A0A077ZFP9_TRITR Loading...

Protein ST7 homolog

AlphaFold DB , UniProt , Accession A0A077ZFP9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 465 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
1M64.2Low80.6Confident211 Ų211128.7 Ų128.7100%1.03962%0.617SS**  0-46.70-153162.57300113.2S3 W4M1-S3 PolarHBondContact O-N 3.44Å; M1-W4 PolarHBondContact O-N 3.41Å
2F78.8Confident80.8Confident181 Ų181124.7 Ų124.779%0.79461%0.612SS**Hα-helixtrans-61.8-32.3-178.1-82.5-83.8000116.5W4 L5 R6F2-W4 PolarHBondContact O-N 3.35Å; F2-L5 PolarHBondContact O-N 3.36Å; F2-R6 PolarHBondContact O-N 3.37Å; F2-R6 VanDerWaalsContact O-N 3.11Å
3S79.8Confident81Confident85 Ų85127.4 Ų127.459%0.59461%0.611SS**Hα-helixtrans-61.9-43.8179.8169.90000113M1 L5 R6 N7M1-S3 PolarHBondContact O-N 3.44Å; S3-L5 PolarHBondContact O-N 3.43Å; S3-R6 PolarHBondContact O-N 3.34Å; S3-N7 PolarHBondContact O-N 3.46Å
4W82.9Confident81.4Confident195 Ų195122.9 Ų122.974%0.73960%0.596SS**Hα-helixtrans-65.2-41.6-179.5-177.383.3000111.9M1 F2 N7 A8M1-W4 PolarHBondContact O-N 3.41Å; F2-W4 PolarHBondContact O-N 3.35Å; W4-N7 PolarHBondContact O-N 3.37Å; W4-A8 WeakPolarHBondContact O-CB 3.24Å; W4-A8 PolarHBondContact O-N 3.35Å
5L83.3Confident81.6Confident96 Ų96123.3 Ų123.350%0.50359%0.59SS.*Hα-helixtrans-64.7-42.7177.9-154.890000111.8F2 S3 N7 A8 I9F2-L5 PolarHBondContact O-N 3.36Å; S3-L5 PolarHBondContact O-N 3.43Å; L5-N7 VanDerWaalsContact C-N 3.34Å; L5-N7 PolarHBondContact O-N 3.35Å; L5-A8 PolarHBondContact O-N 3.07Å; L5-I9 HydrophobicContact CD2-CD1 4.21Å; L5-I9 HydrophobicContact CG-CD1 4.26Å; L5-I9 WeakPolarHBondContact O-CG1 3.47Å; L5-I9 PolarHBondContact O-N 3.45Å
6R83.5Confident82Confident198 Ų198122.3 Ų122.375%0.74759%0.588SS**Hα-helixtrans-62.3-42.2176.3-172.5-179.6179-153.2-0.2111.3F2 S3 S10F2-R6 PolarHBondContact O-N 3.37Å; F2-R6 VanDerWaalsContact O-N 3.11Å; S3-R6 PolarHBondContact O-N 3.34Å; R6-S10 WeakPolarHBondContact O-CB 3.28Å; R6-S10 PolarHBondContact O-N 2.94Å
7N82.7Confident82.2Confident88 Ų88122.1 Ų122.147%0.47158%0.58SS.*Hα-helixtrans-65.2-43.2175.4-73.4-7.9000111.4S3 W4 L5 I9 S10 W11S3-N7 PolarHBondContact O-N 3.46Å; W4-N7 PolarHBondContact O-N 3.37Å; L5-N7 VanDerWaalsContact C-N 3.34Å; L5-N7 PolarHBondContact O-N 3.35Å; N7-I9 PolarHBondContact O-N 3.19Å; N7-S10 PolarHBondContact O-N 3.1Å; N7-W11 WeakPolarHBondContact O-CB 3.39Å; N7-W11 VanDerWaalsContact O-CD1 3.26Å; N7-W11 PolarHBondContact O-N 2.9Å
8A83.2Confident82.6Confident36 Ų36120.9 Ų120.930%0.29858%0.577SS.*Hα-helixtrans-61.6-44.3177.700000112.1W4 L5 W11 S12W4-A8 WeakPolarHBondContact O-CB 3.24Å; W4-A8 PolarHBondContact O-N 3.35Å; L5-A8 PolarHBondContact O-N 3.07Å; A8-W11 PolarHBondContact O-N 3.45Å; A8-S12 WeakPolarHBondContact O-CB 3.26Å; A8-S12 PolarHBondContact O-N 3.38Å; A8-S12 PolarHBondContact O-OG 2.88Å; A8-S12 VanDerWaalsContact O-OG 3.06Å
9I85.2Confident83Confident107 Ų107120.1 Ų120.155%0.54957%0.574SS.*Hα-helixtrans-63.6-44.4175.2-68160.9000110.7L5 N7 W11 S12 W13L5-I9 HydrophobicContact CD2-CD1 4.21Å; L5-I9 HydrophobicContact CG-CD1 4.26Å; L5-I9 WeakPolarHBondContact O-CG1 3.47Å; L5-I9 PolarHBondContact O-N 3.45Å; N7-I9 PolarHBondContact O-N 3.19Å; I9-W11 PolarHBondContact O-N 2.93Å; I9-S12 PolarHBondContact O-N 3.39Å; I9-W13 WeakPolarHBondContact O-CB 3.38Å; I9-W13 PolarHBondContact O-N 2.91Å
10S82Confident83.3Confident69 Ų69121.3 Ų121.348%0.48357%0.573SS.*Hα-helixtrans-60.9-43.2177.5-171.70000112.1R6 N7 W13 T14R6-S10 WeakPolarHBondContact O-CB 3.28Å; R6-S10 PolarHBondContact O-N 2.94Å; N7-S10 PolarHBondContact O-N 3.1Å; S10-W13 PolarHBondContact O-N 3.13Å; S10-T14 WeakPolarHBondContact O-CG2 3.24Å; S10-T14 PolarHBondContact O-N 3.33Å; S10-T14 PolarHBondContact O-OG1 3.41Å
11W81.6Confident83.5Confident150 Ų150120.7 Ų120.757%0.56857%0.569SS**Hα-helixtrans-66.6-45.8177.7-90.192.5000111.5N7 A8 I9 W13 T14 Y15N7-W11 WeakPolarHBondContact O-CB 3.39Å; N7-W11 VanDerWaalsContact O-CD1 3.26Å; N7-W11 PolarHBondContact O-N 2.9Å; A8-W11 PolarHBondContact O-N 3.45Å; I9-W11 PolarHBondContact O-N 2.93Å; W11-W13 VanDerWaalsContact C-N 3.25Å; W11-W13 PolarHBondContact O-N 3.27Å; W11-T14 WeakPolarHBondContact CA-OG1 3.45Å; W11-T14 PolarHBondContact O-N 2.89Å; W11-T14 VanDerWaalsContact O-N 3.14Å; W11-T14 PolarHBondContact O-OG1 3.3Å; W11-Y15 HydrophobicContact CB-CE2 4.47Å; W11-Y15 HydrophobicContact CD2-CE2 4.44Å; W11-Y15 HydrophobicContact CE3-CD2 4.37Å; W11-Y15 AromaticContact CE3-CE2 3.43Å; W11-Y15 HydrophobicContact CE3-CE2 3.43Å; W11-Y15 VanDerWaalsContact CE3-CE2 3.43Å; W11-Y15 AromaticContact CE3-CZ 3.61Å; W11-Y15 HydrophobicContact CZ3-CE2 4.05Å; W11-Y15 AromaticContact CZ3-CZ 3.72Å; W11-Y15 WeakPolarHBondContact CZ3-OH 3.47Å; W11-Y15 WeakPolarHBondContact O-CD2 3.45Å; W11-Y15 PolarHBondContact O-N 2.91Å
12S82.8Confident84.7Confident80 Ų80113.9 Ų113.956%0.55954%0.542SS*.Hα-helixtrans-57.4-40.9174.1-66.80000111.8A8 I9 Y15 L16A8-S12 WeakPolarHBondContact O-CB 3.26Å; A8-S12 PolarHBondContact O-N 3.38Å; A8-S12 PolarHBondContact O-OG 2.88Å; A8-S12 VanDerWaalsContact O-OG 3.06Å; I9-S12 PolarHBondContact O-N 3.39Å; S12-Y15 PolarHBondContact O-N 3Å; S12-L16 WeakPolarHBondContact O-CB 3.29Å; S12-L16 PolarHBondContact O-N 2.87Å
13W83.4Confident85.1Confident160 Ų160110.8 Ų110.861%0.60653%0.533SS*.Hα-helixtrans-64.2-42.1176.7-162.4-106.8000111.9I9 S10 W11 Y15 L16 W17I9-W13 WeakPolarHBondContact O-CB 3.38Å; I9-W13 PolarHBondContact O-N 2.91Å; S10-W13 PolarHBondContact O-N 3.13Å; W11-W13 VanDerWaalsContact C-N 3.25Å; W11-W13 PolarHBondContact O-N 3.27Å; W13-Y15 PolarHBondContact O-N 3.03Å; W13-L16 HydrophobicContact CZ3-CD2 4.5Å; W13-L16 PolarHBondContact O-N 3.05Å; W13-W17 AromaticContact CD1-CD1 3.59Å; W13-W17 AromaticContact CD1-NE1 3.66Å; W13-W17 AromaticContact CE2-CD1 3.99Å; W13-W17 AromaticContact CE2-NE1 3.52Å; W13-W17 AromaticContact CZ2-NE1 3.95Å; W13-W17 AromaticContact NE1-CD1 3.48Å; W13-W17 AromaticContact NE1-NE1 3.04Å; W13-W17 VanDerWaalsContact O-CD1 3.29Å; W13-W17 PolarHBondContact O-N 3.39Å; W13-W17 VanDerWaalsContact O-N 3.09Å
14T85.8Confident85.4Confident64 Ų64109.1 Ų109.139%0.39352%0.519SS..Hα-helixtrans-62.8-41.3176.350.60000113.1S10 W11 W17 I18S10-T14 WeakPolarHBondContact O-CG2 3.24Å; S10-T14 PolarHBondContact O-N 3.33Å; S10-T14 PolarHBondContact O-OG1 3.41Å; W11-T14 WeakPolarHBondContact CA-OG1 3.45Å; W11-T14 PolarHBondContact O-N 2.89Å; W11-T14 VanDerWaalsContact O-N 3.14Å; W11-T14 PolarHBondContact O-OG1 3.3Å; T14-W17 PolarHBondContact O-N 2.89Å; T14-I18 WeakPolarHBondContact O-CG1 3.38Å; T14-I18 PolarHBondContact O-N 2.89Å; T14-I18 VanDerWaalsContact O-N 3.11Å
15Y85.1Confident85.5Confident130 Ų130105.4 Ų105.451%0.5151%0.513SS..Hα-helixtrans-67.2-38.7176.9-70.4-64.3000112.3W11 S12 W13 W17 I18 I19W11-Y15 HydrophobicContact CB-CE2 4.47Å; W11-Y15 HydrophobicContact CD2-CE2 4.44Å; W11-Y15 HydrophobicContact CE3-CD2 4.37Å; W11-Y15 AromaticContact CE3-CE2 3.43Å; W11-Y15 HydrophobicContact CE3-CE2 3.43Å; W11-Y15 VanDerWaalsContact CE3-CE2 3.43Å; W11-Y15 AromaticContact CE3-CZ 3.61Å; W11-Y15 HydrophobicContact CZ3-CE2 4.05Å; W11-Y15 AromaticContact CZ3-CZ 3.72Å; W11-Y15 WeakPolarHBondContact CZ3-OH 3.47Å; W11-Y15 WeakPolarHBondContact O-CD2 3.45Å; W11-Y15 PolarHBondContact O-N 2.91Å; S12-Y15 PolarHBondContact O-N 3Å; W13-Y15 PolarHBondContact O-N 3.03Å; Y15-W17 VanDerWaalsContact C-N 3.3Å; Y15-W17 PolarHBondContact O-N 3.32Å; Y15-I18 PolarHBondContact O-N 3.46Å; Y15-I19 WeakPolarHBondContact O-CG1 3.42Å; Y15-I19 PolarHBondContact O-N 3.45Å
16L87.5Confident85.5Confident106 Ų106103 Ų10356%0.55551%0.507SS*.Hα-helixtrans-60.4-41.8176.5-156.692.3000111.3S12 W13 I19 W20S12-L16 WeakPolarHBondContact O-CB 3.29Å; S12-L16 PolarHBondContact O-N 2.87Å; W13-L16 HydrophobicContact CZ3-CD2 4.5Å; W13-L16 PolarHBondContact O-N 3.05Å; L16-I19 PolarHBondContact O-N 3Å; L16-W20 WeakPolarHBondContact O-CB 3.4Å; L16-W20 PolarHBondContact O-N 3.26Å
17W86Confident85.3Confident119 Ų11998.5 Ų98.545%0.45150%0.497SS..Hα-helixtrans-64-42.5175.6-90.493.4000112.8W13 T14 Y15 W20 F21W13-W17 AromaticContact CD1-CD1 3.59Å; W13-W17 AromaticContact CD1-NE1 3.66Å; W13-W17 AromaticContact CE2-CD1 3.99Å; W13-W17 AromaticContact CE2-NE1 3.52Å; W13-W17 AromaticContact CZ2-NE1 3.95Å; W13-W17 AromaticContact NE1-CD1 3.48Å; W13-W17 AromaticContact NE1-NE1 3.04Å; W13-W17 VanDerWaalsContact O-CD1 3.29Å; W13-W17 PolarHBondContact O-N 3.39Å; W13-W17 VanDerWaalsContact O-N 3.09Å; T14-W17 PolarHBondContact O-N 2.89Å; Y15-W17 VanDerWaalsContact C-N 3.3Å; Y15-W17 PolarHBondContact O-N 3.32Å; W17-W20 HydrophobicContact CE3-CE3 4.41Å; W17-W20 HydrophobicContact CZ3-CE3 4.36Å; W17-W20 HydrophobicContact CZ3-CZ3 4.37Å; W17-W20 PolarHBondContact O-N 3.04Å; W17-F21 AromaticContact CE3-CD2 3.85Å; W17-F21 HydrophobicContact CE3-CD2 3.85Å; W17-F21 AromaticContact CE3-CE2 3.36Å; W17-F21 HydrophobicContact CE3-CE2 3.36Å; W17-F21 HydrophobicContact CE3-CZ 4.24Å; W17-F21 HydrophobicContact CZ3-CD2 4.44Å; W17-F21 AromaticContact CZ3-CE2 3.63Å; W17-F21 HydrophobicContact CZ3-CE2 3.63Å; W17-F21 HydrophobicContact CZ3-CZ 4.05Å; W17-F21 WeakPolarHBondContact O-CD2 3.42Å; W17-F21 PolarHBondContact O-N 3.27Å
18I89.5Confident85.1Confident102 Ų10299.5 Ų99.552%0.52350%0.502SS..Hα-helixtrans-63-43.8177.6-67.9167.1000110.9T14 Y15 F21 S22T14-I18 WeakPolarHBondContact O-CG1 3.38Å; T14-I18 PolarHBondContact O-N 2.89Å; T14-I18 VanDerWaalsContact O-N 3.11Å; Y15-I18 PolarHBondContact O-N 3.46Å; I18-F21 PolarHBondContact O-N 3.13Å; I18-S22 WeakPolarHBondContact O-CB 3.39Å; I18-S22 PolarHBondContact O-N 3.47Å; I18-S22 PolarHBondContact O-OG 3.48Å
19I89.2Confident84.9Confident104 Ų104106 Ų10653%0.53352%0.52SS..Hα-helixtrans-63-44.6176.9-69167.9000110.4Y15 L16 S22 L23Y15-I19 WeakPolarHBondContact O-CG1 3.42Å; Y15-I19 PolarHBondContact O-N 3.45Å; L16-I19 PolarHBondContact O-N 3Å; I19-S22 PolarHBondContact O-N 3.38Å; I19-L23 HydrophobicContact CG2-CD1 4.16Å; I19-L23 PolarHBondContact O-N 2.98Å
20W89.3Confident84.6Confident145 Ų145106.2 Ų106.255%0.54952%0.521SS..Hα-helixtrans-62.3-46.9178.7-173.486.9000112.1L16 W17 S22 L23 V24L16-W20 WeakPolarHBondContact O-CB 3.4Å; L16-W20 PolarHBondContact O-N 3.26Å; W17-W20 HydrophobicContact CE3-CE3 4.41Å; W17-W20 HydrophobicContact CZ3-CE3 4.36Å; W17-W20 HydrophobicContact CZ3-CZ3 4.37Å; W17-W20 PolarHBondContact O-N 3.04Å; W20-S22 VanDerWaalsContact C-N 3.32Å; W20-S22 PolarHBondContact O-N 3.47Å; W20-L23 PolarHBondContact O-N 3Å; W20-V24 HydrophobicContact CD2-CG2 4.11Å; W20-V24 HydrophobicContact CE3-CG2 4.17Å; W20-V24 HydrophobicContact CH2-CG2 3.98Å; W20-V24 HydrophobicContact CZ2-CG2 3.91Å; W20-V24 HydrophobicContact CZ3-CG2 4.1Å; W20-V24 WeakPolarHBondContact O-CG2 3.37Å; W20-V24 PolarHBondContact O-N 3.46Å
21F88.8Confident84.4Confident109 Ų109107.9 Ų107.948%0.47852%0.524SS..Hα-helixtrans-60.7-40.2174.7-90.2-68.8000112.5W17 I18 L23 V24 L25W17-F21 AromaticContact CE3-CD2 3.85Å; W17-F21 HydrophobicContact CE3-CD2 3.85Å; W17-F21 AromaticContact CE3-CE2 3.36Å; W17-F21 HydrophobicContact CE3-CE2 3.36Å; W17-F21 HydrophobicContact CE3-CZ 4.24Å; W17-F21 HydrophobicContact CZ3-CD2 4.44Å; W17-F21 AromaticContact CZ3-CE2 3.63Å; W17-F21 HydrophobicContact CZ3-CE2 3.63Å; W17-F21 HydrophobicContact CZ3-CZ 4.05Å; W17-F21 WeakPolarHBondContact O-CD2 3.42Å; W17-F21 PolarHBondContact O-N 3.27Å; I18-F21 PolarHBondContact O-N 3.13Å; F21-L23 VanDerWaalsContact C-N 3.35Å; F21-L23 PolarHBondContact O-N 3.43Å; F21-V24 PolarHBondContact O-N 3.22Å; F21-L25 WeakPolarHBondContact O-CB 3.4Å; F21-L25 PolarHBondContact O-N 2.95Å
22S88Confident84.2Confident68 Ų68109 Ų10948%0.47653%0.528SS..Hα-helixtrans-63.4-40.5177.2-58.50000111.9I18 I19 W20 L25 A26I18-S22 WeakPolarHBondContact O-CB 3.39Å; I18-S22 PolarHBondContact O-N 3.47Å; I18-S22 PolarHBondContact O-OG 3.48Å; I19-S22 PolarHBondContact O-N 3.38Å; W20-S22 VanDerWaalsContact C-N 3.32Å; W20-S22 PolarHBondContact O-N 3.47Å; S22-L25 PolarHBondContact O-N 3.42Å; S22-A26 WeakPolarHBondContact O-CB 3.42Å; S22-A26 PolarHBondContact O-N 3.39Å
23L87.5Confident83.6Confident116 Ų116108.6 Ų108.661%0.60752%0.522SS*.Hα-helixtrans-65.8-41.8174.9-82.4167.5000112.3I19 W20 F21 A26 L27I19-L23 HydrophobicContact CG2-CD1 4.16Å; I19-L23 PolarHBondContact O-N 2.98Å; W20-L23 PolarHBondContact O-N 3Å; F21-L23 VanDerWaalsContact C-N 3.35Å; F21-L23 PolarHBondContact O-N 3.43Å; L23-A26 PolarHBondContact O-N 3.16Å; L23-L27 WeakPolarHBondContact O-CB 3.42Å; L23-L27 PolarHBondContact O-N 2.85Å
24V85.3Confident83Confident50 Ų50104 Ų10430%0.30351%0.513SS..Hα-helixtrans-63.7-43.4176.4171.80000111.2W20 F21 L27 L28W20-V24 HydrophobicContact CD2-CG2 4.11Å; W20-V24 HydrophobicContact CE3-CG2 4.17Å; W20-V24 HydrophobicContact CH2-CG2 3.98Å; W20-V24 HydrophobicContact CZ2-CG2 3.91Å; W20-V24 HydrophobicContact CZ3-CG2 4.1Å; W20-V24 WeakPolarHBondContact O-CG2 3.37Å; W20-V24 PolarHBondContact O-N 3.46Å; F21-V24 PolarHBondContact O-N 3.22Å; V24-L27 PolarHBondContact O-N 3.43Å; V24-L28 HydrophobicContact CG1-CD1 4.13Å; V24-L28 WeakPolarHBondContact O-CG 3.31Å; V24-L28 PolarHBondContact O-N 3.29Å
25L85Confident82.2Confident117 Ų117104.3 Ų104.361%0.61352%0.515SS*.Hα-helixtrans-61.4-43.7174.6-92148.6000112.3F21 S22 L28 Y29F21-L25 WeakPolarHBondContact O-CB 3.4Å; F21-L25 PolarHBondContact O-N 2.95Å; S22-L25 PolarHBondContact O-N 3.42Å; L25-L28 PolarHBondContact O-N 3.33Å; L25-Y29 WeakPolarHBondContact O-CB 3.14Å; L25-Y29 PolarHBondContact O-N 3.49Å
26A85Confident81.7Confident45 Ų45102.9 Ų102.937%0.37251%0.514SS..Hα-helixtrans-63.1-41.817600000111.9S22 L23 Y29 I30S22-A26 WeakPolarHBondContact O-CB 3.42Å; S22-A26 PolarHBondContact O-N 3.39Å; L23-A26 PolarHBondContact O-N 3.16Å; A26-Y29 PolarHBondContact O-N 3.1Å; A26-I30 WeakPolarHBondContact O-CB 3.05Å; A26-I30 WeakPolarHBondContact O-CD1 3.19Å; A26-I30 WeakPolarHBondContact O-CG1 3.34Å; A26-I30 PolarHBondContact O-N 3.38Å
27L78.7Confident81Confident104 Ų104102.8 Ų102.855%0.54551%0.513SS..Hα-helixtrans-64.6-45176.9-169.180.4000111.6L23 V24 Y29 I30 L31L23-L27 WeakPolarHBondContact O-CB 3.42Å; L23-L27 PolarHBondContact O-N 2.85Å; V24-L27 PolarHBondContact O-N 3.43Å; L27-Y29 VanDerWaalsContact C-N 3.3Å; L27-Y29 PolarHBondContact O-N 2.87Å; L27-I30 PolarHBondContact O-N 3.48Å; L27-L31 HydrophobicContact CD2-CD1 4.28Å; L27-L31 HydrophobicContact CG-CD1 3.96Å; L27-L31 HydrophobicContact CG-CG 4.49Å; L27-L31 WeakPolarHBondContact O-CB 3.36Å; L27-L31 WeakPolarHBondContact O-CG 3.45Å; L27-L31 PolarHBondContact O-N 3.34Å
28L78.3Confident80.4Confident109 Ų109103.8 Ų103.857%0.57152%0.523SS*.Hα-helixtrans-61.1-39.8175.6-73.3172.6000111.6V24 L25 R32V24-L28 HydrophobicContact CG1-CD1 4.13Å; V24-L28 WeakPolarHBondContact O-CG 3.31Å; V24-L28 PolarHBondContact O-N 3.29Å; L25-L28 PolarHBondContact O-N 3.33Å; L28-R32 WeakPolarHBondContact O-CB 3.38Å; L28-R32 PolarHBondContact O-N 2.93Å
29Y79.2Confident79.8Confident172 Ų172104.4 Ų104.468%0.67552%0.524SS*.Hα-helixtrans-63.8-48.5174.5-178.2-98.6000111.5L25 A26 L27 L31 R32 V33L25-Y29 WeakPolarHBondContact O-CB 3.14Å; L25-Y29 PolarHBondContact O-N 3.49Å; A26-Y29 PolarHBondContact O-N 3.1Å; L27-Y29 VanDerWaalsContact C-N 3.3Å; L27-Y29 PolarHBondContact O-N 2.87Å; Y29-L31 VanDerWaalsContact C-N 3.32Å; Y29-L31 PolarHBondContact O-N 3.11Å; Y29-R32 PolarHBondContact O-N 3.48Å; Y29-V33 HydrophobicContact CE1-CG2 4.33Å; Y29-V33 VanDerWaalsContact O-CG2 3.31Å; Y29-V33 WeakPolarHBondContact O-CG2 3.45Å; Y29-V33 PolarHBondContact O-N 3Å
30I79.3Confident79.2Confident111 Ų111105 Ų10557%0.56953%0.527SS*.Hα-helixtrans-62.5-37.7178.9-69165.1000111.6A26 L27 P34A26-I30 WeakPolarHBondContact O-CB 3.05Å; A26-I30 WeakPolarHBondContact O-CD1 3.19Å; A26-I30 WeakPolarHBondContact O-CG1 3.34Å; A26-I30 PolarHBondContact O-N 3.38Å; L27-I30 PolarHBondContact O-N 3.48Å; I30-P34 WeakPolarHBondContact O-CD 3.37Å; I30-P34 WeakPolarHBondContact O-CG 3.44Å
31L77Confident78.4Confident104 Ų104101.7 Ų101.755%0.54552%0.52SS..Hα-helixtrans-79.9-28.9179.3-70.7172.9000113.5L27 Y29 P34L27-L31 HydrophobicContact CD2-CD1 4.28Å; L27-L31 HydrophobicContact CG-CD1 3.96Å; L27-L31 HydrophobicContact CG-CG 4.49Å; L27-L31 WeakPolarHBondContact O-CB 3.36Å; L27-L31 WeakPolarHBondContact O-CG 3.45Å; L27-L31 PolarHBondContact O-N 3.34Å; Y29-L31 VanDerWaalsContact C-N 3.32Å; Y29-L31 PolarHBondContact O-N 3.11Å; L31-P34 WeakPolarHBondContact O-CD 3.36Å
32R76.4Confident77.7Confident174 Ų174102.5 Ų102.566%0.65753%0.528SS*.Hα-helixtrans-78.5-26179.7-168.8163.1-174.3119.20.3113.2L28 Y29 T35 M36L28-R32 WeakPolarHBondContact O-CB 3.38Å; L28-R32 PolarHBondContact O-N 2.93Å; Y29-R32 PolarHBondContact O-N 3.48Å; R32-T35 PolarHBondContact O-OG1 3.45Å; R32-T35 VanDerWaalsContact O-OG1 3.04Å; R32-M36 WeakPolarHBondContact O-CB 3.42Å; R32-M36 PolarHBondContact O-N 3.42Å; R32-M36 VanDerWaalsContact O-N 3.07Å
33V71.5Confident77Confident72 Ų72105.4 Ų105.444%0.43653%0.534SS..Hα-helixtrans-62.2-49.4176.1168.70000111.9Y29 T35 L37Y29-V33 HydrophobicContact CE1-CG2 4.33Å; Y29-V33 VanDerWaalsContact O-CG2 3.31Å; Y29-V33 WeakPolarHBondContact O-CG2 3.45Å; Y29-V33 PolarHBondContact O-N 3Å; V33-T35 PolarHBondContact O-N 3.35Å; V33-L37 VanDerWaalsContact O-CB 3.32Å; V33-L37 WeakPolarHBondContact O-CB 3.35Å; V33-L37 PolarHBondContact O-N 3.02Å
34P70.1Confident76.1Confident64 Ų64102.7 Ų102.742%0.41653%0.528SS..Hα-helixtrans-58.6-41.8175.7-25.230.3000113.9I30 L31 L37 Q38I30-P34 WeakPolarHBondContact O-CD 3.37Å; I30-P34 WeakPolarHBondContact O-CG 3.44Å; L31-P34 WeakPolarHBondContact O-CD 3.36Å; P34-L37 PolarHBondContact O-N 2.85Å; P34-Q38 WeakPolarHBondContact O-CG 3.32Å; P34-Q38 PolarHBondContact O-N 3.06Å
35T70.4Confident75.3Confident69 Ų69106.4 Ų106.442%0.42354%0.541SS..Hα-helixtrans-69.9-44.5-17759.80000111.3R32 V33 L37 Q38 E39R32-T35 PolarHBondContact O-OG1 3.45Å; R32-T35 VanDerWaalsContact O-OG1 3.04Å; V33-T35 PolarHBondContact O-N 3.35Å; T35-L37 VanDerWaalsContact C-N 3.33Å; T35-L37 PolarHBondContact O-N 3.28Å; T35-Q38 PolarHBondContact O-N 3.4Å; T35-E39 PolarHBondContact O-N 3.12Å
36M73.6Confident74.3Confident100 Ų100103.2 Ų103.249%0.49353%0.531SS..Hα-helixtrans-60.3-42.1172.5-92.3-74.2-16900111.9R32 Q38 E39 L40R32-M36 WeakPolarHBondContact O-CB 3.42Å; R32-M36 PolarHBondContact O-N 3.42Å; R32-M36 VanDerWaalsContact O-N 3.07Å; M36-Q38 VanDerWaalsContact C-N 3.34Å; M36-Q38 PolarHBondContact O-N 2.93Å; M36-E39 PolarHBondContact O-N 3.47Å; M36-L40 WeakPolarHBondContact O-CB 3.47Å; M36-L40 PolarHBondContact O-N 3.42Å
37L72.3Confident73.3Confident105 Ų105104 Ų10455%0.5553%0.534SS..Hα-helixtrans-63.3-41.3178.8-159.390.6000111.4V33 P34 T35 L40 I41V33-L37 VanDerWaalsContact O-CB 3.32Å; V33-L37 WeakPolarHBondContact O-CB 3.35Å; V33-L37 PolarHBondContact O-N 3.02Å; P34-L37 PolarHBondContact O-N 2.85Å; T35-L37 VanDerWaalsContact C-N 3.33Å; T35-L37 PolarHBondContact O-N 3.28Å; L37-L40 PolarHBondContact O-N 3.49Å; L37-I41 HydrophobicContact CD2-CD1 4.11Å; L37-I41 HydrophobicContact CG-CD1 4.11Å; L37-I41 WeakPolarHBondContact O-CB 3.48Å; L37-I41 WeakPolarHBondContact O-CD1 3.49Å; L37-I41 WeakPolarHBondContact O-CG1 3.35Å; L37-I41 PolarHBondContact O-N 3.49Å
38Q74.6Confident72.3Confident139 Ų139100.8 Ų100.865%0.6552%0.522SS*.Hα-helixtrans-65.6-43.3176.7-78.4-176.5-21.400112.5P34 T35 M36 L40 I41 L42P34-Q38 WeakPolarHBondContact O-CG 3.32Å; P34-Q38 PolarHBondContact O-N 3.06Å; T35-Q38 PolarHBondContact O-N 3.4Å; M36-Q38 VanDerWaalsContact C-N 3.34Å; M36-Q38 PolarHBondContact O-N 2.93Å; Q38-L40 VanDerWaalsContact C-N 3.35Å; Q38-I41 PolarHBondContact O-N 3.47Å; Q38-L42 WeakPolarHBondContact O-CB 3.33Å; Q38-L42 PolarHBondContact O-N 2.98Å
39E75.6Confident71.1Confident115 Ų115103.9 Ų103.954%0.53753%0.526SS..Hα-helixtrans-61-44.2175.2-75.7175.2-17500111.4T35 M36 I41 L42 Q43T35-E39 PolarHBondContact O-N 3.12Å; M36-E39 PolarHBondContact O-N 3.47Å; E39-I41 PolarHBondContact O-N 2.86Å; E39-L42 PolarHBondContact O-N 3.33Å; E39-Q43 WeakPolarHBondContact O-CB 3.42Å; E39-Q43 WeakPolarHBondContact O-CG 3.28Å; E39-Q43 PolarHBondContact O-N 2.89Å
40L76.7Confident69.9Low116 Ų116101.6 Ų101.661%0.60753%0.525SS*.Hα-helixtrans-63.8-42177.8-151.5104.6000111.7M36 L37 Q38 A44M36-L40 WeakPolarHBondContact O-CB 3.47Å; M36-L40 PolarHBondContact O-N 3.42Å; L37-L40 PolarHBondContact O-N 3.49Å; Q38-L40 VanDerWaalsContact C-N 3.35Å; L40-A44 VanDerWaalsContact O-CB 3.26Å; L40-A44 WeakPolarHBondContact O-CB 3.4Å; L40-A44 PolarHBondContact O-N 2.94Å
41I72.5Confident68.6Low77 Ų7799 Ų9940%0.39551%0.512SS..Hα-helixtrans-65.4-40.4175.4-70164.3000110.9L37 Q38 E39 A44 K45L37-I41 HydrophobicContact CD2-CD1 4.11Å; L37-I41 HydrophobicContact CG-CD1 4.11Å; L37-I41 WeakPolarHBondContact O-CB 3.48Å; L37-I41 WeakPolarHBondContact O-CD1 3.49Å; L37-I41 WeakPolarHBondContact O-CG1 3.35Å; L37-I41 PolarHBondContact O-N 3.49Å; Q38-I41 PolarHBondContact O-N 3.47Å; E39-I41 PolarHBondContact O-N 2.86Å; I41-A44 PolarHBondContact O-N 3.21Å; I41-K45 HydrophobicContact CG2-CD 4.09Å; I41-K45 WeakPolarHBondContact O-CB 3.38Å; I41-K45 VanDerWaalsContact O-CG 3.29Å; I41-K45 WeakPolarHBondContact O-CG 3.49Å; I41-K45 PolarHBondContact O-N 3.4Å
42L74.1Confident67.3Low126 Ų126101.5 Ų101.566%0.6652%0.518SS*.Hα-helixtrans-67.8-43.9179.5-163.680.1000111Q38 E39 K45 A46Q38-L42 WeakPolarHBondContact O-CB 3.33Å; Q38-L42 PolarHBondContact O-N 2.98Å; E39-L42 PolarHBondContact O-N 3.33Å; L42-K45 PolarHBondContact O-N 3.41Å; L42-A46 WeakPolarHBondContact O-CB 3.31Å; L42-A46 PolarHBondContact O-N 3.06Å
43Q73.9Confident66Low129 Ų12999.6 Ų99.660%0.60352%0.521SS*.Hα-helixtrans-61.1-47.7173-77.6179.8-18.500111.1E39 K45 A46 S47E39-Q43 WeakPolarHBondContact O-CB 3.42Å; E39-Q43 WeakPolarHBondContact O-CG 3.28Å; E39-Q43 PolarHBondContact O-N 2.89Å; Q43-K45 VanDerWaalsContact C-N 3.31Å; Q43-K45 PolarHBondContact O-N 3.48Å; Q43-A46 PolarHBondContact O-N 3.11Å; Q43-A46 VanDerWaalsContact O-N 3.12Å; Q43-S47 WeakPolarHBondContact O-CB 3.41Å; Q43-S47 PolarHBondContact O-N 2.92Å; Q43-S47 PolarHBondContact O-OG 3.32Å
44A68.1Low65.1Low58 Ų58100.4 Ų100.448%0.47953%0.53SS..Hα-helixtrans-58.1-42176.200000112.1L40 I41 A48L40-A44 VanDerWaalsContact O-CB 3.26Å; L40-A44 WeakPolarHBondContact O-CB 3.4Å; L40-A44 PolarHBondContact O-N 2.94Å; I41-A44 PolarHBondContact O-N 3.21Å; A44-A48 WeakPolarHBondContact O-CB 3.39Å; A44-A48 PolarHBondContact O-N 2.99Å
45K69Low64.3Low129 Ų129100.6 Ų100.656%0.56152%0.523SS*.Hα-helixtrans-66.4-39.3174.7-76.7175.8-179.9177.90112.6I41 L42 Q43 R49I41-K45 HydrophobicContact CG2-CD 4.09Å; I41-K45 WeakPolarHBondContact O-CB 3.38Å; I41-K45 VanDerWaalsContact O-CG 3.29Å; I41-K45 WeakPolarHBondContact O-CG 3.49Å; I41-K45 PolarHBondContact O-N 3.4Å; L42-K45 PolarHBondContact O-N 3.41Å; Q43-K45 VanDerWaalsContact C-N 3.31Å; Q43-K45 PolarHBondContact O-N 3.48Å; K45-R49 VanDerWaalsContact O-CB 3.24Å; K45-R49 WeakPolarHBondContact O-CB 3.3Å; K45-R49 PolarHBondContact O-N 3.37Å
46A64Low63.4Low49 Ų49102.5 Ų102.541%0.40554%0.536SS..Hα-helixtrans-67.1-46.7177.900000111.1L42 Q43 R49 L50L42-A46 WeakPolarHBondContact O-CB 3.31Å; L42-A46 PolarHBondContact O-N 3.06Å; Q43-A46 PolarHBondContact O-N 3.11Å; Q43-A46 VanDerWaalsContact O-N 3.12Å; A46-R49 PolarHBondContact O-N 3.19Å; A46-L50 WeakPolarHBondContact O-CB 3.5Å; A46-L50 PolarHBondContact O-N 3.38Å
47S63.3Low62.3Low62 Ų62103.4 Ų103.443%0.43455%0.552SS.*Hα-helixtrans-59.4-48.4173.7-58.30000111.1Q43 R49 L50 I51Q43-S47 WeakPolarHBondContact O-CB 3.41Å; Q43-S47 PolarHBondContact O-N 2.92Å; Q43-S47 PolarHBondContact O-OG 3.32Å; S47-R49 VanDerWaalsContact C-N 3.28Å; S47-R49 PolarHBondContact O-N 2.67Å; S47-L50 PolarHBondContact O-N 3.4Å; S47-I51 VanDerWaalsContact O-CB 3.28Å; S47-I51 WeakPolarHBondContact O-CB 3.3Å; S47-I51 WeakPolarHBondContact O-CD1 3.42Å; S47-I51 WeakPolarHBondContact O-CG1 3.16Å; S47-I51 PolarHBondContact O-N 3.14Å
48A59.1Low61.5Low36 Ų36105.9 Ų105.930%0.29856%0.561SS.*Hα-helixtrans-60.3-35.5175.900000112.7A44 K52A44-A48 WeakPolarHBondContact O-CB 3.39Å; A44-A48 PolarHBondContact O-N 2.99Å; A48-K52 WeakPolarHBondContact O-CB 3.31Å; A48-K52 PolarHBondContact O-N 3.34Å
49R52.1Low61.4Low175 Ų175100.5 Ų100.566%0.6654%0.539SS*.Hα-helixtrans-75.2-42.4179-163-177.7-70.1175.5-4.3112.5K45 A46 S47 I51 K52 N53K45-R49 VanDerWaalsContact O-CB 3.24Å; K45-R49 WeakPolarHBondContact O-CB 3.3Å; K45-R49 PolarHBondContact O-N 3.37Å; A46-R49 PolarHBondContact O-N 3.19Å; S47-R49 VanDerWaalsContact C-N 3.28Å; S47-R49 PolarHBondContact O-N 2.67Å; R49-I51 VanDerWaalsContact C-N 3.3Å; R49-I51 PolarHBondContact O-N 3.38Å; R49-K52 PolarHBondContact O-N 2.89Å; R49-N53 WeakPolarHBondContact O-CB 3.5Å; R49-N53 VanDerWaalsContact O-CG 3.31Å; R49-N53 PolarHBondContact O-N 3.2Å
50L53.5Low61.7Low124 Ų124100.8 Ų100.865%0.64954%0.538SS*.Hα-helixtrans-59.9-42.8172.6-98.6153.4000111A46 S47 N53 S54A46-L50 WeakPolarHBondContact O-CB 3.5Å; A46-L50 PolarHBondContact O-N 3.38Å; S47-L50 PolarHBondContact O-N 3.4Å; L50-N53 PolarHBondContact O-N 2.8Å; L50-S54 PolarHBondContact O-N 3.45Å; L50-S54 VanDerWaalsContact O-N 3.08Å; L50-S54 PolarHBondContact O-OG 3.26Å
51I52.2Low62.4Low56 Ų5696.6 Ų96.629%0.28752%0.517SS..Hα-helixtrans-70.3-44.1179-67.9167.3000111S47 R49 N53 S54 Y55 V366 I370S47-I51 VanDerWaalsContact O-CB 3.28Å; S47-I51 WeakPolarHBondContact O-CB 3.3Å; S47-I51 WeakPolarHBondContact O-CD1 3.42Å; S47-I51 WeakPolarHBondContact O-CG1 3.16Å; S47-I51 PolarHBondContact O-N 3.14Å; R49-I51 VanDerWaalsContact C-N 3.3Å; R49-I51 PolarHBondContact O-N 3.38Å; I51-N53 VanDerWaalsContact C-N 3.26Å; I51-N53 PolarHBondContact O-N 2.87Å; I51-S54 WeakPolarHBondContact O-CA 3.38Å; I51-S54 WeakPolarHBondContact O-CB 3.35Å; I51-S54 PolarHBondContact O-N 2.86Å; I51-Y55 HydrophobicContact CG2-CD2 3.81Å; I51-Y55 HydrophobicContact CG2-CE2 3.22Å; I51-Y55 WeakPolarHBondContact O-CD2 3.4Å; I51-Y55 PolarHBondContact O-N 3.48Å; I51-V366 HydrophobicContact CB-CG1 4.11Å; I51-V366 HydrophobicContact CD1-CG1 4.03Å; I51-V366 HydrophobicContact CG2-CG1 3.72Å; I51-I370 HydrophobicContact CG2-CD1 4.46Å
52K50.8Low63.3Low157 Ų15796.4 Ų96.468%0.68351%0.512SS*.Hα-helixtrans-58.8-37.7175.1-172.6176.3-178.4178.70112.4A48 R49 S54A48-K52 WeakPolarHBondContact O-CB 3.31Å; A48-K52 PolarHBondContact O-N 3.34Å; R49-K52 PolarHBondContact O-N 2.89Å; K52-S54 VanDerWaalsContact C-N 3.28Å
53N49Very low64.2Low133 Ų13391.8 Ų91.871%0.71149%0.486SS*.Hα-helixtrans-74.5-18.4174.5-71.1-2.8000113.1R49 L50 I51R49-N53 WeakPolarHBondContact O-CB 3.5Å; R49-N53 VanDerWaalsContact O-CG 3.31Å; R49-N53 PolarHBondContact O-N 3.2Å; L50-N53 PolarHBondContact O-N 2.8Å; I51-N53 VanDerWaalsContact C-N 3.26Å; I51-N53 PolarHBondContact O-N 2.87Å
54S52Low65.2Low89 Ų8985.8 Ų85.862%0.62246%0.457SS*.Hα-helixtrans-82.5-15.1177.5-57.90000113L50 I51 K52L50-S54 PolarHBondContact O-N 3.45Å; L50-S54 VanDerWaalsContact O-N 3.08Å; L50-S54 PolarHBondContact O-OG 3.26Å; I51-S54 WeakPolarHBondContact O-CA 3.38Å; I51-S54 WeakPolarHBondContact O-CB 3.35Å; I51-S54 PolarHBondContact O-N 2.86Å; K52-S54 VanDerWaalsContact C-N 3.28Å
55Y54.2Low66.4Low68 Ų6883.2 Ų83.227%0.26744%0.436SS..SBendtrans-98.7132.4178.6-68.6-63.1000111I51 S57 I370I51-Y55 HydrophobicContact CG2-CD2 3.81Å; I51-Y55 HydrophobicContact CG2-CE2 3.22Å; I51-Y55 WeakPolarHBondContact O-CD2 3.4Å; I51-Y55 PolarHBondContact O-N 3.48Å; Y55-S57 PolarHBondContact O-N 3.03Å; Y55-S57 VanDerWaalsContact O-N 3.16Å; Y55-I370 HydrophobicContact CD2-CD1 3.31Å; Y55-I370 HydrophobicContact CD2-CG1 4.17Å; Y55-I370 HydrophobicContact CE2-CD1 3.27Å; Y55-I370 HydrophobicContact CG-CD1 4.31Å
56P50.6Low67.6Low109 Ų10977.3 Ų77.371%0.70841%0.41SS*.  trans-60.812417923.6-30.8000109.1E58P56-E58 PolarHBondContact O-N 3.33Å
57S49.8Very low69.1Low119 Ų11975.1 Ų75.183%0.83239%0.392SS*.SBendtrans-65-0.3-178.843.90000114.6Y55Y55-S57 PolarHBondContact O-N 3.03Å; Y55-S57 VanDerWaalsContact O-N 3.16Å
58E56.2Low70.8Confident158 Ų15872.3 Ų72.374%0.73837%0.372SS*.  trans-116.4109.3-176.4-163.5170.2-163.700109.7P56 K60P56-E58 PolarHBondContact O-N 3.33Å; E58-K60 PolarHBondContact O-N 3Å
59C71.8Confident72.6Confident26 Ų2670.7 Ų70.718%0.17636%0.358CS..  trans-67.574.5169.7-71.40000109.7V61 L322 H373 F374 V377C59-V61 PolarHBondContact O-N 3.41Å; C59-L322 HydrophobicContact CB-CD1 3.92Å; C59-H373 PolarHBondContact SG-CD2 3.42Å; C59-F374 HydrophobicContact CB-CD1 4.37Å; C59-F374 HydrophobicContact CB-CE1 4.39Å; C59-F374 WeakPolarHBondContact SG-CD1 3.42Å; C59-F374 VanDerWaalsContact SG-CE1 3.55Å; C59-V377 HydrophobicContact CB-CG2 4.12Å
60K83.8Confident74.7Confident120 Ų12063.1 Ų63.152%0.52233%0.33SS..  trans-69.5121.8178.2-177.5170.9176.6179.50110.1E58 W62E58-K60 PolarHBondContact O-N 3Å; K60-W62 HydrophobicContact CD-CH2 4.1Å; K60-W62 HydrophobicContact CD-CZ2 3.62Å; K60-W62 HydrophobicContact CG-CZ2 4.21Å; K60-W62 PolarHBondContact O-NE1 3.09Å
61V90.5Very high76.8Confident29 Ų2957.6 Ų57.618%0.17630%0.303CS..EExtended strand (participates in β ladder)trans-79.7140170.3179.60000109.2C59 L93 H320 L322 V377 L381C59-V61 PolarHBondContact O-N 3.41Å; V61-L93 HydrophobicContact CB-CD1 4.43Å; V61-L93 HydrophobicContact CG1-CD1 3.69Å; V61-H320 HydrophobicContact CG1-CB 3.58Å; V61-L322 HydrophobicContact CG2-CD1 4.45Å; V61-V377 HydrophobicContact CG2-CG1 3.54Å; V61-L381 HydrophobicContact CG1-CD1 4.1Å; V61-L381 HydrophobicContact CG1-CD2 4.18Å; V61-L381 HydrophobicContact CG2-CD1 4.26Å
62W91.5Very high79Confident72 Ų7255.2 Ų55.227%0.27329%0.292SS..EExtended strand (participates in β ladder)trans-122.3145.6-178.3-61.681.7000110.1K60 N64 H320 V321K60-W62 HydrophobicContact CD-CH2 4.1Å; K60-W62 HydrophobicContact CD-CZ2 3.62Å; K60-W62 HydrophobicContact CG-CZ2 4.21Å; K60-W62 PolarHBondContact O-NE1 3.09Å; W62-N64 PolarHBondContact O-N 2.86Å; W62-H320 CarbonylContact O-C 3.56Å; W62-H320 WeakPolarHBondContact O-CA 3.4Å; W62-V321 PolarHBondContact N-O 3.44Å; W62-V321 PolarHBondContact O-N 3.36Å
63R93.1Very high81.3Confident30 Ų3048.9 Ų48.911%0.11326%0.264CS..EExtended strand (participates in β ladder)trans-63.1132.7170.6-174.1162.3-174.4-129.64.3110.6P65 D97 Y185 R188R63-P65 VanDerWaalsContact O-CD 3.31Å; R63-P65 WeakPolarHBondContact O-CD 3.43Å; R63-D97 VanDerWaalsContact CD-OD2 3.28Å; R63-D97 WeakPolarHBondContact CD-OD2 3.43Å; R63-Y185 PolarHBondContact NH2-OH 3.29Å; R63-R188 VanDerWaalsContact CZ-NH2 3.25Å
64N95.3Very high83.6Confident2 Ų242.8 Ų42.81%0.01123%0.231CC..  trans-69.3115.9176.7-173.7-0000109.8W62 M66 S67 P318 E319 V321 S331W62-N64 PolarHBondContact O-N 2.86Å; N64-M66 PolarHBondContact O-N 2.93Å; N64-M66 PolarHBondContact OD1-N 2.84Å; N64-S67 WeakPolarHBondContact O-CB 3.12Å; N64-S67 PolarHBondContact O-N 3.45Å; N64-S67 PolarHBondContact O-OG 2.96Å; N64-P318 WeakPolarHBondContact CB-O 3.17Å; N64-P318 PolarHBondContact ND2-O 3.45Å; N64-E319 WeakPolarHBondContact CB-O 3.47Å; N64-E319 PolarHBondContact N-O 2.93Å; N64-V321 HydrophobicContact CB-CG1 4.01Å; N64-S331 VanDerWaalsContact CG-OG 3.24Å; N64-S331 PolarHBondContact ND2-OG 3.27Å; N64-S331 PolarHBondContact OD1-OG 3.47Å
65P93.1Very high85.7Confident5 Ų542.3 Ų42.33%0.03222%0.22CC..THydrogen-bonded Turntrans-62.1-28.2176.423.4-30.9000112.1R63 N221 E224 N225R63-P65 VanDerWaalsContact O-CD 3.31Å; R63-P65 WeakPolarHBondContact O-CD 3.43Å; P65-N221 HydrophobicContact CB-CB 3.97Å; P65-N221 HydrophobicContact CG-CB 4.04Å; P65-E224 HydrophobicContact CB-CB 4.49Å; P65-E224 HydrophobicContact CG-CB 4.04Å; P65-N225 VanDerWaalsContact C-ND2 3.33Å; P65-N225 PolarHBondContact O-ND2 3.29Å
66M93.5Very high87.7Confident4 Ų446.1 Ų46.12%0.0223%0.233CC..THydrogen-bonded Turntrans-99.421.9-178.1-61.9-65.5-63.400113.3N64 M192 N225 E228 W335N64-M66 PolarHBondContact O-N 2.93Å; N64-M66 PolarHBondContact OD1-N 2.84Å; M66-M192 HydrophobicContact CE-CE 4Å; M66-M192 HydrophobicContact SD-CE 3.91Å; M66-N225 HydrophobicContact SD-CB 4.27Å; M66-N225 PolarHBondContact SD-ND2 3.43Å; M66-E228 HydrophobicContact CE-CB 4.17Å; M66-E228 HydrophobicContact CE-CG 3.79Å; M66-E228 HydrophobicContact SD-CB 4.38Å; M66-W335 HydrophobicContact CB-CG 4.41Å; M66-W335 HydrophobicContact CE-CB 4.21Å; M66-W335 HydrophobicContact CE-CD2 3.37Å; M66-W335 HydrophobicContact CE-CE3 3.79Å; M66-W335 HydrophobicContact CE-CG 3.54Å; M66-W335 HydrophobicContact CE-CZ2 4.2Å; M66-W335 HydrophobicContact CE-CZ3 4.42Å; M66-W335 PolarHBondContact O-NE1 2.85Å
67S95.9Very high89.9Confident3 Ų343.5 Ų43.52%0.02121%0.211CC..  trans-57.3138.9175.837.70000112.1N64 R189N64-S67 WeakPolarHBondContact O-CB 3.12Å; N64-S67 PolarHBondContact O-N 3.45Å; N64-S67 PolarHBondContact O-OG 2.96Å; S67-R189 PolarHBondContact O-NH1 2.78Å
68L97.8Very high92.2Very high3 Ų338.5 Ų38.52%0.01618%0.175CC..  trans-74.1174.2179.9-52.7-175.2000111.3E73 Y74 R189 L316 P317 F334 W335L68-E73 WeakPolarHBondContact CA-OE2 3.4Å; L68-E73 HydrophobicContact CB-CB 3.97Å; L68-E73 HydrophobicContact CB-CG 4.38Å; L68-E73 WeakPolarHBondContact CB-OE2 3.36Å; L68-E73 HydrophobicContact CD1-CB 4.23Å; L68-Y74 HydrophobicContact CB-CD1 4.44Å; L68-Y74 HydrophobicContact CB-CD2 4.1Å; L68-Y74 HydrophobicContact CB-CE1 3.96Å; L68-Y74 HydrophobicContact CB-CE2 3.55Å; L68-Y74 VanDerWaalsContact CB-CZ 3.46Å; L68-Y74 HydrophobicContact CD1-CD1 4.29Å; L68-Y74 HydrophobicContact CD1-CE1 3.84Å; L68-Y74 HydrophobicContact CG-CE1 4.01Å; L68-Y74 HydrophobicContact CG-CE2 4.39Å; L68-Y74 PolarHBondContact N-OH 3.5Å; L68-Y74 VanDerWaalsContact N-OH 3.12Å; L68-R189 PolarHBondContact O-NH2 3.26Å; L68-L316 HydrophobicContact CD1-CB 4.13Å; L68-L316 HydrophobicContact CD1-CD1 4.14Å; L68-L316 HydrophobicContact CD1-CD2 3.9Å; L68-L316 HydrophobicContact CD1-CG 4.28Å; L68-P317 HydrophobicContact CD1-CG 4.47Å; L68-P317 HydrophobicContact CD2-CG 4.48Å; L68-P317 HydrophobicContact CG-CG 4.23Å; L68-F334 HydrophobicContact CD2-CE1 4.41Å; L68-W335 HydrophobicContact CD2-CH2 4.18Å; L68-W335 HydrophobicContact CD2-CZ2 3.45Å; L68-W335 VanDerWaalsContact CD2-CZ2 3.45Å
69F98.1Very high94Very high2 Ų236.7 Ų36.71%0.00917%0.171CC..  trans-86.8130.8172.7-65.3-87.7000110.6A72 E73 Y74 I157 V160 R189 M192 C193F69-A72 HydrophobicContact CB-CB 4.15Å; F69-E73 HydrophobicContact CB-CG 4.33Å; F69-E73 WeakPolarHBondContact CD2-OE2 3.35Å; F69-E73 PolarHBondContact N-OE2 2.95Å; F69-E73 WeakPolarHBondContact O-CA 3.45Å; F69-E73 VanDerWaalsContact O-CB 3.25Å; F69-E73 WeakPolarHBondContact O-CB 3.45Å; F69-E73 PolarHBondContact O-N 3.33Å; F69-Y74 PolarHBondContact O-N 2.91Å; F69-I157 HydrophobicContact CB-CD1 4.16Å; F69-I157 HydrophobicContact CD2-CD1 3.38Å; F69-I157 HydrophobicContact CE2-CD1 4.02Å; F69-I157 HydrophobicContact CG-CD1 3.97Å; F69-V160 HydrophobicContact CD1-CB 4.46Å; F69-V160 HydrophobicContact CD1-CG1 3.49Å; F69-V160 VanDerWaalsContact CD1-CG1 3.49Å; F69-V160 HydrophobicContact CD1-CG2 4.31Å; F69-V160 HydrophobicContact CE1-CG1 3.47Å; F69-V160 VanDerWaalsContact CE1-CG1 3.47Å; F69-V160 HydrophobicContact CG-CG1 4.32Å; F69-V160 HydrophobicContact CG-CG2 4.49Å; F69-V160 HydrophobicContact CZ-CG1 4.31Å; F69-R189 VanDerWaalsContact CD1-CZ 3.42Å; F69-R189 HydrophobicContact CE1-CB 4.27Å; F69-R189 VanDerWaalsContact CG-NH2 3.35Å; F69-M192 HydrophobicContact CE2-CB 4.15Å; F69-M192 HydrophobicContact CZ-CB 3.9Å; F69-C193 WeakPolarHBondContact CZ-SG 3.43Å
