 4.17Å; L592-A636 HydrophobicContact CD2-CB 3.46Å; L592-A636 VanDerWaalsContact CD2-CB 3.46Å; L592-A636 HydrophobicContact CG-CB 4.38Å
593E75.9Confident77.2Confident157 Ų15772.9 Ų72.973%0.73435%0.347SS*.THydrogen-bonded Turntrans55.323.6-179.9-55.6-165174.100115.3P590 Y591P590-E593 PolarHBondContact O-N 3.37Å; Y591-E593 VanDerWaalsContact C-N 3.32Å
594M75.9Confident77.5Confident13 Ų1371.3 Ų71.36%0.06435%0.351CS..  trans-75.6143.7177.2-65.4-168.766.200111.9A589 L592 E598 I599 I602 L616 A619A589-M594 PolarHBondContact O-N 3.24Å; L592-M594 HydrophobicContact CB-CG 4.31Å; L592-M594 PolarHBondContact O-N 3.32Å; L592-M594 VanDerWaalsContact O-N 3.09Å; M594-E598 HydrophobicContact CE-CB 4.29Å; M594-I599 HydrophobicContact CB-CG1 4.38Å; M594-I602 HydrophobicContact CE-CD1 3.92Å; M594-L616 HydrophobicContact CE-CD1 3.96Å; M594-L616 HydrophobicContact SD-CD1 3.28Å; M594-L616 WeakPolarHBondContact SD-CD1 3.2Å; M594-L616 HydrophobicContact SD-CG 3.85Å; M594-A619 HydrophobicContact CE-CB 3.61Å
595K80.4Confident77.5Confident118 Ų11872.1 Ų72.151%0.51336%0.358SS..  trans-78.6147.2-174.7-55-177.1-157.574.60111.5S597 E598 I599K595-S597 PolarHBondContact O-N 3.36Å; K595-E598 HydrophobicContact CB-CG 4.44Å; K595-E598 WeakPolarHBondContact CB-OE2 3.34Å; K595-E598 WeakPolarHBondContact CG-OE2 3.49Å; K595-E598 PolarHBondContact N-OE2 2.82Å; K595-E598 IonicContact NZ-OE1 3.7Å; K595-E598 PolarHBondContact NZ-OE1 3.03Å; K595-E598 IonicContact NZ-OE2 2.61Å; K595-E598 WeakPolarHBondContact O-CB 3.42Å; K595-E598 PolarHBondContact O-N 3.23Å; K595-I599 PolarHBondContact O-N 3.1Å
596D74Confident77.1Confident115 Ų11572.4 Ų72.462%0.61536%0.36SS*.Hα-helixtrans-51.4-29174.2-78.1-22.1000114.1R600D596-R600 WeakPolarHBondContact O-CB 3.38Å; D596-R600 WeakPolarHBondContact O-CD 3.47Å; D596-R600 WeakPolarHBondContact O-CG 3.23Å; D596-R600 PolarHBondContact O-N 2.7Å
597S75.8Confident76.7Confident77 Ų7776.8 Ų76.854%0.53838%0.382SS..Hα-helixtrans-69.5-40.5174.549.70000113K595 Q601K595-S597 PolarHBondContact O-N 3.36Å; S597-Q601 PolarHBondContact O-N 2.68Å; S597-Q601 VanDerWaalsContact O-N 3.09Å
598E77.1Confident76.5Confident51 Ų5176.4 Ų76.424%0.23838%0.382CS..Hα-helixtrans-73.3-40-179.2-67.8146.1-167.600110M594 K595 R600 Q601 I602M594-E598 HydrophobicContact CE-CB 4.29Å; K595-E598 HydrophobicContact CB-CG 4.44Å; K595-E598 WeakPolarHBondContact CB-OE2 3.34Å; K595-E598 WeakPolarHBondContact CG-OE2 3.49Å; K595-E598 PolarHBondContact N-OE2 2.82Å; K595-E598 IonicContact NZ-OE1 3.7Å; K595-E598 PolarHBondContact NZ-OE1 3.03Å; K595-E598 IonicContact NZ-OE2 2.61Å; K595-E598 WeakPolarHBondContact O-CB 3.42Å; K595-E598 PolarHBondContact O-N 3.23Å; E598-R600 VanDerWaalsContact C-N 3.35Å; E598-R600 PolarHBondContact O-N 3.13Å; E598-Q601 PolarHBondContact O-N 2.93Å; E598-I602 WeakPolarHBondContact O-CG1 3.28Å; E598-I602 PolarHBondContact O-N 3.41Å
599I80.1Confident76.2Confident12 Ų1280.7 Ų80.76%0.06240%0.403CS..Hα-helixtrans-60.3-43.1174.3-61.1172.3000111.2W585 A589 M594 K595 E603W585-I599 HydrophobicContact CH2-CG2 4.31Å; W585-I599 HydrophobicContact CZ3-CG2 4.23Å; A589-I599 HydrophobicContact CB-CD1 3.65Å; A589-I599 HydrophobicContact CB-CG1 3.82Å; M594-I599 HydrophobicContact CB-CG1 4.38Å; K595-I599 PolarHBondContact O-N 3.1Å; I599-E603 WeakPolarHBondContact O-CB 3.45Å; I599-E603 PolarHBondContact O-N 3.18Å; I599-E603 VanDerWaalsContact O-N 3.07Å
600R78.1Confident76Confident170 Ų17085.5 Ų85.564%0.64242%0.423SS*.Hα-helixtrans-67.5-34175.8-73.2173.2-163.7-164.36.4112.8D596 E598 E603 C604D596-R600 WeakPolarHBondContact O-CB 3.38Å; D596-R600 WeakPolarHBondContact O-CD 3.47Å; D596-R600 WeakPolarHBondContact O-CG 3.23Å; D596-R600 PolarHBondContact O-N 2.7Å; E598-R600 VanDerWaalsContact C-N 3.35Å; E598-R600 PolarHBondContact O-N 3.13Å; R600-E603 PolarHBondContact O-N 2.74Å; R600-C604 PolarHBondContact O-N 2.83Å; R600-C604 VanDerWaalsContact O-N 3.14Å
601Q79.1Confident75.9Confident119 Ų11986.9 Ų86.956%0.55643%0.425SS*.Hα-helixtrans-67.5-48177.1-174.1173.3-13.600110.9S597 E598 E603 C604 D605S597-Q601 PolarHBondContact O-N 2.68Å; S597-Q601 VanDerWaalsContact O-N 3.09Å; E598-Q601 PolarHBondContact O-N 2.93Å; Q601-E603 PolarHBondContact O-N 3.3Å; Q601-C604 PolarHBondContact O-N 3.37Å; Q601-D605 WeakPolarHBondContact CG-OD2 3.33Å; Q601-D605 WeakPolarHBondContact O-CB 3.45Å; Q601-D605 VanDerWaalsContact O-CG 3.28Å; Q601-D605 PolarHBondContact O-N 3.47Å
