A0A5K4EBT6_SCHMA Loading...

ER membrane protein complex subunit 3

AlphaFold DB , UniProt , Accession A0A5K4EBT6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 244 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
1M50.8Low68.3Low215 Ų215111.7 Ų111.7100%1.05958%0.582SS**  0127.30-72.1175.6-160.500106.5E3M1-E3 PolarHBondContact O-N 3.04Å
2A55Low69.2Low100 Ų100107.9 Ų107.983%0.82657%0.572SS**  trans-60.2122.3176.700000108.4L4A2-L4 VanDerWaalsContact C-N 3.32Å; A2-L4 PolarHBondContact O-N 2.95Å
3E59.9Low70.2Confident158 Ų158114.7 Ų114.774%0.73859%0.585SS**  trans-66.6101.7166-68.3-159.8151.100106.4M1 F5M1-E3 PolarHBondContact O-N 3.04Å; E3-F5 PolarHBondContact O-N 3.11Å
4L66Low71Confident73 Ų73107.5 Ų107.538%0.38255%0.549SS..  trans-63.2106.8173-173.786.3000106.9A2 L6 L134 L160 W164A2-L4 VanDerWaalsContact C-N 3.32Å; A2-L4 PolarHBondContact O-N 2.95Å; L4-L6 HydrophobicContact CD2-CD2 3.75Å; L4-L6 HydrophobicContact CD2-CG 4.43Å; L4-L6 HydrophobicContact CG-CD2 4.44Å; L4-L6 PolarHBondContact O-N 3.11Å; L4-L134 HydrophobicContact CD2-CD1 3.54Å; L4-L160 HydrophobicContact CD2-CD1 4.08Å; L4-W164 HydrophobicContact CB-CH2 4.13Å; L4-W164 HydrophobicContact CB-CZ2 3.63Å; L4-W164 HydrophobicContact CD2-CH2 4.27Å; L4-W164 HydrophobicContact CD2-CZ2 4.22Å; L4-W164 HydrophobicContact CD2-CZ3 4.49Å; L4-W164 HydrophobicContact CG-CZ2 4.48Å; L4-W164 WeakPolarHBondContact O-CH2 3.25Å; L4-W164 WeakPolarHBondContact O-CZ2 3.4Å
5F65.5Low71.9Confident182 Ų182103 Ų10380%0.79852%0.524SS*.  trans-75.7109.6170-108.1-93.8000107.9E3E3-F5 PolarHBondContact O-N 3.11Å
6L67.8Low72.9Confident43 Ų43102.6 Ų102.623%0.22552%0.523CS..  trans-77.6143.5166.8-68.6-176000109.2L4 P8 I10 L134 W164L4-L6 HydrophobicContact CD2-CD2 3.75Å; L4-L6 HydrophobicContact CD2-CG 4.43Å; L4-L6 HydrophobicContact CG-CD2 4.44Å; L4-L6 PolarHBondContact O-N 3.11Å; L6-P8 VanDerWaalsContact O-CD 3.29Å; L6-P8 WeakPolarHBondContact O-CD 3.45Å; L6-I10 HydrophobicContact CD2-CD1 4.44Å; L6-L134 HydrophobicContact CD1-CB 4.12Å; L6-L134 WeakPolarHBondContact CD1-O 3.19Å; L6-L134 HydrophobicContact CD2-CB 3.98Å; L6-W164 HydrophobicContact CD1-CE3 4.09Å; L6-W164 HydrophobicContact CD1-CH2 4.25Å; L6-W164 HydrophobicContact CD1-CZ3 3.38Å; L6-W164 HydrophobicContact CD2-CZ3 4.41Å; L6-W164 HydrophobicContact CG-CH2 4.03Å; L6-W164 HydrophobicContact CG-CZ3 3.62Å
7D74.6Confident73.7Confident92 Ų9298.9 Ų98.949%0.49251%0.508SS..  trans-58.6119.6167.9-179.6-6.4000108.7S9 I10D7-S9 PolarHBondContact O-N 2.97Å; D7-S9 WeakPolarHBondContact OD1-CB 3.29Å; D7-S9 PolarHBondContact OD1-N 3.32Å; D7-S9 PolarHBondContact OD1-OG 2.99Å; D7-I10 HydrophobicContact CB-CD1 4.19Å; D7-I10 HydrophobicContact CB-CG1 4.22Å; D7-I10 WeakPolarHBondContact O-CB 3.19Å; D7-I10 PolarHBondContact O-N 3.5Å
8P73.9Confident74.6Confident108 Ų10893.4 Ų93.470%0.70148%0.48SS*.THydrogen-bonded Turntrans-53.2-25.4177.8-26.935.6000113.5L6 I10 R11L6-P8 VanDerWaalsContact O-CD 3.29Å; L6-P8 WeakPolarHBondContact O-CD 3.45Å; P8-I10 PolarHBondContact O-N 3.12Å; P8-R11 WeakPolarHBondContact O-CB 3.34Å; P8-R11 PolarHBondContact O-N 2.85Å
9S80.5Confident75.4Confident51 Ų5190.4 Ų90.436%0.35747%0.466SS..Hα-helixtrans-61.5-30.5177.2-49.60000112.3D7 R11 S12 W13D7-S9 PolarHBondContact O-N 2.97Å; D7-S9 WeakPolarHBondContact OD1-CB 3.29Å; D7-S9 PolarHBondContact OD1-N 3.32Å; D7-S9 PolarHBondContact OD1-OG 2.99Å; S9-R11 PolarHBondContact O-N 2.8Å; S9-R11 VanDerWaalsContact O-N 3.11Å; S9-S12 PolarHBondContact O-N 2.92Å; S9-S12 VanDerWaalsContact O-N 3.11Å; S9-S12 PolarHBondContact O-OG 3.21Å; S9-W13 WeakPolarHBondContact O-CB 3.31Å; S9-W13 PolarHBondContact O-N 3.01Å
10I80.1Confident76.1Confident31 Ų3190.2 Ų90.216%0.15946%0.464CS..Hα-helixtrans-59.1-31.2179-62.3169.5000111L6 D7 P8 V14 F15L6-I10 HydrophobicContact CD2-CD1 4.44Å; D7-I10 HydrophobicContact CB-CD1 4.19Å; D7-I10 HydrophobicContact CB-CG1 4.22Å; D7-I10 WeakPolarHBondContact O-CB 3.19Å; D7-I10 PolarHBondContact O-N 3.5Å; P8-I10 PolarHBondContact O-N 3.12Å; I10-V14 HydrophobicContact CG2-CB 3.98Å; I10-V14 HydrophobicContact CG2-CG2 4.11Å; I10-V14 WeakPolarHBondContact O-CA 3.17Å; I10-V14 VanDerWaalsContact O-CB 3.31Å; I10-V14 WeakPolarHBondContact O-CB 3.43Å; I10-V14 PolarHBondContact O-N 3.3Å; I10-F15 PolarHBondContact O-N 2.83Å; I10-F15 VanDerWaalsContact O-N 3.12Å
11R77.6Confident76.8Confident176 Ų17689 Ų8966%0.66446%0.459SS*.Iπ-helixtrans-66.5-42.3178.4-176.1178.6170.7143.4-1.7112.6P8 S9 F15 L16P8-R11 WeakPolarHBondContact O-CB 3.34Å; P8-R11 PolarHBondContact O-N 2.85Å; S9-R11 PolarHBondContact O-N 2.8Å; S9-R11 VanDerWaalsContact O-N 3.11Å; R11-F15 HydrophobicContact CG-CB 4.34Å; R11-F15 HydrophobicContact CG-CD1 4.25Å; R11-F15 HydrophobicContact CG-CG 4.45Å; R11-F15 WeakPolarHBondContact O-CB 3.33Å; R11-F15 PolarHBondContact O-N 3.22Å; R11-L16 PolarHBondContact O-N 3.05Å
12S78.6Confident78.5Confident66 Ų6679.1 Ų79.146%0.46241%0.41SS..Iπ-helixtrans-80.7-29.6179.350.70000112.6S9 P17S9-S12 PolarHBondContact O-N 2.92Å; S9-S12 VanDerWaalsContact O-N 3.11Å; S9-S12 PolarHBondContact O-OG 3.21Å; S12-P17 WeakPolarHBondContact O-CD 3.47Å; S12-P17 WeakPolarHBondContact O-CG 3.47Å
13W82.3Confident80.1Confident196 Ų19677.1 Ų77.174%0.74238%0.383SS*.Iπ-helixtrans-94.9-24.4-174.3-73.397000114.8S9 P17S9-W13 WeakPolarHBondContact O-CB 3.31Å; S9-W13 PolarHBondContact O-N 3.01Å; W13-P17 WeakPolarHBondContact O-CG 3.2Å
14V82Confident81.5Confident14 Ų1474.5 Ų74.59%0.08537%0.373CS..Iπ-helixtrans-121.6-52.7-177.6179.60000111I10 L18 F130 T135I10-V14 HydrophobicContact CG2-CB 3.98Å; I10-V14 HydrophobicContact CG2-CG2 4.11Å; I10-V14 WeakPolarHBondContact O-CA 3.17Å; I10-V14 VanDerWaalsContact O-CB 3.31Å; I10-V14 WeakPolarHBondContact O-CB 3.43Å; I10-V14 PolarHBondContact O-N 3.3Å; V14-L18 WeakPolarHBondContact O-CB 3.41Å; V14-L18 PolarHBondContact O-N 3.13Å; V14-L18 VanDerWaalsContact O-N 3.14Å; V14-F130 HydrophobicContact CB-CD1 4.44Å; V14-F130 HydrophobicContact CG1-CD1 3.64Å; V14-F130 HydrophobicContact CG1-CE1 4.17Å; V14-F130 HydrophobicContact CG1-CG 4.42Å; V14-F130 HydrophobicContact CG2-CD1 4.36Å; V14-T135 HydrophobicContact CG1-CG2 4.25Å
15F84.4Confident82.6Confident40 Ų4073.3 Ų73.318%0.17537%0.365CS..Iπ-helixtrans-63.9-56.6-173.9174.8-84.4000112.4I10 R11 L18 V19 T136 W170I10-F15 PolarHBondContact O-N 2.83Å; I10-F15 VanDerWaalsContact O-N 3.12Å; R11-F15 HydrophobicContact CG-CB 4.34Å; R11-F15 HydrophobicContact CG-CD1 4.25Å; R11-F15 HydrophobicContact CG-CG 4.45Å; R11-F15 WeakPolarHBondContact O-CB 3.33Å; R11-F15 PolarHBondContact O-N 3.22Å; F15-L18 PolarHBondContact O-N 2.91Å; F15-V19 WeakPolarHBondContact O-CG2 3.46Å; F15-V19 PolarHBondContact O-N 2.97Å; F15-T136 HydrophobicContact CE2-CG2 4.37Å; F15-W170 HydrophobicContact CD1-CZ2 4.4Å; F15-W170 AromaticContact CD2-CD2 3.86Å; F15-W170 HydrophobicContact CD2-CD2 3.86Å; F15-W170 AromaticContact CD2-CE2 3.36Å; F15-W170 HydrophobicContact CD2-CE3 4.47Å; F15-W170 HydrophobicContact CD2-CG 4.3Å; F15-W170 HydrophobicContact CD2-CH2 4.34Å; F15-W170 AromaticContact CD2-CZ2 3.68Å; F15-W170 HydrophobicContact CD2-CZ2 3.68Å; F15-W170 AromaticContact CD2-NE1 3.44Å; F15-W170 HydrophobicContact CE1-CH2 4.44Å; F15-W170 AromaticContact CE1-CZ2 3.83Å; F15-W170 HydrophobicContact CE1-CZ2 3.83Å; F15-W170 AromaticContact CE2-CD2 3.7Å; F15-W170 HydrophobicContact CE2-CD2 3.7Å; F15-W170 AromaticContact CE2-CE2 3.18Å; F15-W170 AromaticContact CE2-CE3 3.92Å; F15-W170 HydrophobicContact CE2-CE3 3.92Å; F15-W170 AromaticContact CE2-CH2 3.32Å; F15-W170 HydrophobicContact CE2-CH2 3.32Å; F15-W170 AromaticContact CE2-CZ2 3.02Å; F15-W170 HydrophobicContact CE2-CZ2 3.02Å; F15-W170 AromaticContact CE2-CZ3 3.75Å; F15-W170 HydrophobicContact CE2-CZ3 3.75Å; F15-W170 AromaticContact CE2-NE1 3.78Å; F15-W170 HydrophobicContact CG-CZ2 4.33Å; F15-W170 AromaticContact CG-NE1 3.83Å; F15-W170 AromaticContact CZ-CE2 3.75Å; F15-W170 AromaticContact CZ-CH2 3.38Å; F15-W170 HydrophobicContact CZ-CH2 3.38Å; F15-W170 AromaticContact CZ-CZ2 3.1Å; F15-W170 HydrophobicContact CZ-CZ2 3.1Å; F15-W170 HydrophobicContact CZ-CZ3 4.22Å; F15-W170 PolarHBondContact O-NE1 3.49Å
16L86.7Confident83.5Confident96 Ų9665 Ų6550%0.50333%0.33SS..Hα-helixtrans-66.8-45-177179.767.8000112.8R11 L18 V19 I20R11-L16 PolarHBondContact O-N 3.05Å; L16-L18 VanDerWaalsContact C-N 3.25Å; L16-L18 PolarHBondContact O-N 2.92Å; L16-V19 PolarHBondContact O-N 3.2Å; L16-I20 HydrophobicContact CD1-CD1 4.41Å; L16-I20 HydrophobicContact CG-CD1 4.15Å; L16-I20 WeakPolarHBondContact O-CG1 3.3Å; L16-I20 PolarHBondContact O-N 2.92Å; L16-I20 VanDerWaalsContact O-N 3.14Å
17P87.8Confident84.4Confident40 Ų4064.3 Ų64.326%0.2633%0.328SS..Hα-helixtrans-60.7-35.6176.9-28.540.1000112.6S12 W13 I20 I21S12-P17 WeakPolarHBondContact O-CD 3.47Å; S12-P17 WeakPolarHBondContact O-CG 3.47Å; W13-P17 WeakPolarHBondContact O-CG 3.2Å; P17-I20 PolarHBondContact O-N 3.13Å; P17-I21 WeakPolarHBondContact O-CB 3.2Å; P17-I21 WeakPolarHBondContact O-CG1 2.88Å; P17-I21 PolarHBondContact O-N 3.08Å
18L89.1Confident85Confident1 Ų164.5 Ų64.51%0.00533%0.329CS..Hα-helixtrans-67.9-36.2178.6-167.8153.7000112V14 F15 L16 T22 I126 F130 W170V14-L18 WeakPolarHBondContact O-CB 3.41Å; V14-L18 PolarHBondContact O-N 3.13Å; V14-L18 VanDerWaalsContact O-N 3.14Å; F15-L18 PolarHBondContact O-N 2.91Å; L16-L18 VanDerWaalsContact C-N 3.25Å; L16-L18 PolarHBondContact O-N 2.92Å; L18-T22 HydrophobicContact CD2-CG2 4.07Å; L18-T22 WeakPolarHBondContact O-CB 3.33Å; L18-T22 WeakPolarHBondContact O-CG2 3.48Å; L18-T22 PolarHBondContact O-N 2.89Å; L18-T22 PolarHBondContact O-OG1 3.38Å; L18-I126 HydrophobicContact CD1-CG2 4.09Å; L18-F130 HydrophobicContact CD1-CB 4.44Å; L18-F130 HydrophobicContact CD1-CD2 4.07Å; L18-F130 HydrophobicContact CD1-CG 4.2Å; L18-W170 HydrophobicContact CD2-CG 4.34Å
19V89.3Confident85.5Confident35 Ų3560.2 Ų60.221%0.21230%0.299CS..Hα-helixtrans-62.3-44.8170.3-174.70000111.2F15 L16 T22 F23 W170 N174F15-V19 WeakPolarHBondContact O-CG2 3.46Å; F15-V19 PolarHBondContact O-N 2.97Å; L16-V19 PolarHBondContact O-N 3.2Å; V19-T22 WeakPolarHBondContact CA-OG1 3.32Å; V19-T22 PolarHBondContact O-N 3.33Å; V19-T22 PolarHBondContact O-OG1 3.19Å; V19-F23 WeakPolarHBondContact O-CB 3.38Å; V19-F23 PolarHBondContact O-N 2.82Å; V19-W170 HydrophobicContact CG2-CZ2 3.59Å; V19-N174 WeakPolarHBondContact CG2-OD1 3.37Å
20I90.5Very high85.6Confident86 Ų8658.4 Ų58.444%0.44128%0.284SS..Hα-helixtrans-66.4-46.5-178.6-64.5169.5000110.6L16 P17 T22 F23 L24L16-I20 HydrophobicContact CD1-CD1 4.41Å; L16-I20 HydrophobicContact CG-CD1 4.15Å; L16-I20 WeakPolarHBondContact O-CG1 3.3Å; L16-I20 PolarHBondContact O-N 2.92Å; L16-I20 VanDerWaalsContact O-N 3.14Å; P17-I20 PolarHBondContact O-N 3.13Å; I20-T22 VanDerWaalsContact C-N 3.35Å; I20-T22 PolarHBondContact O-N 3.15Å; I20-F23 PolarHBondContact O-N 3.23Å; I20-L24 HydrophobicContact CG2-CD1 3.82Å; I20-L24 HydrophobicContact CG2-CG 4.25Å; I20-L24 WeakPolarHBondContact O-CB 3.15Å; I20-L24 VanDerWaalsContact O-CG 3.31Å; I20-L24 WeakPolarHBondContact O-CG 3.37Å; I20-L24 PolarHBondContact O-N 2.81Å
21I89.5Confident85.9Confident67 Ų6763.4 Ų63.434%0.34430%0.302SS..Hα-helixtrans-60.5-45.3178.1-70.6165.3000110.5P17 F23 L24 F25 I122 F130P17-I21 WeakPolarHBondContact O-CB 3.2Å; P17-I21 WeakPolarHBondContact O-CG1 2.88Å; P17-I21 PolarHBondContact O-N 3.08Å; I21-F23 PolarHBondContact O-N 3.14Å; I21-L24 PolarHBondContact O-N 2.96Å; I21-F25 WeakPolarHBondContact O-CB 3.47Å; I21-F25 PolarHBondContact O-N 3.43Å; I21-I122 HydrophobicContact CG2-CD1 4.25Å; I21-F130 HydrophobicContact CD1-CZ 4.49Å
22T87.5Confident86.2Confident6 Ų658 Ų584%0.03729%0.286CS..Hα-helixtrans-61.9-44.7178.447.60000112.2L18 V19 I20 G26 I126 Y171 N174 L178 Y182L18-T22 HydrophobicContact CD2-CG2 4.07Å; L18-T22 WeakPolarHBondContact O-CB 3.33Å; L18-T22 WeakPolarHBondContact O-CG2 3.48Å; L18-T22 PolarHBondContact O-N 2.89Å; L18-T22 PolarHBondContact O-OG1 3.38Å; V19-T22 WeakPolarHBondContact CA-OG1 3.32Å; V19-T22 PolarHBondContact O-N 3.33Å; V19-T22 PolarHBondContact O-OG1 3.19Å; I20-T22 VanDerWaalsContact C-N 3.35Å; I20-T22 PolarHBondContact O-N 3.15Å; T22-G26 PolarHBondContact O-N 3.16Å; T22-I126 HydrophobicContact CG2-CD1 4.28Å; T22-Y171 HydrophobicContact CG2-CD2 3.31Å; T22-Y171 HydrophobicContact CG2-CE2 3.68Å; T22-N174 HydrophobicContact CG2-CB 4.23Å; T22-L178 WeakPolarHBondContact OG1-CD1 3.49Å; T22-Y182 PolarHBondContact O-OH 3.25Å
23F88.4Confident86.3Confident59 Ų5955.6 Ų55.626%0.25927%0.268SS..Hα-helixtrans-60.3-52.8176.2-178.8-104.2000112.2V19 I20 I21 F25 G26 V27 L178 Y182V19-F23 WeakPolarHBondContact O-CB 3.38Å; V19-F23 PolarHBondContact O-N 2.82Å; I20-F23 PolarHBondContact O-N 3.23Å; I21-F23 PolarHBondContact O-N 3.14Å; F23-F25 VanDerWaalsContact C-N 3.33Å; F23-F25 PolarHBondContact O-N 3.29Å; F23-G26 PolarHBondContact O-N 2.86Å; F23-G26 VanDerWaalsContact O-N 3.16Å; F23-V27 HydrophobicContact CE1-CG2 4.13Å; F23-V27 HydrophobicContact CE2-CG2 4.41Å; F23-V27 HydrophobicContact CZ-CG2 4.06Å; F23-V27 WeakPolarHBondContact O-CG2 3.44Å; F23-V27 PolarHBondContact O-N 3.2Å; F23-L178 HydrophobicContact CB-CD1 4.09Å; F23-L178 HydrophobicContact CD2-CD2 4.45Å; F23-Y182 VanDerWaalsContact CA-OH 3.29Å; F23-Y182 WeakPolarHBondContact CA-OH 3.21Å; F23-Y182 HydrophobicContact CD2-CD1 4.37Å; F23-Y182 AromaticContact CD2-CE1 3.7Å; F23-Y182 HydrophobicContact CD2-CE1 3.7Å; F23-Y182 HydrophobicContact CE2-CD1 4.22Å; F23-Y182 AromaticContact CE2-CE1 3.97Å; F23-Y182 HydrophobicContact CE2-CE1 3.97Å; F23-Y182 PolarHBondContact O-OH 3.29Å
24L90.3Very high86.3Confident102 Ų10250.9 Ų50.953%0.53426%0.256SS..Hα-helixtrans-62.7-39.8-179.6-69.2177.7000112.1I20 I21 G26 V27 L28I20-L24 HydrophobicContact CG2-CD1 3.82Å; I20-L24 HydrophobicContact CG2-CG 4.25Å; I20-L24 WeakPolarHBondContact O-CB 3.15Å; I20-L24 VanDerWaalsContact O-CG 3.31Å; I20-L24 WeakPolarHBondContact O-CG 3.37Å; I20-L24 PolarHBondContact O-N 2.81Å; I21-L24 PolarHBondContact O-N 2.96Å; L24-G26 VanDerWaalsContact C-N 3.33Å; L24-V27 PolarHBondContact O-N 3.31Å; L24-L28 WeakPolarHBondContact O-CB 3.2Å; L24-L28 PolarHBondContact O-N 3.14Å
25F87.4Confident86.2Confident48 Ų4857.4 Ų57.421%0.21129%0.288CS..Hα-helixtrans-65.5-37.9176.1-169.9-89.9000111.7I21 F23 L28 R29 P118 I122I21-F25 WeakPolarHBondContact O-CB 3.47Å; I21-F25 PolarHBondContact O-N 3.43Å; F23-F25 VanDerWaalsContact C-N 3.33Å; F23-F25 PolarHBondContact O-N 3.29Å; F25-L28 PolarHBondContact O-N 3.41Å; F25-R29 VanDerWaalsContact O-CB 3.24Å; F25-R29 WeakPolarHBondContact O-CB 3.1Å; F25-R29 PolarHBondContact O-N 3.08Å; F25-P118 HydrophobicContact CE1-CB 3.84Å; F25-P118 HydrophobicContact CZ-CB 3.92Å; F25-I122 HydrophobicContact CD1-CB 3.9Å; F25-I122 HydrophobicContact CD1-CG1 4.03Å; F25-I122 HydrophobicContact CD1-CG2 3.78Å; F25-I122 HydrophobicContact CD2-CB 4.34Å; F25-I122 HydrophobicContact CD2-CD1 4.11Å; F25-I122 HydrophobicContact CD2-CG1 4.3Å; F25-I122 HydrophobicContact CE1-CB 3.66Å; F25-I122 HydrophobicContact CE1-CG1 4.31Å; F25-I122 HydrophobicContact CE1-CG2 3.47Å; F25-I122 VanDerWaalsContact CE1-CG2 3.47Å; F25-I122 HydrophobicContact CE2-CB 4.11Å; F25-I122 HydrophobicContact CE2-CD1 4.49Å; F25-I122 HydrophobicContact CG-CB 4.24Å; F25-I122 HydrophobicContact CG-CD1 4.22Å; F25-I122 HydrophobicContact CG-CG1 4.02Å; F25-I122 HydrophobicContact CZ-CB 3.77Å; F25-I122 HydrophobicContact CZ-CG2 4.02Å
26G85.6Confident85.8Confident7 Ų759.8 Ų59.87%0.07230%0.298CS..Hα-helixtrans-62.7-41.8173.900000112.8T22 F23 L24 H30T22-G26 PolarHBondContact O-N 3.16Å; F23-G26 PolarHBondContact O-N 2.86Å; F23-G26 VanDerWaalsContact O-N 3.16Å; L24-G26 VanDerWaalsContact C-N 3.33Å; G26-H30 WeakPolarHBondContact O-CB 3.42Å; G26-H30 PolarHBondContact O-N 2.9Å
27V86.2Confident85Confident30 Ų3058.7 Ų58.718%0.18230%0.298CS..Hα-helixtrans-64.8-47.2174.3175.20000111.2F23 L24 R29 H30 Y31 Y182 L186F23-V27 HydrophobicContact CE1-CG2 4.13Å; F23-V27 HydrophobicContact CE2-CG2 4.41Å; F23-V27 HydrophobicContact CZ-CG2 4.06Å; F23-V27 WeakPolarHBondContact O-CG2 3.44Å; F23-V27 PolarHBondContact O-N 3.2Å; L24-V27 PolarHBondContact O-N 3.31Å; V27-R29 VanDerWaalsContact C-N 3.34Å; V27-R29 PolarHBondContact O-N 2.92Å; V27-H30 WeakPolarHBondContact O-CB 3.25Å; V27-H30 PolarHBondContact O-N 2.9Å; V27-Y31 HydrophobicContact CG1-CD2 3.85Å; V27-Y31 HydrophobicContact CG1-CE2 3.58Å; V27-Y31 VanDerWaalsContact O-CD2 3.27Å; V27-Y31 WeakPolarHBondContact O-CD2 3.31Å; V27-Y31 PolarHBondContact O-N 3.12Å; V27-Y31 VanDerWaalsContact O-N 3.15Å; V27-Y182 HydrophobicContact CG2-CE1 4.4Å; V27-L186 HydrophobicContact CG2-CD1 4.46Å