70R97Very high95.2Very high17 Ų1741.8 Ų41.86%0.06419%0.193CC..Iπ-helixtrans-67.7-50.4-167.5-163-179.5-59.9146.12.4113.5Y74 Q75 L86 M91 E151 E152 E319R70-Y74 HydrophobicContact CB-CD2 4.34Å; R70-Y74 HydrophobicContact CG-CD2 4.37Å; R70-Y74 PolarHBondContact O-N 2.82Å; R70-Q75 VanDerWaalsContact O-CB 3.27Å; R70-Q75 WeakPolarHBondContact O-CB 3.48Å; R70-Q75 PolarHBondContact O-N 2.85Å; R70-L86 HydrophobicContact CG-CD1 4.32Å; R70-M91 VanDerWaalsContact CZ-CE 3.43Å; R70-M91 PolarHBondContact NE-SD 2.95Å; R70-E151 CarbonylContact C-O 3.5Å; R70-E151 WeakPolarHBondContact CA-O 3.23Å; R70-E151 VanDerWaalsContact CB-O 3.28Å; R70-E151 WeakPolarHBondContact CB-O 3.38Å; R70-E151 PolarHBondContact N-O 3.4Å; R70-E151 VanDerWaalsContact N-O 3.07Å; R70-E152 HydrophobicContact CB-CG 4.44Å; R70-E152 IonicContact CZ-OE1 4Å; R70-E152 IonicContact NH1-OE1 2.75Å; R70-E152 PolarHBondContact NH1-OE1 3.32Å; R70-E152 IonicContact NH1-OE2 3.9Å; R70-E319 IonicContact CZ-OE1 3.47Å; R70-E319 IonicContact CZ-OE2 3.82Å; R70-E319 IonicContact NE-OE1 3.54Å; R70-E319 PolarHBondContact NE-OE1 2.85Å; R70-E319 VanDerWaalsContact NH2-CD 3.34Å; R70-E319 IonicContact NH2-OE1 2.72Å; R70-E319 PolarHBondContact NH2-OE1 3.22Å; R70-E319 IonicContact NH2-OE2 3.9Å; R70-E319 PolarHBondContact NH2-OE2 3.2Å
71G97.3Very high95.8Very high8 Ų839.2 Ų39.28%0.08219%0.188CC..Iπ-helixtrans-64.4-60.2173.700000111.2E73 Q75 R76 E151 E152 C154G71-E73 PolarHBondContact O-N 2.95Å; G71-E73 VanDerWaalsContact O-N 3.08Å; G71-Q75 WeakPolarHBondContact O-CB 2.87Å; G71-R76 PolarHBondContact O-N 2.84Å; G71-E151 PolarHBondContact N-O 2.97Å; G71-E152 WeakPolarHBondContact CA-O 3.21Å; G71-C154 CarbonylContact C-O 3.48Å
72A98Very high96.1Very high6 Ų641 Ų415%0.0521%0.213CC..Iπ-helixtrans-65.5-20.3-169.200000115.2F69 C154 E155 I157 V160F69-A72 HydrophobicContact CB-CB 4.15Å; A72-C154 WeakPolarHBondContact CA-O 3.45Å; A72-C154 PolarHBondContact N-O 3.41Å; A72-E155 VanDerWaalsContact CA-O 3.31Å; A72-E155 WeakPolarHBondContact CA-O 3.24Å; A72-I157 HydrophobicContact CB-CD1 3.88Å; A72-V160 HydrophobicContact CB-CG2 4.13Å
73E97.9Very high96.3Very high24 Ų2444.4 Ų44.411%0.11223%0.225CC..Iπ-helixtrans-131.7-59.9-172.4-49.2-169.673.800114.1L68 F69 G71 R76 F77 I157 R196L68-E73 WeakPolarHBondContact CA-OE2 3.4Å; L68-E73 HydrophobicContact CB-CB 3.97Å; L68-E73 HydrophobicContact CB-CG 4.38Å; L68-E73 WeakPolarHBondContact CB-OE2 3.36Å; L68-E73 HydrophobicContact CD1-CB 4.23Å; F69-E73 HydrophobicContact CB-CG 4.33Å; F69-E73 WeakPolarHBondContact CD2-OE2 3.35Å; F69-E73 PolarHBondContact N-OE2 2.95Å; F69-E73 WeakPolarHBondContact O-CA 3.45Å; F69-E73 VanDerWaalsContact O-CB 3.25Å; F69-E73 WeakPolarHBondContact O-CB 3.45Å; F69-E73 PolarHBondContact O-N 3.33Å; G71-E73 PolarHBondContact O-N 2.95Å; G71-E73 VanDerWaalsContact O-N 3.08Å; E73-R76 PolarHBondContact O-N 2.81Å; E73-F77 WeakPolarHBondContact O-CB 3.31Å; E73-F77 PolarHBondContact O-N 2.85Å; E73-I157 HydrophobicContact CG-CD1 4.12Å; E73-R196 IonicContact OE1-CZ 3.83Å; E73-R196 IonicContact OE1-NH1 3.48Å; E73-R196 PolarHBondContact OE1-NH1 3.29Å; E73-R196 IonicContact OE1-NH2 3.65Å; E73-R196 PolarHBondContact OE1-NH2 3.02Å; E73-R196 IonicContact OE2-CZ 2.79Å; E73-R196 IonicContact OE2-NH1 3.59Å; E73-R196 PolarHBondContact OE2-NH1 3.46Å; E73-R196 IonicContact OE2-NH2 2.7Å
74Y97.9Very high96.3Very high4 Ų448.8 Ų48.82%0.01625%0.247CC..Iπ-helixtrans-64.7-51.1-177.7-67.4-58.9000111L68 F69 R70 R76 F77 T78 A85 L86 L316 P317 E319L68-Y74 HydrophobicContact CB-CD1 4.44Å; L68-Y74 HydrophobicContact CB-CD2 4.1Å; L68-Y74 HydrophobicContact CB-CE1 3.96Å; L68-Y74 HydrophobicContact CB-CE2 3.55Å; L68-Y74 VanDerWaalsContact CB-CZ 3.46Å; L68-Y74 HydrophobicContact CD1-CD1 4.29Å; L68-Y74 HydrophobicContact CD1-CE1 3.84Å; L68-Y74 HydrophobicContact CG-CE1 4.01Å; L68-Y74 HydrophobicContact CG-CE2 4.39Å; L68-Y74 PolarHBondContact N-OH 3.5Å; L68-Y74 VanDerWaalsContact N-OH 3.12Å; F69-Y74 PolarHBondContact O-N 2.91Å; R70-Y74 HydrophobicContact CB-CD2 4.34Å; R70-Y74 HydrophobicContact CG-CD2 4.37Å; R70-Y74 PolarHBondContact O-N 2.82Å; Y74-R76 VanDerWaalsContact C-N 3.33Å; Y74-R76 PolarHBondContact O-N 3.45Å; Y74-F77 WeakPolarHBondContact O-CB 3.4Å; Y74-F77 PolarHBondContact O-N 3.27Å; Y74-T78 PolarHBondContact O-N 3.38Å; Y74-T78 PolarHBondContact O-OG1 3.28Å; Y74-A85 HydrophobicContact CD1-CB 3.89Å; Y74-A85 HydrophobicContact CG-CB 4.49Å; Y74-L86 HydrophobicContact CD1-CD1 4.39Å; Y74-L86 HydrophobicContact CD1-CD2 3.94Å; Y74-L86 HydrophobicContact CD1-CG 4.02Å; Y74-L86 HydrophobicContact CD2-CD1 3.67Å; Y74-L86 HydrophobicContact CD2-CD2 4.31Å; Y74-L86 HydrophobicContact CD2-CG 4.2Å; Y74-L86 HydrophobicContact CE1-CD2 3.72Å; Y74-L86 HydrophobicContact CE1-CG 4.32Å; Y74-L86 HydrophobicContact CE2-CD1 4.09Å; Y74-L86 HydrophobicContact CE2-CD2 4.15Å; Y74-L86 HydrophobicContact CG-CD1 3.87Å; Y74-L86 HydrophobicContact CG-CD2 4.25Å; Y74-L86 HydrophobicContact CG-CG 3.97Å; Y74-L316 HydrophobicContact CD1-CB 4.13Å; Y74-L316 HydrophobicContact CD1-CD1 3.84Å; Y74-L316 HydrophobicContact CE1-CB 3.93Å; Y74-L316 HydrophobicContact CE1-CD1 4.39Å; Y74-P317 WeakPolarHBondContact CE1-O 3.37Å; Y74-P317 VanDerWaalsContact CZ-O 3.27Å; Y74-P317 PolarHBondContact OH-O 3.35Å; Y74-E319 HydrophobicContact CE2-CG 3.77Å
75Q96.5Very high96.3Very high80 Ų8048.9 Ų48.937%0.37425%0.248SC..Iπ-helixtrans-64.2-40.5178.4-170.962.848.100110.9R70 G71 F77 T78 N79R70-Q75 VanDerWaalsContact O-CB 3.27Å; R70-Q75 WeakPolarHBondContact O-CB 3.48Å; R70-Q75 PolarHBondContact O-N 2.85Å; G71-Q75 WeakPolarHBondContact O-CB 2.87Å; Q75-F77 VanDerWaalsContact C-N 3.3Å; Q75-F77 PolarHBondContact O-N 3.3Å; Q75-T78 PolarHBondContact O-N 2.64Å; Q75-N79 PolarHBondContact NE2-OD1 2.95Å; Q75-N79 WeakPolarHBondContact O-CB 3.43Å; Q75-N79 PolarHBondContact O-N 3.37Å; Q75-N79 PolarHBondContact O-ND2 3.49Å; Q75-N79 PolarHBondContact O-OD1 3.46Å
76R96.5Very high96.5Very high147 Ų14749.6 Ų49.656%0.55525%0.252SS*.Hα-helixtrans-57.6-43.3174.2-172.7174.3177.2-132.4-2.3111.8G71 E73 Y74 M80G71-R76 PolarHBondContact O-N 2.84Å; E73-R76 PolarHBondContact O-N 2.81Å; Y74-R76 VanDerWaalsContact C-N 3.33Å; Y74-R76 PolarHBondContact O-N 3.45Å; R76-M80 HydrophobicContact CG-CE 3.87Å; R76-M80 HydrophobicContact CG-SD 4.33Å; R76-M80 WeakPolarHBondContact O-CB 3.1Å; R76-M80 VanDerWaalsContact O-CG 3.28Å; R76-M80 WeakPolarHBondContact O-CG 3.41Å; R76-M80 PolarHBondContact O-N 2.91Å; R76-M80 VanDerWaalsContact O-N 3.12Å
77F97.1Very high96.6Very high55 Ų5550.5 Ų50.524%0.24126%0.258CS..Hα-helixtrans-63.7-47.7173.8172.2-84.6000112.3E73 Y74 Q75 N79 M80 T81 R83 A85 L316 W385E73-F77 WeakPolarHBondContact O-CB 3.31Å; E73-F77 PolarHBondContact O-N 2.85Å; Y74-F77 WeakPolarHBondContact O-CB 3.4Å; Y74-F77 PolarHBondContact O-N 3.27Å; Q75-F77 VanDerWaalsContact C-N 3.3Å; Q75-F77 PolarHBondContact O-N 3.3Å; F77-N79 VanDerWaalsContact C-N 3.31Å; F77-N79 PolarHBondContact O-N 2.96Å; F77-M80 PolarHBondContact O-N 3.49Å; F77-T81 HydrophobicContact CD2-CG2 4.06Å; F77-T81 HydrophobicContact CE1-CG2 4.44Å; F77-T81 WeakPolarHBondContact CE1-OG1 3.38Å; F77-T81 HydrophobicContact CE2-CG2 3.82Å; F77-T81 HydrophobicContact CG-CG2 4.48Å; F77-T81 HydrophobicContact CZ-CG2 4.02Å; F77-T81 WeakPolarHBondContact O-CB 3.34Å; F77-T81 WeakPolarHBondContact O-CG2 3.29Å; F77-T81 PolarHBondContact O-N 3.33Å; F77-T81 PolarHBondContact O-OG1 2.92Å; F77-R83 HydrophobicContact CE1-CB 4.22Å; F77-R83 WeakPolarHBondContact CE1-O 3.32Å; F77-A85 HydrophobicContact CD1-CB 3.79Å; F77-A85 HydrophobicContact CE1-CB 4.31Å; F77-L316 HydrophobicContact CB-CD1 3.52Å; F77-L316 HydrophobicContact CD1-CD1 4.22Å; F77-L316 HydrophobicContact CD2-CD1 4.01Å; F77-L316 HydrophobicContact CD2-CG 4.21Å; F77-L316 HydrophobicContact CG-CD1 3.66Å; F77-L316 HydrophobicContact CG-CG 4.29Å; F77-W385 HydrophobicContact CE1-CH2 4.5Å; F77-W385 HydrophobicContact CE1-CZ2 4.29Å; F77-W385 HydrophobicContact CZ-CH2 4.27Å; F77-W385 HydrophobicContact CZ-CZ2 4.49Å
78T96.5Very high96.5Very high14 Ų1456.5 Ų56.59%0.08628%0.28CS..Hα-helixtrans-59-44.7178.9-60.60000110.7Y74 Q75 M80 T81 G82 R83 A85Y74-T78 PolarHBondContact O-N 3.38Å; Y74-T78 PolarHBondContact O-OG1 3.28Å; Q75-T78 PolarHBondContact O-N 2.64Å; T78-M80 VanDerWaalsContact C-N 3.33Å; T78-M80 PolarHBondContact O-N 3.24Å; T78-T81 PolarHBondContact O-N 2.98Å; T78-G82 VanDerWaalsContact O-CA 3.28Å; T78-G82 WeakPolarHBondContact O-CA 3.41Å; T78-G82 PolarHBondContact O-N 2.75Å; T78-R83 WeakPolarHBondContact CA-O 3.18Å; T78-R83 PolarHBondContact OG1-O 3.34Å; T78-A85 PolarHBondContact OG1-N 2.87Å
79N95.9Very high96.4Very high119 Ų11959.8 Ų59.864%0.63629%0.293SS*.Hα-helixtrans-62.3-37.3178.1-69.9-7.9000112.8Q75 F77Q75-N79 PolarHBondContact NE2-OD1 2.95Å; Q75-N79 WeakPolarHBondContact O-CB 3.43Å; Q75-N79 PolarHBondContact O-N 3.37Å; Q75-N79 PolarHBondContact O-ND2 3.49Å; Q75-N79 PolarHBondContact O-OD1 3.46Å; F77-N79 VanDerWaalsContact C-N 3.31Å; F77-N79 PolarHBondContact O-N 2.96Å
80M96.9Very high96.3Very high133 Ų13359.8 Ų59.866%0.65529%0.293SS*.Hα-helixtrans-79.8-33-178.6-73.8-178.417900113.6R76 F77 T78R76-M80 HydrophobicContact CG-CE 3.87Å; R76-M80 HydrophobicContact CG-SD 4.33Å; R76-M80 WeakPolarHBondContact O-CB 3.1Å; R76-M80 VanDerWaalsContact O-CG 3.28Å; R76-M80 WeakPolarHBondContact O-CG 3.41Å; R76-M80 PolarHBondContact O-N 2.91Å; R76-M80 VanDerWaalsContact O-N 3.12Å; F77-M80 PolarHBondContact O-N 3.49Å; T78-M80 VanDerWaalsContact C-N 3.33Å; T78-M80 PolarHBondContact O-N 3.24Å
81T96.3Very high96.2Very high67 Ų6760.8 Ų60.841%0.41130%0.299SS..Hα-helixtrans-107.7-17.1-170.864.30000113.8F77 T78 R83F77-T81 HydrophobicContact CD2-CG2 4.06Å; F77-T81 HydrophobicContact CE1-CG2 4.44Å; F77-T81 WeakPolarHBondContact CE1-OG1 3.38Å; F77-T81 HydrophobicContact CE2-CG2 3.82Å; F77-T81 HydrophobicContact CG-CG2 4.48Å; F77-T81 HydrophobicContact CZ-CG2 4.02Å; F77-T81 WeakPolarHBondContact O-CB 3.34Å; F77-T81 WeakPolarHBondContact O-CG2 3.29Å; F77-T81 PolarHBondContact O-N 3.33Å; F77-T81 PolarHBondContact O-OG1 2.92Å; T78-T81 PolarHBondContact O-N 2.98Å; T81-R83 PolarHBondContact O-N 3.41Å; T81-R83 PolarHBondContact OG1-N 3.24Å
82G95.8Very high96.1Very high67 Ų6762.4 Ų62.469%0.69131%0.306SS*.SBendtrans66.612.1-169.800000113.7T78T78-G82 VanDerWaalsContact O-CA 3.28Å; T78-G82 WeakPolarHBondContact O-CA 3.41Å; T78-G82 PolarHBondContact O-N 2.75Å
83R95Very high96Very high143 Ų14363.4 Ų63.454%0.5431%0.31SS..SBendtrans-109.9125.9179.3-62.2-177.3-176.3-173.70.9109.7F77 T78 T81 A85 W385F77-R83 HydrophobicContact CE1-CB 4.22Å; F77-R83 WeakPolarHBondContact CE1-O 3.32Å; T78-R83 WeakPolarHBondContact CA-O 3.18Å; T78-R83 PolarHBondContact OG1-O 3.34Å; T81-R83 PolarHBondContact O-N 3.41Å; T81-R83 PolarHBondContact OG1-N 3.24Å; R83-A85 PolarHBondContact O-N 3.2Å; R83-W385 HydrophobicContact CB-CZ2 4.44Å
84E94.3Very high95.9Very high121 Ų12162.3 Ų62.357%0.56531%0.305SS*.  trans-59.7120.3174.6-65.8-58.8152.800110.9W385E84-W385 WeakPolarHBondContact O-CZ2 3.34Å; E84-W385 PolarHBondContact O-NE1 3.26Å
85A95.6Very high95.8Very high4 Ų462.8 Ų62.83%0.03331%0.31CS..SBendtrans-74.9-33.7177.200000112.9Y74 F77 T78 R83 L316 P383Y74-A85 HydrophobicContact CD1-CB 3.89Å; Y74-A85 HydrophobicContact CG-CB 4.49Å; F77-A85 HydrophobicContact CD1-CB 3.79Å; F77-A85 HydrophobicContact CE1-CB 4.31Å; T78-A85 PolarHBondContact OG1-N 2.87Å; R83-A85 PolarHBondContact O-N 3.2Å; A85-L316 HydrophobicContact CB-CD1 4.2Å; A85-P383 WeakPolarHBondContact O-CG 3.43Å
86L96.7Very high95.7Very high21 Ų2164.6 Ų64.611%0.1132%0.318CS..SBendtrans-118.4145.8-176-61.6177.2000110.2R70 Y74 D90 M91 E319R70-L86 HydrophobicContact CG-CD1 4.32Å; Y74-L86 HydrophobicContact CD1-CD1 4.39Å; Y74-L86 HydrophobicContact CD1-CD2 3.94Å; Y74-L86 HydrophobicContact CD1-CG 4.02Å; Y74-L86 HydrophobicContact CD2-CD1 3.67Å; Y74-L86 HydrophobicContact CD2-CD2 4.31Å; Y74-L86 HydrophobicContact CD2-CG 4.2Å; Y74-L86 HydrophobicContact CE1-CD2 3.72Å; Y74-L86 HydrophobicContact CE1-CG 4.32Å; Y74-L86 HydrophobicContact CE2-CD1 4.09Å; Y74-L86 HydrophobicContact CE2-CD2 4.15Å; Y74-L86 HydrophobicContact CG-CD1 3.87Å; Y74-L86 HydrophobicContact CG-CD2 4.25Å; Y74-L86 HydrophobicContact CG-CG 3.97Å; L86-D90 WeakPolarHBondContact CD2-OD2 3.38Å; L86-M91 HydrophobicContact CB-CG 4.2Å; L86-M91 HydrophobicContact CB-SD 4.27Å; L86-M91 HydrophobicContact CD1-SD 3.64Å; L86-E319 HydrophobicContact CD1-CG 3.99Å; L86-E319 WeakPolarHBondContact CD1-OE1 3.41Å; L86-E319 HydrophobicContact CD2-CG 4.06Å
87T96Very high95.5Very high23 Ų2359.1 Ų59.114%0.14130%0.3CS..  trans-86.7159.4176.3710000111.3Y89 D90 M91 E380 L381 L382T87-Y89 PolarHBondContact O-N 3.43Å; T87-D90 PolarHBondContact O-N 2.77Å; T87-D90 WeakPolarHBondContact OG1-CB 3.31Å; T87-D90 PolarHBondContact OG1-N 2.86Å; T87-D90 VanDerWaalsContact OG1-N 3.11Å; T87-M91 WeakPolarHBondContact O-CG 3.43Å; T87-M91 PolarHBondContact O-N 3.39Å; T87-E380 VanDerWaalsContact CB-O 3.27Å; T87-E380 WeakPolarHBondContact CB-O 3.44Å; T87-E380 WeakPolarHBondContact CG2-O 3.11Å; T87-E380 PolarHBondContact OG1-O 3.28Å; T87-L381 WeakPolarHBondContact CG2-O 3.29Å; T87-L381 PolarHBondContact OG1-O 3.42Å; T87-L382 VanDerWaalsContact CG2-C 3.47Å; T87-L382 WeakPolarHBondContact CG2-O 3.29Å
88Y93.9Very high95.4Very high128 Ų12856.6 Ų56.650%0.50229%0.289SS..Hα-helixtrans-58.6-36.1172.1176.8-102.7000112.4N92 R123Y88-N92 VanDerWaalsContact CD1-ND2 3.32Å; Y88-N92 WeakPolarHBondContact CD1-ND2 3.37Å; Y88-N92 WeakPolarHBondContact CE1-ND2 3.29Å; Y88-N92 PolarHBondContact O-N 2.88Å; Y88-N92 VanDerWaalsContact O-N 3.08Å; Y88-N92 PolarHBondContact O-ND2 3.17Å; Y88-N92 PolarHBondContact OH-ND2 3.37Å; Y88-N92 PolarHBondContact OH-OD1 2.84Å; Y88-R123 PolarHBondContact OH-NE 3.34Å; Y88-R123 VanDerWaalsContact OH-NE 3.13Å; Y88-R123 PolarHBondContact OH-NH1 3.03Å; Y88-R123 PolarHBondContact OH-NH2 3.44Å
89Y95.2Very high95.2Very high73 Ų7358 Ų5829%0.28630%0.295SS..Hα-helixtrans-64.4-47.8176.7178.2-102.5000111.4T87 M91 N92 L93 E380 L381T87-Y89 PolarHBondContact O-N 3.43Å; Y89-M91 VanDerWaalsContact C-N 3.34Å; Y89-M91 PolarHBondContact O-N 2.95Å; Y89-N92 PolarHBondContact O-N 3.34Å; Y89-L93 HydrophobicContact CD1-CD1 4.14Å; Y89-L93 HydrophobicContact CE1-CD1 3.65Å; Y89-L93 HydrophobicContact CE1-CG 4.35Å; Y89-L93 PolarHBondContact O-N 2.94Å; Y89-L93 VanDerWaalsContact O-N 3.17Å; Y89-E380 HydrophobicContact CD1-CB 3.74Å; Y89-E380 HydrophobicContact CD2-CB 4.35Å; Y89-E380 WeakPolarHBondContact CD2-OE2 3.34Å; Y89-E380 HydrophobicContact CE1-CB 4.24Å; Y89-E380 WeakPolarHBondContact CE2-OE2 3.38Å; Y89-E380 HydrophobicContact CG-CB 3.8Å; Y89-L381 HydrophobicContact CD1-CD2 3.74Å; Y89-L381 HydrophobicContact CD1-CG 4.08Å; Y89-L381 HydrophobicContact CE1-CD2 3.73Å; Y89-L381 HydrophobicContact CE1-CG 3.96Å
90D96.3Very high95Very high1 Ų157 Ų571%0.00529%0.289CS..Hα-helixtrans-60.2-44.2178.1-16419.3000111.4L86 T87 N92 L93 S94 P318 E319 H320 L381L86-D90 WeakPolarHBondContact CD2-OD2 3.38Å; T87-D90 PolarHBondContact O-N 2.77Å; T87-D90 WeakPolarHBondContact OG1-CB 3.31Å; T87-D90 PolarHBondContact OG1-N 2.86Å; T87-D90 VanDerWaalsContact OG1-N 3.11Å; D90-N92 VanDerWaalsContact C-N 3.33Å; D90-N92 PolarHBondContact O-N 3.43Å; D90-L93 WeakPolarHBondContact O-CB 3.27Å; D90-L93 PolarHBondContact O-N 2.93Å; D90-L93 VanDerWaalsContact O-N 3.15Å; D90-S94 PolarHBondContact O-N 3.46Å; D90-S94 VanDerWaalsContact O-N 3.09Å; D90-S94 PolarHBondContact O-OG 2.96Å; D90-P318 VanDerWaalsContact OD2-CB 3.27Å; D90-P318 WeakPolarHBondContact OD2-CB 3.44Å; D90-E319 PolarHBondContact OD2-N 3.25Å; D90-H320 VanDerWaalsContact OD1-CB 3.3Å; D90-H320 WeakPolarHBondContact OD1-CB 3.11Å; D90-H320 IonicContact OD1-CE1 3.89Å; D90-H320 IonicContact OD1-CG 3.65Å; D90-H320 PolarHBondContact OD1-N 3.33Å; D90-H320 IonicContact OD1-ND1 3.55Å; D90-H320 PolarHBondContact OD1-ND1 2.98Å; D90-L381 HydrophobicContact CB-CD2 4.38Å
91M95.3Very high94.7Very high38 Ų3852.2 Ų52.219%0.18726%0.264CS..Hα-helixtrans-62.3-35.2176.6-71.5-64.9-6300113.6R70 L86 T87 Y89 S94 A95R70-M91 VanDerWaalsContact CZ-CE 3.43Å; R70-M91 PolarHBondContact NE-SD 2.95Å; L86-M91 HydrophobicContact CB-CG 4.2Å; L86-M91 HydrophobicContact CB-SD 4.27Å; L86-M91 HydrophobicContact CD1-SD 3.64Å; T87-M91 WeakPolarHBondContact O-CG 3.43Å; T87-M91 PolarHBondContact O-N 3.39Å; Y89-M91 VanDerWaalsContact C-N 3.34Å; Y89-M91 PolarHBondContact O-N 2.95Å; M91-S94 PolarHBondContact O-N 3.46Å; M91-A95 PolarHBondContact O-N 3.42Å
92N95.5Very high94.5Very high43 Ų4349.3 Ų49.323%0.2325%0.246CC..Hα-helixtrans-70.5-33.4175.7-70.3-34.1000112.6Y88 Y89 D90 S94 A95 Q96Y88-N92 VanDerWaalsContact CD1-ND2 3.32Å; Y88-N92 WeakPolarHBondContact CD1-ND2 3.37Å; Y88-N92 WeakPolarHBondContact CE1-ND2 3.29Å; Y88-N92 PolarHBondContact O-N 2.88Å; Y88-N92 VanDerWaalsContact O-N 3.08Å; Y88-N92 PolarHBondContact O-ND2 3.17Å; Y88-N92 PolarHBondContact OH-ND2 3.37Å; Y88-N92 PolarHBondContact OH-OD1 2.84Å; Y89-N92 PolarHBondContact O-N 3.34Å; D90-N92 VanDerWaalsContact C-N 3.33Å; D90-N92 PolarHBondContact O-N 3.43Å; N92-S94 VanDerWaalsContact C-N 3.33Å; N92-A95 PolarHBondContact O-N 3.04Å; N92-Q96 WeakPolarHBondContact O-CG 3.4Å; N92-Q96 PolarHBondContact O-N 3.07Å; N92-Q96 VanDerWaalsContact O-N 3.08Å; N92-Q96 PolarHBondContact O-NE2 2.91Å
93L95.6Very high94.1Very high27 Ų2748.5 Ų48.514%0.14123%0.227CC..Hα-helixtrans-64.2-43.2172.7-65.2174.5000109.9V61 Y89 D90 A95 Q96 D97 H320 L381V61-L93 HydrophobicContact CB-CD1 4.43Å; V61-L93 HydrophobicContact CG1-CD1 3.69Å; Y89-L93 HydrophobicContact CD1-CD1 4.14Å; Y89-L93 HydrophobicContact CE1-CD1 3.65Å; Y89-L93 HydrophobicContact CE1-CG 4.35Å; Y89-L93 PolarHBondContact O-N 2.94Å; Y89-L93 VanDerWaalsContact O-N 3.17Å; D90-L93 WeakPolarHBondContact O-CB 3.27Å; D90-L93 PolarHBondContact O-N 2.93Å; D90-L93 VanDerWaalsContact O-N 3.15Å; L93-A95 VanDerWaalsContact C-N 3.3Å; L93-A95 PolarHBondContact O-N 3Å; L93-Q96 WeakPolarHBondContact O-CB 3.39Å; L93-Q96 PolarHBondContact O-N 2.96Å; L93-Q96 VanDerWaalsContact O-N 3.12Å; L93-D97 PolarHBondContact O-N 2.94Å; L93-H320 VanDerWaalsContact CB-CE1 3.45Å; L93-H320 WeakPolarHBondContact CB-CE1 3.48Å; L93-H320 HydrophobicContact CD1-CB 3.95Å; L93-L381 HydrophobicContact CD1-CD2 3.9Å
94S95.2Very high93.7Very high1 Ų143.4 Ų43.41%0.00721%0.214CC..Hα-helixtrans-60.6-40175.5-49.30000112.1D90 M91 N92 D97 H98 E319 H320D90-S94 PolarHBondContact O-N 3.46Å; D90-S94 VanDerWaalsContact O-N 3.09Å; D90-S94 PolarHBondContact O-OG 2.96Å; M91-S94 PolarHBondContact O-N 3.46Å; N92-S94 VanDerWaalsContact C-N 3.33Å; S94-D97 PolarHBondContact O-N 3.3Å; S94-H98 WeakPolarHBondContact O-CB 3.41Å; S94-H98 PolarHBondContact O-N 2.91Å; S94-H98 PolarHBondContact O-ND1 2.88Å; S94-E319 VanDerWaalsContact CB-OE2 3.29Å; S94-E319 WeakPolarHBondContact CB-OE2 3.45Å; S94-E319 PolarHBondContact OG-OE2 3.42Å; S94-H320 PolarHBondContact N-CE1 3.03Å; S94-H320 VanDerWaalsContact N-CE1 3.26Å; S94-H320 PolarHBondContact OG-CE1 3.23Å; S94-H320 VanDerWaalsContact OG-CE1 3.23Å
95A94.9Very high93.2Very high13 Ų1346.1 Ų46.111%0.10723%0.227CC..Hα-helixtrans-63.7-39175.700000112.4M91 N92 L93 Q99 W120M91-A95 PolarHBondContact O-N 3.42Å; N92-A95 PolarHBondContact O-N 3.04Å; L93-A95 VanDerWaalsContact C-N 3.3Å; L93-A95 PolarHBondContact O-N 3Å; A95-Q99 VanDerWaalsContact O-CG 3.29Å; A95-Q99 WeakPolarHBondContact O-CG 3.44Å; A95-Q99 PolarHBondContact O-N 3.45Å; A95-Q99 VanDerWaalsContact O-N 3.08Å; A95-Q99 PolarHBondContact O-NE2 3.38Å; A95-W120 WeakPolarHBondContact CB-O 3.18Å
96Q94.4Very high92.6Very high118 Ų11851.2 Ų51.255%0.55125%0.252SS*.Hα-helixtrans-66.8-44.6174.9-71170.25400111.4N92 L93 Q99 N100N92-Q96 WeakPolarHBondContact O-CG 3.4Å; N92-Q96 PolarHBondContact O-N 3.07Å; N92-Q96 VanDerWaalsContact O-N 3.08Å; N92-Q96 PolarHBondContact O-NE2 2.91Å; L93-Q96 WeakPolarHBondContact O-CB 3.39Å; L93-Q96 PolarHBondContact O-N 2.96Å; L93-Q96 VanDerWaalsContact O-N 3.12Å; Q96-Q99 PolarHBondContact O-N 2.94Å; Q96-N100 PolarHBondContact O-N 3.38Å
97D93.6Very high92.1Very high33 Ų3350.2 Ų50.218%0.17625%0.248CC..Hα-helixtrans-59-48.2175.7-96.3-16.1000111.7R63 L93 S94 Q99 N100 Y101 H320R63-D97 VanDerWaalsContact CD-OD2 3.28Å; R63-D97 WeakPolarHBondContact CD-OD2 3.43Å; L93-D97 PolarHBondContact O-N 2.94Å; S94-D97 PolarHBondContact O-N 3.3Å; D97-Q99 PolarHBondContact O-N 3Å; D97-N100 WeakPolarHBondContact O-CB 3.36Å; D97-N100 PolarHBondContact O-N 3.3Å; D97-N100 VanDerWaalsContact O-N 3.13Å; D97-Y101 HydrophobicContact CB-CD2 4.33Å; D97-Y101 HydrophobicContact CB-CE2 3.63Å; D97-Y101 WeakPolarHBondContact O-CD1 3.42Å; D97-Y101 WeakPolarHBondContact O-CD2 3.45Å; D97-Y101 PolarHBondContact O-N 3.39Å; D97-Y101 PolarHBondContact OD1-OH 3.49Å; D97-Y101 PolarHBondContact OD2-OH 3.35Å; D97-H320 IonicContact OD2-NE2 3.26Å; D97-H320 PolarHBondContact OD2-NE2 2.98Å
98H93.7Very high91.4Very high2 Ų253.2 Ų53.21%0.00927%0.266CS..Hα-helixtrans-64-38.7179.1-67.7165.5000112.5S94 N100 Y101 F102 W120 Y185S94-H98 WeakPolarHBondContact O-CB 3.41Å; S94-H98 PolarHBondContact O-N 2.91Å; S94-H98 PolarHBondContact O-ND1 2.88Å; H98-N100 VanDerWaalsContact C-N 3.32Å; H98-N100 PolarHBondContact O-N 3.18Å; H98-Y101 PolarHBondContact O-N 2.85Å; H98-F102 HydrophobicContact CB-CD2 3.81Å; H98-F102 HydrophobicContact CB-CE2 3.99Å; H98-F102 AromaticContact CD2-CE2 3.53Å; H98-F102 AromaticContact CG-CE2 3.83Å; H98-F102 VanDerWaalsContact O-CB 3.28Å; H98-F102 WeakPolarHBondContact O-CB 3.36Å; H98-F102 WeakPolarHBondContact O-CD2 3.36Å; H98-F102 WeakPolarHBondContact O-CG 3.41Å; H98-F102 PolarHBondContact O-N 3.43Å; H98-W120 HydrophobicContact CB-CD2 3.96Å; H98-W120 HydrophobicContact CB-CE3 3.49Å; H98-W120 VanDerWaalsContact CB-CE3 3.49Å; H98-W120 HydrophobicContact CB-CG 4.49Å; H98-W120 HydrophobicContact CB-CZ3 3.85Å; H98-W120 AromaticContact CG-CE3 3.85Å; H98-W120 AromaticContact CG-CZ3 3.73Å; H98-W120 AromaticContact ND1-CE3 3.66Å; H98-W120 AromaticContact ND1-CZ3 3.39Å; H98-W120 WeakPolarHBondContact ND1-CZ3 3.2Å; H98-Y185 PolarHBondContact NE2-OH 3.09Å
99Q93.2Very high91.1Very high43 Ų4354 Ų5420%0.20128%0.278CS..Hα-helixtrans-59.4-45171.6-75.6170.185.800111.3A95 Q96 D97 Y101 T103 W120 R121A95-Q99 VanDerWaalsContact O-CG 3.29Å; A95-Q99 WeakPolarHBondContact O-CG 3.44Å; A95-Q99 PolarHBondContact O-N 3.45Å; A95-Q99 VanDerWaalsContact O-N 3.08Å; A95-Q99 PolarHBondContact O-NE2 3.38Å; Q96-Q99 PolarHBondContact O-N 2.94Å; D97-Q99 PolarHBondContact O-N 3Å; Q99-Y101 PolarHBondContact O-N 3.19Å; Q99-T103 WeakPolarHBondContact O-CB 3.15Å; Q99-T103 WeakPolarHBondContact O-CG2 3.19Å; Q99-T103 PolarHBondContact O-N 2.85Å; Q99-T103 PolarHBondContact O-OG1 3.42Å; Q99-W120 HydrophobicContact CG-CB 3.98Å; Q99-R121 HydrophobicContact CG-CG 4.29Å
100N91.7Very high90.9Very high98 Ų9853.8 Ų53.852%0.52428%0.279SS..Hα-helixtrans-66-34.4178-177.851.2000113.2Q96 D97 H98Q96-N100 PolarHBondContact O-N 3.38Å; D97-N100 WeakPolarHBondContact O-CB 3.36Å; D97-N100 PolarHBondContact O-N 3.3Å; D97-N100 VanDerWaalsContact O-N 3.13Å; H98-N100 VanDerWaalsContact C-N 3.32Å; H98-N100 PolarHBondContact O-N 3.18Å
101Y90.6Very high90.8Very high32 Ų3256 Ų5613%0.12530%0.298CS..Hα-helixtrans-82.9-35.7-177.5-57.1-26.2000113.6D97 H98 Q99 Y185 M219D97-Y101 HydrophobicContact CB-CD2 4.33Å; D97-Y101 HydrophobicContact CB-CE2 3.63Å; D97-Y101 WeakPolarHBondContact O-CD1 3.42Å; D97-Y101 WeakPolarHBondContact O-CD2 3.45Å; D97-Y101 PolarHBondContact O-N 3.39Å; D97-Y101 PolarHBondContact OD1-OH 3.49Å; D97-Y101 PolarHBondContact OD2-OH 3.35Å; H98-Y101 PolarHBondContact O-N 2.85Å; Q99-Y101 PolarHBondContact O-N 3.19Å; Y101-Y185 HydrophobicContact CD2-CD2 4.14Å; Y101-Y185 HydrophobicContact CD2-CE2 4.33Å; Y101-M219 HydrophobicContact CE1-CE 4.24Å
102F92Very high90.8Very high6 Ų655.4 Ų55.43%0.02629%0.294CS..Hα-helixtrans-118.1-0.9-161.8-53.1-39.3000114.5H98 W120 T144 I147 V182 Y185H98-F102 HydrophobicContact CB-CD2 3.81Å; H98-F102 HydrophobicContact CB-CE2 3.99Å; H98-F102 AromaticContact CD2-CE2 3.53Å; H98-F102 AromaticContact CG-CE2 3.83Å; H98-F102 VanDerWaalsContact O-CB 3.28Å; H98-F102 WeakPolarHBondContact O-CB 3.36Å; H98-F102 WeakPolarHBondContact O-CD2 3.36Å; H98-F102 WeakPolarHBondContact O-CG 3.41Å; H98-F102 PolarHBondContact O-N 3.43Å; F102-W120 HydrophobicContact CB-CZ2 4.32Å; F102-W120 HydrophobicContact CD2-CD2 4.31Å; F102-W120 AromaticContact CD2-CE2 3.75Å; F102-W120 HydrophobicContact CD2-CE3 4.49Å; F102-W120 AromaticContact CD2-CH2 3.65Å; F102-W120 HydrophobicContact CD2-CH2 3.65Å; F102-W120 AromaticContact CD2-CZ2 3.43Å; F102-W120 HydrophobicContact CD2-CZ2 3.43Å; F102-W120 VanDerWaalsContact CD2-CZ2 3.43Å; F102-W120 HydrophobicContact CD2-CZ3 4.16Å; F102-W120 AromaticContact CE2-CH2 3.78Å; F102-W120 HydrophobicContact CE2-CH2 3.78Å; F102-W120 HydrophobicContact CE2-CZ2 4.02Å; F102-W120 HydrophobicContact CE2-CZ3 4.25Å; F102-W120 HydrophobicContact CG-CZ2 4.17Å; F102-T144 HydrophobicContact CB-CG2 3.86Å; F102-T144 HydrophobicContact CG-CG2 4.41Å; F102-I147 HydrophobicContact CD1-CD1 4.44Å; F102-I147 HydrophobicContact CE1-CD1 3.95Å; F102-I147 HydrophobicContact CE2-CG2 4.01Å; F102-I147 HydrophobicContact CZ-CD1 4.25Å; F102-I147 HydrophobicContact CZ-CG2 3.82Å; F102-V182 HydrophobicContact CD1-CG2 4.02Å; F102-Y185 HydrophobicContact CE1-CD1 4.25Å; F102-Y185 HydrophobicContact CE1-CD2 4.03Å; F102-Y185 AromaticContact CE1-CG 3.84Å; F102-Y185 HydrophobicContact CE1-CG 3.84Å; F102-Y185 HydrophobicContact CE2-CE2 4.32Å; F102-Y185 AromaticContact CZ-CD1 3.76Å; F102-Y185 HydrophobicContact CZ-CD1 3.76Å; F102-Y185 AromaticContact CZ-CD2 3.52Å; F102-Y185 HydrophobicContact CZ-CD2 3.52Å; F102-Y185 AromaticContact CZ-CE1 3.92Å; F102-Y185 HydrophobicContact CZ-CE1 3.92Å; F102-Y185 AromaticContact CZ-CE2 3.63Å; F102-Y185 HydrophobicContact CZ-CE2 3.63Å; F102-Y185 AromaticContact CZ-CG 3.58Å; F102-Y185 HydrophobicContact CZ-CG 3.58Å; F102-Y185 AromaticContact CZ-CZ 3.83Å
103T88.4Confident90.7Very high50 Ų5053.6 Ų53.631%0.30728%0.284SS..  trans-104.6138.7172.671.20000110.3Q99 Q117Q99-T103 WeakPolarHBondContact O-CB 3.15Å; Q99-T103 WeakPolarHBondContact O-CG2 3.19Å; Q99-T103 PolarHBondContact O-N 2.85Å; Q99-T103 PolarHBondContact O-OG1 3.42Å; T103-Q117 HydrophobicContact CG2-CG 3.9Å
104S85.9Confident90.6Very high36 Ų3656.8 Ų56.825%0.25230%0.299SS..  trans-142.5143.7-179-175.10000110L106 D107S104-L106 PolarHBondContact O-N 2.88Å; S104-L106 PolarHBondContact OG-N 3.08Å; S104-D107 PolarHBondContact O-N 3.46Å; S104-D107 VanDerWaalsContact O-N 3.11Å
105E83.8Confident90.7Very high179 Ų17958 Ų5884%0.83631%0.305SS*.G310 helixtrans-64.2-19.2173.4-62178.9175.500112.5D107 V108E105-D107 PolarHBondContact O-N 3.43Å; E105-V108 WeakPolarHBondContact O-CG2 2.98Å
106L83.1Confident90.7Very high110 Ų11057.5 Ų57.558%0.57630%0.3SS*.G310 helixtrans-76.8-5.3175.3-60.3178.7000113.6S104 K110 N178S104-L106 PolarHBondContact O-N 2.88Å; S104-L106 PolarHBondContact OG-N 3.08Å; L106-K110 PolarHBondContact O-NZ 3.35Å; L106-N178 HydrophobicContact CD1-CB 4.41Å
107D85.2Confident90.7Very high1 Ų154.6 Ų54.61%0.00529%0.286CS..G310 helixtrans-102.710179.3-66.8-41.7000112.7S104 E105 K110 Y113 R176 Q179S104-D107 PolarHBondContact O-N 3.46Å; S104-D107 VanDerWaalsContact O-N 3.11Å; E105-D107 PolarHBondContact O-N 3.43Å; D107-K110 PolarHBondContact O-N 3.18Å; D107-K110 IonicContact OD1-NZ 3.9Å; D107-K110 PolarHBondContact OD1-NZ 3.3Å; D107-Y113 HydrophobicContact CB-CD1 3.92Å; D107-Y113 HydrophobicContact CB-CD2 4.07Å; D107-Y113 HydrophobicContact CB-CG 3.59Å; D107-R176 IonicContact OD1-CZ 2.66Å; D107-R176 IonicContact OD1-NH1 3.88Å; D107-R176 PolarHBondContact OD1-NH1 3.38Å; D107-R176 IonicContact OD1-NH2 3.98Å; D107-R176 IonicContact OD2-NH1 3.59Å; D107-Q179 PolarHBondContact OD2-NE2 3.38Å
108V83Confident90.7Very high86 Ų8657 Ų5752%0.52130%0.303SS..THydrogen-bonded Turntrans-59.5145.21701780000110E105 K110E105-V108 WeakPolarHBondContact O-CG2 2.98Å; V108-K110 PolarHBondContact O-N 3.04Å
109D86.6Confident90.9Very high144 Ų14457 Ų5777%0.7730%0.302SS*.THydrogen-bonded Turntrans65.78.8-178.4-52.2-42.9000115.8
110K91.1Very high91Very high68 Ų6855 Ų5530%0.29629%0.293SS..  trans-102.3109.5173.1-60.9178.4-170.5149.30110.2L106 D107 V108 E112 Y113 E114L106-K110 PolarHBondContact O-NZ 3.35Å; D107-K110 PolarHBondContact O-N 3.18Å; D107-K110 IonicContact OD1-NZ 3.9Å; D107-K110 PolarHBondContact OD1-NZ 3.3Å; V108-K110 PolarHBondContact O-N 3.04Å; K110-E112 VanDerWaalsContact C-N 3.27Å; K110-E112 PolarHBondContact O-N 3.38Å; K110-Y113 HydrophobicContact CB-CD2 3.59Å; K110-Y113 HydrophobicContact CB-CE2 4.48Å; K110-Y113 HydrophobicContact CB-CG 4.41Å; K110-Y113 HydrophobicContact CD-CD2 3.58Å; K110-Y113 HydrophobicContact CD-CE2 3.83Å; K110-Y113 HydrophobicContact CG-CD2 4.26Å; K110-Y113 PolarHBondContact O-N 2.74Å; K110-E114 PolarHBondContact O-N 2.9Å
111A94.9Very high91.1Very high49 Ų4956.8 Ų56.841%0.40529%0.293SS..Hα-helixtrans-55-38.4-173.800000113.6Y113 E114 I115 L138A111-Y113 VanDerWaalsContact C-N 3.29Å; A111-Y113 PolarHBondContact O-N 3.17Å; A111-E114 PolarHBondContact O-N 3.24Å; A111-I115 WeakPolarHBondContact O-CG1 3.12Å; A111-I115 PolarHBondContact O-N 2.87Å; A111-I115 VanDerWaalsContact O-N 3.11Å; A111-L138 HydrophobicContact CB-CD1 3.89Å
112E94.4Very high91.3Very high24 Ų2458.2 Ų58.211%0.11230%0.3CS..Hα-helixtrans-64.8-33.2177.471.8-83.9-156.700112.6K110 M116 A135 L138 N139 C142K110-E112 VanDerWaalsContact C-N 3.27Å; K110-E112 PolarHBondContact O-N 3.38Å; E112-M116 WeakPolarHBondContact O-CG 3.19Å; E112-M116 PolarHBondContact O-N 3.37Å; E112-M116 VanDerWaalsContact O-N 3.14Å; E112-A135 HydrophobicContact CB-CB 4.16Å; E112-A135 WeakPolarHBondContact CB-O 3.43Å; E112-L138 HydrophobicContact CB-CB 4.36Å; E112-N139 HydrophobicContact CB-CB 4.17Å; E112-N139 HydrophobicContact CG-CB 3.84Å; E112-N139 PolarHBondContact OE1-ND2 2.97Å; E112-C142 HydrophobicContact CB-CB 4.46Å; E112-C142 HydrophobicContact CG-CB 4.19Å
113Y93.6Very high91.3Very high5 Ų566.3 Ų66.32%0.0233%0.331CS..Hα-helixtrans-81.6-33.5179.1-71.5-79.6000112.1D107 K110 A111 I115 M116 Q117 T144 R176D107-Y113 HydrophobicContact CB-CD1 3.92Å; D107-Y113 HydrophobicContact CB-CD2 4.07Å; D107-Y113 HydrophobicContact CB-CG 3.59Å; K110-Y113 HydrophobicContact CB-CD2 3.59Å; K110-Y113 HydrophobicContact CB-CE2 4.48Å; K110-Y113 HydrophobicContact CB-CG 4.41Å; K110-Y113 HydrophobicContact CD-CD2 3.58Å; K110-Y113 HydrophobicContact CD-CE2 3.83Å; K110-Y113 HydrophobicContact CG-CD2 4.26Å; K110-Y113 PolarHBondContact O-N 2.74Å; A111-Y113 VanDerWaalsContact C-N 3.29Å; A111-Y113 PolarHBondContact O-N 3.17Å; Y113-I115 VanDerWaalsContact C-N 3.33Å; Y113-M116 PolarHBondContact O-N 2.87Å; Y113-Q117 VanDerWaalsContact O-CG 3.3Å; Y113-Q117 WeakPolarHBondContact O-CG 3.41Å; Y113-Q117 PolarHBondContact O-N 3.17Å; Y113-T144 HydrophobicContact CE1-CG2 4.34Å; Y113-R176 VanDerWaalsContact CZ-CZ 3.46Å; Y113-R176 VanDerWaalsContact CZ-NH2 3.28Å; Y113-R176 PolarHBondContact OH-NH1 2.88Å; Y113-R176 PolarHBondContact OH-NH2 3.46Å
114E94.3Very high91.6Very high95 Ų9567.3 Ų67.344%0.44433%0.334SS..Hα-helixtrans-59.7-45.1170.8-68.2178.2176.400111K110 A111 M116 Q117 T118K110-E114 PolarHBondContact O-N 2.9Å; A111-E114 PolarHBondContact O-N 3.24Å; E114-M116 VanDerWaalsContact C-N 3.35Å; E114-M116 PolarHBondContact O-N 2.85Å; E114-Q117 PolarHBondContact O-N 3.45Å; E114-T118 PolarHBondContact O-N 2.7Å
115I96.6Very high91.9Very high26 Ų2668.6 Ų68.613%0.13334%0.342CS..Hα-helixtrans-58-49.3173-67.3169.2000110A111 Y113 Q117 T118 A119 S131 K134 A135 L138A111-I115 WeakPolarHBondContact O-CG1 3.12Å; A111-I115 PolarHBondContact O-N 2.87Å; A111-I115 VanDerWaalsContact O-N 3.11Å; Y113-I115 VanDerWaalsContact C-N 3.33Å; I115-Q117 VanDerWaalsContact C-N 3.34Å; I115-Q117 PolarHBondContact O-N 3.49Å; I115-T118 PolarHBondContact O-N 2.91Å; I115-T118 VanDerWaalsContact O-N 3.12Å; I115-T118 PolarHBondContact O-OG1 3.49Å; I115-A119 PolarHBondContact O-N 3.23Å; I115-S131 WeakPolarHBondContact CG2-O 3.18Å; I115-K134 HydrophobicContact CD1-CD 4.01Å; I115-K134 HydrophobicContact CD1-CG 3.97Å; I115-A135 HydrophobicContact CB-CB 4.44Å; I115-A135 HydrophobicContact CG2-CB 4.2Å; I115-L138 HydrophobicContact CD1-CD1 3.55Å
116M95.7Very high92.5Very high3 Ų363 Ų632%0.01533%0.326CS..Hα-helixtrans-63.7-36-179.7-72.3-54.2-56.200113.2E112 Y113 E114 T118 A119 W120 A132 A135 A145 L148E112-M116 WeakPolarHBondContact O-CG 3.19Å; E112-M116 PolarHBondContact O-N 3.37Å; E112-M116 VanDerWaalsContact O-N 3.14Å; Y113-M116 PolarHBondContact O-N 2.87Å; E114-M116 VanDerWaalsContact C-N 3.35Å; E114-M116 PolarHBondContact O-N 2.85Å; M116-T118 PolarHBondContact O-N 3.06Å; M116-A119 HydrophobicContact CE-CB 4.33Å; M116-A119 PolarHBondContact O-N 2.7Å; M116-A119 VanDerWaalsContact O-N 3.16Å; M116-A119 HydrophobicContact SD-CB 4.34Å; M116-W120 HydrophobicContact CE-CD2 4.34Å; M116-W120 HydrophobicContact CE-CH2 4.39Å; M116-W120 HydrophobicContact CE-CZ2 3.56Å; M116-W120 PolarHBondContact O-N 2.88Å; M116-A132 HydrophobicContact SD-CB 4.05Å; M116-A135 HydrophobicContact CG-CB 3.99Å; M116-A135 HydrophobicContact SD-CB 4.05Å; M116-A145 HydrophobicContact CE-CB 4.49Å; M116-A145 HydrophobicContact CG-CB 4.3Å; M116-A145 HydrophobicContact SD-CB 3.72Å; M116-L148 HydrophobicContact CE-CB 4.04Å; M116-L148 HydrophobicContact CE-CD1 4.37Å
117Q93.7Very high93.2Very high56 Ų5661.2 Ų61.226%0.26232%0.316SS..Hα-helixtrans-60.7-34.3174.7-75.51791300112.5T103 Y113 E114 I115 R121T103-Q117 HydrophobicContact CG2-CG 3.9Å; Y113-Q117 VanDerWaalsContact O-CG 3.3Å; Y113-Q117 WeakPolarHBondContact O-CG 3.41Å; Y113-Q117 PolarHBondContact O-N 3.17Å; E114-Q117 PolarHBondContact O-N 3.45Å; I115-Q117 VanDerWaalsContact C-N 3.34Å; I115-Q117 PolarHBondContact O-N 3.49Å; Q117-R121 PolarHBondContact O-NH1 3.26Å
118T94.3Very high93.7Very high85 Ų8561.6 Ų61.652%0.52132%0.318SS..Hα-helixtrans-75.3-42.2172.263.40000111.6E114 I115 M116 W120 R121 E122E114-T118 PolarHBondContact O-N 2.7Å; I115-T118 PolarHBondContact O-N 2.91Å; I115-T118 VanDerWaalsContact O-N 3.12Å; I115-T118 PolarHBondContact O-OG1 3.49Å; M116-T118 PolarHBondContact O-N 3.06Å; T118-W120 PolarHBondContact O-N 3.42Å; T118-R121 PolarHBondContact O-N 2.93Å; T118-E122 PolarHBondContact O-N 3.48Å
119A96.9Very high94.5Very high0 Ų058.5 Ų58.50%030%0.298CS..Hα-helixtrans-58.2-44179.300000112I115 M116 R121 E122 R128I115-A119 PolarHBondContact O-N 3.23Å; M116-A119 HydrophobicContact CE-CB 4.33Å; M116-A119 PolarHBondContact O-N 2.7Å; M116-A119 VanDerWaalsContact O-N 3.16Å; M116-A119 HydrophobicContact SD-CB 4.34Å; A119-R121 PolarHBondContact O-N 2.75Å; A119-E122 VanDerWaalsContact O-CB 3.31Å; A119-E122 WeakPolarHBondContact O-CB 3.36Å; A119-E122 PolarHBondContact O-N 2.93Å; A119-R128 HydrophobicContact CB-CG 4.22Å; A119-R128 VanDerWaalsContact O-CG 3.31Å; A119-R128 WeakPolarHBondContact O-CG 3.17Å
120W95.1Very high95Very high2 Ų257.9 Ų57.91%0.00829%0.291CS..THydrogen-bonded Turntrans-63.2-16.3179-64.9122.9000114.6A95 H98 Q99 F102 M116 T118 T144 I147 L148A95-W120 WeakPolarHBondContact CB-O 3.18Å; H98-W120 HydrophobicContact CB-CD2 3.96Å; H98-W120 HydrophobicContact CB-CE3 3.49Å; H98-W120 VanDerWaalsContact CB-CE3 3.49Å; H98-W120 HydrophobicContact CB-CG 4.49Å; H98-W120 HydrophobicContact CB-CZ3 3.85Å; H98-W120 AromaticContact CG-CE3 3.85Å; H98-W120 AromaticContact CG-CZ3 3.73Å; H98-W120 AromaticContact ND1-CE3 3.66Å; H98-W120 AromaticContact ND1-CZ3 3.39Å; H98-W120 WeakPolarHBondContact ND1-CZ3 3.2Å; Q99-W120 HydrophobicContact CG-CB 3.98Å; F102-W120 HydrophobicContact CB-CZ2 4.32Å; F102-W120 HydrophobicContact CD2-CD2 4.31Å; F102-W120 AromaticContact CD2-CE2 3.75Å; F102-W120 HydrophobicContact CD2-CE3 4.49Å; F102-W120 AromaticContact CD2-CH2 3.65Å; F102-W120 HydrophobicContact CD2-CH2 3.65Å; F102-W120 AromaticContact CD2-CZ2 3.43Å; F102-W120 HydrophobicContact CD2-CZ2 3.43Å; F102-W120 VanDerWaalsContact CD2-CZ2 3.43Å; F102-W120 HydrophobicContact CD2-CZ3 4.16Å; F102-W120 AromaticContact CE2-CH2 3.78Å; F102-W120 HydrophobicContact CE2-CH2 3.78Å; F102-W120 HydrophobicContact CE2-CZ2 4.02Å; F102-W120 HydrophobicContact CE2-CZ3 4.25Å; F102-W120 HydrophobicContact CG-CZ2 4.17Å; M116-W120 HydrophobicContact CE-CD2 4.34Å; M116-W120 HydrophobicContact CE-CH2 4.39Å; M116-W120 HydrophobicContact CE-CZ2 3.56Å; M116-W120 PolarHBondContact O-N 2.88Å; T118-W120 PolarHBondContact O-N 3.42Å; W120-T144 WeakPolarHBondContact CZ2-O 3.31Å; W120-I147 HydrophobicContact CH2-CG2 4.41Å; W120-L148 HydrophobicContact CD2-CD1 4.29Å; W120-L148 HydrophobicContact CE3-CD1 3.59Å; W120-L148 HydrophobicContact CH2-CB 3.79Å; W120-L148 HydrophobicContact CH2-CD1 3.47Å; W120-L148 VanDerWaalsContact CH2-CD1 3.47Å; W120-L148 HydrophobicContact CH2-CG 4.26Å; W120-L148 HydrophobicContact CZ2-CB 4.29Å; W120-L148 HydrophobicContact CZ2-CD1 4.17Å; W120-L148 HydrophobicContact CZ3-CB 4.34Å; W120-L148 HydrophobicContact CZ3-CD1 3.16Å; W120-L148 HydrophobicContact CZ3-CG 4.32Å