602I79.6Confident76.1Confident15 Ų1583.2 Ų83.28%0.07741%0.41CS..Hα-helixtrans-59.4-34.6174.4-64.9165.2000111.4W585 M594 E598 C604 R612 Q615 L616W585-I602 HydrophobicContact CE3-CG2 4.32Å; W585-I602 HydrophobicContact CH2-CB 4.33Å; W585-I602 HydrophobicContact CH2-CG2 3.94Å; W585-I602 HydrophobicContact CZ3-CB 4.17Å; W585-I602 HydrophobicContact CZ3-CG2 3.71Å; M594-I602 HydrophobicContact CE-CD1 3.92Å; E598-I602 WeakPolarHBondContact O-CG1 3.28Å; E598-I602 PolarHBondContact O-N 3.41Å; I602-C604 VanDerWaalsContact C-N 3.33Å; I602-C604 PolarHBondContact O-N 3.23Å; I602-R612 HydrophobicContact CG2-CB 3.92Å; I602-R612 HydrophobicContact CG2-CG 4.23Å; I602-Q615 HydrophobicContact CG1-CB 4.4Å; I602-Q615 HydrophobicContact CG2-CB 4.03Å; I602-L616 HydrophobicContact CD1-CD1 4.11Å
603E77.1Confident76.1Confident66 Ų6682.8 Ų82.831%0.30841%0.408SS..Hα-helixtrans-68.8-26.6174.5-176155.8-123.700113.9W585 K586 I599 R600 Q601 R612W585-E603 HydrophobicContact CH2-CB 4.22Å; W585-E603 HydrophobicContact CZ2-CB 4.5Å; K586-E603 IonicContact NZ-OE1 3.98Å; K586-E603 PolarHBondContact NZ-OE1 2.92Å; K586-E603 IonicContact NZ-OE2 2.67Å; K586-E603 PolarHBondContact NZ-OE2 3.01Å; I599-E603 WeakPolarHBondContact O-CB 3.45Å; I599-E603 PolarHBondContact O-N 3.18Å; I599-E603 VanDerWaalsContact O-N 3.07Å; R600-E603 PolarHBondContact O-N 2.74Å; Q601-E603 PolarHBondContact O-N 3.3Å; E603-R612 PolarHBondContact O-NH2 3Å; E603-R612 IonicContact OE1-NH1 3.49Å
604C76.1Confident76.4Confident110 Ų11078.5 Ų78.574%0.74339%0.387SS*.Hα-helixtrans-88.8-28.8174.8-75.10000114.1R600 Q601 I602 S606R600-C604 PolarHBondContact O-N 2.83Å; R600-C604 VanDerWaalsContact O-N 3.14Å; Q601-C604 PolarHBondContact O-N 3.37Å; I602-C604 VanDerWaalsContact C-N 3.33Å; I602-C604 PolarHBondContact O-N 3.23Å; C604-S606 PolarHBondContact O-N 3.45Å
605D74.6Confident76.7Confident98 Ų9881.1 Ų81.152%0.52440%0.399SS..Hα-helixtrans-78.3-13.4-169.8-75.5-11.4000114.6Q601Q601-D605 WeakPolarHBondContact CG-OD2 3.33Å; Q601-D605 WeakPolarHBondContact O-CB 3.45Å; Q601-D605 VanDerWaalsContact O-CG 3.28Å; Q601-D605 PolarHBondContact O-N 3.47Å
606S70.6Confident76.8Confident13 Ų1375.5 Ų75.59%0.09137%0.374CS..  trans-149.8145.9177.9176.50000111.3C604 D608 R612C604-S606 PolarHBondContact O-N 3.45Å; S606-D608 PolarHBondContact OG-N 2.87Å; S606-D608 PolarHBondContact OG-O 3Å; S606-R612 PolarHBondContact O-NE 3.28Å; S606-R612 PolarHBondContact O-NH2 3.3Å
607E66.3Low77.1Confident187 Ų18770 Ų7087%0.87435%0.345SS*.SBendtrans-88.5-21.5165.1-67.8-169.3168.800112.7M609E607-M609 PolarHBondContact O-N 2.82Å
608D75.1Confident77.4Confident81 Ų8169 Ų6943%0.43334%0.335SS..  trans-79.5118.1178.6-174-17.1000110.9S606 K610 M611 R612S606-D608 PolarHBondContact OG-N 2.87Å; S606-D608 PolarHBondContact OG-O 3Å; D608-K610 VanDerWaalsContact C-N 3.27Å; D608-K610 PolarHBondContact O-N 2.9Å; D608-K610 WeakPolarHBondContact OD1-CB 3.29Å; D608-K610 PolarHBondContact OD1-N 2.91Å; D608-M611 HydrophobicContact CB-CB 4.27Å; D608-M611 HydrophobicContact CB-CG 4.29Å; D608-M611 PolarHBondContact O-N 3.44Å; D608-R612 PolarHBondContact O-N 3.14Å; D608-R612 VanDerWaalsContact O-N 3.07Å
609M72.1Confident77.6Confident90 Ų9068.1 Ų68.144%0.44334%0.337SS..Hα-helixtrans-58.3-34.7179.8-61.7157174.500112.9E583 E607 R612 A613E583-M609 HydrophobicContact CG-CE 4.31Å; E583-M609 HydrophobicContact CG-CG 4.39Å; E583-M609 HydrophobicContact CG-SD 3.55Å; E583-M609 VanDerWaalsContact CG-SD 3.55Å; E607-M609 PolarHBondContact O-N 2.82Å; M609-R612 PolarHBondContact O-N 3.16Å; M609-A613 PolarHBondContact O-N 3.15Å
610K74.8Confident77.7Confident100 Ų10068.1 Ų68.144%0.43534%0.336SS..Hα-helixtrans-71.9-36.2178.4-67.9-179.8165.3-157.40111.9N579 D608 A613 K614N579-K610 WeakPolarHBondContact OD1-CD 3.4Å; N579-K610 PolarHBondContact OD1-NZ 3.4Å; D608-K610 VanDerWaalsContact C-N 3.27Å; D608-K610 PolarHBondContact O-N 2.9Å; D608-K610 WeakPolarHBondContact OD1-CB 3.29Å; D608-K610 PolarHBondContact OD1-N 2.91Å; K610-A613 PolarHBondContact O-N 2.86Å; K610-K614 PolarHBondContact O-N 3.49Å
611M75.9Confident77.8Confident105 Ų10562.3 Ų62.352%0.51732%0.317SS..Hα-helixtrans-69-35.8173.1-70.7-139.5-6700111.7D608 K614 Q615D608-M611 HydrophobicContact CB-CB 4.27Å; D608-M611 HydrophobicContact CB-CG 4.29Å; D608-M611 PolarHBondContact O-N 3.44Å; M611-K614 PolarHBondContact O-N 3.01Å; M611-Q615 WeakPolarHBondContact O-CB 3.41Å; M611-Q615 VanDerWaalsContact O-CG 3.27Å; M611-Q615 WeakPolarHBondContact O-CG 3.41Å; M611-Q615 PolarHBondContact O-N 3.4Å; M611-Q615 PolarHBondContact O-OE1 3.34Å