28L87.5Confident83.7Confident96 Ų9661.1 Ų61.150%0.50332%0.316SS..Hα-helixtrans-59.4-46177.2-179.265.2000111.2L24 F25 H30 Y31 M32L24-L28 WeakPolarHBondContact O-CB 3.2Å; L24-L28 PolarHBondContact O-N 3.14Å; F25-L28 PolarHBondContact O-N 3.41Å; L28-H30 VanDerWaalsContact C-N 3.33Å; L28-H30 PolarHBondContact O-N 3.5Å; L28-Y31 PolarHBondContact O-N 2.86Å; L28-M32 HydrophobicContact CD2-CE 4.43Å; L28-M32 HydrophobicContact CG-CE 4.03Å; L28-M32 HydrophobicContact CG-SD 4.44Å; L28-M32 WeakPolarHBondContact O-CG 3.47Å; L28-M32 PolarHBondContact O-N 3.37Å
29R83.3Confident82.3Confident17 Ų1769.3 Ų69.36%0.06436%0.355CS..Hα-helixtrans-55.5-48.9174.8173.7-169.7165.2135.53.4110.8F25 V27 Y31 M32 T33 N115 P118 A191F25-R29 VanDerWaalsContact O-CB 3.24Å; F25-R29 WeakPolarHBondContact O-CB 3.1Å; F25-R29 PolarHBondContact O-N 3.08Å; V27-R29 VanDerWaalsContact C-N 3.34Å; V27-R29 PolarHBondContact O-N 2.92Å; R29-Y31 VanDerWaalsContact C-N 3.35Å; R29-Y31 PolarHBondContact O-N 2.85Å; R29-M32 PolarHBondContact O-N 3.4Å; R29-T33 PolarHBondContact O-N 3Å; R29-T33 PolarHBondContact O-OG1 3.36Å; R29-N115 PolarHBondContact NH1-O 3.4Å; R29-N115 PolarHBondContact NH2-O 3.19Å; R29-N115 PolarHBondContact NH2-OD1 2.89Å; R29-N115 VanDerWaalsContact NH2-OD1 3.1Å; R29-P118 HydrophobicContact CG-CB 4.32Å; R29-P118 HydrophobicContact CG-CG 4.46Å; R29-A191 PolarHBondContact NE-O 3.05Å; R29-A191 PolarHBondContact NH2-O 2.71Å
30H84.2Confident80.9Confident13 Ų1374.3 Ų74.36%0.0637%0.374CS..Hα-helixtrans-55.7-49-179.3170.185.4000111.9G26 V27 L28 T33 I34 L186 N190G26-H30 WeakPolarHBondContact O-CB 3.42Å; G26-H30 PolarHBondContact O-N 2.9Å; V27-H30 WeakPolarHBondContact O-CB 3.25Å; V27-H30 PolarHBondContact O-N 2.9Å; L28-H30 VanDerWaalsContact C-N 3.33Å; L28-H30 PolarHBondContact O-N 3.5Å; H30-T33 PolarHBondContact O-N 3.21Å; H30-I34 WeakPolarHBondContact NE2-CD1 3.34Å; H30-I34 WeakPolarHBondContact O-CG1 3.38Å; H30-I34 PolarHBondContact O-N 3.06Å; H30-L186 HydrophobicContact CB-CD1 3.84Å; H30-N190 PolarHBondContact CE1-OD1 3.39Å; H30-N190 VanDerWaalsContact CE1-OD1 3.3Å
31Y85.6Confident79.2Confident136 Ų13678.7 Ų78.753%0.53339%0.389SS..Hα-helixtrans-67.7-37.4178-72.2-62.4000113.4V27 L28 R29 T33 I34 M35V27-Y31 HydrophobicContact CG1-CD2 3.85Å; V27-Y31 HydrophobicContact CG1-CE2 3.58Å; V27-Y31 VanDerWaalsContact O-CD2 3.27Å; V27-Y31 WeakPolarHBondContact O-CD2 3.31Å; V27-Y31 PolarHBondContact O-N 3.12Å; V27-Y31 VanDerWaalsContact O-N 3.15Å; L28-Y31 PolarHBondContact O-N 2.86Å; R29-Y31 VanDerWaalsContact C-N 3.35Å; R29-Y31 PolarHBondContact O-N 2.85Å; Y31-T33 VanDerWaalsContact C-N 3.32Å; Y31-T33 PolarHBondContact O-N 3.25Å; Y31-I34 PolarHBondContact O-N 2.82Å; Y31-M35 WeakPolarHBondContact O-CB 3.45Å; Y31-M35 PolarHBondContact O-N 3.1Å
32M83.6Confident77.9Confident64 Ų6477.3 Ų77.332%0.31539%0.391SS..Hα-helixtrans-60.2-44.9171.6-73.3-169.2-62.300110.8L28 R29 I34 M35 F36L28-M32 HydrophobicContact CD2-CE 4.43Å; L28-M32 HydrophobicContact CG-CE 4.03Å; L28-M32 HydrophobicContact CG-SD 4.44Å; L28-M32 WeakPolarHBondContact O-CG 3.47Å; L28-M32 PolarHBondContact O-N 3.37Å; R29-M32 PolarHBondContact O-N 3.4Å; M32-I34 PolarHBondContact O-N 2.81Å; M32-M35 PolarHBondContact O-N 2.96Å; M32-F36 HydrophobicContact CB-CD2 4.48Å; M32-F36 WeakPolarHBondContact O-CD2 3.28Å; M32-F36 PolarHBondContact O-N 3.43Å
33T80.3Confident77Confident15 Ų1581.5 Ų81.59%0.09241%0.411CS..Hα-helixtrans-63.2-43178.7-55.50000111.4R29 H30 Y31 M35 F36 S37 A191R29-T33 PolarHBondContact O-N 3Å; R29-T33 PolarHBondContact O-OG1 3.36Å; H30-T33 PolarHBondContact O-N 3.21Å; Y31-T33 VanDerWaalsContact C-N 3.32Å; Y31-T33 PolarHBondContact O-N 3.25Å; T33-M35 VanDerWaalsContact C-N 3.32Å; T33-M35 PolarHBondContact O-N 3.31Å; T33-F36 PolarHBondContact O-N 2.82Å; T33-S37 VanDerWaalsContact O-CB 3.27Å; T33-S37 WeakPolarHBondContact O-CB 3.28Å; T33-S37 PolarHBondContact O-N 3.38Å; T33-S37 PolarHBondContact O-OG 2.67Å; T33-A191 HydrophobicContact CG2-CB 3.47Å; T33-A191 VanDerWaalsContact CG2-CB 3.47Å
34I82.3Confident76.3Confident96 Ų9685.3 Ų85.349%0.49243%0.433SS..Hα-helixtrans-59.5-45.3175.1-69.4170.7000110.8H30 Y31 M32 F36 S37H30-I34 WeakPolarHBondContact NE2-CD1 3.34Å; H30-I34 WeakPolarHBondContact O-CG1 3.38Å; H30-I34 PolarHBondContact O-N 3.06Å; Y31-I34 PolarHBondContact O-N 2.82Å; M32-I34 PolarHBondContact O-N 2.81Å; I34-F36 VanDerWaalsContact C-N 3.33Å; I34-F36 PolarHBondContact O-N 2.81Å; I34-S37 PolarHBondContact O-N 3.09Å
35M81Confident75.7Confident151 Ų15185.1 Ų85.174%0.74443%0.429SS*.Hα-helixtrans-64.1-36.8-178.9-172-173.5-5900113Y31 M32 T33Y31-M35 WeakPolarHBondContact O-CB 3.45Å; Y31-M35 PolarHBondContact O-N 3.1Å; M32-M35 PolarHBondContact O-N 2.96Å; T33-M35 VanDerWaalsContact C-N 3.32Å; T33-M35 PolarHBondContact O-N 3.31Å
36F74.9Confident75.1Confident91 Ų9187.1 Ų87.140%0.39944%0.442SS..Hα-helixtrans-90.2-9.8179.3-72.3-66.9000114.1M32 T33 I34 S38 L114M32-F36 HydrophobicContact CB-CD2 4.48Å; M32-F36 WeakPolarHBondContact O-CD2 3.28Å; M32-F36 PolarHBondContact O-N 3.43Å; T33-F36 PolarHBondContact O-N 2.82Å; I34-F36 VanDerWaalsContact C-N 3.33Å; I34-F36 PolarHBondContact O-N 2.81Å; F36-S38 PolarHBondContact O-N 3.16Å; F36-S38 VanDerWaalsContact O-N 3.11Å; F36-L114 HydrophobicContact CB-CD1 3.56Å; F36-L114 HydrophobicContact CB-CD2 3.78Å; F36-L114 HydrophobicContact CB-CG 4.33Å; F36-L114 HydrophobicContact CD2-CD2 3.74Å; F36-L114 HydrophobicContact CG-CD1 4.49Å; F36-L114 HydrophobicContact CG-CD2 3.9Å
37S70.1Confident74.8Confident72 Ų7290.4 Ų90.450%0.50346%0.457SS..  trans-72.5106.1176.6-67.50000108.5T33 I34T33-S37 VanDerWaalsContact O-CB 3.27Å; T33-S37 WeakPolarHBondContact O-CB 3.28Å; T33-S37 PolarHBondContact O-N 3.38Å; T33-S37 PolarHBondContact O-OG 2.67Å; I34-S37 PolarHBondContact O-N 3.09Å
38S62Low74.7Confident92 Ų9290.7 Ų90.764%0.64347%0.466SS*.  trans-67.9140.8175-170.90000110.2F36 K40F36-S38 PolarHBondContact O-N 3.16Å; F36-S38 VanDerWaalsContact O-N 3.11Å; S38-K40 PolarHBondContact O-N 2.97Å; S38-K40 VanDerWaalsContact O-N 3.09Å
39E58.9Low74.6Confident173 Ų17386.2 Ų86.281%0.80844%0.443SS*.  trans-64.7108.9170.4-157.2175.7-154.400108.3K41E39-K41 PolarHBondContact O-N 3.41Å
40K59.8Low74.6Confident140 Ų14088.1 Ų88.161%0.60946%0.459SS*.  trans-75.985.9-174.4-70169174.4178.40109.7S38 G42 E43S38-K40 PolarHBondContact O-N 2.97Å; S38-K40 VanDerWaalsContact O-N 3.09Å; K40-G42 PolarHBondContact O-N 2.87Å; K40-G42 VanDerWaalsContact O-N 3.16Å; K40-E43 HydrophobicContact CB-CB 3.79Å; K40-E43 WeakPolarHBondContact CD-OE2 3.21Å; K40-E43 IonicContact NZ-OE2 3.54Å; K40-E43 VanDerWaalsContact O-CB 3.29Å; K40-E43 WeakPolarHBondContact O-CB 3.32Å; K40-E43 PolarHBondContact O-N 2.86Å
41K55.9Low74.8Confident178 Ų17892.8 Ų92.877%0.77448%0.48SS*.Hα-helixtrans-52.4-38.1178.2-68.9-176.1178.1179.90113.2E39 E43E39-K41 PolarHBondContact O-N 3.41Å; K41-E43 PolarHBondContact O-N 3.33Å
42G61.7Low74.9Confident37 Ų3786.8 Ų86.838%0.38146%0.458SS..Hα-helixtrans-67.7-18.4177.800000114.5K40 N46K40-G42 PolarHBondContact O-N 2.87Å; K40-G42 VanDerWaalsContact O-N 3.16Å; G42-N46 WeakPolarHBondContact O-CB 3.35Å; G42-N46 PolarHBondContact O-N 3.47Å; G42-N46 VanDerWaalsContact O-N 3.1Å; G42-N46 PolarHBondContact O-ND2 2.9Å
43E67.6Low75.1Confident95 Ų9584.8 Ų84.844%0.44445%0.449SS..Hα-helixtrans-71.3-39.5-177-169.9164.1-165.900111.8K40 K41 N46 I47K40-E43 HydrophobicContact CB-CB 3.79Å; K40-E43 WeakPolarHBondContact CD-OE2 3.21Å; K40-E43 IonicContact NZ-OE2 3.54Å; K40-E43 VanDerWaalsContact O-CB 3.29Å; K40-E43 WeakPolarHBondContact O-CB 3.32Å; K40-E43 PolarHBondContact O-N 2.86Å; K41-E43 PolarHBondContact O-N 3.33Å; E43-N46 PolarHBondContact O-N 3.48Å; E43-I47 HydrophobicContact CG-CD1 3.71Å; E43-I47 HydrophobicContact CG-CG1 4.31Å; E43-I47 VanDerWaalsContact O-CB 3.29Å; E43-I47 WeakPolarHBondContact O-CB 3.4Å; E43-I47 WeakPolarHBondContact O-CD1 3.36Å; E43-I47 WeakPolarHBondContact O-CG1 3.45Å; E43-I47 PolarHBondContact O-N 3.02Å
44L74.9Confident75.6Confident138 Ų13888 Ų8872%0.72347%0.465SS*.Hα-helixtrans-65.6-40.9178.1-68.7174.7000112.7G48L44-G48 PolarHBondContact O-N 3.46Å
45E76.8Confident76Confident99 Ų9991 Ų9146%0.46347%0.47SS..Hα-helixtrans-61.5-50.7174.4-113.7-166127.700110.9I47 G48 D49 R91E45-I47 VanDerWaalsContact C-N 3.32Å; E45-I47 PolarHBondContact O-N 3.46Å; E45-G48 PolarHBondContact O-N 2.81Å; E45-D49 WeakPolarHBondContact O-CB 3.46Å; E45-D49 VanDerWaalsContact O-CG 3.27Å; E45-D49 PolarHBondContact O-N 3.49Å; E45-R91 VanDerWaalsContact CD-NH1 3.26Å; E45-R91 IonicContact OE1-CZ 2.74Å; E45-R91 IonicContact OE1-NE 3.35Å; E45-R91 PolarHBondContact OE1-NE 3.33Å; E45-R91 VanDerWaalsContact OE1-NE 3.17Å; E45-R91 IonicContact OE1-NH1 3.02Å; E45-R91 PolarHBondContact OE1-NH1 2.95Å; E45-R91 IonicContact OE1-NH2 3.39Å; E45-R91 PolarHBondContact OE1-NH2 2.99Å
46N75.5Confident76.4Confident89 Ų8983.8 Ų83.848%0.47643%0.434SS..Hα-helixtrans-63.1-38.4-178.7-70.6-23.6000111.9G42 E43 S50G42-N46 WeakPolarHBondContact O-CB 3.35Å; G42-N46 PolarHBondContact O-N 3.47Å; G42-N46 VanDerWaalsContact O-N 3.1Å; G42-N46 PolarHBondContact O-ND2 2.9Å; E43-N46 PolarHBondContact O-N 3.48Å; N46-S50 VanDerWaalsContact O-CB 3.29Å; N46-S50 WeakPolarHBondContact O-CB 3.31Å; N46-S50 PolarHBondContact O-N 2.92Å
47I79.4Confident77.1Confident76 Ų7685.6 Ų85.639%0.3944%0.439SS..Hα-helixtrans-63.6-49.2173.5-72.8167.7000109.9E43 E45 D49 S50 H51E43-I47 HydrophobicContact CG-CD1 3.71Å; E43-I47 HydrophobicContact CG-CG1 4.31Å; E43-I47 VanDerWaalsContact O-CB 3.29Å; E43-I47 WeakPolarHBondContact O-CB 3.4Å; E43-I47 WeakPolarHBondContact O-CD1 3.36Å; E43-I47 WeakPolarHBondContact O-CG1 3.45Å; E43-I47 PolarHBondContact O-N 3.02Å; E45-I47 VanDerWaalsContact C-N 3.32Å; E45-I47 PolarHBondContact O-N 3.46Å; I47-D49 VanDerWaalsContact C-N 3.28Å; I47-D49 PolarHBondContact O-N 2.97Å; I47-S50 PolarHBondContact O-N 2.92Å; I47-H51 PolarHBondContact O-CD2 3.32Å; I47-H51 PolarHBondContact O-N 3.45Å
48G84Confident78.1Confident36 Ų3686.3 Ų86.337%0.37144%0.437SS..Hα-helixtrans-56.4-43.5178.200000112.4L44 E45 H51 A52L44-G48 PolarHBondContact O-N 3.46Å; E45-G48 PolarHBondContact O-N 2.81Å; G48-H51 PolarHBondContact O-N 2.83Å; G48-A52 PolarHBondContact O-N 2.82Å
49D84.6Confident79.4Confident3 Ų382.3 Ų82.32%0.01641%0.408CS..Hα-helixtrans-68.8-43.1179.1-71.71.2000112.5E45 I47 H51 A52 L53 R91 M212 F216E45-D49 WeakPolarHBondContact O-CB 3.46Å; E45-D49 VanDerWaalsContact O-CG 3.27Å; E45-D49 PolarHBondContact O-N 3.49Å; I47-D49 VanDerWaalsContact C-N 3.28Å; I47-D49 PolarHBondContact O-N 2.97Å; D49-H51 VanDerWaalsContact C-N 3.3Å; D49-H51 PolarHBondContact O-N 3.07Å; D49-A52 WeakPolarHBondContact O-CB 3.2Å; D49-A52 PolarHBondContact O-N 3.34Å; D49-A52 VanDerWaalsContact O-N 3.12Å; D49-L53 WeakPolarHBondContact O-CG 3.4Å; D49-L53 PolarHBondContact O-N 3.31Å; D49-R91 IonicContact OD1-CZ 3.22Å; D49-R91 VanDerWaalsContact OD1-CZ 3.27Å; D49-R91 IonicContact OD1-NH1 2.82Å; D49-R91 PolarHBondContact OD1-NH1 3.09Å; D49-R91 IonicContact OD1-NH2 2.59Å; D49-R91 WeakPolarHBondContact OD2-CD 3.36Å; D49-R91 WeakPolarHBondContact OD2-CG 3.15Å; D49-R91 IonicContact OD2-CZ 2.98Å; D49-R91 IonicContact OD2-NE 3.93Å; D49-R91 PolarHBondContact OD2-NE 3.23Å; D49-R91 IonicContact OD2-NH1 3.62Å; D49-R91 PolarHBondContact OD2-NH1 3.45Å; D49-M212 HydrophobicContact CB-CE 3.95Å; D49-M212 HydrophobicContact CB-CG 4.14Å; D49-M212 HydrophobicContact CB-SD 3.28Å; D49-M212 WeakPolarHBondContact CB-SD 3.29Å; D49-M212 VanDerWaalsContact CG-SD 3.58Å; D49-F216 HydrophobicContact CB-CE1 4.24Å; D49-F216 HydrophobicContact CB-CZ 3.74Å; D49-F216 VanDerWaalsContact CG-CZ 3.47Å
50S84.3Confident80.8Confident56 Ų5677.4 Ų77.439%0.39238%0.382SS..Hα-helixtrans-57-45.9173.1-179.30000110.9N46 I47 A52 L53 I54N46-S50 VanDerWaalsContact O-CB 3.29Å; N46-S50 WeakPolarHBondContact O-CB 3.31Å; N46-S50 PolarHBondContact O-N 2.92Å; I47-S50 PolarHBondContact O-N 2.92Å; S50-A52 PolarHBondContact O-N 2.84Å; S50-L53 PolarHBondContact O-N 3.22Å; S50-I54 VanDerWaalsContact O-CG1 3.26Å; S50-I54 WeakPolarHBondContact O-CG1 3.36Å; S50-I54 PolarHBondContact O-N 2.96Å
51H88.2Confident82.2Confident112 Ų11276.2 Ų76.252%0.51938%0.378SS..Hα-helixtrans-64.4-37.7175-79.6-68.8000112.8I47 G48 D49 I54 R55I47-H51 PolarHBondContact O-CD2 3.32Å; I47-H51 PolarHBondContact O-N 3.45Å; G48-H51 PolarHBondContact O-N 2.83Å; D49-H51 VanDerWaalsContact C-N 3.3Å; D49-H51 PolarHBondContact O-N 3.07Å; H51-I54 PolarHBondContact O-N 3.19Å; H51-R55 WeakPolarHBondContact O-CB 3.46Å; H51-R55 WeakPolarHBondContact O-CG 3.24Å; H51-R55 PolarHBondContact O-N 2.96Å
52A88.1Confident83.8Confident9 Ų970.8 Ų70.87%0.07436%0.358CS..Hα-helixtrans-62.8-44.6176.200000111.7G48 D49 S50 R55 S56 F78 F85G48-A52 PolarHBondContact O-N 2.82Å; D49-A52 WeakPolarHBondContact O-CB 3.2Å; D49-A52 PolarHBondContact O-N 3.34Å; D49-A52 VanDerWaalsContact O-N 3.12Å; S50-A52 PolarHBondContact O-N 2.84Å; A52-R55 PolarHBondContact O-N 3.47Å; A52-S56 PolarHBondContact O-N 3Å; A52-F78 HydrophobicContact CB-CE1 4.49Å; A52-F85 HydrophobicContact CB-CD1 3.92Å; A52-F85 HydrophobicContact CB-CE1 3.35Å; A52-F85 HydrophobicContact CB-CZ 3.86Å
53L88.1Confident84.9Confident22 Ų2269.1 Ų69.112%0.11534%0.341CS..Hα-helixtrans-60.9-46.5175-70.3171.2000111.7D49 S50 R55 S56 R57 F86 A215 F216 E219D49-L53 WeakPolarHBondContact O-CG 3.4Å; D49-L53 PolarHBondContact O-N 3.31Å; S50-L53 PolarHBondContact O-N 3.22Å; L53-R55 VanDerWaalsContact C-N 3.33Å; L53-R55 PolarHBondContact O-N 3.39Å; L53-S56 PolarHBondContact O-N 3.3Å; L53-R57 PolarHBondContact O-N 3.26Å; L53-F86 HydrophobicContact CD2-CE1 4.23Å; L53-A215 HydrophobicContact CD1-CB 4.24Å; L53-A215 HydrophobicContact CD2-CB 4.3Å; L53-F216 HydrophobicContact CD1-CE1 4.37Å; L53-F216 HydrophobicContact CD2-CD1 3.67Å; L53-F216 HydrophobicContact CD2-CE1 3.96Å; L53-F216 HydrophobicContact CG-CD1 4.18Å; L53-F216 HydrophobicContact CG-CE1 3.93Å; L53-E219 HydrophobicContact CD2-CB 4.24Å; L53-E219 HydrophobicContact CD2-CG 3.6Å
54I90.4Very high85.8Confident84 Ų8471 Ų7143%0.43134%0.344SS..Hα-helixtrans-60.1-44.2177.2-68.6164.7000110.6S50 H51 S56 R57 L58S50-I54 VanDerWaalsContact O-CG1 3.26Å; S50-I54 WeakPolarHBondContact O-CG1 3.36Å; S50-I54 PolarHBondContact O-N 2.96Å; H51-I54 PolarHBondContact O-N 3.19Å; I54-S56 PolarHBondContact O-N 3.32Å; I54-R57 PolarHBondContact O-N 3.44Å; I54-L58 HydrophobicContact CG2-CD1 3.98Å; I54-L58 HydrophobicContact CG2-CG 4.38Å; I54-L58 WeakPolarHBondContact O-CB 3.5Å; I54-L58 WeakPolarHBondContact O-CG 3.44Å; I54-L58 PolarHBondContact O-N 2.9Å
55R90.2Very high86.4Confident157 Ų15769.7 Ų69.759%0.59233%0.333SS*.Hα-helixtrans-64.5-38.1178.7-73.7175.270.6-177.42112.5H51 A52 L53 L59 F78H51-R55 WeakPolarHBondContact O-CB 3.46Å; H51-R55 WeakPolarHBondContact O-CG 3.24Å; H51-R55 PolarHBondContact O-N 2.96Å; A52-R55 PolarHBondContact O-N 3.47Å; L53-R55 VanDerWaalsContact C-N 3.33Å; L53-R55 PolarHBondContact O-N 3.39Å; R55-L59 PolarHBondContact O-N 2.93Å; R55-F78 HydrophobicContact CB-CZ 3.9Å
56S89.7Confident87Confident0 Ų066.3 Ų66.30%032%0.318CS..Hα-helixtrans-63.9-48.3172.8173.40000111.4A52 L53 I54 L58 L59 R60 F86 E219A52-S56 PolarHBondContact O-N 3Å; L53-S56 PolarHBondContact O-N 3.3Å; I54-S56 PolarHBondContact O-N 3.32Å; S56-L58 VanDerWaalsContact C-N 3.33Å; S56-L58 PolarHBondContact O-N 3.35Å; S56-L59 WeakPolarHBondContact O-CA 3.47Å; S56-L59 WeakPolarHBondContact O-CB 3.44Å; S56-L59 PolarHBondContact O-N 3.28Å; S56-R60 WeakPolarHBondContact O-CG 3.45Å; S56-R60 PolarHBondContact O-N 3.32Å; S56-F86 VanDerWaalsContact CB-CZ 3.47Å; S56-E219 PolarHBondContact OG-OE2 3.4Å; S56-E219 VanDerWaalsContact OG-OE2 3.07Å
57R89.8Confident87.7Confident129 Ų12965.7 Ų65.749%0.48732%0.318SS..Hα-helixtrans-58.5-44.8177.3-172.5-179.1-60.2178.91.2112.1L53 I54 L59 R60 E61L53-R57 PolarHBondContact O-N 3.26Å; I54-R57 PolarHBondContact O-N 3.44Å; R57-L59 VanDerWaalsContact C-N 3.26Å; R57-L59 PolarHBondContact O-N 3Å; R57-R60 PolarHBondContact O-N 3.16Å; R57-R60 VanDerWaalsContact O-N 3.07Å; R57-E61 HydrophobicContact CG-CG 4.39Å; R57-E61 WeakPolarHBondContact CG-OE1 3.12Å; R57-E61 PolarHBondContact O-N 2.6Å
58L90.3Very high88.1Confident88 Ų8864.4 Ų64.446%0.46132%0.319SS..Hα-helixtrans-59.7-36.8174.9-75.3171.9000112.3I54 S56 N62I54-L58 HydrophobicContact CG2-CD1 3.98Å; I54-L58 HydrophobicContact CG2-CG 4.38Å; I54-L58 WeakPolarHBondContact O-CB 3.5Å; I54-L58 WeakPolarHBondContact O-CG 3.44Å; I54-L58 PolarHBondContact O-N 2.9Å; S56-L58 VanDerWaalsContact C-N 3.33Å; S56-L58 PolarHBondContact O-N 3.35Å; L58-N62 WeakPolarHBondContact O-CA 3Å; L58-N62 WeakPolarHBondContact O-CB 3.31Å; L58-N62 PolarHBondContact O-N 2.62Å