121R94Very high95.4Very high136 Ų13655.7 Ų55.751%0.51328%0.284SS..THydrogen-bonded Turntrans-99.8-11175.7-63176.5-178.3117.1-4.2112.9Q99 Q117 T118 A119Q99-R121 HydrophobicContact CG-CG 4.29Å; Q117-R121 PolarHBondContact O-NH1 3.26Å; T118-R121 PolarHBondContact O-N 2.93Å; A119-R121 PolarHBondContact O-N 2.75Å
122E95.2Very high95.5Very high61 Ų6153.4 Ų53.429%0.28527%0.265SS..  trans-70.5132.8-176.9-178.149.9-104.300110.4T118 A119 D124 I127 R128T118-E122 PolarHBondContact O-N 3.48Å; A119-E122 VanDerWaalsContact O-CB 3.31Å; A119-E122 WeakPolarHBondContact O-CB 3.36Å; A119-E122 PolarHBondContact O-N 2.93Å; E122-D124 WeakPolarHBondContact CG-O 2.8Å; E122-D124 PolarHBondContact OE1-N 2.76Å; E122-I127 HydrophobicContact CG-CB 3.79Å; E122-I127 HydrophobicContact CG-CG2 3.78Å; E122-R128 HydrophobicContact CB-CB 4.37Å; E122-R128 HydrophobicContact CB-CG 4.47Å; E122-R128 HydrophobicContact CG-CB 4.36Å; E122-R128 VanDerWaalsContact O-CZ 3.27Å; E122-R128 PolarHBondContact O-NE 3.32Å; E122-R128 PolarHBondContact O-NH2 3.32Å
123R92.3Very high95.7Very high176 Ų17657.4 Ų57.466%0.66428%0.279SS*.SBendtrans-84.8-35.1-178.8-65.3-176.4179.2-173.70.9112Y88 P125Y88-R123 PolarHBondContact OH-NE 3.34Å; Y88-R123 VanDerWaalsContact OH-NE 3.13Å; Y88-R123 PolarHBondContact OH-NH1 3.03Å; Y88-R123 PolarHBondContact OH-NH2 3.44Å; R123-P125 WeakPolarHBondContact O-CD 3.31Å
124D93.7Very high95.9Very high71 Ų7162.8 Ų62.838%0.3830%0.303SS..  trans-78.8116.9179.5-169.5-29.3000110.3E122 A126 I127 R128E122-D124 WeakPolarHBondContact CG-O 2.8Å; E122-D124 PolarHBondContact OE1-N 2.76Å; D124-A126 PolarHBondContact O-N 2.95Å; D124-A126 WeakPolarHBondContact OD1-CB 3.34Å; D124-A126 PolarHBondContact OD1-N 3.37Å; D124-I127 HydrophobicContact CB-CB 4.14Å; D124-I127 HydrophobicContact CB-CD1 3.83Å; D124-I127 HydrophobicContact CB-CG1 3.89Å; D124-I127 PolarHBondContact O-N 3.47Å; D124-R128 WeakPolarHBondContact O-CB 3.43Å; D124-R128 PolarHBondContact O-N 3.32Å
125P93.1Very high96.1Very high64 Ų6458.3 Ų58.342%0.41628%0.281SS..Hα-helixtrans-59.2-34.317825-33.9000112.4R123 R128 L129R123-P125 WeakPolarHBondContact O-CD 3.31Å; P125-R128 WeakPolarHBondContact O-CB 3.25Å; P125-R128 PolarHBondContact O-N 3.01Å; P125-L129 WeakPolarHBondContact O-CB 3.48Å; P125-L129 VanDerWaalsContact O-CG 3.22Å; P125-L129 WeakPolarHBondContact O-CG 3.31Å; P125-L129 PolarHBondContact O-N 3.28Å
126A95.7Very high96.1Very high61 Ų6158.6 Ų58.650%0.50428%0.283SS..Hα-helixtrans-65.4-46.4-179.100000111.5D124 R128 L129 E130D124-A126 PolarHBondContact O-N 2.95Å; D124-A126 WeakPolarHBondContact OD1-CB 3.34Å; D124-A126 PolarHBondContact OD1-N 3.37Å; A126-R128 VanDerWaalsContact C-N 3.29Å; A126-R128 PolarHBondContact O-N 3Å; A126-L129 PolarHBondContact O-N 2.85Å; A126-E130 PolarHBondContact O-N 3.32Å
127I97.6Very high96.2Very high72 Ų7265.9 Ų65.937%0.36932%0.317SS..Hα-helixtrans-64.6-37.8177.2-59178.9000110.4E122 D124 E130 S131E122-I127 HydrophobicContact CG-CB 3.79Å; E122-I127 HydrophobicContact CG-CG2 3.78Å; D124-I127 HydrophobicContact CB-CB 4.14Å; D124-I127 HydrophobicContact CB-CD1 3.83Å; D124-I127 HydrophobicContact CB-CG1 3.89Å; D124-I127 PolarHBondContact O-N 3.47Å; I127-E130 PolarHBondContact O-N 3.38Å; I127-S131 WeakPolarHBondContact O-CB 3.26Å; I127-S131 PolarHBondContact O-N 3.27Å; I127-S131 PolarHBondContact O-OG 3.33Å
128R96.9Very high96.4Very high9 Ų967.8 Ų67.83%0.03433%0.329CS..Hα-helixtrans-61.8-46.9177.3-159.3-171.9-57.2-169.1-5.2112.2A119 E122 D124 P125 A126 S131 A132 L148 E152A119-R128 HydrophobicContact CB-CG 4.22Å; A119-R128 VanDerWaalsContact O-CG 3.31Å; A119-R128 WeakPolarHBondContact O-CG 3.17Å; E122-R128 HydrophobicContact CB-CB 4.37Å; E122-R128 HydrophobicContact CB-CG 4.47Å; E122-R128 HydrophobicContact CG-CB 4.36Å; E122-R128 VanDerWaalsContact O-CZ 3.27Å; E122-R128 PolarHBondContact O-NE 3.32Å; E122-R128 PolarHBondContact O-NH2 3.32Å; D124-R128 WeakPolarHBondContact O-CB 3.43Å; D124-R128 PolarHBondContact O-N 3.32Å; P125-R128 WeakPolarHBondContact O-CB 3.25Å; P125-R128 PolarHBondContact O-N 3.01Å; A126-R128 VanDerWaalsContact C-N 3.29Å; A126-R128 PolarHBondContact O-N 3Å; R128-S131 WeakPolarHBondContact O-CB 3.19Å; R128-S131 PolarHBondContact O-N 2.83Å; R128-A132 PolarHBondContact O-N 3.23Å; R128-L148 HydrophobicContact CG-CD1 3.82Å; R128-L148 HydrophobicContact CG-CD2 3.84Å; R128-L148 HydrophobicContact CG-CG 4.42Å; R128-L148 VanDerWaalsContact O-CD2 3.28Å; R128-L148 WeakPolarHBondContact O-CD2 3.36Å; R128-E152 WeakPolarHBondContact CD-OE1 3.49Å; R128-E152 IonicContact CZ-OE1 3.78Å; R128-E152 IonicContact CZ-OE2 2.85Å; R128-E152 IonicContact NE-OE1 3.56Å; R128-E152 IonicContact NE-OE2 2.73Å; R128-E152 IonicContact NH1-OE1 3.97Å; R128-E152 PolarHBondContact NH1-OE1 3.39Å; R128-E152 IonicContact NH1-OE2 2.7Å; R128-E152 PolarHBondContact NH1-OE2 2.85Å
129L98Very high96.4Very high21 Ų2165.3 Ų65.311%0.1131%0.312CS..Hα-helixtrans-66.1-42.3178.1-70174.8000111.8P125 A126 S131 A132 R133 L148 L149 E152 D153P125-L129 WeakPolarHBondContact O-CB 3.48Å; P125-L129 VanDerWaalsContact O-CG 3.22Å; P125-L129 WeakPolarHBondContact O-CG 3.31Å; P125-L129 PolarHBondContact O-N 3.28Å; A126-L129 PolarHBondContact O-N 2.85Å; L129-S131 VanDerWaalsContact C-N 3.28Å; L129-S131 PolarHBondContact O-N 3.26Å; L129-A132 PolarHBondContact O-N 2.89Å; L129-R133 WeakPolarHBondContact O-CG 3.28Å; L129-R133 PolarHBondContact O-N 2.64Å; L129-L148 HydrophobicContact CD2-CD2 4.2Å; L129-L149 HydrophobicContact CD2-CD2 3.9Å; L129-E152 HydrophobicContact CD2-CB 3.86Å; L129-D153 HydrophobicContact CD2-CB 3.78Å
130E98.3Very high96.3Very high132 Ų13269.6 Ų69.662%0.61734%0.34SS*.Hα-helixtrans-58.4-42.6172.8-173.3178.5178.900111.4A126 I127 A132 R133 K134A126-E130 PolarHBondContact O-N 3.32Å; I127-E130 PolarHBondContact O-N 3.38Å; E130-A132 PolarHBondContact O-N 2.67Å; E130-R133 PolarHBondContact O-N 2.91Å; E130-K134 PolarHBondContact O-N 2.93Å
131S98.4Very high96.2Very high22 Ų2272.1 Ų72.115%0.15435%0.354CS..Hα-helixtrans-62.9-42.3177.8-60.20000112.3I115 I127 R128 L129 K134 A135I115-S131 WeakPolarHBondContact CG2-O 3.18Å; I127-S131 WeakPolarHBondContact O-CB 3.26Å; I127-S131 PolarHBondContact O-N 3.27Å; I127-S131 PolarHBondContact O-OG 3.33Å; R128-S131 WeakPolarHBondContact O-CB 3.19Å; R128-S131 PolarHBondContact O-N 2.83Å; L129-S131 VanDerWaalsContact C-N 3.28Å; L129-S131 PolarHBondContact O-N 3.26Å; S131-K134 PolarHBondContact O-N 3.21Å; S131-A135 PolarHBondContact O-N 2.76Å
132A98.2Very high96.2Very high0 Ų065.7 Ų65.70%033%0.329CS..Hα-helixtrans-64.8-39.5174.800000113M116 R128 L129 E130 A135 L136 A145 L148 L149M116-A132 HydrophobicContact SD-CB 4.05Å; R128-A132 PolarHBondContact O-N 3.23Å; L129-A132 PolarHBondContact O-N 2.89Å; E130-A132 PolarHBondContact O-N 2.67Å; A132-A135 PolarHBondContact O-N 3.07Å; A132-L136 PolarHBondContact O-N 3.47Å; A132-A145 HydrophobicContact CB-CB 4.12Å; A132-L148 HydrophobicContact CB-CB 4.16Å; A132-L148 HydrophobicContact CB-CD2 3.34Å; A132-L148 HydrophobicContact CB-CG 4.34Å; A132-L149 HydrophobicContact CB-CD2 4.01Å; A132-L149 HydrophobicContact CB-CG 4.18Å
133R98.5Very high96.2Very high109 Ų10962.8 Ų62.841%0.41132%0.316SS..Hα-helixtrans-62-45174.6-68.5-179.8-170.9111.82.1111.1L129 E130 A135 L136 E137 L149 D153L129-R133 WeakPolarHBondContact O-CG 3.28Å; L129-R133 PolarHBondContact O-N 2.64Å; E130-R133 PolarHBondContact O-N 2.91Å; R133-A135 VanDerWaalsContact C-N 3.32Å; R133-A135 PolarHBondContact O-N 2.86Å; R133-L136 WeakPolarHBondContact O-CB 3.18Å; R133-L136 PolarHBondContact O-N 3.26Å; R133-L136 VanDerWaalsContact O-N 3.08Å; R133-E137 PolarHBondContact O-N 3.11Å; R133-L149 HydrophobicContact CG-CD2 4.31Å; R133-D153 IonicContact CZ-OD1 3.97Å; R133-D153 IonicContact CZ-OD2 3.43Å; R133-D153 IonicContact NH2-OD1 3.85Å; R133-D153 PolarHBondContact NH2-OD1 2.82Å; R133-D153 IonicContact NH2-OD2 3.42Å; R133-D153 PolarHBondContact NH2-OD2 3.44Å
134K98.3Very high96.4Very high118 Ų11854.5 Ų54.551%0.51329%0.285SS..Hα-helixtrans-60.2-39.7175-171.2-179.5178.1178.60112.7I115 E130 S131 L136 E137 L138I115-K134 HydrophobicContact CD1-CD 4.01Å; I115-K134 HydrophobicContact CD1-CG 3.97Å; E130-K134 PolarHBondContact O-N 2.93Å; S131-K134 PolarHBondContact O-N 3.21Å; K134-L136 VanDerWaalsContact C-N 3.3Å; K134-L136 PolarHBondContact O-N 2.57Å; K134-E137 PolarHBondContact O-N 3.5Å; K134-L138 PolarHBondContact O-N 2.73Å
135A97.7Very high96.5Very high0 Ų051.1 Ų51.10%027%0.267CS..Hα-helixtrans-63-36.917500000112.1E112 I115 M116 S131 A132 R133 L138 N139 A145E112-A135 HydrophobicContact CB-CB 4.16Å; E112-A135 WeakPolarHBondContact CB-O 3.43Å; I115-A135 HydrophobicContact CB-CB 4.44Å; I115-A135 HydrophobicContact CG2-CB 4.2Å; M116-A135 HydrophobicContact CG-CB 3.99Å; M116-A135 HydrophobicContact SD-CB 4.05Å; S131-A135 PolarHBondContact O-N 2.76Å; A132-A135 PolarHBondContact O-N 3.07Å; R133-A135 VanDerWaalsContact C-N 3.32Å; R133-A135 PolarHBondContact O-N 2.86Å; A135-L138 PolarHBondContact O-N 3.1Å; A135-N139 PolarHBondContact O-N 3.34Å; A135-A145 HydrophobicContact CB-CB 4.04Å
136L97.6Very high96.8Very high32 Ų3248.1 Ų48.117%0.16825%0.247CC..Hα-helixtrans-73-30.5175.8-73.4168.3000113.7A132 R133 K134 L138 N139 P140 C142 A145 M146 L149A132-L136 PolarHBondContact O-N 3.47Å; R133-L136 WeakPolarHBondContact O-CB 3.18Å; R133-L136 PolarHBondContact O-N 3.26Å; R133-L136 VanDerWaalsContact O-N 3.08Å; K134-L136 VanDerWaalsContact C-N 3.3Å; K134-L136 PolarHBondContact O-N 2.57Å; L136-L138 VanDerWaalsContact C-N 3.3Å; L136-N139 WeakPolarHBondContact CA-O 3.35Å; L136-N139 CarbonylContact O-C 3.15Å; L136-N139 PolarHBondContact O-N 3.44Å; L136-P140 WeakPolarHBondContact O-CA 3.33Å; L136-P140 VanDerWaalsContact O-N 3.12Å; L136-C142 HydrophobicContact CD2-CB 4.08Å; L136-A145 HydrophobicContact CD1-CB 4.22Å; L136-A145 HydrophobicContact CD2-CB 4.13Å; L136-A145 HydrophobicContact CG-CB 3.75Å; L136-M146 HydrophobicContact CD2-CE 4.01Å; L136-M146 HydrophobicContact CD2-CG 3.92Å; L136-L149 HydrophobicContact CD1-CD1 3.45Å; L136-L149 VanDerWaalsContact CD1-CD1 3.45Å
137E97.7Very high96.9Very high156 Ų15645.2 Ų45.273%0.72922%0.223SC*.Hα-helixtrans-63.4-37.6171.8-71.5172.9-177.900111.7R133 K134R133-E137 PolarHBondContact O-N 3.11Å; K134-E137 PolarHBondContact O-N 3.5Å
138L96.6Very high96.9Very high97 Ų9741.8 Ų41.851%0.50821%0.206SC..Hα-helixtrans-74-41.3175.5-63.6179.3000112.2A111 E112 I115 K134 A135 L136A111-L138 HydrophobicContact CB-CD1 3.89Å; E112-L138 HydrophobicContact CB-CB 4.36Å; I115-L138 HydrophobicContact CD1-CD1 3.55Å; K134-L138 PolarHBondContact O-N 2.73Å; A135-L138 PolarHBondContact O-N 3.1Å; L136-L138 VanDerWaalsContact C-N 3.3Å
139N94.5Very high97Very high33 Ų3341.9 Ų41.918%0.17621%0.207CC..  trans-142.9103.4178.8-177.8-4.2000110.6E112 A135 L136 N141 C142E112-N139 HydrophobicContact CB-CB 4.17Å; E112-N139 HydrophobicContact CG-CB 3.84Å; E112-N139 PolarHBondContact OE1-ND2 2.97Å; A135-N139 PolarHBondContact O-N 3.34Å; L136-N139 WeakPolarHBondContact CA-O 3.35Å; L136-N139 CarbonylContact O-C 3.15Å; L136-N139 PolarHBondContact O-N 3.44Å; N139-N141 PolarHBondContact O-N 3.12Å; N139-N141 WeakPolarHBondContact OD1-CA 3.05Å; N139-N141 PolarHBondContact OD1-N 2.84Å; N139-C142 HydrophobicContact CB-CB 4.39Å; N139-C142 VanDerWaalsContact O-CB 3.25Å; N139-C142 WeakPolarHBondContact O-CB 3.38Å; N139-C142 PolarHBondContact O-N 3.34Å
140P95.4Very high97Very high89 Ų8940.9 Ų40.958%0.57820%0.201SC*.THydrogen-bonded Turntrans-59.7-16.3178.6-2735.5000114.5L136 M146L136-P140 WeakPolarHBondContact O-CA 3.33Å; L136-P140 VanDerWaalsContact O-N 3.12Å; P140-M146 WeakPolarHBondContact O-CE 3.42Å
141N93.2Very high97Very high56 Ų5635 Ų3530%0.29917%0.174SC..THydrogen-bonded Turntrans-10018.6176.9-73.1-13.6000112.9N139 V143 A170 N174N139-N141 PolarHBondContact O-N 3.12Å; N139-N141 WeakPolarHBondContact OD1-CA 3.05Å; N139-N141 PolarHBondContact OD1-N 2.84Å; N141-V143 PolarHBondContact O-N 3.36Å; N141-A170 HydrophobicContact CB-CB 4.22Å; N141-N174 PolarHBondContact O-ND2 2.82Å; N141-N174 VanDerWaalsContact O-ND2 3.15Å
142C94.3Very high96.9Very high0 Ų034.9 Ų34.90%017%0.171CC..  trans-69.791.6174.8-173.50000111.3E112 L136 N139 T144 A145 M146E112-C142 HydrophobicContact CB-CB 4.46Å; E112-C142 HydrophobicContact CG-CB 4.19Å; L136-C142 HydrophobicContact CD2-CB 4.08Å; N139-C142 HydrophobicContact CB-CB 4.39Å; N139-C142 VanDerWaalsContact O-CB 3.25Å; N139-C142 WeakPolarHBondContact O-CB 3.38Å; N139-C142 PolarHBondContact O-N 3.34Å; C142-T144 VanDerWaalsContact C-N 3.33Å; C142-T144 PolarHBondContact O-N 3.4Å; C142-A145 HydrophobicContact CB-CB 4.06Å; C142-A145 WeakPolarHBondContact O-CB 3.4Å; C142-A145 PolarHBondContact O-N 3.33Å; C142-M146 PolarHBondContact O-N 3.18Å
143V94.9Very high96.9Very high1 Ų137.9 Ų37.91%0.00619%0.187CC..Hα-helixtrans-57-41.8-175.1-179.20000112.9N141 A145 M146 I147 A167 A170 F171 V182 I186N141-V143 PolarHBondContact O-N 3.36Å; V143-A145 VanDerWaalsContact C-N 3.33Å; V143-A145 PolarHBondContact O-N 3.16Å; V143-M146 PolarHBondContact O-N 3.17Å; V143-I147 HydrophobicContact CG1-CD1 4.26Å; V143-I147 WeakPolarHBondContact O-CG1 3.4Å; V143-I147 PolarHBondContact O-N 3.45Å; V143-A167 HydrophobicContact CG1-CB 4.24Å; V143-A170 HydrophobicContact CG2-CB 4.03Å; V143-F171 HydrophobicContact CG1-CB 4.2Å; V143-F171 HydrophobicContact CG1-CD2 4.29Å; V143-F171 HydrophobicContact CG2-CB 3.96Å; V143-F171 HydrophobicContact CG2-CD2 4.48Å; V143-V182 HydrophobicContact CG1-CG1 3.67Å; V143-I186 HydrophobicContact CG1-CD1 3.59Å
144T95.1Very high96.9Very high1 Ų133.1 Ų33.11%0.00617%0.17CC..Hα-helixtrans-69.2-32.5-177.450.40000112.1F102 Y113 W120 C142 I147 L148F102-T144 HydrophobicContact CB-CG2 3.86Å; F102-T144 HydrophobicContact CG-CG2 4.41Å; Y113-T144 HydrophobicContact CE1-CG2 4.34Å; W120-T144 WeakPolarHBondContact CZ2-O 3.31Å; C142-T144 VanDerWaalsContact C-N 3.33Å; C142-T144 PolarHBondContact O-N 3.4Å; T144-I147 PolarHBondContact O-N 2.94Å; T144-L148 PolarHBondContact O-N 3.33Å; T144-L148 VanDerWaalsContact O-N 3.13Å
145A97.4Very high96.8Very high0 Ų034.6 Ų34.60%018%0.179CC..Hα-helixtrans-66.8-42171.900000111.5M116 A132 A135 L136 C142 V143 I147 L148 L149M116-A145 HydrophobicContact CE-CB 4.49Å; M116-A145 HydrophobicContact CG-CB 4.3Å; M116-A145 HydrophobicContact SD-CB 3.72Å; A132-A145 HydrophobicContact CB-CB 4.12Å; A135-A145 HydrophobicContact CB-CB 4.04Å; L136-A145 HydrophobicContact CD1-CB 4.22Å; L136-A145 HydrophobicContact CD2-CB 4.13Å; L136-A145 HydrophobicContact CG-CB 3.75Å; C142-A145 HydrophobicContact CB-CB 4.06Å; C142-A145 WeakPolarHBondContact O-CB 3.4Å; C142-A145 PolarHBondContact O-N 3.33Å; V143-A145 VanDerWaalsContact C-N 3.33Å; V143-A145 PolarHBondContact O-N 3.16Å; A145-I147 VanDerWaalsContact C-N 3.32Å; A145-I147 PolarHBondContact O-N 3Å; A145-L148 WeakPolarHBondContact O-CB 3.48Å; A145-L148 PolarHBondContact O-N 3.19Å; A145-L149 WeakPolarHBondContact O-CG 3.47Å; A145-L149 PolarHBondContact O-N 3.38Å
146M98.2Very high96.8Very high2 Ų237.5 Ų37.51%0.0120%0.197CC..Hα-helixtrans-61.8-38.4174.3-61.3-179.4-173.400112.3L136 P140 C142 V143 L149 A150 M163 Q166 A167 A170L136-M146 HydrophobicContact CD2-CE 4.01Å; L136-M146 HydrophobicContact CD2-CG 3.92Å; P140-M146 WeakPolarHBondContact O-CE 3.42Å; C142-M146 PolarHBondContact O-N 3.18Å; V143-M146 PolarHBondContact O-N 3.17Å; M146-L149 PolarHBondContact O-N 2.95Å; M146-A150 WeakPolarHBondContact O-CB 3.35Å; M146-A150 PolarHBondContact O-N 2.87Å; M146-M163 HydrophobicContact CB-CG 4.41Å; M146-M163 HydrophobicContact CB-SD 4.13Å; M146-M163 HydrophobicContact CG-SD 4.35Å; M146-M163 VanDerWaalsContact O-CG 3.29Å; M146-M163 WeakPolarHBondContact O-CG 3.49Å; M146-Q166 HydrophobicContact CE-CG 4.05Å; M146-Q166 HydrophobicContact SD-CB 4.27Å; M146-Q166 HydrophobicContact SD-CG 3.82Å; M146-A167 HydrophobicContact CB-CB 3.79Å; M146-A167 VanDerWaalsContact SD-CA 3.53Å; M146-A167 HydrophobicContact SD-CB 4.08Å; M146-A170 HydrophobicContact CE-CB 4.16Å; M146-A170 HydrophobicContact SD-CB 4.32Å
147I97.6Very high96.9Very high0 Ų037.1 Ų37.10%020%0.195CC..Hα-helixtrans-61.4-44.8174.8-69.1169.4000110.7F102 W120 V143 T144 A145 L149 A150 E151 V182 Y185 I186F102-I147 HydrophobicContact CD1-CD1 4.44Å; F102-I147 HydrophobicContact CE1-CD1 3.95Å; F102-I147 HydrophobicContact CE2-CG2 4.01Å; F102-I147 HydrophobicContact CZ-CD1 4.25Å; F102-I147 HydrophobicContact CZ-CG2 3.82Å; W120-I147 HydrophobicContact CH2-CG2 4.41Å; V143-I147 HydrophobicContact CG1-CD1 4.26Å; V143-I147 WeakPolarHBondContact O-CG1 3.4Å; V143-I147 PolarHBondContact O-N 3.45Å; T144-I147 PolarHBondContact O-N 2.94Å; A145-I147 VanDerWaalsContact C-N 3.32Å; A145-I147 PolarHBondContact O-N 3Å; I147-L149 PolarHBondContact O-N 3.49Å; I147-A150 PolarHBondContact O-N 2.76Å; I147-E151 HydrophobicContact CG2-CG 4.47Å; I147-E151 WeakPolarHBondContact O-CG 3.47Å; I147-E151 PolarHBondContact O-N 3.14Å; I147-V182 HydrophobicContact CD1-CG1 3.82Å; I147-Y185 HydrophobicContact CG2-CD1 4Å; I147-Y185 HydrophobicContact CG2-CE1 3.62Å; I147-I186 HydrophobicContact CD1-CD1 4.04Å; I147-I186 HydrophobicContact CD1-CG1 3.72Å; I147-I186 HydrophobicContact CG1-CD1 4.39Å; I147-I186 HydrophobicContact CG1-CG1 3.93Å
148L98.1Very high96.9Very high0 Ų033 Ų330%018%0.18CC..Hα-helixtrans-59.3-48.2178-169.4100.8000111.5M116 W120 R128 L129 A132 T144 A145 A150 E151 E152M116-L148 HydrophobicContact CE-CB 4.04Å; M116-L148 HydrophobicContact CE-CD1 4.37Å; W120-L148 HydrophobicContact CD2-CD1 4.29Å; W120-L148 HydrophobicContact CE3-CD1 3.59Å; W120-L148 HydrophobicContact CH2-CB 3.79Å; W120-L148 HydrophobicContact CH2-CD1 3.47Å; W120-L148 VanDerWaalsContact CH2-CD1 3.47Å; W120-L148 HydrophobicContact CH2-CG 4.26Å; W120-L148 HydrophobicContact CZ2-CB 4.29Å; W120-L148 HydrophobicContact CZ2-CD1 4.17Å; W120-L148 HydrophobicContact CZ3-CB 4.34Å; W120-L148 HydrophobicContact CZ3-CD1 3.16Å; W120-L148 HydrophobicContact CZ3-CG 4.32Å; R128-L148 HydrophobicContact CG-CD1 3.82Å; R128-L148 HydrophobicContact CG-CD2 3.84Å; R128-L148 HydrophobicContact CG-CG 4.42Å; R128-L148 VanDerWaalsContact O-CD2 3.28Å; R128-L148 WeakPolarHBondContact O-CD2 3.36Å; L129-L148 HydrophobicContact CD2-CD2 4.2Å; A132-L148 HydrophobicContact CB-CB 4.16Å; A132-L148 HydrophobicContact CB-CD2 3.34Å; A132-L148 HydrophobicContact CB-CG 4.34Å; T144-L148 PolarHBondContact O-N 3.33Å; T144-L148 VanDerWaalsContact O-N 3.13Å; A145-L148 WeakPolarHBondContact O-CB 3.48Å; A145-L148 PolarHBondContact O-N 3.19Å; L148-A150 VanDerWaalsContact C-N 3.32Å; L148-A150 PolarHBondContact O-N 2.77Å; L148-E151 PolarHBondContact O-N 3.18Å; L148-E152 PolarHBondContact O-N 3.2Å
149L98.5Very high97Very high10 Ų1032 Ų325%0.05217%0.173CC..Hα-helixtrans-63.2-39.9178.3-63.7-177.6000111.7L129 A132 R133 L136 A145 M146 I147 E151 D153 C154 M163L129-L149 HydrophobicContact CD2-CD2 3.9Å; A132-L149 HydrophobicContact CB-CD2 4.01Å; A132-L149 HydrophobicContact CB-CG 4.18Å; R133-L149 HydrophobicContact CG-CD2 4.31Å; L136-L149 HydrophobicContact CD1-CD1 3.45Å; L136-L149 VanDerWaalsContact CD1-CD1 3.45Å; A145-L149 WeakPolarHBondContact O-CG 3.47Å; A145-L149 PolarHBondContact O-N 3.38Å; M146-L149 PolarHBondContact O-N 2.95Å; I147-L149 PolarHBondContact O-N 3.49Å; L149-E151 VanDerWaalsContact C-N 3.32Å; L149-E151 PolarHBondContact O-N 3.18Å; L149-D153 HydrophobicContact CB-CB 4.2Å; L149-D153 HydrophobicContact CD2-CB 4.01Å; L149-D153 WeakPolarHBondContact O-CA 3.31Å; L149-D153 VanDerWaalsContact O-CB 3.22Å; L149-D153 WeakPolarHBondContact O-CB 3.1Å; L149-D153 PolarHBondContact O-N 3.3Å; L149-C154 PolarHBondContact O-N 3.18Å; L149-C154 VanDerWaalsContact O-N 3.16Å; L149-M163 HydrophobicContact CB-CE 4.16Å; L149-M163 HydrophobicContact CB-SD 4.49Å; L149-M163 HydrophobicContact CD1-CE 4.35Å
150A98.5Very high97.2Very high0 Ų030.4 Ų30.40%016%0.164CC..Hα-helixtrans-62-39.3175.800000112.4M146 I147 L148 V160 M163 L164M146-A150 WeakPolarHBondContact O-CB 3.35Å; M146-A150 PolarHBondContact O-N 2.87Å; I147-A150 PolarHBondContact O-N 2.76Å; L148-A150 VanDerWaalsContact C-N 3.32Å; L148-A150 PolarHBondContact O-N 2.77Å; A150-V160 HydrophobicContact CB-CG1 4.37Å; A150-V160 WeakPolarHBondContact O-CG2 3.35Å; A150-M163 HydrophobicContact CB-CB 3.89Å; A150-M163 HydrophobicContact CB-CG 3.68Å; A150-L164 HydrophobicContact CB-CD2 3.77Å; A150-L164 HydrophobicContact CB-CG 3.81Å
151E97.4Very high97.4Very high9 Ų926.8 Ų26.84%0.04214%0.14CC..Hα-helixtrans-78-38-179-69.8-64.5161.100112.7R70 G71 I147 L148 L149 Y185 R189R70-E151 CarbonylContact C-O 3.5Å; R70-E151 WeakPolarHBondContact CA-O 3.23Å; R70-E151 VanDerWaalsContact CB-O 3.28Å; R70-E151 WeakPolarHBondContact CB-O 3.38Å; R70-E151 PolarHBondContact N-O 3.4Å; R70-E151 VanDerWaalsContact N-O 3.07Å; G71-E151 PolarHBondContact N-O 2.97Å; I147-E151 HydrophobicContact CG2-CG 4.47Å; I147-E151 WeakPolarHBondContact O-CG 3.47Å; I147-E151 PolarHBondContact O-N 3.14Å; L148-E151 PolarHBondContact O-N 3.18Å; L149-E151 VanDerWaalsContact C-N 3.32Å; L149-E151 PolarHBondContact O-N 3.18Å; E151-Y185 HydrophobicContact CG-CE1 4.36Å; E151-Y185 PolarHBondContact OE1-OH 2.82Å; E151-R189 WeakPolarHBondContact OE1-CD 3.5Å; E151-R189 WeakPolarHBondContact OE1-CG 3.39Å; E151-R189 IonicContact OE1-CZ 3.23Å; E151-R189 IonicContact OE1-NE 2.74Å; E151-R189 PolarHBondContact OE1-NE 3.34Å; E151-R189 IonicContact OE1-NH2 3.78Å; E151-R189 PolarHBondContact OE1-NH2 2.87Å; E151-R189 IonicContact OE2-CZ 3.98Å; E151-R189 IonicContact OE2-NE 2.77Å; E151-R189 IonicContact OE2-NH2 3.45Å; E151-R189 PolarHBondContact OE2-NH2 2.96Å
152E97Very high97.6Very high19 Ų1929.9 Ų29.99%0.08915%0.152CC..Hα-helixtrans-115-27.6-166.6-59.1-168.1-146.400115.1R70 G71 R128 L129 L148R70-E152 HydrophobicContact CB-CG 4.44Å; R70-E152 IonicContact CZ-OE1 4Å; R70-E152 IonicContact NH1-OE1 2.75Å; R70-E152 PolarHBondContact NH1-OE1 3.32Å; R70-E152 IonicContact NH1-OE2 3.9Å; G71-E152 WeakPolarHBondContact CA-O 3.21Å; R128-E152 WeakPolarHBondContact CD-OE1 3.49Å; R128-E152 IonicContact CZ-OE1 3.78Å; R128-E152 IonicContact CZ-OE2 2.85Å; R128-E152 IonicContact NE-OE1 3.56Å; R128-E152 IonicContact NE-OE2 2.73Å; R128-E152 IonicContact NH1-OE1 3.97Å; R128-E152 PolarHBondContact NH1-OE1 3.39Å; R128-E152 IonicContact NH1-OE2 2.7Å; R128-E152 PolarHBondContact NH1-OE2 2.85Å; L129-E152 HydrophobicContact CD2-CB 3.86Å; L148-E152 PolarHBondContact O-N 3.2Å
153D97.8Very high97.8Very high63 Ų6331.8 Ų31.834%0.33716%0.162SC..THydrogen-bonded Turntrans-95.7-38.8-174-154.941.9000113L129 R133 L149 E155L129-D153 HydrophobicContact CD2-CB 3.78Å; R133-D153 IonicContact CZ-OD1 3.97Å; R133-D153 IonicContact CZ-OD2 3.43Å; R133-D153 IonicContact NH2-OD1 3.85Å; R133-D153 PolarHBondContact NH2-OD1 2.82Å; R133-D153 IonicContact NH2-OD2 3.42Å; R133-D153 PolarHBondContact NH2-OD2 3.44Å; L149-D153 HydrophobicContact CB-CB 4.2Å; L149-D153 HydrophobicContact CD2-CB 4.01Å; L149-D153 WeakPolarHBondContact O-CA 3.31Å; L149-D153 VanDerWaalsContact O-CB 3.22Å; L149-D153 WeakPolarHBondContact O-CB 3.1Å; L149-D153 PolarHBondContact O-N 3.3Å; D153-E155 PolarHBondContact O-N 2.97Å
154C98.3Very high98Very high9 Ų931.8 Ų31.86%0.06116%0.162CC..  trans-64.8131.4-177.2-65.80000111.9G71 A72 L149 E159 V160G71-C154 CarbonylContact C-O 3.48Å; A72-C154 WeakPolarHBondContact CA-O 3.45Å; A72-C154 PolarHBondContact N-O 3.41Å; L149-C154 PolarHBondContact O-N 3.18Å; L149-C154 VanDerWaalsContact O-N 3.16Å; C154-E159 HydrophobicContact CB-CB 3.78Å; C154-V160 HydrophobicContact CB-CB 4.38Å; C154-V160 HydrophobicContact CB-CG2 3.55Å
155E97.1Very high98.2Very high149 Ų14936.1 Ų36.170%0.69618%0.178SC*.SBendtrans-88.5-21.3-177.2-63.7-172.2179.800112.4A72 D153 E159A72-E155 VanDerWaalsContact CA-O 3.31Å; A72-E155 WeakPolarHBondContact CA-O 3.24Å; D153-E155 PolarHBondContact O-N 2.97Å; E155-E159 PolarHBondContact N-OE2 2.96Å
156T98.2Very high98.2Very high61 Ų6140.2 Ų40.237%0.37420%0.197SC..SBendtrans-129150.3-179.171.80000112.3V158 E159 V160T156-V158 PolarHBondContact O-N 3.36Å; T156-V158 VanDerWaalsContact O-N 3.11Å; T156-E159 PolarHBondContact N-OE2 2.86Å; T156-E159 WeakPolarHBondContact O-CB 3.43Å; T156-E159 PolarHBondContact O-N 3.46Å; T156-E159 VanDerWaalsContact OG1-CD 3.26Å; T156-E159 WeakPolarHBondContact OG1-CG 3.31Å; T156-E159 PolarHBondContact OG1-N 3.21Å; T156-E159 PolarHBondContact OG1-OE1 3.45Å; T156-V160 WeakPolarHBondContact O-CG2 3.36Å; T156-V160 PolarHBondContact O-N 2.82Å
157I98.4Very high98.1Very high24 Ų2440.1 Ų40.112%0.12320%0.197CC..Hα-helixtrans-58.8-27176.6-54.4-60.6000112.1F69 A72 E73 E161 C193 R196 L197F69-I157 HydrophobicContact CB-CD1 4.16Å; F69-I157 HydrophobicContact CD2-CD1 3.38Å; F69-I157 HydrophobicContact CE2-CD1 4.02Å; F69-I157 HydrophobicContact CG-CD1 3.97Å; A72-I157 HydrophobicContact CB-CD1 3.88Å; E73-I157 HydrophobicContact CG-CD1 4.12Å; I157-E161 WeakPolarHBondContact O-CB 3.33Å; I157-E161 PolarHBondContact O-N 3.05Å; I157-C193 HydrophobicContact CG2-CB 4.06Å; I157-R196 HydrophobicContact CG1-CB 4.49Å; I157-R196 HydrophobicContact CG2-CB 4.04Å; I157-L197 HydrophobicContact CB-CD2 4.19Å; I157-L197 HydrophobicContact CG2-CD1 4.21Å; I157-L197 HydrophobicContact CG2-CD2 4.05Å; I157-L197 HydrophobicContact CG2-CG 3.84Å
158V98.6Very high98.1Very high70 Ų7041.7 Ų41.742%0.42421%0.205SC..Hα-helixtrans-68.1-44.7176.5178.40000110.8T156 E161 Q162 L197T156-V158 PolarHBondContact O-N 3.36Å; T156-V158 VanDerWaalsContact O-N 3.11Å; V158-E161 PolarHBondContact O-N 3.09Å; V158-Q162 WeakPolarHBondContact O-CG 3.38Å; V158-Q162 PolarHBondContact O-N 2.87Å; V158-L197 HydrophobicContact CG2-CD2 3.77Å
159E98.6Very high98Very high75 Ų7547.9 Ų47.935%0.3523%0.228SC..Hα-helixtrans-63.7-42.8174.3-72.7152.7-138.400111.4C154 E155 T156 E161 Q162 M163C154-E159 HydrophobicContact CB-CB 3.78Å; E155-E159 PolarHBondContact N-OE2 2.96Å; T156-E159 PolarHBondContact N-OE2 2.86Å; T156-E159 WeakPolarHBondContact O-CB 3.43Å; T156-E159 PolarHBondContact O-N 3.46Å; T156-E159 VanDerWaalsContact OG1-CD 3.26Å; T156-E159 WeakPolarHBondContact OG1-CG 3.31Å; T156-E159 PolarHBondContact OG1-N 3.21Å; T156-E159 PolarHBondContact OG1-OE1 3.45Å; E159-E161 VanDerWaalsContact C-N 3.32Å; E159-E161 PolarHBondContact O-N 3.35Å; E159-Q162 PolarHBondContact O-N 3.3Å; E159-M163 WeakPolarHBondContact O-CB 3.46Å; E159-M163 PolarHBondContact O-N 3.37Å
160V98.8Very high97.8Very high0 Ų047.5 Ų47.50%023%0.227CC..Hα-helixtrans-55.9-49.2174.8179.40000110.4F69 A72 A150 C154 T156 Q162 M163 L164F69-V160 HydrophobicContact CD1-CB 4.46Å; F69-V160 HydrophobicContact CD1-CG1 3.49Å; F69-V160 VanDerWaalsContact CD1-CG1 3.49Å; F69-V160 HydrophobicContact CD1-CG2 4.31Å; F69-V160 HydrophobicContact CE1-CG1 3.47Å; F69-V160 VanDerWaalsContact CE1-CG1 3.47Å; F69-V160 HydrophobicContact CG-CG1 4.32Å; F69-V160 HydrophobicContact CG-CG2 4.49Å; F69-V160 HydrophobicContact CZ-CG1 4.31Å; A72-V160 HydrophobicContact CB-CG2 4.13Å; A150-V160 HydrophobicContact CB-CG1 4.37Å; A150-V160 WeakPolarHBondContact O-CG2 3.35Å; C154-V160 HydrophobicContact CB-CB 4.38Å; C154-V160 HydrophobicContact CB-CG2 3.55Å; T156-V160 WeakPolarHBondContact O-CG2 3.36Å; T156-V160 PolarHBondContact O-N 2.82Å; V160-Q162 VanDerWaalsContact C-N 3.32Å; V160-Q162 PolarHBondContact O-N 2.84Å; V160-M163 PolarHBondContact O-N 2.81Å; V160-L164 HydrophobicContact CG1-CD1 3.82Å; V160-L164 HydrophobicContact CG1-CG 4.31Å; V160-L164 WeakPolarHBondContact O-CB 3.31Å; V160-L164 WeakPolarHBondContact O-CG 3.39Å; V160-L164 PolarHBondContact O-N 3.22Å
161E98.7Very high97.5Very high13 Ų1348 Ų486%0.06123%0.229CC..Hα-helixtrans-58.9-44.3178.6-174.7-173.5-167.100111.3I157 V158 E159 L164 R165 L190 C193 L197 K199I157-E161 WeakPolarHBondContact O-CB 3.33Å; I157-E161 PolarHBondContact O-N 3.05Å; V158-E161 PolarHBondContact O-N 3.09Å; E159-E161 VanDerWaalsContact C-N 3.32Å; E159-E161 PolarHBondContact O-N 3.35Å; E161-L164 PolarHBondContact O-N 3.3Å; E161-R165 WeakPolarHBondContact O-CB 3.28Å; E161-R165 VanDerWaalsContact O-CG 3.28Å; E161-R165 WeakPolarHBondContact O-CG 3.45Å; E161-R165 PolarHBondContact O-N 3.11Å; E161-R165 IonicContact OE1-CZ 3.65Å; E161-R165 IonicContact OE1-NE 3.89Å; E161-R165 PolarHBondContact OE1-NE 2.7Å; E161-R165 IonicContact OE1-NH2 2.67Å; E161-R165 PolarHBondContact OE1-NH2 3.37Å; E161-L190 HydrophobicContact CG-CD2 4.14Å; E161-C193 HydrophobicContact CB-CB 4.03Å; E161-C193 HydrophobicContact CG-CB 4.31Å; E161-L197 HydrophobicContact CB-CD1 4.46Å; E161-L197 WeakPolarHBondContact OE2-CD1 3.23Å; E161-K199 IonicContact OE1-NZ 2.89Å; E161-K199 PolarHBondContact OE1-NZ 3.03Å; E161-K199 IonicContact OE2-NZ 3.79Å; E161-K199 PolarHBondContact OE2-NZ 3.33Å
162Q98.6Very high97.3Very high121 Ų12153.6 Ų53.657%0.56526%0.255SS*.Hα-helixtrans-62.8-47.1179.2-71.6174.79.600111.8V158 E159 V160 R165 Q166V158-Q162 WeakPolarHBondContact O-CG 3.38Å; V158-Q162 PolarHBondContact O-N 2.87Å; E159-Q162 PolarHBondContact O-N 3.3Å; V160-Q162 VanDerWaalsContact C-N 3.32Å; V160-Q162 PolarHBondContact O-N 2.84Å; Q162-R165 PolarHBondContact O-N 3.27Å; Q162-Q166 PolarHBondContact O-N 2.73Å
163M98.6Very high97Very high41 Ų4159.2 Ų59.220%0.20228%0.281CS..Hα-helixtrans-62.8-43.8178.3-172.465.272.300111.4M146 L149 A150 E159 V160 R165 Q166 A167M146-M163 HydrophobicContact CB-CG 4.41Å; M146-M163 HydrophobicContact CB-SD 4.13Å; M146-M163 HydrophobicContact CG-SD 4.35Å; M146-M163 VanDerWaalsContact O-CG 3.29Å; M146-M163 WeakPolarHBondContact O-CG 3.49Å; L149-M163 HydrophobicContact CB-CE 4.16Å; L149-M163 HydrophobicContact CB-SD 4.49Å; L149-M163 HydrophobicContact CD1-CE 4.35Å; A150-M163 HydrophobicContact CB-CB 3.89Å; A150-M163 HydrophobicContact CB-CG 3.68Å; E159-M163 WeakPolarHBondContact O-CB 3.46Å; E159-M163 PolarHBondContact O-N 3.37Å; V160-M163 PolarHBondContact O-N 2.81Å; M163-R165 PolarHBondContact O-N 2.97Å; M163-Q166 WeakPolarHBondContact O-CB 3.2Å; M163-Q166 PolarHBondContact O-N 3.4Å; M163-A167 PolarHBondContact O-N 3.49Å
164L98.6Very high96.3Very high0 Ų058.7 Ų58.70%028%0.278CS..Hα-helixtrans-67.4-34.1176.6-71.1175.3000112.9A150 V160 E161 Q166 A167 L168 I186 R189 L190A150-L164 HydrophobicContact CB-CD2 3.77Å; A150-L164 HydrophobicContact CB-CG 3.81Å; V160-L164 HydrophobicContact CG1-CD1 3.82Å; V160-L164 HydrophobicContact CG1-CG 4.31Å; V160-L164 WeakPolarHBondContact O-CB 3.31Å; V160-L164 WeakPolarHBondContact O-CG 3.39Å; V160-L164 PolarHBondContact O-N 3.22Å; E161-L164 PolarHBondContact O-N 3.3Å; L164-Q166 VanDerWaalsContact C-N 3.32Å; L164-A167 PolarHBondContact O-N 3.47Å; L164-L168 WeakPolarHBondContact O-CB 3.44Å; L164-L168 PolarHBondContact O-N 3.44Å; L164-I186 HydrophobicContact CB-CG2 4.46Å; L164-I186 WeakPolarHBondContact O-CG2 3.41Å; L164-R189 HydrophobicContact CD1-CB 3.53Å; L164-L190 HydrophobicContact CB-CD2 3.58Å; L164-L190 HydrophobicContact CB-CG 3.86Å; L164-L190 HydrophobicContact CD1-CD2 4.41Å; L164-L190 HydrophobicContact CD1-CG 4.42Å
165R98.4Very high94.8Very high92 Ų9261.9 Ų61.935%0.34731%0.306SS..Hα-helixtrans-66.9-35.5172.4-75.9-177.4-172.9-87.40.5111.5E161 Q162 M163 R169 L190 E202E161-R165 WeakPolarHBondContact O-CB 3.28Å; E161-R165 VanDerWaalsContact O-CG 3.28Å; E161-R165 WeakPolarHBondContact O-CG 3.45Å; E161-R165 PolarHBondContact O-N 3.11Å; E161-R165 IonicContact OE1-CZ 3.65Å; E161-R165 IonicContact OE1-NE 3.89Å; E161-R165 PolarHBondContact OE1-NE 2.7Å; E161-R165 IonicContact OE1-NH2 2.67Å; E161-R165 PolarHBondContact OE1-NH2 3.37Å; Q162-R165 PolarHBondContact O-N 3.27Å; M163-R165 PolarHBondContact O-N 2.97Å; R165-R169 WeakPolarHBondContact O-CG 3.44Å; R165-R169 PolarHBondContact O-N 2.97Å; R165-R169 VanDerWaalsContact O-N 3.16Å; R165-R169 PolarHBondContact O-NH1 2.58Å; R165-L190 HydrophobicContact CG-CD2 3.78Å; R165-E202 IonicContact CZ-OE1 2.9Å; R165-E202 IonicContact NH1-OE1 3.78Å; R165-E202 IonicContact NH2-OE1 3.05Å; R165-E202 PolarHBondContact NH2-OE1 3.06Å; R165-E202 IonicContact NH2-OE2 3.54Å
166Q97.7Very high93.3Very high87 Ų8756.7 Ų56.741%0.40728%0.28SS..Hα-helixtrans-66.1-44.6172.2-172.6179.2-3.800111.2M146 Q162 M163 L164 L168 R169 A170M146-Q166 HydrophobicContact CE-CG 4.05Å; M146-Q166 HydrophobicContact SD-CB 4.27Å; M146-Q166 HydrophobicContact SD-CG 3.82Å; Q162-Q166 PolarHBondContact O-N 2.73Å; M163-Q166 WeakPolarHBondContact O-CB 3.2Å; M163-Q166 PolarHBondContact O-N 3.4Å; L164-Q166 VanDerWaalsContact C-N 3.32Å; Q166-L168 VanDerWaalsContact C-N 3.3Å; Q166-L168 PolarHBondContact O-N 3.37Å; Q166-R169 PolarHBondContact O-N 2.89Å; Q166-A170 PolarHBondContact O-N 3.08Å
167A97.1Very high91.7Very high0 Ų062.4 Ų62.40%030%0.299CS..Hα-helixtrans-58.2-42175.100000112V143 M146 M163 L164 A170 F171 I186V143-A167 HydrophobicContact CG1-CB 4.24Å; M146-A167 HydrophobicContact CB-CB 3.79Å; M146-A167 VanDerWaalsContact SD-CA 3.53Å; M146-A167 HydrophobicContact SD-CB 4.08Å; M163-A167 PolarHBondContact O-N 3.49Å; L164-A167 PolarHBondContact O-N 3.47Å; A167-A170 PolarHBondContact O-N 2.95Å; A167-F171 VanDerWaalsContact O-CB 3.32Å; A167-F171 WeakPolarHBondContact O-CB 3.32Å; A167-F171 PolarHBondContact O-N 3.45Å; A167-I186 HydrophobicContact CB-CD1 4.04Å; A167-I186 HydrophobicContact CB-CG1 4.45Å
168L96.5Very high90.2Very high32 Ų3267.7 Ų67.717%0.16833%0.328CS..Hα-helixtrans-62.7-46.3176.9-174.659000111.9L164 Q166 F171 E172 L183 I186 R187 L190L164-L168 WeakPolarHBondContact O-CB 3.44Å; L164-L168 PolarHBondContact O-N 3.44Å; Q166-L168 VanDerWaalsContact C-N 3.3Å; Q166-L168 PolarHBondContact O-N 3.37Å; L168-F171 WeakPolarHBondContact O-CB 3.42Å; L168-F171 PolarHBondContact O-N 3.22Å; L168-E172 WeakPolarHBondContact O-CG 3.5Å; L168-E172 PolarHBondContact O-N 3.38Å; L168-L183 HydrophobicContact CD1-CD1 3.61Å; L168-I186 HydrophobicContact CB-CG2 3.89Å; L168-I186 HydrophobicContact CD1-CG2 4.34Å; L168-R187 HydrophobicContact CD1-CG 4.29Å; L168-L190 HydrophobicContact CB-CD1 4.49Å; L168-L190 HydrophobicContact CD2-CD1 3.9Å
169R95.9Very high89.4Confident130 Ų13065.4 Ų65.449%0.49131%0.312SS..Hα-helixtrans-61-48.6177-71.6-170.7-59.5-89.42.8111.7R165 Q166 F171 E172 E173R165-R169 WeakPolarHBondContact O-CG 3.44Å; R165-R169 PolarHBondContact O-N 2.97Å; R165-R169 VanDerWaalsContact O-N 3.16Å; R165-R169 PolarHBondContact O-NH1 2.58Å; Q166-R169 PolarHBondContact O-N 2.89Å; R169-F171 VanDerWaalsContact C-N 3.25Å; R169-F171 PolarHBondContact O-N 3.33Å; R169-E172 PolarHBondContact O-N 3.45Å; R169-E173 WeakPolarHBondContact O-CG 3.42Å; R169-E173 PolarHBondContact O-N 3.32Å
170A94.5Very high88.9Confident3 Ų364.5 Ų64.53%0.02531%0.312CS..Hα-helixtrans-60.9-35.3177.500000112.1N141 V143 M146 Q166 A167 N174N141-A170 HydrophobicContact CB-CB 4.22Å; V143-A170 HydrophobicContact CG2-CB 4.03Å; M146-A170 HydrophobicContact CE-CB 4.16Å; M146-A170 HydrophobicContact SD-CB 4.32Å; Q166-A170 PolarHBondContact O-N 3.08Å; A167-A170 PolarHBondContact O-N 2.95Å; A170-N174 WeakPolarHBondContact O-CB 3.48Å; A170-N174 PolarHBondContact O-N 2.98Å; A170-N174 VanDerWaalsContact O-N 3.11Å; A170-N174 PolarHBondContact O-ND2 3.18Å; A170-N174 VanDerWaalsContact O-ND2 3.07Å