612R80.2Confident77.8Confident42 Ų4262.9 Ų62.916%0.15832%0.323CS..Hα-helixtrans-61.3-44.6171.4-63.9-177.6-174.7177.9-2.2112W585 I602 E603 S606 D608 M609 K614 Q615 L616W585-R612 HydrophobicContact CD2-CB 4.03Å; W585-R612 HydrophobicContact CG-CB 4.45Å; W585-R612 HydrophobicContact CZ2-CB 4.01Å; W585-R612 HydrophobicContact CZ2-CG 4.33Å; I602-R612 HydrophobicContact CG2-CB 3.92Å; I602-R612 HydrophobicContact CG2-CG 4.23Å; E603-R612 PolarHBondContact O-NH2 3Å; E603-R612 IonicContact OE1-NH1 3.49Å; S606-R612 PolarHBondContact O-NE 3.28Å; S606-R612 PolarHBondContact O-NH2 3.3Å; D608-R612 PolarHBondContact O-N 3.14Å; D608-R612 VanDerWaalsContact O-N 3.07Å; M609-R612 PolarHBondContact O-N 3.16Å; R612-K614 PolarHBondContact O-N 2.9Å; R612-Q615 PolarHBondContact O-N 3.47Å; R612-L616 WeakPolarHBondContact O-CB 3.5Å; R612-L616 PolarHBondContact O-N 2.79Å
613A80.3Confident77.6Confident0 Ų066 Ų660%034%0.338CS..Hα-helixtrans-59.9-42.8174.100000112.3A578 L581 W585 M609 K610 L616 L617A578-A613 HydrophobicContact CB-CB 4.23Å; L581-A613 HydrophobicContact CB-CB 4.41Å; L581-A613 HydrophobicContact CD2-CB 4.25Å; L581-A613 HydrophobicContact CG-CB 4.45Å; W585-A613 HydrophobicContact CB-CB 3.93Å; M609-A613 PolarHBondContact O-N 3.15Å; K610-A613 PolarHBondContact O-N 2.86Å; A613-L616 PolarHBondContact O-N 3.38Å; A613-L617 WeakPolarHBondContact O-CD1 3.4Å; A613-L617 VanDerWaalsContact O-CG 3.31Å; A613-L617 WeakPolarHBondContact O-CG 3.24Å; A613-L617 PolarHBondContact O-N 2.71Å; A613-L617 VanDerWaalsContact O-N 3.17Å
614K82.1Confident77.5Confident67 Ų6766.1 Ų66.129%0.29134%0.338SS..Hα-helixtrans-65.1-44.1175.8-164.1176.1-172.11770112.1I574 E575 A578 K610 M611 R612 L616 L617 V618I574-K614 HydrophobicContact CG2-CG 4.31Å; E575-K614 IonicContact OE1-NZ 3.18Å; E575-K614 PolarHBondContact OE1-NZ 3.25Å; E575-K614 IonicContact OE2-NZ 2.99Å; E575-K614 PolarHBondContact OE2-NZ 3.11Å; A578-K614 HydrophobicContact CB-CB 3.73Å; A578-K614 HydrophobicContact CB-CG 4.25Å; K610-K614 PolarHBondContact O-N 3.49Å; M611-K614 PolarHBondContact O-N 3.01Å; R612-K614 PolarHBondContact O-N 2.9Å; K614-L616 VanDerWaalsContact C-N 3.34Å; K614-L616 PolarHBondContact O-N 2.9Å; K614-L617 PolarHBondContact O-N 2.87Å; K614-V618 WeakPolarHBondContact O-CG2 3.5Å; K614-V618 PolarHBondContact O-N 3.48Å
615Q81Confident77.4Confident67 Ų6762.7 Ų62.731%0.31332%0.322SS..Hα-helixtrans-61.9-40.1177.2-76169.3-38.500112.1I602 M611 R612 A619I602-Q615 HydrophobicContact CG1-CB 4.4Å; I602-Q615 HydrophobicContact CG2-CB 4.03Å; M611-Q615 WeakPolarHBondContact O-CB 3.41Å; M611-Q615 VanDerWaalsContact O-CG 3.27Å; M611-Q615 WeakPolarHBondContact O-CG 3.41Å; M611-Q615 PolarHBondContact O-N 3.4Å; M611-Q615 PolarHBondContact O-OE1 3.34Å; R612-Q615 PolarHBondContact O-N 3.47Å; Q615-A619 VanDerWaalsContact O-CB 3.26Å; Q615-A619 WeakPolarHBondContact O-CB 3.42Å; Q615-A619 PolarHBondContact O-N 3.17Å
616L83Confident76.9Confident0 Ų063.6 Ų63.60%033%0.33CS..Hα-helixtrans-59.8-49.6174-170.982.1000111.7W585 A589 L592 M594 I602 R612 A613 K614 A619 W620W585-L616 HydrophobicContact CB-CD2 4.16Å; W585-L616 HydrophobicContact CE3-CB 4.24Å; W585-L616 HydrophobicContact CE3-CD1 4Å; W585-L616 HydrophobicContact CE3-CD2 4.24Å; W585-L616 HydrophobicContact CE3-CG 4.4Å; W585-L616 HydrophobicContact CZ3-CD1 4.26Å; W585-L616 WeakPolarHBondContact O-CD2 3.47Å; A589-L616 HydrophobicContact CB-CD1 3.45Å; A589-L616 VanDerWaalsContact CB-CD1 3.45Å; A589-L616 HydrophobicContact CB-CD2 4.01Å; A589-L616 HydrophobicContact CB-CG 4.36Å; L592-L616 HydrophobicContact CD1-CD2 4.22Å; M594-L616 HydrophobicContact CE-CD1 3.96Å; M594-L616 HydrophobicContact SD-CD1 3.28Å; M594-L616 WeakPolarHBondContact SD-CD1 3.2Å; M594-L616 HydrophobicContact SD-CG 3.85Å; I602-L616 HydrophobicContact CD1-CD1 4.11Å; R612-L616 WeakPolarHBondContact O-CB 3.5Å; R612-L616 PolarHBondContact O-N 2.79Å; A613-L616 PolarHBondContact O-N 3.38Å; K614-L616 VanDerWaalsContact C-N 3.34Å; K614-L616 PolarHBondContact O-N 2.9Å; L616-A619 PolarHBondContact O-N 3.08Å; L616-W620 WeakPolarHBondContact O-CB 3.44Å; L616-W620 PolarHBondContact O-N 3.26Å
617L80.3Confident76.6Confident1 Ų168.9 Ų68.91%0.00535%0.354CS..Hα-helixtrans-69.1-34.7-176.7-67.9163.7000112.7I574 F577 A578 L581 A613 K614 Q621 L633I574-L617 HydrophobicContact CG2-CB 3.79Å; I574-L617 HydrophobicContact CG2-CD1 4.4Å; F577-L617 HydrophobicContact CD1-CD1 3.56Å; F577-L617 HydrophobicContact CD1-CD2 3.83Å; F577-L617 HydrophobicContact CD1-CG 4.35Å; F577-L617 HydrophobicContact CE1-CD1 4.23Å; F577-L617 HydrophobicContact CE1-CD2 3.96Å; F577-L617 HydrophobicContact CG-CD1 4.46Å; A578-L617 HydrophobicContact CB-CD1 4.04Å; L581-L617 HydrophobicContact CD2-CD1 4.22Å; L581-L617 HydrophobicContact CD2-CG 4.43Å; A613-L617 WeakPolarHBondContact O-CD1 3.4Å; A613-L617 VanDerWaalsContact O-CG 3.31Å; A613-L617 WeakPolarHBondContact O-CG 3.24Å; A613-L617 PolarHBondContact O-N 2.71Å; A613-L617 VanDerWaalsContact O-N 3.17Å; K614-L617 PolarHBondContact O-N 2.87Å; L617-Q621 WeakPolarHBondContact O-CB 3.36Å; L617-Q621 PolarHBondContact O-N 2.94Å; L617-L633 HydrophobicContact CD2-CD1 3.93Å; L617-L633 HydrophobicContact CD2-CD2 4.35Å