59L90.6Very high88.4Confident7 Ų770.9 Ų70.94%0.03734%0.337CS..Hα-helixtrans-67.3-37.4174.6-176.364.6000111.9R55 S56 R57 G63 F71 R74 K75 F78 L223R55-L59 PolarHBondContact O-N 2.93Å; S56-L59 WeakPolarHBondContact O-CA 3.47Å; S56-L59 WeakPolarHBondContact O-CB 3.44Å; S56-L59 PolarHBondContact O-N 3.28Å; R57-L59 VanDerWaalsContact C-N 3.26Å; R57-L59 PolarHBondContact O-N 3Å; L59-G63 WeakPolarHBondContact O-CA 3.49Å; L59-G63 PolarHBondContact O-N 3.42Å; L59-F71 HydrophobicContact CD1-CD2 3.55Å; L59-F71 HydrophobicContact CD1-CE2 3.83Å; L59-F71 HydrophobicContact CD1-CG 4.48Å; L59-F71 HydrophobicContact CG-CD2 4.17Å; L59-F71 HydrophobicContact CG-CE2 3.91Å; L59-R74 HydrophobicContact CD1-CB 3.98Å; L59-R74 HydrophobicContact CD2-CB 3.72Å; L59-K75 HydrophobicContact CD2-CB 4.45Å; L59-F78 HydrophobicContact CD2-CD2 4.31Å; L59-L223 HydrophobicContact CD2-CD1 3.98Å; L59-L223 HydrophobicContact CD2-CD2 4.3Å; L59-L223 HydrophobicContact CG-CD1 4.26Å
60R87.8Confident88.7Confident71 Ų7172.4 Ų72.427%0.26835%0.35SS..Hα-helixtrans-67.6-47.6176.5-64.5-171.2-63.8115.7-2.6111.9S56 R57 E219 L223 V226S56-R60 WeakPolarHBondContact O-CG 3.45Å; S56-R60 PolarHBondContact O-N 3.32Å; R57-R60 PolarHBondContact O-N 3.16Å; R57-R60 VanDerWaalsContact O-N 3.07Å; R60-E219 IonicContact CZ-OE1 3.64Å; R60-E219 IonicContact CZ-OE2 3.32Å; R60-E219 IonicContact NE-OE1 3.91Å; R60-E219 IonicContact NE-OE2 2.81Å; R60-E219 PolarHBondContact NE-OE2 3.04Å; R60-E219 VanDerWaalsContact NH2-CD 3.31Å; R60-E219 IonicContact NH2-OE1 2.72Å; R60-E219 PolarHBondContact NH2-OE1 2.85Å; R60-E219 IonicContact NH2-OE2 3.14Å; R60-E219 PolarHBondContact NH2-OE2 2.85Å; R60-E219 VanDerWaalsContact NH2-OE2 3.14Å; R60-L223 HydrophobicContact CG-CB 4.43Å; R60-L223 HydrophobicContact CG-CD1 3.56Å; R60-V226 HydrophobicContact CB-CG2 4.29Å; R60-V226 HydrophobicContact CG-CG2 4.12Å
61E88.7Confident89.1Confident114 Ų11470 Ų7053%0.53333%0.332SS..Hα-helixtrans-78.4-39.5-175.1-67.6175.1-174.100112.9R57R57-E61 HydrophobicContact CG-CG 4.39Å; R57-E61 WeakPolarHBondContact CG-OE1 3.12Å; R57-E61 PolarHBondContact O-N 2.6Å
62N88.4Confident89.1Confident65 Ų6571.6 Ų71.635%0.34834%0.338SS..Hα-helixtrans-114.97.4-172.2-62.8-65.5000113.7L58 R64 F65L58-N62 WeakPolarHBondContact O-CA 3Å; L58-N62 WeakPolarHBondContact O-CB 3.31Å; L58-N62 PolarHBondContact O-N 2.62Å; N62-R64 PolarHBondContact O-N 2.91Å; N62-F65 HydrophobicContact CB-CD2 4.36Å; N62-F65 PolarHBondContact O-N 3.29Å
63G86.1Confident89.2Confident2 Ų276.9 Ų76.92%0.02136%0.362CS..G310 helixtrans-57.2-22.817900000114.8L59 F65 L66 H228L59-G63 WeakPolarHBondContact O-CA 3.49Å; L59-G63 PolarHBondContact O-N 3.42Å; G63-F65 PolarHBondContact O-N 2.91Å; G63-L66 PolarHBondContact O-N 3.24Å; G63-H228 PolarHBondContact O-CE1 2.98Å; G63-H228 PolarHBondContact O-ND1 3.33Å
64R86.2Confident89.4Confident134 Ų13482.5 Ų82.551%0.50638%0.382SS..G310 helixtrans-64.2-19.7178.466.8-178.4179.9178.8-3.7115.1N62 Q229 W230 A231N62-R64 PolarHBondContact O-N 2.91Å; R64-Q229 VanDerWaalsContact CA-O 3.23Å; R64-Q229 WeakPolarHBondContact CA-O 3.36Å; R64-Q229 WeakPolarHBondContact CB-O 3.13Å; R64-W230 WeakPolarHBondContact O-CZ3 3.47Å; R64-A231 HydrophobicContact CB-CB 3.99Å; R64-A231 HydrophobicContact CG-CB 3.97Å; R64-A231 WeakPolarHBondContact O-CB 3.35Å; R64-A231 PolarHBondContact O-N 3.39Å
65F87.7Confident89.4Confident111 Ų11180.1 Ų80.149%0.48737%0.369SS..G310 helixtrans-94.6-1.1177.7-58.1-68.8000113.5N62 G63 W230 A231 L232N62-F65 HydrophobicContact CB-CD2 4.36Å; N62-F65 PolarHBondContact O-N 3.29Å; G63-F65 PolarHBondContact O-N 2.91Å; F65-W230 WeakPolarHBondContact O-CZ3 3.09Å; F65-A231 HydrophobicContact CD1-CB 4.1Å; F65-A231 HydrophobicContact CE1-CB 4.09Å; F65-L232 HydrophobicContact CD1-CD1 4.49Å
66L89.4Confident89.3Confident28 Ų2878.8 Ų78.815%0.14736%0.364CS..SBendtrans-97.9138.6171.4-73.485.1000112.4G63 A70 F71 H228 W230G63-L66 PolarHBondContact O-N 3.24Å; L66-A70 HydrophobicContact CB-CB 4.37Å; L66-A70 HydrophobicContact CD2-CB 4.25Å; L66-F71 HydrophobicContact CB-CB 4.47Å; L66-H228 PolarHBondContact O-CE1 3.5Å; L66-H228 PolarHBondContact O-NE2 3.35Å; L66-W230 VanDerWaalsContact O-CE3 3.22Å; L66-W230 WeakPolarHBondContact O-CZ3 3.25Å
67P89.6Confident89.3Confident76 Ų7683.7 Ų83.749%0.49439%0.386SS..  trans-54.1148.1173.2-2633.9000111.6K69 A70 F71 W230P67-K69 PolarHBondContact O-N 3.15Å; P67-A70 WeakPolarHBondContact O-CA 3.42Å; P67-A70 WeakPolarHBondContact O-CB 3.27Å; P67-A70 PolarHBondContact O-N 3.41Å; P67-F71 PolarHBondContact O-N 3.44Å; P67-W230 HydrophobicContact CG-CH2 4.24Å
68A88.2Confident89.3Confident48 Ų4878 Ų7840%0.39736%0.364SS..Hα-helixtrans-51-39-174.500000113.9K72 H228A68-K72 WeakPolarHBondContact O-CB 3.3Å; A68-K72 WeakPolarHBondContact O-CG 3.18Å; A68-K72 PolarHBondContact O-N 3.2Å; A68-H228 VanDerWaalsContact CA-CD2 3.47Å; A68-H228 WeakPolarHBondContact CA-CD2 3.38Å
69K90.8Very high89Confident173 Ų17374.1 Ų74.175%0.75235%0.345SS*.Hα-helixtrans-62.4-46.6175.5-173.7178.1-179.7179.50111.9P67 K72 M73P67-K69 PolarHBondContact O-N 3.15Å; K69-K72 PolarHBondContact O-N 3.44Å; K69-M73 WeakPolarHBondContact O-CG 3.2Å; K69-M73 PolarHBondContact O-N 2.81Å
70A90.5Very high88.7Confident35 Ų3575 Ų7529%0.28935%0.349SS..Hα-helixtrans-67.5-39.6-179.600000111.8L66 P67 R74L66-A70 HydrophobicContact CB-CB 4.37Å; L66-A70 HydrophobicContact CD2-CB 4.25Å; P67-A70 WeakPolarHBondContact O-CA 3.42Å; P67-A70 WeakPolarHBondContact O-CB 3.27Å; P67-A70 PolarHBondContact O-N 3.41Å; A70-R74 WeakPolarHBondContact O-CG 3.45Å; A70-R74 PolarHBondContact O-N 3.48Å; A70-R74 VanDerWaalsContact O-N 3.12Å
71F91.9Very high88.1Confident6 Ų678.5 Ų78.53%0.02637%0.366CS..Hα-helixtrans-60-50.5173.8178.2-91.8000111.4L59 L66 P67 M73 R74 K75 V226 H228L59-F71 HydrophobicContact CD1-CD2 3.55Å; L59-F71 HydrophobicContact CD1-CE2 3.83Å; L59-F71 HydrophobicContact CD1-CG 4.48Å; L59-F71 HydrophobicContact CG-CD2 4.17Å; L59-F71 HydrophobicContact CG-CE2 3.91Å; L66-F71 HydrophobicContact CB-CB 4.47Å; P67-F71 PolarHBondContact O-N 3.44Å; F71-M73 PolarHBondContact O-N 2.98Å; F71-R74 PolarHBondContact O-N 3.23Å; F71-K75 HydrophobicContact CE1-CB 4.43Å; F71-K75 HydrophobicContact CE1-CD 4.02Å; F71-K75 HydrophobicContact CZ-CD 4.43Å; F71-K75 WeakPolarHBondContact O-CB 3.45Å; F71-K75 PolarHBondContact O-N 2.93Å; F71-V226 HydrophobicContact CE2-CG1 4.47Å; F71-V226 HydrophobicContact CZ-CG1 3.96Å; F71-H228 HydrophobicContact CD1-CB 3.54Å; F71-H228 AromaticContact CD1-CG 3.93Å; F71-H228 AromaticContact CD1-ND1 3.91Å; F71-H228 AromaticContact CD2-ND1 3.84Å; F71-H228 HydrophobicContact CE1-CB 3.85Å; F71-H228 HydrophobicContact CG-CB 4.06Å; F71-H228 AromaticContact CG-CG 3.94Å; F71-H228 AromaticContact CG-ND1 3.47Å; F71-H228 WeakPolarHBondContact CG-ND1 3.47Å
72K89.7Confident87.5Confident144 Ų14480.3 Ų80.363%0.62638%0.375SS*.Hα-helixtrans-59.9-42.5179.3-74.6-178.9-179-1760112.6A68 K69 R74 K75 Y76A68-K72 WeakPolarHBondContact O-CB 3.3Å; A68-K72 WeakPolarHBondContact O-CG 3.18Å; A68-K72 PolarHBondContact O-N 3.2Å; K69-K72 PolarHBondContact O-N 3.44Å; K72-R74 PolarHBondContact O-N 2.81Å; K72-K75 PolarHBondContact O-N 3.42Å; K72-Y76 WeakPolarHBondContact O-CB 3.37Å; K72-Y76 PolarHBondContact O-N 2.98Å
73M90.2Very high87Confident120 Ų12083.6 Ų83.659%0.59139%0.388SS*.Hα-helixtrans-61.5-41.3176.5-71.8-58.4-59.100112.5K69 F71 Y76 F77K69-M73 WeakPolarHBondContact O-CG 3.2Å; K69-M73 PolarHBondContact O-N 2.81Å; F71-M73 PolarHBondContact O-N 2.98Å; M73-Y76 PolarHBondContact O-N 3.25Å; M73-F77 PolarHBondContact O-N 3.35Å
74R91.6Very high86.8Confident141 Ų14183.5 Ų83.553%0.53239%0.387SS..Hα-helixtrans-72.2-38.6177.6-66.6179.5-171.3-163.86.1111.9L59 A70 F71 K72 Y76 F77 F78L59-R74 HydrophobicContact CD1-CB 3.98Å; L59-R74 HydrophobicContact CD2-CB 3.72Å; A70-R74 WeakPolarHBondContact O-CG 3.45Å; A70-R74 PolarHBondContact O-N 3.48Å; A70-R74 VanDerWaalsContact O-N 3.12Å; F71-R74 PolarHBondContact O-N 3.23Å; K72-R74 PolarHBondContact O-N 2.81Å; R74-Y76 VanDerWaalsContact C-N 3.31Å; R74-Y76 PolarHBondContact O-N 3.02Å; R74-F77 PolarHBondContact O-N 3.4Å; R74-F78 WeakPolarHBondContact O-CD2 3.27Å
75K89.7Confident86.7Confident34 Ų3479.1 Ų79.115%0.14837%0.371CS..Hα-helixtrans-59.9-44172.7-179.2169179171.20110.3L59 F71 K72 F77 F78 N79 L223 E224 V226L59-K75 HydrophobicContact CD2-CB 4.45Å; F71-K75 HydrophobicContact CE1-CB 4.43Å; F71-K75 HydrophobicContact CE1-CD 4.02Å; F71-K75 HydrophobicContact CZ-CD 4.43Å; F71-K75 WeakPolarHBondContact O-CB 3.45Å; F71-K75 PolarHBondContact O-N 2.93Å; K72-K75 PolarHBondContact O-N 3.42Å; K75-F77 PolarHBondContact O-N 3.16Å; K75-F78 PolarHBondContact O-N 3.39Å; K75-N79 HydrophobicContact CG-CB 4.43Å; K75-N79 WeakPolarHBondContact O-CB 3.42Å; K75-N79 PolarHBondContact O-N 3.46Å; K75-L223 WeakPolarHBondContact CE-O 3.47Å; K75-L223 HydrophobicContact CG-CD2 4.36Å; K75-L223 HydrophobicContact CG-CG 4.16Å; K75-L223 PolarHBondContact NZ-O 3.28Å; K75-E224 PolarHBondContact NZ-O 3.26Å; K75-V226 PolarHBondContact NZ-O 2.89Å
76Y89.4Confident86.5Confident128 Ų12874.1 Ų74.150%0.50235%0.35SS..Hα-helixtrans-58.5-44.4177.7-173.5-100.7000112.8K72 M73 R74 F78 D80K72-Y76 WeakPolarHBondContact O-CB 3.37Å; K72-Y76 PolarHBondContact O-N 2.98Å; M73-Y76 PolarHBondContact O-N 3.25Å; R74-Y76 VanDerWaalsContact C-N 3.31Å; R74-Y76 PolarHBondContact O-N 3.02Å; Y76-F78 PolarHBondContact O-N 3.28Å; Y76-D80 HydrophobicContact CD1-CB 4.48Å; Y76-D80 HydrophobicContact CD2-CB 3.97Å; Y76-D80 HydrophobicContact CE1-CB 4.26Å; Y76-D80 HydrophobicContact CE2-CB 3.71Å; Y76-D80 VanDerWaalsContact CE2-CG 3.4Å; Y76-D80 WeakPolarHBondContact CE2-OD1 3.13Å; Y76-D80 HydrophobicContact CG-CB 4.34Å; Y76-D80 VanDerWaalsContact CZ-CG 3.41Å; Y76-D80 WeakPolarHBondContact O-CB 3.13Å; Y76-D80 PolarHBondContact O-N 3.31Å; Y76-D80 PolarHBondContact OH-OD1 3.05Å; Y76-D80 PolarHBondContact OH-OD2 3.25Å
77F89.1Confident85.8Confident104 Ų10478.4 Ų78.446%0.45637%0.367SS..Hα-helixtrans-55.8-35.8177.6176.3-96.6000113.7M73 R74 K75 F85M73-F77 PolarHBondContact O-N 3.35Å; R74-F77 PolarHBondContact O-N 3.4Å; K75-F77 PolarHBondContact O-N 3.16Å; F77-F85 HydrophobicContact CE1-CB 4.09Å; F77-F85 HydrophobicContact CE1-CD2 4.46Å; F77-F85 HydrophobicContact CE1-CG 4.42Å; F77-F85 HydrophobicContact CZ-CB 4.41Å; F77-F85 HydrophobicContact CZ-CD2 4.27Å; F77-F85 PolarHBondContact O-N 3.06Å
78F88.8Confident85.2Confident8 Ų878.7 Ų78.74%0.03537%0.368CS..Hα-helixtrans-90.9-43.7-178.9-68.4-65.6000113.1A52 R55 L59 R74 K75 Y76 G84 F85 F86 L223A52-F78 HydrophobicContact CB-CE1 4.49Å; R55-F78 HydrophobicContact CB-CZ 3.9Å; L59-F78 HydrophobicContact CD2-CD2 4.31Å; R74-F78 WeakPolarHBondContact O-CD2 3.27Å; K75-F78 PolarHBondContact O-N 3.39Å; Y76-F78 PolarHBondContact O-N 3.28Å; F78-G84 CarbonylContact O-C 3.51Å; F78-G84 WeakPolarHBondContact O-CA 3.3Å; F78-F85 HydrophobicContact CD1-CB 4.24Å; F78-F85 PolarHBondContact O-N 2.96Å; F78-F86 HydrophobicContact CB-CD2 3.85Å; F78-F86 HydrophobicContact CB-CE2 3.68Å; F78-F86 HydrophobicContact CB-CZ 4.5Å; F78-F86 HydrophobicContact CD1-CD2 4.3Å; F78-F86 HydrophobicContact CD1-CE1 4.21Å; F78-F86 AromaticContact CD1-CE2 3.7Å; F78-F86 HydrophobicContact CD1-CE2 3.7Å; F78-F86 AromaticContact CD1-CZ 3.64Å; F78-F86 HydrophobicContact CD1-CZ 3.64Å; F78-F86 HydrophobicContact CE1-CZ 4.2Å; F78-F86 HydrophobicContact CG-CD2 4.47Å; F78-F86 AromaticContact CG-CE2 3.9Å; F78-F86 HydrophobicContact CG-CE2 3.9Å; F78-F86 HydrophobicContact CG-CZ 4.28Å; F78-F86 PolarHBondContact O-N 3.37Å; F78-L223 HydrophobicContact CB-CD2 3.63Å; F78-L223 HydrophobicContact CD2-CD2 4.22Å; F78-L223 HydrophobicContact CG-CD2 4.28Å
79N85.1Confident84.4Confident8 Ų879.4 Ų79.44%0.04336%0.363CS..Hα-helixtrans-101-3.2-167.9-90.627.4000115.6K75 K81 W220 E224K75-N79 HydrophobicContact CG-CB 4.43Å; K75-N79 WeakPolarHBondContact O-CB 3.42Å; K75-N79 PolarHBondContact O-N 3.46Å; N79-K81 PolarHBondContact O-N 3.42Å; N79-W220 PolarHBondContact ND2-O 2.83Å; N79-W220 PolarHBondContact O-NE1 3.02Å; N79-W220 WeakPolarHBondContact OD1-CA 3.49Å; N79-W220 VanDerWaalsContact OD1-CD1 3.31Å; N79-W220 PolarHBondContact OD1-O 3.15Å; N79-E224 VanDerWaalsContact ND2-CA 3.33Å; N79-E224 WeakPolarHBondContact ND2-CA 3.45Å; N79-E224 PolarHBondContact ND2-N 3.37Å; N79-E224 PolarHBondContact ND2-OE2 2.83Å
80D83.8Confident83.4Confident26 Ų2679.8 Ų79.814%0.13936%0.364CS..  trans-53.9139-178.8-178.150.9000112.1Y76 E82 H83 G84Y76-D80 HydrophobicContact CD1-CB 4.48Å; Y76-D80 HydrophobicContact CD2-CB 3.97Å; Y76-D80 HydrophobicContact CE1-CB 4.26Å; Y76-D80 HydrophobicContact CE2-CB 3.71Å; Y76-D80 VanDerWaalsContact CE2-CG 3.4Å; Y76-D80 WeakPolarHBondContact CE2-OD1 3.13Å; Y76-D80 HydrophobicContact CG-CB 4.34Å; Y76-D80 VanDerWaalsContact CZ-CG 3.41Å; Y76-D80 WeakPolarHBondContact O-CB 3.13Å; Y76-D80 PolarHBondContact O-N 3.31Å; Y76-D80 PolarHBondContact OH-OD1 3.05Å; Y76-D80 PolarHBondContact OH-OD2 3.25Å; D80-E82 PolarHBondContact O-N 3.29Å; D80-E82 PolarHBondContact OD2-N 2.8Å; D80-H83 WeakPolarHBondContact OD2-CB 3.26Å; D80-H83 IonicContact OD2-CG 3.27Å; D80-H83 PolarHBondContact OD2-N 2.83Å; D80-H83 IonicContact OD2-ND1 2.79Å; D80-H83 PolarHBondContact OD2-ND1 3.11Å; D80-G84 VanDerWaalsContact O-CA 3.31Å; D80-G84 WeakPolarHBondContact O-CA 3.01Å; D80-G84 PolarHBondContact O-N 2.98Å
81K76.1Confident82.5Confident143 Ų14379.8 Ų79.862%0.62236%0.357SS*.THydrogen-bonded Turntrans-69.1-22.5-171-69.2-176.7-179179.20112.4N79 K87N79-K81 PolarHBondContact O-N 3.42Å; K81-K87 WeakPolarHBondContact O-CD 3.13Å; K81-K87 WeakPolarHBondContact O-CE 3.39Å; K81-K87 PolarHBondContact O-NZ 2.83Å
82E75.3Confident81.1Confident152 Ų15288.4 Ų88.471%0.7140%0.397SS*.THydrogen-bonded Turntrans-113.9-43.8-179.1-64.8-171.4168.500111.6D80 T88D80-E82 PolarHBondContact O-N 3.29Å; D80-E82 PolarHBondContact OD2-N 2.8Å; E82-T88 PolarHBondContact O-OG1 3.21Å
83H77.2Confident79.5Confident134 Ų13484.1 Ų84.162%0.6239%0.385SS*.THydrogen-bonded Turntrans-114.79.7-171.5-5289.4000114D80 F85D80-H83 WeakPolarHBondContact OD2-CB 3.26Å; D80-H83 IonicContact OD2-CG 3.27Å; D80-H83 PolarHBondContact OD2-N 2.83Å; D80-H83 IonicContact OD2-ND1 2.79Å; D80-H83 PolarHBondContact OD2-ND1 3.11Å; H83-F85 PolarHBondContact O-N 3.05Å
84G82Confident77.8Confident0 Ų081 Ų810%037%0.374CS..  trans-66.9133.1179.800000111.3F78 D80 F86 K87 T88F78-G84 CarbonylContact O-C 3.51Å; F78-G84 WeakPolarHBondContact O-CA 3.3Å; D80-G84 VanDerWaalsContact O-CA 3.31Å; D80-G84 WeakPolarHBondContact O-CA 3.01Å; D80-G84 PolarHBondContact O-N 2.98Å; G84-F86 PolarHBondContact O-N 3.25Å; G84-F86 VanDerWaalsContact O-N 3.12Å; G84-K87 PolarHBondContact O-N 2.93Å; G84-T88 PolarHBondContact O-N 2.8Å; G84-T88 PolarHBondContact O-OG1 3.5Å
85F84Confident75.9Confident42 Ų4280.5 Ų80.518%0.18438%0.379CS..Hα-helixtrans-49.9-43.3-177.3-176.3-90.8000112.7A52 F77 F78 H83 K87 Q89 F216A52-F85 HydrophobicContact CB-CD1 3.92Å; A52-F85 HydrophobicContact CB-CE1 3.35Å; A52-F85 HydrophobicContact CB-CZ 3.86Å; F77-F85 HydrophobicContact CE1-CB 4.09Å; F77-F85 HydrophobicContact CE1-CD2 4.46Å; F77-F85 HydrophobicContact CE1-CG 4.42Å; F77-F85 HydrophobicContact CZ-CB 4.41Å; F77-F85 HydrophobicContact CZ-CD2 4.27Å; F77-F85 PolarHBondContact O-N 3.06Å; F78-F85 HydrophobicContact CD1-CB 4.24Å; F78-F85 PolarHBondContact O-N 2.96Å; H83-F85 PolarHBondContact O-N 3.05Å; F85-K87 VanDerWaalsContact C-N 3.25Å; F85-K87 PolarHBondContact O-N 3.15Å; F85-Q89 HydrophobicContact CD1-CG 4.36Å; F85-Q89 HydrophobicContact CD2-CG 4.01Å; F85-Q89 HydrophobicContact CE1-CG 4.14Å; F85-Q89 HydrophobicContact CE2-CG 3.78Å; F85-Q89 HydrophobicContact CG-CG 4.29Å; F85-Q89 HydrophobicContact CZ-CG 3.85Å; F85-Q89 VanDerWaalsContact O-CB 3.32Å; F85-Q89 WeakPolarHBondContact O-CB 3.11Å; F85-Q89 VanDerWaalsContact O-CG 3.31Å; F85-Q89 WeakPolarHBondContact O-CG 3.25Å; F85-Q89 PolarHBondContact O-N 2.78Å; F85-Q89 VanDerWaalsContact O-N 3.12Å; F85-F216 HydrophobicContact CE1-CE1 4.42Å; F85-F216 HydrophobicContact CE1-CZ 4.11Å