171F93.7Very high88.4Confident10 Ų1067.6 Ų67.64%0.04433%0.329CS..Hα-helixtrans-64.9-45.4175.1-176.4-86.9000112.3V143 A167 L168 R169 N174 R176 Q179 V182 L183V143-F171 HydrophobicContact CG1-CB 4.2Å; V143-F171 HydrophobicContact CG1-CD2 4.29Å; V143-F171 HydrophobicContact CG2-CB 3.96Å; V143-F171 HydrophobicContact CG2-CD2 4.48Å; A167-F171 VanDerWaalsContact O-CB 3.32Å; A167-F171 WeakPolarHBondContact O-CB 3.32Å; A167-F171 PolarHBondContact O-N 3.45Å; L168-F171 WeakPolarHBondContact O-CB 3.42Å; L168-F171 PolarHBondContact O-N 3.22Å; R169-F171 VanDerWaalsContact C-N 3.25Å; R169-F171 PolarHBondContact O-N 3.33Å; F171-N174 PolarHBondContact O-N 3.15Å; F171-R176 HydrophobicContact CE2-CB 4.19Å; F171-R176 HydrophobicContact CZ-CB 4.4Å; F171-R176 WeakPolarHBondContact CZ-O 3.09Å; F171-Q179 HydrophobicContact CE2-CB 3.91Å; F171-Q179 HydrophobicContact CZ-CB 4.31Å; F171-Q179 WeakPolarHBondContact CZ-O 3.49Å; F171-V182 HydrophobicContact CD2-CB 4.29Å; F171-V182 HydrophobicContact CD2-CG1 3.83Å; F171-V182 HydrophobicContact CE2-CB 3.89Å; F171-V182 HydrophobicContact CE2-CG1 3.96Å; F171-L183 HydrophobicContact CD1-CB 4.35Å; F171-L183 HydrophobicContact CD1-CD1 3.98Å; F171-L183 HydrophobicContact CE1-CB 3.72Å; F171-L183 HydrophobicContact CE1-CD1 4.01Å; F171-L183 HydrophobicContact CE1-CD2 4.05Å; F171-L183 HydrophobicContact CE1-CG 4.13Å; F171-L183 HydrophobicContact CE2-CB 4.43Å; F171-L183 HydrophobicContact CZ-CB 3.76Å
172E92.5Very high88.1Confident127 Ų12767.1 Ų67.159%0.59333%0.327SS*.Hα-helixtrans-65.7-40.4179.3-70.9172.1164.200111.9L168 R169 A175L168-E172 WeakPolarHBondContact O-CG 3.5Å; L168-E172 PolarHBondContact O-N 3.38Å; R169-E172 PolarHBondContact O-N 3.45Å; E172-A175 PolarHBondContact O-N 3.14Å
173E90.4Very high87.8Confident136 Ų13662.6 Ų62.664%0.63631%0.306SS*.Hα-helixtrans-66.9-36.9177-73174.6-169.100112.9R169 A175R169-E173 WeakPolarHBondContact O-CG 3.42Å; R169-E173 PolarHBondContact O-N 3.32Å; E173-A175 PolarHBondContact O-N 3.42Å; E173-A175 VanDerWaalsContact O-N 3.12Å
174N82.8Confident87.5Confident52 Ų5261.1 Ų61.128%0.27830%0.299SS..THydrogen-bonded Turntrans-731.2-179.1-75.7-31.3000114.1N141 A170 F171 R176N141-N174 PolarHBondContact O-ND2 2.82Å; N141-N174 VanDerWaalsContact O-ND2 3.15Å; A170-N174 WeakPolarHBondContact O-CB 3.48Å; A170-N174 PolarHBondContact O-N 2.98Å; A170-N174 VanDerWaalsContact O-N 3.11Å; A170-N174 PolarHBondContact O-ND2 3.18Å; A170-N174 VanDerWaalsContact O-ND2 3.07Å; F171-N174 PolarHBondContact O-N 3.15Å; N174-R176 HydrophobicContact CB-CG 3.8Å; N174-R176 WeakPolarHBondContact O-CG 3.45Å; N174-R176 PolarHBondContact O-N 3.09Å
175A67.7Low87.3Confident77 Ų7761.5 Ų61.564%0.63630%0.301SS*.THydrogen-bonded Turntrans51.423-177.400000114.9E172 E173 K177E172-A175 PolarHBondContact O-N 3.14Å; E173-A175 PolarHBondContact O-N 3.42Å; E173-A175 VanDerWaalsContact O-N 3.12Å; A175-K177 PolarHBondContact O-N 2.93Å
176R65.8Low87.2Confident40 Ų4057.1 Ų57.115%0.15128%0.284CS..  trans-7851.8-173.9-67.9178.7179.1-129.21.4113.3D107 Y113 F171 N174 N178 Q179D107-R176 IonicContact OD1-CZ 2.66Å; D107-R176 IonicContact OD1-NH1 3.88Å; D107-R176 PolarHBondContact OD1-NH1 3.38Å; D107-R176 IonicContact OD1-NH2 3.98Å; D107-R176 IonicContact OD2-NH1 3.59Å; Y113-R176 VanDerWaalsContact CZ-CZ 3.46Å; Y113-R176 VanDerWaalsContact CZ-NH2 3.28Å; Y113-R176 PolarHBondContact OH-NH1 2.88Å; Y113-R176 PolarHBondContact OH-NH2 3.46Å; F171-R176 HydrophobicContact CE2-CB 4.19Å; F171-R176 HydrophobicContact CZ-CB 4.4Å; F171-R176 WeakPolarHBondContact CZ-O 3.09Å; N174-R176 HydrophobicContact CB-CG 3.8Å; N174-R176 WeakPolarHBondContact O-CG 3.45Å; N174-R176 PolarHBondContact O-N 3.09Å; R176-N178 PolarHBondContact O-N 3.4Å; R176-Q179 PolarHBondContact O-N 3.13Å
177K63.4Low87.1Confident180 Ų18054.6 Ų54.678%0.78327%0.271SS*.THydrogen-bonded Turntrans-56.2-19179.3-65.5-175179.5179.90113.9A175A175-K177 PolarHBondContact O-N 2.93Å
178N67.6Low87Confident136 Ų13654.8 Ų54.873%0.72727%0.271SS*.THydrogen-bonded Turntrans-81-13.9-179.2-60.6-9.8000113.5L106 R176 T180L106-N178 HydrophobicContact CD1-CB 4.41Å; R176-N178 PolarHBondContact O-N 3.4Å; N178-T180 PolarHBondContact O-N 3.3Å
179Q81.6Confident87Confident21 Ų2153.3 Ų53.310%0.09826%0.264CS..  trans-97.558.3-178.6-70.4-173-27.500111.6D107 F171 R176 N181 V182 L183D107-Q179 PolarHBondContact OD2-NE2 3.38Å; F171-Q179 HydrophobicContact CE2-CB 3.91Å; F171-Q179 HydrophobicContact CZ-CB 4.31Å; F171-Q179 WeakPolarHBondContact CZ-O 3.49Å; R176-Q179 PolarHBondContact O-N 3.13Å; Q179-N181 VanDerWaalsContact C-N 3.27Å; Q179-N181 PolarHBondContact O-N 3.04Å; Q179-V182 HydrophobicContact CB-CB 4.35Å; Q179-V182 HydrophobicContact CB-CG2 4.04Å; Q179-V182 WeakPolarHBondContact O-CB 3.37Å; Q179-V182 PolarHBondContact O-N 2.94Å; Q179-V182 VanDerWaalsContact O-N 3.14Å; Q179-L183 PolarHBondContact O-N 3.43Å
180T87.5Confident87.1Confident56 Ų5647.4 Ų47.434%0.34424%0.242SC..Hα-helixtrans-54.9-38.4-176.2-55.70000113.3N178 V182 L183 I184 F214N178-T180 PolarHBondContact O-N 3.3Å; T180-V182 VanDerWaalsContact C-N 3.34Å; T180-V182 PolarHBondContact O-N 3.19Å; T180-L183 PolarHBondContact O-N 3.01Å; T180-I184 HydrophobicContact CG2-CD1 3.62Å; T180-I184 HydrophobicContact CG2-CG1 4.16Å; T180-I184 WeakPolarHBondContact O-CB 3.13Å; T180-I184 VanDerWaalsContact O-CG1 3.28Å; T180-I184 WeakPolarHBondContact O-CG1 3.28Å; T180-I184 PolarHBondContact O-N 3.28Å; T180-F214 HydrophobicContact CG2-CD1 3.75Å; T180-F214 HydrophobicContact CG2-CE1 3.46Å; T180-F214 VanDerWaalsContact CG2-CE1 3.46Å; T180-F214 HydrophobicContact CG2-CZ 4.26Å
181N89.8Confident87.3Confident66 Ų6647.2 Ų47.235%0.35324%0.241SC..Hα-helixtrans-62.5-39.6-179.7-67.8-17.8000112.5Q179 Y185Q179-N181 VanDerWaalsContact C-N 3.27Å; Q179-N181 PolarHBondContact O-N 3.04Å; N181-Y185 WeakPolarHBondContact O-CB 3.44Å; N181-Y185 PolarHBondContact O-N 2.98Å
182V92Very high87.5Confident3 Ų347 Ų472%0.01824%0.24CC..Hα-helixtrans-63.4-48.4177.6179.40000109.9F102 V143 I147 F171 Q179 T180 I184 Y185 I186F102-V182 HydrophobicContact CD1-CG2 4.02Å; V143-V182 HydrophobicContact CG1-CG1 3.67Å; I147-V182 HydrophobicContact CD1-CG1 3.82Å; F171-V182 HydrophobicContact CD2-CB 4.29Å; F171-V182 HydrophobicContact CD2-CG1 3.83Å; F171-V182 HydrophobicContact CE2-CB 3.89Å; F171-V182 HydrophobicContact CE2-CG1 3.96Å; Q179-V182 HydrophobicContact CB-CB 4.35Å; Q179-V182 HydrophobicContact CB-CG2 4.04Å; Q179-V182 WeakPolarHBondContact O-CB 3.37Å; Q179-V182 PolarHBondContact O-N 2.94Å; Q179-V182 VanDerWaalsContact O-N 3.14Å; T180-V182 VanDerWaalsContact C-N 3.34Å; T180-V182 PolarHBondContact O-N 3.19Å; V182-I184 PolarHBondContact O-N 2.87Å; V182-Y185 PolarHBondContact O-N 3.03Å; V182-I186 HydrophobicContact CG1-CD1 3.94Å; V182-I186 WeakPolarHBondContact O-CG1 3.21Å; V182-I186 PolarHBondContact O-N 3.18Å
183L92.3Very high87.7Confident26 Ų2641 Ų4114%0.13621%0.211CC..Hα-helixtrans-61-47.3179.3-179.959.3000112.1L168 F171 Q179 T180 Y185 I186 R187 F214L168-L183 HydrophobicContact CD1-CD1 3.61Å; F171-L183 HydrophobicContact CD1-CB 4.35Å; F171-L183 HydrophobicContact CD1-CD1 3.98Å; F171-L183 HydrophobicContact CE1-CB 3.72Å; F171-L183 HydrophobicContact CE1-CD1 4.01Å; F171-L183 HydrophobicContact CE1-CD2 4.05Å; F171-L183 HydrophobicContact CE1-CG 4.13Å; F171-L183 HydrophobicContact CE2-CB 4.43Å; F171-L183 HydrophobicContact CZ-CB 3.76Å; Q179-L183 PolarHBondContact O-N 3.43Å; T180-L183 PolarHBondContact O-N 3.01Å; L183-Y185 VanDerWaalsContact C-N 3.3Å; L183-Y185 PolarHBondContact O-N 2.97Å; L183-I186 PolarHBondContact O-N 3.33Å; L183-R187 HydrophobicContact CD1-CG 4.18Å; L183-R187 WeakPolarHBondContact O-CG 3.24Å; L183-R187 PolarHBondContact O-N 3.2Å; L183-F214 HydrophobicContact CD2-CZ 4.09Å
184I92.6Very high88.1Confident9 Ų934.5 Ų34.55%0.04618%0.181CC..Hα-helixtrans-59.8-44177.7-70.1175.8000110T180 V182 R188 L210 F214 S217 T220T180-I184 HydrophobicContact CG2-CD1 3.62Å; T180-I184 HydrophobicContact CG2-CG1 4.16Å; T180-I184 WeakPolarHBondContact O-CB 3.13Å; T180-I184 VanDerWaalsContact O-CG1 3.28Å; T180-I184 WeakPolarHBondContact O-CG1 3.28Å; T180-I184 PolarHBondContact O-N 3.28Å; V182-I184 PolarHBondContact O-N 2.87Å; I184-R188 WeakPolarHBondContact O-CB 3.33Å; I184-R188 PolarHBondContact O-N 3.02Å; I184-L210 HydrophobicContact CG1-CD2 4.46Å; I184-F214 HydrophobicContact CD1-CB 3.94Å; I184-F214 HydrophobicContact CD1-CD1 3.86Å; I184-F214 HydrophobicContact CD1-CD2 3.98Å; I184-F214 HydrophobicContact CD1-CE1 4.39Å; I184-F214 HydrophobicContact CD1-CE2 4.49Å; I184-F214 HydrophobicContact CD1-CG 3.63Å; I184-F214 HydrophobicContact CG1-CD1 4.28Å; I184-F214 HydrophobicContact CG1-CD2 3.7Å; I184-F214 HydrophobicContact CG1-CE1 4.45Å; I184-F214 HydrophobicContact CG1-CE2 3.89Å; I184-F214 HydrophobicContact CG1-CG 3.9Å; I184-F214 HydrophobicContact CG1-CZ 4.27Å; I184-S217 WeakPolarHBondContact CD1-OG 3.4Å; I184-T220 HydrophobicContact CG2-CG2 3.59Å
185Y93.6Very high88.8Confident8 Ų833.2 Ų33.23%0.03117%0.173CC..Hα-helixtrans-60.4-52.4178.8-169.7-80.1000111.7R63 H98 Y101 F102 I147 E151 N181 V182 L183 R187 R188 R189R63-Y185 PolarHBondContact NH2-OH 3.29Å; H98-Y185 PolarHBondContact NE2-OH 3.09Å; Y101-Y185 HydrophobicContact CD2-CD2 4.14Å; Y101-Y185 HydrophobicContact CD2-CE2 4.33Å; F102-Y185 HydrophobicContact CE1-CD1 4.25Å; F102-Y185 HydrophobicContact CE1-CD2 4.03Å; F102-Y185 AromaticContact CE1-CG 3.84Å; F102-Y185 HydrophobicContact CE1-CG 3.84Å; F102-Y185 HydrophobicContact CE2-CE2 4.32Å; F102-Y185 AromaticContact CZ-CD1 3.76Å; F102-Y185 HydrophobicContact CZ-CD1 3.76Å; F102-Y185 AromaticContact CZ-CD2 3.52Å; F102-Y185 HydrophobicContact CZ-CD2 3.52Å; F102-Y185 AromaticContact CZ-CE1 3.92Å; F102-Y185 HydrophobicContact CZ-CE1 3.92Å; F102-Y185 AromaticContact CZ-CE2 3.63Å; F102-Y185 HydrophobicContact CZ-CE2 3.63Å; F102-Y185 AromaticContact CZ-CG 3.58Å; F102-Y185 HydrophobicContact CZ-CG 3.58Å; F102-Y185 AromaticContact CZ-CZ 3.83Å; I147-Y185 HydrophobicContact CG2-CD1 4Å; I147-Y185 HydrophobicContact CG2-CE1 3.62Å; E151-Y185 HydrophobicContact CG-CE1 4.36Å; E151-Y185 PolarHBondContact OE1-OH 2.82Å; N181-Y185 WeakPolarHBondContact O-CB 3.44Å; N181-Y185 PolarHBondContact O-N 2.98Å; V182-Y185 PolarHBondContact O-N 3.03Å; L183-Y185 VanDerWaalsContact C-N 3.3Å; L183-Y185 PolarHBondContact O-N 2.97Å; Y185-R187 PolarHBondContact O-N 3.14Å; Y185-R188 PolarHBondContact O-N 3.08Å; Y185-R189 HydrophobicContact CD1-CG 3.83Å; Y185-R189 HydrophobicContact CE1-CG 3.57Å; Y185-R189 WeakPolarHBondContact O-CG 3.35Å; Y185-R189 PolarHBondContact O-N 3.36Å
186I95.5Very high90.2Very high0 Ų033.5 Ų33.50%016%0.157CC..Hα-helixtrans-57.7-51.3-178.8-65.9165.3000110.4V143 I147 L164 A167 L168 V182 L183 R188 R189 L190V143-I186 HydrophobicContact CG1-CD1 3.59Å; I147-I186 HydrophobicContact CD1-CD1 4.04Å; I147-I186 HydrophobicContact CD1-CG1 3.72Å; I147-I186 HydrophobicContact CG1-CD1 4.39Å; I147-I186 HydrophobicContact CG1-CG1 3.93Å; L164-I186 HydrophobicContact CB-CG2 4.46Å; L164-I186 WeakPolarHBondContact O-CG2 3.41Å; A167-I186 HydrophobicContact CB-CD1 4.04Å; A167-I186 HydrophobicContact CB-CG1 4.45Å; L168-I186 HydrophobicContact CB-CG2 3.89Å; L168-I186 HydrophobicContact CD1-CG2 4.34Å; V182-I186 HydrophobicContact CG1-CD1 3.94Å; V182-I186 WeakPolarHBondContact O-CG1 3.21Å; V182-I186 PolarHBondContact O-N 3.18Å; L183-I186 PolarHBondContact O-N 3.33Å; I186-R188 VanDerWaalsContact C-N 3.33Å; I186-R188 PolarHBondContact O-N 2.97Å; I186-R189 PolarHBondContact O-N 3.25Å; I186-L190 HydrophobicContact CG2-CD1 3.93Å; I186-L190 HydrophobicContact CG2-CG 4.4Å; I186-L190 WeakPolarHBondContact O-CB 3.47Å; I186-L190 WeakPolarHBondContact O-CG 3.24Å; I186-L190 PolarHBondContact O-N 3.19Å
187R95.3Very high91.8Very high34 Ų3434.4 Ų34.413%0.12817%0.165CC..Hα-helixtrans-65-37.1-178.2-72.6178.367.6-179.5-0.2112.2L168 L183 Y185 L190 A191 L210 E213L168-R187 HydrophobicContact CD1-CG 4.29Å; L183-R187 HydrophobicContact CD1-CG 4.18Å; L183-R187 WeakPolarHBondContact O-CG 3.24Å; L183-R187 PolarHBondContact O-N 3.2Å; Y185-R187 PolarHBondContact O-N 3.14Å; R187-L190 PolarHBondContact O-N 2.84Å; R187-A191 PolarHBondContact O-N 3.31Å; R187-L210 HydrophobicContact CB-CD1 3.86Å; R187-L210 HydrophobicContact CB-CD2 3.83Å; R187-L210 HydrophobicContact CB-CG 4.05Å; R187-E213 IonicContact CZ-OE2 3.8Å; R187-E213 IonicContact NH1-OE1 2.97Å; R187-E213 IonicContact NH1-OE2 3.61Å; R187-E213 PolarHBondContact NH1-OE2 3.01Å; R187-E213 IonicContact NH2-OE2 3.67Å
188R95.6Very high93.4Very high4 Ų428.3 Ų28.32%0.01515%0.153CC..Hα-helixtrans-62.3-47.8174.7-171.5-169.781136.811.6110.4R63 I184 Y185 I186 A191 M192 L210 I222R63-R188 VanDerWaalsContact CZ-NH2 3.25Å; I184-R188 WeakPolarHBondContact O-CB 3.33Å; I184-R188 PolarHBondContact O-N 3.02Å; Y185-R188 PolarHBondContact O-N 3.08Å; I186-R188 VanDerWaalsContact C-N 3.33Å; I186-R188 PolarHBondContact O-N 2.97Å; R188-A191 WeakPolarHBondContact O-CB 3.36Å; R188-A191 PolarHBondContact O-N 3.09Å; R188-M192 WeakPolarHBondContact O-CG 3.45Å; R188-M192 PolarHBondContact O-N 2.87Å; R188-L210 HydrophobicContact CB-CD1 4.21Å; R188-I222 HydrophobicContact CG-CD1 3.88Å
189R97.2Very high94.9Very high1 Ų125.3 Ų25.30%0.00413%0.133CC..Hα-helixtrans-68.6-34.4180-65.1-59.1-71.8169.1-22.7112.6S67 L68 F69 E151 L164 Y185 I186 A191 M192 C193S67-R189 PolarHBondContact O-NH1 2.78Å; L68-R189 PolarHBondContact O-NH2 3.26Å; F69-R189 VanDerWaalsContact CD1-CZ 3.42Å; F69-R189 HydrophobicContact CE1-CB 4.27Å; F69-R189 VanDerWaalsContact CG-NH2 3.35Å; E151-R189 WeakPolarHBondContact OE1-CD 3.5Å; E151-R189 WeakPolarHBondContact OE1-CG 3.39Å; E151-R189 IonicContact OE1-CZ 3.23Å; E151-R189 IonicContact OE1-NE 2.74Å; E151-R189 PolarHBondContact OE1-NE 3.34Å; E151-R189 IonicContact OE1-NH2 3.78Å; E151-R189 PolarHBondContact OE1-NH2 2.87Å; E151-R189 IonicContact OE2-CZ 3.98Å; E151-R189 IonicContact OE2-NE 2.77Å; E151-R189 IonicContact OE2-NH2 3.45Å; E151-R189 PolarHBondContact OE2-NH2 2.96Å; L164-R189 HydrophobicContact CD1-CB 3.53Å; Y185-R189 HydrophobicContact CD1-CG 3.83Å; Y185-R189 HydrophobicContact CE1-CG 3.57Å; Y185-R189 WeakPolarHBondContact O-CG 3.35Å; Y185-R189 PolarHBondContact O-N 3.36Å; I186-R189 PolarHBondContact O-N 3.25Å; R189-A191 VanDerWaalsContact C-N 3.35Å; R189-M192 WeakPolarHBondContact O-CB 3.25Å; R189-M192 PolarHBondContact O-N 2.88Å; R189-C193 PolarHBondContact O-N 3.29Å; R189-C193 PolarHBondContact O-SG 2.86Å
190L98.2Very high95.7Very high6 Ų626 Ų263%0.03114%0.138CC..Hα-helixtrans-61.4-41.8168.9-77171.8000112.1E161 L164 R165 L168 I186 R187 M192 C193 A194 L206E161-L190 HydrophobicContact CG-CD2 4.14Å; L164-L190 HydrophobicContact CB-CD2 3.58Å; L164-L190 HydrophobicContact CB-CG 3.86Å; L164-L190 HydrophobicContact CD1-CD2 4.41Å; L164-L190 HydrophobicContact CD1-CG 4.42Å; R165-L190 HydrophobicContact CG-CD2 3.78Å; L168-L190 HydrophobicContact CB-CD1 4.49Å; L168-L190 HydrophobicContact CD2-CD1 3.9Å; I186-L190 HydrophobicContact CG2-CD1 3.93Å; I186-L190 HydrophobicContact CG2-CG 4.4Å; I186-L190 WeakPolarHBondContact O-CB 3.47Å; I186-L190 WeakPolarHBondContact O-CG 3.24Å; I186-L190 PolarHBondContact O-N 3.19Å; R187-L190 PolarHBondContact O-N 2.84Å; L190-M192 VanDerWaalsContact C-N 3.28Å; L190-M192 PolarHBondContact O-N 3.18Å; L190-C193 WeakPolarHBondContact O-CB 3.4Å; L190-C193 PolarHBondContact O-N 3.24Å; L190-A194 PolarHBondContact O-N 3.42Å; L190-L206 HydrophobicContact CB-CD1 4.32Å
191A97.6Very high96.2Very high0 Ų028.5 Ų28.50%015%0.152CC..Hα-helixtrans-61.7-38.9174.600000111.8R187 R188 R189 A194 R195 L206 M207R187-A191 PolarHBondContact O-N 3.31Å; R188-A191 WeakPolarHBondContact O-CB 3.36Å; R188-A191 PolarHBondContact O-N 3.09Å; R189-A191 VanDerWaalsContact C-N 3.35Å; A191-A194 PolarHBondContact O-N 3.42Å; A191-R195 PolarHBondContact O-N 2.94Å; A191-L206 HydrophobicContact CB-CB 3.73Å; A191-L206 HydrophobicContact CB-CD1 4.21Å; A191-M207 HydrophobicContact CB-CE 3.88Å; A191-M207 HydrophobicContact CB-CG 3.81Å
192M97.6Very high96.6Very high5 Ų528.1 Ų28.13%0.02515%0.149CC..Hα-helixtrans-66.3-41.9173.6-63.9-54.2-68.700112.1M66 F69 R188 R189 L190 A194 R195 R196 M207 N225M66-M192 HydrophobicContact CE-CE 4Å; M66-M192 HydrophobicContact SD-CE 3.91Å; F69-M192 HydrophobicContact CE2-CB 4.15Å; F69-M192 HydrophobicContact CZ-CB 3.9Å; R188-M192 WeakPolarHBondContact O-CG 3.45Å; R188-M192 PolarHBondContact O-N 2.87Å; R189-M192 WeakPolarHBondContact O-CB 3.25Å; R189-M192 PolarHBondContact O-N 2.88Å; L190-M192 VanDerWaalsContact C-N 3.28Å; L190-M192 PolarHBondContact O-N 3.18Å; M192-A194 VanDerWaalsContact C-N 3.34Å; M192-A194 PolarHBondContact O-N 2.91Å; M192-R195 PolarHBondContact O-N 3.37Å; M192-R196 WeakPolarHBondContact O-CB 3.45Å; M192-R196 VanDerWaalsContact O-CG 3.25Å; M192-R196 WeakPolarHBondContact O-CG 3.28Å; M192-R196 PolarHBondContact O-N 3.37Å; M192-M207 HydrophobicContact SD-CE 4.14Å; M192-N225 HydrophobicContact SD-CB 4.09Å; M192-N225 PolarHBondContact SD-ND2 3.06Å
193C98.5Very high96.9Very high0 Ų028 Ų280%015%0.148CC..Hα-helixtrans-57.4-48.7172.8-65.80000110.8F69 I157 E161 R189 L190 R195 R196 L197F69-C193 WeakPolarHBondContact CZ-SG 3.43Å; I157-C193 HydrophobicContact CG2-CB 4.06Å; E161-C193 HydrophobicContact CB-CB 4.03Å; E161-C193 HydrophobicContact CG-CB 4.31Å; R189-C193 PolarHBondContact O-N 3.29Å; R189-C193 PolarHBondContact O-SG 2.86Å; L190-C193 WeakPolarHBondContact O-CB 3.4Å; L190-C193 PolarHBondContact O-N 3.24Å; C193-R195 VanDerWaalsContact C-N 3.34Å; C193-R195 PolarHBondContact O-N 2.9Å; C193-R196 PolarHBondContact O-N 3.05Å; C193-R196 VanDerWaalsContact O-N 3.12Å; C193-L197 WeakPolarHBondContact O-CB 3.14Å; C193-L197 VanDerWaalsContact O-CG 3.27Å; C193-L197 WeakPolarHBondContact O-CG 3.32Å; C193-L197 PolarHBondContact O-N 3.38Å
194A98.6Very high97.2Very high0 Ų027.3 Ų27.30%015%0.145CC..Hα-helixtrans-58-44.9178.100000111.7L190 A191 M192 R196 L197 G198 K199 E202 A203L190-A194 PolarHBondContact O-N 3.42Å; A191-A194 PolarHBondContact O-N 3.42Å; M192-A194 VanDerWaalsContact C-N 3.34Å; M192-A194 PolarHBondContact O-N 2.91Å; A194-R196 VanDerWaalsContact C-N 3.35Å; A194-R196 PolarHBondContact O-N 3.46Å; A194-L197 PolarHBondContact O-N 3.2Å; A194-G198 PolarHBondContact O-N 2.82Å; A194-K199 HydrophobicContact CB-CB 4.14Å; A194-K199 WeakPolarHBondContact O-CA 3.24Å; A194-K199 WeakPolarHBondContact O-CB 3.32Å; A194-K199 PolarHBondContact O-N 2.93Å; A194-E202 HydrophobicContact CB-CB 4.38Å; A194-E202 HydrophobicContact CB-CG 4.3Å; A194-A203 HydrophobicContact CB-CB 3.9Å
195R97.8Very high97.5Very high26 Ų2633.4 Ų33.410%0.09817%0.171CC..Hα-helixtrans-58.9-44.7174.7170.455.7-173.4108.7-9111.9A191 M192 C193 G198 A203 E228 V229 E232A191-R195 PolarHBondContact O-N 2.94Å; M192-R195 PolarHBondContact O-N 3.37Å; C193-R195 VanDerWaalsContact C-N 3.34Å; C193-R195 PolarHBondContact O-N 2.9Å; R195-G198 PolarHBondContact O-N 3.41Å; R195-A203 HydrophobicContact CB-CB 4.08Å; R195-E228 IonicContact CZ-OE1 3.92Å; R195-E228 IonicContact CZ-OE2 3.91Å; R195-E228 IonicContact NE-OE1 3.62Å; R195-E228 PolarHBondContact NE-OE1 2.66Å; R195-E228 IonicContact NE-OE2 3.18Å; R195-E228 PolarHBondContact NE-OE2 3.28Å; R195-E228 IonicContact NH2-OE1 2.8Å; R195-E228 PolarHBondContact NH2-OE1 2.64Å; R195-E228 IonicContact NH2-OE2 2.7Å; R195-V229 HydrophobicContact CB-CG2 4.14Å; R195-V229 HydrophobicContact CG-CG2 3.88Å; R195-E232 IonicContact CZ-OE1 3.03Å; R195-E232 IonicContact NH1-OE1 2.79Å; R195-E232 IonicContact NH2-OE1 3.81Å; R195-E232 PolarHBondContact NH2-OE1 3.25Å; R195-E232 IonicContact NH2-OE2 2.69Å
196R97Very high97.7Very high83 Ų8334.6 Ų34.631%0.31318%0.177SC..Hα-helixtrans-70.9-28.5-178.9-68.4-54.9-62.2-78.1-4.5114.3E73 I157 M192 C193 A194 G198E73-R196 IonicContact OE1-CZ 3.83Å; E73-R196 IonicContact OE1-NH1 3.48Å; E73-R196 PolarHBondContact OE1-NH1 3.29Å; E73-R196 IonicContact OE1-NH2 3.65Å; E73-R196 PolarHBondContact OE1-NH2 3.02Å; E73-R196 IonicContact OE2-CZ 2.79Å; E73-R196 IonicContact OE2-NH1 3.59Å; E73-R196 PolarHBondContact OE2-NH1 3.46Å; E73-R196 IonicContact OE2-NH2 2.7Å; I157-R196 HydrophobicContact CG1-CB 4.49Å; I157-R196 HydrophobicContact CG2-CB 4.04Å; M192-R196 WeakPolarHBondContact O-CB 3.45Å; M192-R196 VanDerWaalsContact O-CG 3.25Å; M192-R196 WeakPolarHBondContact O-CG 3.28Å; M192-R196 PolarHBondContact O-N 3.37Å; C193-R196 PolarHBondContact O-N 3.05Å; C193-R196 VanDerWaalsContact O-N 3.12Å; A194-R196 VanDerWaalsContact C-N 3.35Å; A194-R196 PolarHBondContact O-N 3.46Å; R196-G198 VanDerWaalsContact C-N 3.27Å
197L98.1Very high97.7Very high59 Ų5934.6 Ų34.631%0.30918%0.177SC..THydrogen-bonded Turntrans-86.14.3174.3-63.9170.6000112.8I157 V158 E161 C193 A194 K199I157-L197 HydrophobicContact CB-CD2 4.19Å; I157-L197 HydrophobicContact CG2-CD1 4.21Å; I157-L197 HydrophobicContact CG2-CD2 4.05Å; I157-L197 HydrophobicContact CG2-CG 3.84Å; V158-L197 HydrophobicContact CG2-CD2 3.77Å; E161-L197 HydrophobicContact CB-CD1 4.46Å; E161-L197 WeakPolarHBondContact OE2-CD1 3.23Å; C193-L197 WeakPolarHBondContact O-CB 3.14Å; C193-L197 VanDerWaalsContact O-CG 3.27Å; C193-L197 WeakPolarHBondContact O-CG 3.32Å; C193-L197 PolarHBondContact O-N 3.38Å; A194-L197 PolarHBondContact O-N 3.2Å; L197-K199 VanDerWaalsContact C-N 3.26Å; L197-K199 HydrophobicContact CB-CD 4.37Å; L197-K199 HydrophobicContact CB-CG 4.19Å; L197-K199 PolarHBondContact O-N 3.12Å
198G97.9Very high97.7Very high51 Ų5138.1 Ų38.153%0.52619%0.191SC..THydrogen-bonded Turntrans75.88.2-179.400000114.7A194 R195 R196 L200A194-G198 PolarHBondContact O-N 2.82Å; R195-G198 PolarHBondContact O-N 3.41Å; R196-G198 VanDerWaalsContact C-N 3.27Å; G198-L200 PolarHBondContact O-N 3.21Å
199K98.5Very high97.7Very high74 Ų7440.9 Ų40.932%0.32221%0.206SC..  trans-80.659.7176.2-51.2176.6-162.9172.50110.1E161 A194 L197 T201 E202 A203E161-K199 IonicContact OE1-NZ 2.89Å; E161-K199 PolarHBondContact OE1-NZ 3.03Å; E161-K199 IonicContact OE2-NZ 3.79Å; E161-K199 PolarHBondContact OE2-NZ 3.33Å; A194-K199 HydrophobicContact CB-CB 4.14Å; A194-K199 WeakPolarHBondContact O-CA 3.24Å; A194-K199 WeakPolarHBondContact O-CB 3.32Å; A194-K199 PolarHBondContact O-N 2.93Å; L197-K199 VanDerWaalsContact C-N 3.26Å; L197-K199 HydrophobicContact CB-CD 4.37Å; L197-K199 HydrophobicContact CB-CG 4.19Å; L197-K199 PolarHBondContact O-N 3.12Å; K199-T201 PolarHBondContact O-N 3.39Å; K199-E202 HydrophobicContact CB-CB 4.16Å; K199-E202 VanDerWaalsContact CD-OE2 3.25Å; K199-E202 WeakPolarHBondContact CD-OE2 3.48Å; K199-E202 PolarHBondContact O-N 3.18Å; K199-A203 PolarHBondContact O-N 2.93Å
200L98.5Very high97.5Very high36 Ų3641.2 Ų41.219%0.18821%0.208CC..Hα-helixtrans-62-39.2-167.2-54.2-176.1000113.2G198 E202 A203 V204 V229 E232 M233G198-L200 PolarHBondContact O-N 3.21Å; L200-E202 PolarHBondContact O-N 3.41Å; L200-A203 WeakPolarHBondContact O-CB 3.33Å; L200-A203 PolarHBondContact O-N 2.87Å; L200-V204 WeakPolarHBondContact O-CG2 3.49Å; L200-V204 PolarHBondContact O-N 2.83Å; L200-V229 HydrophobicContact CB-CG1 4.18Å; L200-V229 HydrophobicContact CD2-CG1 4.26Å; L200-E232 HydrophobicContact CD1-CB 4.36Å; L200-E232 HydrophobicContact CD1-CG 3.77Å; L200-E232 HydrophobicContact CD2-CG 4.34Å; L200-M233 HydrophobicContact CB-CG 3.72Å; L200-M233 HydrophobicContact CB-SD 3.84Å; L200-M233 HydrophobicContact CD1-CG 3.64Å; L200-M233 HydrophobicContact CG-CG 4.32Å
201T98.5Very high97.2Very high107 Ų10742.6 Ų42.666%0.65622%0.215SC*.Hα-helixtrans-64.6-39.9178.251.50000112.3K199 K205 M233K199-T201 PolarHBondContact O-N 3.39Å; T201-K205 WeakPolarHBondContact O-CB 3.33Å; T201-K205 PolarHBondContact O-N 2.98Å; T201-M233 HydrophobicContact CG2-CE 4.09Å
202E98.5Very high96.9Very high59 Ų5951 Ų5128%0.27625%0.252SS..Hα-helixtrans-65.9-44.4173.9-175.9178.5-16900110.8R165 A194 K199 L200 V204 K205 L206R165-E202 IonicContact CZ-OE1 2.9Å; R165-E202 IonicContact NH1-OE1 3.78Å; R165-E202 IonicContact NH2-OE1 3.05Å; R165-E202 PolarHBondContact NH2-OE1 3.06Å; R165-E202 IonicContact NH2-OE2 3.54Å; A194-E202 HydrophobicContact CB-CB 4.38Å; A194-E202 HydrophobicContact CB-CG 4.3Å; K199-E202 HydrophobicContact CB-CB 4.16Å; K199-E202 VanDerWaalsContact CD-OE2 3.25Å; K199-E202 WeakPolarHBondContact CD-OE2 3.48Å; K199-E202 PolarHBondContact O-N 3.18Å; L200-E202 PolarHBondContact O-N 3.41Å; E202-V204 PolarHBondContact O-N 3.39Å; E202-K205 PolarHBondContact O-N 3.26Å; E202-L206 HydrophobicContact CG-CD1 4.13Å; E202-L206 WeakPolarHBondContact O-CG 3.42Å; E202-L206 PolarHBondContact O-N 2.75Å
203A98.5Very high96.6Very high0 Ų055.8 Ų55.80%027%0.273CS..Hα-helixtrans-58.1-49.8176.500000111.7A194 R195 K199 L200 K205 L206 M207 V229A194-A203 HydrophobicContact CB-CB 3.9Å; R195-A203 HydrophobicContact CB-CB 4.08Å; K199-A203 PolarHBondContact O-N 2.93Å; L200-A203 WeakPolarHBondContact O-CB 3.33Å; L200-A203 PolarHBondContact O-N 2.87Å; A203-K205 VanDerWaalsContact C-N 3.31Å; A203-K205 PolarHBondContact O-N 3.4Å; A203-L206 PolarHBondContact O-N 2.95Å; A203-M207 HydrophobicContact CB-CE 4.39Å; A203-M207 WeakPolarHBondContact O-CG 3.45Å; A203-M207 PolarHBondContact O-N 3.2Å; A203-V229 HydrophobicContact CB-CG1 4.26Å
204V98.4Very high96.1Very high11 Ų1157.5 Ų57.57%0.06728%0.281CS..Hα-helixtrans-58.8-43176.9169.90000111.4L200 E202 M207 R208 L226 V229 L230 M233L200-V204 WeakPolarHBondContact O-CG2 3.49Å; L200-V204 PolarHBondContact O-N 2.83Å; E202-V204 PolarHBondContact O-N 3.39Å; V204-M207 PolarHBondContact O-N 3.11Å; V204-R208 HydrophobicContact CG1-CG 4.24Å; V204-R208 WeakPolarHBondContact O-CB 3.43Å; V204-R208 VanDerWaalsContact O-CG 3.32Å; V204-R208 WeakPolarHBondContact O-CG 3.41Å; V204-R208 PolarHBondContact O-N 3.14Å; V204-L226 HydrophobicContact CB-CD1 4.43Å; V204-L226 HydrophobicContact CG1-CD1 4.06Å; V204-L226 HydrophobicContact CG2-CD1 4.21Å; V204-V229 HydrophobicContact CG2-CB 4.23Å; V204-V229 HydrophobicContact CG2-CG1 3.57Å; V204-L230 HydrophobicContact CG2-CD2 4.21Å; V204-M233 HydrophobicContact CG2-SD 3.67Å
205K98.3Very high95.4Very high137 Ų13761 Ų6160%0.59630%0.303SS*.Hα-helixtrans-60.3-51.9177.6-176.7-177.1175.9-172.90111T201 E202 A203 M207 R208 D209T201-K205 WeakPolarHBondContact O-CB 3.33Å; T201-K205 PolarHBondContact O-N 2.98Å; E202-K205 PolarHBondContact O-N 3.26Å; A203-K205 VanDerWaalsContact C-N 3.31Å; A203-K205 PolarHBondContact O-N 3.4Å; K205-M207 VanDerWaalsContact C-N 3.32Å; K205-M207 PolarHBondContact O-N 3.49Å; K205-R208 PolarHBondContact O-N 3.31Å; K205-D209 WeakPolarHBondContact O-CB 3.47Å; K205-D209 PolarHBondContact O-N 2.89Å
206L97.2Very high94.3Very high33 Ų3365.5 Ų65.517%0.17333%0.334CS..Hα-helixtrans-58.4-42.6179.4-71.5169.6000112.2L190 A191 E202 A203 L210L190-L206 HydrophobicContact CB-CD1 4.32Å; A191-L206 HydrophobicContact CB-CB 3.73Å; A191-L206 HydrophobicContact CB-CD1 4.21Å; E202-L206 HydrophobicContact CG-CD1 4.13Å; E202-L206 WeakPolarHBondContact O-CG 3.42Å; E202-L206 PolarHBondContact O-N 2.75Å; A203-L206 PolarHBondContact O-N 2.95Å; L206-L210 WeakPolarHBondContact O-CG 3.17Å; L206-L210 PolarHBondContact O-N 3.41Å
207M95.8Very high92.9Very high0 Ų062.5 Ų62.50%033%0.326CS..Hα-helixtrans-67-44.3178.4-66.1174-174.900112.1A191 M192 A203 V204 K205 L210 I211 I222 N225 L226 V229A191-M207 HydrophobicContact CB-CE 3.88Å; A191-M207 HydrophobicContact CB-CG 3.81Å; M192-M207 HydrophobicContact SD-CE 4.14Å; A203-M207 HydrophobicContact CB-CE 4.39Å; A203-M207 WeakPolarHBondContact O-CG 3.45Å; A203-M207 PolarHBondContact O-N 3.2Å; V204-M207 PolarHBondContact O-N 3.11Å; K205-M207 VanDerWaalsContact C-N 3.32Å; K205-M207 PolarHBondContact O-N 3.49Å; M207-L210 PolarHBondContact O-N 3.16Å; M207-I211 WeakPolarHBondContact O-CD1 3.45Å; M207-I211 VanDerWaalsContact O-CG1 3.29Å; M207-I211 WeakPolarHBondContact O-CG1 3.21Å; M207-I211 PolarHBondContact O-N 3.47Å; M207-I222 HydrophobicContact CB-CD1 4.25Å; M207-I222 HydrophobicContact CB-CG1 4.18Å; M207-I222 HydrophobicContact CG-CD1 3.73Å; M207-I222 HydrophobicContact CG-CG1 4.21Å; M207-N225 HydrophobicContact CE-CB 3.71Å; M207-N225 HydrophobicContact SD-CB 3.91Å; M207-L226 HydrophobicContact CB-CB 4.34Å; M207-L226 HydrophobicContact CB-CD1 4.27Å; M207-L226 HydrophobicContact SD-CB 4.13Å; M207-L226 HydrophobicContact SD-CD1 4.45Å; M207-V229 HydrophobicContact CE-CG2 3.63Å; M207-V229 HydrophobicContact SD-CG2 3.85Å
208R95.4Very high91.1Very high109 Ų10963.3 Ų63.341%0.41133%0.326SS..Hα-helixtrans-65.3-40.3177.3-75179.9175.6172.80.1111.9V204 K205 I211 K212 L226 D238V204-R208 HydrophobicContact CG1-CG 4.24Å; V204-R208 WeakPolarHBondContact O-CB 3.43Å; V204-R208 VanDerWaalsContact O-CG 3.32Å; V204-R208 WeakPolarHBondContact O-CG 3.41Å; V204-R208 PolarHBondContact O-N 3.14Å; K205-R208 PolarHBondContact O-N 3.31Å; R208-I211 PolarHBondContact O-N 2.85Å; R208-K212 WeakPolarHBondContact O-CB 3.46Å; R208-K212 PolarHBondContact O-N 3.11Å; R208-L226 HydrophobicContact CG-CD1 4.41Å; R208-L226 HydrophobicContact CG-CD2 4.22Å; R208-D238 IonicContact CZ-OD2 2.71Å; R208-D238 IonicContact NH2-OD2 2.86Å; R208-D238 PolarHBondContact NH2-OD2 2.79Å
209D95.2Very high89.1Confident62 Ų6266.4 Ų66.433%0.33233%0.328SS..Hα-helixtrans-63.6-42.6177.2-69.7-18.8000110.9K205 K212 E213K205-D209 WeakPolarHBondContact O-CB 3.47Å; K205-D209 PolarHBondContact O-N 2.89Å; D209-K212 PolarHBondContact O-N 2.66Å; D209-E213 VanDerWaalsContact O-CB 3.32Å; D209-E213 WeakPolarHBondContact O-CB 3.43Å; D209-E213 PolarHBondContact O-N 2.54Å
210L93.4Very high87.6Confident7 Ų764 Ų644%0.03732%0.319CS..Hα-helixtrans-60.9-46174.1-82.6172.9000112.9I184 R187 R188 L206 M207 K212 E213 F214I184-L210 HydrophobicContact CG1-CD2 4.46Å; R187-L210 HydrophobicContact CB-CD1 3.86Å; R187-L210 HydrophobicContact CB-CD2 3.83Å; R187-L210 HydrophobicContact CB-CG 4.05Å; R188-L210 HydrophobicContact CB-CD1 4.21Å; L206-L210 WeakPolarHBondContact O-CG 3.17Å; L206-L210 PolarHBondContact O-N 3.41Å; M207-L210 PolarHBondContact O-N 3.16Å; L210-K212 VanDerWaalsContact C-N 3.29Å; L210-K212 PolarHBondContact O-N 3.03Å; L210-E213 PolarHBondContact O-N 3.3Å; L210-F214 HydrophobicContact CD2-CD2 3.89Å; L210-F214 HydrophobicContact CD2-CE2 4.08Å; L210-F214 PolarHBondContact O-N 3.15Å
211I91.6Very high87Confident36 Ų3664.1 Ų64.119%0.18532%0.32CS..Hα-helixtrans-61-40.6178.1-70.3162.6000111M207 R208 P215 I222 H223 L226M207-I211 WeakPolarHBondContact O-CD1 3.45Å; M207-I211 VanDerWaalsContact O-CG1 3.29Å; M207-I211 WeakPolarHBondContact O-CG1 3.21Å; M207-I211 PolarHBondContact O-N 3.47Å; R208-I211 PolarHBondContact O-N 2.85Å; I211-P215 WeakPolarHBondContact O-CA 3.26Å; I211-I222 HydrophobicContact CD1-CG2 4.1Å; I211-I222 HydrophobicContact CG1-CG2 3.48Å; I211-I222 VanDerWaalsContact CG1-CG2 3.48Å; I211-H223 WeakPolarHBondContact CD1-ND1 3.46Å; I211-L226 HydrophobicContact CD1-CD2 3.73Å
212K91.7Very high86.6Confident177 Ų17759.3 Ų59.377%0.7729%0.29SS*.Hα-helixtrans-70-41.6-179.1-177.9-177.2175.1-173.70112.2R208 D209 L210R208-K212 WeakPolarHBondContact O-CB 3.46Å; R208-K212 PolarHBondContact O-N 3.11Å; D209-K212 PolarHBondContact O-N 2.66Å; L210-K212 VanDerWaalsContact C-N 3.29Å; L210-K212 PolarHBondContact O-N 3.03Å
213E91Very high86.3Confident104 Ų10458.3 Ų58.349%0.48629%0.286SS..Hα-helixtrans-79.9-34.2-175.9-167.5175.8157.500112.4R187 D209 L210 P215R187-E213 IonicContact CZ-OE2 3.8Å; R187-E213 IonicContact NH1-OE1 2.97Å; R187-E213 IonicContact NH1-OE2 3.61Å; R187-E213 PolarHBondContact NH1-OE2 3.01Å; R187-E213 IonicContact NH2-OE2 3.67Å; D209-E213 VanDerWaalsContact O-CB 3.32Å; D209-E213 WeakPolarHBondContact O-CB 3.43Å; D209-E213 PolarHBondContact O-N 2.54Å; L210-E213 PolarHBondContact O-N 3.3Å; E213-P215 VanDerWaalsContact C-CD 3.42Å; E213-P215 WeakPolarHBondContact O-CD 3.23Å
214F89.3Confident86.1Confident37 Ų3759.2 Ų59.216%0.16229%0.29CS..  trans-125.262.1-177.7-53-74.1000112.1T180 L183 I184 L210 T216 S217T180-F214 HydrophobicContact CG2-CD1 3.75Å; T180-F214 HydrophobicContact CG2-CE1 3.46Å; T180-F214 VanDerWaalsContact CG2-CE1 3.46Å; T180-F214 HydrophobicContact CG2-CZ 4.26Å; L183-F214 HydrophobicContact CD2-CZ 4.09Å; I184-F214 HydrophobicContact CD1-CB 3.94Å; I184-F214 HydrophobicContact CD1-CD1 3.86Å; I184-F214 HydrophobicContact CD1-CD2 3.98Å; I184-F214 HydrophobicContact CD1-CE1 4.39Å; I184-F214 HydrophobicContact CD1-CE2 4.49Å; I184-F214 HydrophobicContact CD1-CG 3.63Å; I184-F214 HydrophobicContact CG1-CD1 4.28Å; I184-F214 HydrophobicContact CG1-CD2 3.7Å; I184-F214 HydrophobicContact CG1-CE1 4.45Å; I184-F214 HydrophobicContact CG1-CE2 3.89Å; I184-F214 HydrophobicContact CG1-CG 3.9Å; I184-F214 HydrophobicContact CG1-CZ 4.27Å; L210-F214 HydrophobicContact CD2-CD2 3.89Å; L210-F214 HydrophobicContact CD2-CE2 4.08Å; L210-F214 PolarHBondContact O-N 3.15Å; F214-T216 PolarHBondContact O-N 3.04Å; F214-T216 VanDerWaalsContact O-N 3.13Å; F214-S217 WeakPolarHBondContact O-CB 3.1Å; F214-S217 PolarHBondContact O-N 3.27Å
215P82Confident85.9Confident72 Ų7258.7 Ų58.747%0.46829%0.287SS..THydrogen-bonded Turntrans-63-24.1-174.626-35.4000113.5I211 E213 Y218I211-P215 WeakPolarHBondContact O-CA 3.26Å; E213-P215 VanDerWaalsContact C-CD 3.42Å; E213-P215 WeakPolarHBondContact O-CD 3.23Å; P215-Y218 WeakPolarHBondContact O-CE1 3.46Å; P215-Y218 WeakPolarHBondContact O-CE2 3.45Å; P215-Y218 PolarHBondContact O-OH 3.19Å
216T75.2Confident85.9Confident121 Ų12152.4 Ų52.474%0.74226%0.26SS*.THydrogen-bonded Turntrans-88.3-6.2177.453.40000113.3F214 Y218F214-T216 PolarHBondContact O-N 3.04Å; F214-T216 VanDerWaalsContact O-N 3.13Å; T216-Y218 WeakPolarHBondContact O-CD2 3.34Å; T216-Y218 PolarHBondContact O-N 3.35Å
217S68.4Low85.9Confident20 Ų2050.9 Ų50.914%0.1425%0.251CS..  trans-84.253.4178.5-163.20000112.2I184 F214 M219 T220I184-S217 WeakPolarHBondContact CD1-OG 3.4Å; F214-S217 WeakPolarHBondContact O-CB 3.1Å; F214-S217 PolarHBondContact O-N 3.27Å; S217-M219 PolarHBondContact O-N 3.08Å; S217-M219 VanDerWaalsContact O-N 3.09Å; S217-T220 PolarHBondContact O-N 3.45Å; S217-T220 PolarHBondContact O-OG1 2.88Å
218Y60.6Low85.9Confident77 Ų7751 Ų5130%0.30225%0.252SS..G310 helixtrans-60.1-16.8171.2-57.5-70.1000112.3P215 T216 T220 N221 L251P215-Y218 WeakPolarHBondContact O-CE1 3.46Å; P215-Y218 WeakPolarHBondContact O-CE2 3.45Å; P215-Y218 PolarHBondContact O-OH 3.19Å; T216-Y218 WeakPolarHBondContact O-CD2 3.34Å; T216-Y218 PolarHBondContact O-N 3.35Å; Y218-T220 PolarHBondContact O-N 2.91Å; Y218-N221 PolarHBondContact O-N 3.29Å; Y218-N221 PolarHBondContact O-OD1 3.5Å; Y218-L251 HydrophobicContact CD1-CD1 3.89Å; Y218-L251 HydrophobicContact CD1-CD2 3.7Å; Y218-L251 HydrophobicContact CD1-CG 4.44Å; Y218-L251 HydrophobicContact CD2-CD2 4.44Å; Y218-L251 HydrophobicContact CE1-CD1 3.89Å; Y218-L251 HydrophobicContact CE1-CD2 4Å; Y218-L251 HydrophobicContact CE1-CG 4.47Å; Y218-L251 HydrophobicContact CG-CD2 3.93Å
219M55.4Low86.1Confident116 Ų11645.8 Ų45.857%0.57123%0.232SC*.G310 helixtrans-52.2-24.4178.9-70.1177.762.900114Y101 S217Y101-M219 HydrophobicContact CE1-CE 4.24Å; S217-M219 PolarHBondContact O-N 3.08Å; S217-M219 VanDerWaalsContact O-N 3.09Å
220T66.3Low86.2Confident24 Ų2442.9 Ų42.915%0.14722%0.217CC..G310 helixtrans-95.2-9.1-177.857.90000115I184 S217 Y218 I222I184-T220 HydrophobicContact CG2-CG2 3.59Å; S217-T220 PolarHBondContact O-N 3.45Å; S217-T220 PolarHBondContact O-OG1 2.88Å; Y218-T220 PolarHBondContact O-N 2.91Å; T220-I222 PolarHBondContact O-N 3.46Å; T220-I222 VanDerWaalsContact O-N 3.09Å