618V82.4Confident77Confident54 Ų5460 Ų6033%0.32731%0.312SS..Hα-helixtrans-68.7-44.8172.3172.60000110.8I574 K614 W620 Q621 D622I574-V618 HydrophobicContact CG2-CG2 4.17Å; K614-V618 WeakPolarHBondContact O-CG2 3.5Å; K614-V618 PolarHBondContact O-N 3.48Å; V618-W620 VanDerWaalsContact C-N 3.31Å; V618-W620 PolarHBondContact O-N 3.44Å; V618-Q621 PolarHBondContact O-N 3.27Å; V618-Q621 VanDerWaalsContact O-N 3.16Å; V618-D622 PolarHBondContact O-N 3.45Å
619A80.7Confident77.2Confident34 Ų3456.9 Ų56.928%0.28130%0.296SS..Hα-helixtrans-62.4-37.7176.500000112.4M594 Q615 L616 D622 Q623M594-A619 HydrophobicContact CE-CB 3.61Å; Q615-A619 VanDerWaalsContact O-CB 3.26Å; Q615-A619 WeakPolarHBondContact O-CB 3.42Å; Q615-A619 PolarHBondContact O-N 3.17Å; L616-A619 PolarHBondContact O-N 3.08Å; A619-D622 PolarHBondContact O-N 3Å; A619-Q623 WeakPolarHBondContact O-CB 3.41Å; A619-Q623 PolarHBondContact O-N 3.27Å
620W82.8Confident77.2Confident11 Ų1153.4 Ų53.44%0.04228%0.28CS..Hα-helixtrans-65.2-43.1171.8172.169.7000112.5V569 L592 L616 V618 D622 Q623 E624 A628 N632 L633V569-W620 HydrophobicContact CG2-CZ3 4.43Å; L592-W620 HydrophobicContact CB-CG 4.35Å; L592-W620 HydrophobicContact CD1-CB 4.2Å; L592-W620 HydrophobicContact CD1-CG 4.05Å; L592-W620 HydrophobicContact CD2-CD2 4.27Å; L592-W620 HydrophobicContact CD2-CG 4.2Å; L592-W620 HydrophobicContact CG-CG 4.44Å; L616-W620 WeakPolarHBondContact O-CB 3.44Å; L616-W620 PolarHBondContact O-N 3.26Å; V618-W620 VanDerWaalsContact C-N 3.31Å; V618-W620 PolarHBondContact O-N 3.44Å; W620-D622 PolarHBondContact O-N 2.99Å; W620-Q623 PolarHBondContact O-N 2.97Å; W620-E624 PolarHBondContact O-N 2.82Å; W620-A628 HydrophobicContact CE3-CB 4.41Å; W620-A628 HydrophobicContact CH2-CB 3.88Å; W620-A628 HydrophobicContact CZ2-CB 4.27Å; W620-A628 HydrophobicContact CZ3-CB 3.95Å; W620-N632 HydrophobicContact CZ2-CB 4.38Å; W620-L633 HydrophobicContact CE3-CD1 4.44Å; W620-L633 HydrophobicContact CH2-CB 3.81Å; W620-L633 HydrophobicContact CH2-CD1 4.35Å; W620-L633 HydrophobicContact CZ2-CB 4.42Å; W620-L633 HydrophobicContact CZ3-CB 4.25Å; W620-L633 HydrophobicContact CZ3-CD1 4.2Å; W620-L633 HydrophobicContact CZ3-CD2 4.35Å
621Q80.4Confident77.1Confident49 Ų4954.2 Ų54.223%0.22929%0.285CS..Hα-helixtrans-61.7-42174.5171.6166.368.100112.2V569 I574 L617 V618 Q623 G625 A628V569-Q621 PolarHBondContact O-NE2 2.82Å; I574-Q621 HydrophobicContact CD1-CB 4.27Å; L617-Q621 WeakPolarHBondContact O-CB 3.36Å; L617-Q621 PolarHBondContact O-N 2.94Å; V618-Q621 PolarHBondContact O-N 3.27Å; V618-Q621 VanDerWaalsContact O-N 3.16Å; Q621-Q623 VanDerWaalsContact C-N 3.26Å; Q621-Q623 PolarHBondContact O-N 3.34Å; Q621-G625 WeakPolarHBondContact O-CA 3.41Å; Q621-G625 PolarHBondContact O-N 3.19Å; Q621-A628 HydrophobicContact CB-CB 4.47Å; Q621-A628 HydrophobicContact CG-CB 4.49Å
622D78.3Confident77.1Confident130 Ų13052.6 Ų52.670%0.69528%0.279SS*.Hα-helixtrans-67.1-27176.5-74.3-24.7000112.4V618 A619 W620V618-D622 PolarHBondContact O-N 3.45Å; A619-D622 PolarHBondContact O-N 3Å; W620-D622 PolarHBondContact O-N 2.99Å
623Q76.5Confident76.9Confident82 Ų8250.8 Ų50.838%0.38327%0.272SS..Hα-helixtrans-80-47.4176.8-179.3173.4-41.500112.9A619 W620 Q621A619-Q623 WeakPolarHBondContact O-CB 3.41Å; A619-Q623 PolarHBondContact O-N 3.27Å; W620-Q623 PolarHBondContact O-N 2.97Å; Q621-Q623 VanDerWaalsContact C-N 3.26Å; Q621-Q623 PolarHBondContact O-N 3.34Å
624E74.1Confident76.6Confident67 Ų6751.9 Ų51.931%0.31328%0.278SS..Hα-helixtrans-91.7-21-174.1-68-57.6130.500114.2W620 V626 H627 A628W620-E624 PolarHBondContact O-N 2.82Å; E624-V626 PolarHBondContact O-N 3.41Å; E624-H627 HydrophobicContact CB-CB 4.49Å; E624-H627 PolarHBondContact O-N 3.34Å; E624-A628 HydrophobicContact CB-CB 4.1Å
625G72.9Confident76.4Confident39 Ų3952.5 Ų52.540%0.40228%0.284SS..G310 helixtrans56.1-107.8174.800000113.8Q621 H627 A628Q621-G625 WeakPolarHBondContact O-CA 3.41Å; Q621-G625 PolarHBondContact O-N 3.19Å; G625-H627 VanDerWaalsContact C-N 3.25Å; G625-H627 PolarHBondContact O-N 3.16Å; G625-A628 WeakPolarHBondContact O-CB 3.24Å; G625-A628 PolarHBondContact O-N 2.63Å