86F83.3Confident74.1Confident7 Ų784.9 Ų84.93%0.03141%0.405CS..Hα-helixtrans-71-15.4-178.4-64.2-40.1000114.9L53 S56 F78 G84 F216 E219 W220L53-F86 HydrophobicContact CD2-CE1 4.23Å; S56-F86 VanDerWaalsContact CB-CZ 3.47Å; F78-F86 HydrophobicContact CB-CD2 3.85Å; F78-F86 HydrophobicContact CB-CE2 3.68Å; F78-F86 HydrophobicContact CB-CZ 4.5Å; F78-F86 HydrophobicContact CD1-CD2 4.3Å; F78-F86 HydrophobicContact CD1-CE1 4.21Å; F78-F86 AromaticContact CD1-CE2 3.7Å; F78-F86 HydrophobicContact CD1-CE2 3.7Å; F78-F86 AromaticContact CD1-CZ 3.64Å; F78-F86 HydrophobicContact CD1-CZ 3.64Å; F78-F86 HydrophobicContact CE1-CZ 4.2Å; F78-F86 HydrophobicContact CG-CD2 4.47Å; F78-F86 AromaticContact CG-CE2 3.9Å; F78-F86 HydrophobicContact CG-CE2 3.9Å; F78-F86 HydrophobicContact CG-CZ 4.28Å; F78-F86 PolarHBondContact O-N 3.37Å; G84-F86 PolarHBondContact O-N 3.25Å; G84-F86 VanDerWaalsContact O-N 3.12Å; F86-F216 HydrophobicContact CB-CB 4.12Å; F86-F216 HydrophobicContact CD1-CB 3.97Å; F86-F216 AromaticContact CD1-CD1 3.44Å; F86-F216 HydrophobicContact CD1-CD1 3.44Å; F86-F216 VanDerWaalsContact CD1-CD1 3.44Å; F86-F216 HydrophobicContact CD1-CE1 4.04Å; F86-F216 AromaticContact CD1-CG 3.79Å; F86-F216 HydrophobicContact CD1-CG 3.79Å; F86-F216 AromaticContact CE1-CD1 3.69Å; F86-F216 HydrophobicContact CE1-CD1 3.69Å; F86-F216 HydrophobicContact CE1-CE1 4.03Å; F86-F216 HydrophobicContact CE1-CG 4.48Å; F86-F216 HydrophobicContact CG-CB 4.35Å; F86-E219 HydrophobicContact CD2-CB 4.45Å; F86-E219 HydrophobicContact CE2-CB 3.97Å; F86-E219 HydrophobicContact CZ-CB 4.1Å; F86-W220 HydrophobicContact CB-CB 4.12Å; F86-W220 HydrophobicContact CD2-CB 4.27Å
87K76.4Confident72.2Confident117 Ų11783.7 Ų83.751%0.50941%0.407SS..Hα-helixtrans-102.7-38.2179.2-163.2177.6178.9-177.40112.3K81 G84 F85K81-K87 WeakPolarHBondContact O-CD 3.13Å; K81-K87 WeakPolarHBondContact O-CE 3.39Å; K81-K87 PolarHBondContact O-NZ 2.83Å; G84-K87 PolarHBondContact O-N 2.93Å; F85-K87 VanDerWaalsContact C-N 3.25Å; F85-K87 PolarHBondContact O-N 3.15Å
88T76Confident70.4Confident83 Ų8380.3 Ų80.351%0.50940%0.395SS..Hα-helixtrans-73-37.9179.6-48.50000111.5E82 G84 K90E82-T88 PolarHBondContact O-OG1 3.21Å; G84-T88 PolarHBondContact O-N 2.8Å; G84-T88 PolarHBondContact O-OG1 3.5Å; T88-K90 PolarHBondContact O-N 3.3Å
89Q72.4Confident68.7Low63 Ų6387.6 Ų87.629%0.29443%0.432SS..  trans-76.7107.3176.7-62.1-64.1-21.400109.5F85 Q213 F216F85-Q89 HydrophobicContact CD1-CG 4.36Å; F85-Q89 HydrophobicContact CD2-CG 4.01Å; F85-Q89 HydrophobicContact CE1-CG 4.14Å; F85-Q89 HydrophobicContact CE2-CG 3.78Å; F85-Q89 HydrophobicContact CG-CG 4.29Å; F85-Q89 HydrophobicContact CZ-CG 3.85Å; F85-Q89 VanDerWaalsContact O-CB 3.32Å; F85-Q89 WeakPolarHBondContact O-CB 3.11Å; F85-Q89 VanDerWaalsContact O-CG 3.31Å; F85-Q89 WeakPolarHBondContact O-CG 3.25Å; F85-Q89 PolarHBondContact O-N 2.78Å; F85-Q89 VanDerWaalsContact O-N 3.12Å; Q89-Q213 PolarHBondContact O-NE2 3.14Å; Q89-Q213 PolarHBondContact O-OE1 3.29Å; Q89-F216 HydrophobicContact CB-CE2 4.15Å
90K69.8Low67.4Low180 Ų18090 Ų9078%0.78345%0.453SS*.  trans-96.9109.8168.2-72.4-177.4-178.51770108.5T88T88-K90 PolarHBondContact O-N 3.3Å
91R70.5Confident66.1Low35 Ų3592.3 Ų92.313%0.13247%0.465CS..PPolyproline II helixtrans-93.7131.2169.8-58.2-66.3146.8128.2-12.5108.1E45 D49 S93 M212 F216E45-R91 VanDerWaalsContact CD-NH1 3.26Å; E45-R91 IonicContact OE1-CZ 2.74Å; E45-R91 IonicContact OE1-NE 3.35Å; E45-R91 PolarHBondContact OE1-NE 3.33Å; E45-R91 VanDerWaalsContact OE1-NE 3.17Å; E45-R91 IonicContact OE1-NH1 3.02Å; E45-R91 PolarHBondContact OE1-NH1 2.95Å; E45-R91 IonicContact OE1-NH2 3.39Å; E45-R91 PolarHBondContact OE1-NH2 2.99Å; D49-R91 IonicContact OD1-CZ 3.22Å; D49-R91 VanDerWaalsContact OD1-CZ 3.27Å; D49-R91 IonicContact OD1-NH1 2.82Å; D49-R91 PolarHBondContact OD1-NH1 3.09Å; D49-R91 IonicContact OD1-NH2 2.59Å; D49-R91 WeakPolarHBondContact OD2-CD 3.36Å; D49-R91 WeakPolarHBondContact OD2-CG 3.15Å; D49-R91 IonicContact OD2-CZ 2.98Å; D49-R91 IonicContact OD2-NE 3.93Å; D49-R91 PolarHBondContact OD2-NE 3.23Å; D49-R91 IonicContact OD2-NH1 3.62Å; D49-R91 PolarHBondContact OD2-NH1 3.45Å; R91-S93 PolarHBondContact O-N 3.37Å; R91-M212 HydrophobicContact CB-CB 4.14Å; R91-M212 HydrophobicContact CG-CB 4.3Å; R91-M212 HydrophobicContact CG-CG 4.18Å; R91-F216 HydrophobicContact CG-CE2 3.76Å
92E62.3Low65.5Low187 Ų18789.8 Ų89.887%0.87446%0.463SS*.PPolyproline II helixtrans-62.2127.6170.6-65-165.6162.600107.7P94E92-P94 WeakPolarHBondContact O-CD 3.4Å
93S56.5Low65.1Low54 Ų5485.1 Ų85.138%0.37845%0.447SS..PPolyproline II helixtrans-66.3116.8170.2-85.10000107.9R91 M95 D211R91-S93 PolarHBondContact O-N 3.37Å; S93-M95 PolarHBondContact O-N 3.49Å; S93-D211 WeakPolarHBondContact CA-OD1 3.43Å; S93-D211 WeakPolarHBondContact CB-OD1 3.05Å; S93-D211 PolarHBondContact OG-OD1 2.83Å
94P54.3Low64.6Low54 Ų5483.3 Ų83.335%0.35144%0.44SS..THydrogen-bonded Turntrans-72.532.2167.932.7-35000111.1E92 N96 P209E92-P94 WeakPolarHBondContact O-CD 3.4Å; P94-N96 CarbonylContact O-C 3.24Å; P94-N96 VanDerWaalsContact O-C 3.24Å; P94-N96 PolarHBondContact O-N 3.29Å; P94-P209 HydrophobicContact CB-CB 4.5Å; P94-P209 HydrophobicContact CB-CG 4.1Å; P94-P209 HydrophobicContact CG-CB 3.67Å; P94-P209 HydrophobicContact CG-CG 3.7Å
95M51.6Low63.9Low132 Ų13284.8 Ų84.865%0.6545%0.453SS*.THydrogen-bonded Turntrans-62-10.6175.7-113.3-179.160.900112.5S93 N97 D211 K214S93-M95 PolarHBondContact O-N 3.49Å; M95-N97 VanDerWaalsContact C-N 3.27Å; M95-N97 PolarHBondContact O-N 3.29Å; M95-D211 WeakPolarHBondContact CG-OD2 3.41Å; M95-D211 VanDerWaalsContact SD-OD2 3.39Å; M95-K214 PolarHBondContact SD-NZ 3.03Å
96N51.5Low63.4Low126 Ų12686.9 Ų86.967%0.67447%0.469SS*.SBendtrans-71.295.6155-103.25.3000107.7P94P94-N96 CarbonylContact O-C 3.24Å; P94-N96 VanDerWaalsContact O-C 3.24Å; P94-N96 PolarHBondContact O-N 3.29Å
97N50.1Low62.7Low102 Ų10292.2 Ų92.255%0.54549%0.494SS..  trans-4.8115.5161.9-150.911.3000111.8M95 M99 A100M95-N97 VanDerWaalsContact C-N 3.27Å; M95-N97 PolarHBondContact O-N 3.29Å; N97-M99 PolarHBondContact O-N 3.34Å; N97-A100 HydrophobicContact CB-CB 4.07Å; N97-A100 WeakPolarHBondContact O-CA 3.31Å; N97-A100 VanDerWaalsContact O-CB 3.25Å; N97-A100 WeakPolarHBondContact O-CB 3.32Å; N97-A100 PolarHBondContact O-N 3.45Å
98P51Low62.4Low34 Ų3491.6 Ų91.622%0.22149%0.494CS..THydrogen-bonded Turntrans-58.5-15-175.516.2-28000114.1P206 P209P98-P206 HydrophobicContact CG-CB 4.18Å; P98-P209 HydrophobicContact CG-CG 4.48Å
99M54Low62.4Low161 Ų16193.2 Ų93.279%0.79350%0.499SS*.THydrogen-bonded Turntrans-78.1-20.3168-82.3170.770.500115.1N97N97-M99 PolarHBondContact O-N 3.34Å
100A56.8Low62.5Low59 Ų5997.1 Ų97.149%0.48851%0.511SS..THydrogen-bonded Turntrans-78.2-24.4175.900000112.2N97 P102N97-A100 HydrophobicContact CB-CB 4.07Å; N97-A100 WeakPolarHBondContact O-CA 3.31Å; N97-A100 VanDerWaalsContact O-CB 3.25Å; N97-A100 WeakPolarHBondContact O-CB 3.32Å; N97-A100 PolarHBondContact O-N 3.45Å; A100-P102 WeakPolarHBondContact O-CD 3.42Å
101D57.9Low62.7Low73 Ų7391.5 Ų91.539%0.3949%0.494SS..  trans-90.7102.4175.2-146.1-34.8000109.9S103 M104 A105D101-S103 PolarHBondContact O-N 2.61Å; D101-S103 VanDerWaalsContact O-N 3.13Å; D101-S103 PolarHBondContact OD1-OG 3.31Å; D101-M104 PolarHBondContact O-N 2.86Å; D101-A105 PolarHBondContact O-N 3.41Å
102P61.9Low62.9Low90 Ų9093.5 Ų93.558%0.58451%0.508SS*.Hα-helixtrans-60.8-25.8-176.723.6-32.7000111.9A100 T106A100-P102 WeakPolarHBondContact O-CD 3.42Å; P102-T106 WeakPolarHBondContact O-CB 3.49Å; P102-T106 WeakPolarHBondContact O-CG2 3.21Å; P102-T106 PolarHBondContact O-N 3.45Å; P102-T106 PolarHBondContact O-OG1 3.47Å
103S68.5Low63.8Low55 Ų5586.5 Ų86.539%0.38548%0.482SS..Hα-helixtrans-61.2-54.2177.762.20000112D101 A105 T106 E107D101-S103 PolarHBondContact O-N 2.61Å; D101-S103 VanDerWaalsContact O-N 3.13Å; D101-S103 PolarHBondContact OD1-OG 3.31Å; S103-A105 PolarHBondContact O-N 3.35Å; S103-T106 PolarHBondContact O-N 3.45Å; S103-T106 PolarHBondContact O-OG1 3.1Å; S103-E107 PolarHBondContact O-N 3.19Å
104M65.1Low64.8Low95 Ų9585.7 Ų85.747%0.46847%0.473SS..Hα-helixtrans-63.9-42.3179.1-66.2-162.5117.600112.2D101 T106 E107 M108D101-M104 PolarHBondContact O-N 2.86Å; M104-T106 VanDerWaalsContact C-N 3.3Å; M104-T106 PolarHBondContact O-N 2.98Å; M104-E107 PolarHBondContact O-N 3.17Å; M104-M108 WeakPolarHBondContact O-CG 3.47Å; M104-M108 PolarHBondContact O-N 3.24Å
105A68.1Low65.8Low32 Ų3284.3 Ų84.326%0.26446%0.463SS..Hα-helixtrans-59.5-42.6175.700000111.2D101 S103 M108 L109D101-A105 PolarHBondContact O-N 3.41Å; S103-A105 PolarHBondContact O-N 3.35Å; A105-M108 PolarHBondContact O-N 3.18Å; A105-L109 VanDerWaalsContact O-CB 3.26Å; A105-L109 WeakPolarHBondContact O-CB 3.12Å; A105-L109 WeakPolarHBondContact O-CG 3.27Å; A105-L109 PolarHBondContact O-N 3.21Å
106T72.5Confident67.2Low85 Ų8581.9 Ų81.952%0.52145%0.451SS..Hα-helixtrans-66.2-37.2176.860.90000112.8P102 S103 M104 R110P102-T106 WeakPolarHBondContact O-CB 3.49Å; P102-T106 WeakPolarHBondContact O-CG2 3.21Å; P102-T106 PolarHBondContact O-N 3.45Å; P102-T106 PolarHBondContact O-OG1 3.47Å; S103-T106 PolarHBondContact O-N 3.45Å; S103-T106 PolarHBondContact O-OG1 3.1Å; M104-T106 VanDerWaalsContact C-N 3.3Å; M104-T106 PolarHBondContact O-N 2.98Å; T106-R110 WeakPolarHBondContact O-CB 3.44Å; T106-R110 PolarHBondContact O-N 3.01Å
107E70.6Confident68.8Low120 Ų12079.6 Ų79.656%0.56144%0.441SS*.Hα-helixtrans-67.8-43.4176.4-73-178.8-174.900112.3S103 M104 R110 S111S103-E107 PolarHBondContact O-N 3.19Å; M104-E107 PolarHBondContact O-N 3.17Å; E107-R110 PolarHBondContact O-N 2.8Å; E107-S111 WeakPolarHBondContact O-CB 3.34Å; E107-S111 PolarHBondContact O-N 3.31Å
108M69.2Low70.2Confident104 Ų10475.5 Ų75.551%0.51242%0.42SS..Hα-helixtrans-63.5-45.5175-70-176.774.400111.3M104 A105 R110 S111 N112M104-M108 WeakPolarHBondContact O-CG 3.47Å; M104-M108 PolarHBondContact O-N 3.24Å; A105-M108 PolarHBondContact O-N 3.18Å; M108-R110 VanDerWaalsContact C-N 3.31Å; M108-R110 PolarHBondContact O-N 3.35Å; M108-S111 PolarHBondContact O-N 3.46Å; M108-N112 WeakPolarHBondContact O-CB 3.21Å; M108-N112 PolarHBondContact O-N 3.3Å; M108-N112 PolarHBondContact O-ND2 3.23Å
109L74.9Confident71.7Confident117 Ų11775.9 Ų75.961%0.61342%0.42SS*.Hα-helixtrans-62.2-40175.2-73.2172.9000111.4A105 N112 A113A105-L109 VanDerWaalsContact O-CB 3.26Å; A105-L109 WeakPolarHBondContact O-CB 3.12Å; A105-L109 WeakPolarHBondContact O-CG 3.27Å; A105-L109 PolarHBondContact O-N 3.21Å; L109-N112 PolarHBondContact O-N 3.27Å; L109-A113 WeakPolarHBondContact O-CB 3.3Å; L109-A113 PolarHBondContact O-N 2.8Å
110R76.2Confident73.2Confident144 Ų14473 Ų7354%0.54341%0.406SS..Hα-helixtrans-64.3-45.9176.6-171.1-179.3-155.2167.35.3111.3T106 E107 M108 A113 L114T106-R110 WeakPolarHBondContact O-CB 3.44Å; T106-R110 PolarHBondContact O-N 3.01Å; E107-R110 PolarHBondContact O-N 2.8Å; M108-R110 VanDerWaalsContact C-N 3.31Å; M108-R110 PolarHBondContact O-N 3.35Å; R110-A113 PolarHBondContact O-N 2.86Å; R110-L114 HydrophobicContact CG-CD1 4.16Å; R110-L114 HydrophobicContact CG-CG 4.5Å; R110-L114 WeakPolarHBondContact O-CB 3.49Å; R110-L114 WeakPolarHBondContact O-CG 3.14Å; R110-L114 PolarHBondContact O-N 3.46Å
111S73.6Confident74.6Confident62 Ų6274 Ų7443%0.43441%0.407SS..Hα-helixtrans-60.6-46.3176.4-177.30000111.7E107 M108 L114 N115E107-S111 WeakPolarHBondContact O-CB 3.34Å; E107-S111 PolarHBondContact O-N 3.31Å; M108-S111 PolarHBondContact O-N 3.46Å; S111-L114 PolarHBondContact O-N 2.91Å; S111-N115 PolarHBondContact O-N 3.34Å; S111-N115 PolarHBondContact O-ND2 2.93Å
112N75.5Confident76Confident78 Ų7871.2 Ų71.242%0.41739%0.391SS..Hα-helixtrans-64.6-42.1176.1-72.5-19.9000111.6M108 L109 N115 M116M108-N112 WeakPolarHBondContact O-CB 3.21Å; M108-N112 PolarHBondContact O-N 3.3Å; M108-N112 PolarHBondContact O-ND2 3.23Å; L109-N112 PolarHBondContact O-N 3.27Å; N112-N115 PolarHBondContact O-N 2.69Å; N112-N115 VanDerWaalsContact O-N 3.17Å; N112-M116 WeakPolarHBondContact O-CB 3.33Å; N112-M116 WeakPolarHBondContact O-CG 3.41Å; N112-M116 PolarHBondContact O-N 3.29Å
113A80.2Confident77.1Confident40 Ų4067.9 Ų67.933%0.33137%0.373SS..Hα-helixtrans-63.8-43.6177.300000111.7L109 R110 N115 M116 V117L109-A113 WeakPolarHBondContact O-CB 3.3Å; L109-A113 PolarHBondContact O-N 2.8Å; R110-A113 PolarHBondContact O-N 2.86Å; A113-N115 PolarHBondContact O-N 3.15Å; A113-M116 PolarHBondContact O-N 2.77Å; A113-V117 HydrophobicContact CB-CG2 4.01Å; A113-V117 WeakPolarHBondContact O-CB 3.41Å; A113-V117 VanDerWaalsContact O-CG2 3.25Å; A113-V117 WeakPolarHBondContact O-CG2 3.11Å; A113-V117 PolarHBondContact O-N 3.31Å
114L78.1Confident78Confident36 Ų3668.7 Ų68.719%0.18838%0.379CS..Hα-helixtrans-60.2-26.9175.8-73168.2000112.3F36 R110 S111 P118F36-L114 HydrophobicContact CB-CD1 3.56Å; F36-L114 HydrophobicContact CB-CD2 3.78Å; F36-L114 HydrophobicContact CB-CG 4.33Å; F36-L114 HydrophobicContact CD2-CD2 3.74Å; F36-L114 HydrophobicContact CG-CD1 4.49Å; F36-L114 HydrophobicContact CG-CD2 3.9Å; R110-L114 HydrophobicContact CG-CD1 4.16Å; R110-L114 HydrophobicContact CG-CG 4.5Å; R110-L114 WeakPolarHBondContact O-CB 3.49Å; R110-L114 WeakPolarHBondContact O-CG 3.14Å; R110-L114 PolarHBondContact O-N 3.46Å; S111-L114 PolarHBondContact O-N 2.91Å; L114-P118 VanDerWaalsContact O-CD 3.26Å; L114-P118 WeakPolarHBondContact O-CD 3.26Å; L114-P118 VanDerWaalsContact O-CG 3.3Å; L114-P118 WeakPolarHBondContact O-CG 3.15Å
115N75.5Confident79.1Confident26 Ų2671.5 Ų71.514%0.13938%0.384CS..Hα-helixtrans-88.1-39.7176-75.2-45.2000113.7R29 S111 N112 A113R29-N115 PolarHBondContact NH1-O 3.4Å; R29-N115 PolarHBondContact NH2-O 3.19Å; R29-N115 PolarHBondContact NH2-OD1 2.89Å; R29-N115 VanDerWaalsContact NH2-OD1 3.1Å; S111-N115 PolarHBondContact O-N 3.34Å; S111-N115 PolarHBondContact O-ND2 2.93Å; N112-N115 PolarHBondContact O-N 2.69Å; N112-N115 VanDerWaalsContact O-N 3.17Å; A113-N115 PolarHBondContact O-N 3.15Å
116M79.7Confident80Confident80 Ų8070 Ų7039%0.39437%0.372SS..Hα-helixtrans-87.3-44-173.9-68.1-177.675.200113.2N112 A113 M119 I120N112-M116 WeakPolarHBondContact O-CB 3.33Å; N112-M116 WeakPolarHBondContact O-CG 3.41Å; N112-M116 PolarHBondContact O-N 3.29Å; A113-M116 PolarHBondContact O-N 2.77Å; M116-M119 PolarHBondContact O-N 2.97Å; M116-M119 VanDerWaalsContact O-N 3.15Å; M116-I120 WeakPolarHBondContact O-CG1 3.48Å; M116-I120 PolarHBondContact O-N 3.31Å
117V84.7Confident80.5Confident78 Ų7869.7 Ų69.747%0.47337%0.367SS..Hα-helixtrans-58.8-48.6-174.3173.40000111.3A113 M119 I120 V121A113-V117 HydrophobicContact CB-CG2 4.01Å; A113-V117 WeakPolarHBondContact O-CB 3.41Å; A113-V117 VanDerWaalsContact O-CG2 3.25Å; A113-V117 WeakPolarHBondContact O-CG2 3.11Å; A113-V117 PolarHBondContact O-N 3.31Å; V117-M119 VanDerWaalsContact C-N 3.29Å; V117-M119 PolarHBondContact O-N 3.46Å; V117-I120 PolarHBondContact O-N 2.63Å; V117-V121 HydrophobicContact CG1-CG2 4.1Å; V117-V121 WeakPolarHBondContact O-CB 3.37Å; V117-V121 VanDerWaalsContact O-CG2 3.27Å; V117-V121 WeakPolarHBondContact O-CG2 3.49Å; V117-V121 PolarHBondContact O-N 3.28Å
118P80.8Confident81.3Confident17 Ų1773.5 Ų73.511%0.1138%0.377CS..Hα-helixtrans-59-41.8178.1-25.836.5000112.2F25 R29 L114 I120 V121 I122F25-P118 HydrophobicContact CE1-CB 3.84Å; F25-P118 HydrophobicContact CZ-CB 3.92Å; R29-P118 HydrophobicContact CG-CB 4.32Å; R29-P118 HydrophobicContact CG-CG 4.46Å; L114-P118 VanDerWaalsContact O-CD 3.26Å; L114-P118 WeakPolarHBondContact O-CD 3.26Å; L114-P118 VanDerWaalsContact O-CG 3.3Å; L114-P118 WeakPolarHBondContact O-CG 3.15Å; P118-I120 PolarHBondContact O-N 3.34Å; P118-V121 PolarHBondContact O-N 3.23Å; P118-I122 WeakPolarHBondContact O-CG2 3.42Å; P118-I122 PolarHBondContact O-N 3.11Å
119M82Confident82Confident42 Ų4270.4 Ų70.421%0.20737%0.368CS..Hα-helixtrans-64.3-40.7-178.5-173.3170.5-177.600112.4M116 V117 G123 L198M116-M119 PolarHBondContact O-N 2.97Å; M116-M119 VanDerWaalsContact O-N 3.15Å; V117-M119 VanDerWaalsContact C-N 3.29Å; V117-M119 PolarHBondContact O-N 3.46Å; M119-G123 PolarHBondContact O-N 3.02Å; M119-L198 HydrophobicContact CE-CD1 3.37Å; M119-L198 HydrophobicContact SD-CD1 3.4Å; M119-L198 WeakPolarHBondContact SD-CD1 3.36Å
120I85.1Confident82.2Confident100 Ų10066.3 Ų66.351%0.51335%0.345SS..Hα-helixtrans-65.7-49.8174.9-66.9168.1000109.8M116 V117 P118 I122 G123 S124M116-I120 WeakPolarHBondContact O-CG1 3.48Å; M116-I120 PolarHBondContact O-N 3.31Å; V117-I120 PolarHBondContact O-N 2.63Å; P118-I120 PolarHBondContact O-N 3.34Å; I120-I122 PolarHBondContact O-N 2.74Å; I120-G123 PolarHBondContact O-N 2.59Å; I120-S124 VanDerWaalsContact O-CB 3.28Å; I120-S124 WeakPolarHBondContact O-CB 3.04Å; I120-S124 PolarHBondContact O-N 3.22Å; I120-S124 PolarHBondContact O-OG 3.44Å; I120-S124 VanDerWaalsContact O-OG 3.1Å
121V87.7Confident82.4Confident81 Ų8161.9 Ų61.949%0.49134%0.336SS..Hα-helixtrans-58.5-51.5-177.3170.40000111.4V117 P118 W125V117-V121 HydrophobicContact CG1-CG2 4.1Å; V117-V121 WeakPolarHBondContact O-CB 3.37Å; V117-V121 VanDerWaalsContact O-CG2 3.27Å; V117-V121 WeakPolarHBondContact O-CG2 3.49Å; V117-V121 PolarHBondContact O-N 3.28Å; P118-V121 PolarHBondContact O-N 3.23Å; V121-W125 VanDerWaalsContact O-CB 3.31Å; V121-W125 WeakPolarHBondContact O-CB 3.43Å; V121-W125 PolarHBondContact O-N 3.09Å