221N85.8Confident86.5Confident38 Ų3842.6 Ų42.620%0.20322%0.215CC..  trans46.134.6-171.6-65.4-45.4000113.4P65 Y218 H223 E224P65-N221 HydrophobicContact CB-CB 3.97Å; P65-N221 HydrophobicContact CG-CB 4.04Å; Y218-N221 PolarHBondContact O-N 3.29Å; Y218-N221 PolarHBondContact O-OD1 3.5Å; N221-H223 PolarHBondContact O-N 3.3Å; N221-E224 HydrophobicContact CB-CG 4.4Å; N221-E224 WeakPolarHBondContact O-CB 3.39Å; N221-E224 PolarHBondContact O-N 2.71Å
222I91.2Very high86.8Confident6 Ų643.6 Ų43.63%0.03122%0.219CC..Hα-helixtrans-57.7-23.8-175.8-170.355.7000113.7R188 M207 I211 T220 E224 N225 L226R188-I222 HydrophobicContact CG-CD1 3.88Å; M207-I222 HydrophobicContact CB-CD1 4.25Å; M207-I222 HydrophobicContact CB-CG1 4.18Å; M207-I222 HydrophobicContact CG-CD1 3.73Å; M207-I222 HydrophobicContact CG-CG1 4.21Å; I211-I222 HydrophobicContact CD1-CG2 4.1Å; I211-I222 HydrophobicContact CG1-CG2 3.48Å; I211-I222 VanDerWaalsContact CG1-CG2 3.48Å; T220-I222 PolarHBondContact O-N 3.46Å; T220-I222 VanDerWaalsContact O-N 3.09Å; I222-E224 VanDerWaalsContact C-N 3.26Å; I222-E224 PolarHBondContact O-N 3.02Å; I222-N225 HydrophobicContact CD1-CB 4.06Å; I222-N225 WeakPolarHBondContact O-CB 3.27Å; I222-N225 PolarHBondContact O-N 2.97Å; I222-L226 PolarHBondContact O-N 3.16Å
223H92Very high87.1Confident38 Ų3838.9 Ų38.918%0.17620%0.201CC..Hα-helixtrans-62.2-32.8173.9-56.3-79.2000112.6I211 N221 L226 I227 V242 L246I211-H223 WeakPolarHBondContact CD1-ND1 3.46Å; N221-H223 PolarHBondContact O-N 3.3Å; H223-L226 PolarHBondContact O-N 3.04Å; H223-I227 VanDerWaalsContact O-CG1 3.29Å; H223-I227 WeakPolarHBondContact O-CG1 3.16Å; H223-I227 PolarHBondContact O-N 2.9Å; H223-V242 HydrophobicContact CB-CG1 4.4Å; H223-L246 HydrophobicContact CB-CD1 4.1Å; H223-L246 HydrophobicContact CB-CD2 3.86Å; H223-L246 HydrophobicContact CB-CG 4.47Å
224E93.9Very high87.4Confident19 Ų1939.3 Ų39.39%0.08920%0.203CC..Hα-helixtrans-69.1-41.3176.2-65.1-164.7-161.200111.4P65 N221 I222 L226 I227 E228 S254 T256P65-E224 HydrophobicContact CB-CB 4.49Å; P65-E224 HydrophobicContact CG-CB 4.04Å; N221-E224 HydrophobicContact CB-CG 4.4Å; N221-E224 WeakPolarHBondContact O-CB 3.39Å; N221-E224 PolarHBondContact O-N 2.71Å; I222-E224 VanDerWaalsContact C-N 3.26Å; I222-E224 PolarHBondContact O-N 3.02Å; E224-L226 VanDerWaalsContact C-N 3.3Å; E224-L226 PolarHBondContact O-N 3.42Å; E224-I227 PolarHBondContact O-N 2.89Å; E224-E228 PolarHBondContact O-N 3.36Å; E224-E228 VanDerWaalsContact O-N 3.14Å; E224-S254 VanDerWaalsContact CD-OG 3.24Å; E224-S254 WeakPolarHBondContact OE1-CB 3.44Å; E224-S254 PolarHBondContact OE1-OG 3.22Å; E224-T256 HydrophobicContact CB-CG2 3.96Å; E224-T256 HydrophobicContact CG-CG2 4.07Å; E224-T256 VanDerWaalsContact OE2-CB 3.28Å; E224-T256 WeakPolarHBondContact OE2-CB 3.05Å; E224-T256 PolarHBondContact OE2-OG1 3.35Å
225N95.4Very high87.9Confident0 Ų038.8 Ų38.80%021%0.205CC..Hα-helixtrans-59.7-45.4171.7-55.6115.3000110.5P65 M66 M192 M207 I222 I227 E228 V229P65-N225 VanDerWaalsContact C-ND2 3.33Å; P65-N225 PolarHBondContact O-ND2 3.29Å; M66-N225 HydrophobicContact SD-CB 4.27Å; M66-N225 PolarHBondContact SD-ND2 3.43Å; M192-N225 HydrophobicContact SD-CB 4.09Å; M192-N225 PolarHBondContact SD-ND2 3.06Å; M207-N225 HydrophobicContact CE-CB 3.71Å; M207-N225 HydrophobicContact SD-CB 3.91Å; I222-N225 HydrophobicContact CD1-CB 4.06Å; I222-N225 WeakPolarHBondContact O-CB 3.27Å; I222-N225 PolarHBondContact O-N 2.97Å; N225-I227 VanDerWaalsContact C-N 3.34Å; N225-I227 PolarHBondContact O-N 3.03Å; N225-E228 PolarHBondContact O-N 3.32Å; N225-V229 VanDerWaalsContact O-CG2 3.24Å; N225-V229 WeakPolarHBondContact O-CG2 3.1Å; N225-V229 PolarHBondContact O-N 2.65Å
226L96.5Very high88.6Confident5 Ų536.7 Ų36.73%0.02619%0.188CC..Hα-helixtrans-62-40.8179.1178.861.2000111.9V204 M207 R208 I211 I222 H223 E224 V229 L230 V242V204-L226 HydrophobicContact CB-CD1 4.43Å; V204-L226 HydrophobicContact CG1-CD1 4.06Å; V204-L226 HydrophobicContact CG2-CD1 4.21Å; M207-L226 HydrophobicContact CB-CB 4.34Å; M207-L226 HydrophobicContact CB-CD1 4.27Å; M207-L226 HydrophobicContact SD-CB 4.13Å; M207-L226 HydrophobicContact SD-CD1 4.45Å; R208-L226 HydrophobicContact CG-CD1 4.41Å; R208-L226 HydrophobicContact CG-CD2 4.22Å; I211-L226 HydrophobicContact CD1-CD2 3.73Å; I222-L226 PolarHBondContact O-N 3.16Å; H223-L226 PolarHBondContact O-N 3.04Å; E224-L226 VanDerWaalsContact C-N 3.3Å; E224-L226 PolarHBondContact O-N 3.42Å; L226-V229 PolarHBondContact O-N 3.17Å; L226-L230 HydrophobicContact CD1-CD1 3.96Å; L226-L230 HydrophobicContact CD1-CD2 4.43Å; L226-L230 HydrophobicContact CD1-CG 3.96Å; L226-L230 HydrophobicContact CD2-CD1 4.49Å; L226-L230 HydrophobicContact CG-CD1 3.81Å; L226-L230 HydrophobicContact CG-CG 4.27Å; L226-L230 WeakPolarHBondContact O-CB 3.02Å; L226-L230 WeakPolarHBondContact O-CG 3.11Å; L226-L230 PolarHBondContact O-N 3.49Å; L226-V242 HydrophobicContact CD2-CG2 3.9Å; L226-V242 HydrophobicContact CG-CG2 4.41Å
227I97.2Very high89.7Confident0 Ų036.6 Ų36.60%018%0.183CC..Hα-helixtrans-57.4-50.9175.3-74.7163.8000110.3H223 E224 N225 V229 L230 L231 V242 L243 L246 T256 T260H223-I227 VanDerWaalsContact O-CG1 3.29Å; H223-I227 WeakPolarHBondContact O-CG1 3.16Å; H223-I227 PolarHBondContact O-N 2.9Å; E224-I227 PolarHBondContact O-N 2.89Å; N225-I227 VanDerWaalsContact C-N 3.34Å; N225-I227 PolarHBondContact O-N 3.03Å; I227-V229 PolarHBondContact O-N 3.03Å; I227-L230 PolarHBondContact O-N 3.04Å; I227-L231 HydrophobicContact CG2-CD1 3.99Å; I227-L231 HydrophobicContact CG2-CG 4.38Å; I227-L231 WeakPolarHBondContact O-CG 3.43Å; I227-L231 PolarHBondContact O-N 3.46Å; I227-V242 HydrophobicContact CD1-CG1 4.18Å; I227-V242 HydrophobicContact CG1-CB 4.38Å; I227-V242 HydrophobicContact CG1-CG1 3.87Å; I227-L243 HydrophobicContact CD1-CD2 3.78Å; I227-L243 HydrophobicContact CD1-CG 4.35Å; I227-L246 HydrophobicContact CD1-CD1 3.96Å; I227-T256 HydrophobicContact CB-CG2 4.46Å; I227-T256 HydrophobicContact CG2-CG2 4.21Å; I227-T260 HydrophobicContact CG2-CG2 3.76Å
228E97.5Very high91.2Very high2 Ų238.9 Ų38.91%0.00919%0.194CC..Hα-helixtrans-58.7-47.7-179.8-170.7-76.114500111.4M66 R195 E224 N225 L230 L231 E232 W335 H339M66-E228 HydrophobicContact CE-CB 4.17Å; M66-E228 HydrophobicContact CE-CG 3.79Å; M66-E228 HydrophobicContact SD-CB 4.38Å; R195-E228 IonicContact CZ-OE1 3.92Å; R195-E228 IonicContact CZ-OE2 3.91Å; R195-E228 IonicContact NE-OE1 3.62Å; R195-E228 PolarHBondContact NE-OE1 2.66Å; R195-E228 IonicContact NE-OE2 3.18Å; R195-E228 PolarHBondContact NE-OE2 3.28Å; R195-E228 IonicContact NH2-OE1 2.8Å; R195-E228 PolarHBondContact NH2-OE1 2.64Å; R195-E228 IonicContact NH2-OE2 2.7Å; E224-E228 PolarHBondContact O-N 3.36Å; E224-E228 VanDerWaalsContact O-N 3.14Å; N225-E228 PolarHBondContact O-N 3.32Å; E228-L230 VanDerWaalsContact C-N 3.32Å; E228-L230 PolarHBondContact O-N 2.92Å; E228-L231 PolarHBondContact O-N 3.47Å; E228-E232 PolarHBondContact O-N 3.39Å; E228-W335 HydrophobicContact CG-CB 4.15Å; E228-H339 IonicContact OE1-CE1 3.23Å; E228-H339 IonicContact OE1-NE2 2.7Å
229V98.3Very high92.9Very high0 Ų035.2 Ų35.20%018%0.179CC..Hα-helixtrans-63.2-38.2179-173.50000112R195 L200 A203 V204 M207 N225 L226 I227 E232 M233R195-V229 HydrophobicContact CB-CG2 4.14Å; R195-V229 HydrophobicContact CG-CG2 3.88Å; L200-V229 HydrophobicContact CB-CG1 4.18Å; L200-V229 HydrophobicContact CD2-CG1 4.26Å; A203-V229 HydrophobicContact CB-CG1 4.26Å; V204-V229 HydrophobicContact CG2-CB 4.23Å; V204-V229 HydrophobicContact CG2-CG1 3.57Å; M207-V229 HydrophobicContact CE-CG2 3.63Å; M207-V229 HydrophobicContact SD-CG2 3.85Å; N225-V229 VanDerWaalsContact O-CG2 3.24Å; N225-V229 WeakPolarHBondContact O-CG2 3.1Å; N225-V229 PolarHBondContact O-N 2.65Å; L226-V229 PolarHBondContact O-N 3.17Å; I227-V229 PolarHBondContact O-N 3.03Å; V229-E232 PolarHBondContact O-N 2.76Å; V229-M233 HydrophobicContact CG1-SD 4.47Å; V229-M233 WeakPolarHBondContact O-CG 3.49Å; V229-M233 PolarHBondContact O-N 3.27Å
230L98.7Very high94.9Very high2 Ų233.9 Ų33.91%0.0117%0.172CC..Hα-helixtrans-67.9-37177.4-70.2171.3000112.1V204 L226 I227 E228 E232 M233 Q234 A235 D238 A239 V242V204-L230 HydrophobicContact CG2-CD2 4.21Å; L226-L230 HydrophobicContact CD1-CD1 3.96Å; L226-L230 HydrophobicContact CD1-CD2 4.43Å; L226-L230 HydrophobicContact CD1-CG 3.96Å; L226-L230 HydrophobicContact CD2-CD1 4.49Å; L226-L230 HydrophobicContact CG-CD1 3.81Å; L226-L230 HydrophobicContact CG-CG 4.27Å; L226-L230 WeakPolarHBondContact O-CB 3.02Å; L226-L230 WeakPolarHBondContact O-CG 3.11Å; L226-L230 PolarHBondContact O-N 3.49Å; I227-L230 PolarHBondContact O-N 3.04Å; E228-L230 VanDerWaalsContact C-N 3.32Å; E228-L230 PolarHBondContact O-N 2.92Å; L230-E232 VanDerWaalsContact C-N 3.34Å; L230-M233 CarbonylContact O-C 3.33Å; L230-M233 PolarHBondContact O-N 3.32Å; L230-Q234 PolarHBondContact O-N 2.96Å; L230-Q234 VanDerWaalsContact O-N 3.14Å; L230-A235 HydrophobicContact CB-CB 4.44Å; L230-A235 HydrophobicContact CD2-CB 4.01Å; L230-A235 PolarHBondContact O-N 3.49Å; L230-D238 HydrophobicContact CD1-CB 3.95Å; L230-D238 HydrophobicContact CD2-CB 3.83Å; L230-D238 HydrophobicContact CG-CB 4.43Å; L230-A239 HydrophobicContact CB-CB 4.18Å; L230-V242 HydrophobicContact CD1-CG2 3.92Å
231L98.5Very high96.3Very high0 Ų036 Ų360%019%0.185CC..Hα-helixtrans-66.5-38.2173.7-68.7174.6000111.5I227 E228 M233 Q234 Y236 A239 T260 L264 H339 R342I227-L231 HydrophobicContact CG2-CD1 3.99Å; I227-L231 HydrophobicContact CG2-CG 4.38Å; I227-L231 WeakPolarHBondContact O-CG 3.43Å; I227-L231 PolarHBondContact O-N 3.46Å; E228-L231 PolarHBondContact O-N 3.47Å; L231-M233 VanDerWaalsContact C-N 3.34Å; L231-Q234 PolarHBondContact O-N 3.41Å; L231-Y236 HydrophobicContact CD2-CD1 3.96Å; L231-Y236 HydrophobicContact CD2-CE1 4.14Å; L231-A239 HydrophobicContact CD2-CB 4.26Å; L231-T260 HydrophobicContact CD1-CG2 3.77Å; L231-T260 HydrophobicContact CD2-CG2 4.11Å; L231-T260 HydrophobicContact CG-CG2 4.34Å; L231-L264 HydrophobicContact CD2-CD2 4.18Å; L231-H339 VanDerWaalsContact CB-CD2 3.5Å; L231-H339 WeakPolarHBondContact CB-CD2 3.4Å; L231-R342 PolarHBondContact O-NH1 3.32Å
232E98.1Very high96.7Very high58 Ų5835.1 Ų35.127%0.27118%0.181SC..Hα-helixtrans-62.9-41.7173.7-172.975140.600111.9R195 L200 E228 V229 L230 Q234 H339 R342R195-E232 IonicContact CZ-OE1 3.03Å; R195-E232 IonicContact NH1-OE1 2.79Å; R195-E232 IonicContact NH2-OE1 3.81Å; R195-E232 PolarHBondContact NH2-OE1 3.25Å; R195-E232 IonicContact NH2-OE2 2.69Å; L200-E232 HydrophobicContact CD1-CB 4.36Å; L200-E232 HydrophobicContact CD1-CG 3.77Å; L200-E232 HydrophobicContact CD2-CG 4.34Å; E228-E232 PolarHBondContact O-N 3.39Å; V229-E232 PolarHBondContact O-N 2.76Å; L230-E232 VanDerWaalsContact C-N 3.34Å; E232-Q234 PolarHBondContact O-N 3.01Å; E232-H339 IonicContact OE2-CE1 3.25Å; E232-H339 PolarHBondContact OE2-CE1 3.08Å; E232-H339 IonicContact OE2-ND1 3.74Å; E232-R342 IonicContact OE2-CZ 2.78Å; E232-R342 IonicContact OE2-NH1 3.36Å; E232-R342 IonicContact OE2-NH2 2.85Å; E232-R342 PolarHBondContact OE2-NH2 2.97Å
233M98.1Very high96.8Very high77 Ų7735.3 Ų35.338%0.37918%0.182SC..THydrogen-bonded Turntrans-71.2-3172.7-68.5-17767.500114L200 T201 V204 V229 L230 L231 A235L200-M233 HydrophobicContact CB-CG 3.72Å; L200-M233 HydrophobicContact CB-SD 3.84Å; L200-M233 HydrophobicContact CD1-CG 3.64Å; L200-M233 HydrophobicContact CG-CG 4.32Å; T201-M233 HydrophobicContact CG2-CE 4.09Å; V204-M233 HydrophobicContact CG2-SD 3.67Å; V229-M233 HydrophobicContact CG1-SD 4.47Å; V229-M233 WeakPolarHBondContact O-CG 3.49Å; V229-M233 PolarHBondContact O-N 3.27Å; L230-M233 CarbonylContact O-C 3.33Å; L230-M233 PolarHBondContact O-N 3.32Å; L231-M233 VanDerWaalsContact C-N 3.34Å; M233-A235 HydrophobicContact CB-CB 4.26Å; M233-A235 PolarHBondContact O-N 2.88Å; M233-A235 VanDerWaalsContact O-N 3.14Å
234Q98Very high96.8Very high113 Ų11335.7 Ų35.753%0.52819%0.192SC..THydrogen-bonded Turntrans55.624.1-171.3-55.3-178.411.200113.5L230 L231 E232 Y236L230-Q234 PolarHBondContact O-N 2.96Å; L230-Q234 VanDerWaalsContact O-N 3.14Å; L231-Q234 PolarHBondContact O-N 3.41Å; E232-Q234 PolarHBondContact O-N 3.01Å; Q234-Y236 HydrophobicContact CB-CD2 4.33Å; Q234-Y236 HydrophobicContact CB-CE2 3.67Å; Q234-Y236 HydrophobicContact CG-CE2 4.28Å; Q234-Y236 WeakPolarHBondContact O-CD2 3.47Å; Q234-Y236 WeakPolarHBondContact O-CE2 3.49Å; Q234-Y236 PolarHBondContact O-N 2.86Å
235A98.3Very high96.5Very high26 Ų2642.1 Ų42.122%0.21522%0.215CC..  trans-81.659.6176.800000110.3L230 M233 N237 D238 A239L230-A235 HydrophobicContact CB-CB 4.44Å; L230-A235 HydrophobicContact CD2-CB 4.01Å; L230-A235 PolarHBondContact O-N 3.49Å; M233-A235 HydrophobicContact CB-CB 4.26Å; M233-A235 PolarHBondContact O-N 2.88Å; M233-A235 VanDerWaalsContact O-N 3.14Å; A235-N237 VanDerWaalsContact C-N 3.29Å; A235-N237 PolarHBondContact O-N 3.31Å; A235-D238 HydrophobicContact CB-CB 4.16Å; A235-D238 WeakPolarHBondContact O-CB 3.33Å; A235-D238 PolarHBondContact O-N 3.09Å; A235-D238 VanDerWaalsContact O-N 3.07Å; A235-A239 PolarHBondContact O-N 2.73Å
236Y98.3Very high96Very high28 Ų2842.7 Ų42.711%0.1122%0.218CC..Hα-helixtrans-61.8-33.5-170.6-58.2-68.4000113.9L231 Q234 A239 Q240 L264 R267L231-Y236 HydrophobicContact CD2-CD1 3.96Å; L231-Y236 HydrophobicContact CD2-CE1 4.14Å; Q234-Y236 HydrophobicContact CB-CD2 4.33Å; Q234-Y236 HydrophobicContact CB-CE2 3.67Å; Q234-Y236 HydrophobicContact CG-CE2 4.28Å; Q234-Y236 WeakPolarHBondContact O-CD2 3.47Å; Q234-Y236 WeakPolarHBondContact O-CE2 3.49Å; Q234-Y236 PolarHBondContact O-N 2.86Å; Y236-A239 PolarHBondContact O-N 3.29Å; Y236-Q240 WeakPolarHBondContact O-CB 3.49Å; Y236-Q240 PolarHBondContact O-N 3.39Å; Y236-L264 HydrophobicContact CD1-CD2 3.74Å; Y236-L264 HydrophobicContact CG-CD2 4.31Å; Y236-R267 VanDerWaalsContact CE2-NH2 3.32Å
237N98.2Very high95.3Very high120 Ų12048 Ų4864%0.64225%0.246SC*.Hα-helixtrans-67.5-37.5176.3-66.5-21.8000111.7A235 Q240 T241A235-N237 VanDerWaalsContact C-N 3.29Å; A235-N237 PolarHBondContact O-N 3.31Å; N237-Q240 PolarHBondContact O-N 2.93Å; N237-T241 PolarHBondContact O-N 3.14Å; N237-T241 PolarHBondContact O-OG1 2.81Å
238D98.2Very high94.2Very high67 Ų6755 Ų5536%0.35828%0.279SS..Hα-helixtrans-68.3-42.7175.2-76.89.2000110.2R208 L230 A235 Q240 T241 V242R208-D238 IonicContact CZ-OD2 2.71Å; R208-D238 IonicContact NH2-OD2 2.86Å; R208-D238 PolarHBondContact NH2-OD2 2.79Å; L230-D238 HydrophobicContact CD1-CB 3.95Å; L230-D238 HydrophobicContact CD2-CB 3.83Å; L230-D238 HydrophobicContact CG-CB 4.43Å; A235-D238 HydrophobicContact CB-CB 4.16Å; A235-D238 WeakPolarHBondContact O-CB 3.33Å; A235-D238 PolarHBondContact O-N 3.09Å; A235-D238 VanDerWaalsContact O-N 3.07Å; D238-Q240 VanDerWaalsContact C-N 3.33Å; D238-Q240 PolarHBondContact O-N 3.26Å; D238-T241 WeakPolarHBondContact O-CB 3.21Å; D238-T241 PolarHBondContact O-N 3.44Å; D238-T241 VanDerWaalsContact O-N 3.13Å; D238-V242 WeakPolarHBondContact O-CG2 3.32Å; D238-V242 PolarHBondContact O-N 2.96Å
239A97.7Very high93Very high0 Ų060.8 Ų60.80%030%0.304CS..Hα-helixtrans-60.1-4317500000111.7L230 L231 A235 Y236 T241 V242 L243 L264L230-A239 HydrophobicContact CB-CB 4.18Å; L231-A239 HydrophobicContact CD2-CB 4.26Å; A235-A239 PolarHBondContact O-N 2.73Å; Y236-A239 PolarHBondContact O-N 3.29Å; A239-T241 VanDerWaalsContact C-N 3.29Å; A239-T241 PolarHBondContact O-N 2.57Å; A239-V242 PolarHBondContact O-N 3.5Å; A239-L243 WeakPolarHBondContact O-CG 3.08Å; A239-L243 PolarHBondContact O-N 2.92Å; A239-L264 HydrophobicContact CB-CD1 4.41Å
240Q96.8Very high91.6Very high89 Ų8966 Ų6642%0.41634%0.341SS..Hα-helixtrans-60.3-39.1174.1-172.564.847.700112Y236 N237 D238 L243 A244 L264Y236-Q240 WeakPolarHBondContact O-CB 3.49Å; Y236-Q240 PolarHBondContact O-N 3.39Å; N237-Q240 PolarHBondContact O-N 2.93Å; D238-Q240 VanDerWaalsContact C-N 3.33Å; D238-Q240 PolarHBondContact O-N 3.26Å; Q240-L243 PolarHBondContact O-N 3.32Å; Q240-A244 PolarHBondContact O-N 3.01Å; Q240-L264 HydrophobicContact CB-CD1 4.11Å; Q240-L264 VanDerWaalsContact OE1-CD1 3.25Å
241T95.8Very high90.2Very high69 Ų6967.9 Ų67.942%0.42335%0.351SS..Hα-helixtrans-66.1-39.9177.5-580000111.7N237 D238 A239 R245N237-T241 PolarHBondContact O-N 3.14Å; N237-T241 PolarHBondContact O-OG1 2.81Å; D238-T241 WeakPolarHBondContact O-CB 3.21Å; D238-T241 PolarHBondContact O-N 3.44Å; D238-T241 VanDerWaalsContact O-N 3.13Å; A239-T241 VanDerWaalsContact C-N 3.29Å; A239-T241 PolarHBondContact O-N 2.57Å; T241-R245 WeakPolarHBondContact O-CG 3.21Å; T241-R245 PolarHBondContact O-N 2.7Å
242V93.6Very high89Confident18 Ų1871.5 Ų71.511%0.10937%0.374CS..Hα-helixtrans-63.5-46.2174.7175.90000110.5H223 L226 I227 L230 D238 A239 A244 R245 L246H223-V242 HydrophobicContact CB-CG1 4.4Å; L226-V242 HydrophobicContact CD2-CG2 3.9Å; L226-V242 HydrophobicContact CG-CG2 4.41Å; I227-V242 HydrophobicContact CD1-CG1 4.18Å; I227-V242 HydrophobicContact CG1-CB 4.38Å; I227-V242 HydrophobicContact CG1-CG1 3.87Å; L230-V242 HydrophobicContact CD1-CG2 3.92Å; D238-V242 WeakPolarHBondContact O-CG2 3.32Å; D238-V242 PolarHBondContact O-N 2.96Å; A239-V242 PolarHBondContact O-N 3.5Å; V242-A244 PolarHBondContact O-N 2.78Å; V242-R245 PolarHBondContact O-N 2.88Å; V242-L246 HydrophobicContact CG1-CD1 4.19Å; V242-L246 HydrophobicContact CG1-CG 4.45Å; V242-L246 WeakPolarHBondContact O-CG 3.5Å; V242-L246 PolarHBondContact O-N 3.19Å
243L93.3Very high88.4Confident11 Ų1174.4 Ų74.46%0.05839%0.386CS..Hα-helixtrans-61.1-41.7178.5-71.4170000112.8I227 A239 Q240 R245 L246 D247 I257 T260 L264I227-L243 HydrophobicContact CD1-CD2 3.78Å; I227-L243 HydrophobicContact CD1-CG 4.35Å; A239-L243 WeakPolarHBondContact O-CG 3.08Å; A239-L243 PolarHBondContact O-N 2.92Å; Q240-L243 PolarHBondContact O-N 3.32Å; L243-R245 VanDerWaalsContact C-N 3.33Å; L243-R245 PolarHBondContact O-N 3.17Å; L243-L246 PolarHBondContact O-N 3.32Å; L243-D247 PolarHBondContact O-N 3.18Å; L243-D247 VanDerWaalsContact O-N 3.13Å; L243-I257 HydrophobicContact CD2-CB 4.34Å; L243-I257 HydrophobicContact CD2-CG2 3.96Å; L243-T260 HydrophobicContact CD1-CG2 4.01Å; L243-L264 HydrophobicContact CD1-CD1 3.66Å
244A92.4Very high88.1Confident46 Ų4670.8 Ų70.838%0.3837%0.369SS..Hα-helixtrans-59.8-43.8177.200000111.7Q240 V242 L246 D247 E248Q240-A244 PolarHBondContact O-N 3.01Å; V242-A244 PolarHBondContact O-N 2.78Å; A244-L246 PolarHBondContact O-N 2.8Å; A244-D247 PolarHBondContact O-N 3.04Å; A244-E248 PolarHBondContact O-N 3.08Å
245R87.7Confident87.9Confident154 Ų15465.4 Ų65.458%0.58134%0.343SS*.Hα-helixtrans-63.9-38.8175.8-68.7178.2-176.4-176.51.8112.5T241 V242 L243 D247 E248 F249T241-R245 WeakPolarHBondContact O-CG 3.21Å; T241-R245 PolarHBondContact O-N 2.7Å; V242-R245 PolarHBondContact O-N 2.88Å; L243-R245 VanDerWaalsContact C-N 3.33Å; L243-R245 PolarHBondContact O-N 3.17Å; R245-D247 VanDerWaalsContact C-N 3.29Å; R245-D247 PolarHBondContact O-N 3.02Å; R245-E248 PolarHBondContact O-N 3.23Å; R245-F249 WeakPolarHBondContact O-CD2 3.34Å; R245-F249 PolarHBondContact O-N 3.03Å
246L85.8Confident87.8Confident11 Ų1164.7 Ų64.76%0.05834%0.336CS..Hα-helixtrans-65.6-33.1178.9-68.2175.4000112.6H223 I227 V242 L243 A244 L251 I257H223-L246 HydrophobicContact CB-CD1 4.1Å; H223-L246 HydrophobicContact CB-CD2 3.86Å; H223-L246 HydrophobicContact CB-CG 4.47Å; I227-L246 HydrophobicContact CD1-CD1 3.96Å; V242-L246 HydrophobicContact CG1-CD1 4.19Å; V242-L246 HydrophobicContact CG1-CG 4.45Å; V242-L246 WeakPolarHBondContact O-CG 3.5Å; V242-L246 PolarHBondContact O-N 3.19Å; L243-L246 PolarHBondContact O-N 3.32Å; A244-L246 PolarHBondContact O-N 2.8Å; L246-L251 HydrophobicContact CD2-CD1 3.47Å; L246-L251 VanDerWaalsContact CD2-CD1 3.47Å; L246-I257 HydrophobicContact CD1-CD1 4.03Å; L246-I257 HydrophobicContact CD1-CG1 4.06Å
247D80.6Confident87.6Confident116 Ų11664.7 Ų64.762%0.6234%0.338SS*.Hα-helixtrans-68.8-38176.5-156.239.1000111.4L243 A244 R245 F249 S250L243-D247 PolarHBondContact O-N 3.18Å; L243-D247 VanDerWaalsContact O-N 3.13Å; A244-D247 PolarHBondContact O-N 3.04Å; R245-D247 VanDerWaalsContact C-N 3.29Å; R245-D247 PolarHBondContact O-N 3.02Å; D247-F249 VanDerWaalsContact C-N 3.34Å; D247-F249 PolarHBondContact O-N 3.13Å; D247-S250 PolarHBondContact O-N 3.16Å
248E75.3Confident87.5Confident148 Ų14859.9 Ų59.969%0.69231%0.313SS*.Hα-helixtrans-60.4-39.7175.9-69.1171.7-171.700112.8A244 R245 S250A244-E248 PolarHBondContact O-N 3.08Å; R245-E248 PolarHBondContact O-N 3.23Å; E248-S250 VanDerWaalsContact C-N 3.25Å; E248-S250 PolarHBondContact O-N 3.41Å
249F71.6Confident87.5Confident124 Ų12456.7 Ų56.754%0.54430%0.296SS..THydrogen-bonded Turntrans-79.8-0.3-178.6-67.7-65.2000114.3R245 D247 L251R245-F249 WeakPolarHBondContact O-CD2 3.34Å; R245-F249 PolarHBondContact O-N 3.03Å; D247-F249 VanDerWaalsContact C-N 3.34Å; D247-F249 PolarHBondContact O-N 3.13Å; F249-L251 HydrophobicContact CB-CD1 4.11Å; F249-L251 HydrophobicContact CB-CG 3.89Å; F249-L251 PolarHBondContact O-N 3.14Å; F249-L251 VanDerWaalsContact O-N 3.11Å
250S68.1Low87.5Confident110 Ų11056.7 Ų56.777%0.76930%0.296SS*.THydrogen-bonded Turntrans51.433.2-176.8-60.10000113.3D247 E248D247-S250 PolarHBondContact O-N 3.16Å; E248-S250 VanDerWaalsContact C-N 3.25Å; E248-S250 PolarHBondContact O-N 3.41Å
251L68.7Low87.5Confident40 Ų4054.3 Ų54.321%0.20929%0.289CS..PPolyproline II helixtrans-64.8148.6179.5-72.9167.5000110.3Y218 L246 F249 K253Y218-L251 HydrophobicContact CD1-CD1 3.89Å; Y218-L251 HydrophobicContact CD1-CD2 3.7Å; Y218-L251 HydrophobicContact CD1-CG 4.44Å; Y218-L251 HydrophobicContact CD2-CD2 4.44Å; Y218-L251 HydrophobicContact CE1-CD1 3.89Å; Y218-L251 HydrophobicContact CE1-CD2 4Å; Y218-L251 HydrophobicContact CE1-CG 4.47Å; Y218-L251 HydrophobicContact CG-CD2 3.93Å; L246-L251 HydrophobicContact CD2-CD1 3.47Å; L246-L251 VanDerWaalsContact CD2-CD1 3.47Å; F249-L251 HydrophobicContact CB-CD1 4.11Å; F249-L251 HydrophobicContact CB-CG 3.89Å; F249-L251 PolarHBondContact O-N 3.14Å; F249-L251 VanDerWaalsContact O-N 3.11Å; L251-K253 PolarHBondContact O-N 2.94Å; L251-K253 VanDerWaalsContact O-N 3.12Å
252P74.4Confident87.6Confident77 Ų7751 Ų5150%0.527%0.269SS..PPolyproline II helixtrans-64.5121.7-17818.2-22.6000110.2K323P252-K323 PolarHBondContact O-NZ 3.4Å
253K85.1Confident87.8Confident118 Ų11850.2 Ų50.251%0.51326%0.264SS..PPolyproline II helixtrans-53.1151.8-179.7-63.4-173.7178.9-176.80111.8L251 V258 F300 K323L251-K253 PolarHBondContact O-N 2.94Å; L251-K253 VanDerWaalsContact O-N 3.12Å; K253-V258 HydrophobicContact CB-CG1 4.3Å; K253-V258 HydrophobicContact CD-CG1 4.06Å; K253-F300 HydrophobicContact CB-CD2 4.29Å; K253-F300 HydrophobicContact CB-CE2 3.8Å; K253-F300 HydrophobicContact CB-CZ 4.35Å; K253-F300 WeakPolarHBondContact O-CZ 3.34Å; K253-K323 PolarHBondContact O-NZ 3.25Å
254S91.6Very high88.1Confident2 Ų249.9 Ų49.91%0.01426%0.262CS..  trans-137.7164.3173.661.20000109.5E224 T256 I257 V258 F300 E328E224-S254 VanDerWaalsContact CD-OG 3.24Å; E224-S254 WeakPolarHBondContact OE1-CB 3.44Å; E224-S254 PolarHBondContact OE1-OG 3.22Å; S254-T256 PolarHBondContact O-N 3.37Å; S254-I257 PolarHBondContact O-N 2.95Å; S254-I257 VanDerWaalsContact O-N 3.09Å; S254-V258 WeakPolarHBondContact O-CG2 3.34Å; S254-V258 PolarHBondContact O-N 3.07Å; S254-V258 VanDerWaalsContact O-N 3.14Å; S254-F300 VanDerWaalsContact C-CE1 3.44Å; S254-E328 WeakPolarHBondContact CA-OE1 3.45Å
255A95Very high88.3Confident0 Ų051.5 Ų51.50%026%0.26CS..Hα-helixtrans-54-42174.900000111I257 V258 Y259 F300 V304 E328 Y332A255-I257 VanDerWaalsContact C-N 3.31Å; A255-I257 PolarHBondContact O-N 2.84Å; A255-V258 PolarHBondContact O-N 3.14Å; A255-Y259 HydrophobicContact CB-CD2 4.23Å; A255-Y259 WeakPolarHBondContact O-CB 3.25Å; A255-Y259 PolarHBondContact O-N 3.03Å; A255-F300 VanDerWaalsContact N-CE1 3.31Å; A255-V304 HydrophobicContact CB-CG2 4.24Å; A255-E328 HydrophobicContact CB-CG 3.69Å; A255-E328 PolarHBondContact N-OE1 3.2Å; A255-Y332 HydrophobicContact CB-CD2 4.44Å; A255-Y332 HydrophobicContact CB-CG 4.19Å
256T96Very high88.8Confident10 Ų1044.1 Ų44.16%0.06123%0.233CC..Hα-helixtrans-52.7-46.8175.9-50.10000112.2E224 I227 S254 T260E224-T256 HydrophobicContact CB-CG2 3.96Å; E224-T256 HydrophobicContact CG-CG2 4.07Å; E224-T256 VanDerWaalsContact OE2-CB 3.28Å; E224-T256 WeakPolarHBondContact OE2-CB 3.05Å; E224-T256 PolarHBondContact OE2-OG1 3.35Å; I227-T256 HydrophobicContact CB-CG2 4.46Å; I227-T256 HydrophobicContact CG2-CG2 4.21Å; S254-T256 PolarHBondContact O-N 3.37Å; T256-T260 WeakPolarHBondContact O-CB 3.44Å; T256-T260 PolarHBondContact O-N 2.97Å; T256-T260 PolarHBondContact O-OG1 3.44Å
257I94.5Very high89.4Confident28 Ų2847.1 Ų47.114%0.14424%0.243CC..Hα-helixtrans-69-52.4-178-65.2171.8000111.1L243 L246 S254 A255 S261L243-I257 HydrophobicContact CD2-CB 4.34Å; L243-I257 HydrophobicContact CD2-CG2 3.96Å; L246-I257 HydrophobicContact CD1-CD1 4.03Å; L246-I257 HydrophobicContact CD1-CG1 4.06Å; S254-I257 PolarHBondContact O-N 2.95Å; S254-I257 VanDerWaalsContact O-N 3.09Å; A255-I257 VanDerWaalsContact C-N 3.31Å; A255-I257 PolarHBondContact O-N 2.84Å; I257-S261 WeakPolarHBondContact O-CB 3.28Å; I257-S261 PolarHBondContact O-N 3.12Å
258V95Very high90.1Very high19 Ų1949.5 Ų49.512%0.11524%0.244CC..Hα-helixtrans-73.4-41.7-171.4-61.40000112.5K253 S254 A255 S261 A262 A297 F300K253-V258 HydrophobicContact CB-CG1 4.3Å; K253-V258 HydrophobicContact CD-CG1 4.06Å; S254-V258 WeakPolarHBondContact O-CG2 3.34Å; S254-V258 PolarHBondContact O-N 3.07Å; S254-V258 VanDerWaalsContact O-N 3.14Å; A255-V258 PolarHBondContact O-N 3.14Å; V258-S261 PolarHBondContact O-N 2.95Å; V258-A262 PolarHBondContact O-N 2.79Å; V258-A297 HydrophobicContact CB-CB 4.17Å; V258-A297 HydrophobicContact CG2-CB 3.98Å; V258-F300 HydrophobicContact CG1-CG 4.43Å; V258-F300 HydrophobicContact CG2-CB 3.96Å; V258-F300 HydrophobicContact CG2-CD1 3.77Å; V258-F300 HydrophobicContact CG2-CG 3.97Å
259Y98.1Very high91.1Very high1 Ų143.1 Ų43.10%0.00422%0.216CC..Hα-helixtrans-74-33.4178.5-81.6-87.3000112.1A255 A262 L263 A297 V298 N301 V304 P305 L308 Y332 W340A255-Y259 HydrophobicContact CB-CD2 4.23Å; A255-Y259 WeakPolarHBondContact O-CB 3.25Å; A255-Y259 PolarHBondContact O-N 3.03Å; Y259-A262 PolarHBondContact O-N 3.26Å; Y259-L263 WeakPolarHBondContact O-CB 3.14Å; Y259-L263 PolarHBondContact O-N 2.95Å; Y259-A297 HydrophobicContact CD1-CB 3.87Å; Y259-A297 HydrophobicContact CD2-CB 3.88Å; Y259-A297 HydrophobicContact CE1-CB 3.86Å; Y259-A297 HydrophobicContact CE2-CB 3.86Å; Y259-A297 WeakPolarHBondContact CE2-O 3.47Å; Y259-A297 HydrophobicContact CG-CB 3.87Å; Y259-A297 PolarHBondContact OH-O 3.41Å; Y259-V298 WeakPolarHBondContact OH-CA 3.21Å; Y259-N301 HydrophobicContact CE2-CB 4.45Å; Y259-N301 PolarHBondContact OH-O 3.49Å; Y259-V304 HydrophobicContact CD1-CG1 3.8Å; Y259-V304 HydrophobicContact CD2-CB 4.27Å; Y259-V304 HydrophobicContact CD2-CG1 3.97Å; Y259-V304 HydrophobicContact CD2-CG2 4.13Å; Y259-V304 HydrophobicContact CE1-CB 4.02Å; Y259-V304 HydrophobicContact CE1-CG1 3.53Å; Y259-V304 HydrophobicContact CE2-CB 3.59Å; Y259-V304 HydrophobicContact CE2-CG1 3.71Å; Y259-V304 HydrophobicContact CE2-CG2 3.63Å; Y259-V304 HydrophobicContact CG-CG1 4.02Å; Y259-V304 VanDerWaalsContact CZ-CB 3.45Å; Y259-V304 VanDerWaalsContact CZ-CG1 3.5Å; Y259-P305 HydrophobicContact CE1-CG 4.47Å; Y259-P305 WeakPolarHBondContact OH-CD 3.47Å; Y259-L308 HydrophobicContact CD1-CD1 4.33Å; Y259-Y332 VanDerWaalsContact CB-OH 3.24Å; Y259-Y332 WeakPolarHBondContact CB-OH 3.4Å; Y259-Y332 HydrophobicContact CD1-CE1 4.35Å; Y259-Y332 HydrophobicContact CG-CD1 4.45Å; Y259-Y332 AromaticContact CG-CE1 3.91Å; Y259-Y332 HydrophobicContact CG-CE1 3.91Å; Y259-W340 AromaticContact CD1-CZ2 3.98Å; Y259-W340 HydrophobicContact CD1-CZ2 3.98Å
260T98.1Very high92.2Very high0 Ų037.3 Ų37.30%019%0.191CC..Hα-helixtrans-67.2-42.7172.9-57.70000111.3I227 L231 L243 T256 A262 L263 L264I227-T260 HydrophobicContact CG2-CG2 3.76Å; L231-T260 HydrophobicContact CD1-CG2 3.77Å; L231-T260 HydrophobicContact CD2-CG2 4.11Å; L231-T260 HydrophobicContact CG-CG2 4.34Å; L243-T260 HydrophobicContact CD1-CG2 4.01Å; T256-T260 WeakPolarHBondContact O-CB 3.44Å; T256-T260 PolarHBondContact O-N 2.97Å; T256-T260 PolarHBondContact O-OG1 3.44Å; T260-A262 VanDerWaalsContact C-N 3.27Å; T260-A262 PolarHBondContact O-N 2.92Å; T260-L263 PolarHBondContact O-N 3.34Å; T260-L264 HydrophobicContact CG2-CD1 4.31Å; T260-L264 HydrophobicContact CG2-CG 4.25Å; T260-L264 WeakPolarHBondContact O-CG 3.27Å; T260-L264 PolarHBondContact O-N 3.45Å
261S96.9Very high93.5Very high39 Ų3939.2 Ų39.227%0.27319%0.188SC..Hα-helixtrans-57.7-41.4174.1-175.30000111.9I257 V258 K265I257-S261 WeakPolarHBondContact O-CB 3.28Å; I257-S261 PolarHBondContact O-N 3.12Å; V258-S261 PolarHBondContact O-N 2.95Å; S261-K265 PolarHBondContact O-N 3.43Å
262A97.9Very high94.5Very high0 Ų047.8 Ų47.80%022%0.217CC..Hα-helixtrans-62.6-50.5172.900000112V258 Y259 T260 L264 K265 V266 A293 I294 A297V258-A262 PolarHBondContact O-N 2.79Å; Y259-A262 PolarHBondContact O-N 3.26Å; T260-A262 VanDerWaalsContact C-N 3.27Å; T260-A262 PolarHBondContact O-N 2.92Å; A262-L264 VanDerWaalsContact C-N 3.3Å; A262-L264 PolarHBondContact O-N 2.69Å; A262-K265 PolarHBondContact O-N 3.25Å; A262-K265 VanDerWaalsContact O-N 3.09Å; A262-V266 WeakPolarHBondContact O-CB 3.33Å; A262-V266 VanDerWaalsContact O-CG2 3.25Å; A262-V266 WeakPolarHBondContact O-CG2 3.49Å; A262-V266 PolarHBondContact O-N 3.19Å; A262-A293 HydrophobicContact CB-CB 4.05Å; A262-I294 HydrophobicContact CB-CG1 4.15Å; A262-A297 HydrophobicContact CB-CB 4.37Å
263L98.6Very high95.3Very high1 Ų145.8 Ų45.81%0.00520%0.201CC..Hα-helixtrans-55.7-43.7178.517859.3000111.9Y259 T260 K265 V266 R267 H339 W340 V343 A346Y259-L263 WeakPolarHBondContact O-CB 3.14Å; Y259-L263 PolarHBondContact O-N 2.95Å; T260-L263 PolarHBondContact O-N 3.34Å; L263-K265 VanDerWaalsContact C-N 3.29Å; L263-K265 PolarHBondContact O-N 3.23Å; L263-V266 PolarHBondContact O-N 2.97Å; L263-R267 WeakPolarHBondContact O-CG 3.43Å; L263-R267 PolarHBondContact O-N 3.14Å; L263-H339 HydrophobicContact CD2-CB 3.88Å; L263-W340 HydrophobicContact CB-CH2 4.31Å; L263-W340 HydrophobicContact CB-CZ2 3.86Å; L263-W340 HydrophobicContact CD1-CD2 3.82Å; L263-W340 HydrophobicContact CD1-CE3 3.95Å; L263-W340 HydrophobicContact CD1-CG 4.14Å; L263-W340 HydrophobicContact CD1-CZ3 4.37Å; L263-W340 HydrophobicContact CD2-CG 4.42Å; L263-V343 HydrophobicContact CD1-CB 4.45Å; L263-V343 HydrophobicContact CD1-CG2 4.03Å; L263-A346 HydrophobicContact CD1-CB 4.44Å
264L98.1Very high95.5Very high3 Ų342.1 Ų42.12%0.01619%0.19CC..Hα-helixtrans-63.9-32.7179.3-68-178.3000112.9L231 Y236 A239 Q240 L243 T260 A262 Y268L231-L264 HydrophobicContact CD2-CD2 4.18Å; Y236-L264 HydrophobicContact CD1-CD2 3.74Å; Y236-L264 HydrophobicContact CG-CD2 4.31Å; A239-L264 HydrophobicContact CB-CD1 4.41Å; Q240-L264 HydrophobicContact CB-CD1 4.11Å; Q240-L264 VanDerWaalsContact OE1-CD1 3.25Å; L243-L264 HydrophobicContact CD1-CD1 3.66Å; T260-L264 HydrophobicContact CG2-CD1 4.31Å; T260-L264 HydrophobicContact CG2-CG 4.25Å; T260-L264 WeakPolarHBondContact O-CG 3.27Å; T260-L264 PolarHBondContact O-N 3.45Å; A262-L264 VanDerWaalsContact C-N 3.3Å; A262-L264 PolarHBondContact O-N 2.69Å; L264-Y268 WeakPolarHBondContact O-CD2 3.48Å; L264-Y268 WeakPolarHBondContact O-CE2 3.32Å
265K97.8Very high95.3Very high80 Ų8045 Ų4535%0.34821%0.209SC..Hα-helixtrans-75.1-43.6172.1-72.9169.4171.8-76.30111.9S261 A262 L263 R267 Y268 S289 A290 A293S261-K265 PolarHBondContact O-N 3.43Å; A262-K265 PolarHBondContact O-N 3.25Å; A262-K265 VanDerWaalsContact O-N 3.09Å; L263-K265 VanDerWaalsContact C-N 3.29Å; L263-K265 PolarHBondContact O-N 3.23Å; K265-R267 PolarHBondContact O-N 3.45Å; K265-Y268 PolarHBondContact O-N 3.25Å; K265-Y268 VanDerWaalsContact O-N 3.14Å; K265-S289 PolarHBondContact NZ-OG 3.23Å; K265-A290 HydrophobicContact CB-CB 4.18Å; K265-A293 HydrophobicContact CD-CB 3.53Å
266V97.9Very high94.9Very high0 Ų050.8 Ų50.80%024%0.239CC..Hα-helixtrans-55.1-39.4177.8163.50000111.2A262 L263 Y268 V269 A270 A290 I294 W340 A346 L349A262-V266 WeakPolarHBondContact O-CB 3.33Å; A262-V266 VanDerWaalsContact O-CG2 3.25Å; A262-V266 WeakPolarHBondContact O-CG2 3.49Å; A262-V266 PolarHBondContact O-N 3.19Å; L263-V266 PolarHBondContact O-N 2.97Å; V266-Y268 PolarHBondContact O-N 3.04Å; V266-V269 WeakPolarHBondContact O-CG2 3.37Å; V266-V269 PolarHBondContact O-N 3.27Å; V266-A270 HydrophobicContact CG1-CB 3.85Å; V266-A270 VanDerWaalsContact O-CB 3.28Å; V266-A270 WeakPolarHBondContact O-CB 3.33Å; V266-A270 PolarHBondContact O-N 3.4Å; V266-A290 HydrophobicContact CG2-CB 4.26Å; V266-I294 HydrophobicContact CG2-CD1 3.5Å; V266-I294 HydrophobicContact CG2-CG1 3.93Å; V266-W340 HydrophobicContact CG1-CZ3 4.49Å; V266-W340 HydrophobicContact CG2-CZ3 4.49Å; V266-A346 HydrophobicContact CG1-CB 3.5Å; V266-A346 VanDerWaalsContact CG1-CB 3.5Å; V266-L349 HydrophobicContact CB-CD2 4.45Å; V266-L349 HydrophobicContact CG1-CD2 4.11Å; V266-L349 HydrophobicContact CG2-CD2 3.99Å
267R97.4Very high94.5Very high73 Ų7354.1 Ų54.128%0.27526%0.259SS..THydrogen-bonded Turntrans-49.9-31.5176.3-79.8176.867.1-105.4-7.7115.4Y236 L263 K265 V343Y236-R267 VanDerWaalsContact CE2-NH2 3.32Å; L263-R267 WeakPolarHBondContact O-CG 3.43Å; L263-R267 PolarHBondContact O-N 3.14Å; K265-R267 PolarHBondContact O-N 3.45Å; R267-V343 HydrophobicContact CB-CG1 4.31Å; R267-V343 HydrophobicContact CG-CB 4.23Å; R267-V343 HydrophobicContact CG-CG1 3.73Å; R267-V343 HydrophobicContact CG-CG2 3.43Å; R267-V343 VanDerWaalsContact CG-CG2 3.43Å
268Y96.5Very high94.2Very high166 Ų16653.6 Ų53.665%0.65126%0.259SS*.THydrogen-bonded Turntrans-84-12.6-177.5-65.6-74.8000113.8L264 K265 V266L264-Y268 WeakPolarHBondContact O-CD2 3.48Å; L264-Y268 WeakPolarHBondContact O-CE2 3.32Å; K265-Y268 PolarHBondContact O-N 3.25Å; K265-Y268 VanDerWaalsContact O-N 3.14Å; V266-Y268 PolarHBondContact O-N 3.04Å
269V96.7Very high93.7Very high14 Ų1456.8 Ų56.89%0.08529%0.288CS..THydrogen-bonded Turntrans-127.6-24.3-171.2-60.70000113.8V266 E271 R272 F273 A286 E287 A290 L349V266-V269 WeakPolarHBondContact O-CG2 3.37Å; V266-V269 PolarHBondContact O-N 3.27Å; V269-E271 PolarHBondContact O-N 3.47Å; V269-R272 PolarHBondContact O-N 2.97Å; V269-F273 WeakPolarHBondContact O-CB 3.42Å; V269-F273 PolarHBondContact O-N 3.04Å; V269-A286 HydrophobicContact CG1-CB 3.78Å; V269-E287 HydrophobicContact CB-CG 4.03Å; V269-E287 HydrophobicContact CG1-CG 4.11Å; V269-A290 HydrophobicContact CG2-CB 3.66Å; V269-L349 HydrophobicContact CG2-CD2 3.9Å
270A94.8Very high93.3Very high3 Ų365.7 Ų65.73%0.02533%0.327CS..G310 helixtrans-57.1-47.2-168.500000114.2V266 R272 F273 V343 E344 A346V266-A270 HydrophobicContact CG1-CB 3.85Å; V266-A270 VanDerWaalsContact O-CB 3.28Å; V266-A270 WeakPolarHBondContact O-CB 3.33Å; V266-A270 PolarHBondContact O-N 3.4Å; A270-R272 PolarHBondContact O-N 3.02Å; A270-R272 VanDerWaalsContact O-N 3.16Å; A270-F273 PolarHBondContact O-N 3.46Å; A270-F273 VanDerWaalsContact O-N 3.17Å; A270-V343 HydrophobicContact CB-CG1 4.1Å; A270-E344 CarbonylContact C-O 3.49Å; A270-E344 WeakPolarHBondContact CB-O 3.31Å; A270-A346 HydrophobicContact CB-CB 4.39Å
271E93.5Very high92.9Very high150 Ų15074 Ų7470%0.70136%0.358SS*.G310 helixtrans-60.2-29.1-177.5-169.6-170.3161.300112.9V269 E344V269-E271 PolarHBondContact O-N 3.47Å; E271-E344 PolarHBondContact N-O 3.17Å
272R91Very high92.5Very high219 Ų21973.8 Ų73.883%0.82636%0.362SS*.G310 helixtrans-105.1-4.4-176.8-60.3-179.9-175.3178.70.9113V269 A270 S274V269-R272 PolarHBondContact O-N 2.97Å; A270-R272 PolarHBondContact O-N 3.02Å; A270-R272 VanDerWaalsContact O-N 3.16Å; R272-S274 PolarHBondContact O-N 2.78Å