626V64.1Low76.2Confident116 Ų11649.6 Ų49.670%0.70327%0.272SS*.G310 helixtrans-72.9-19.7-179.1-169.50000112E624E624-V626 PolarHBondContact O-N 3.41Å
627H65.8Low75.9Confident125 Ų12549.6 Ų49.658%0.57927%0.272SS*.G310 helixtrans-91.20.8177-62.5-66.4000113.6E624 G625 T629 N632E624-H627 HydrophobicContact CB-CB 4.49Å; E624-H627 PolarHBondContact O-N 3.34Å; G625-H627 VanDerWaalsContact C-N 3.25Å; G625-H627 PolarHBondContact O-N 3.16Å; H627-T629 PolarHBondContact O-N 3.37Å; H627-N632 PolarHBondContact O-ND2 3.46Å
628A73.3Confident75.7Confident0 Ų053.2 Ų53.20%029%0.291CS..  trans-74.158.9170.500000111.4P568 V569 W620 Q621 E624 G625P568-A628 CarbonylContact C-O 3.54Å; P568-A628 VanDerWaalsContact CA-O 3.28Å; P568-A628 WeakPolarHBondContact CA-O 3.44Å; V569-A628 WeakPolarHBondContact CG2-O 3.39Å; V569-A628 PolarHBondContact N-O 3.33Å; W620-A628 HydrophobicContact CE3-CB 4.41Å; W620-A628 HydrophobicContact CH2-CB 3.88Å; W620-A628 HydrophobicContact CZ2-CB 4.27Å; W620-A628 HydrophobicContact CZ3-CB 3.95Å; Q621-A628 HydrophobicContact CB-CB 4.47Å; Q621-A628 HydrophobicContact CG-CB 4.49Å; E624-A628 HydrophobicContact CB-CB 4.1Å; G625-A628 WeakPolarHBondContact O-CB 3.24Å; G625-A628 PolarHBondContact O-N 2.63Å
629T79.1Confident75.3Confident16 Ų1657.6 Ų57.610%0.09831%0.306CS..  trans-87.4156.317961.60000111.5D566 H627 E631 N632 L633D566-T629 HydrophobicContact CB-CG2 4.02Å; H627-T629 PolarHBondContact O-N 3.37Å; T629-E631 VanDerWaalsContact C-N 3.27Å; T629-E631 PolarHBondContact O-N 3.48Å; T629-N632 PolarHBondContact O-N 3.29Å; T629-N632 PolarHBondContact OG1-N 2.83Å; T629-L633 PolarHBondContact O-N 3.07Å
630P72.9Confident75Confident17 Ų1756.6 Ų56.611%0.1130%0.297CS..Hα-helixtrans-56.7-39.2174.6-22.831.5000113K567 V569 N632 L633 I634 N653K567-P630 WeakPolarHBondContact O-CD 3.39Å; V569-P630 HydrophobicContact CG2-CB 4.44Å; V569-P630 HydrophobicContact CG2-CG 3.98Å; P630-N632 VanDerWaalsContact C-N 3.34Å; P630-N632 PolarHBondContact O-N 3.09Å; P630-L633 PolarHBondContact O-N 3.1Å; P630-I634 WeakPolarHBondContact O-CB 3.29Å; P630-I634 WeakPolarHBondContact O-CD1 3.46Å; P630-I634 VanDerWaalsContact O-CG1 3.27Å; P630-I634 WeakPolarHBondContact O-CG1 3.44Å; P630-I634 PolarHBondContact O-N 3.42Å; P630-N653 WeakPolarHBondContact CB-ND2 3.5Å
631E72.8Confident74.4Confident117 Ų11758.9 Ų58.955%0.54732%0.324SS..Hα-helixtrans-60.5-39.9177.9-63.8-161.4151.200112.9T629 I634 N635T629-E631 VanDerWaalsContact C-N 3.27Å; T629-E631 PolarHBondContact O-N 3.48Å; E631-I634 PolarHBondContact O-N 3.05Å; E631-N635 WeakPolarHBondContact O-CB 3.31Å; E631-N635 PolarHBondContact O-N 2.94Å; E631-N635 PolarHBondContact O-ND2 3.33Å
632N75.3Confident74.1Confident70 Ų7057.2 Ų57.237%0.37432%0.316SS..Hα-helixtrans-68.8-37.5177.8-79.2-17.1000111.7W620 H627 T629 P630 N635 A636W620-N632 HydrophobicContact CZ2-CB 4.38Å; H627-N632 PolarHBondContact O-ND2 3.46Å; T629-N632 PolarHBondContact O-N 3.29Å; T629-N632 PolarHBondContact OG1-N 2.83Å; P630-N632 VanDerWaalsContact C-N 3.34Å; P630-N632 PolarHBondContact O-N 3.09Å; N632-N635 PolarHBondContact O-N 3.13Å; N632-A636 PolarHBondContact O-N 3.41Å
633L75.9Confident73.6Confident4 Ų453.5 Ų53.52%0.02130%0.3CS..Hα-helixtrans-66.3-43.8173.9-172.460.1000111.7F577 L588 L592 L617 W620 T629 P630 N635 A636 L637 L649F577-L633 HydrophobicContact CD1-CD2 3.9Å; F577-L633 HydrophobicContact CE1-CD1 4.35Å; F577-L633 HydrophobicContact CE1-CD2 4.01Å; F577-L633 HydrophobicContact CE1-CG 4.35Å; L588-L633 HydrophobicContact CD2-CD1 4.39Å; L592-L633 HydrophobicContact CD2-CD1 4.17Å; L617-L633 HydrophobicContact CD2-CD1 3.93Å; L617-L633 HydrophobicContact CD2-CD2 4.35Å; W620-L633 HydrophobicContact CE3-CD1 4.44Å; W620-L633 HydrophobicContact CH2-CB 3.81Å; W620-L633 HydrophobicContact CH2-CD1 4.35Å; W620-L633 HydrophobicContact CZ2-CB 4.42Å; W620-L633 HydrophobicContact CZ3-CB 4.25Å; W620-L633 HydrophobicContact CZ3-CD1 4.2Å; W620-L633 HydrophobicContact CZ3-CD2 4.35Å; T629-L633 PolarHBondContact O-N 3.07Å; P630-L633 PolarHBondContact O-N 3.1Å; L633-N635 VanDerWaalsContact C-N 3.34Å; L633-N635 PolarHBondContact O-N 3.33Å; L633-A636 PolarHBondContact O-N 3.08Å; L633-L637 HydrophobicContact CG-CD1 4.16Å; L633-L637 WeakPolarHBondContact O-CD1 3.22Å; L633-L637 VanDerWaalsContact O-CG 3.29Å; L633-L637 WeakPolarHBondContact O-CG 3.41Å; L633-L637 PolarHBondContact O-N 3.04Å; L633-L649 HydrophobicContact CD2-CD1 4.14Å; L633-L649 HydrophobicContact CG-CD1 4.37Å