122I86Confident82.5Confident13 Ų1361.4 Ų61.47%0.06734%0.341CS..Hα-helixtrans-70.9-35.3-179.1-170.860.6000111.9I21 F25 P118 I120 W125 I126 Y171I21-I122 HydrophobicContact CG2-CD1 4.25Å; F25-I122 HydrophobicContact CD1-CB 3.9Å; F25-I122 HydrophobicContact CD1-CG1 4.03Å; F25-I122 HydrophobicContact CD1-CG2 3.78Å; F25-I122 HydrophobicContact CD2-CB 4.34Å; F25-I122 HydrophobicContact CD2-CD1 4.11Å; F25-I122 HydrophobicContact CD2-CG1 4.3Å; F25-I122 HydrophobicContact CE1-CB 3.66Å; F25-I122 HydrophobicContact CE1-CG1 4.31Å; F25-I122 HydrophobicContact CE1-CG2 3.47Å; F25-I122 VanDerWaalsContact CE1-CG2 3.47Å; F25-I122 HydrophobicContact CE2-CB 4.11Å; F25-I122 HydrophobicContact CE2-CD1 4.49Å; F25-I122 HydrophobicContact CG-CB 4.24Å; F25-I122 HydrophobicContact CG-CD1 4.22Å; F25-I122 HydrophobicContact CG-CG1 4.02Å; F25-I122 HydrophobicContact CZ-CB 3.77Å; F25-I122 HydrophobicContact CZ-CG2 4.02Å; P118-I122 WeakPolarHBondContact O-CG2 3.42Å; P118-I122 PolarHBondContact O-N 3.11Å; I120-I122 PolarHBondContact O-N 2.74Å; I122-W125 PolarHBondContact O-N 2.98Å; I122-I126 HydrophobicContact CD1-CD1 3.97Å; I122-I126 HydrophobicContact CD1-CG1 4.12Å; I122-I126 HydrophobicContact CG1-CD1 3.77Å; I122-I126 HydrophobicContact CG1-CG1 4.33Å; I122-I126 WeakPolarHBondContact O-CB 3.38Å; I122-I126 VanDerWaalsContact O-CG1 3.28Å; I122-I126 WeakPolarHBondContact O-CG1 3.13Å; I122-I126 PolarHBondContact O-N 3.2Å; I122-Y171 HydrophobicContact CG1-CE2 4.24Å; I122-Y171 HydrophobicContact CG2-CE2 4.44Å; I122-Y171 WeakPolarHBondContact CG2-OH 3.45Å
123G85Confident82.7Confident20 Ų2062.3 Ų62.321%0.20634%0.341CS..Hα-helixtrans-64.4-45176.100000112.3M119 I120 N127M119-G123 PolarHBondContact O-N 3.02Å; I120-G123 PolarHBondContact O-N 2.59Å; G123-N127 WeakPolarHBondContact O-CB 2.9Å; G123-N127 PolarHBondContact O-N 3.41Å
124S87.8Confident82.8Confident73 Ų7360.9 Ų60.951%0.5133%0.328SS..Hα-helixtrans-64.8-43.1174.5-68.30000111.7I120 N127 W128I120-S124 VanDerWaalsContact O-CB 3.28Å; I120-S124 WeakPolarHBondContact O-CB 3.04Å; I120-S124 PolarHBondContact O-N 3.22Å; I120-S124 PolarHBondContact O-OG 3.44Å; I120-S124 VanDerWaalsContact O-OG 3.1Å; S124-N127 PolarHBondContact O-N 3.01Å; S124-W128 WeakPolarHBondContact O-CB 3.29Å; S124-W128 PolarHBondContact O-N 3.08Å
125W88.6Confident82.9Confident153 Ų15359.6 Ų59.658%0.5832%0.322SS*.Hα-helixtrans-60.2-48.1176.5-178.2-72.2000111.7V121 I122 N127 W128 A129V121-W125 VanDerWaalsContact O-CB 3.31Å; V121-W125 WeakPolarHBondContact O-CB 3.43Å; V121-W125 PolarHBondContact O-N 3.09Å; I122-W125 PolarHBondContact O-N 2.98Å; W125-N127 VanDerWaalsContact C-N 3.33Å; W125-N127 PolarHBondContact O-N 3.48Å; W125-W128 PolarHBondContact O-N 2.93Å; W125-A129 WeakPolarHBondContact O-CB 3.04Å; W125-A129 PolarHBondContact O-N 2.76Å
126I85.7Confident83.2Confident2 Ų260.8 Ų60.81%0.0133%0.33CS..Hα-helixtrans-66.7-39.2-179-72.6172.2000111.1L18 T22 I122 W128 F130 Y171L18-I126 HydrophobicContact CD1-CG2 4.09Å; T22-I126 HydrophobicContact CG2-CD1 4.28Å; I122-I126 HydrophobicContact CD1-CD1 3.97Å; I122-I126 HydrophobicContact CD1-CG1 4.12Å; I122-I126 HydrophobicContact CG1-CD1 3.77Å; I122-I126 HydrophobicContact CG1-CG1 4.33Å; I122-I126 WeakPolarHBondContact O-CB 3.38Å; I122-I126 VanDerWaalsContact O-CG1 3.28Å; I122-I126 WeakPolarHBondContact O-CG1 3.13Å; I122-I126 PolarHBondContact O-N 3.2Å; I126-W128 VanDerWaalsContact C-N 3.32Å; I126-W128 PolarHBondContact O-N 3.07Å; I126-F130 HydrophobicContact CG2-CD2 4.21Å; I126-F130 WeakPolarHBondContact O-CB 3.26Å; I126-F130 PolarHBondContact O-N 3.13Å; I126-Y171 HydrophobicContact CB-CG 4.48Å; I126-Y171 HydrophobicContact CD1-CD1 4.17Å; I126-Y171 HydrophobicContact CD1-CD2 3.05Å; I126-Y171 HydrophobicContact CD1-CE1 4.37Å; I126-Y171 HydrophobicContact CD1-CE2 3.34Å; I126-Y171 HydrophobicContact CD1-CG 3.5Å; I126-Y171 HydrophobicContact CG1-CD2 4.44Å; I126-Y171 HydrophobicContact CG2-CD1 4.4Å; I126-Y171 HydrophobicContact CG2-CG 4.04Å
127N84.6Confident83.4Confident78 Ų7861.7 Ų61.742%0.41733%0.332SS..Hα-helixtrans-61.3-43.1174-169.6-95.6000110.9G123 S124 W125 S131G123-N127 WeakPolarHBondContact O-CB 2.9Å; G123-N127 PolarHBondContact O-N 3.41Å; S124-N127 PolarHBondContact O-N 3.01Å; W125-N127 VanDerWaalsContact C-N 3.33Å; W125-N127 PolarHBondContact O-N 3.48Å; N127-S131 WeakPolarHBondContact O-CB 3.25Å; N127-S131 PolarHBondContact O-N 3.45Å; N127-S131 VanDerWaalsContact O-N 3.13Å
128W85.6Confident83.3Confident200 Ų20059.2 Ų59.276%0.75832%0.317SS*.Hα-helixtrans-67.5-47176.6173.973.7000113.3S124 W125 I126S124-W128 WeakPolarHBondContact O-CB 3.29Å; S124-W128 PolarHBondContact O-N 3.08Å; W125-W128 PolarHBondContact O-N 2.93Å; I126-W128 VanDerWaalsContact C-N 3.32Å; I126-W128 PolarHBondContact O-N 3.07Å
129A84.8Confident83.4Confident39 Ų3964.7 Ų64.732%0.32235%0.352SS..Hα-helixtrans-77.4-31-172.700000114.1W125W125-A129 WeakPolarHBondContact O-CB 3.04Å; W125-A129 PolarHBondContact O-N 2.76Å
130F79.8Confident83.6Confident31 Ų3168.6 Ų68.614%0.13637%0.368CS..Hα-helixtrans-125.310.6-171.4-58.1-77.3000114V14 L18 I21 I126 S167V14-F130 HydrophobicContact CB-CD1 4.44Å; V14-F130 HydrophobicContact CG1-CD1 3.64Å; V14-F130 HydrophobicContact CG1-CE1 4.17Å; V14-F130 HydrophobicContact CG1-CG 4.42Å; V14-F130 HydrophobicContact CG2-CD1 4.36Å; L18-F130 HydrophobicContact CD1-CB 4.44Å; L18-F130 HydrophobicContact CD1-CD2 4.07Å; L18-F130 HydrophobicContact CD1-CG 4.2Å; I21-F130 HydrophobicContact CD1-CZ 4.49Å; I126-F130 HydrophobicContact CG2-CD2 4.21Å; I126-F130 WeakPolarHBondContact O-CB 3.26Å; I126-F130 PolarHBondContact O-N 3.13Å; F130-S167 WeakPolarHBondContact O-CB 3.41Å
131S80Confident83.4Confident51 Ų5170 Ų7036%0.35738%0.384SS..THydrogen-bonded Turntrans-63.1151.3172.4176.90000111.8N127 F133N127-S131 WeakPolarHBondContact O-CB 3.25Å; N127-S131 PolarHBondContact O-N 3.45Å; N127-S131 VanDerWaalsContact O-N 3.13Å; S131-F133 VanDerWaalsContact C-N 3.29Å; S131-F133 PolarHBondContact O-N 3.33Å
132G76Confident83.1Confident52 Ų5267.5 Ų67.554%0.53637%0.368SS..THydrogen-bonded Turntrans85.1-14.5179.400000115.5
133F79.4Confident83Confident96 Ų9671.2 Ų71.242%0.42139%0.391SS..  trans-93.1134.9179-62.1-77.5000112.5S131 S167S131-F133 VanDerWaalsContact C-N 3.29Å; S131-F133 PolarHBondContact O-N 3.33Å; F133-S167 VanDerWaalsContact CB-OG 3.3Å; F133-S167 WeakPolarHBondContact CB-OG 3.4Å; F133-S167 PolarHBondContact O-N 3.33Å; F133-S167 PolarHBondContact O-OG 3.45Å
134L81Confident82.9Confident10 Ų1077.8 Ų77.85%0.05241%0.411CS..EExtended strand (participates in β ladder)trans-90.6133.6164.4-68.9168.9000109.1L4 L6 L157 L160 W164L4-L134 HydrophobicContact CD2-CD1 3.54Å; L6-L134 HydrophobicContact CD1-CB 4.12Å; L6-L134 WeakPolarHBondContact CD1-O 3.19Å; L6-L134 HydrophobicContact CD2-CB 3.98Å; L134-L157 HydrophobicContact CD1-CD1 3.96Å; L134-L160 HydrophobicContact CD1-CD1 4.35Å; L134-L160 HydrophobicContact CD1-CD2 3.51Å; L134-L160 HydrophobicContact CD2-CD2 3.81Å; L134-L160 HydrophobicContact CG-CD2 4.3Å; L134-W164 HydrophobicContact CD2-CB 4.09Å
135T80.9Confident82.7Confident10 Ų1084.9 Ų84.96%0.06143%0.427CS..EExtended strand (participates in β ladder)trans-97.9-52.7-174.953.70000112.3V14 V165 S167 W170V14-T135 HydrophobicContact CG1-CG2 4.25Å; T135-V165 PolarHBondContact N-O 2.93Å; T135-V165 PolarHBondContact OG1-O 2.88Å; T135-S167 VanDerWaalsContact CG2-OG 3.25Å; T135-S167 WeakPolarHBondContact CG2-OG 3.43Å; T135-W170 HydrophobicContact CG2-CB 4.2Å; T135-W170 HydrophobicContact CG2-CG 4.37Å
136T81.9Confident82.4Confident51 Ų5182 Ų8231%0.31342%0.418SS..EExtended strand (participates in β ladder)trans-153.3158.5-174-168.20000111.8F15 V165F15-T136 HydrophobicContact CE2-CG2 4.37Å; T136-V165 HydrophobicContact CG2-CB 4.27Å; T136-V165 HydrophobicContact CG2-CG2 4.29Å; T136-V165 PolarHBondContact O-N 2.94Å
137K83.4Confident82.2Confident99 Ų9982.8 Ų82.843%0.4342%0.422SS..EExtended strand (participates in β ladder)trans-98.2134.8167.3-170.5-178.5177.6-175.90109.3S163 W164K137-S163 CarbonylContact C-O 3.58Å; K137-S163 WeakPolarHBondContact CA-O 3.34Å; K137-S163 WeakPolarHBondContact CE-OG 3.12Å; K137-S163 WeakPolarHBondContact CG-OG 3.34Å; K137-W164 HydrophobicContact CB-CD2 4.23Å; K137-W164 HydrophobicContact CB-CE3 3.97Å; K137-W164 HydrophobicContact CB-CH2 4.1Å; K137-W164 HydrophobicContact CB-CZ2 4.34Å; K137-W164 HydrophobicContact CB-CZ3 3.87Å; K137-W164 HydrophobicContact CD-CZ2 4.1Å; K137-W164 HydrophobicContact CG-CD2 4.42Å
138V83.5Confident82Confident26 Ų2683.5 Ų83.516%0.15843%0.43CS..  trans-74.7138.3175.1178.40000109.7F140 L142 S163 V165V138-F140 HydrophobicContact CG1-CD1 3.41Å; V138-F140 VanDerWaalsContact CG1-CD1 3.41Å; V138-F140 HydrophobicContact CG1-CD2 3.69Å; V138-F140 HydrophobicContact CG1-CE1 3.14Å; V138-F140 HydrophobicContact CG1-CE2 3.45Å; V138-F140 VanDerWaalsContact CG1-CE2 3.45Å; V138-F140 HydrophobicContact CG1-CG 3.68Å; V138-F140 HydrophobicContact CG1-CZ 3.17Å; V138-F140 PolarHBondContact O-N 3.16Å; V138-L142 HydrophobicContact CB-CD1 3.71Å; V138-L142 HydrophobicContact CG1-CD1 3.79Å; V138-L142 HydrophobicContact CG2-CD1 3.82Å; V138-S163 PolarHBondContact N-O 2.92Å; V138-V165 HydrophobicContact CG2-CG2 3.64Å
139P83.1Confident81.8Confident132 Ų13278.8 Ų78.886%0.85742%0.418SS*.SBendtrans-804.8-172.733.1-37.3000114.6
140F86.3Confident81.6Confident123 Ų12377.5 Ų77.554%0.53941%0.406SS..SBendtrans-124.8149.7178.952.3-97.5000110.7V138 L142V138-F140 HydrophobicContact CG1-CD1 3.41Å; V138-F140 VanDerWaalsContact CG1-CD1 3.41Å; V138-F140 HydrophobicContact CG1-CD2 3.69Å; V138-F140 HydrophobicContact CG1-CE1 3.14Å; V138-F140 HydrophobicContact CG1-CE2 3.45Å; V138-F140 VanDerWaalsContact CG1-CE2 3.45Å; V138-F140 HydrophobicContact CG1-CG 3.68Å; V138-F140 HydrophobicContact CG1-CZ 3.17Å; V138-F140 PolarHBondContact O-N 3.16Å; F140-L142 HydrophobicContact CD2-CD2 4.49Å; F140-L142 HydrophobicContact CD2-CG 4.05Å; F140-L142 HydrophobicContact CE2-CD1 4.16Å; F140-L142 HydrophobicContact CE2-CD2 3.9Å; F140-L142 HydrophobicContact CE2-CG 3.84Å; F140-L142 PolarHBondContact O-N 2.68Å
141P80.3Confident81.7Confident130 Ų13076.3 Ų76.384%0.84440%0.401SS*.  trans-64130.2178.226.8-33.9000110.2
142L81.9Confident81.6Confident28 Ų2879.8 Ų79.815%0.14741%0.406CS..  trans-111134.6179.7-87.9153.8000110V138 F140 F146 L150 A162V138-L142 HydrophobicContact CB-CD1 3.71Å; V138-L142 HydrophobicContact CG1-CD1 3.79Å; V138-L142 HydrophobicContact CG2-CD1 3.82Å; F140-L142 HydrophobicContact CD2-CD2 4.49Å; F140-L142 HydrophobicContact CD2-CG 4.05Å; F140-L142 HydrophobicContact CE2-CD1 4.16Å; F140-L142 HydrophobicContact CE2-CD2 3.9Å; F140-L142 HydrophobicContact CE2-CG 3.84Å; F140-L142 PolarHBondContact O-N 2.68Å; L142-F146 HydrophobicContact CD2-CB 3.86Å; L142-F146 HydrophobicContact CD2-CD1 4.27Å; L142-F146 HydrophobicContact CD2-CD2 3.49Å; L142-F146 VanDerWaalsContact CD2-CD2 3.49Å; L142-F146 HydrophobicContact CD2-CE2 4.06Å; L142-F146 HydrophobicContact CD2-CG 3.61Å; L142-L150 HydrophobicContact CD1-CD1 3.64Å; L142-L150 HydrophobicContact CD2-CD1 4.32Å; L142-A162 HydrophobicContact CB-CB 4.29Å
143T84.2Confident81.5Confident92 Ų9279 Ų7956%0.56440%0.398SS*.  trans-66.8148.7173.2-47.50000110.4R145 F146T143-R145 HydrophobicContact CG2-CG 4.35Å; T143-R145 PolarHBondContact O-N 2.87Å; T143-F146 PolarHBondContact O-N 2.66Å
144Y82Confident81.1Confident158 Ų15874.7 Ų74.762%0.6238%0.379SS*.G310 helixtrans-53.3-22.2178.2-166-98.8000114.6F146 K147Y144-F146 PolarHBondContact O-N 3.3Å; Y144-K147 HydrophobicContact CD2-CD 3.9Å; Y144-K147 HydrophobicContact CE2-CD 3.36Å; Y144-K147 WeakPolarHBondContact O-CB 3.29Å; Y144-K147 PolarHBondContact O-N 2.85Å; Y144-K147 VanDerWaalsContact O-N 3.11Å
145R84.5Confident80.4Confident221 Ų22181.5 Ų81.583%0.83441%0.411SS*.G310 helixtrans-61.5-25.2175.2-66.2-172.7177.5-176.3-0.3114T143T143-R145 HydrophobicContact CG2-CG 4.35Å; T143-R145 PolarHBondContact O-N 2.87Å
146F81.8Confident79.7Confident92 Ų9286.2 Ų86.240%0.40444%0.444SS..G310 helixtrans-82.9-13.6177.6-69.5-77.7000113.3L142 T143 Y144 M149 L150L142-F146 HydrophobicContact CD2-CB 3.86Å; L142-F146 HydrophobicContact CD2-CD1 4.27Å; L142-F146 HydrophobicContact CD2-CD2 3.49Å; L142-F146 VanDerWaalsContact CD2-CD2 3.49Å; L142-F146 HydrophobicContact CD2-CE2 4.06Å; L142-F146 HydrophobicContact CD2-CG 3.61Å; T143-F146 PolarHBondContact O-N 2.66Å; Y144-F146 PolarHBondContact O-N 3.3Å; F146-M149 HydrophobicContact CD1-SD 4.41Å; F146-M149 WeakPolarHBondContact O-CB 3.29Å; F146-M149 PolarHBondContact O-N 3.03Å; F146-L150 HydrophobicContact CB-CD1 4.09Å; F146-L150 HydrophobicContact CB-CG 4.49Å; F146-L150 PolarHBondContact O-N 3.04Å
147K81.3Confident79.1Confident19 Ų1987.1 Ų87.18%0.08345%0.447CS..Hα-helixtrans-55.2-51.8-177.5-166.4171.5-179.31630113.7Y144 M149 L150 Q151 T158 L160 A162Y144-K147 HydrophobicContact CD2-CD 3.9Å; Y144-K147 HydrophobicContact CE2-CD 3.36Å; Y144-K147 WeakPolarHBondContact O-CB 3.29Å; Y144-K147 PolarHBondContact O-N 2.85Å; Y144-K147 VanDerWaalsContact O-N 3.11Å; K147-M149 PolarHBondContact O-N 3.39Å; K147-L150 PolarHBondContact O-N 2.82Å; K147-Q151 HydrophobicContact CG-CG 4.4Å; K147-Q151 VanDerWaalsContact CG-OE1 3.32Å; K147-Q151 WeakPolarHBondContact O-CB 3.48Å; K147-Q151 PolarHBondContact O-N 2.83Å; K147-T158 PolarHBondContact NZ-O 3.1Å; K147-L160 WeakPolarHBondContact CE-O 3.49Å; K147-L160 PolarHBondContact NZ-O 3.28Å; K147-A162 HydrophobicContact CB-CB 4.19Å
148P81.3Confident78.2Confident93 Ų9387 Ų8760%0.60446%0.455SS*.Hα-helixtrans-63.8-26177.125.2-35.4000113.4R152P148-R152 WeakPolarHBondContact O-CG 3.33Å
149M80.1Confident77.6Confident102 Ų10291.8 Ų91.850%0.50249%0.489SS..Hα-helixtrans-77.1-40177.8-176.9179.9174.700112.1F146 K147 S169F146-M149 HydrophobicContact CD1-SD 4.41Å; F146-M149 WeakPolarHBondContact O-CB 3.29Å; F146-M149 PolarHBondContact O-N 3.03Å; K147-M149 PolarHBondContact O-N 3.39Å; M149-S169 WeakPolarHBondContact O-CB 3.26Å; M149-S169 PolarHBondContact O-OG 3.39Å
150L82.1Confident77.1Confident12 Ų1286.6 Ų86.66%0.06345%0.454CS..Hα-helixtrans-92.2-19.4-174.3-66.2177.2000114.1L142 F146 K147 V165 S166 S169 L173L142-L150 HydrophobicContact CD1-CD1 3.64Å; L142-L150 HydrophobicContact CD2-CD1 4.32Å; F146-L150 HydrophobicContact CB-CD1 4.09Å; F146-L150 HydrophobicContact CB-CG 4.49Å; F146-L150 PolarHBondContact O-N 3.04Å; K147-L150 PolarHBondContact O-N 2.82Å; L150-V165 HydrophobicContact CD2-CG2 4.35Å; L150-S166 WeakPolarHBondContact O-CB 3.31Å; L150-S166 PolarHBondContact O-N 3.14Å; L150-S166 PolarHBondContact O-OG 3.42Å; L150-S169 VanDerWaalsContact C-CB 3.49Å; L150-S169 VanDerWaalsContact CA-OG 3.3Å; L150-S169 WeakPolarHBondContact CA-OG 3.45Å; L150-S169 WeakPolarHBondContact O-CB 3.48Å; L150-S169 PolarHBondContact O-OG 3.02Å; L150-L173 HydrophobicContact CD2-CD1 4.12Å
151Q81.6Confident76.7Confident6 Ų683.8 Ų83.83%0.02845%0.445CS..  trans-11429.7-175.8-61.1-178.3-1.800113.2K147 G153 C154 D161 W164K147-Q151 HydrophobicContact CG-CG 4.4Å; K147-Q151 VanDerWaalsContact CG-OE1 3.32Å; K147-Q151 WeakPolarHBondContact O-CB 3.48Å; K147-Q151 PolarHBondContact O-N 2.83Å; Q151-G153 PolarHBondContact O-N 2.6Å; Q151-C154 PolarHBondContact O-N 2.92Å; Q151-D161 PolarHBondContact NE2-O 2.84Å; Q151-W164 WeakPolarHBondContact CG-O 3.38Å; Q151-W164 PolarHBondContact NE2-O 3.19Å
152R76.8Confident76.7Confident124 Ų12477.8 Ų77.847%0.46841%0.406SS..THydrogen-bonded Turntrans-57.9128.8176.6-65.7-174.476.41744.9110.3P148 C154 S166 A168 S169 F172P148-R152 WeakPolarHBondContact O-CG 3.33Å; R152-C154 VanDerWaalsContact C-N 3.25Å; R152-C154 PolarHBondContact O-N 3.17Å; R152-S166 PolarHBondContact N-OG 3.35Å; R152-S166 PolarHBondContact O-OG 2.91Å; R152-S166 VanDerWaalsContact O-OG 3.12Å; R152-A168 HydrophobicContact CB-CB 4.4Å; R152-S169 PolarHBondContact N-OG 3.25Å; R152-F172 VanDerWaalsContact NH1-CZ 3.26Å
153G74Confident76.7Confident36 Ų3676.6 Ų76.637%0.37140%0.4SS..THydrogen-bonded Turntrans79.30.6-177.900000115Q151Q151-G153 PolarHBondContact O-N 2.6Å
154C70.3Confident76.7Confident4 Ų473.3 Ų73.33%0.02738%0.377CS..  trans-123.426.2178.7-162.20000112.4Q151 R152 S156 L157Q151-C154 PolarHBondContact O-N 2.92Å; R152-C154 VanDerWaalsContact C-N 3.25Å; R152-C154 PolarHBondContact O-N 3.17Å; C154-S156 PolarHBondContact O-N 2.82Å; C154-S156 VanDerWaalsContact O-N 3.13Å; C154-L157 PolarHBondContact O-N 2.89Å; C154-L157 VanDerWaalsContact O-N 3.08Å; C154-L157 WeakPolarHBondContact SG-CD1 3.4Å
155E67.5Low76.9Confident154 Ų15465.9 Ų65.972%0.7235%0.348SS*.THydrogen-bonded Turntrans-62.9-21.8-173.2-64.6174.3-165.800113.5L157 T158E155-L157 PolarHBondContact O-N 2.59Å; E155-T158 PolarHBondContact O-OG1 3.17Å