273F91.7Very high92.2Very high36 Ų3677.1 Ų77.116%0.15838%0.379CS..  trans-72.9127.7-175.5-179.3-100.9000110V269 A270 P275 A278 L283 E287 L349V269-F273 WeakPolarHBondContact O-CB 3.42Å; V269-F273 PolarHBondContact O-N 3.04Å; A270-F273 PolarHBondContact O-N 3.46Å; A270-F273 VanDerWaalsContact O-N 3.17Å; F273-P275 HydrophobicContact CE1-CG 3.94Å; F273-A278 HydrophobicContact CE2-CB 4.04Å; F273-A278 HydrophobicContact CZ-CB 4.36Å; F273-L283 HydrophobicContact CE2-CD2 3.87Å; F273-E287 HydrophobicContact CD2-CG 4.19Å; F273-L349 HydrophobicContact CD1-CB 4.22Å; F273-L349 HydrophobicContact CD1-CD1 3.66Å; F273-L349 HydrophobicContact CD1-CG 4.44Å; F273-L349 HydrophobicContact CD2-CD1 3.99Å; F273-L349 HydrophobicContact CE1-CD1 3.48Å; F273-L349 VanDerWaalsContact CE1-CD1 3.48Å; F273-L349 HydrophobicContact CE2-CD1 3.82Å; F273-L349 HydrophobicContact CG-CD1 3.9Å; F273-L349 HydrophobicContact CZ-CD1 3.56Å
274S89.4Confident92Very high40 Ų4078.8 Ų78.828%0.2839%0.39SS..  trans-131.2120.4173.5171.90000109.2R272 D276 V277 A278R272-S274 PolarHBondContact O-N 2.78Å; S274-D276 VanDerWaalsContact C-N 3.27Å; S274-D276 PolarHBondContact O-N 2.98Å; S274-V277 PolarHBondContact O-N 3.31Å; S274-A278 WeakPolarHBondContact O-CB 3.3Å; S274-A278 PolarHBondContact O-N 3.43Å
275P86.3Confident91.8Very high64 Ų6484.2 Ų84.242%0.41643%0.425SS..Hα-helixtrans-56-40178.2-25.933.5000113.1F273 V277 A278 A279F273-P275 HydrophobicContact CE1-CG 3.94Å; P275-V277 PolarHBondContact O-N 3.07Å; P275-A278 PolarHBondContact O-N 2.98Å; P275-A279 WeakPolarHBondContact O-CB 3.42Å; P275-A279 PolarHBondContact O-N 2.81Å
276D87.1Confident91.6Very high120 Ų12083.1 Ų83.164%0.64243%0.431SS*.Hα-helixtrans-66.7-37.8-179.9-67.1-38.3000112.5S274 K280S274-D276 VanDerWaalsContact C-N 3.27Å; S274-D276 PolarHBondContact O-N 2.98Å; D276-K280 WeakPolarHBondContact O-CG 3.38Å; D276-K280 PolarHBondContact O-N 2.81Å
277V87.5Confident91.5Very high80 Ų8084.2 Ų84.249%0.48544%0.436SS..Hα-helixtrans-71.7-44176.5178.70000110S274 P275 A279 K280 R281S274-V277 PolarHBondContact O-N 3.31Å; P275-V277 PolarHBondContact O-N 3.07Å; V277-A279 VanDerWaalsContact C-N 3.32Å; V277-A279 PolarHBondContact O-N 2.62Å; V277-K280 PolarHBondContact O-N 2.99Å; V277-R281 WeakPolarHBondContact O-CB 2.88Å; V277-R281 PolarHBondContact O-N 3.12Å
278A87.3Confident91.3Very high17 Ų1784.4 Ų84.414%0.1444%0.442CS..Hα-helixtrans-61.3-38.7176.900000112F273 S274 P275 K280 G282 L283F273-A278 HydrophobicContact CE2-CB 4.04Å; F273-A278 HydrophobicContact CZ-CB 4.36Å; S274-A278 WeakPolarHBondContact O-CB 3.3Å; S274-A278 PolarHBondContact O-N 3.43Å; P275-A278 PolarHBondContact O-N 2.98Å; A278-K280 VanDerWaalsContact C-N 3.32Å; A278-K280 PolarHBondContact O-N 3.26Å; A278-G282 CarbonylContact O-C 3.57Å; A278-G282 WeakPolarHBondContact O-CA 3.32Å; A278-G282 PolarHBondContact O-N 3.25Å; A278-L283 HydrophobicContact CB-CD2 3.82Å
279A85.5Confident91.3Very high87 Ų8778.3 Ų78.372%0.71942%0.424SS*.Hα-helixtrans-65.5-32.2176.500000113.2P275 V277P275-A279 WeakPolarHBondContact O-CB 3.42Å; P275-A279 PolarHBondContact O-N 2.81Å; V277-A279 VanDerWaalsContact C-N 3.32Å; V277-A279 PolarHBondContact O-N 2.62Å
280K89.5Confident91.2Very high188 Ų18877.7 Ų77.782%0.81742%0.42SS*.Hα-helixtrans-88.2-41.2-179.2-69.9174.5-175.9172.40113.4D276 V277 A278D276-K280 WeakPolarHBondContact O-CG 3.38Å; D276-K280 PolarHBondContact O-N 2.81Å; V277-K280 PolarHBondContact O-N 2.99Å; A278-K280 VanDerWaalsContact C-N 3.32Å; A278-K280 PolarHBondContact O-N 3.26Å
281R90.3Very high91.2Very high174 Ų17478.3 Ų78.366%0.65742%0.424SS*.Hα-helixtrans-97-18.4-174-165.6176.181.7129.2-9.7113.2V277V277-R281 WeakPolarHBondContact O-CB 2.88Å; V277-R281 PolarHBondContact O-N 3.12Å
282G88.5Confident91.1Very high35 Ų3575.3 Ų75.336%0.36141%0.41SS..  trans79169.8-161.900000112A278A278-G282 CarbonylContact O-C 3.57Å; A278-G282 WeakPolarHBondContact O-CA 3.32Å; A278-G282 PolarHBondContact O-N 3.25Å
283L90.4Very high91.2Very high69 Ų6965.5 Ų65.536%0.36138%0.376SS..  trans-78.4138.4177.9-62.1170.3000110.7F273 A278 E287 L288 V291F273-L283 HydrophobicContact CE2-CD2 3.87Å; A278-L283 HydrophobicContact CB-CD2 3.82Å; L283-E287 HydrophobicContact CB-CB 4.19Å; L283-E287 HydrophobicContact CD2-CB 3.99Å; L283-L288 HydrophobicContact CB-CB 4.21Å; L283-L288 HydrophobicContact CD1-CD1 4.11Å; L283-V291 HydrophobicContact CD1-CB 4.41Å; L283-V291 HydrophobicContact CD1-CG1 4.38Å; L283-V291 HydrophobicContact CD1-CG2 4.22Å
284T93.7Very high91.4Very high37 Ų3763.8 Ų63.823%0.22737%0.368CS..  trans-64.5160.8164.358.90000111A286 E287 L288T284-A286 PolarHBondContact O-N 2.85Å; T284-E287 WeakPolarHBondContact CB-OE2 3.48Å; T284-E287 VanDerWaalsContact CG2-OE2 3.31Å; T284-E287 WeakPolarHBondContact CG2-OE2 3.36Å; T284-E287 PolarHBondContact N-OE2 3.01Å; T284-E287 PolarHBondContact O-N 2.79Å; T284-E287 WeakPolarHBondContact OG1-CB 3.44Å; T284-E287 WeakPolarHBondContact OG1-CG 3.44Å; T284-E287 PolarHBondContact OG1-N 2.79Å; T284-E287 VanDerWaalsContact OG1-N 3.14Å; T284-E287 PolarHBondContact OG1-OE2 3.12Å; T284-L288 WeakPolarHBondContact O-CB 3.32Å; T284-L288 PolarHBondContact O-N 3.03Å
285P94.8Very high91.4Very high116 Ų11665.4 Ų65.475%0.75337%0.371SS*.Hα-helixtrans-54.7-35173.8-27.635.6000113.9S289P285-S289 WeakPolarHBondContact O-CB 3.44Å; P285-S289 PolarHBondContact O-N 3.48Å
286A94.7Very high91.5Very high57 Ų5768.7 Ų68.747%0.47138%0.379SS..Hα-helixtrans-71.2-45.9177.600000112V269 T284 S289 A290V269-A286 HydrophobicContact CG1-CB 3.78Å; T284-A286 PolarHBondContact O-N 2.85Å; A286-S289 PolarHBondContact O-N 3.46Å; A286-A290 PolarHBondContact O-N 2.51Å; A286-A290 VanDerWaalsContact O-N 3.08Å
287E94.7Very high91.7Very high23 Ų2363 Ų6311%0.10735%0.348CS..Hα-helixtrans-63.5-43.1176.3-70.9161.215100111V269 F273 L283 T284 S289 A290 V291V269-E287 HydrophobicContact CB-CG 4.03Å; V269-E287 HydrophobicContact CG1-CG 4.11Å; F273-E287 HydrophobicContact CD2-CG 4.19Å; L283-E287 HydrophobicContact CB-CB 4.19Å; L283-E287 HydrophobicContact CD2-CB 3.99Å; T284-E287 WeakPolarHBondContact CB-OE2 3.48Å; T284-E287 VanDerWaalsContact CG2-OE2 3.31Å; T284-E287 WeakPolarHBondContact CG2-OE2 3.36Å; T284-E287 PolarHBondContact N-OE2 3.01Å; T284-E287 PolarHBondContact O-N 2.79Å; T284-E287 WeakPolarHBondContact OG1-CB 3.44Å; T284-E287 WeakPolarHBondContact OG1-CG 3.44Å; T284-E287 PolarHBondContact OG1-N 2.79Å; T284-E287 VanDerWaalsContact OG1-N 3.14Å; T284-E287 PolarHBondContact OG1-OE2 3.12Å; E287-S289 VanDerWaalsContact C-N 3.32Å; E287-S289 PolarHBondContact O-N 2.81Å; E287-A290 PolarHBondContact O-N 3.39Å; E287-V291 WeakPolarHBondContact O-CB 3.25Å; E287-V291 VanDerWaalsContact O-CG2 3.31Å; E287-V291 WeakPolarHBondContact O-CG2 3.29Å; E287-V291 PolarHBondContact O-N 3.09Å
288L93.4Very high91.9Very high77 Ų7759.2 Ų59.240%0.40333%0.325SS..Hα-helixtrans-57.9-45.1175.1-178.263.2000110.9L283 T284 A290 V291 E292L283-L288 HydrophobicContact CB-CB 4.21Å; L283-L288 HydrophobicContact CD1-CD1 4.11Å; T284-L288 WeakPolarHBondContact O-CB 3.32Å; T284-L288 PolarHBondContact O-N 3.03Å; L288-A290 VanDerWaalsContact C-N 3.32Å; L288-A290 PolarHBondContact O-N 2.84Å; L288-V291 PolarHBondContact O-N 3.38Å; L288-E292 HydrophobicContact CD1-CG 4.35Å; L288-E292 HydrophobicContact CG-CG 4.48Å; L288-E292 WeakPolarHBondContact O-CB 3.45Å; L288-E292 VanDerWaalsContact O-CG 3.31Å; L288-E292 WeakPolarHBondContact O-CG 3.31Å; L288-E292 PolarHBondContact O-N 3.29Å
289S95.6Very high91.7Very high39 Ų3963 Ų6327%0.27334%0.34SS..Hα-helixtrans-63.7-35.7177.8-164.10000113.2K265 P285 A286 E287 A293K265-S289 PolarHBondContact NZ-OG 3.23Å; P285-S289 WeakPolarHBondContact O-CB 3.44Å; P285-S289 PolarHBondContact O-N 3.48Å; A286-S289 PolarHBondContact O-N 3.46Å; E287-S289 VanDerWaalsContact C-N 3.32Å; E287-S289 PolarHBondContact O-N 2.81Å; S289-A293 WeakPolarHBondContact O-CB 3.48Å; S289-A293 PolarHBondContact O-N 2.7Å
290A95.7Very high91.7Very high0 Ų059.7 Ų59.70%031%0.309CS..Hα-helixtrans-70.7-44.9175.800000111.7K265 V266 V269 A286 E287 L288 A293 I294K265-A290 HydrophobicContact CB-CB 4.18Å; V266-A290 HydrophobicContact CG2-CB 4.26Å; V269-A290 HydrophobicContact CG2-CB 3.66Å; A286-A290 PolarHBondContact O-N 2.51Å; A286-A290 VanDerWaalsContact O-N 3.08Å; E287-A290 PolarHBondContact O-N 3.39Å; L288-A290 VanDerWaalsContact C-N 3.32Å; L288-A290 PolarHBondContact O-N 2.84Å; A290-A293 PolarHBondContact O-N 3.26Å; A290-I294 WeakPolarHBondContact O-CG1 3.34Å; A290-I294 PolarHBondContact O-N 3.18Å
291V93.4Very high91.7Very high16 Ų1650.7 Ų50.710%0.09727%0.27CS..Hα-helixtrans-60.5-46.7176.4166.80000110.9L283 E287 L288 A293 I294 H295 L349 T353L283-V291 HydrophobicContact CD1-CB 4.41Å; L283-V291 HydrophobicContact CD1-CG1 4.38Å; L283-V291 HydrophobicContact CD1-CG2 4.22Å; E287-V291 WeakPolarHBondContact O-CB 3.25Å; E287-V291 VanDerWaalsContact O-CG2 3.31Å; E287-V291 WeakPolarHBondContact O-CG2 3.29Å; E287-V291 PolarHBondContact O-N 3.09Å; L288-V291 PolarHBondContact O-N 3.38Å; V291-A293 VanDerWaalsContact C-N 3.29Å; V291-A293 PolarHBondContact O-N 3.15Å; V291-I294 PolarHBondContact O-N 3.35Å; V291-H295 VanDerWaalsContact CG1-CD2 3.47Å; V291-H295 WeakPolarHBondContact CG1-CD2 3.28Å; V291-H295 WeakPolarHBondContact CG1-NE2 3.35Å; V291-H295 PolarHBondContact O-CD2 3.36Å; V291-H295 PolarHBondContact O-N 3.01Å; V291-L349 HydrophobicContact CG2-CD1 4.09Å; V291-T353 HydrophobicContact CG1-CG2 3.99Å
292E91.9Very high91.5Very high88 Ų8842.7 Ų42.741%0.41124%0.241SC..Hα-helixtrans-59.8-37.7174.7-76.3178.2-176.900112.9L288 H295 K296L288-E292 HydrophobicContact CD1-CG 4.35Å; L288-E292 HydrophobicContact CG-CG 4.48Å; L288-E292 WeakPolarHBondContact O-CB 3.45Å; L288-E292 VanDerWaalsContact O-CG 3.31Å; L288-E292 WeakPolarHBondContact O-CG 3.31Å; L288-E292 PolarHBondContact O-N 3.29Å; E292-H295 PolarHBondContact O-N 2.91Å; E292-K296 WeakPolarHBondContact O-CG 3.5Å; E292-K296 PolarHBondContact O-N 3.18Å
293A94.2Very high91.6Very high13 Ų1341.6 Ų41.611%0.10723%0.226CC..Hα-helixtrans-69-39.6177.200000111.8A262 K265 S289 A290 V291 K296 A297A262-A293 HydrophobicContact CB-CB 4.05Å; K265-A293 HydrophobicContact CD-CB 3.53Å; S289-A293 WeakPolarHBondContact O-CB 3.48Å; S289-A293 PolarHBondContact O-N 2.7Å; A290-A293 PolarHBondContact O-N 3.26Å; V291-A293 VanDerWaalsContact C-N 3.29Å; V291-A293 PolarHBondContact O-N 3.15Å; A293-K296 PolarHBondContact O-N 3.04Å; A293-A297 WeakPolarHBondContact O-CB 3.48Å; A293-A297 PolarHBondContact O-N 3.36Å
294I94.6Very high91.8Very high0 Ų038.3 Ų38.30%021%0.209CC..Hα-helixtrans-62.4-47.2172-68.1164.7000110.2A262 V266 A290 V291 K296 A297 V298 L349 L350 T353A262-I294 HydrophobicContact CB-CG1 4.15Å; V266-I294 HydrophobicContact CG2-CD1 3.5Å; V266-I294 HydrophobicContact CG2-CG1 3.93Å; A290-I294 WeakPolarHBondContact O-CG1 3.34Å; A290-I294 PolarHBondContact O-N 3.18Å; V291-I294 PolarHBondContact O-N 3.35Å; I294-K296 VanDerWaalsContact C-N 3.33Å; I294-K296 PolarHBondContact O-N 2.97Å; I294-A297 WeakPolarHBondContact O-CB 3.48Å; I294-A297 PolarHBondContact O-N 2.69Å; I294-V298 HydrophobicContact CG2-CG2 4.06Å; I294-V298 WeakPolarHBondContact O-CG2 3.27Å; I294-V298 PolarHBondContact O-N 3.48Å; I294-L349 HydrophobicContact CD1-CD2 4.33Å; I294-L349 HydrophobicContact CD1-CG 3.91Å; I294-L350 HydrophobicContact CG2-CD1 3.7Å; I294-T353 HydrophobicContact CB-CG2 3.9Å; I294-T353 HydrophobicContact CG2-CG2 3.58Å
295H89.2Confident91.8Very high74 Ų7436.5 Ų36.534%0.34320%0.198SC..Hα-helixtrans-54.8-47.6177.1-78.3-64.7000112V291 E292 A297 V298 E299 S357V291-H295 VanDerWaalsContact CG1-CD2 3.47Å; V291-H295 WeakPolarHBondContact CG1-CD2 3.28Å; V291-H295 WeakPolarHBondContact CG1-NE2 3.35Å; V291-H295 PolarHBondContact O-CD2 3.36Å; V291-H295 PolarHBondContact O-N 3.01Å; E292-H295 PolarHBondContact O-N 2.91Å; H295-A297 VanDerWaalsContact C-N 3.29Å; H295-A297 PolarHBondContact O-N 3.12Å; H295-V298 PolarHBondContact O-N 3.19Å; H295-E299 WeakPolarHBondContact O-CB 3.39Å; H295-E299 PolarHBondContact O-N 2.83Å; H295-S357 PolarHBondContact CE1-OG 3.08Å; H295-S357 PolarHBondContact ND1-OG 3.17Å
296K88.6Confident91.7Very high133 Ų13333.2 Ų33.258%0.57817%0.172SC*.Hα-helixtrans-61.6-35.8176.5-73.1170.8-177.91700112.8E292 A293 I294 F300E292-K296 WeakPolarHBondContact O-CG 3.5Å; E292-K296 PolarHBondContact O-N 3.18Å; A293-K296 PolarHBondContact O-N 3.04Å; I294-K296 VanDerWaalsContact C-N 3.33Å; I294-K296 PolarHBondContact O-N 2.97Å; K296-F300 WeakPolarHBondContact O-CB 3.29Å; K296-F300 PolarHBondContact O-N 3.4Å
297A93Very high91.8Very high0 Ų030.5 Ų30.50%015%0.149CC..Hα-helixtrans-71.1-41.6177.200000112V258 Y259 A262 A293 I294 H295 F300 N301V258-A297 HydrophobicContact CB-CB 4.17Å; V258-A297 HydrophobicContact CG2-CB 3.98Å; Y259-A297 HydrophobicContact CD1-CB 3.87Å; Y259-A297 HydrophobicContact CD2-CB 3.88Å; Y259-A297 HydrophobicContact CE1-CB 3.86Å; Y259-A297 HydrophobicContact CE2-CB 3.86Å; Y259-A297 WeakPolarHBondContact CE2-O 3.47Å; Y259-A297 HydrophobicContact CG-CB 3.87Å; Y259-A297 PolarHBondContact OH-O 3.41Å; A262-A297 HydrophobicContact CB-CB 4.37Å; A293-A297 WeakPolarHBondContact O-CB 3.48Å; A293-A297 PolarHBondContact O-N 3.36Å; I294-A297 WeakPolarHBondContact O-CB 3.48Å; I294-A297 PolarHBondContact O-N 2.69Å; H295-A297 VanDerWaalsContact C-N 3.29Å; H295-A297 PolarHBondContact O-N 3.12Å; A297-F300 WeakPolarHBondContact O-CB 3.47Å; A297-F300 PolarHBondContact O-N 3.38Å; A297-N301 PolarHBondContact O-N 3.37Å
298V90Very high91.9Very high0 Ų029.4 Ų29.40%014%0.144CC..Hα-helixtrans-65.5-42.4175.3173.10000111.5Y259 I294 H295 F300 N301 P302 P305 M358Y259-V298 WeakPolarHBondContact OH-CA 3.21Å; I294-V298 HydrophobicContact CG2-CG2 4.06Å; I294-V298 WeakPolarHBondContact O-CG2 3.27Å; I294-V298 PolarHBondContact O-N 3.48Å; H295-V298 PolarHBondContact O-N 3.19Å; V298-F300 VanDerWaalsContact C-N 3.27Å; V298-F300 PolarHBondContact O-N 2.98Å; V298-N301 CarbonylContact O-C 3.52Å; V298-N301 PolarHBondContact O-N 3.33Å; V298-P302 HydrophobicContact CG1-CB 4.46Å; V298-P302 WeakPolarHBondContact O-CA 3.42Å; V298-P302 WeakPolarHBondContact O-CB 3.45Å; V298-P305 HydrophobicContact CG2-CG 3.86Å; V298-M358 HydrophobicContact CG1-CE 3.75Å
299E83.1Confident92.1Very high98 Ų9827.1 Ų27.146%0.45813%0.132SC..Hα-helixtrans-62.4-36.3173.8-173.2-173.2169.500111.5H295 R324H295-E299 WeakPolarHBondContact O-CB 3.39Å; H295-E299 PolarHBondContact O-N 2.83Å; E299-R324 PolarHBondContact O-NH1 2.93Å
300F85.9Confident92Very high16 Ų1630.3 Ų30.37%0.0714%0.143CC..Hα-helixtrans-65.4-55.9174.9-179.4-93.3000111.8K253 S254 A255 V258 K296 A297 V298 R324 E328K253-F300 HydrophobicContact CB-CD2 4.29Å; K253-F300 HydrophobicContact CB-CE2 3.8Å; K253-F300 HydrophobicContact CB-CZ 4.35Å; K253-F300 WeakPolarHBondContact O-CZ 3.34Å; S254-F300 VanDerWaalsContact C-CE1 3.44Å; A255-F300 VanDerWaalsContact N-CE1 3.31Å; V258-F300 HydrophobicContact CG1-CG 4.43Å; V258-F300 HydrophobicContact CG2-CB 3.96Å; V258-F300 HydrophobicContact CG2-CD1 3.77Å; V258-F300 HydrophobicContact CG2-CG 3.97Å; K296-F300 WeakPolarHBondContact O-CB 3.29Å; K296-F300 PolarHBondContact O-N 3.4Å; A297-F300 WeakPolarHBondContact O-CB 3.47Å; A297-F300 PolarHBondContact O-N 3.38Å; V298-F300 VanDerWaalsContact C-N 3.27Å; V298-F300 PolarHBondContact O-N 2.98Å; F300-R324 HydrophobicContact CE1-CG 4.42Å; F300-R324 HydrophobicContact CE2-CG 4.33Å; F300-R324 HydrophobicContact CZ-CG 4.21Å; F300-R324 WeakPolarHBondContact O-CB 3.14Å; F300-R324 VanDerWaalsContact O-CG 3.23Å; F300-R324 WeakPolarHBondContact O-CG 3.31Å; F300-R324 PolarHBondContact O-NH1 3.06Å; F300-R324 VanDerWaalsContact O-NH1 3.16Å; F300-E328 WeakPolarHBondContact CE1-OE2 3.48Å
301N89.1Confident91.8Very high0 Ų036 Ų360%017%0.171CC..  trans-138.6103.6176.7-171.3-32.9000110.3Y259 A297 V298 H303 V304 R324 G325 E328Y259-N301 HydrophobicContact CE2-CB 4.45Å; Y259-N301 PolarHBondContact OH-O 3.49Å; A297-N301 PolarHBondContact O-N 3.37Å; V298-N301 CarbonylContact O-C 3.52Å; V298-N301 PolarHBondContact O-N 3.33Å; N301-H303 VanDerWaalsContact C-N 3.26Å; N301-H303 PolarHBondContact O-N 2.91Å; N301-H303 WeakPolarHBondContact OD1-CB 3.42Å; N301-H303 PolarHBondContact OD1-N 3.28Å; N301-H303 VanDerWaalsContact OD1-N 3.08Å; N301-V304 HydrophobicContact CB-CG2 4.13Å; N301-R324 VanDerWaalsContact ND2-C 3.32Å; N301-R324 WeakPolarHBondContact ND2-CA 3.32Å; N301-G325 PolarHBondContact ND2-O 3.22Å; N301-E328 PolarHBondContact ND2-OE2 3.33Å
302P86.9Confident91.7Very high5 Ų536.7 Ų36.73%0.03217%0.173CC..THydrogen-bonded Turntrans-80.7-5.1-174.132.5-36.7000113.5V298 P305 M358 F371 Y391V298-P302 HydrophobicContact CG1-CB 4.46Å; V298-P302 WeakPolarHBondContact O-CA 3.42Å; V298-P302 WeakPolarHBondContact O-CB 3.45Å; P302-P305 WeakPolarHBondContact O-CD 3.47Å; P302-M358 HydrophobicContact CB-CE 4.21Å; P302-F371 HydrophobicContact CG-CD1 4.07Å; P302-F371 HydrophobicContact CG-CD2 4.45Å; P302-F371 HydrophobicContact CG-CE1 3.55Å; P302-F371 HydrophobicContact CG-CE2 4Å; P302-F371 HydrophobicContact CG-CZ 3.54Å; P302-Y391 HydrophobicContact CB-CE2 4.4Å; P302-Y391 HydrophobicContact CG-CD2 4.35Å; P302-Y391 HydrophobicContact CG-CE2 4.02Å
303H90.2Very high91.6Very high12 Ų1237.3 Ų37.36%0.05619%0.187CC..THydrogen-bonded Turntrans-85.4-30-178.4-57.1-63.3000112.1N301 P305 K306 Y307 A329 S389N301-H303 VanDerWaalsContact C-N 3.26Å; N301-H303 PolarHBondContact O-N 2.91Å; N301-H303 WeakPolarHBondContact OD1-CB 3.42Å; N301-H303 PolarHBondContact OD1-N 3.28Å; N301-H303 VanDerWaalsContact OD1-N 3.08Å; H303-P305 VanDerWaalsContact C-CD 3.45Å; H303-K306 PolarHBondContact O-N 3.45Å; H303-Y307 HydrophobicContact CB-CE2 4.5Å; H303-Y307 VanDerWaalsContact O-CD2 3.31Å; H303-Y307 WeakPolarHBondContact O-CD2 3.37Å; H303-A329 HydrophobicContact CB-CB 3.73Å; H303-S389 PolarHBondContact CE1-O 2.8Å; H303-S389 WeakPolarHBondContact ND1-CB 3.42Å
304V94.7Very high91.3Very high0 Ų039.7 Ų39.70%020%0.195CC..Hα-helixtrans-50.5-46.1179.91700000113.7A255 Y259 N301 K306 Y307 L308 A329 Y332A255-V304 HydrophobicContact CB-CG2 4.24Å; Y259-V304 HydrophobicContact CD1-CG1 3.8Å; Y259-V304 HydrophobicContact CD2-CB 4.27Å; Y259-V304 HydrophobicContact CD2-CG1 3.97Å; Y259-V304 HydrophobicContact CD2-CG2 4.13Å; Y259-V304 HydrophobicContact CE1-CB 4.02Å; Y259-V304 HydrophobicContact CE1-CG1 3.53Å; Y259-V304 HydrophobicContact CE2-CB 3.59Å; Y259-V304 HydrophobicContact CE2-CG1 3.71Å; Y259-V304 HydrophobicContact CE2-CG2 3.63Å; Y259-V304 HydrophobicContact CG-CG1 4.02Å; Y259-V304 VanDerWaalsContact CZ-CB 3.45Å; Y259-V304 VanDerWaalsContact CZ-CG1 3.5Å; N301-V304 HydrophobicContact CB-CG2 4.13Å; V304-K306 VanDerWaalsContact C-N 3.31Å; V304-K306 PolarHBondContact O-N 3.11Å; V304-Y307 PolarHBondContact O-N 2.88Å; V304-Y307 VanDerWaalsContact O-N 3.11Å; V304-L308 HydrophobicContact CG1-CD1 3.53Å; V304-L308 HydrophobicContact CG1-CG 3.84Å; V304-L308 PolarHBondContact O-N 2.96Å; V304-A329 HydrophobicContact CB-CB 4.37Å; V304-A329 HydrophobicContact CG2-CB 3.66Å; V304-Y332 HydrophobicContact CG1-CD1 3.59Å; V304-Y332 HydrophobicContact CG1-CE1 3.95Å; V304-Y332 HydrophobicContact CG2-CD1 4.37Å
305P95Very high91.3Very high0 Ų040.3 Ų40.30%020%0.198CC..Hα-helixtrans-61-36.8-175.8-24.736.6000113.1Y259 V298 P302 H303 Y307 L308 L309 W354Y259-P305 HydrophobicContact CE1-CG 4.47Å; Y259-P305 WeakPolarHBondContact OH-CD 3.47Å; V298-P305 HydrophobicContact CG2-CG 3.86Å; P302-P305 WeakPolarHBondContact O-CD 3.47Å; H303-P305 VanDerWaalsContact C-CD 3.45Å; P305-Y307 VanDerWaalsContact C-N 3.26Å; P305-Y307 PolarHBondContact O-N 2.88Å; P305-L308 PolarHBondContact O-N 3.01Å; P305-L309 HydrophobicContact CB-CD1 4.46Å; P305-L309 WeakPolarHBondContact O-CB 3.44Å; P305-L309 WeakPolarHBondContact O-CG 3.49Å; P305-L309 PolarHBondContact O-N 3.28Å; P305-W354 HydrophobicContact CB-CB 4.29Å; P305-W354 HydrophobicContact CB-CD2 3.94Å; P305-W354 HydrophobicContact CB-CG 3.74Å; P305-W354 HydrophobicContact CG-CG 4.06Å
306K92.7Very high91.7Very high46 Ų4638.2 Ų38.220%0.219%0.189CC..Hα-helixtrans-62.4-35.4178.6-71.2-174.1177-177.70112.4H303 V304 E310 M311 K312 W354H303-K306 PolarHBondContact O-N 3.45Å; V304-K306 VanDerWaalsContact C-N 3.31Å; V304-K306 PolarHBondContact O-N 3.11Å; K306-E310 PolarHBondContact O-N 2.89Å; K306-M311 PolarHBondContact O-N 3Å; K306-K312 HydrophobicContact CB-CB 4.44Å; K306-K312 PolarHBondContact O-N 3.36Å; K306-W354 HydrophobicContact CD-CZ2 4.45Å; K306-W354 HydrophobicContact CG-CH2 3.92Å; K306-W354 HydrophobicContact CG-CZ2 3.72Å
307Y96.1Very high92.1Very high0 Ų031.9 Ų31.90%016%0.161CC..Hα-helixtrans-76.5-45.5175.8-66-73.9000111.4H303 V304 P305 L309 E310 K312 F314 D326 A329 I330 H386H303-Y307 HydrophobicContact CB-CE2 4.5Å; H303-Y307 VanDerWaalsContact O-CD2 3.31Å; H303-Y307 WeakPolarHBondContact O-CD2 3.37Å; V304-Y307 PolarHBondContact O-N 2.88Å; V304-Y307 VanDerWaalsContact O-N 3.11Å; P305-Y307 VanDerWaalsContact C-N 3.26Å; P305-Y307 PolarHBondContact O-N 2.88Å; Y307-L309 VanDerWaalsContact C-N 3.27Å; Y307-L309 PolarHBondContact O-N 3.41Å; Y307-E310 PolarHBondContact O-N 3.46Å; Y307-K312 HydrophobicContact CD1-CB 4.14Å; Y307-K312 HydrophobicContact CD1-CD 4.4Å; Y307-K312 HydrophobicContact CD1-CG 4.32Å; Y307-K312 HydrophobicContact CE1-CB 4.13Å; Y307-K312 HydrophobicContact CE1-CD 3.64Å; Y307-K312 HydrophobicContact CE1-CG 3.81Å; Y307-K312 HydrophobicContact CE2-CD 4.42Å; Y307-K312 WeakPolarHBondContact OH-CE 3.4Å; Y307-K312 PolarHBondContact OH-NZ 2.9Å; Y307-F314 HydrophobicContact CD1-CD1 4.35Å; Y307-F314 HydrophobicContact CD1-CE1 4.44Å; Y307-F314 WeakPolarHBondContact O-CZ 3.09Å; Y307-D326 VanDerWaalsContact CE2-OD1 3.31Å; Y307-D326 WeakPolarHBondContact CE2-OD1 3.47Å; Y307-D326 PolarHBondContact OH-OD1 3.39Å; Y307-A329 HydrophobicContact CD2-CB 3.84Å; Y307-A329 HydrophobicContact CE2-CB 3.87Å; Y307-I330 HydrophobicContact CD1-CG1 4.28Å; Y307-I330 HydrophobicContact CD2-CG1 4.49Å; Y307-I330 HydrophobicContact CE1-CD1 4.41Å; Y307-I330 HydrophobicContact CE1-CG1 3.64Å; Y307-I330 HydrophobicContact CE2-CG1 3.89Å; Y307-I330 VanDerWaalsContact CZ-CG1 3.41Å; Y307-H386 AromaticContact CZ-NE2 4Å; Y307-H386 PolarHBondContact OH-NE2 2.98Å
308L97.6Very high92.3Very high0 Ų032 Ų320%016%0.162CC..Hα-helixtrans-62-33.7177-69.5178.3000113.3Y259 V304 P305 Y332 A333 L337 W340 L347 L350Y259-L308 HydrophobicContact CD1-CD1 4.33Å; V304-L308 HydrophobicContact CG1-CD1 3.53Å; V304-L308 HydrophobicContact CG1-CG 3.84Å; V304-L308 PolarHBondContact O-N 2.96Å; P305-L308 PolarHBondContact O-N 3.01Å; L308-Y332 HydrophobicContact CD1-CE1 4.1Å; L308-Y332 HydrophobicContact CD2-CE1 4.22Å; L308-A333 HydrophobicContact CD2-CB 3.82Å; L308-A333 HydrophobicContact CG-CB 4.16Å; L308-L337 HydrophobicContact CD2-CB 4.32Å; L308-L337 HydrophobicContact CD2-CD1 4.48Å; L308-L337 WeakPolarHBondContact O-CD1 3.28Å; L308-W340 HydrophobicContact CD1-CD2 4.2Å; L308-W340 HydrophobicContact CD1-CG 4.32Å; L308-W340 HydrophobicContact CD1-CZ2 4.39Å; L308-W340 HydrophobicContact CD2-CG 4.37Å; L308-L347 HydrophobicContact CB-CD2 4.32Å; L308-L350 HydrophobicContact CB-CD2 3.91Å; L308-L350 HydrophobicContact CD1-CD2 3.65Å; L308-L350 HydrophobicContact CG-CD2 4.48Å
309L95.8Very high92.6Very high30 Ų3032.3 Ų32.316%0.15716%0.164CC..THydrogen-bonded Turntrans-863176.7-62.4172.9000112.6P305 Y307 M311 L347 L350 R351 W354P305-L309 HydrophobicContact CB-CD1 4.46Å; P305-L309 WeakPolarHBondContact O-CB 3.44Å; P305-L309 WeakPolarHBondContact O-CG 3.49Å; P305-L309 PolarHBondContact O-N 3.28Å; Y307-L309 VanDerWaalsContact C-N 3.27Å; Y307-L309 PolarHBondContact O-N 3.41Å; L309-M311 HydrophobicContact CB-CG 3.94Å; L309-M311 HydrophobicContact CB-SD 4.16Å; L309-M311 HydrophobicContact CD1-SD 4.17Å; L309-M311 PolarHBondContact O-N 3.39Å; L309-L347 HydrophobicContact CD2-CB 4.28Å; L309-L347 HydrophobicContact CD2-CD2 4.39Å; L309-L347 WeakPolarHBondContact CD2-O 3.39Å; L309-L350 HydrophobicContact CD2-CD2 4.38Å; L309-L350 HydrophobicContact CG-CD2 4.43Å; L309-R351 HydrophobicContact CD1-CB 4.03Å; L309-R351 HydrophobicContact CD1-CG 4.26Å; L309-R351 HydrophobicContact CD2-CB 3.93Å; L309-W354 HydrophobicContact CD1-CE3 3.78Å; L309-W354 HydrophobicContact CD1-CZ3 4.08Å
310E94.7Very high93.3Very high106 Ų10627.9 Ų27.950%0.49514%0.143SC..THydrogen-bonded Turntrans56.222.4179.6-57-179.695.100114.1K306 Y307 K312 F314 L337 R341K306-E310 PolarHBondContact O-N 2.89Å; Y307-E310 PolarHBondContact O-N 3.46Å; E310-K312 PolarHBondContact O-N 2.99Å; E310-F314 HydrophobicContact CG-CE2 4.29Å; E310-L337 HydrophobicContact CG-CD2 4.13Å; E310-R341 IonicContact OE1-CZ 3.79Å; E310-R341 IonicContact OE1-NH2 2.79Å; E310-R341 PolarHBondContact OE1-NH2 3.25Å; E310-R341 IonicContact OE2-CZ 2.7Å; E310-R341 IonicContact OE2-NE 3.7Å; E310-R341 IonicContact OE2-NH2 3.35Å; E310-R341 PolarHBondContact OE2-NH2 3.13Å
311M92.1Very high93.7Very high119 Ų11927.6 Ų27.659%0.58614%0.143SC*.SBendtrans-71.7-13.8171.1-59.2176.574.700111.4K306 L309 W354K306-M311 PolarHBondContact O-N 3Å; L309-M311 HydrophobicContact CB-CG 3.94Å; L309-M311 HydrophobicContact CB-SD 4.16Å; L309-M311 HydrophobicContact CD1-SD 4.17Å; L309-M311 PolarHBondContact O-N 3.39Å; M311-W354 HydrophobicContact CE-CH2 4.05Å; M311-W354 HydrophobicContact CE-CZ3 4.05Å; M311-W354 HydrophobicContact SD-CH2 3.75Å; M311-W354 HydrophobicContact SD-CZ3 3.51Å; M311-W354 VanDerWaalsContact SD-CZ3 3.51Å
312K91.2Very high93.9Very high31 Ų3127.7 Ų27.714%0.13514%0.143CC..SBendtrans-137.1135.2175.7-166.8173.2-179.7-166.30109.6K306 Y307 E310 D326 E387 S389K306-K312 HydrophobicContact CB-CB 4.44Å; K306-K312 PolarHBondContact O-N 3.36Å; Y307-K312 HydrophobicContact CD1-CB 4.14Å; Y307-K312 HydrophobicContact CD1-CD 4.4Å; Y307-K312 HydrophobicContact CD1-CG 4.32Å; Y307-K312 HydrophobicContact CE1-CB 4.13Å; Y307-K312 HydrophobicContact CE1-CD 3.64Å; Y307-K312 HydrophobicContact CE1-CG 3.81Å; Y307-K312 HydrophobicContact CE2-CD 4.42Å; Y307-K312 WeakPolarHBondContact OH-CE 3.4Å; Y307-K312 PolarHBondContact OH-NZ 2.9Å; E310-K312 PolarHBondContact O-N 2.99Å; K312-D326 IonicContact NZ-OD1 3.29Å; K312-D326 PolarHBondContact NZ-OD1 2.92Å; K312-E387 WeakPolarHBondContact CE-O 3.46Å; K312-E387 PolarHBondContact NZ-O 2.94Å; K312-S389 PolarHBondContact NZ-OG 3.04Å
313S89.7Confident93.9Very high100 Ų10029 Ų2970%0.69915%0.148SC*.  trans-67.9145.6-179.9-55.80000112.5
314F86.5Confident93.7Very high64 Ų6431.4 Ų31.428%0.28116%0.157SC..  trans-76.4151.8173-60.2-76.5000111.9Y307 E310 A333 L337Y307-F314 HydrophobicContact CD1-CD1 4.35Å; Y307-F314 HydrophobicContact CD1-CE1 4.44Å; Y307-F314 WeakPolarHBondContact O-CZ 3.09Å; E310-F314 HydrophobicContact CG-CE2 4.29Å; F314-A333 HydrophobicContact CE1-CB 3.66Å; F314-A333 HydrophobicContact CZ-CB 4.41Å; F314-L337 HydrophobicContact CE2-CD2 3.66Å; F314-L337 HydrophobicContact CZ-CB 4.46Å; F314-L337 HydrophobicContact CZ-CD2 3.69Å
315I94.8Very high93.4Very high12 Ų1231.4 Ų31.46%0.06216%0.157CC..  trans-120.5172.2160.866.3166000108I330 L382 P383 W385 H386I315-I330 HydrophobicContact CD1-CD1 4.19Å; I315-I330 HydrophobicContact CG1-CD1 4.03Å; I315-I330 HydrophobicContact CG1-CG2 3.99Å; I315-L382 HydrophobicContact CD1-CD2 4.07Å; I315-P383 HydrophobicContact CD1-CG 4.27Å; I315-W385 HydrophobicContact CB-CH2 3.8Å; I315-W385 HydrophobicContact CB-CZ3 4.06Å; I315-W385 HydrophobicContact CG2-CE3 4.33Å; I315-W385 HydrophobicContact CG2-CH2 3.55Å; I315-W385 HydrophobicContact CG2-CZ3 3.27Å; I315-H386 HydrophobicContact CD1-CB 4.05Å; I315-H386 HydrophobicContact CG2-CB 4.24Å; I315-H386 WeakPolarHBondContact CG2-ND1 3.27Å
316L97.5Very high93.3Very high30 Ų3031.6 Ų31.616%0.15716%0.158CC..PPolyproline II helixtrans-63135.3169-61.4-173.2000109.4L68 Y74 F77 A85 F334L68-L316 HydrophobicContact CD1-CB 4.13Å; L68-L316 HydrophobicContact CD1-CD1 4.14Å; L68-L316 HydrophobicContact CD1-CD2 3.9Å; L68-L316 HydrophobicContact CD1-CG 4.28Å; Y74-L316 HydrophobicContact CD1-CB 4.13Å; Y74-L316 HydrophobicContact CD1-CD1 3.84Å; Y74-L316 HydrophobicContact CE1-CB 3.93Å; Y74-L316 HydrophobicContact CE1-CD1 4.39Å; F77-L316 HydrophobicContact CB-CD1 3.52Å; F77-L316 HydrophobicContact CD1-CD1 4.22Å; F77-L316 HydrophobicContact CD2-CD1 4.01Å; F77-L316 HydrophobicContact CD2-CG 4.21Å; F77-L316 HydrophobicContact CG-CD1 3.66Å; F77-L316 HydrophobicContact CG-CG 4.29Å; A85-L316 HydrophobicContact CB-CD1 4.2Å; L316-F334 HydrophobicContact CD2-CE2 3.94Å; L316-F334 HydrophobicContact CD2-CZ 4.11Å
317P97.5Very high93.4Very high0 Ų029.4 Ų29.40%015%0.148CC..PPolyproline II helixtrans-66141.4-178.528.9-35.7000110.2L68 Y74 I330 F334L68-P317 HydrophobicContact CD1-CG 4.47Å; L68-P317 HydrophobicContact CD2-CG 4.48Å; L68-P317 HydrophobicContact CG-CG 4.23Å; Y74-P317 WeakPolarHBondContact CE1-O 3.37Å; Y74-P317 VanDerWaalsContact CZ-O 3.27Å; Y74-P317 PolarHBondContact OH-O 3.35Å; P317-I330 HydrophobicContact CB-CG2 4.42Å; P317-F334 HydrophobicContact CG-CD1 4.14Å; P317-F334 HydrophobicContact CG-CG 4.22Å
318P97.4Very high93.4Very high3 Ų329.9 Ų29.92%0.01915%0.151CC..PPolyproline II helixtrans-66.116517828-35.8000112.4N64 D90 H320 V321 L382N64-P318 WeakPolarHBondContact CB-O 3.17Å; N64-P318 PolarHBondContact ND2-O 3.45Å; D90-P318 VanDerWaalsContact OD2-CB 3.27Å; D90-P318 WeakPolarHBondContact OD2-CB 3.44Å; P318-H320 WeakPolarHBondContact CB-O 3.24Å; P318-H320 WeakPolarHBondContact CG-O 3.4Å; P318-H320 PolarHBondContact O-N 3.06Å; P318-V321 HydrophobicContact CG-CG1 4.37Å; P318-L382 HydrophobicContact CG-CD2 3.92Å
319E97.1Very high93.3Very high6 Ų629.9 Ų29.93%0.02815%0.151CC..SBendtrans-71.4-23.8174.2-70.5-171-171.300111.9N64 R70 Y74 L86 D90 S94N64-E319 WeakPolarHBondContact CB-O 3.47Å; N64-E319 PolarHBondContact N-O 2.93Å; R70-E319 IonicContact CZ-OE1 3.47Å; R70-E319 IonicContact CZ-OE2 3.82Å; R70-E319 IonicContact NE-OE1 3.54Å; R70-E319 PolarHBondContact NE-OE1 2.85Å; R70-E319 VanDerWaalsContact NH2-CD 3.34Å; R70-E319 IonicContact NH2-OE1 2.72Å; R70-E319 PolarHBondContact NH2-OE1 3.22Å; R70-E319 IonicContact NH2-OE2 3.9Å; R70-E319 PolarHBondContact NH2-OE2 3.2Å; Y74-E319 HydrophobicContact CE2-CG 3.77Å; L86-E319 HydrophobicContact CD1-CG 3.99Å; L86-E319 WeakPolarHBondContact CD1-OE1 3.41Å; L86-E319 HydrophobicContact CD2-CG 4.06Å; D90-E319 PolarHBondContact OD2-N 3.25Å; S94-E319 VanDerWaalsContact CB-OE2 3.29Å; S94-E319 WeakPolarHBondContact CB-OE2 3.45Å; S94-E319 PolarHBondContact OG-OE2 3.42Å
320H96.7Very high93.3Very high6 Ų628.5 Ų28.53%0.02814%0.143CC..EExtended strand (participates in β ladder)trans-126.9148.3174.5-59.177.7000112.5V61 W62 D90 L93 S94 D97 P318 L381V61-H320 HydrophobicContact CG1-CB 3.58Å; W62-H320 CarbonylContact O-C 3.56Å; W62-H320 WeakPolarHBondContact O-CA 3.4Å; D90-H320 VanDerWaalsContact OD1-CB 3.3Å; D90-H320 WeakPolarHBondContact OD1-CB 3.11Å; D90-H320 IonicContact OD1-CE1 3.89Å; D90-H320 IonicContact OD1-CG 3.65Å; D90-H320 PolarHBondContact OD1-N 3.33Å; D90-H320 IonicContact OD1-ND1 3.55Å; D90-H320 PolarHBondContact OD1-ND1 2.98Å; L93-H320 VanDerWaalsContact CB-CE1 3.45Å; L93-H320 WeakPolarHBondContact CB-CE1 3.48Å; L93-H320 HydrophobicContact CD1-CB 3.95Å; S94-H320 PolarHBondContact N-CE1 3.03Å; S94-H320 VanDerWaalsContact N-CE1 3.26Å; S94-H320 PolarHBondContact OG-CE1 3.23Å; S94-H320 VanDerWaalsContact OG-CE1 3.23Å; D97-H320 IonicContact OD2-NE2 3.26Å; D97-H320 PolarHBondContact OD2-NE2 2.98Å; P318-H320 WeakPolarHBondContact CB-O 3.24Å; P318-H320 WeakPolarHBondContact CG-O 3.4Å; P318-H320 PolarHBondContact O-N 3.06Å; H320-L381 HydrophobicContact CB-CD2 3.89Å
321V94.9Very high93.4Very high10 Ų1023.9 Ų23.96%0.06112%0.123CC..EExtended strand (participates in β ladder)trans-126.9144.3-178.5-650000111.6W62 N64 P318 E328W62-V321 PolarHBondContact N-O 3.44Å; W62-V321 PolarHBondContact O-N 3.36Å; N64-V321 HydrophobicContact CB-CG1 4.01Å; P318-V321 HydrophobicContact CG-CG1 4.37Å; V321-E328 HydrophobicContact CB-CB 4.21Å
322L92.1Very high93.7Very high1 Ų118.4 Ų18.41%0.00510%0.096CC..EExtended strand (participates in β ladder)trans-94.6118.7166.7-176.966000108.8C59 V61 R324 G325 S327 E328 F374 V377 L381C59-L322 HydrophobicContact CB-CD1 3.92Å; V61-L322 HydrophobicContact CG2-CD1 4.45Å; L322-R324 PolarHBondContact O-N 2.91Å; L322-G325 PolarHBondContact O-N 3.29Å; L322-S327 PolarHBondContact N-OG 3.45Å; L322-E328 VanDerWaalsContact O-CB 3.26Å; L322-E328 WeakPolarHBondContact O-CB 3.35Å; L322-F374 HydrophobicContact CD1-CD1 3.99Å; L322-F374 HydrophobicContact CD1-CE1 4.41Å; L322-F374 HydrophobicContact CD2-CB 3.8Å; L322-F374 HydrophobicContact CD2-CD1 3.76Å; L322-F374 HydrophobicContact CD2-CG 4.28Å; L322-F374 WeakPolarHBondContact CD2-O 3.48Å; L322-F374 HydrophobicContact CG-CD1 3.86Å; L322-V377 HydrophobicContact CD1-CG1 4.2Å; L322-V377 HydrophobicContact CD2-CB 3.8Å; L322-V377 HydrophobicContact CD2-CG1 4.11Å; L322-L381 HydrophobicContact CB-CD1 4.1Å
323K87.5Confident94Very high32 Ų3216.9 Ų16.914%0.1399%0.089CC..THydrogen-bonded Turntrans-57.5137.9175.5-69.5-169.2173-159.20109.9P252 K253 G325P252-K323 PolarHBondContact O-NZ 3.4Å; K253-K323 PolarHBondContact O-NZ 3.25Å; K323-G325 PolarHBondContact O-N 3.47Å
324R86Confident94.4Very high63 Ų6315.5 Ų15.524%0.2387%0.071CC..THydrogen-bonded Turntrans70.3-0.2-176.2-44.5178.4165.9-103.58.3115.1E299 F300 N301 L322 E328 F371E299-R324 PolarHBondContact O-NH1 2.93Å; F300-R324 HydrophobicContact CE1-CG 4.42Å; F300-R324 HydrophobicContact CE2-CG 4.33Å; F300-R324 HydrophobicContact CZ-CG 4.21Å; F300-R324 WeakPolarHBondContact O-CB 3.14Å; F300-R324 VanDerWaalsContact O-CG 3.23Å; F300-R324 WeakPolarHBondContact O-CG 3.31Å; F300-R324 PolarHBondContact O-NH1 3.06Å; F300-R324 VanDerWaalsContact O-NH1 3.16Å; N301-R324 VanDerWaalsContact ND2-C 3.32Å; N301-R324 WeakPolarHBondContact ND2-CA 3.32Å; L322-R324 PolarHBondContact O-N 2.91Å; R324-E328 PolarHBondContact N-OE2 3.13Å; R324-F371 HydrophobicContact CB-CE1 4.23Å
325G89.4Confident94.9Very high0 Ų013.8 Ų13.80%06%0.062CC..SBendtrans-92178.8-179.900000114.6N301 L322 K323 S327 A329 D378N301-G325 PolarHBondContact ND2-O 3.22Å; L322-G325 PolarHBondContact O-N 3.29Å; K323-G325 PolarHBondContact O-N 3.47Å; G325-S327 VanDerWaalsContact C-N 3.33Å; G325-A329 WeakPolarHBondContact O-CB 3.44Å; G325-A329 PolarHBondContact O-N 3.16Å; G325-A329 VanDerWaalsContact O-N 3.14Å; G325-D378 VanDerWaalsContact C-OD2 3.3Å; G325-D378 WeakPolarHBondContact CA-OD2 3.38Å
326D91.9Very high95.1Very high5 Ų513.3 Ų13.33%0.0276%0.06CC..Hα-helixtrans-62.3-38.6170.9-94.1-73.7000112Y307 K312 E328 A329 I330 D378 L382 L388 S389Y307-D326 VanDerWaalsContact CE2-OD1 3.31Å; Y307-D326 WeakPolarHBondContact CE2-OD1 3.47Å; Y307-D326 PolarHBondContact OH-OD1 3.39Å; K312-D326 IonicContact NZ-OD1 3.29Å; K312-D326 PolarHBondContact NZ-OD1 2.92Å; D326-E328 PolarHBondContact O-N 3.3Å; D326-A329 WeakPolarHBondContact O-CB 3.48Å; D326-A329 PolarHBondContact O-N 3.44Å; D326-A329 VanDerWaalsContact O-N 3.11Å; D326-I330 WeakPolarHBondContact O-CD1 3.22Å; D326-I330 VanDerWaalsContact O-CG1 3.24Å; D326-I330 WeakPolarHBondContact O-CG1 3.38Å; D326-I330 PolarHBondContact O-N 3.24Å; D326-D378 PolarHBondContact N-OD2 3.27Å; D326-L382 HydrophobicContact CB-CD1 3.62Å; D326-L388 HydrophobicContact CB-CD2 4.44Å; D326-S389 WeakPolarHBondContact OD1-CB 3.34Å; D326-S389 PolarHBondContact OD1-OG 3.3Å; D326-S389 WeakPolarHBondContact OD2-CA 3.42Å; D326-S389 WeakPolarHBondContact OD2-CB 3.41Å; D326-S389 PolarHBondContact OD2-N 3.48Å; D326-S389 PolarHBondContact OD2-OG 2.93Å
327S95.3Very high95.1Very high0 Ų012.5 Ų12.50%06%0.056CC..Hα-helixtrans-62.7-44-178.653.40000112.1L322 G325 A329 S331 D378L322-S327 PolarHBondContact N-OG 3.45Å; G325-S327 VanDerWaalsContact C-N 3.33Å; S327-A329 VanDerWaalsContact C-N 3.33Å; S327-S331 WeakPolarHBondContact O-CB 3.41Å; S327-S331 PolarHBondContact O-N 2.88Å; S327-D378 WeakPolarHBondContact CB-OD1 3.4Å; S327-D378 PolarHBondContact N-OD1 3.44Å; S327-D378 PolarHBondContact OG-OD1 3.42Å