634I75.4Confident73.2Confident23 Ų2356.1 Ų56.112%0.11832%0.317CS..Hα-helixtrans-59.5-43.6174-73.7161.2000110.9P630 E631 A636 L637 N638 A646 L649 T650P630-I634 WeakPolarHBondContact O-CB 3.29Å; P630-I634 WeakPolarHBondContact O-CD1 3.46Å; P630-I634 VanDerWaalsContact O-CG1 3.27Å; P630-I634 WeakPolarHBondContact O-CG1 3.44Å; P630-I634 PolarHBondContact O-N 3.42Å; E631-I634 PolarHBondContact O-N 3.05Å; I634-A636 PolarHBondContact O-N 3.01Å; I634-L637 PolarHBondContact O-N 3.46Å; I634-N638 WeakPolarHBondContact O-CB 3.25Å; I634-N638 PolarHBondContact O-N 3.24Å; I634-N638 PolarHBondContact O-ND2 3.38Å; I634-A646 HydrophobicContact CG2-CB 4.33Å; I634-L649 HydrophobicContact CD1-CB 4.23Å; I634-L649 HydrophobicContact CG1-CB 4.02Å; I634-L649 HydrophobicContact CG1-CD1 4.41Å; I634-T650 HydrophobicContact CD1-CG2 4Å
635N78.1Confident72.9Confident80 Ų8054 Ų5443%0.42831%0.308SS..Hα-helixtrans-64.1-37.7176-82.8-46.8000113E631 N632 L633 K639E631-N635 WeakPolarHBondContact O-CB 3.31Å; E631-N635 PolarHBondContact O-N 2.94Å; E631-N635 PolarHBondContact O-ND2 3.33Å; N632-N635 PolarHBondContact O-N 3.13Å; L633-N635 VanDerWaalsContact C-N 3.34Å; L633-N635 PolarHBondContact O-N 3.33Å; N635-K639 WeakPolarHBondContact O-CD 3.12Å; N635-K639 VanDerWaalsContact O-CG 3.25Å; N635-K639 WeakPolarHBondContact O-CG 3.46Å; N635-K639 PolarHBondContact O-N 2.77Å
636A76.3Confident72.5Confident7 Ų752.3 Ų52.36%0.05829%0.29CS..Hα-helixtrans-67.7-41.9173.700000111.9L588 L592 N632 L633 I634 K639 S640L588-A636 HydrophobicContact CD1-CB 4.06Å; L592-A636 HydrophobicContact CD2-CB 3.46Å; L592-A636 VanDerWaalsContact CD2-CB 3.46Å; L592-A636 HydrophobicContact CG-CB 4.38Å; N632-A636 PolarHBondContact O-N 3.41Å; L633-A636 PolarHBondContact O-N 3.08Å; I634-A636 PolarHBondContact O-N 3.01Å; A636-K639 PolarHBondContact O-N 3.24Å; A636-S640 WeakPolarHBondContact O-CB 3.3Å; A636-S640 PolarHBondContact O-N 3.17Å; A636-S640 PolarHBondContact O-OG 3.15Å
637L76Confident72.5Confident0 Ų052.7 Ų52.70%028%0.284CS..Hα-helixtrans-62.1-48.1177.6-73.6161000112.3F577 L581 L588 L633 I634 K639 S640 G641 L642 L645 A646 L649F577-L637 HydrophobicContact CE1-CD1 4.2Å; F577-L637 HydrophobicContact CE1-CD2 4.5Å; F577-L637 HydrophobicContact CE2-CD1 4.08Å; F577-L637 HydrophobicContact CZ-CD1 3.49Å; F577-L637 VanDerWaalsContact CZ-CD1 3.49Å; F577-L637 HydrophobicContact CZ-CD2 3.78Å; F577-L637 HydrophobicContact CZ-CG 4.22Å; L581-L637 HydrophobicContact CD1-CD2 4.39Å; L588-L637 HydrophobicContact CD1-CD2 3.81Å; L588-L637 HydrophobicContact CD1-CG 4.05Å; L588-L637 HydrophobicContact CD2-CD2 3.92Å; L588-L637 HydrophobicContact CG-CD2 4.42Å; L633-L637 HydrophobicContact CG-CD1 4.16Å; L633-L637 WeakPolarHBondContact O-CD1 3.22Å; L633-L637 VanDerWaalsContact O-CG 3.29Å; L633-L637 WeakPolarHBondContact O-CG 3.41Å; L633-L637 PolarHBondContact O-N 3.04Å; I634-L637 PolarHBondContact O-N 3.46Å; L637-K639 VanDerWaalsContact C-N 3.31Å; L637-K639 PolarHBondContact O-N 3.32Å; L637-S640 WeakPolarHBondContact CA-OG 3.35Å; L637-S640 CarbonylContact O-C 3.54Å; L637-S640 PolarHBondContact O-N 3.09Å; L637-S640 PolarHBondContact O-OG 3.3Å; L637-G641 PolarHBondContact O-N 2.88Å; L637-L642 HydrophobicContact CD2-CB 4.04Å; L637-L642 HydrophobicContact CD2-CD1 4.1Å; L637-L642 PolarHBondContact O-N 3.17Å; L637-L645 HydrophobicContact CD2-CB 4.47Å; L637-A646 HydrophobicContact CB-CB 3.99Å; L637-L649 HydrophobicContact CD1-CD1 3.43Å; L637-L649 VanDerWaalsContact CD1-CD1 3.43Å
638N75.9Confident72.4Confident77 Ų7747.9 Ų47.941%0.41226%0.264SS..Hα-helixtrans-60.2-39.1176.2-75.6-31.4000112.1I634 S640 G641 A646I634-N638 WeakPolarHBondContact O-CB 3.25Å; I634-N638 PolarHBondContact O-N 3.24Å; I634-N638 PolarHBondContact O-ND2 3.38Å; N638-S640 VanDerWaalsContact C-N 3.34Å; N638-G641 PolarHBondContact O-N 3.04Å; N638-A646 VanDerWaalsContact OD1-CB 3.31Å; N638-A646 WeakPolarHBondContact OD1-CB 3.37Å
639K75.4Confident71.9Confident146 Ų14648.7 Ų48.764%0.63527%0.268SS*.Hα-helixtrans-68.8-30.2174.2-72.3170.7-175.7173.60113.3Y591 N635 A636 L637 G641Y591-K639 HydrophobicContact CD1-CB 3.75Å; Y591-K639 HydrophobicContact CE1-CB 4.13Å; Y591-K639 VanDerWaalsContact CE1-O 3.22Å; Y591-K639 WeakPolarHBondContact CE1-O 3.47Å; N635-K639 WeakPolarHBondContact O-CD 3.12Å; N635-K639 VanDerWaalsContact O-CG 3.25Å; N635-K639 WeakPolarHBondContact O-CG 3.46Å; N635-K639 PolarHBondContact O-N 2.77Å; A636-K639 PolarHBondContact O-N 3.24Å; L637-K639 VanDerWaalsContact C-N 3.31Å; L637-K639 PolarHBondContact O-N 3.32Å; K639-G641 VanDerWaalsContact C-N 3.28Å; K639-G641 PolarHBondContact O-N 2.76Å