156S66.8Low77Confident108 Ų10855.5 Ų55.576%0.75531%0.309SS*.THydrogen-bonded Turntrans-62.1-23.1174.656.90000113.4C154 T158C154-S156 PolarHBondContact O-N 2.82Å; C154-S156 VanDerWaalsContact O-N 3.13Å; S156-T158 VanDerWaalsContact C-N 3.29Å; S156-T158 PolarHBondContact O-N 3.19Å; S156-T158 VanDerWaalsContact O-N 3.15Å
157L67.3Low77.1Confident71 Ų7151.1 Ų51.137%0.37229%0.291SS..  trans-89.358.4177.5-61.7-178.5000111.5L134 C154 E155 S159 L160L134-L157 HydrophobicContact CD1-CD1 3.96Å; C154-L157 PolarHBondContact O-N 2.89Å; C154-L157 VanDerWaalsContact O-N 3.08Å; C154-L157 WeakPolarHBondContact SG-CD1 3.4Å; E155-L157 PolarHBondContact O-N 2.59Å; L157-S159 PolarHBondContact O-N 3.41Å; L157-L160 HydrophobicContact CB-CB 4.18Å; L157-L160 WeakPolarHBondContact O-CB 3.14Å; L157-L160 PolarHBondContact O-N 2.93Å; L157-L160 VanDerWaalsContact O-N 3.09Å
158T64.8Low77.2Confident96 Ų9650.6 Ų50.659%0.58929%0.289SS*.THydrogen-bonded Turntrans-62.7-27.3-174.1-40.30000113.5K147 E155 S156 L160K147-T158 PolarHBondContact NZ-O 3.1Å; E155-T158 PolarHBondContact O-OG1 3.17Å; S156-T158 VanDerWaalsContact C-N 3.29Å; S156-T158 PolarHBondContact O-N 3.19Å; S156-T158 VanDerWaalsContact O-N 3.15Å; T158-L160 VanDerWaalsContact C-N 3.25Å; T158-L160 PolarHBondContact O-N 2.9Å
159S71.5Confident77.4Confident126 Ų12646.2 Ų46.288%0.88126%0.261SS*.THydrogen-bonded Turntrans-79.3-3.3178.857.10000114.3L157L157-S159 PolarHBondContact O-N 3.41Å
160L71.8Confident77.8Confident23 Ų2343.3 Ų43.312%0.1225%0.245CC..SBendtrans-76.9142.2-177.2-15777.4000111.7L4 L134 K147 L157 T158 W164L4-L160 HydrophobicContact CD2-CD1 4.08Å; L134-L160 HydrophobicContact CD1-CD1 4.35Å; L134-L160 HydrophobicContact CD1-CD2 3.51Å; L134-L160 HydrophobicContact CD2-CD2 3.81Å; L134-L160 HydrophobicContact CG-CD2 4.3Å; K147-L160 WeakPolarHBondContact CE-O 3.49Å; K147-L160 PolarHBondContact NZ-O 3.28Å; L157-L160 HydrophobicContact CB-CB 4.18Å; L157-L160 WeakPolarHBondContact O-CB 3.14Å; L157-L160 PolarHBondContact O-N 2.93Å; L157-L160 VanDerWaalsContact O-N 3.09Å; T158-L160 VanDerWaalsContact C-N 3.25Å; T158-L160 PolarHBondContact O-N 2.9Å; L160-W164 HydrophobicContact CD1-CG 4.18Å; L160-W164 HydrophobicContact CD2-CB 3.35Å; L160-W164 HydrophobicContact CD2-CD2 4.38Å; L160-W164 HydrophobicContact CD2-CG 3.52Å; L160-W164 HydrophobicContact CG-CB 4.02Å; L160-W164 HydrophobicContact CG-CG 3.74Å
161D79.5Confident78.1Confident65 Ų6543.3 Ų43.335%0.34824%0.244SC..  trans-63.9148.7174.7-176.926.6000111.3Q151 S163 W164Q151-D161 PolarHBondContact NE2-O 2.84Å; D161-S163 PolarHBondContact O-N 2.72Å; D161-S163 VanDerWaalsContact O-N 3.16Å; D161-S163 WeakPolarHBondContact OD2-CB 3.03Å; D161-S163 PolarHBondContact OD2-OG 2.89Å; D161-W164 PolarHBondContact O-N 2.76Å
162A78.8Confident78.2Confident4 Ų445.5 Ų45.53%0.03325%0.253CS..THydrogen-bonded Turntrans-67.3-13.3-177.900000113.4L142 K147 W164L142-A162 HydrophobicContact CB-CB 4.29Å; K147-A162 HydrophobicContact CB-CB 4.19Å; A162-W164 PolarHBondContact O-N 2.7Å
163S82Confident78.7Confident2 Ų242.6 Ų42.61%0.01425%0.247CC..THydrogen-bonded Turntrans-69.4-14.3176.559.30000114.3K137 V138 D161K137-S163 CarbonylContact C-O 3.58Å; K137-S163 WeakPolarHBondContact CA-O 3.34Å; K137-S163 WeakPolarHBondContact CE-OG 3.12Å; K137-S163 WeakPolarHBondContact CG-OG 3.34Å; V138-S163 PolarHBondContact N-O 2.92Å; D161-S163 PolarHBondContact O-N 2.72Å; D161-S163 VanDerWaalsContact O-N 3.16Å; D161-S163 WeakPolarHBondContact OD2-CB 3.03Å; D161-S163 PolarHBondContact OD2-OG 2.89Å
164W83.9Confident79.4Confident24 Ų2441.5 Ų41.59%0.09123%0.232CC..EExtended strand (participates in β ladder)trans-83.5133.6179.9-71.497.6000112.8L4 L6 L134 K137 Q151 L160 D161 A162L4-W164 HydrophobicContact CB-CH2 4.13Å; L4-W164 HydrophobicContact CB-CZ2 3.63Å; L4-W164 HydrophobicContact CD2-CH2 4.27Å; L4-W164 HydrophobicContact CD2-CZ2 4.22Å; L4-W164 HydrophobicContact CD2-CZ3 4.49Å; L4-W164 HydrophobicContact CG-CZ2 4.48Å; L4-W164 WeakPolarHBondContact O-CH2 3.25Å; L4-W164 WeakPolarHBondContact O-CZ2 3.4Å; L6-W164 HydrophobicContact CD1-CE3 4.09Å; L6-W164 HydrophobicContact CD1-CH2 4.25Å; L6-W164 HydrophobicContact CD1-CZ3 3.38Å; L6-W164 HydrophobicContact CD2-CZ3 4.41Å; L6-W164 HydrophobicContact CG-CH2 4.03Å; L6-W164 HydrophobicContact CG-CZ3 3.62Å; L134-W164 HydrophobicContact CD2-CB 4.09Å; K137-W164 HydrophobicContact CB-CD2 4.23Å; K137-W164 HydrophobicContact CB-CE3 3.97Å; K137-W164 HydrophobicContact CB-CH2 4.1Å; K137-W164 HydrophobicContact CB-CZ2 4.34Å; K137-W164 HydrophobicContact CB-CZ3 3.87Å; K137-W164 HydrophobicContact CD-CZ2 4.1Å; K137-W164 HydrophobicContact CG-CD2 4.42Å; Q151-W164 WeakPolarHBondContact CG-O 3.38Å; Q151-W164 PolarHBondContact NE2-O 3.19Å; L160-W164 HydrophobicContact CD1-CG 4.18Å; L160-W164 HydrophobicContact CD2-CB 3.35Å; L160-W164 HydrophobicContact CD2-CD2 4.38Å; L160-W164 HydrophobicContact CD2-CG 3.52Å; L160-W164 HydrophobicContact CG-CB 4.02Å; L160-W164 HydrophobicContact CG-CG 3.74Å; D161-W164 PolarHBondContact O-N 2.76Å; A162-W164 PolarHBondContact O-N 2.7Å
165V87.1Confident80Confident2 Ų242.6 Ų42.61%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-106.2124.6-179.4-172.60000109.7T135 T136 V138 L150 W170 L173T135-V165 PolarHBondContact N-O 2.93Å; T135-V165 PolarHBondContact OG1-O 2.88Å; T136-V165 HydrophobicContact CG2-CB 4.27Å; T136-V165 HydrophobicContact CG2-CG2 4.29Å; T136-V165 PolarHBondContact O-N 2.94Å; V138-V165 HydrophobicContact CG2-CG2 3.64Å; L150-V165 HydrophobicContact CD2-CG2 4.35Å; V165-W170 HydrophobicContact CG1-CB 4.15Å; V165-L173 HydrophobicContact CG1-CD1 4.07Å
166S86.6Confident80.7Confident2 Ų241 Ų411%0.01423%0.229CC..EExtended strand (participates in β ladder)trans-74.9158169.965.70000111.5L150 R152 A168 S169 W170L150-S166 WeakPolarHBondContact O-CB 3.31Å; L150-S166 PolarHBondContact O-N 3.14Å; L150-S166 PolarHBondContact O-OG 3.42Å; R152-S166 PolarHBondContact N-OG 3.35Å; R152-S166 PolarHBondContact O-OG 2.91Å; R152-S166 VanDerWaalsContact O-OG 3.12Å; S166-A168 VanDerWaalsContact C-N 3.3Å; S166-A168 PolarHBondContact O-N 3.29Å; S166-S169 PolarHBondContact O-N 3.12Å; S166-S169 WeakPolarHBondContact OG-CB 3.45Å; S166-S169 PolarHBondContact OG-N 3.39Å; S166-S169 PolarHBondContact OG-OG 2.93Å; S166-S169 VanDerWaalsContact OG-OG 3.06Å; S166-W170 WeakPolarHBondContact O-CB 3.44Å; S166-W170 PolarHBondContact O-N 2.92Å
167S84.2Confident81.6Confident1 Ų138 Ų381%0.00722%0.215CC..Hα-helixtrans-62.5-35.4177.1-55.60000113.2F130 F133 T135 W170 Y171F130-S167 WeakPolarHBondContact O-CB 3.41Å; F133-S167 VanDerWaalsContact CB-OG 3.3Å; F133-S167 WeakPolarHBondContact CB-OG 3.4Å; F133-S167 PolarHBondContact O-N 3.33Å; F133-S167 PolarHBondContact O-OG 3.45Å; T135-S167 VanDerWaalsContact CG2-OG 3.25Å; T135-S167 WeakPolarHBondContact CG2-OG 3.43Å; S167-W170 WeakPolarHBondContact O-CB 3.44Å; S167-W170 PolarHBondContact O-N 2.97Å; S167-Y171 PolarHBondContact O-N 3.35Å
168A84Confident82.4Confident7 Ų735.1 Ų35.16%0.05820%0.2CC..Hα-helixtrans-65.9-42.6175.700000111.7R152 S166 Y171 F172R152-A168 HydrophobicContact CB-CB 4.4Å; S166-A168 VanDerWaalsContact C-N 3.3Å; S166-A168 PolarHBondContact O-N 3.29Å; A168-Y171 WeakPolarHBondContact O-CB 3.4Å; A168-Y171 PolarHBondContact O-N 2.82Å; A168-F172 WeakPolarHBondContact O-CD2 3.28Å; A168-F172 PolarHBondContact O-N 3.28Å
169S85.4Confident83.1Confident2 Ų234.9 Ų34.91%0.01419%0.189CC..Hα-helixtrans-70.5-32.5175.1-62.10000112.7M149 L150 R152 S166 Y171 F172 L173M149-S169 WeakPolarHBondContact O-CB 3.26Å; M149-S169 PolarHBondContact O-OG 3.39Å; L150-S169 VanDerWaalsContact C-CB 3.49Å; L150-S169 VanDerWaalsContact CA-OG 3.3Å; L150-S169 WeakPolarHBondContact CA-OG 3.45Å; L150-S169 WeakPolarHBondContact O-CB 3.48Å; L150-S169 PolarHBondContact O-OG 3.02Å; R152-S169 PolarHBondContact N-OG 3.25Å; S166-S169 PolarHBondContact O-N 3.12Å; S166-S169 WeakPolarHBondContact OG-CB 3.45Å; S166-S169 PolarHBondContact OG-N 3.39Å; S166-S169 PolarHBondContact OG-OG 2.93Å; S166-S169 VanDerWaalsContact OG-OG 3.06Å; S169-Y171 VanDerWaalsContact C-N 3.28Å; S169-Y171 PolarHBondContact O-N 3.25Å; S169-F172 PolarHBondContact O-N 3.12Å; S169-L173 WeakPolarHBondContact O-CG 3.26Å; S169-L173 PolarHBondContact O-N 3.2Å
170W88.2Confident83.6Confident41 Ų4132.8 Ų32.816%0.15517%0.174CC..Hα-helixtrans-59.8-40.1171.5179.9-121.2000111.6F15 L18 V19 T135 V165 S166 S167 L173 N174F15-W170 HydrophobicContact CD1-CZ2 4.4Å; F15-W170 AromaticContact CD2-CD2 3.86Å; F15-W170 HydrophobicContact CD2-CD2 3.86Å; F15-W170 AromaticContact CD2-CE2 3.36Å; F15-W170 HydrophobicContact CD2-CE3 4.47Å; F15-W170 HydrophobicContact CD2-CG 4.3Å; F15-W170 HydrophobicContact CD2-CH2 4.34Å; F15-W170 AromaticContact CD2-CZ2 3.68Å; F15-W170 HydrophobicContact CD2-CZ2 3.68Å; F15-W170 AromaticContact CD2-NE1 3.44Å; F15-W170 HydrophobicContact CE1-CH2 4.44Å; F15-W170 AromaticContact CE1-CZ2 3.83Å; F15-W170 HydrophobicContact CE1-CZ2 3.83Å; F15-W170 AromaticContact CE2-CD2 3.7Å; F15-W170 HydrophobicContact CE2-CD2 3.7Å; F15-W170 AromaticContact CE2-CE2 3.18Å; F15-W170 AromaticContact CE2-CE3 3.92Å; F15-W170 HydrophobicContact CE2-CE3 3.92Å; F15-W170 AromaticContact CE2-CH2 3.32Å; F15-W170 HydrophobicContact CE2-CH2 3.32Å; F15-W170 AromaticContact CE2-CZ2 3.02Å; F15-W170 HydrophobicContact CE2-CZ2 3.02Å; F15-W170 AromaticContact CE2-CZ3 3.75Å; F15-W170 HydrophobicContact CE2-CZ3 3.75Å; F15-W170 AromaticContact CE2-NE1 3.78Å; F15-W170 HydrophobicContact CG-CZ2 4.33Å; F15-W170 AromaticContact CG-NE1 3.83Å; F15-W170 AromaticContact CZ-CE2 3.75Å; F15-W170 AromaticContact CZ-CH2 3.38Å; F15-W170 HydrophobicContact CZ-CH2 3.38Å; F15-W170 AromaticContact CZ-CZ2 3.1Å; F15-W170 HydrophobicContact CZ-CZ2 3.1Å; F15-W170 HydrophobicContact CZ-CZ3 4.22Å; F15-W170 PolarHBondContact O-NE1 3.49Å; L18-W170 HydrophobicContact CD2-CG 4.34Å; V19-W170 HydrophobicContact CG2-CZ2 3.59Å; T135-W170 HydrophobicContact CG2-CB 4.2Å; T135-W170 HydrophobicContact CG2-CG 4.37Å; V165-W170 HydrophobicContact CG1-CB 4.15Å; S166-W170 WeakPolarHBondContact O-CB 3.44Å; S166-W170 PolarHBondContact O-N 2.92Å; S167-W170 WeakPolarHBondContact O-CB 3.44Å; S167-W170 PolarHBondContact O-N 2.97Å; W170-L173 HydrophobicContact CE3-CB 4.27Å; W170-L173 HydrophobicContact CE3-CD1 4.12Å; W170-L173 HydrophobicContact CZ3-CB 4.48Å; W170-L173 HydrophobicContact CZ3-CD1 4.48Å; W170-L173 PolarHBondContact O-N 2.99Å; W170-N174 WeakPolarHBondContact CZ2-ND2 3.21Å; W170-N174 PolarHBondContact NE1-ND2 3.12Å; W170-N174 PolarHBondContact O-N 2.87Å; W170-N174 PolarHBondContact O-ND2 2.92Å
171Y88.1Confident84.1Confident11 Ų1136.2 Ų36.24%0.04319%0.19CC..Hα-helixtrans-58.4-50171.3161.2-112.3000112.5T22 I122 I126 S167 A168 S169 L173 N174 I175T22-Y171 HydrophobicContact CG2-CD2 3.31Å; T22-Y171 HydrophobicContact CG2-CE2 3.68Å; I122-Y171 HydrophobicContact CG1-CE2 4.24Å; I122-Y171 HydrophobicContact CG2-CE2 4.44Å; I122-Y171 WeakPolarHBondContact CG2-OH 3.45Å; I126-Y171 HydrophobicContact CB-CG 4.48Å; I126-Y171 HydrophobicContact CD1-CD1 4.17Å; I126-Y171 HydrophobicContact CD1-CD2 3.05Å; I126-Y171 HydrophobicContact CD1-CE1 4.37Å; I126-Y171 HydrophobicContact CD1-CE2 3.34Å; I126-Y171 HydrophobicContact CD1-CG 3.5Å; I126-Y171 HydrophobicContact CG1-CD2 4.44Å; I126-Y171 HydrophobicContact CG2-CD1 4.4Å; I126-Y171 HydrophobicContact CG2-CG 4.04Å; S167-Y171 PolarHBondContact O-N 3.35Å; A168-Y171 WeakPolarHBondContact O-CB 3.4Å; A168-Y171 PolarHBondContact O-N 2.82Å; S169-Y171 VanDerWaalsContact C-N 3.28Å; S169-Y171 PolarHBondContact O-N 3.25Å; Y171-L173 VanDerWaalsContact C-N 3.28Å; Y171-L173 PolarHBondContact O-N 2.93Å; Y171-N174 WeakPolarHBondContact O-CB 3.45Å; Y171-N174 PolarHBondContact O-N 3.18Å; Y171-N174 VanDerWaalsContact O-N 3.07Å; Y171-I175 HydrophobicContact CD1-CD1 3.97Å; Y171-I175 HydrophobicContact CD2-CD1 4.1Å; Y171-I175 HydrophobicContact CD2-CG1 4.11Å; Y171-I175 HydrophobicContact CE1-CD1 3.38Å; Y171-I175 HydrophobicContact CE1-CG1 4.38Å; Y171-I175 HydrophobicContact CE2-CD1 3.53Å; Y171-I175 HydrophobicContact CE2-CG1 3.63Å; Y171-I175 HydrophobicContact CG-CD1 4.31Å; Y171-I175 WeakPolarHBondContact O-CG1 3.32Å; Y171-I175 PolarHBondContact O-N 3.49Å; Y171-I175 VanDerWaalsContact OH-CD1 3.31Å; Y171-I175 WeakPolarHBondContact OH-CD1 3.5Å
172F84.1Confident84.3Confident52 Ų5233.8 Ų33.823%0.22818%0.176CC..Hα-helixtrans-58.6-41.4177-73.3-67.1000111.9R152 A168 S169 N174 I175 F176R152-F172 VanDerWaalsContact NH1-CZ 3.26Å; A168-F172 WeakPolarHBondContact O-CD2 3.28Å; A168-F172 PolarHBondContact O-N 3.28Å; S169-F172 PolarHBondContact O-N 3.12Å; F172-N174 VanDerWaalsContact C-N 3.34Å; F172-N174 PolarHBondContact O-N 3.31Å; F172-I175 HydrophobicContact CD1-CD1 4.12Å; F172-I175 PolarHBondContact O-N 3.3Å; F172-F176 HydrophobicContact CB-CE2 4.46Å; F172-F176 WeakPolarHBondContact O-CD2 3.28Å; F172-F176 PolarHBondContact O-N 3.47Å; F172-F176 VanDerWaalsContact O-N 3.16Å
173L87.3Confident84.3Confident64 Ų6435.1 Ų35.134%0.33519%0.191SC..Hα-helixtrans-61.8-40.4174.9-70.9173.4000112.3L150 V165 S169 W170 Y171 F176 G177L150-L173 HydrophobicContact CD2-CD1 4.12Å; V165-L173 HydrophobicContact CG1-CD1 4.07Å; S169-L173 WeakPolarHBondContact O-CG 3.26Å; S169-L173 PolarHBondContact O-N 3.2Å; W170-L173 HydrophobicContact CE3-CB 4.27Å; W170-L173 HydrophobicContact CE3-CD1 4.12Å; W170-L173 HydrophobicContact CZ3-CB 4.48Å; W170-L173 HydrophobicContact CZ3-CD1 4.48Å; W170-L173 PolarHBondContact O-N 2.99Å; Y171-L173 VanDerWaalsContact C-N 3.28Å; Y171-L173 PolarHBondContact O-N 2.93Å; L173-F176 PolarHBondContact O-N 2.89Å; L173-G177 PolarHBondContact O-N 2.97Å
174N88Confident84.3Confident12 Ų1242.4 Ų42.46%0.06423%0.229CC..Hα-helixtrans-64.2-41.7175.1-77.9-65.1000112.2V19 T22 W170 Y171 F172 F176 G177 L178V19-N174 WeakPolarHBondContact CG2-OD1 3.37Å; T22-N174 HydrophobicContact CG2-CB 4.23Å; W170-N174 WeakPolarHBondContact CZ2-ND2 3.21Å; W170-N174 PolarHBondContact NE1-ND2 3.12Å; W170-N174 PolarHBondContact O-N 2.87Å; W170-N174 PolarHBondContact O-ND2 2.92Å; Y171-N174 WeakPolarHBondContact O-CB 3.45Å; Y171-N174 PolarHBondContact O-N 3.18Å; Y171-N174 VanDerWaalsContact O-N 3.07Å; F172-N174 VanDerWaalsContact C-N 3.34Å; F172-N174 PolarHBondContact O-N 3.31Å; N174-F176 VanDerWaalsContact C-N 3.31Å; N174-F176 PolarHBondContact O-N 3.42Å; N174-G177 PolarHBondContact O-N 3.43Å; N174-L178 HydrophobicContact CB-CD1 4.19Å; N174-L178 WeakPolarHBondContact O-CB 3.33Å; N174-L178 WeakPolarHBondContact O-CG 3.31Å; N174-L178 PolarHBondContact O-N 2.93Å
175I83.6Confident84.2Confident28 Ų2845.5 Ų45.514%0.14425%0.25CS..Hα-helixtrans-56.9-49176.2-62.6163.4000110.4Y171 F172 R179Y171-I175 HydrophobicContact CD1-CD1 3.97Å; Y171-I175 HydrophobicContact CD2-CD1 4.1Å; Y171-I175 HydrophobicContact CD2-CG1 4.11Å; Y171-I175 HydrophobicContact CE1-CD1 3.38Å; Y171-I175 HydrophobicContact CE1-CG1 4.38Å; Y171-I175 HydrophobicContact CE2-CD1 3.53Å; Y171-I175 HydrophobicContact CE2-CG1 3.63Å; Y171-I175 HydrophobicContact CG-CD1 4.31Å; Y171-I175 WeakPolarHBondContact O-CG1 3.32Å; Y171-I175 PolarHBondContact O-N 3.49Å; Y171-I175 VanDerWaalsContact OH-CD1 3.31Å; Y171-I175 WeakPolarHBondContact OH-CD1 3.5Å; F172-I175 HydrophobicContact CD1-CD1 4.12Å; F172-I175 PolarHBondContact O-N 3.3Å; I175-R179 PolarHBondContact O-N 3.27Å
176F82.6Confident83.8Confident119 Ų11947 Ų4752%0.52226%0.258SS..Hα-helixtrans-70.3-37.6-178.5-67-59.5000112.8F172 L173 N174 R179F172-F176 HydrophobicContact CB-CE2 4.46Å; F172-F176 WeakPolarHBondContact O-CD2 3.28Å; F172-F176 PolarHBondContact O-N 3.47Å; F172-F176 VanDerWaalsContact O-N 3.16Å; L173-F176 PolarHBondContact O-N 2.89Å; N174-F176 VanDerWaalsContact C-N 3.31Å; N174-F176 PolarHBondContact O-N 3.42Å; F176-R179 WeakPolarHBondContact O-CB 3.43Å
177G84.7Confident83.3Confident46 Ų4648.4 Ų48.447%0.47427%0.272SS..Hα-helixtrans-75.4-38.3-179.400000113.6L173 N174 R179 S180L173-G177 PolarHBondContact O-N 2.97Å; N174-G177 PolarHBondContact O-N 3.43Å; G177-R179 PolarHBondContact O-N 3.02Å; G177-S180 PolarHBondContact O-OG 3.35Å
178L85Confident82.5Confident11 Ų1153.7 Ų53.76%0.05831%0.309CS..Hα-helixtrans-74.2-12.2179.6-66.3174.6000112.8T22 F23 N174 S180 M181 Y182T22-L178 WeakPolarHBondContact OG1-CD1 3.49Å; F23-L178 HydrophobicContact CB-CD1 4.09Å; F23-L178 HydrophobicContact CD2-CD2 4.45Å; N174-L178 HydrophobicContact CB-CD1 4.19Å; N174-L178 WeakPolarHBondContact O-CB 3.33Å; N174-L178 WeakPolarHBondContact O-CG 3.31Å; N174-L178 PolarHBondContact O-N 2.93Å; L178-S180 VanDerWaalsContact C-N 3.3Å; L178-S180 PolarHBondContact O-N 3.41Å; L178-M181 HydrophobicContact CD2-CB 4.47Å; L178-M181 HydrophobicContact CD2-CG 4.4Å; L178-M181 HydrophobicContact CD2-SD 3.55Å; L178-M181 VanDerWaalsContact CD2-SD 3.55Å; L178-M181 CarbonylContact O-C 3.26Å; L178-M181 WeakPolarHBondContact O-CA 3.33Å; L178-M181 WeakPolarHBondContact O-CB 3.46Å; L178-M181 PolarHBondContact O-N 2.96Å; L178-Y182 HydrophobicContact CB-CD2 4.23Å; L178-Y182 HydrophobicContact CB-CE2 3.67Å; L178-Y182 WeakPolarHBondContact O-CD2 3.49Å; L178-Y182 PolarHBondContact O-N 3.04Å