328E95Very high95.1Very high10 Ų1017.1 Ų17.15%0.0478%0.077CC..Hα-helixtrans-64.5-39171.7-175.6-171.2-136.900111.2S254 A255 F300 N301 V321 L322 R324 D326 S331 Y332S254-E328 WeakPolarHBondContact CA-OE1 3.45Å; A255-E328 HydrophobicContact CB-CG 3.69Å; A255-E328 PolarHBondContact N-OE1 3.2Å; F300-E328 WeakPolarHBondContact CE1-OE2 3.48Å; N301-E328 PolarHBondContact ND2-OE2 3.33Å; V321-E328 HydrophobicContact CB-CB 4.21Å; L322-E328 VanDerWaalsContact O-CB 3.26Å; L322-E328 WeakPolarHBondContact O-CB 3.35Å; R324-E328 PolarHBondContact N-OE2 3.13Å; D326-E328 PolarHBondContact O-N 3.3Å; E328-S331 PolarHBondContact O-N 2.79Å; E328-Y332 WeakPolarHBondContact O-CB 3.45Å; E328-Y332 PolarHBondContact O-N 2.72Å
329A95.5Very high95.2Very high0 Ų017.1 Ų17.10%08%0.077CC..Hα-helixtrans-64.2-43.9-179.900000112.9H303 V304 Y307 G325 D326 S327 A333H303-A329 HydrophobicContact CB-CB 3.73Å; V304-A329 HydrophobicContact CB-CB 4.37Å; V304-A329 HydrophobicContact CG2-CB 3.66Å; Y307-A329 HydrophobicContact CD2-CB 3.84Å; Y307-A329 HydrophobicContact CE2-CB 3.87Å; G325-A329 WeakPolarHBondContact O-CB 3.44Å; G325-A329 PolarHBondContact O-N 3.16Å; G325-A329 VanDerWaalsContact O-N 3.14Å; D326-A329 WeakPolarHBondContact O-CB 3.48Å; D326-A329 PolarHBondContact O-N 3.44Å; D326-A329 VanDerWaalsContact O-N 3.11Å; S327-A329 VanDerWaalsContact C-N 3.33Å; A329-A333 VanDerWaalsContact O-CB 3.23Å; A329-A333 WeakPolarHBondContact O-CB 3.35Å; A329-A333 PolarHBondContact O-N 2.89Å
330I96.9Very high95.2Very high0 Ų016.9 Ų16.90%08%0.076CC..Hα-helixtrans-62.1-48.7173.7-66157.8000109.5Y307 I315 P317 D326 Y332 A333 F334 L382 H386Y307-I330 HydrophobicContact CD1-CG1 4.28Å; Y307-I330 HydrophobicContact CD2-CG1 4.49Å; Y307-I330 HydrophobicContact CE1-CD1 4.41Å; Y307-I330 HydrophobicContact CE1-CG1 3.64Å; Y307-I330 HydrophobicContact CE2-CG1 3.89Å; Y307-I330 VanDerWaalsContact CZ-CG1 3.41Å; I315-I330 HydrophobicContact CD1-CD1 4.19Å; I315-I330 HydrophobicContact CG1-CD1 4.03Å; I315-I330 HydrophobicContact CG1-CG2 3.99Å; P317-I330 HydrophobicContact CB-CG2 4.42Å; D326-I330 WeakPolarHBondContact O-CD1 3.22Å; D326-I330 VanDerWaalsContact O-CG1 3.24Å; D326-I330 WeakPolarHBondContact O-CG1 3.38Å; D326-I330 PolarHBondContact O-N 3.24Å; I330-Y332 PolarHBondContact O-N 2.98Å; I330-A333 PolarHBondContact O-N 3.02Å; I330-F334 WeakPolarHBondContact O-CB 3.03Å; I330-F334 PolarHBondContact O-N 3.39Å; I330-L382 HydrophobicContact CD1-CD1 3.83Å; I330-L382 HydrophobicContact CD1-CD2 3.73Å; I330-L382 HydrophobicContact CD1-CG 4.46Å; I330-H386 WeakPolarHBondContact CD1-NE2 3.42Å
331S96.9Very high95.3Very high10 Ų1021.7 Ų21.77%0.079%0.094CC..Hα-helixtrans-57.5-47.4179.3-1730000112.1N64 S327 E328 W335N64-S331 VanDerWaalsContact CG-OG 3.24Å; N64-S331 PolarHBondContact ND2-OG 3.27Å; N64-S331 PolarHBondContact OD1-OG 3.47Å; S327-S331 WeakPolarHBondContact O-CB 3.41Å; S327-S331 PolarHBondContact O-N 2.88Å; E328-S331 PolarHBondContact O-N 2.79Å; S331-W335 VanDerWaalsContact O-CD1 3.28Å
332Y97.9Very high95.4Very high3 Ų324.7 Ų24.71%0.01210%0.104CC..Hα-helixtrans-62.6-55177177.6-99.3000111.7A255 Y259 V304 L308 E328 I330 F334 W335 H336 W340A255-Y332 HydrophobicContact CB-CD2 4.44Å; A255-Y332 HydrophobicContact CB-CG 4.19Å; Y259-Y332 VanDerWaalsContact CB-OH 3.24Å; Y259-Y332 WeakPolarHBondContact CB-OH 3.4Å; Y259-Y332 HydrophobicContact CD1-CE1 4.35Å; Y259-Y332 HydrophobicContact CG-CD1 4.45Å; Y259-Y332 AromaticContact CG-CE1 3.91Å; Y259-Y332 HydrophobicContact CG-CE1 3.91Å; V304-Y332 HydrophobicContact CG1-CD1 3.59Å; V304-Y332 HydrophobicContact CG1-CE1 3.95Å; V304-Y332 HydrophobicContact CG2-CD1 4.37Å; L308-Y332 HydrophobicContact CD1-CE1 4.1Å; L308-Y332 HydrophobicContact CD2-CE1 4.22Å; E328-Y332 WeakPolarHBondContact O-CB 3.45Å; E328-Y332 PolarHBondContact O-N 2.72Å; I330-Y332 PolarHBondContact O-N 2.98Å; Y332-F334 PolarHBondContact O-N 3.34Å; Y332-W335 PolarHBondContact O-N 3.24Å; Y332-H336 HydrophobicContact CD1-CB 4.35Å; Y332-H336 HydrophobicContact CD2-CB 4.25Å; Y332-H336 AromaticContact CD2-CE1 3.89Å; Y332-H336 AromaticContact CD2-CG 3.75Å; Y332-H336 AromaticContact CD2-ND1 3.56Å; Y332-H336 HydrophobicContact CE1-CB 3.86Å; Y332-H336 HydrophobicContact CE2-CB 3.75Å; Y332-H336 AromaticContact CE2-CD2 3.44Å; Y332-H336 VanDerWaalsContact CE2-CD2 3.44Å; Y332-H336 WeakPolarHBondContact CE2-CD2 3.28Å; Y332-H336 AromaticContact CE2-CE1 3.94Å; Y332-H336 AromaticContact CE2-CG 3.33Å; Y332-H336 AromaticContact CE2-ND1 3.64Å; Y332-H336 AromaticContact CE2-NE2 3.82Å; Y332-H336 AromaticContact CZ-CD2 3.94Å; Y332-H336 AromaticContact CZ-CG 3.67Å; Y332-H336 WeakPolarHBondContact O-CB 3.22Å; Y332-H336 PolarHBondContact O-N 2.7Å; Y332-H336 PolarHBondContact O-ND1 3.09Å; Y332-W340 AromaticContact CE1-NE1 3.89Å; Y332-W340 AromaticContact CZ-NE1 3.89Å; Y332-W340 PolarHBondContact OH-NE1 3.37Å
333A98.1Very high95.6Very high0 Ų025.4 Ų25.40%011%0.108CC..Hα-helixtrans-68.6-33.6-17100000112.8L308 F314 A329 I330 W335 H336 L337L308-A333 HydrophobicContact CD2-CB 3.82Å; L308-A333 HydrophobicContact CG-CB 4.16Å; F314-A333 HydrophobicContact CE1-CB 3.66Å; F314-A333 HydrophobicContact CZ-CB 4.41Å; A329-A333 VanDerWaalsContact O-CB 3.23Å; A329-A333 WeakPolarHBondContact O-CB 3.35Å; A329-A333 PolarHBondContact O-N 2.89Å; I330-A333 PolarHBondContact O-N 3.02Å; A333-W335 PolarHBondContact O-N 3.44Å; A333-H336 PolarHBondContact O-N 3.4Å; A333-L337 VanDerWaalsContact O-CB 3.24Å; A333-L337 WeakPolarHBondContact O-CB 3.46Å; A333-L337 PolarHBondContact O-N 2.95Å
334F97.6Very high96Very high71 Ų7130.9 Ų30.931%0.31113%0.134SC..Hα-helixtrans-55-40.3174.5-176.9-86.4000112.1L68 L316 P317 I330 Y332L68-F334 HydrophobicContact CD2-CE1 4.41Å; L316-F334 HydrophobicContact CD2-CE2 3.94Å; L316-F334 HydrophobicContact CD2-CZ 4.11Å; P317-F334 HydrophobicContact CG-CD1 4.14Å; P317-F334 HydrophobicContact CG-CG 4.22Å; I330-F334 WeakPolarHBondContact O-CB 3.03Å; I330-F334 PolarHBondContact O-N 3.39Å; Y332-F334 PolarHBondContact O-N 3.34Å
335W96.9Very high96.5Very high27 Ų2728.9 Ų28.910%0.10213%0.133CC..Hα-helixtrans-92.1-30.8-179-69.5107.4000113.9M66 L68 E228 S331 Y332 A333M66-W335 HydrophobicContact CB-CG 4.41Å; M66-W335 HydrophobicContact CE-CB 4.21Å; M66-W335 HydrophobicContact CE-CD2 3.37Å; M66-W335 HydrophobicContact CE-CE3 3.79Å; M66-W335 HydrophobicContact CE-CG 3.54Å; M66-W335 HydrophobicContact CE-CZ2 4.2Å; M66-W335 HydrophobicContact CE-CZ3 4.42Å; M66-W335 PolarHBondContact O-NE1 2.85Å; L68-W335 HydrophobicContact CD2-CH2 4.18Å; L68-W335 HydrophobicContact CD2-CZ2 3.45Å; L68-W335 VanDerWaalsContact CD2-CZ2 3.45Å; E228-W335 HydrophobicContact CG-CB 4.15Å; S331-W335 VanDerWaalsContact O-CD1 3.28Å; Y332-W335 PolarHBondContact O-N 3.24Å; A333-W335 PolarHBondContact O-N 3.44Å
336H98.4Very high96.9Very high2 Ų228.9 Ų28.91%0.00913%0.133CC..Hα-helixtrans-105.1-10.7-167.6-63.672.7000114.4Y332 A333 E338 H339 W340Y332-H336 HydrophobicContact CD1-CB 4.35Å; Y332-H336 HydrophobicContact CD2-CB 4.25Å; Y332-H336 AromaticContact CD2-CE1 3.89Å; Y332-H336 AromaticContact CD2-CG 3.75Å; Y332-H336 AromaticContact CD2-ND1 3.56Å; Y332-H336 HydrophobicContact CE1-CB 3.86Å; Y332-H336 HydrophobicContact CE2-CB 3.75Å; Y332-H336 AromaticContact CE2-CD2 3.44Å; Y332-H336 VanDerWaalsContact CE2-CD2 3.44Å; Y332-H336 WeakPolarHBondContact CE2-CD2 3.28Å; Y332-H336 AromaticContact CE2-CE1 3.94Å; Y332-H336 AromaticContact CE2-CG 3.33Å; Y332-H336 AromaticContact CE2-ND1 3.64Å; Y332-H336 AromaticContact CE2-NE2 3.82Å; Y332-H336 AromaticContact CZ-CD2 3.94Å; Y332-H336 AromaticContact CZ-CG 3.67Å; Y332-H336 WeakPolarHBondContact O-CB 3.22Å; Y332-H336 PolarHBondContact O-N 2.7Å; Y332-H336 PolarHBondContact O-ND1 3.09Å; A333-H336 PolarHBondContact O-N 3.4Å; H336-E338 PolarHBondContact O-N 3.37Å; H336-H339 AromaticContact CD2-CD2 3.76Å; H336-H339 WeakPolarHBondContact O-CB 3.46Å; H336-H339 PolarHBondContact O-N 3.05Å; H336-W340 PolarHBondContact O-N 2.99Å
337L98.2Very high97.1Very high14 Ų1430.3 Ų30.37%0.07314%0.141CC..Hα-helixtrans-50.4-45.3178.1171.861.8000112L308 E310 F314 A333 H339 W340 R341 L347L308-L337 HydrophobicContact CD2-CB 4.32Å; L308-L337 HydrophobicContact CD2-CD1 4.48Å; L308-L337 WeakPolarHBondContact O-CD1 3.28Å; E310-L337 HydrophobicContact CG-CD2 4.13Å; F314-L337 HydrophobicContact CE2-CD2 3.66Å; F314-L337 HydrophobicContact CZ-CB 4.46Å; F314-L337 HydrophobicContact CZ-CD2 3.69Å; A333-L337 VanDerWaalsContact O-CB 3.24Å; A333-L337 WeakPolarHBondContact O-CB 3.46Å; A333-L337 PolarHBondContact O-N 2.95Å; L337-H339 VanDerWaalsContact C-N 3.25Å; L337-H339 PolarHBondContact O-N 3.43Å; L337-W340 WeakPolarHBondContact O-CB 3.43Å; L337-W340 PolarHBondContact O-N 3.11Å; L337-W340 VanDerWaalsContact O-N 3.09Å; L337-R341 HydrophobicContact CD1-CG 4.26Å; L337-R341 HydrophobicContact CG-CG 4.48Å; L337-R341 PolarHBondContact O-N 2.95Å; L337-L347 HydrophobicContact CD1-CD1 4.5Å
338E97.5Very high97.1Very high96 Ų9634 Ų3445%0.44916%0.16SC..Hα-helixtrans-66-30.5-178.1-167.355.2-15000112.3H336 W340 R341 R342H336-E338 PolarHBondContact O-N 3.37Å; E338-W340 VanDerWaalsContact C-N 3.35Å; E338-R341 PolarHBondContact O-N 3.05Å; E338-R341 IonicContact OE2-NH1 3.37Å; E338-R341 PolarHBondContact OE2-NH1 3.28Å; E338-R342 WeakPolarHBondContact O-CB 3.41Å; E338-R342 PolarHBondContact O-N 3.44Å
339H98.5Very high97.1Very high4 Ų433.5 Ų33.52%0.01916%0.158CC..Hα-helixtrans-69-34.7174.1-53.8-26000112.2E228 L231 E232 L263 H336 L337 R342E228-H339 IonicContact OE1-CE1 3.23Å; E228-H339 IonicContact OE1-NE2 2.7Å; L231-H339 VanDerWaalsContact CB-CD2 3.5Å; L231-H339 WeakPolarHBondContact CB-CD2 3.4Å; E232-H339 IonicContact OE2-CE1 3.25Å; E232-H339 PolarHBondContact OE2-CE1 3.08Å; E232-H339 IonicContact OE2-ND1 3.74Å; L263-H339 HydrophobicContact CD2-CB 3.88Å; H336-H339 AromaticContact CD2-CD2 3.76Å; H336-H339 WeakPolarHBondContact O-CB 3.46Å; H336-H339 PolarHBondContact O-N 3.05Å; L337-H339 VanDerWaalsContact C-N 3.25Å; L337-H339 PolarHBondContact O-N 3.43Å; H339-R342 PolarHBondContact ND1-NH1 2.73Å; H339-R342 VanDerWaalsContact ND1-NH1 3.16Å
340W98.5Very high97.1Very high1 Ų133.5 Ų33.50%0.00416%0.158CC..Hα-helixtrans-69.8-44.5172.7-77.184000111.5Y259 L263 V266 L308 Y332 H336 L337 E338 R342 V343 A346 L347 L350Y259-W340 AromaticContact CD1-CZ2 3.98Å; Y259-W340 HydrophobicContact CD1-CZ2 3.98Å; L263-W340 HydrophobicContact CB-CH2 4.31Å; L263-W340 HydrophobicContact CB-CZ2 3.86Å; L263-W340 HydrophobicContact CD1-CD2 3.82Å; L263-W340 HydrophobicContact CD1-CE3 3.95Å; L263-W340 HydrophobicContact CD1-CG 4.14Å; L263-W340 HydrophobicContact CD1-CZ3 4.37Å; L263-W340 HydrophobicContact CD2-CG 4.42Å; V266-W340 HydrophobicContact CG1-CZ3 4.49Å; V266-W340 HydrophobicContact CG2-CZ3 4.49Å; L308-W340 HydrophobicContact CD1-CD2 4.2Å; L308-W340 HydrophobicContact CD1-CG 4.32Å; L308-W340 HydrophobicContact CD1-CZ2 4.39Å; L308-W340 HydrophobicContact CD2-CG 4.37Å; Y332-W340 AromaticContact CE1-NE1 3.89Å; Y332-W340 AromaticContact CZ-NE1 3.89Å; Y332-W340 PolarHBondContact OH-NE1 3.37Å; H336-W340 PolarHBondContact O-N 2.99Å; L337-W340 WeakPolarHBondContact O-CB 3.43Å; L337-W340 PolarHBondContact O-N 3.11Å; L337-W340 VanDerWaalsContact O-N 3.09Å; E338-W340 VanDerWaalsContact C-N 3.35Å; W340-R342 VanDerWaalsContact C-N 3.3Å; W340-R342 PolarHBondContact O-N 3Å; W340-V343 PolarHBondContact O-N 3.47Å; W340-A346 HydrophobicContact CE3-CB 4.01Å; W340-L347 HydrophobicContact CB-CD2 3.72Å; W340-L347 HydrophobicContact CB-CG 4.23Å; W340-L347 HydrophobicContact CE3-CD2 4.47Å; W340-L347 HydrophobicContact CG-CD2 4.38Å; W340-L350 HydrophobicContact CE3-CB 4.43Å; W340-L350 HydrophobicContact CE3-CD2 4.26Å; W340-L350 HydrophobicContact CH2-CD1 4.35Å; W340-L350 HydrophobicContact CZ3-CB 3.97Å; W340-L350 HydrophobicContact CZ3-CD1 4.43Å; W340-L350 HydrophobicContact CZ3-CD2 4.22Å; W340-L350 HydrophobicContact CZ3-CG 4.44Å
341R97.6Very high96.9Very high106 Ų10638.3 Ų38.340%0.418%0.176SC..Hα-helixtrans-60.9-36.9177.5-76.3-179.6179.2163.8-6.3113.5E310 L337 E338 V343 L347E310-R341 IonicContact OE1-CZ 3.79Å; E310-R341 IonicContact OE1-NH2 2.79Å; E310-R341 PolarHBondContact OE1-NH2 3.25Å; E310-R341 IonicContact OE2-CZ 2.7Å; E310-R341 IonicContact OE2-NE 3.7Å; E310-R341 IonicContact OE2-NH2 3.35Å; E310-R341 PolarHBondContact OE2-NH2 3.13Å; L337-R341 HydrophobicContact CD1-CG 4.26Å; L337-R341 HydrophobicContact CG-CG 4.48Å; L337-R341 PolarHBondContact O-N 2.95Å; E338-R341 PolarHBondContact O-N 3.05Å; E338-R341 IonicContact OE2-NH1 3.37Å; E338-R341 PolarHBondContact OE2-NH1 3.28Å; R341-V343 PolarHBondContact O-N 3.3Å; R341-L347 HydrophobicContact CG-CD1 3.74Å
342R97.3Very high96.5Very high74 Ų7439.7 Ų39.728%0.27919%0.186SC..THydrogen-bonded Turntrans-60.7-23178.7-171.2179.3-62.6140.22.5113.3L231 E232 E338 H339 W340L231-R342 PolarHBondContact O-NH1 3.32Å; E232-R342 IonicContact OE2-CZ 2.78Å; E232-R342 IonicContact OE2-NH1 3.36Å; E232-R342 IonicContact OE2-NH2 2.85Å; E232-R342 PolarHBondContact OE2-NH2 2.97Å; E338-R342 WeakPolarHBondContact O-CB 3.41Å; E338-R342 PolarHBondContact O-N 3.44Å; H339-R342 PolarHBondContact ND1-NH1 2.73Å; H339-R342 VanDerWaalsContact ND1-NH1 3.16Å; W340-R342 VanDerWaalsContact C-N 3.3Å; W340-R342 PolarHBondContact O-N 3Å
343V97.1Very high96.1Very high16 Ų1640 Ų4010%0.09719%0.188CC..SBendtrans-98.4104.7178.5-1770000108.2L263 R267 A270 W340 R341 G345 A346L263-V343 HydrophobicContact CD1-CB 4.45Å; L263-V343 HydrophobicContact CD1-CG2 4.03Å; R267-V343 HydrophobicContact CB-CG1 4.31Å; R267-V343 HydrophobicContact CG-CB 4.23Å; R267-V343 HydrophobicContact CG-CG1 3.73Å; R267-V343 HydrophobicContact CG-CG2 3.43Å; R267-V343 VanDerWaalsContact CG-CG2 3.43Å; A270-V343 HydrophobicContact CB-CG1 4.1Å; W340-V343 PolarHBondContact O-N 3.47Å; R341-V343 PolarHBondContact O-N 3.3Å; V343-G345 PolarHBondContact O-N 2.87Å; V343-A346 HydrophobicContact CB-CB 3.71Å; V343-A346 HydrophobicContact CG1-CB 3.78Å; V343-A346 WeakPolarHBondContact O-CB 3.4Å; V343-A346 PolarHBondContact O-N 2.79Å
344E96.1Very high95.5Very high147 Ų14740.8 Ų40.869%0.68719%0.191SC*.THydrogen-bonded Turntrans-55.4130.4-179.1-170.8172.717900111.4A270 E271 A346A270-E344 CarbonylContact C-O 3.49Å; A270-E344 WeakPolarHBondContact CB-O 3.31Å; E271-E344 PolarHBondContact N-O 3.17Å; E344-A346 VanDerWaalsContact C-N 3.27Å; E344-A346 PolarHBondContact O-N 3.36Å
345G95.6Very high94.9Very high20 Ų2041.6 Ų41.621%0.20620%0.195CC..THydrogen-bonded Turntrans77.4-4.5-177.200000115.7V343 L347 D348 L349V343-G345 PolarHBondContact O-N 2.87Å; G345-L347 PolarHBondContact O-N 3.4Å; G345-D348 PolarHBondContact O-N 3.33Å; G345-L349 PolarHBondContact O-N 3Å
346A97.7Very high93.9Very high0 Ų042.1 Ų42.10%021%0.209CC..Hα-helixtrans-66.3-41.3-176.300000113.1L263 V266 A270 W340 V343 E344 D348 L349 L350L263-A346 HydrophobicContact CD1-CB 4.44Å; V266-A346 HydrophobicContact CG1-CB 3.5Å; V266-A346 VanDerWaalsContact CG1-CB 3.5Å; A270-A346 HydrophobicContact CB-CB 4.39Å; W340-A346 HydrophobicContact CE3-CB 4.01Å; V343-A346 HydrophobicContact CB-CB 3.71Å; V343-A346 HydrophobicContact CG1-CB 3.78Å; V343-A346 WeakPolarHBondContact O-CB 3.4Å; V343-A346 PolarHBondContact O-N 2.79Å; E344-A346 VanDerWaalsContact C-N 3.27Å; E344-A346 PolarHBondContact O-N 3.36Å; A346-D348 VanDerWaalsContact C-N 3.35Å; A346-L349 PolarHBondContact O-N 3.02Å; A346-L350 WeakPolarHBondContact O-CB 3.39Å; A346-L350 PolarHBondContact O-N 2.95Å
347L97.2Very high92.6Very high36 Ų3642 Ų4219%0.18821%0.209CC..Hα-helixtrans-68.4-34.4176-69.3177000111.9L308 L309 L337 W340 R341 G345 L350 R351L308-L347 HydrophobicContact CB-CD2 4.32Å; L309-L347 HydrophobicContact CD2-CB 4.28Å; L309-L347 HydrophobicContact CD2-CD2 4.39Å; L309-L347 WeakPolarHBondContact CD2-O 3.39Å; L337-L347 HydrophobicContact CD1-CD1 4.5Å; W340-L347 HydrophobicContact CB-CD2 3.72Å; W340-L347 HydrophobicContact CB-CG 4.23Å; W340-L347 HydrophobicContact CE3-CD2 4.47Å; W340-L347 HydrophobicContact CG-CD2 4.38Å; R341-L347 HydrophobicContact CG-CD1 3.74Å; G345-L347 PolarHBondContact O-N 3.4Å; L347-L350 HydrophobicContact CD2-CD2 4.34Å; L347-L350 PolarHBondContact O-N 2.97Å; L347-R351 WeakPolarHBondContact O-CB 3.31Å; L347-R351 PolarHBondContact O-N 3.18Å
348D94.3Very high91.1Very high77 Ų7743.1 Ų43.141%0.41221%0.214SC..Hα-helixtrans-67.3-44175.1-67.7-49.7000111.4G345 A346 L350 R351 C352G345-D348 PolarHBondContact O-N 3.33Å; A346-D348 VanDerWaalsContact C-N 3.35Å; D348-L350 VanDerWaalsContact C-N 3.34Å; D348-L350 PolarHBondContact O-N 2.71Å; D348-R351 PolarHBondContact O-N 2.86Å; D348-R351 IonicContact OD1-CZ 3.07Å; D348-R351 VanDerWaalsContact OD1-CZ 3.29Å; D348-R351 IonicContact OD1-NH1 3.87Å; D348-R351 PolarHBondContact OD1-NH1 3.04Å; D348-R351 IonicContact OD1-NH2 2.64Å; D348-R351 PolarHBondContact OD1-NH2 3.03Å; D348-C352 PolarHBondContact O-N 3.06Å; D348-C352 PolarHBondContact O-SG 3.04Å; D348-C352 VanDerWaalsContact O-SG 3.35Å
349L95.1Very high89.5Confident0 Ų044.6 Ų44.60%022%0.224CC..Hα-helixtrans-63-40.2174.4178.357.7000111.6V266 V269 F273 V291 I294 G345 A346 T353V266-L349 HydrophobicContact CB-CD2 4.45Å; V266-L349 HydrophobicContact CG1-CD2 4.11Å; V266-L349 HydrophobicContact CG2-CD2 3.99Å; V269-L349 HydrophobicContact CG2-CD2 3.9Å; F273-L349 HydrophobicContact CD1-CB 4.22Å; F273-L349 HydrophobicContact CD1-CD1 3.66Å; F273-L349 HydrophobicContact CD1-CG 4.44Å; F273-L349 HydrophobicContact CD2-CD1 3.99Å; F273-L349 HydrophobicContact CE1-CD1 3.48Å; F273-L349 VanDerWaalsContact CE1-CD1 3.48Å; F273-L349 HydrophobicContact CE2-CD1 3.82Å; F273-L349 HydrophobicContact CG-CD1 3.9Å; F273-L349 HydrophobicContact CZ-CD1 3.56Å; V291-L349 HydrophobicContact CG2-CD1 4.09Å; I294-L349 HydrophobicContact CD1-CD2 4.33Å; I294-L349 HydrophobicContact CD1-CG 3.91Å; G345-L349 PolarHBondContact O-N 3Å; A346-L349 PolarHBondContact O-N 3.02Å; L349-T353 WeakPolarHBondContact O-CB 3.36Å; L349-T353 PolarHBondContact O-N 3.35Å; L349-T353 PolarHBondContact O-OG1 3.08Å
350L95.8Very high87.7Confident0 Ų047.2 Ų47.20%024%0.243CC..Hα-helixtrans-59.7-48.6173.1177.464.7000111.1I294 L308 L309 W340 A346 L347 D348 T353 W354I294-L350 HydrophobicContact CG2-CD1 3.7Å; L308-L350 HydrophobicContact CB-CD2 3.91Å; L308-L350 HydrophobicContact CD1-CD2 3.65Å; L308-L350 HydrophobicContact CG-CD2 4.48Å; L309-L350 HydrophobicContact CD2-CD2 4.38Å; L309-L350 HydrophobicContact CG-CD2 4.43Å; W340-L350 HydrophobicContact CE3-CB 4.43Å; W340-L350 HydrophobicContact CE3-CD2 4.26Å; W340-L350 HydrophobicContact CH2-CD1 4.35Å; W340-L350 HydrophobicContact CZ3-CB 3.97Å; W340-L350 HydrophobicContact CZ3-CD1 4.43Å; W340-L350 HydrophobicContact CZ3-CD2 4.22Å; W340-L350 HydrophobicContact CZ3-CG 4.44Å; A346-L350 WeakPolarHBondContact O-CB 3.39Å; A346-L350 PolarHBondContact O-N 2.95Å; L347-L350 HydrophobicContact CD2-CD2 4.34Å; L347-L350 PolarHBondContact O-N 2.97Å; D348-L350 VanDerWaalsContact C-N 3.34Å; D348-L350 PolarHBondContact O-N 2.71Å; L350-T353 PolarHBondContact O-N 3.35Å; L350-W354 WeakPolarHBondContact O-CB 3.25Å; L350-W354 PolarHBondContact O-N 3.29Å
351R92.9Very high85.3Confident100 Ų10051.5 Ų51.538%0.37727%0.269SS..Hα-helixtrans-58.5-53.3178.5-177176.965.4-129.8-10.2111.2L309 L347 D348 T353 W354 E355L309-R351 HydrophobicContact CD1-CB 4.03Å; L309-R351 HydrophobicContact CD1-CG 4.26Å; L309-R351 HydrophobicContact CD2-CB 3.93Å; L347-R351 WeakPolarHBondContact O-CB 3.31Å; L347-R351 PolarHBondContact O-N 3.18Å; D348-R351 PolarHBondContact O-N 2.86Å; D348-R351 IonicContact OD1-CZ 3.07Å; D348-R351 VanDerWaalsContact OD1-CZ 3.29Å; D348-R351 IonicContact OD1-NH1 3.87Å; D348-R351 PolarHBondContact OD1-NH1 3.04Å; D348-R351 IonicContact OD1-NH2 2.64Å; D348-R351 PolarHBondContact OD1-NH2 3.03Å; R351-T353 VanDerWaalsContact C-N 3.29Å; R351-T353 PolarHBondContact O-N 2.77Å; R351-W354 PolarHBondContact O-N 2.94Å; R351-E355 HydrophobicContact CG-CG 4.25Å; R351-E355 VanDerWaalsContact CG-OE1 3.31Å; R351-E355 WeakPolarHBondContact CG-OE1 3.47Å; R351-E355 WeakPolarHBondContact O-CB 3.33Å; R351-E355 WeakPolarHBondContact O-CG 3.43Å; R351-E355 PolarHBondContact O-N 2.97Å
352C89.4Confident83.1Confident40 Ų4053.8 Ų53.827%0.2729%0.29SS..Hα-helixtrans-57.9-42.4-179.9-69.50000112.2D348 G356D348-C352 PolarHBondContact O-N 3.06Å; D348-C352 PolarHBondContact O-SG 3.04Å; D348-C352 VanDerWaalsContact O-SG 3.35Å; C352-G356 PolarHBondContact O-N 3.45Å; C352-G356 VanDerWaalsContact O-N 3.08Å
353T87.6Confident80.8Confident9 Ų953.1 Ų53.16%0.05530%0.3CS..Hα-helixtrans-70.8-43.1-179.7-52.70000111.7V291 I294 L349 L350 R351 S357V291-T353 HydrophobicContact CG1-CG2 3.99Å; I294-T353 HydrophobicContact CB-CG2 3.9Å; I294-T353 HydrophobicContact CG2-CG2 3.58Å; L349-T353 WeakPolarHBondContact O-CB 3.36Å; L349-T353 PolarHBondContact O-N 3.35Å; L349-T353 PolarHBondContact O-OG1 3.08Å; L350-T353 PolarHBondContact O-N 3.35Å; R351-T353 VanDerWaalsContact C-N 3.29Å; R351-T353 PolarHBondContact O-N 2.77Å; T353-S357 WeakPolarHBondContact O-CB 3.29Å; T353-S357 PolarHBondContact O-N 3.23Å; T353-S357 PolarHBondContact O-OG 2.74Å
354W86.5Confident78.6Confident17 Ų1753.7 Ų53.76%0.06430%0.302CS..Hα-helixtrans-66.4-47.5179.617267.5000111.9P305 K306 L309 M311 L350 R351 G356 S357 M358P305-W354 HydrophobicContact CB-CB 4.29Å; P305-W354 HydrophobicContact CB-CD2 3.94Å; P305-W354 HydrophobicContact CB-CG 3.74Å; P305-W354 HydrophobicContact CG-CG 4.06Å; K306-W354 HydrophobicContact CD-CZ2 4.45Å; K306-W354 HydrophobicContact CG-CH2 3.92Å; K306-W354 HydrophobicContact CG-CZ2 3.72Å; L309-W354 HydrophobicContact CD1-CE3 3.78Å; L309-W354 HydrophobicContact CD1-CZ3 4.08Å; M311-W354 HydrophobicContact CE-CH2 4.05Å; M311-W354 HydrophobicContact CE-CZ3 4.05Å; M311-W354 HydrophobicContact SD-CH2 3.75Å; M311-W354 HydrophobicContact SD-CZ3 3.51Å; M311-W354 VanDerWaalsContact SD-CZ3 3.51Å; L350-W354 WeakPolarHBondContact O-CB 3.25Å; L350-W354 PolarHBondContact O-N 3.29Å; R351-W354 PolarHBondContact O-N 2.94Å; W354-G356 VanDerWaalsContact C-N 3.35Å; W354-G356 PolarHBondContact O-N 2.9Å; W354-S357 WeakPolarHBondContact O-CB 3.46Å; W354-S357 PolarHBondContact O-N 3.49Å; W354-M358 VanDerWaalsContact O-CG 3.27Å; W354-M358 WeakPolarHBondContact O-CG 3.36Å; W354-M358 PolarHBondContact O-N 3.41Å
355E83.9Confident76.4Confident87 Ų8750.4 Ų50.441%0.40730%0.3SS..Hα-helixtrans-59.8-45.1175.3-71.7174.7172.400111.2R351 S357 M358 L359R351-E355 HydrophobicContact CG-CG 4.25Å; R351-E355 VanDerWaalsContact CG-OE1 3.31Å; R351-E355 WeakPolarHBondContact CG-OE1 3.47Å; R351-E355 WeakPolarHBondContact O-CB 3.33Å; R351-E355 WeakPolarHBondContact O-CG 3.43Å; R351-E355 PolarHBondContact O-N 2.97Å; E355-S357 VanDerWaalsContact C-N 3.34Å; E355-S357 PolarHBondContact O-N 3.38Å; E355-M358 PolarHBondContact O-N 3.24Å; E355-L359 VanDerWaalsContact O-CG 3.29Å; E355-L359 WeakPolarHBondContact O-CG 3.32Å; E355-L359 PolarHBondContact O-N 2.92Å
356G76.4Confident74.1Confident39 Ų3951.7 Ų51.740%0.40230%0.303SS..Hα-helixtrans-59.8-41.9175.200000113C352 W354 L359 S360C352-G356 PolarHBondContact O-N 3.45Å; C352-G356 VanDerWaalsContact O-N 3.08Å; W354-G356 VanDerWaalsContact C-N 3.35Å; W354-G356 PolarHBondContact O-N 2.9Å; G356-L359 PolarHBondContact O-N 3.41Å; G356-S360 PolarHBondContact O-N 2.91Å
357S72Confident72Confident0 Ų052.3 Ų52.30%031%0.307CS..Hα-helixtrans-59.4-51.3175.3-54.50000111.2H295 T353 W354 E355 L359 S360 F364H295-S357 PolarHBondContact CE1-OG 3.08Å; H295-S357 PolarHBondContact ND1-OG 3.17Å; T353-S357 WeakPolarHBondContact O-CB 3.29Å; T353-S357 PolarHBondContact O-N 3.23Å; T353-S357 PolarHBondContact O-OG 2.74Å; W354-S357 WeakPolarHBondContact O-CB 3.46Å; W354-S357 PolarHBondContact O-N 3.49Å; E355-S357 VanDerWaalsContact C-N 3.34Å; E355-S357 PolarHBondContact O-N 3.38Å; S357-L359 PolarHBondContact O-N 2.91Å; S357-S360 PolarHBondContact O-N 3.2Å; S357-S360 PolarHBondContact O-OG 3.36Å; S357-F364 WeakPolarHBondContact O-CD2 3.22Å; S357-F364 WeakPolarHBondContact O-CE2 3.4Å
358M66.3Low69.9Low37 Ų3753.8 Ų53.818%0.18231%0.312CS..Hα-helixtrans-64.3-22.9-175.7-66.9-65.1140.200112.9V298 P302 W354 E355 F364 P392V298-M358 HydrophobicContact CG1-CE 3.75Å; P302-M358 HydrophobicContact CB-CE 4.21Å; W354-M358 VanDerWaalsContact O-CG 3.27Å; W354-M358 WeakPolarHBondContact O-CG 3.36Å; W354-M358 PolarHBondContact O-N 3.41Å; E355-M358 PolarHBondContact O-N 3.24Å; M358-F364 HydrophobicContact CE-CE1 4.25Å; M358-F364 HydrophobicContact CE-CZ 4.22Å; M358-P392 HydrophobicContact CG-CG 4.42Å; M358-P392 HydrophobicContact SD-CG 3.4Å; M358-P392 WeakPolarHBondContact SD-CG 3.48Å
359L62.9Low67.9Low126 Ų12653.5 Ų53.566%0.6632%0.321SS*.Hα-helixtrans-79.6-30.3174.7-67.9168.7000113.2E355 G356 S357 T361 K394E355-L359 VanDerWaalsContact O-CG 3.29Å; E355-L359 WeakPolarHBondContact O-CG 3.32Å; E355-L359 PolarHBondContact O-N 2.92Å; G356-L359 PolarHBondContact O-N 3.41Å; S357-L359 PolarHBondContact O-N 2.91Å; L359-T361 PolarHBondContact O-N 3.48Å; L359-K394 WeakPolarHBondContact O-CE 3.17Å; L359-K394 PolarHBondContact O-NZ 2.93Å
360S60.7Low66.1Low59 Ų5954.9 Ų54.941%0.41333%0.328SS..  trans-72.5121.8-178.368.80000112.3G356 S357G356-S360 PolarHBondContact O-N 2.91Å; S357-S360 PolarHBondContact O-N 3.2Å; S357-S360 PolarHBondContact O-OG 3.36Å
361T49.7Very low64.3Low91 Ų9155.4 Ų55.456%0.55833%0.33SS*.SBendtrans-73.2-28.8-165.4-44.80000114.6L359 K394L359-T361 PolarHBondContact O-N 3.48Å; T361-K394 PolarHBondContact OG1-NZ 3.31Å
362D50Low62.6Low154 Ų15457 Ų5782%0.82434%0.342SS*.THydrogen-bonded Turntrans-88-27.4-159.2-62.6-23.9000114.3
363A49.8Very low61.1Low61 Ų6160.4 Ų60.450%0.50435%0.353SS..THydrogen-bonded Turntrans-79.7-27.6-177.800000113.3
364F51Low60Low28 Ų2861.4 Ų61.412%0.12336%0.357CS..THydrogen-bonded Turntrans-110.6-8.1-156-69.9-62.6000116.5S357 M358 Y391S357-F364 WeakPolarHBondContact O-CD2 3.22Å; S357-F364 WeakPolarHBondContact O-CE2 3.4Å; M358-F364 HydrophobicContact CE-CE1 4.25Å; M358-F364 HydrophobicContact CE-CZ 4.22Å; F364-Y391 VanDerWaalsContact CB-OH 3.31Å; F364-Y391 WeakPolarHBondContact CB-OH 3.48Å; F364-Y391 WeakPolarHBondContact CD1-OH 3.36Å; F364-Y391 VanDerWaalsContact CG-OH 3.25Å; F364-Y391 WeakPolarHBondContact CG-OH 3.19Å
365A48.7Very low58.9Low78 Ų7862 Ų6265%0.64537%0.369SS*.THydrogen-bonded Turntrans-69.8-31178.500000113.3
366V48.6Very low58.4Low47 Ų4761 Ų6129%0.28537%0.371SS..THydrogen-bonded Turntrans-78.2-33.1179.4-178.20000111.3I51I51-V366 HydrophobicContact CB-CG1 4.11Å; I51-V366 HydrophobicContact CD1-CG1 4.03Å; I51-V366 HydrophobicContact CG2-CG1 3.72Å
367D52.9Low58.7Low13 Ų1360.3 Ų60.37%0.0736%0.359CS..Hα-helixtrans-68.6-33.7-177.3-89-2.9000113.6A369 I370 F371D367-A369 VanDerWaalsContact C-N 3.28Å; D367-A369 PolarHBondContact O-N 2.97Å; D367-I370 WeakPolarHBondContact O-CB 3.48Å; D367-I370 PolarHBondContact O-N 2.84Å; D367-F371 HydrophobicContact CB-CD2 3.83Å; D367-F371 HydrophobicContact CB-CE2 3.64Å; D367-F371 WeakPolarHBondContact O-CD2 3.28Å; D367-F371 PolarHBondContact O-N 3.48Å
368Q52.8Low59.6Low66 Ų6660.4 Ų60.431%0.30836%0.36SS..Hα-helixtrans-56.5-38.9-175.8-170.9175.548.300113.4I370 Q372 Y391Q368-I370 VanDerWaalsContact C-N 3.33Å; Q368-Q372 WeakPolarHBondContact O-CG 3.41Å; Q368-Q372 PolarHBondContact O-N 3.03Å; Q368-Q372 VanDerWaalsContact O-N 3.1Å; Q368-Y391 HydrophobicContact CG-CD1 4.35Å
369A53.8Low60.7Low71 Ų7164.5 Ų64.559%0.58737%0.373SS*.Hα-helixtrans-69.6-31.6178.500000112.6D367D367-A369 VanDerWaalsContact C-N 3.28Å; D367-A369 PolarHBondContact O-N 2.97Å
370I56.9Low62.1Low30 Ų3063.6 Ų63.615%0.15437%0.366CS..Hα-helixtrans-73.1-46.5177.4-67.5156.5000109.6I51 Y55 D367 Q368 Q372 H373 F374I51-I370 HydrophobicContact CG2-CD1 4.46Å; Y55-I370 HydrophobicContact CD2-CD1 3.31Å; Y55-I370 HydrophobicContact CD2-CG1 4.17Å; Y55-I370 HydrophobicContact CE2-CD1 3.27Å; Y55-I370 HydrophobicContact CG-CD1 4.31Å; D367-I370 WeakPolarHBondContact O-CB 3.48Å; D367-I370 PolarHBondContact O-N 2.84Å; Q368-I370 VanDerWaalsContact C-N 3.33Å; I370-Q372 VanDerWaalsContact C-N 3.32Å; I370-Q372 PolarHBondContact O-N 3.39Å; I370-H373 WeakPolarHBondContact O-CB 3.33Å; I370-H373 PolarHBondContact O-N 2.89Å; I370-H373 VanDerWaalsContact O-N 3.13Å; I370-F374 HydrophobicContact CG2-CD2 4.02Å; I370-F374 HydrophobicContact CG2-CE2 3.44Å; I370-F374 VanDerWaalsContact CG2-CE2 3.44Å; I370-F374 HydrophobicContact CG2-CZ 4.47Å; I370-F374 WeakPolarHBondContact O-CD2 3.41Å; I370-F374 PolarHBondContact O-N 3.24Å
371F58.6Low63.8Low11 Ų1160.9 Ų60.95%0.04835%0.346CS..Hα-helixtrans-64.5-31.6177.9-73.1-68.9000113.7P302 R324 D367 H373 F374 G375 Y391P302-F371 HydrophobicContact CG-CD1 4.07Å; P302-F371 HydrophobicContact CG-CD2 4.45Å; P302-F371 HydrophobicContact CG-CE1 3.55Å; P302-F371 HydrophobicContact CG-CE2 4Å; P302-F371 HydrophobicContact CG-CZ 3.54Å; R324-F371 HydrophobicContact CB-CE1 4.23Å; D367-F371 HydrophobicContact CB-CD2 3.83Å; D367-F371 HydrophobicContact CB-CE2 3.64Å; D367-F371 WeakPolarHBondContact O-CD2 3.28Å; D367-F371 PolarHBondContact O-N 3.48Å; F371-H373 VanDerWaalsContact C-N 3.29Å; F371-H373 PolarHBondContact O-N 3.46Å; F371-F374 PolarHBondContact O-N 2.92Å; F371-G375 PolarHBondContact O-N 3.41Å; F371-G375 VanDerWaalsContact O-N 3.14Å; F371-Y391 HydrophobicContact CB-CD2 3.96Å; F371-Y391 AromaticContact CD2-CD2 3.62Å; F371-Y391 HydrophobicContact CD2-CD2 3.62Å; F371-Y391 AromaticContact CD2-CE2 3.48Å; F371-Y391 HydrophobicContact CD2-CE2 3.48Å; F371-Y391 VanDerWaalsContact CD2-CE2 3.48Å; F371-Y391 HydrophobicContact CE2-CD2 4.38Å; F371-Y391 AromaticContact CE2-CE2 3.85Å; F371-Y391 HydrophobicContact CE2-CE2 3.85Å; F371-Y391 AromaticContact CG-CD2 3.85Å; F371-Y391 HydrophobicContact CG-CD2 3.85Å; F371-Y391 HydrophobicContact CG-CE2 4.16Å
372Q56.1Low65.9Low132 Ų13256.7 Ų56.762%0.61732%0.321SS*.Hα-helixtrans-62.2-34.7172.9-79.2178.2-000113Q368 I370 G375Q368-Q372 WeakPolarHBondContact O-CG 3.41Å; Q368-Q372 PolarHBondContact O-N 3.03Å; Q368-Q372 VanDerWaalsContact O-N 3.1Å; I370-Q372 VanDerWaalsContact C-N 3.32Å; I370-Q372 PolarHBondContact O-N 3.39Å; Q372-G375 PolarHBondContact O-N 3.42Å
373H58.5Low68.1Low112 Ų11249.6 Ų49.652%0.51928%0.283SS..Hα-helixtrans-71.2-35.6178.1-166.354.6000112.1C59 I370 F371 S376C59-H373 PolarHBondContact SG-CD2 3.42Å; I370-H373 WeakPolarHBondContact O-CB 3.33Å; I370-H373 PolarHBondContact O-N 2.89Å; I370-H373 VanDerWaalsContact O-N 3.13Å; F371-H373 VanDerWaalsContact C-N 3.29Å; F371-H373 PolarHBondContact O-N 3.46Å; H373-S376 PolarHBondContact O-OG 3.29Å; H373-S376 VanDerWaalsContact O-OG 3.09Å
374F63.1Low70.1Confident30 Ų3050.4 Ų50.413%0.13229%0.29CS..Hα-helixtrans-66.5-35.8173.9-69.4-67.9000112.6C59 L322 I370 F371 S376 V377 D378C59-F374 HydrophobicContact CB-CD1 4.37Å; C59-F374 HydrophobicContact CB-CE1 4.39Å; C59-F374 WeakPolarHBondContact SG-CD1 3.42Å; C59-F374 VanDerWaalsContact SG-CE1 3.55Å; L322-F374 HydrophobicContact CD1-CD1 3.99Å; L322-F374 HydrophobicContact CD1-CE1 4.41Å; L322-F374 HydrophobicContact CD2-CB 3.8Å; L322-F374 HydrophobicContact CD2-CD1 3.76Å; L322-F374 HydrophobicContact CD2-CG 4.28Å; L322-F374 WeakPolarHBondContact CD2-O 3.48Å; L322-F374 HydrophobicContact CG-CD1 3.86Å; I370-F374 HydrophobicContact CG2-CD2 4.02Å; I370-F374 HydrophobicContact CG2-CE2 3.44Å; I370-F374 VanDerWaalsContact CG2-CE2 3.44Å; I370-F374 HydrophobicContact CG2-CZ 4.47Å; I370-F374 WeakPolarHBondContact O-CD2 3.41Å; I370-F374 PolarHBondContact O-N 3.24Å; F371-F374 PolarHBondContact O-N 2.92Å; F374-S376 PolarHBondContact O-N 3.01Å; F374-S376 VanDerWaalsContact O-N 3.15Å; F374-V377 PolarHBondContact O-N 3.44Å; F374-D378 PolarHBondContact O-N 3.28Å
375G64.8Low72.1Confident30 Ų3053.5 Ų53.531%0.30930%0.3SS..Hα-helixtrans-60.5-24.7-177.800000115.7F371 Q372 R379 L388F371-G375 PolarHBondContact O-N 3.41Å; F371-G375 VanDerWaalsContact O-N 3.14Å; Q372-G375 PolarHBondContact O-N 3.42Å; G375-R379 PolarHBondContact O-N 3.06Å; G375-L388 WeakPolarHBondContact O-CD1 3.45Å
376S73.2Confident74.2Confident66 Ų6650.4 Ų50.446%0.46227%0.273SS..Hα-helixtrans-73.2-37.4177.259.40000112.8H373 F374 R379H373-S376 PolarHBondContact O-OG 3.29Å; H373-S376 VanDerWaalsContact O-OG 3.09Å; F374-S376 PolarHBondContact O-N 3.01Å; F374-S376 VanDerWaalsContact O-N 3.15Å; S376-R379 WeakPolarHBondContact O-CB 3.47Å; S376-R379 PolarHBondContact O-N 3.49Å
377V83.1Confident76.2Confident25 Ų2555.5 Ų55.515%0.15229%0.293CS..Hα-helixtrans-75-41.1179.9176.80000110.7C59 V61 L322 F374 R379 E380 L381C59-V377 HydrophobicContact CB-CG2 4.12Å; V61-V377 HydrophobicContact CG2-CG1 3.54Å; L322-V377 HydrophobicContact CD1-CG1 4.2Å; L322-V377 HydrophobicContact CD2-CB 3.8Å; L322-V377 HydrophobicContact CD2-CG1 4.11Å; F374-V377 PolarHBondContact O-N 3.44Å; V377-R379 PolarHBondContact O-N 3.2Å; V377-E380 PolarHBondContact O-N 3.13Å; V377-L381 HydrophobicContact CG1-CD1 4.26Å; V377-L381 PolarHBondContact O-N 3.42Å; V377-L381 VanDerWaalsContact O-N 3.15Å
378D89.9Confident77.9Confident2 Ų256.5 Ų56.51%0.01130%0.299CS..Hα-helixtrans-60.4-28.4173.9-87.4-30.6000112.9G325 D326 S327 F374 E380 L381 L382 L388G325-D378 VanDerWaalsContact C-OD2 3.3Å; G325-D378 WeakPolarHBondContact CA-OD2 3.38Å; D326-D378 PolarHBondContact N-OD2 3.27Å; S327-D378 WeakPolarHBondContact CB-OD1 3.4Å; S327-D378 PolarHBondContact N-OD1 3.44Å; S327-D378 PolarHBondContact OG-OD1 3.42Å; F374-D378 PolarHBondContact O-N 3.28Å; D378-E380 PolarHBondContact O-N 2.92Å; D378-L381 PolarHBondContact O-N 3.34Å; D378-L382 HydrophobicContact CB-CD1 4.3Å; D378-L382 VanDerWaalsContact O-CB 3.32Å; D378-L382 WeakPolarHBondContact O-CB 3.46Å; D378-L382 WeakPolarHBondContact O-CG 3.49Å; D378-L382 PolarHBondContact O-N 3.34Å; D378-L388 HydrophobicContact CB-CD2 4.07Å
379R90.6Very high79.3Confident122 Ų12254 Ų5446%0.4629%0.288SS..Hα-helixtrans-64.7-29.3175.5-170.753.8176.6173.62.4113G375 S376 V377 A384 H386 L388G375-R379 PolarHBondContact O-N 3.06Å; S376-R379 WeakPolarHBondContact O-CB 3.47Å; S376-R379 PolarHBondContact O-N 3.49Å; V377-R379 PolarHBondContact O-N 3.2Å; R379-A384 PolarHBondContact NH1-O 3.01Å; R379-H386 PolarHBondContact NH1-O 3.09Å; R379-L388 HydrophobicContact CB-CD1 3.7Å; R379-L388 HydrophobicContact CG-CD1 4.23Å
380E92.4Very high80.1Confident108 Ų10855.5 Ų55.551%0.50529%0.29SS..Hα-helixtrans-85.3-34177-63-176-176.400111.5T87 Y89 V377 D378T87-E380 VanDerWaalsContact CB-O 3.27Å; T87-E380 WeakPolarHBondContact CB-O 3.44Å; T87-E380 WeakPolarHBondContact CG2-O 3.11Å; T87-E380 PolarHBondContact OG1-O 3.28Å; Y89-E380 HydrophobicContact CD1-CB 3.74Å; Y89-E380 HydrophobicContact CD2-CB 4.35Å; Y89-E380 WeakPolarHBondContact CD2-OE2 3.34Å; Y89-E380 HydrophobicContact CE1-CB 4.24Å; Y89-E380 WeakPolarHBondContact CE2-OE2 3.38Å; Y89-E380 HydrophobicContact CG-CB 3.8Å; V377-E380 PolarHBondContact O-N 3.13Å; D378-E380 PolarHBondContact O-N 2.92Å
381L94.6Very high80.4Confident1 Ų155.2 Ų55.21%0.00529%0.287CS..Hα-helixtrans-73-38.6177.2-73.5172000113.3V61 T87 Y89 D90 L93 H320 L322 V377 D378V61-L381 HydrophobicContact CG1-CD1 4.1Å; V61-L381 HydrophobicContact CG1-CD2 4.18Å; V61-L381 HydrophobicContact CG2-CD1 4.26Å; T87-L381 WeakPolarHBondContact CG2-O 3.29Å; T87-L381 PolarHBondContact OG1-O 3.42Å; Y89-L381 HydrophobicContact CD1-CD2 3.74Å; Y89-L381 HydrophobicContact CD1-CG 4.08Å; Y89-L381 HydrophobicContact CE1-CD2 3.73Å; Y89-L381 HydrophobicContact CE1-CG 3.96Å; D90-L381 HydrophobicContact CB-CD2 4.38Å; L93-L381 HydrophobicContact CD1-CD2 3.9Å; H320-L381 HydrophobicContact CB-CD2 3.89Å; L322-L381 HydrophobicContact CB-CD1 4.1Å; V377-L381 HydrophobicContact CG1-CD1 4.26Å; V377-L381 PolarHBondContact O-N 3.42Å; V377-L381 VanDerWaalsContact O-N 3.15Å; D378-L381 PolarHBondContact O-N 3.34Å