640S73.5Confident71Confident13 Ų1350.5 Ų50.59%0.09128%0.28CS..THydrogen-bonded Turntrans-79.9-4.4176.774.60000114.4A636 L637 N638 L642A636-S640 WeakPolarHBondContact O-CB 3.3Å; A636-S640 PolarHBondContact O-N 3.17Å; A636-S640 PolarHBondContact O-OG 3.15Å; L637-S640 WeakPolarHBondContact CA-OG 3.35Å; L637-S640 CarbonylContact O-C 3.54Å; L637-S640 PolarHBondContact O-N 3.09Å; L637-S640 PolarHBondContact O-OG 3.3Å; N638-S640 VanDerWaalsContact C-N 3.34Å; S640-L642 WeakPolarHBondContact OG-CD1 3.34Å; S640-L642 WeakPolarHBondContact OG-CG 3.34Å
641G70.1Confident70.1Confident58 Ų5854.2 Ų54.260%0.59830%0.298SS*.THydrogen-bonded Turntrans80.217.3-177.900000114.5L637 N638 K639L637-G641 PolarHBondContact O-N 2.88Å; N638-G641 PolarHBondContact O-N 3.04Å; K639-G641 VanDerWaalsContact C-N 3.28Å; K639-G641 PolarHBondContact O-N 2.76Å
642L74.1Confident69.1Low15 Ų1551.6 Ų51.68%0.07929%0.288CS..  trans-101.548.5-178.6-62.3177.5000111.4L581 Q584 L637 S640 D644 L645 A646L581-L642 HydrophobicContact CD1-CD1 4.23Å; Q584-L642 HydrophobicContact CB-CD1 3.94Å; Q584-L642 HydrophobicContact CB-CD2 4.19Å; Q584-L642 VanDerWaalsContact CD-CD2 3.48Å; Q584-L642 HydrophobicContact CG-CD2 4.21Å; L637-L642 HydrophobicContact CD2-CB 4.04Å; L637-L642 HydrophobicContact CD2-CD1 4.1Å; L637-L642 PolarHBondContact O-N 3.17Å; S640-L642 WeakPolarHBondContact OG-CD1 3.34Å; S640-L642 WeakPolarHBondContact OG-CG 3.34Å; L642-D644 VanDerWaalsContact C-N 3.33Å; L642-D644 PolarHBondContact O-N 3.01Å; L642-L645 HydrophobicContact CB-CB 4.49Å; L642-L645 HydrophobicContact CB-CD1 4.42Å; L642-L645 HydrophobicContact CD1-CD1 4.41Å; L642-L645 PolarHBondContact O-N 3.24Å; L642-L645 VanDerWaalsContact O-N 3.12Å; L642-A646 PolarHBondContact O-N 2.92Å
643S68.3Low67.7Low51 Ų5150 Ų5036%0.35728%0.28SS..Hα-helixtrans-56.5-42.8-174.8-45.20000112.8L645 A646 E647S643-L645 PolarHBondContact O-N 2.92Å; S643-A646 WeakPolarHBondContact O-CA 3.42Å; S643-A646 WeakPolarHBondContact O-CB 3.12Å; S643-A646 PolarHBondContact O-N 2.8Å; S643-E647 PolarHBondContact O-N 2.85Å
644D68.3Low66Low138 Ų13857 Ų5774%0.73831%0.312SS*.Hα-helixtrans-59.3-32.4179.6-49.3-12.9000112.5L642 S648L642-D644 VanDerWaalsContact C-N 3.33Å; L642-D644 PolarHBondContact O-N 3.01Å; D644-S648 PolarHBondContact O-N 2.95Å
645L67Low64.2Low23 Ų2361 Ų6112%0.1234%0.338CS..Hα-helixtrans-78.9-34.4175.4-73.7177.9000112F577 K580 L581 L637 L642 S643 S648 L649F577-L645 HydrophobicContact CE2-CB 4.39Å; K580-L645 HydrophobicContact CB-CD2 3.97Å; L581-L645 HydrophobicContact CD1-CD1 3.94Å; L637-L645 HydrophobicContact CD2-CB 4.47Å; L642-L645 HydrophobicContact CB-CB 4.49Å; L642-L645 HydrophobicContact CB-CD1 4.42Å; L642-L645 HydrophobicContact CD1-CD1 4.41Å; L642-L645 PolarHBondContact O-N 3.24Å; L642-L645 VanDerWaalsContact O-N 3.12Å; S643-L645 PolarHBondContact O-N 2.92Å; L645-S648 PolarHBondContact O-N 2.86Å; L645-S648 PolarHBondContact O-OG 3.39Å; L645-L649 PolarHBondContact O-N 3.06Å
646A64.9Low62.2Low2 Ų263.5 Ų63.52%0.01735%0.352CS..Hα-helixtrans-64.8-44.6173.900000111.5I634 L637 N638 L642 S643 S648 L649 T650I634-A646 HydrophobicContact CG2-CB 4.33Å; L637-A646 HydrophobicContact CB-CB 3.99Å; N638-A646 VanDerWaalsContact OD1-CB 3.31Å; N638-A646 WeakPolarHBondContact OD1-CB 3.37Å; L642-A646 PolarHBondContact O-N 2.92Å; S643-A646 WeakPolarHBondContact O-CA 3.42Å; S643-A646 WeakPolarHBondContact O-CB 3.12Å; S643-A646 PolarHBondContact O-N 2.8Å; A646-S648 VanDerWaalsContact C-N 3.25Å; A646-S648 PolarHBondContact O-N 2.99Å; A646-L649 WeakPolarHBondContact O-CB 3.46Å; A646-L649 PolarHBondContact O-N 3.17Å; A646-T650 PolarHBondContact O-N 3Å; A646-T650 VanDerWaalsContact O-N 3.12Å; A646-T650 PolarHBondContact O-OG1 2.91Å
647E65.3Low60.1Low124 Ų12470.9 Ų70.958%0.57940%0.403SS*.Hα-helixtrans-58.4-37.7173.8-72.6-177.8-174.200111.9S643 L649 T650 N651S643-E647 PolarHBondContact O-N 2.85Å; E647-L649 VanDerWaalsContact C-N 3.26Å; E647-L649 PolarHBondContact O-N 2.93Å; E647-T650 VanDerWaalsContact CA-OG1 3.31Å; E647-T650 WeakPolarHBondContact CA-OG1 3.47Å; E647-T650 PolarHBondContact O-N 2.98Å; E647-T650 PolarHBondContact O-OG1 3.25Å; E647-N651 VanDerWaalsContact O-CG 3.27Å; E647-N651 PolarHBondContact O-N 3.14Å; E647-N651 VanDerWaalsContact O-N 3.15Å; E647-N651 PolarHBondContact O-ND2 2.82Å; E647-N651 PolarHBondContact O-OD1 2.86Å
648S63.2Low59.3Low25 Ų2574.4 Ų74.418%0.17542%0.423CS..Hα-helixtrans-68.7-21.9176.589.20000114.2K580 D644 L645 A646 D652K580-S648 PolarHBondContact NZ-O 3.37Å; D644-S648 PolarHBondContact O-N 2.95Å; L645-S648 PolarHBondContact O-N 2.86Å; L645-S648 PolarHBondContact O-OG 3.39Å; A646-S648 VanDerWaalsContact C-N 3.25Å; A646-S648 PolarHBondContact O-N 2.99Å; S648-D652 VanDerWaalsContact O-CG 3.29Å; S648-D652 PolarHBondContact O-N 3.46Å