179R79.5Confident81.5Confident91 Ų9160.5 Ų60.534%0.34335%0.345SS..Hα-helixtrans-46.6-51.6174173.5171.6-179.8147.927.3112.6I175 F176 G177 M181 Y182 G183 D193 M196I175-R179 PolarHBondContact O-N 3.27Å; F176-R179 WeakPolarHBondContact O-CB 3.43Å; G177-R179 PolarHBondContact O-N 3.02Å; R179-M181 VanDerWaalsContact C-N 3.34Å; R179-M181 PolarHBondContact O-N 3.37Å; R179-Y182 PolarHBondContact O-N 3.5Å; R179-G183 PolarHBondContact O-N 2.96Å; R179-G183 VanDerWaalsContact O-N 3.09Å; R179-D193 WeakPolarHBondContact CD-OD1 3.02Å; R179-D193 WeakPolarHBondContact CG-OD1 3.27Å; R179-D193 IonicContact CZ-OD1 3.19Å; R179-D193 IonicContact CZ-OD2 2.89Å; R179-D193 IonicContact NE-OD1 2.7Å; R179-D193 PolarHBondContact NE-OD1 2.86Å; R179-D193 IonicContact NE-OD2 2.82Å; R179-D193 PolarHBondContact NE-OD2 3.39Å; R179-D193 IonicContact NH1-OD1 3.17Å; R179-D193 IonicContact NH2-OD1 2.59Å; R179-D193 PolarHBondContact NH2-OD1 2.86Å; R179-D193 IonicContact NH2-OD2 3.17Å; R179-D193 PolarHBondContact NH2-OD2 3.14Å; R179-M196 PolarHBondContact NH1-SD 2.93Å; R179-M196 VanDerWaalsContact NH1-SD 3.41Å
180S81.1Confident80.6Confident82 Ų8260.8 Ų60.857%0.57335%0.347SS*.Hα-helixtrans-67-36.418058.40000112.1G177 L178 G183 L184G177-S180 PolarHBondContact O-OG 3.35Å; L178-S180 VanDerWaalsContact C-N 3.3Å; L178-S180 PolarHBondContact O-N 3.41Å; S180-G183 PolarHBondContact O-N 3.42Å; S180-L184 WeakPolarHBondContact O-CG 3.45Å; S180-L184 PolarHBondContact O-N 2.9Å; S180-L184 VanDerWaalsContact O-N 3.14Å
181M82.5Confident79.3Confident95 Ų9559.3 Ų59.347%0.46834%0.343SS..Hα-helixtrans-66-41.2176.2-64.1-169.868.300111.8L178 R179 G183 L184 V185L178-M181 HydrophobicContact CD2-CB 4.47Å; L178-M181 HydrophobicContact CD2-CG 4.4Å; L178-M181 HydrophobicContact CD2-SD 3.55Å; L178-M181 VanDerWaalsContact CD2-SD 3.55Å; L178-M181 CarbonylContact O-C 3.26Å; L178-M181 WeakPolarHBondContact O-CA 3.33Å; L178-M181 WeakPolarHBondContact O-CB 3.46Å; L178-M181 PolarHBondContact O-N 2.96Å; R179-M181 VanDerWaalsContact C-N 3.34Å; R179-M181 PolarHBondContact O-N 3.37Å; M181-G183 VanDerWaalsContact C-N 3.33Å; M181-G183 PolarHBondContact O-N 2.91Å; M181-L184 PolarHBondContact O-N 3.12Å; M181-V185 WeakPolarHBondContact O-CG2 3.37Å; M181-V185 PolarHBondContact O-N 3.49Å
182Y83.4Confident77.8Confident13 Ų1359.4 Ų59.45%0.05135%0.346CS..Hα-helixtrans-59.6-47.3172.7-64.4-51.4000110.4T22 F23 V27 L178 R179 L184 V185 L186 N190 A192T22-Y182 PolarHBondContact O-OH 3.25Å; F23-Y182 VanDerWaalsContact CA-OH 3.29Å; F23-Y182 WeakPolarHBondContact CA-OH 3.21Å; F23-Y182 HydrophobicContact CD2-CD1 4.37Å; F23-Y182 AromaticContact CD2-CE1 3.7Å; F23-Y182 HydrophobicContact CD2-CE1 3.7Å; F23-Y182 HydrophobicContact CE2-CD1 4.22Å; F23-Y182 AromaticContact CE2-CE1 3.97Å; F23-Y182 HydrophobicContact CE2-CE1 3.97Å; F23-Y182 PolarHBondContact O-OH 3.29Å; V27-Y182 HydrophobicContact CG2-CE1 4.4Å; L178-Y182 HydrophobicContact CB-CD2 4.23Å; L178-Y182 HydrophobicContact CB-CE2 3.67Å; L178-Y182 WeakPolarHBondContact O-CD2 3.49Å; L178-Y182 PolarHBondContact O-N 3.04Å; R179-Y182 PolarHBondContact O-N 3.5Å; Y182-L184 PolarHBondContact O-N 2.82Å; Y182-L184 VanDerWaalsContact O-N 3.15Å; Y182-V185 PolarHBondContact O-N 3.18Å; Y182-L186 HydrophobicContact CD1-CD1 3.95Å; Y182-L186 HydrophobicContact CG-CD1 4.49Å; Y182-L186 PolarHBondContact O-N 3.2Å; Y182-N190 PolarHBondContact O-ND2 3.46Å; Y182-A192 HydrophobicContact CD1-CB 4.32Å; Y182-A192 HydrophobicContact CD2-CB 3.77Å; Y182-A192 HydrophobicContact CE2-CB 4.32Å; Y182-A192 HydrophobicContact CG-CB 3.78Å
183G78.3Confident76.6Confident33 Ų3359 Ų5934%0.3435%0.346SS..Hα-helixtrans-49.1-40.9175.200000113.4R179 S180 M181 G187 N190R179-G183 PolarHBondContact O-N 2.96Å; R179-G183 VanDerWaalsContact O-N 3.09Å; S180-G183 PolarHBondContact O-N 3.42Å; M181-G183 VanDerWaalsContact C-N 3.33Å; M181-G183 PolarHBondContact O-N 2.91Å; G183-G187 WeakPolarHBondContact CA-O 3.48Å; G183-G187 CarbonylContact O-C 3.58Å; G183-G187 VanDerWaalsContact O-C 3.26Å; G183-G187 WeakPolarHBondContact O-CA 3.27Å; G183-G187 PolarHBondContact O-N 3.07Å; G183-N190 WeakPolarHBondContact CA-ND2 3.41Å; G183-N190 PolarHBondContact N-ND2 2.85Å
184L82.6Confident75.1Confident154 Ų15459.1 Ų59.181%0.80635%0.347SS*.Hα-helixtrans-75.8-38.8178.1-68.4167.7000113.8S180 M181 Y182S180-L184 WeakPolarHBondContact O-CG 3.45Å; S180-L184 PolarHBondContact O-N 2.9Å; S180-L184 VanDerWaalsContact O-N 3.14Å; M181-L184 PolarHBondContact O-N 3.12Å; Y182-L184 PolarHBondContact O-N 2.82Å; Y182-L184 VanDerWaalsContact O-N 3.15Å
185V81Confident73.4Confident90 Ų9059.3 Ų59.355%0.54535%0.35SS..Hα-helixtrans-83.3-39.7-173.7173.90000112.3M181 Y182M181-V185 WeakPolarHBondContact O-CG2 3.37Å; M181-V185 PolarHBondContact O-N 3.49Å; Y182-V185 PolarHBondContact O-N 3.18Å
186L80.3Confident71.8Confident33 Ų3363.7 Ų63.717%0.17337%0.371CS..Hα-helixtrans-109.2-17.2-169.2-57.7169.8000112.3V27 H30 Y182 N190V27-L186 HydrophobicContact CG2-CD1 4.46Å; H30-L186 HydrophobicContact CB-CD1 3.84Å; Y182-L186 HydrophobicContact CD1-CD1 3.95Å; Y182-L186 HydrophobicContact CG-CD1 4.49Å; Y182-L186 PolarHBondContact O-N 3.2Å; L186-N190 HydrophobicContact CB-CB 4.44Å; L186-N190 VanDerWaalsContact CB-ND2 3.31Å; L186-N190 WeakPolarHBondContact CB-ND2 3.19Å; L186-N190 WeakPolarHBondContact CB-OD1 3.44Å; L186-N190 PolarHBondContact O-OD1 3.01Å
187G75.5Confident70.2Confident31 Ų3161.8 Ų61.832%0.3237%0.365SS..  trans114.7-178.6178.100000114.7G183 N190G183-G187 WeakPolarHBondContact CA-O 3.48Å; G183-G187 CarbonylContact O-C 3.58Å; G183-G187 VanDerWaalsContact O-C 3.26Å; G183-G187 WeakPolarHBondContact O-CA 3.27Å; G183-G187 PolarHBondContact O-N 3.07Å; G187-N190 PolarHBondContact N-ND2 3.34Å; G187-N190 PolarHBondContact N-OD1 2.97Å; G187-N190 PolarHBondContact O-ND2 3.07Å; G187-N190 PolarHBondContact O-OD1 3.27Å
188S67.9Low68.6Low112 Ų11263.9 Ų63.978%0.78337%0.365SS*.THydrogen-bonded Turntrans-72.8-28.7178.5490000113.4N190S188-N190 VanDerWaalsContact C-N 3.32Å; S188-N190 PolarHBondContact O-N 2.93Å
189D63.3Low66.8Low150 Ų15069 Ų6980%0.80240%0.397SS*.THydrogen-bonded Turntrans-95.139-173.2-63.9-38.4000113.2A191D189-A191 PolarHBondContact O-N 3.37Å
190N64.8Low65.2Low9 Ų969.5 Ų69.55%0.04841%0.407CS..  trans-81.1125-174.9-61.4-30000113.1H30 Y182 G183 L186 G187 S188 A192 D193H30-N190 PolarHBondContact CE1-OD1 3.39Å; H30-N190 VanDerWaalsContact CE1-OD1 3.3Å; Y182-N190 PolarHBondContact O-ND2 3.46Å; G183-N190 WeakPolarHBondContact CA-ND2 3.41Å; G183-N190 PolarHBondContact N-ND2 2.85Å; L186-N190 HydrophobicContact CB-CB 4.44Å; L186-N190 VanDerWaalsContact CB-ND2 3.31Å; L186-N190 WeakPolarHBondContact CB-ND2 3.19Å; L186-N190 WeakPolarHBondContact CB-OD1 3.44Å; L186-N190 PolarHBondContact O-OD1 3.01Å; G187-N190 PolarHBondContact N-ND2 3.34Å; G187-N190 PolarHBondContact N-OD1 2.97Å; G187-N190 PolarHBondContact O-ND2 3.07Å; G187-N190 PolarHBondContact O-OD1 3.27Å; S188-N190 VanDerWaalsContact C-N 3.32Å; S188-N190 PolarHBondContact O-N 2.93Å; N190-A192 HydrophobicContact CB-CB 4.31Å; N190-A192 PolarHBondContact O-N 3.03Å; N190-D193 WeakPolarHBondContact O-CB 3.36Å; N190-D193 PolarHBondContact O-N 3.44Å
191A61.6Low63.6Low9 Ų970.8 Ų70.87%0.07440%0.403CS..THydrogen-bonded Turntrans-58.7-14.8166.400000114.9R29 T33 D189 D193R29-A191 PolarHBondContact NE-O 3.05Å; R29-A191 PolarHBondContact NH2-O 2.71Å; T33-A191 HydrophobicContact CG2-CB 3.47Å; T33-A191 VanDerWaalsContact CG2-CB 3.47Å; D189-A191 PolarHBondContact O-N 3.37Å; A191-D193 PolarHBondContact O-N 3.3Å
192A56.6Low61.8Low13 Ų1373.6 Ų73.611%0.10742%0.415CS..THydrogen-bonded Turntrans-66.5-26.8173.700000111.9Y182 N190Y182-A192 HydrophobicContact CD1-CB 4.32Å; Y182-A192 HydrophobicContact CD2-CB 3.77Å; Y182-A192 HydrophobicContact CE2-CB 4.32Å; Y182-A192 HydrophobicContact CG-CB 3.78Å; N190-A192 HydrophobicContact CB-CB 4.31Å; N190-A192 PolarHBondContact O-N 3.03Å
193D58.9Low60Low45 Ų4578.6 Ų78.624%0.24145%0.447CS..G310 helixtrans-81.7-16.2-175.1-160.79.1000114.1R179 N190 A191 S195R179-D193 WeakPolarHBondContact CD-OD1 3.02Å; R179-D193 WeakPolarHBondContact CG-OD1 3.27Å; R179-D193 IonicContact CZ-OD1 3.19Å; R179-D193 IonicContact CZ-OD2 2.89Å; R179-D193 IonicContact NE-OD1 2.7Å; R179-D193 PolarHBondContact NE-OD1 2.86Å; R179-D193 IonicContact NE-OD2 2.82Å; R179-D193 PolarHBondContact NE-OD2 3.39Å; R179-D193 IonicContact NH1-OD1 3.17Å; R179-D193 IonicContact NH2-OD1 2.59Å; R179-D193 PolarHBondContact NH2-OD1 2.86Å; R179-D193 IonicContact NH2-OD2 3.17Å; R179-D193 PolarHBondContact NH2-OD2 3.14Å; N190-D193 WeakPolarHBondContact O-CB 3.36Å; N190-D193 PolarHBondContact O-N 3.44Å; A191-D193 PolarHBondContact O-N 3.3Å; D193-S195 PolarHBondContact O-N 2.72Å
194N56.2Low58.6Low65 Ų6581.4 Ų81.435%0.34846%0.459SS..G310 helixtrans-685.8-171.9-70.7-19.3000115.6M196 I197N194-M196 PolarHBondContact O-N 2.81Å; N194-I197 HydrophobicContact CB-CD1 3.89Å; N194-I197 WeakPolarHBondContact O-CB 3.32Å; N194-I197 VanDerWaalsContact O-CG1 3.3Å; N194-I197 WeakPolarHBondContact O-CG1 3.38Å; N194-I197 PolarHBondContact O-N 3.07Å
195S52.7Low56.8Low17 Ų1779.6 Ų79.612%0.11945%0.454CS..G310 helixtrans-62.2-19.9176.365.10000114.5D193 I197D193-S195 PolarHBondContact O-N 2.72Å; S195-I197 PolarHBondContact O-N 3.01Å
196M48.9Very low55.2Low119 Ų11979.3 Ų79.359%0.58645%0.454SS*.G310 helixtrans-77.31.2177-144.5173.4103.300113.9R179 N194 L198 T199R179-M196 PolarHBondContact NH1-SD 2.93Å; R179-M196 VanDerWaalsContact NH1-SD 3.41Å; N194-M196 PolarHBondContact O-N 2.81Å; M196-L198 PolarHBondContact O-N 3.2Å; M196-T199 PolarHBondContact O-OG1 3.49Å; M196-T199 VanDerWaalsContact O-OG1 3.08Å
197I48.5Very low53.7Low80 Ų8086.3 Ų86.341%0.4149%0.486SS..G310 helixtrans-71.4-14.8174.3-61173.4000111.7N194 S195 T199 D200N194-I197 HydrophobicContact CB-CD1 3.89Å; N194-I197 WeakPolarHBondContact O-CB 3.32Å; N194-I197 VanDerWaalsContact O-CG1 3.3Å; N194-I197 WeakPolarHBondContact O-CG1 3.38Å; N194-I197 PolarHBondContact O-N 3.07Å; S195-I197 PolarHBondContact O-N 3.01Å; I197-T199 PolarHBondContact O-N 3.43Å; I197-D200 CarbonylContact O-C 3.6Å; I197-D200 PolarHBondContact O-N 2.93Å
198L51.2Low52.5Low89 Ų8988.8 Ų88.847%0.46650%0.504SS..G310 helixtrans-61.9-25.6176.6-94.9147.1000114.1M119 M196 H201M119-L198 HydrophobicContact CE-CD1 3.37Å; M119-L198 HydrophobicContact SD-CD1 3.4Å; M119-L198 WeakPolarHBondContact SD-CD1 3.36Å; M196-L198 PolarHBondContact O-N 3.2Å; L198-H201 PolarHBondContact O-CD2 3.48Å; L198-H201 VanDerWaalsContact O-CD2 3.29Å
199T49.1Very low51.9Low120 Ų12085.9 Ų85.974%0.73648%0.482SS*.G310 helixtrans-83.8-13.5176.542.40000113.6M196 I197M196-T199 PolarHBondContact O-OG1 3.49Å; M196-T199 VanDerWaalsContact O-OG1 3.08Å; I197-T199 PolarHBondContact O-N 3.43Å
200D45.5Very low51.7Low101 Ų10185.7 Ų85.754%0.5448%0.477SS..G310 helixtrans-115.441.9179.2-149.517.3000111.7I197 Q202I197-D200 CarbonylContact O-C 3.6Å; I197-D200 PolarHBondContact O-N 2.93Å; D200-Q202 PolarHBondContact O-N 3.37Å
201H48Very low52Low109 Ų10986.2 Ų86.251%0.50548%0.479SS..  trans-67.928.3160.5-77.8-53.4000112.4L198 V203L198-H201 PolarHBondContact O-CD2 3.48Å; L198-H201 VanDerWaalsContact O-CD2 3.29Å; H201-V203 PolarHBondContact O-N 3.49Å
202Q43.4Very low52.7Low154 Ų15487.3 Ų87.372%0.7248%0.483SS*.  trans-58.5104146.5-67.8-162.1-66.100104.4D200 P204D200-Q202 PolarHBondContact O-N 3.37Å; Q202-P204 VanDerWaalsContact O-CD 3.26Å; Q202-P204 WeakPolarHBondContact O-CD 3.19Å
203V46.7Very low53.8Low118 Ų11889 Ų8972%0.71549%0.489SS*.  trans-39.4116.6158.51760000103.6H201 T205H201-V203 PolarHBondContact O-N 3.49Å; V203-T205 PolarHBondContact O-N 3.12Å
204P47.2Very low55Low91 Ų9192.7 Ų92.759%0.59150%0.503SS*.  trans-52.6106.3176.5-21.229.5000103.3Q202 P206Q202-P204 VanDerWaalsContact O-CD 3.26Å; Q202-P204 WeakPolarHBondContact O-CD 3.19Å; P204-P206 WeakPolarHBondContact O-CD 3.33Å
205T46.5Very low56.3Low116 Ų11690.2 Ų90.271%0.71249%0.492SS*.  trans-54.7119.5168.920.90000101V203 Q207V203-T205 PolarHBondContact O-N 3.12Å; T205-Q207 PolarHBondContact O-N 3.19Å
206P47.2Very low57.9Low84 Ų8489.4 Ų89.455%0.54549%0.486SS..  trans-60.496.7179.221-28.5000104.1P98 P204 A208P98-P206 HydrophobicContact CG-CB 4.18Å; P204-P206 WeakPolarHBondContact O-CD 3.33Å; P206-A208 PolarHBondContact O-N 3.46Å
207Q47.3Very low59.7Low180 Ų18090 Ų9084%0.84149%0.485SS*.  trans-55.7108160.5-88.3173.6-46.400100.7T205 P209T205-Q207 PolarHBondContact O-N 3.19Å; Q207-P209 WeakPolarHBondContact O-CA 3.05Å; Q207-P209 WeakPolarHBondContact O-CD 3.18Å
208A51.6Low61.6Low84 Ų8488.9 Ų88.969%0.69449%0.488SS*.  trans-43114.1-17800000104.9P206 Q210P206-A208 PolarHBondContact O-N 3.46Å; A208-Q210 PolarHBondContact O-N 3.18Å
209P54Low63.3Low50 Ų5085.6 Ų85.633%0.32547%0.47SS..  trans-50.3119.7-169.38.7-22.2000105.9P94 P98 Q207 D211P94-P209 HydrophobicContact CB-CB 4.5Å; P94-P209 HydrophobicContact CB-CG 4.1Å; P94-P209 HydrophobicContact CG-CB 3.67Å; P94-P209 HydrophobicContact CG-CG 3.7Å; P98-P209 HydrophobicContact CG-CG 4.48Å; Q207-P209 WeakPolarHBondContact O-CA 3.05Å; Q207-P209 WeakPolarHBondContact O-CD 3.18Å; P209-D211 PolarHBondContact O-N 3.41Å
210Q60.9Low65.1Low147 Ų14783 Ų8369%0.68745%0.447SS*.  trans-56.7113.6-169.3-166.9-175.44.100105.4A208 M212A208-Q210 PolarHBondContact O-N 3.18Å; Q210-M212 VanDerWaalsContact C-N 3.3Å; Q210-M212 PolarHBondContact O-N 3.05Å
211D69.8Low67.2Low19 Ų1982.6 Ų82.610%0.10244%0.441CS..  trans-57.2100.6-177.3-94.4-45.4000107.4S93 M95 P209 Q213 K214 A215S93-D211 WeakPolarHBondContact CA-OD1 3.43Å; S93-D211 WeakPolarHBondContact CB-OD1 3.05Å; S93-D211 PolarHBondContact OG-OD1 2.83Å; M95-D211 WeakPolarHBondContact CG-OD2 3.41Å; M95-D211 VanDerWaalsContact SD-OD2 3.39Å; P209-D211 PolarHBondContact O-N 3.41Å; D211-Q213 PolarHBondContact O-N 2.88Å; D211-Q213 VanDerWaalsContact O-N 3.12Å; D211-K214 HydrophobicContact CB-CB 3.83Å; D211-K214 HydrophobicContact CB-CD 3.72Å; D211-K214 HydrophobicContact CB-CG 3.74Å; D211-K214 WeakPolarHBondContact O-CA 3.45Å; D211-K214 WeakPolarHBondContact O-CB 3.04Å; D211-K214 PolarHBondContact O-N 2.92Å; D211-K214 VanDerWaalsContact OD2-CE 3.25Å; D211-K214 WeakPolarHBondContact OD2-CE 3.33Å; D211-K214 IonicContact OD2-NZ 3.79Å; D211-K214 PolarHBondContact OD2-NZ 3.39Å; D211-A215 PolarHBondContact O-N 3.34Å
212M76.2Confident69.1Low33 Ų3378.8 Ų78.816%0.16343%0.429CS..Hα-helixtrans-61.9-31.6-169.4-164.4145.1-90.100110D49 R91 Q210 A215 F216D49-M212 HydrophobicContact CB-CE 3.95Å; D49-M212 HydrophobicContact CB-CG 4.14Å; D49-M212 HydrophobicContact CB-SD 3.28Å; D49-M212 WeakPolarHBondContact CB-SD 3.29Å; D49-M212 VanDerWaalsContact CG-SD 3.58Å; R91-M212 HydrophobicContact CB-CB 4.14Å; R91-M212 HydrophobicContact CG-CB 4.3Å; R91-M212 HydrophobicContact CG-CG 4.18Å; Q210-M212 VanDerWaalsContact C-N 3.3Å; Q210-M212 PolarHBondContact O-N 3.05Å; M212-A215 WeakPolarHBondContact O-CB 3.06Å; M212-A215 PolarHBondContact O-N 2.99Å; M212-F216 HydrophobicContact CG-CE1 4.08Å; M212-F216 HydrophobicContact CG-CE2 4Å; M212-F216 HydrophobicContact CG-CZ 3.75Å; M212-F216 WeakPolarHBondContact O-CB 3.35Å; M212-F216 VanDerWaalsContact O-CG 3.26Å; M212-F216 WeakPolarHBondContact O-CG 3.45Å; M212-F216 PolarHBondContact O-N 2.93Å
213Q80.6Confident71.1Confident49 Ų4971.4 Ų71.423%0.22940%0.395CS..Hα-helixtrans-67.5-36.6173.7-149.561.44.900114.1Q89 D211 K217Q89-Q213 PolarHBondContact O-NE2 3.14Å; Q89-Q213 PolarHBondContact O-OE1 3.29Å; D211-Q213 PolarHBondContact O-N 2.88Å; D211-Q213 VanDerWaalsContact O-N 3.12Å; Q213-K217 WeakPolarHBondContact O-CB 3.37Å; Q213-K217 PolarHBondContact O-N 3.38Å
214K82.9Confident73.1Confident122 Ų12269.8 Ų69.853%0.5338%0.379SS..Hα-helixtrans-69.2-38.9172.2-68.5-179.2-173.2151.40110.5M95 D211 K217 A218M95-K214 PolarHBondContact SD-NZ 3.03Å; D211-K214 HydrophobicContact CB-CB 3.83Å; D211-K214 HydrophobicContact CB-CD 3.72Å; D211-K214 HydrophobicContact CB-CG 3.74Å; D211-K214 WeakPolarHBondContact O-CA 3.45Å; D211-K214 WeakPolarHBondContact O-CB 3.04Å; D211-K214 PolarHBondContact O-N 2.92Å; D211-K214 VanDerWaalsContact OD2-CE 3.25Å; D211-K214 WeakPolarHBondContact OD2-CE 3.33Å; D211-K214 IonicContact OD2-NZ 3.79Å; D211-K214 PolarHBondContact OD2-NZ 3.39Å; K214-K217 PolarHBondContact O-N 3.25Å; K214-A218 WeakPolarHBondContact O-CB 3.32Å; K214-A218 PolarHBondContact O-N 2.99Å