382L95.4Very high80.2Confident3 Ų356.8 Ų56.82%0.01630%0.299CS..SBendtrans-96.1142.8-173.3-60.5173.1000111.3T87 I315 P318 D326 I330 D378 L388T87-L382 VanDerWaalsContact CG2-C 3.47Å; T87-L382 WeakPolarHBondContact CG2-O 3.29Å; I315-L382 HydrophobicContact CD1-CD2 4.07Å; P318-L382 HydrophobicContact CG-CD2 3.92Å; D326-L382 HydrophobicContact CB-CD1 3.62Å; I330-L382 HydrophobicContact CD1-CD1 3.83Å; I330-L382 HydrophobicContact CD1-CD2 3.73Å; I330-L382 HydrophobicContact CD1-CG 4.46Å; D378-L382 HydrophobicContact CB-CD1 4.3Å; D378-L382 VanDerWaalsContact O-CB 3.32Å; D378-L382 WeakPolarHBondContact O-CB 3.46Å; D378-L382 WeakPolarHBondContact O-CG 3.49Å; D378-L382 PolarHBondContact O-N 3.34Å; L382-L388 HydrophobicContact CB-CD2 4.37Å; L382-L388 HydrophobicContact CD1-CD2 3.62Å
383P95Very high80Confident6 Ų657.9 Ų57.94%0.03930%0.302CS..  trans-57144179.6-24.633.5000112.9A85 I315 W385 H386A85-P383 WeakPolarHBondContact O-CG 3.43Å; I315-P383 HydrophobicContact CD1-CG 4.27Å; P383-W385 HydrophobicContact CB-CD2 3.9Å; P383-W385 HydrophobicContact CB-CG 4.11Å; P383-W385 HydrophobicContact CB-CZ2 3.73Å; P383-W385 HydrophobicContact CG-CH2 4.48Å; P383-W385 HydrophobicContact CG-CZ2 3.73Å; P383-W385 PolarHBondContact O-N 2.94Å; P383-H386 WeakPolarHBondContact O-CB 3.18Å; P383-H386 PolarHBondContact O-N 3.49Å
384A92Very high79.6Confident77 Ų7758.2 Ų58.264%0.63630%0.302SS*.THydrogen-bonded Turntrans-60.7-25.2-175.400000114.1R379 H386R379-A384 PolarHBondContact NH1-O 3.01Å; A384-H386 VanDerWaalsContact C-N 3.28Å
385W93.5Very high79.1Confident93 Ų9365.3 Ų65.335%0.35234%0.335SS..THydrogen-bonded Turntrans-78.5-9.417754.4-102.7000113.4F77 R83 E84 I315 P383F77-W385 HydrophobicContact CE1-CH2 4.5Å; F77-W385 HydrophobicContact CE1-CZ2 4.29Å; F77-W385 HydrophobicContact CZ-CH2 4.27Å; F77-W385 HydrophobicContact CZ-CZ2 4.49Å; R83-W385 HydrophobicContact CB-CZ2 4.44Å; E84-W385 WeakPolarHBondContact O-CZ2 3.34Å; E84-W385 PolarHBondContact O-NE1 3.26Å; I315-W385 HydrophobicContact CB-CH2 3.8Å; I315-W385 HydrophobicContact CB-CZ3 4.06Å; I315-W385 HydrophobicContact CG2-CE3 4.33Å; I315-W385 HydrophobicContact CG2-CH2 3.55Å; I315-W385 HydrophobicContact CG2-CZ3 3.27Å; P383-W385 HydrophobicContact CB-CD2 3.9Å; P383-W385 HydrophobicContact CB-CG 4.11Å; P383-W385 HydrophobicContact CB-CZ2 3.73Å; P383-W385 HydrophobicContact CG-CH2 4.48Å; P383-W385 HydrophobicContact CG-CZ2 3.73Å; P383-W385 PolarHBondContact O-N 2.94Å
386H93.1Very high78.8Confident13 Ų1368 Ų686%0.0634%0.342CS..SBendtrans-88.9129.4168.3-174.162.6000110.3Y307 I315 I330 R379 P383 A384Y307-H386 AromaticContact CZ-NE2 4Å; Y307-H386 PolarHBondContact OH-NE2 2.98Å; I315-H386 HydrophobicContact CD1-CB 4.05Å; I315-H386 HydrophobicContact CG2-CB 4.24Å; I315-H386 WeakPolarHBondContact CG2-ND1 3.27Å; I330-H386 WeakPolarHBondContact CD1-NE2 3.42Å; R379-H386 PolarHBondContact NH1-O 3.09Å; P383-H386 WeakPolarHBondContact O-CB 3.18Å; P383-H386 PolarHBondContact O-N 3.49Å; A384-H386 VanDerWaalsContact C-N 3.28Å
387E90.1Very high78.5Confident154 Ų15468.4 Ų68.472%0.7234%0.343SS*.PPolyproline II helixtrans-76.9127.9174.9-172.7177.9-179.800109.3K312K312-E387 WeakPolarHBondContact CE-O 3.46Å; K312-E387 PolarHBondContact NZ-O 2.94Å
388L88.2Confident78.1Confident35 Ų3574.7 Ų74.718%0.18337%0.369CS..PPolyproline II helixtrans-72.3145175-68.2179.8000111D326 G375 D378 R379 L382 T390D326-L388 HydrophobicContact CB-CD2 4.44Å; G375-L388 WeakPolarHBondContact O-CD1 3.45Å; D378-L388 HydrophobicContact CB-CD2 4.07Å; R379-L388 HydrophobicContact CB-CD1 3.7Å; R379-L388 HydrophobicContact CG-CD1 4.23Å; L382-L388 HydrophobicContact CB-CD2 4.37Å; L382-L388 HydrophobicContact CD1-CD2 3.62Å; L388-T390 PolarHBondContact O-N 3.26Å; L388-T390 VanDerWaalsContact O-N 3.11Å
389S83.1Confident77.3Confident13 Ų1377.8 Ų77.89%0.09139%0.394CS..  trans-71.7109.8173.7-60.90000108.8H303 K312 D326 Y391H303-S389 PolarHBondContact CE1-O 2.8Å; H303-S389 WeakPolarHBondContact ND1-CB 3.42Å; K312-S389 PolarHBondContact NZ-OG 3.04Å; D326-S389 WeakPolarHBondContact OD1-CB 3.34Å; D326-S389 PolarHBondContact OD1-OG 3.3Å; D326-S389 WeakPolarHBondContact OD2-CA 3.42Å; D326-S389 WeakPolarHBondContact OD2-CB 3.41Å; D326-S389 PolarHBondContact OD2-N 3.48Å; D326-S389 PolarHBondContact OD2-OG 2.93Å; S389-Y391 PolarHBondContact O-N 3.04Å
390T70.5Confident76.6Confident102 Ų10276.3 Ų76.363%0.62640%0.395SS*.  trans-70135.3162.958.90000108.7L388L388-T390 PolarHBondContact O-N 3.26Å; L388-T390 VanDerWaalsContact O-N 3.11Å
391Y62.5Low75.9Confident24 Ų2476 Ų769%0.09440%0.396CS..  trans-48.5130.7167.5-163-86000108.9P302 F364 Q368 F371 S389 K393P302-Y391 HydrophobicContact CB-CE2 4.4Å; P302-Y391 HydrophobicContact CG-CD2 4.35Å; P302-Y391 HydrophobicContact CG-CE2 4.02Å; F364-Y391 VanDerWaalsContact CB-OH 3.31Å; F364-Y391 WeakPolarHBondContact CB-OH 3.48Å; F364-Y391 WeakPolarHBondContact CD1-OH 3.36Å; F364-Y391 VanDerWaalsContact CG-OH 3.25Å; F364-Y391 WeakPolarHBondContact CG-OH 3.19Å; Q368-Y391 HydrophobicContact CG-CD1 4.35Å; F371-Y391 HydrophobicContact CB-CD2 3.96Å; F371-Y391 AromaticContact CD2-CD2 3.62Å; F371-Y391 HydrophobicContact CD2-CD2 3.62Å; F371-Y391 AromaticContact CD2-CE2 3.48Å; F371-Y391 HydrophobicContact CD2-CE2 3.48Å; F371-Y391 VanDerWaalsContact CD2-CE2 3.48Å; F371-Y391 HydrophobicContact CE2-CD2 4.38Å; F371-Y391 AromaticContact CE2-CE2 3.85Å; F371-Y391 HydrophobicContact CE2-CE2 3.85Å; F371-Y391 AromaticContact CG-CD2 3.85Å; F371-Y391 HydrophobicContact CG-CD2 3.85Å; F371-Y391 HydrophobicContact CG-CE2 4.16Å; S389-Y391 PolarHBondContact O-N 3.04Å; Y391-K393 PolarHBondContact O-N 3.36Å
392P54Low75.1Confident45 Ų4581.1 Ų81.129%0.29242%0.418SS..  trans-58.3110.5-179.221.6-29.5000108.7M358M358-P392 HydrophobicContact CG-CG 4.42Å; M358-P392 HydrophobicContact SD-CG 3.4Å; M358-P392 WeakPolarHBondContact SD-CG 3.48Å
393K52.1Low74.4Confident155 Ų15583.2 Ų83.267%0.67444%0.436SS*.  trans-67.8136.3165.9-65.4178.1-177.9174.80105.5Y391 E395Y391-K393 PolarHBondContact O-N 3.36Å; K393-E395 VanDerWaalsContact C-N 3.31Å; K393-E395 PolarHBondContact O-N 3.43Å
394K50Low73.6Confident119 Ų11985.3 Ų85.352%0.51745%0.454SS..  trans-57.1105.3162.6-108.1-175.2179.2176.90105.9L359 T361 L396L359-K394 WeakPolarHBondContact O-CE 3.17Å; L359-K394 PolarHBondContact O-NZ 2.93Å; T361-K394 PolarHBondContact OG1-NZ 3.31Å; K394-L396 VanDerWaalsContact C-N 3.3Å; K394-L396 PolarHBondContact O-N 2.87Å
395E52.9Low73.1Confident179 Ų17983.7 Ų83.784%0.83645%0.445SS*.  trans-65.4104.4161.3-65.3-147.6166.500104.8K393 P397K393-E395 VanDerWaalsContact C-N 3.31Å; K393-E395 PolarHBondContact O-N 3.43Å; E395-P397 WeakPolarHBondContact O-CD 3.28Å; E395-P397 VanDerWaalsContact O-N 3.11Å
396L57.8Low72.7Confident87 Ų8783.8 Ų83.846%0.45545%0.451SS..  trans-53.6123.7166.7-125.281.7000105.2K394 F398 I400 L401K394-L396 VanDerWaalsContact C-N 3.3Å; K394-L396 PolarHBondContact O-N 2.87Å; L396-F398 PolarHBondContact O-N 3.47Å; L396-I400 HydrophobicContact CD2-CB 3.97Å; L396-I400 HydrophobicContact CD2-CG2 3.55Å; L396-I400 HydrophobicContact CG-CB 4.32Å; L396-I400 HydrophobicContact CG-CG2 4.27Å; L396-L401 HydrophobicContact CB-CD1 4.28Å; L396-L401 HydrophobicContact CB-CD2 4.31Å; L396-L401 HydrophobicContact CB-CG 4.02Å; L396-L401 HydrophobicContact CD2-CD2 3.84Å; L396-L401 HydrophobicContact CD2-CG 4.15Å
397P68.1Low72.2Confident74 Ų7487.1 Ų87.148%0.48148%0.476SS..  trans-48.3133.7178.3-25.130.1000108.3E395 A399 I400 L401E395-P397 WeakPolarHBondContact O-CD 3.28Å; E395-P397 VanDerWaalsContact O-N 3.11Å; P397-A399 PolarHBondContact O-N 3.35Å; P397-I400 HydrophobicContact CB-CG1 4.34Å; P397-I400 HydrophobicContact CG-CD1 4.14Å; P397-I400 HydrophobicContact CG-CG1 4.3Å; P397-I400 PolarHBondContact O-N 3.46Å; P397-L401 PolarHBondContact O-N 2.9Å
398F75.4Confident71.9Confident157 Ų15782.9 Ų82.969%0.68946%0.463SS*.Hα-helixtrans-47-35.1179.2174-96.6000111.2L396 I400 L401 F402L396-F398 PolarHBondContact O-N 3.47Å; F398-I400 VanDerWaalsContact C-N 3.35Å; F398-I400 PolarHBondContact O-N 3.13Å; F398-L401 PolarHBondContact O-N 3.45Å; F398-F402 HydrophobicContact CD1-CB 4.2Å; F398-F402 HydrophobicContact CE1-CB 3.9Å; F398-F402 AromaticContact CE1-CD2 3.89Å; F398-F402 HydrophobicContact CE1-CD2 3.89Å; F398-F402 HydrophobicContact CE1-CG 4.01Å; F398-F402 HydrophobicContact CZ-CB 4.25Å; F398-F402 AromaticContact CZ-CD2 3.87Å; F398-F402 HydrophobicContact CZ-CD2 3.87Å; F398-F402 HydrophobicContact CZ-CG 4.36Å; F398-F402 WeakPolarHBondContact O-CB 3.45Å; F398-F402 PolarHBondContact O-N 2.94Å
399A72.3Confident71.7Confident66 Ų6683 Ų8355%0.54547%0.472SS..Hα-helixtrans-54.9-39.6174.200000114.8P397 A403P397-A399 PolarHBondContact O-N 3.35Å; A399-A403 WeakPolarHBondContact O-CB 3.47Å; A399-A403 PolarHBondContact O-N 3.16Å
400I75.5Confident71.8Confident92 Ų9287.2 Ų87.247%0.47249%0.493SS..Hα-helixtrans-71.8-44.6177.6-56.9-173.6000110.2L396 P397 F398 F402 A403 A404L396-I400 HydrophobicContact CD2-CB 3.97Å; L396-I400 HydrophobicContact CD2-CG2 3.55Å; L396-I400 HydrophobicContact CG-CB 4.32Å; L396-I400 HydrophobicContact CG-CG2 4.27Å; P397-I400 HydrophobicContact CB-CG1 4.34Å; P397-I400 HydrophobicContact CG-CD1 4.14Å; P397-I400 HydrophobicContact CG-CG1 4.3Å; P397-I400 PolarHBondContact O-N 3.46Å; F398-I400 VanDerWaalsContact C-N 3.35Å; F398-I400 PolarHBondContact O-N 3.13Å; I400-F402 VanDerWaalsContact C-N 3.29Å; I400-F402 PolarHBondContact O-N 3.33Å; I400-A403 PolarHBondContact O-N 3.12Å; I400-A404 VanDerWaalsContact O-CB 3.23Å; I400-A404 WeakPolarHBondContact O-CB 3.37Å; I400-A404 PolarHBondContact O-N 2.88Å
401L77.1Confident72.5Confident100 Ų10087.4 Ų87.452%0.52449%0.49SS..Hα-helixtrans-62.5-40.7176-67.8172000111.1L396 P397 F398 G405L396-L401 HydrophobicContact CB-CD1 4.28Å; L396-L401 HydrophobicContact CB-CD2 4.31Å; L396-L401 HydrophobicContact CB-CG 4.02Å; L396-L401 HydrophobicContact CD2-CD2 3.84Å; L396-L401 HydrophobicContact CD2-CG 4.15Å; P397-L401 PolarHBondContact O-N 2.9Å; F398-L401 PolarHBondContact O-N 3.45Å; L401-G405 PolarHBondContact O-N 2.9Å
402F79.3Confident73.5Confident110 Ų11091.2 Ų91.248%0.48251%0.511SS..Hα-helixtrans-65.7-46.3176.6-174.9-103.6000111.5F398 I400 G405 L406F398-F402 HydrophobicContact CD1-CB 4.2Å; F398-F402 HydrophobicContact CE1-CB 3.9Å; F398-F402 AromaticContact CE1-CD2 3.89Å; F398-F402 HydrophobicContact CE1-CD2 3.89Å; F398-F402 HydrophobicContact CE1-CG 4.01Å; F398-F402 HydrophobicContact CZ-CB 4.25Å; F398-F402 AromaticContact CZ-CD2 3.87Å; F398-F402 HydrophobicContact CZ-CD2 3.87Å; F398-F402 HydrophobicContact CZ-CG 4.36Å; F398-F402 WeakPolarHBondContact O-CB 3.45Å; F398-F402 PolarHBondContact O-N 2.94Å; I400-F402 VanDerWaalsContact C-N 3.29Å; I400-F402 PolarHBondContact O-N 3.33Å; F402-G405 PolarHBondContact O-N 3.37Å; F402-L406 HydrophobicContact CD1-CD1 3.89Å; F402-L406 HydrophobicContact CD1-CG 4.43Å; F402-L406 HydrophobicContact CE1-CD1 3.47Å; F402-L406 VanDerWaalsContact CE1-CD1 3.47Å; F402-L406 HydrophobicContact CE1-CG 4.16Å; F402-L406 HydrophobicContact CZ-CD1 4.03Å; F402-L406 HydrophobicContact CZ-CG 4.35Å; F402-L406 WeakPolarHBondContact O-CG 3.41Å; F402-L406 PolarHBondContact O-N 2.68Å
403A79.8Confident74.8Confident46 Ų4693.4 Ų93.438%0.3852%0.519SS..Hα-helixtrans-64.1-43.8175.800000111.8A399 I400 G405 L406 C407A399-A403 WeakPolarHBondContact O-CB 3.47Å; A399-A403 PolarHBondContact O-N 3.16Å; I400-A403 PolarHBondContact O-N 3.12Å; A403-G405 VanDerWaalsContact C-N 3.31Å; A403-G405 PolarHBondContact O-N 2.61Å; A403-L406 PolarHBondContact O-N 3.2Å; A403-C407 WeakPolarHBondContact O-CB 3.45Å; A403-C407 PolarHBondContact O-N 3.24Å; A403-C407 PolarHBondContact O-SG 3Å
404A79.1Confident76.2Confident51 Ų5191.4 Ų91.442%0.42152%0.516SS..Hα-helixtrans-60.8-41.9174.300000111.1I400 C407 S408I400-A404 VanDerWaalsContact O-CB 3.23Å; I400-A404 WeakPolarHBondContact O-CB 3.37Å; I400-A404 PolarHBondContact O-N 2.88Å; A404-C407 PolarHBondContact O-N 3.19Å; A404-S408 VanDerWaalsContact O-CB 3.31Å; A404-S408 WeakPolarHBondContact O-CB 3.48Å; A404-S408 PolarHBondContact O-N 3.16Å; A404-S408 PolarHBondContact O-OG 3.47Å
405G81.3Confident77.8Confident43 Ų4390 Ų9044%0.44351%0.513SS..Hα-helixtrans-61-45.1173.800000112.9L401 F402 A403 S408 G409L401-G405 PolarHBondContact O-N 2.9Å; F402-G405 PolarHBondContact O-N 3.37Å; A403-G405 VanDerWaalsContact C-N 3.31Å; A403-G405 PolarHBondContact O-N 2.61Å; G405-S408 PolarHBondContact O-N 3.28Å; G405-G409 PolarHBondContact O-N 3.36Å
406L84.1Confident79Confident94 Ų9484.7 Ų84.749%0.49249%0.493SS..Hα-helixtrans-62.7-47174.7-74.7177.3000112F402 A403 S408 G409 L410F402-L406 HydrophobicContact CD1-CD1 3.89Å; F402-L406 HydrophobicContact CD1-CG 4.43Å; F402-L406 HydrophobicContact CE1-CD1 3.47Å; F402-L406 VanDerWaalsContact CE1-CD1 3.47Å; F402-L406 HydrophobicContact CE1-CG 4.16Å; F402-L406 HydrophobicContact CZ-CD1 4.03Å; F402-L406 HydrophobicContact CZ-CG 4.35Å; F402-L406 WeakPolarHBondContact O-CG 3.41Å; F402-L406 PolarHBondContact O-N 2.68Å; A403-L406 PolarHBondContact O-N 3.2Å; L406-S408 VanDerWaalsContact C-N 3.33Å; L406-S408 PolarHBondContact O-N 2.98Å; L406-G409 PolarHBondContact O-N 3.06Å; L406-L410 WeakPolarHBondContact O-CB 3.5Å; L406-L410 VanDerWaalsContact O-CG 3.32Å; L406-L410 WeakPolarHBondContact O-CG 3.47Å; L406-L410 PolarHBondContact O-N 3.36Å
407C83.3Confident79.8Confident84 Ų8483 Ų8357%0.56848%0.483SS*.Hα-helixtrans-60.2-42.9176.6-72.30000111.8A403 A404 L410 L411A403-C407 WeakPolarHBondContact O-CB 3.45Å; A403-C407 PolarHBondContact O-N 3.24Å; A403-C407 PolarHBondContact O-SG 3Å; A404-C407 PolarHBondContact O-N 3.19Å; C407-L410 PolarHBondContact O-N 2.96Å; C407-L411 WeakPolarHBondContact O-CB 3.41Å; C407-L411 PolarHBondContact O-N 3.29Å
408S84.6Confident80.3Confident64 Ų6487 Ų8745%0.44850%0.496SS..Hα-helixtrans-65.6-42.5177.3-52.80000111.3A404 G405 L406 L411 I412A404-S408 VanDerWaalsContact O-CB 3.31Å; A404-S408 WeakPolarHBondContact O-CB 3.48Å; A404-S408 PolarHBondContact O-N 3.16Å; A404-S408 PolarHBondContact O-OG 3.47Å; G405-S408 PolarHBondContact O-N 3.28Å; L406-S408 VanDerWaalsContact C-N 3.33Å; L406-S408 PolarHBondContact O-N 2.98Å; S408-L411 WeakPolarHBondContact O-CB 3.45Å; S408-L411 PolarHBondContact O-N 3.42Å; S408-I412 VanDerWaalsContact O-CG1 3.3Å; S408-I412 WeakPolarHBondContact O-CG1 3.44Å; S408-I412 PolarHBondContact O-N 2.98Å
409G83.7Confident80.6Confident37 Ų3785.7 Ų85.738%0.38149%0.491SS..Hα-helixtrans-63.9-42.5176.100000112.6G405 L406 I412 L413G405-G409 PolarHBondContact O-N 3.36Å; L406-G409 PolarHBondContact O-N 3.06Å; G409-I412 PolarHBondContact O-N 3.41Å; G409-L413 WeakPolarHBondContact O-CB 3.36Å; G409-L413 PolarHBondContact O-N 3.38Å
410L85.4Confident81.2Confident103 Ų10389.3 Ų89.354%0.53949%0.492SS..Hα-helixtrans-63.1-41.7173.8-75.6169.2000111.6L406 C407 L413 L414L406-L410 WeakPolarHBondContact O-CB 3.5Å; L406-L410 VanDerWaalsContact O-CG 3.32Å; L406-L410 WeakPolarHBondContact O-CG 3.47Å; L406-L410 PolarHBondContact O-N 3.36Å; C407-L410 PolarHBondContact O-N 2.96Å; L410-L413 PolarHBondContact O-N 3.06Å; L410-L414 WeakPolarHBondContact O-CB 3.39Å; L410-L414 VanDerWaalsContact O-CG 3.28Å; L410-L414 WeakPolarHBondContact O-CG 3.44Å; L410-L414 PolarHBondContact O-N 3.13Å
411L84.1Confident81.6Confident106 Ų10688.8 Ų88.856%0.55550%0.495SS*.Hα-helixtrans-61.7-46.9176-169.285.6000111.3C407 S408 L413 L414 I415C407-L411 WeakPolarHBondContact O-CB 3.41Å; C407-L411 PolarHBondContact O-N 3.29Å; S408-L411 WeakPolarHBondContact O-CB 3.45Å; S408-L411 PolarHBondContact O-N 3.42Å; L411-L413 VanDerWaalsContact C-N 3.33Å; L411-L413 PolarHBondContact O-N 3.44Å; L411-L414 PolarHBondContact O-N 3.2Å; L411-I415 HydrophobicContact CD2-CD1 4.46Å; L411-I415 HydrophobicContact CG-CD1 4.24Å; L411-I415 VanDerWaalsContact O-CG1 3.3Å; L411-I415 WeakPolarHBondContact O-CG1 3.32Å; L411-I415 PolarHBondContact O-N 3.33Å
412I83.7Confident81.8Confident103 Ų10392.3 Ų92.353%0.52851%0.506SS..Hα-helixtrans-61.2-44.6176.5-68.3163.4000110.2S408 G409 L414 I415 V416S408-I412 VanDerWaalsContact O-CG1 3.3Å; S408-I412 WeakPolarHBondContact O-CG1 3.44Å; S408-I412 PolarHBondContact O-N 2.98Å; G409-I412 PolarHBondContact O-N 3.41Å; I412-L414 VanDerWaalsContact C-N 3.34Å; I412-L414 PolarHBondContact O-N 2.88Å; I412-I415 PolarHBondContact O-N 3.37Å; I412-V416 HydrophobicContact CG2-CG2 4.35Å; I412-V416 WeakPolarHBondContact O-CG2 3.39Å; I412-V416 PolarHBondContact O-N 2.89Å
413L80.9Confident81.7Confident91 Ų9190 Ų9048%0.47651%0.507SS..Hα-helixtrans-58.7-46.9176.4-17866.1000110.7G409 L410 L411 I415 V416 L417G409-L413 WeakPolarHBondContact O-CB 3.36Å; G409-L413 PolarHBondContact O-N 3.38Å; L410-L413 PolarHBondContact O-N 3.06Å; L411-L413 VanDerWaalsContact C-N 3.33Å; L411-L413 PolarHBondContact O-N 3.44Å; L413-I415 VanDerWaalsContact C-N 3.31Å; L413-I415 PolarHBondContact O-N 2.9Å; L413-V416 PolarHBondContact O-N 3.42Å; L413-L417 HydrophobicContact CD1-CD1 4.41Å; L413-L417 HydrophobicContact CD1-CG 4.22Å; L413-L417 HydrophobicContact CG-CD1 4Å; L413-L417 HydrophobicContact CG-CG 4.21Å; L413-L417 WeakPolarHBondContact O-CB 3.39Å; L413-L417 WeakPolarHBondContact O-CG 3.46Å; L413-L417 PolarHBondContact O-N 2.97Å
414L82.6Confident81.2Confident114 Ų11491.3 Ų91.360%0.59751%0.507SS*.Hα-helixtrans-59.6-40.7177-73.8169.9000112.3L410 L411 I412 L417 H418L410-L414 WeakPolarHBondContact O-CB 3.39Å; L410-L414 VanDerWaalsContact O-CG 3.28Å; L410-L414 WeakPolarHBondContact O-CG 3.44Å; L410-L414 PolarHBondContact O-N 3.13Å; L411-L414 PolarHBondContact O-N 3.2Å; I412-L414 VanDerWaalsContact C-N 3.34Å; I412-L414 PolarHBondContact O-N 2.88Å; L414-L417 PolarHBondContact O-N 3.48Å; L414-H418 VanDerWaalsContact O-CB 3.31Å; L414-H418 WeakPolarHBondContact O-CB 3.48Å; L414-H418 PolarHBondContact O-N 3.39Å
415I82.1Confident81.1Confident90 Ų9091.8 Ų91.846%0.46251%0.507SS..Hα-helixtrans-64.6-43.7175.8-67.2164.6000110.9L411 I412 L413 H418 Q419L411-I415 HydrophobicContact CD2-CD1 4.46Å; L411-I415 HydrophobicContact CG-CD1 4.24Å; L411-I415 VanDerWaalsContact O-CG1 3.3Å; L411-I415 WeakPolarHBondContact O-CG1 3.32Å; L411-I415 PolarHBondContact O-N 3.33Å; I412-I415 PolarHBondContact O-N 3.37Å; L413-I415 VanDerWaalsContact C-N 3.31Å; L413-I415 PolarHBondContact O-N 2.9Å; I415-H418 WeakPolarHBondContact O-CB 3.47Å; I415-H418 PolarHBondContact O-N 3.31Å; I415-Q419 PolarHBondContact O-N 3.5Å
416V79.6Confident81.1Confident67 Ų6795 Ų9541%0.40652%0.515SS..Hα-helixtrans-65.1-44.3177.2171.50000111I412 L413 H418 Q419 Y420I412-V416 HydrophobicContact CG2-CG2 4.35Å; I412-V416 WeakPolarHBondContact O-CG2 3.39Å; I412-V416 PolarHBondContact O-N 2.89Å; L413-V416 PolarHBondContact O-N 3.42Å; V416-H418 VanDerWaalsContact C-N 3.27Å; V416-H418 PolarHBondContact O-N 3.26Å; V416-Q419 PolarHBondContact O-N 3.21Å; V416-Y420 HydrophobicContact CG1-CD2 4.1Å; V416-Y420 WeakPolarHBondContact O-CD2 3.47Å; V416-Y420 PolarHBondContact O-N 3.31Å
417L74.8Confident80.7Confident50 Ų5097 Ų9726%0.26252%0.52SS..Hα-helixtrans-62.4-36.2176.5-69.5-179.9000111.8L413 L414 Y420 L424L413-L417 HydrophobicContact CD1-CD1 4.41Å; L413-L417 HydrophobicContact CD1-CG 4.22Å; L413-L417 HydrophobicContact CG-CD1 4Å; L413-L417 HydrophobicContact CG-CG 4.21Å; L413-L417 WeakPolarHBondContact O-CB 3.39Å; L413-L417 WeakPolarHBondContact O-CG 3.46Å; L413-L417 PolarHBondContact O-N 2.97Å; L414-L417 PolarHBondContact O-N 3.48Å; L417-Y420 CarbonylContact O-C 3.18Å; L417-L424 HydrophobicContact CD1-CD1 4.15Å; L417-L424 HydrophobicContact CD2-CB 3.94Å; L417-L424 HydrophobicContact CD2-CD1 3.68Å; L417-L424 HydrophobicContact CD2-CG 4.21Å; L417-L424 HydrophobicContact CG-CD1 4.45Å
418H78.4Confident80.3Confident159 Ų15994.9 Ų94.974%0.73651%0.508SS*.Hα-helixtrans-66.8-42.4173.9-176.774.3000112.3L414 I415 V416L414-H418 VanDerWaalsContact O-CB 3.31Å; L414-H418 WeakPolarHBondContact O-CB 3.48Å; L414-H418 PolarHBondContact O-N 3.39Å; I415-H418 WeakPolarHBondContact O-CB 3.47Å; I415-H418 PolarHBondContact O-N 3.31Å; V416-H418 VanDerWaalsContact C-N 3.27Å; V416-H418 PolarHBondContact O-N 3.26Å
419Q81.9Confident80.1Confident129 Ų12996 Ų9660%0.60351%0.509SS*.Hα-helixtrans-73.1-32177.9-74.1-165.618.400113.6I415 V416 P421I415-Q419 PolarHBondContact O-N 3.5Å; V416-Q419 PolarHBondContact O-N 3.21Å; Q419-P421 VanDerWaalsContact O-CD 3.31Å; Q419-P421 WeakPolarHBondContact O-CD 3.5Å
420Y84.5Confident79.9Confident142 Ų14296.3 Ų96.356%0.55751%0.508SS*.  trans-12262.8-175.5-59.3-81.9000112.7V416 L417 K422 A423 L424V416-Y420 HydrophobicContact CG1-CD2 4.1Å; V416-Y420 WeakPolarHBondContact O-CD2 3.47Å; V416-Y420 PolarHBondContact O-N 3.31Å; L417-Y420 CarbonylContact O-C 3.18Å; Y420-K422 PolarHBondContact O-N 3.14Å; Y420-K422 VanDerWaalsContact O-N 3.12Å; Y420-A423 WeakPolarHBondContact O-CB 3.48Å; Y420-A423 PolarHBondContact O-N 3.41Å; Y420-L424 PolarHBondContact O-N 2.95Å
421P82.6Confident79.4Confident81 Ų8195.2 Ų95.253%0.52650%0.502SS..Hα-helixtrans-62.3-26.5-17525.2-34.9000113.4Q419 L424 S425Q419-P421 VanDerWaalsContact O-CD 3.31Å; Q419-P421 WeakPolarHBondContact O-CD 3.5Å; P421-L424 WeakPolarHBondContact O-CB 3.28Å; P421-L424 PolarHBondContact O-N 3.22Å; P421-S425 PolarHBondContact O-N 3.33Å; P421-S425 VanDerWaalsContact O-N 3.1Å
422K82.2Confident79.1Confident175 Ų17595.8 Ų95.876%0.76151%0.505SS*.Hα-helixtrans-67-37.1175.8-66.8-177.2-179.2177.80112.3Y420 L424 S425 N426Y420-K422 PolarHBondContact O-N 3.14Å; Y420-K422 VanDerWaalsContact O-N 3.12Å; K422-L424 VanDerWaalsContact C-N 3.32Å; K422-S425 PolarHBondContact O-N 2.96Å; K422-N426 PolarHBondContact O-N 3.26Å; K422-N426 VanDerWaalsContact O-N 3.16Å
423A76.2Confident78.9Confident60 Ų6097.2 Ų97.250%0.49651%0.509SS..Hα-helixtrans-66.1-38.2175.600000111Y420 N426 F427Y420-A423 WeakPolarHBondContact O-CB 3.48Å; Y420-A423 PolarHBondContact O-N 3.41Å; A423-N426 PolarHBondContact O-N 3.45Å; A423-F427 WeakPolarHBondContact O-CB 3.48Å; A423-F427 PolarHBondContact O-N 3.39Å
424L70.4Confident78.7Confident74 Ų7497.3 Ų97.339%0.38751%0.51SS..Hα-helixtrans-60.3-48.3174.3-179.658.7000112.1L417 Y420 P421 K422 N426 F427 A428L417-L424 HydrophobicContact CD1-CD1 4.15Å; L417-L424 HydrophobicContact CD2-CB 3.94Å; L417-L424 HydrophobicContact CD2-CD1 3.68Å; L417-L424 HydrophobicContact CD2-CG 4.21Å; L417-L424 HydrophobicContact CG-CD1 4.45Å; Y420-L424 PolarHBondContact O-N 2.95Å; P421-L424 WeakPolarHBondContact O-CB 3.28Å; P421-L424 PolarHBondContact O-N 3.22Å; K422-L424 VanDerWaalsContact C-N 3.32Å; L424-N426 VanDerWaalsContact C-N 3.32Å; L424-N426 PolarHBondContact O-N 3.08Å; L424-F427 PolarHBondContact O-N 3.06Å; L424-A428 WeakPolarHBondContact O-CB 3.35Å; L424-A428 PolarHBondContact O-N 3.3Å
425S76.6Confident78.3Confident61 Ų6196.6 Ų96.643%0.42751%0.506SS..Hα-helixtrans-57.7-45.6178.2-179.60000111.5P421 K422 F427 A428 N429P421-S425 PolarHBondContact O-N 3.33Å; P421-S425 VanDerWaalsContact O-N 3.1Å; K422-S425 PolarHBondContact O-N 2.96Å; S425-F427 PolarHBondContact O-N 3.28Å; S425-A428 PolarHBondContact O-N 3.22Å; S425-N429 WeakPolarHBondContact O-CB 3.3Å; S425-N429 PolarHBondContact O-N 3.14Å; S425-N429 PolarHBondContact O-ND2 3.06Å; S425-N429 VanDerWaalsContact O-ND2 3.13Å
426N80.7Confident77.9Confident112 Ų11294.9 Ų94.960%0.59951%0.505SS*.Hα-helixtrans-63-42.5177.4-68.1-9.7000112.1K422 A423 L424 N429 A430K422-N426 PolarHBondContact O-N 3.26Å; K422-N426 VanDerWaalsContact O-N 3.16Å; A423-N426 PolarHBondContact O-N 3.45Å; L424-N426 VanDerWaalsContact C-N 3.32Å; L424-N426 PolarHBondContact O-N 3.08Å; N426-N429 PolarHBondContact O-N 3.46Å; N426-A430 PolarHBondContact O-N 3.44Å
427F76Confident77.6Confident136 Ų13696.8 Ų96.860%0.59651%0.514SS*.Hα-helixtrans-66.7-43.4178.6-169.8-100.3000112.4A423 L424 S425 N429 A430 L431A423-F427 WeakPolarHBondContact O-CB 3.48Å; A423-F427 PolarHBondContact O-N 3.39Å; L424-F427 PolarHBondContact O-N 3.06Å; S425-F427 PolarHBondContact O-N 3.28Å; F427-N429 VanDerWaalsContact C-N 3.34Å; F427-N429 PolarHBondContact O-N 2.83Å; F427-A430 PolarHBondContact O-N 3.23Å; F427-L431 HydrophobicContact CD1-CD1 3.73Å; F427-L431 HydrophobicContact CE1-CD1 3.28Å; F427-L431 HydrophobicContact CE1-CG 4.29Å; F427-L431 HydrophobicContact CZ-CD1 3.99Å; F427-L431 PolarHBondContact O-N 2.67Å
428A74.5Confident77.6Confident39 Ų3999.2 Ų99.232%0.32253%0.527SS..Hα-helixtrans-61.9-41.9176.300000111.8L424 S425 L431 L432L424-A428 WeakPolarHBondContact O-CB 3.35Å; L424-A428 PolarHBondContact O-N 3.3Å; S425-A428 PolarHBondContact O-N 3.22Å; A428-L431 PolarHBondContact O-N 3.42Å; A428-L432 WeakPolarHBondContact O-CG 3.33Å; A428-L432 PolarHBondContact O-N 3.25Å
429N81Confident77.1Confident87 Ų8797.2 Ų97.247%0.46552%0.521SS..Hα-helixtrans-63.2-41.3175.5-71.1-26.3000111.9S425 N426 F427 L432 Q433S425-N429 WeakPolarHBondContact O-CB 3.3Å; S425-N429 PolarHBondContact O-N 3.14Å; S425-N429 PolarHBondContact O-ND2 3.06Å; S425-N429 VanDerWaalsContact O-ND2 3.13Å; N426-N429 PolarHBondContact O-N 3.46Å; F427-N429 VanDerWaalsContact C-N 3.34Å; F427-N429 PolarHBondContact O-N 2.83Å; N429-L432 PolarHBondContact O-N 3.11Å; N429-Q433 WeakPolarHBondContact O-CG 2.84Å; N429-Q433 PolarHBondContact O-N 2.91Å
430A79.2Confident76.5Confident44 Ų4496.5 Ų96.536%0.36452%0.521SS..Hα-helixtrans-64.2-43.1176.200000112.3N426 F427 Q433 I434N426-A430 PolarHBondContact O-N 3.44Å; F427-A430 PolarHBondContact O-N 3.23Å; A430-Q433 PolarHBondContact O-N 3.32Å; A430-I434 WeakPolarHBondContact O-CG1 3.44Å; A430-I434 PolarHBondContact O-N 3.02Å
431L75.3Confident75.6Confident80 Ų8096.6 Ų96.642%0.41953%0.526SS..Hα-helixtrans-62.3-43.2176.2-99162.2000112.6F427 A428 Q433 I434 N435F427-L431 HydrophobicContact CD1-CD1 3.73Å; F427-L431 HydrophobicContact CE1-CD1 3.28Å; F427-L431 HydrophobicContact CE1-CG 4.29Å; F427-L431 HydrophobicContact CZ-CD1 3.99Å; F427-L431 PolarHBondContact O-N 2.67Å; A428-L431 PolarHBondContact O-N 3.42Å; L431-Q433 VanDerWaalsContact C-N 3.31Å; L431-Q433 PolarHBondContact O-N 2.96Å; L431-I434 PolarHBondContact O-N 2.99Å; L431-N435 PolarHBondContact O-N 2.94Å
432L78.7Confident75Confident117 Ų117101.3 Ų101.361%0.61353%0.534SS*.Hα-helixtrans-63.1-38.4175.9-74.5170.6000111.7A428 N429 A436A428-L432 WeakPolarHBondContact O-CG 3.33Å; A428-L432 PolarHBondContact O-N 3.25Å; N429-L432 PolarHBondContact O-N 3.11Å; L432-A436 VanDerWaalsContact O-CB 3.24Å; L432-A436 WeakPolarHBondContact O-CB 3.32Å; L432-A436 PolarHBondContact O-N 2.94Å
433Q78.7Confident74.4Confident133 Ų13397.5 Ų97.562%0.62152%0.522SS*.Hα-helixtrans-65.7-40.8175.2-77.3-174.1-10.300112.7N429 A430 L431 A436 N437N429-Q433 WeakPolarHBondContact O-CG 2.84Å; N429-Q433 PolarHBondContact O-N 2.91Å; A430-Q433 PolarHBondContact O-N 3.32Å; L431-Q433 VanDerWaalsContact C-N 3.31Å; L431-Q433 PolarHBondContact O-N 2.96Å; Q433-A436 PolarHBondContact O-N 3.49Å; Q433-N437 WeakPolarHBondContact O-CB 3.37Å; Q433-N437 PolarHBondContact O-N 2.94Å
434I77.2Confident74.2Confident94 Ų9498.6 Ų98.648%0.48252%0.522SS..Hα-helixtrans-64.5-46.1176.7-66.9167.1000110.6A430 L431 N437 N438A430-I434 WeakPolarHBondContact O-CG1 3.44Å; A430-I434 PolarHBondContact O-N 3.02Å; L431-I434 PolarHBondContact O-N 2.99Å; I434-N437 PolarHBondContact O-N 3.15Å; I434-N438 WeakPolarHBondContact O-CB 3.39Å; I434-N438 PolarHBondContact O-N 3.33Å
435N73.5Confident74.1Confident98 Ų98104.5 Ų104.552%0.52454%0.539SS..Hα-helixtrans-65.1-40177.9-82.8-16.2000112.1L431 N438 L439L431-N435 PolarHBondContact O-N 2.94Å; N435-N438 PolarHBondContact O-N 3.44Å; N435-L439 VanDerWaalsContact O-CB 3.29Å; N435-L439 WeakPolarHBondContact O-CB 3.25Å; N435-L439 PolarHBondContact O-N 3.01Å
436A73.5Confident73.5Confident54 Ų54103.9 Ų103.945%0.44654%0.535SS..Hα-helixtrans-61.3-45.3174.200000111.3L432 Q433 L439 L440L432-A436 VanDerWaalsContact O-CB 3.24Å; L432-A436 WeakPolarHBondContact O-CB 3.32Å; L432-A436 PolarHBondContact O-N 2.94Å; Q433-A436 PolarHBondContact O-N 3.49Å; A436-L439 PolarHBondContact O-N 3.46Å; A436-L440 VanDerWaalsContact O-CB 3.26Å; A436-L440 WeakPolarHBondContact O-CB 3.49Å; A436-L440 PolarHBondContact O-N 2.86Å
437N74.5Confident72.7Confident108 Ų108106 Ų10658%0.57854%0.539SS*.Hα-helixtrans-63.6-43.4177.3-78.8-14.7000112.1Q433 I434 L440 H441Q433-N437 WeakPolarHBondContact O-CB 3.37Å; Q433-N437 PolarHBondContact O-N 2.94Å; I434-N437 PolarHBondContact O-N 3.15Å; N437-L440 PolarHBondContact O-N 2.89Å; N437-H441 WeakPolarHBondContact O-CB 3.49Å; N437-H441 PolarHBondContact O-N 2.9Å
438N73.6Confident71.9Confident101 Ų101109.6 Ų109.654%0.5455%0.549SS..Hα-helixtrans-64.3-42.4176.6-76.4-20.5000112.2I434 N435 H441 Y442I434-N438 WeakPolarHBondContact O-CB 3.39Å; I434-N438 PolarHBondContact O-N 3.33Å; N435-N438 PolarHBondContact O-N 3.44Å; N438-H441 PolarHBondContact O-N 2.96Å; N438-Y442 WeakPolarHBondContact O-CB 3.16Å; N438-Y442 PolarHBondContact O-N 2.78Å
439L69.3Low71Confident117 Ų117111.6 Ų111.661%0.61356%0.56SS**Hα-helixtrans-64.7-42.1177.2-155.2105.3000111N435 A436 Y442 L443N435-L439 VanDerWaalsContact O-CB 3.29Å; N435-L439 WeakPolarHBondContact O-CB 3.25Å; N435-L439 PolarHBondContact O-N 3.01Å; A436-L439 PolarHBondContact O-N 3.46Å; L439-Y442 PolarHBondContact O-N 3.18Å; L439-L443 HydrophobicContact CD2-CD1 4.01Å; L439-L443 WeakPolarHBondContact O-CB 3.5Å; L439-L443 VanDerWaalsContact O-CG 3.28Å; L439-L443 WeakPolarHBondContact O-CG 3.17Å; L439-L443 PolarHBondContact O-N 2.93Å
440L68.2Low69.8Low114 Ų114115.9 Ų115.960%0.59757%0.574SS**Hα-helixtrans-64.7-42.7177.4-153.7124.6000110.9A436 N437 Y442 L443 V444A436-L440 VanDerWaalsContact O-CB 3.26Å; A436-L440 WeakPolarHBondContact O-CB 3.49Å; A436-L440 PolarHBondContact O-N 2.86Å; N437-L440 PolarHBondContact O-N 2.89Å; L440-Y442 VanDerWaalsContact C-N 3.33Å; L440-Y442 PolarHBondContact O-N 3.4Å; L440-L443 PolarHBondContact O-N 3.05Å; L440-V444 HydrophobicContact CD2-CG2 4.45Å; L440-V444 WeakPolarHBondContact O-CB 3.4Å; L440-V444 VanDerWaalsContact O-CG2 3.24Å; L440-V444 WeakPolarHBondContact O-CG2 3.35Å; L440-V444 PolarHBondContact O-N 3.45Å
441H66.7Low68.4Low143 Ų143122.8 Ų122.866%0.66259%0.591SS**Hα-helixtrans-62.6-39.1174.8-136.1-83.8000112.2N437 N438 R445N437-H441 WeakPolarHBondContact O-CB 3.49Å; N437-H441 PolarHBondContact O-N 2.9Å; N438-H441 PolarHBondContact O-N 2.96Å; H441-R445 WeakPolarHBondContact O-CB 3.46Å; H441-R445 PolarHBondContact O-N 3.35Å
442Y68.2Low67.4Low181 Ų181123.2 Ų123.271%0.7160%0.601SS**Hα-helixtrans-66.6-42.9175.9-164.1-94.7000112.2N438 L439 L440 R445 S446N438-Y442 WeakPolarHBondContact O-CB 3.16Å; N438-Y442 PolarHBondContact O-N 2.78Å; L439-Y442 PolarHBondContact O-N 3.18Å; L440-Y442 VanDerWaalsContact C-N 3.33Å; L440-Y442 PolarHBondContact O-N 3.4Å; Y442-R445 PolarHBondContact O-N 3.11Å; Y442-S446 PolarHBondContact O-N 3.39Å
443L69.8Low66.1Low94 Ų94121.8 Ų121.849%0.49260%0.599SS.*Hα-helixtrans-66.7-39.3177.3-72.1171.3000112.7L439 L440 R445 S446 K447L439-L443 HydrophobicContact CD2-CD1 4.01Å; L439-L443 WeakPolarHBondContact O-CB 3.5Å; L439-L443 VanDerWaalsContact O-CG 3.28Å; L439-L443 WeakPolarHBondContact O-CG 3.17Å; L439-L443 PolarHBondContact O-N 2.93Å; L440-L443 PolarHBondContact O-N 3.05Å; L443-R445 VanDerWaalsContact C-N 3.34Å; L443-S446 PolarHBondContact O-OG 3.24Å; L443-S446 VanDerWaalsContact O-OG 3.13Å; L443-K447 PolarHBondContact O-N 2.97Å; L443-K447 VanDerWaalsContact O-N 3.1Å
444V73.5Confident64.9Low83 Ų83117.5 Ų117.550%0.50359%0.59SS.*Hα-helixtrans-65.3-40175.21710000110.6L440 R448L440-V444 HydrophobicContact CD2-CG2 4.45Å; L440-V444 WeakPolarHBondContact O-CB 3.4Å; L440-V444 VanDerWaalsContact O-CG2 3.24Å; L440-V444 WeakPolarHBondContact O-CG2 3.35Å; L440-V444 PolarHBondContact O-N 3.45Å; V444-R448 PolarHBondContact O-N 3.45Å
445R66.9Low63.6Low198 Ų198118.5 Ų118.575%0.74760%0.596SS**Hα-helixtrans-69.3-38.9178.5-159.8174.9-175.8169.21.1112.5H441 Y442 L443 R448 S449H441-R445 WeakPolarHBondContact O-CB 3.46Å; H441-R445 PolarHBondContact O-N 3.35Å; Y442-R445 PolarHBondContact O-N 3.11Å; L443-R445 VanDerWaalsContact C-N 3.34Å; R445-R448 PolarHBondContact O-N 3.19Å; R445-S449 PolarHBondContact O-N 3.46Å
446S65.5Low62.6Low49 Ų49117.3 Ų117.334%0.34360%0.599SS.*Hα-helixtrans-69-33.4177.479.80000112.8Y442 L443 S449Y442-S446 PolarHBondContact O-N 3.39Å; L443-S446 PolarHBondContact O-OG 3.24Å; L443-S446 VanDerWaalsContact O-OG 3.13Å; S446-S449 PolarHBondContact O-OG 3.11Å
447K62.1Low61.5Low156 Ų156121.4 Ų121.468%0.67861%0.613SS**Hα-helixtrans-68.6-37.5172.9-79.9-171.9177.8-177.50112.3L443 S449L443-K447 PolarHBondContact O-N 2.97Å; L443-K447 VanDerWaalsContact O-N 3.1Å; K447-S449 PolarHBondContact O-N 3.07Å
448R59.4Low60.3Low212 Ų212122.4 Ų122.480%0.862%0.618SS**Hα-helixtrans-66.4-31.9177.9-101.6-175.3-179.3178.51.4113.8V444 R445V444-R448 PolarHBondContact O-N 3.45Å; R445-R448 PolarHBondContact O-N 3.19Å
449S57.2Low59.2Low80 Ų80125.7 Ų125.756%0.55963%0.627SS**Hα-helixtrans-76-27.9-178.977.90000113.8R445 S446 K447 W451R445-S449 PolarHBondContact O-N 3.46Å; S446-S449 PolarHBondContact O-OG 3.11Å; K447-S449 PolarHBondContact O-N 3.07Å; S449-W451 VanDerWaalsContact C-N 3.31Å; S449-W451 PolarHBondContact O-N 2.98Å
450K55.5Low58.5Low178 Ų178128.6 Ų128.677%0.77464%0.635SS**Hα-helixtrans-72.1-18-178.4-86.4-174.1175.1-177.70114.8
451W50Low57.8Low189 Ų189126.5 Ų126.572%0.71663%0.634SS**THydrogen-bonded Turntrans-104.30.8-175-6985.5000114.6S449 L455S449-W451 VanDerWaalsContact C-N 3.31Å; S449-W451 PolarHBondContact O-N 2.98Å; W451-L455 HydrophobicContact CE3-CD1 4.46Å
452S53.7Low57.1Low88 Ų88127.5 Ų127.562%0.61564%0.639SS**THydrogen-bonded Turntrans-78.6-28.3-177.669.30000116.3
453P51.2Low56.3Low88 Ų88126 Ų12657%0.57164%0.642SS**THydrogen-bonded Turntrans-85-28.3-179.2-11.728.9000113.9
454G53Low55Low42 Ų42129.1 Ų129.143%0.43366%0.659SS.*Hα-helixtrans-74.9-34.6-172.100000114.6A456 L457G454-A456 VanDerWaalsContact C-N 3.27Å; G454-A456 PolarHBondContact O-N 2.83Å; G454-L457 PolarHBondContact O-N 2.95Å
455L49.8Very low53.8Low116 Ų116136.9 Ų136.961%0.60769%0.689SS**Hα-helixtrans-71.4-20.3-178.5-94.491.7000113.6W451W451-L455 HydrophobicContact CE3-CD1 4.46Å
456A52.3Low53.2Low72 Ų72133.9 Ų133.960%0.59569%0.686SS**Hα-helixtrans-73.7-31.6177.900000112.5G454G454-A456 VanDerWaalsContact C-N 3.27Å; G454-A456 PolarHBondContact O-N 2.83Å
457L50.6Low52.5Low140 Ų140138.3 Ų138.373%0.73370%0.704SS**Hα-helixtrans-76.7-36.2179.8-80.6161.9000112.4G454 K459 K460G454-L457 PolarHBondContact O-N 2.95Å; L457-K459 PolarHBondContact O-N 3.04Å; L457-K460 PolarHBondContact O-N 3.04Å
458L48.9Very low52Low130 Ų130137.3 Ų137.368%0.68171%0.706SS**Hα-helixtrans-68.2-32.1179.3-84.1160.7000113.3K460L458-K460 VanDerWaalsContact C-N 3.32Å; L458-K460 PolarHBondContact O-N 3.21Å
459K52.5Low51.6Low169 Ų169132.9 Ų132.974%0.73570%0.7SS**Hα-helixtrans-72-21.6177.1-94.7-174.2174.7-175.40114.2L457L457-K459 PolarHBondContact O-N 3.04Å
460K53.9Low51.2Low178 Ų178136.3 Ų136.377%0.77471%0.709SS**Hα-helixtrans-84.3-23-179.4-137.1178.9-175.4-174.30113L457 L458L457-K460 PolarHBondContact O-N 3.04Å; L458-K460 VanDerWaalsContact C-N 3.32Å; L458-K460 PolarHBondContact O-N 3.21Å
461A52.7Low50.9Low71 Ų71133.5 Ų133.559%0.58771%0.705SS**Hα-helixtrans-78.1-24.217900000113.6L463A461-L463 VanDerWaalsContact C-N 3.33Å; A461-L463 PolarHBondContact O-N 3.12Å
462Q53.4Low51Low164 Ų164129.5 Ų129.577%0.76670%0.704SS**THydrogen-bonded Turntrans-84.22.4-179.3-86-177.3-40.800115.2
463L50.3Low50.8Low148 Ų148132.7 Ų132.778%0.77571%0.711SS**THydrogen-bonded Turntrans-102.413.3175.7-93.1155.7000113.6A461A461-L463 VanDerWaalsContact C-N 3.33Å; A461-L463 PolarHBondContact O-N 3.12Å
464L43.5Very low50.8Low161 Ų161136.4 Ų136.484%0.84372%0.722SS**  trans-11559.5167-72.8165000109.4
465H48.3Very low50.6Low246 Ų246145 Ų145100%1.13975%0.749SS**  trans-110.20147.6-94.6-66.2000106.3

Retrieved 465 of 465 residues in 611.8 ms (Link to these results)

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