649L62.6Low58.5Low16 Ų1674.3 Ų74.38%0.08442%0.423CS..Hα-helixtrans-86-33.6176-91.7164.6000112.1F577 L633 I634 L637 L645 A646 E647 N653F577-L649 HydrophobicContact CD1-CD1 4.49Å; F577-L649 HydrophobicContact CD2-CD1 3.62Å; F577-L649 HydrophobicContact CD2-CD2 4.09Å; F577-L649 HydrophobicContact CD2-CG 3.81Å; F577-L649 HydrophobicContact CE1-CD1 4.32Å; F577-L649 HydrophobicContact CE2-CD1 3.41Å; F577-L649 VanDerWaalsContact CE2-CD1 3.41Å; F577-L649 HydrophobicContact CE2-CG 3.97Å; F577-L649 HydrophobicContact CG-CD1 4.21Å; F577-L649 HydrophobicContact CG-CD2 4.41Å; F577-L649 HydrophobicContact CZ-CD1 3.82Å; L633-L649 HydrophobicContact CD2-CD1 4.14Å; L633-L649 HydrophobicContact CG-CD1 4.37Å; I634-L649 HydrophobicContact CD1-CB 4.23Å; I634-L649 HydrophobicContact CG1-CB 4.02Å; I634-L649 HydrophobicContact CG1-CD1 4.41Å; L637-L649 HydrophobicContact CD1-CD1 3.43Å; L637-L649 VanDerWaalsContact CD1-CD1 3.43Å; L645-L649 PolarHBondContact O-N 3.06Å; A646-L649 WeakPolarHBondContact O-CB 3.46Å; A646-L649 PolarHBondContact O-N 3.17Å; E647-L649 VanDerWaalsContact C-N 3.26Å; E647-L649 PolarHBondContact O-N 2.93Å; L649-N653 PolarHBondContact O-N 3.34Å
650T59.7Low57.5Low54 Ų5470.3 Ų70.333%0.33141%0.411SS..Hα-helixtrans-63.8-46.5170.330.80000111.3I634 A646 E647 D652 N653 E654I634-T650 HydrophobicContact CD1-CG2 4Å; A646-T650 PolarHBondContact O-N 3Å; A646-T650 VanDerWaalsContact O-N 3.12Å; A646-T650 PolarHBondContact O-OG1 2.91Å; E647-T650 VanDerWaalsContact CA-OG1 3.31Å; E647-T650 WeakPolarHBondContact CA-OG1 3.47Å; E647-T650 PolarHBondContact O-N 2.98Å; E647-T650 PolarHBondContact O-OG1 3.25Å; T650-D652 PolarHBondContact O-N 2.96Å; T650-N653 PolarHBondContact O-N 2.91Å; T650-N653 VanDerWaalsContact O-N 3.09Å; T650-E654 PolarHBondContact O-N 3.16Å
651N54.1Low56.6Low95 Ų9573.6 Ų73.651%0.50843%0.43SS..Hα-helixtrans-65.5-35.4-178.3-64-9.1000112.9E647 N653 T655E647-N651 VanDerWaalsContact O-CG 3.27Å; E647-N651 PolarHBondContact O-N 3.14Å; E647-N651 VanDerWaalsContact O-N 3.15Å; E647-N651 PolarHBondContact O-ND2 2.82Å; E647-N651 PolarHBondContact O-OD1 2.86Å; N651-N653 VanDerWaalsContact C-N 3.31Å; N651-T655 PolarHBondContact O-N 2.79Å; N651-T655 PolarHBondContact O-OG1 3.32Å
652D51.2Low55.7Low62 Ų6274.6 Ų74.633%0.33242%0.42SS..Hα-helixtrans-73.3-21.4175.4-74.6-6.2000112.5K580 S648 T650 T655 N656K580-D652 IonicContact NZ-OD1 3.13Å; K580-D652 IonicContact NZ-OD2 2.71Å; K580-D652 PolarHBondContact NZ-OD2 3.39Å; S648-D652 VanDerWaalsContact O-CG 3.29Å; S648-D652 PolarHBondContact O-N 3.46Å; T650-D652 PolarHBondContact O-N 2.96Å; D652-T655 WeakPolarHBondContact CA-OG1 3.3Å; D652-T655 PolarHBondContact O-OG1 3.03Å; D652-N656 PolarHBondContact O-ND2 3.25Å
653N46.3Very low54.5Low38 Ų3878.6 Ų78.620%0.20344%0.443CS..Hα-helixtrans-85.7-41.1173.8-87.6-16.4000112.2P630 L649 T650 N651 T655 N656 S657P630-N653 WeakPolarHBondContact CB-ND2 3.5Å; L649-N653 PolarHBondContact O-N 3.34Å; T650-N653 PolarHBondContact O-N 2.91Å; T650-N653 VanDerWaalsContact O-N 3.09Å; N651-N653 VanDerWaalsContact C-N 3.31Å; N653-T655 PolarHBondContact O-N 3.37Å; N653-N656 CarbonylContact O-C 3.47Å; N653-N656 PolarHBondContact O-N 3.4Å; N653-S657 PolarHBondContact O-N 3Å; N653-S657 PolarHBondContact O-OG 3.15Å
654E40.6Very low53.5Low149 Ų14980.6 Ų80.670%0.69645%0.449SS*.Hα-helixtrans-63.6-27.4176.7-73-173.5165.800112.3T650 N656T650-E654 PolarHBondContact O-N 3.16Å; E654-N656 VanDerWaalsContact C-N 3.33Å
655T37.7Very low52.4Low108 Ų10876.2 Ų76.266%0.66343%0.427SS*.THydrogen-bonded Turntrans-82.2-4174.244.80000114.8N651 D652 N653N651-T655 PolarHBondContact O-N 2.79Å; N651-T655 PolarHBondContact O-OG1 3.32Å; D652-T655 WeakPolarHBondContact CA-OG1 3.3Å; D652-T655 PolarHBondContact O-OG1 3.03Å; N653-T655 PolarHBondContact O-N 3.37Å
656N36.4Very low51.2Low133 Ų13380.6 Ų80.671%0.71145%0.452SS*.THydrogen-bonded Turntrans-125.413.5178.5-74.6-71.9000113.3D652 N653 E654D652-N656 PolarHBondContact O-ND2 3.25Å; N653-N656 CarbonylContact O-C 3.47Å; N653-N656 PolarHBondContact O-N 3.4Å; E654-N656 VanDerWaalsContact C-N 3.33Å
657S32.4Very low49.9Very low161 Ų16187.7 Ų87.7100%1.12649%0.492SS*.  trans-100.40-179.2-64.40000112.6N653N653-S657 PolarHBondContact O-N 3Å; N653-S657 PolarHBondContact O-OG 3.15Å

Retrieved 657 of 657 residues in 121.2 ms (Link to these results)

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