215A83.8Confident75Confident13 Ų1372.1 Ų72.111%0.10739%0.385CS..Hα-helixtrans-63.1-44175.500000111.8L53 D211 M212 A218 E219L53-A215 HydrophobicContact CD1-CB 4.24Å; L53-A215 HydrophobicContact CD2-CB 4.3Å; D211-A215 PolarHBondContact O-N 3.34Å; M212-A215 WeakPolarHBondContact O-CB 3.06Å; M212-A215 PolarHBondContact O-N 2.99Å; A215-A218 PolarHBondContact O-N 3.06Å; A215-E219 WeakPolarHBondContact O-CB 3.47Å; A215-E219 PolarHBondContact O-N 2.91Å
216F87.3Confident76.8Confident0 Ų068.5 Ų68.50%036%0.363CS..Hα-helixtrans-62.4-43.7174.8-70-18.7000112.6D49 L53 F85 F86 Q89 R91 M212 E219 W220D49-F216 HydrophobicContact CB-CE1 4.24Å; D49-F216 HydrophobicContact CB-CZ 3.74Å; D49-F216 VanDerWaalsContact CG-CZ 3.47Å; L53-F216 HydrophobicContact CD1-CE1 4.37Å; L53-F216 HydrophobicContact CD2-CD1 3.67Å; L53-F216 HydrophobicContact CD2-CE1 3.96Å; L53-F216 HydrophobicContact CG-CD1 4.18Å; L53-F216 HydrophobicContact CG-CE1 3.93Å; F85-F216 HydrophobicContact CE1-CE1 4.42Å; F85-F216 HydrophobicContact CE1-CZ 4.11Å; F86-F216 HydrophobicContact CB-CB 4.12Å; F86-F216 HydrophobicContact CD1-CB 3.97Å; F86-F216 AromaticContact CD1-CD1 3.44Å; F86-F216 HydrophobicContact CD1-CD1 3.44Å; F86-F216 VanDerWaalsContact CD1-CD1 3.44Å; F86-F216 HydrophobicContact CD1-CE1 4.04Å; F86-F216 AromaticContact CD1-CG 3.79Å; F86-F216 HydrophobicContact CD1-CG 3.79Å; F86-F216 AromaticContact CE1-CD1 3.69Å; F86-F216 HydrophobicContact CE1-CD1 3.69Å; F86-F216 HydrophobicContact CE1-CE1 4.03Å; F86-F216 HydrophobicContact CE1-CG 4.48Å; F86-F216 HydrophobicContact CG-CB 4.35Å; Q89-F216 HydrophobicContact CB-CE2 4.15Å; R91-F216 HydrophobicContact CG-CE2 3.76Å; M212-F216 HydrophobicContact CG-CE1 4.08Å; M212-F216 HydrophobicContact CG-CE2 4Å; M212-F216 HydrophobicContact CG-CZ 3.75Å; M212-F216 WeakPolarHBondContact O-CB 3.35Å; M212-F216 VanDerWaalsContact O-CG 3.26Å; M212-F216 WeakPolarHBondContact O-CG 3.45Å; M212-F216 PolarHBondContact O-N 2.93Å; F216-E219 PolarHBondContact O-N 3.02Å; F216-W220 VanDerWaalsContact O-CB 3.28Å; F216-W220 WeakPolarHBondContact O-CB 3.48Å; F216-W220 PolarHBondContact O-N 3.36Å
217K86.2Confident78.7Confident132 Ų13270.7 Ų70.757%0.57437%0.37SS*.Hα-helixtrans-61.4-46.8175.8-175.8178.9173.3-175.40111.6Q213 K214 E219 W220 E221Q213-K217 WeakPolarHBondContact O-CB 3.37Å; Q213-K217 PolarHBondContact O-N 3.38Å; K214-K217 PolarHBondContact O-N 3.25Å; K217-E219 PolarHBondContact O-N 3.45Å; K217-W220 PolarHBondContact O-N 3.43Å; K217-E221 WeakPolarHBondContact CE-OE1 3.48Å; K217-E221 IonicContact NZ-OE1 3.98Å; K217-E221 WeakPolarHBondContact O-CG 3.37Å; K217-E221 PolarHBondContact O-N 2.85Å
218A87.4Confident80.6Confident56 Ų5664.1 Ų64.146%0.46334%0.339SS..Hα-helixtrans-63.6-40.5179.100000112.3K214 A215 A222K214-A218 WeakPolarHBondContact O-CB 3.32Å; K214-A218 PolarHBondContact O-N 2.99Å; A215-A218 PolarHBondContact O-N 3.06Å; A218-A222 VanDerWaalsContact O-CB 3.27Å; A218-A222 WeakPolarHBondContact O-CB 3.46Å; A218-A222 PolarHBondContact O-N 3.36Å
219E86.9Confident82.2Confident19 Ų1967.5 Ų67.59%0.08934%0.341CS..Hα-helixtrans-68.9-37.2175.4-79.8-64.8154.600112.5L53 S56 R60 F86 A215 F216 K217 A222 L223L53-E219 HydrophobicContact CD2-CB 4.24Å; L53-E219 HydrophobicContact CD2-CG 3.6Å; S56-E219 PolarHBondContact OG-OE2 3.4Å; S56-E219 VanDerWaalsContact OG-OE2 3.07Å; R60-E219 IonicContact CZ-OE1 3.64Å; R60-E219 IonicContact CZ-OE2 3.32Å; R60-E219 IonicContact NE-OE1 3.91Å; R60-E219 IonicContact NE-OE2 2.81Å; R60-E219 PolarHBondContact NE-OE2 3.04Å; R60-E219 VanDerWaalsContact NH2-CD 3.31Å; R60-E219 IonicContact NH2-OE1 2.72Å; R60-E219 PolarHBondContact NH2-OE1 2.85Å; R60-E219 IonicContact NH2-OE2 3.14Å; R60-E219 PolarHBondContact NH2-OE2 2.85Å; R60-E219 VanDerWaalsContact NH2-OE2 3.14Å; F86-E219 HydrophobicContact CD2-CB 4.45Å; F86-E219 HydrophobicContact CE2-CB 3.97Å; F86-E219 HydrophobicContact CZ-CB 4.1Å; A215-E219 WeakPolarHBondContact O-CB 3.47Å; A215-E219 PolarHBondContact O-N 2.91Å; F216-E219 PolarHBondContact O-N 3.02Å; K217-E219 PolarHBondContact O-N 3.45Å; E219-A222 PolarHBondContact O-N 3.38Å; E219-L223 VanDerWaalsContact O-CB 3.27Å; E219-L223 WeakPolarHBondContact O-CB 3.36Å; E219-L223 PolarHBondContact O-N 3.34Å
220W88Confident83.8Confident66 Ų6669.7 Ų69.725%0.2534%0.342CS..Hα-helixtrans-60.3-48.8174.9-17592.4000111N79 F86 F216 K217 L223 E224N79-W220 PolarHBondContact ND2-O 2.83Å; N79-W220 PolarHBondContact O-NE1 3.02Å; N79-W220 WeakPolarHBondContact OD1-CA 3.49Å; N79-W220 VanDerWaalsContact OD1-CD1 3.31Å; N79-W220 PolarHBondContact OD1-O 3.15Å; F86-W220 HydrophobicContact CB-CB 4.12Å; F86-W220 HydrophobicContact CD2-CB 4.27Å; F216-W220 VanDerWaalsContact O-CB 3.28Å; F216-W220 WeakPolarHBondContact O-CB 3.48Å; F216-W220 PolarHBondContact O-N 3.36Å; K217-W220 PolarHBondContact O-N 3.43Å; W220-L223 PolarHBondContact O-N 3.47Å; W220-E224 WeakPolarHBondContact O-CB 3.41Å; W220-E224 PolarHBondContact O-N 3.33Å
221E88.5Confident84.9Confident92 Ų9264.1 Ų64.143%0.4332%0.321SS..Hα-helixtrans-62.9-44.2176.7-70.1173.9-178.900111.5K217 L223 E224 I225K217-E221 WeakPolarHBondContact CE-OE1 3.48Å; K217-E221 IonicContact NZ-OE1 3.98Å; K217-E221 WeakPolarHBondContact O-CG 3.37Å; K217-E221 PolarHBondContact O-N 2.85Å; E221-L223 PolarHBondContact O-N 3.04Å; E221-E224 PolarHBondContact O-N 3.17Å; E221-I225 WeakPolarHBondContact O-CD1 3.23Å; E221-I225 WeakPolarHBondContact O-CG1 3.49Å; E221-I225 PolarHBondContact O-N 2.98Å
222A88.6Confident85.5Confident29 Ų2967.1 Ų67.124%0.2434%0.337CS..Hα-helixtrans-63.1-40.9178.200000112.3A218 E219 E224 V226A218-A222 VanDerWaalsContact O-CB 3.27Å; A218-A222 WeakPolarHBondContact O-CB 3.46Å; A218-A222 PolarHBondContact O-N 3.36Å; E219-A222 PolarHBondContact O-N 3.38Å; A222-E224 VanDerWaalsContact C-N 3.3Å; A222-V226 WeakPolarHBondContact O-CG2 3.15Å
223L86.5Confident85.8Confident0 Ų067.6 Ų67.60%035%0.346CS..Hα-helixtrans-73.3-26.2179.2-171.564.3000111.8L59 R60 K75 F78 E219 W220 E221 I225 V226L59-L223 HydrophobicContact CD2-CD1 3.98Å; L59-L223 HydrophobicContact CD2-CD2 4.3Å; L59-L223 HydrophobicContact CG-CD1 4.26Å; R60-L223 HydrophobicContact CG-CB 4.43Å; R60-L223 HydrophobicContact CG-CD1 3.56Å; K75-L223 WeakPolarHBondContact CE-O 3.47Å; K75-L223 HydrophobicContact CG-CD2 4.36Å; K75-L223 HydrophobicContact CG-CG 4.16Å; K75-L223 PolarHBondContact NZ-O 3.28Å; F78-L223 HydrophobicContact CB-CD2 3.63Å; F78-L223 HydrophobicContact CD2-CD2 4.22Å; F78-L223 HydrophobicContact CG-CD2 4.28Å; E219-L223 VanDerWaalsContact O-CB 3.27Å; E219-L223 WeakPolarHBondContact O-CB 3.36Å; E219-L223 PolarHBondContact O-N 3.34Å; W220-L223 PolarHBondContact O-N 3.47Å; E221-L223 PolarHBondContact O-N 3.04Å; L223-I225 VanDerWaalsContact C-N 3.35Å; L223-V226 PolarHBondContact O-N 2.84Å
224E86.9Confident85.9Confident84 Ų8470.9 Ų70.939%0.39337%0.365SS..Hα-helixtrans-66.4-41.4178.3-166.765.5-179.500110.9K75 N79 W220 E221 A222 V226K75-E224 PolarHBondContact NZ-O 3.26Å; N79-E224 VanDerWaalsContact ND2-CA 3.33Å; N79-E224 WeakPolarHBondContact ND2-CA 3.45Å; N79-E224 PolarHBondContact ND2-N 3.37Å; N79-E224 PolarHBondContact ND2-OE2 2.83Å; W220-E224 WeakPolarHBondContact O-CB 3.41Å; W220-E224 PolarHBondContact O-N 3.33Å; E221-E224 PolarHBondContact O-N 3.17Å; A222-E224 VanDerWaalsContact C-N 3.3Å; E224-V226 VanDerWaalsContact C-N 3.29Å; E224-V226 PolarHBondContact O-N 2.94Å
225I87Confident86Confident140 Ų14067.6 Ų67.672%0.71836%0.357SS*.Hα-helixtrans-69.7-24.7179.6-59.9162.3000112.2E221 L223 D227E221-I225 WeakPolarHBondContact O-CD1 3.23Å; E221-I225 WeakPolarHBondContact O-CG1 3.49Å; E221-I225 PolarHBondContact O-N 2.98Å; L223-I225 VanDerWaalsContact C-N 3.35Å; I225-D227 PolarHBondContact O-N 3.41Å
226V86.2Confident86.1Confident40 Ų4074.1 Ų74.124%0.24239%0.386CS..PPolyproline II helixtrans-77.7118.5-177.1177.70000111R60 F71 K75 A222 L223 E224R60-V226 HydrophobicContact CB-CG2 4.29Å; R60-V226 HydrophobicContact CG-CG2 4.12Å; F71-V226 HydrophobicContact CE2-CG1 4.47Å; F71-V226 HydrophobicContact CZ-CG1 3.96Å; K75-V226 PolarHBondContact NZ-O 2.89Å; A222-V226 WeakPolarHBondContact O-CG2 3.15Å; L223-V226 PolarHBondContact O-N 2.84Å; E224-V226 VanDerWaalsContact C-N 3.29Å; E224-V226 PolarHBondContact O-N 2.94Å
227D86Confident86Confident129 Ų12977.5 Ų77.569%0.6941%0.406SS*.PPolyproline II helixtrans-97.3150.3169.6-82.3-31.4000112.6I225 Q229I225-D227 PolarHBondContact O-N 3.41Å; D227-Q229 PolarHBondContact O-N 3.23Å
228H88.3Confident85.9Confident43 Ų4377.6 Ų77.620%0.19940%0.403CS..PPolyproline II helixtrans-76.2116.2-177.6-174.458.9000111.6G63 L66 A68 F71 W230G63-H228 PolarHBondContact O-CE1 2.98Å; G63-H228 PolarHBondContact O-ND1 3.33Å; L66-H228 PolarHBondContact O-CE1 3.5Å; L66-H228 PolarHBondContact O-NE2 3.35Å; A68-H228 VanDerWaalsContact CA-CD2 3.47Å; A68-H228 WeakPolarHBondContact CA-CD2 3.38Å; F71-H228 HydrophobicContact CD1-CB 3.54Å; F71-H228 AromaticContact CD1-CG 3.93Å; F71-H228 AromaticContact CD1-ND1 3.91Å; F71-H228 AromaticContact CD2-ND1 3.84Å; F71-H228 HydrophobicContact CE1-CB 3.85Å; F71-H228 HydrophobicContact CG-CB 4.06Å; F71-H228 AromaticContact CG-CG 3.94Å; F71-H228 AromaticContact CG-ND1 3.47Å; F71-H228 WeakPolarHBondContact CG-ND1 3.47Å; H228-W230 AromaticContact CE1-CE3 3.98Å; H228-W230 AromaticContact NE2-CE3 3.77Å
229Q84.6Confident85.9Confident155 Ų15580.1 Ų80.172%0.72441%0.408SS*.  trans-112.7113.1170-64.9-177.7-2.600109.4R64 D227 A231R64-Q229 VanDerWaalsContact CA-O 3.23Å; R64-Q229 WeakPolarHBondContact CA-O 3.36Å; R64-Q229 WeakPolarHBondContact CB-O 3.13Å; D227-Q229 PolarHBondContact O-N 3.23Å; Q229-A231 PolarHBondContact O-N 3.05Å
230W86.9Confident86Confident95 Ų9584.6 Ų84.636%0.3643%0.432SS..  trans-74.3111.6-177.2-176.2-127.8000110.6R64 F65 L66 P67 H228 L232 A233R64-W230 WeakPolarHBondContact O-CZ3 3.47Å; F65-W230 WeakPolarHBondContact O-CZ3 3.09Å; L66-W230 VanDerWaalsContact O-CE3 3.22Å; L66-W230 WeakPolarHBondContact O-CZ3 3.25Å; P67-W230 HydrophobicContact CG-CH2 4.24Å; H228-W230 AromaticContact CE1-CE3 3.98Å; H228-W230 AromaticContact NE2-CE3 3.77Å; W230-L232 HydrophobicContact CH2-CD1 3.94Å; W230-L232 HydrophobicContact CZ2-CB 3.89Å; W230-L232 HydrophobicContact CZ2-CD1 3.84Å; W230-L232 HydrophobicContact CZ2-CG 4.34Å; W230-L232 HydrophobicContact CZ3-CD1 4.45Å; W230-L232 PolarHBondContact O-N 3.31Å; W230-A233 HydrophobicContact CB-CB 4.25Å; W230-A233 HydrophobicContact CG-CB 4.49Å; W230-A233 VanDerWaalsContact O-CB 3.25Å; W230-A233 WeakPolarHBondContact O-CB 3.08Å; W230-A233 PolarHBondContact O-N 3.22Å
231A84.5Confident86Confident30 Ų3086.8 Ų86.825%0.24845%0.449CS..THydrogen-bonded Turntrans-66-24.2-175.900000113.2R64 F65 Q229 R238R64-A231 HydrophobicContact CB-CB 3.99Å; R64-A231 HydrophobicContact CG-CB 3.97Å; R64-A231 WeakPolarHBondContact O-CB 3.35Å; R64-A231 PolarHBondContact O-N 3.39Å; F65-A231 HydrophobicContact CD1-CB 4.1Å; F65-A231 HydrophobicContact CE1-CB 4.09Å; Q229-A231 PolarHBondContact O-N 3.05Å; A231-R238 PolarHBondContact O-NH2 2.7Å
232L82.8Confident85.8Confident82 Ų8293 Ų9343%0.42947%0.468SS..THydrogen-bonded Turntrans-94.57.2176.6-67.788.9000112.9F65 W230 D234 C235F65-L232 HydrophobicContact CD1-CD1 4.49Å; W230-L232 HydrophobicContact CH2-CD1 3.94Å; W230-L232 HydrophobicContact CZ2-CB 3.89Å; W230-L232 HydrophobicContact CZ2-CD1 3.84Å; W230-L232 HydrophobicContact CZ2-CG 4.34Å; W230-L232 HydrophobicContact CZ3-CD1 4.45Å; W230-L232 PolarHBondContact O-N 3.31Å; L232-D234 PolarHBondContact O-N 3.31Å; L232-C235 HydrophobicContact CB-CB 4.42Å; L232-C235 WeakPolarHBondContact O-CB 3.41Å; L232-C235 PolarHBondContact O-N 3.39Å; L232-C235 PolarHBondContact O-SG 3.22Å; L232-C235 VanDerWaalsContact O-SG 3.39Å
233A82.5Confident85.5Confident43 Ų4398 Ų9836%0.35549%0.491SS..THydrogen-bonded Turntrans-56.3133.2169.200000108.8W230 C235 R238W230-A233 HydrophobicContact CB-CB 4.25Å; W230-A233 HydrophobicContact CG-CB 4.49Å; W230-A233 VanDerWaalsContact O-CB 3.25Å; W230-A233 WeakPolarHBondContact O-CB 3.08Å; W230-A233 PolarHBondContact O-N 3.22Å; A233-C235 PolarHBondContact O-N 2.91Å; A233-R238 PolarHBondContact O-NE 3.45Å; A233-R238 PolarHBondContact O-NH2 3.17Å
234D82.9Confident84.6Confident118 Ų118104.7 Ų104.763%0.63154%0.537SS*.THydrogen-bonded Turntrans50.432.9179-49.6-49.5000113.4L232 E236 T237 R238L232-D234 PolarHBondContact O-N 3.31Å; D234-E236 PolarHBondContact O-N 3.47Å; D234-T237 PolarHBondContact O-N 3.39Å; D234-R238 WeakPolarHBondContact O-CB 3.49Å; D234-R238 WeakPolarHBondContact O-CG 3.49Å; D234-R238 PolarHBondContact O-N 2.99Å
235C83.4Confident84.5Confident54 Ų54105.8 Ų105.837%0.36554%0.544SS..Hα-helixtrans-60.6-38.4178.9610000111.5L232 A233 R238 L239L232-C235 HydrophobicContact CB-CB 4.42Å; L232-C235 WeakPolarHBondContact O-CB 3.41Å; L232-C235 PolarHBondContact O-N 3.39Å; L232-C235 PolarHBondContact O-SG 3.22Å; L232-C235 VanDerWaalsContact O-SG 3.39Å; A233-C235 PolarHBondContact O-N 2.91Å; C235-R238 PolarHBondContact O-N 3.44Å; C235-L239 VanDerWaalsContact O-CB 3.32Å; C235-L239 WeakPolarHBondContact O-CB 3.32Å; C235-L239 PolarHBondContact O-N 2.9Å
236E85.6Confident84.4Confident150 Ų150103.9 Ų103.970%0.70154%0.535SS*.Hα-helixtrans-61.3-50.3174.5-64174.4-17800110.8D234 R238 L239 L240D234-E236 PolarHBondContact O-N 3.47Å; E236-R238 PolarHBondContact O-N 3.28Å; E236-L239 PolarHBondContact O-N 3.41Å; E236-L239 VanDerWaalsContact O-N 3.17Å; E236-L240 VanDerWaalsContact O-CG 3.32Å; E236-L240 WeakPolarHBondContact O-CG 3.32Å; E236-L240 PolarHBondContact O-N 3.11Å
237T86.6Confident84.3Confident71 Ų71107.5 Ų107.544%0.43655%0.552SS.*Hα-helixtrans-61.5-41.4177.8-43.80000112.2D234 L239 L240 N241D234-T237 PolarHBondContact O-N 3.39Å; T237-L239 VanDerWaalsContact C-N 3.34Å; T237-L240 PolarHBondContact O-N 3.49Å; T237-N241 WeakPolarHBondContact O-CB 3.46Å; T237-N241 VanDerWaalsContact O-CG 3.23Å; T237-N241 PolarHBondContact O-N 3.34Å
238R83.4Confident84.2Confident134 Ų134106.2 Ų106.251%0.50654%0.543SS..Hα-helixtrans-68-32.7176.3-76.1-175.9-66.6159.5-0.7113A231 A233 D234 C235 E236 R242A231-R238 PolarHBondContact O-NH2 2.7Å; A233-R238 PolarHBondContact O-NE 3.45Å; A233-R238 PolarHBondContact O-NH2 3.17Å; D234-R238 WeakPolarHBondContact O-CB 3.49Å; D234-R238 WeakPolarHBondContact O-CG 3.49Å; D234-R238 PolarHBondContact O-N 2.99Å; C235-R238 PolarHBondContact O-N 3.44Å; E236-R238 PolarHBondContact O-N 3.28Å; R238-R242 PolarHBondContact O-N 2.87Å
239L88.8Confident83.9Confident108 Ų108110.2 Ų110.257%0.56557%0.565SS**Hα-helixtrans-71-45.3175.1-175.867.3000110.5C235 E236 T237 N241 R242 L243C235-L239 VanDerWaalsContact O-CB 3.32Å; C235-L239 WeakPolarHBondContact O-CB 3.32Å; C235-L239 PolarHBondContact O-N 2.9Å; E236-L239 PolarHBondContact O-N 3.41Å; E236-L239 VanDerWaalsContact O-N 3.17Å; T237-L239 VanDerWaalsContact C-N 3.34Å; L239-N241 PolarHBondContact O-N 3.17Å; L239-R242 PolarHBondContact O-N 3.01Å; L239-R242 VanDerWaalsContact O-N 3.11Å; L239-L243 HydrophobicContact CD1-CD1 4.5Å; L239-L243 HydrophobicContact CG-CD1 4.1Å; L239-L243 WeakPolarHBondContact O-CG 3.39Å; L239-L243 PolarHBondContact O-N 3.01Å
240L88.6Confident83.9Confident113 Ų113107.2 Ų107.259%0.59255%0.554SS**Hα-helixtrans-59.6-46.2176.4-70.8171.7000111.4E236 T237 R242 L243 S244E236-L240 VanDerWaalsContact O-CG 3.32Å; E236-L240 WeakPolarHBondContact O-CG 3.32Å; E236-L240 PolarHBondContact O-N 3.11Å; T237-L240 PolarHBondContact O-N 3.49Å; L240-R242 PolarHBondContact O-N 2.89Å; L240-L243 PolarHBondContact O-N 3.43Å; L240-S244 PolarHBondContact O-N 3.17Å; L240-S244 PolarHBondContact O-OG 2.95Å
241N87.6Confident83.7Confident112 Ų112108.1 Ų108.160%0.59957%0.568SS**Hα-helixtrans-65.9-15.8177-71.9-10.2000114.2T237 L239T237-N241 WeakPolarHBondContact O-CB 3.46Å; T237-N241 VanDerWaalsContact O-CG 3.23Å; T237-N241 PolarHBondContact O-N 3.34Å; L239-N241 PolarHBondContact O-N 3.17Å
242R83.8Confident83.6Confident223 Ų223114.1 Ų114.184%0.84259%0.593SS**Hα-helixtrans-90-20172.2-87.8-171.2176.1-174.7-0.6113.1R238 L239 L240R238-R242 PolarHBondContact O-N 2.87Å; L239-R242 PolarHBondContact O-N 3.01Å; L239-R242 VanDerWaalsContact O-N 3.11Å; L240-R242 PolarHBondContact O-N 2.89Å
243L82.1Confident83.7Confident135 Ų135116.8 Ų116.871%0.70761%0.606SS**Hα-helixtrans-93.6-25-179.5-72167.6000112.3L239 L240L239-L243 HydrophobicContact CD1-CD1 4.5Å; L239-L243 HydrophobicContact CG-CD1 4.1Å; L239-L243 WeakPolarHBondContact O-CG 3.39Å; L239-L243 PolarHBondContact O-N 3.01Å; L240-L243 PolarHBondContact O-N 3.43Å
244S68.8Low83.8Confident140 Ų140123.5 Ų123.598%0.97963%0.629SS**  trans-78.20167.764.60000111.9L240L240-S244 PolarHBondContact O-N 3.17Å; L240-S244 PolarHBondContact O-OG 2.95Å

Retrieved 244 of 244 residues in 383.2 ms (Link to these results)

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