A0A024R798_HUMAN Loading...

Choline transporter-like protein

Choline transporter.

AlphaFold DB , UniProt , Accession A0A024R798, Species HUMAN (Homo sapiens, Human), Gene SLC44A2, Length 704 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
1M38Very low52Low193 Ų193111.2 Ų111.295%0.95158%0.583SS**  0-50.70-83.9-175179.700113.9R5M1-R5 PolarHBondContact O-N 3.11Å; M1-R5 VanDerWaalsContact O-N 3.16Å
2E37.1Very low53.8Low156 Ų156110.9 Ų110.973%0.72959%0.59SS**Hα-helixtrans-69.5-37.4179.1-131.4-178.2167.100113.7K6E2-K6 PolarHBondContact O-N 3.04Å
3D44.5Very low55.5Low121 Ų121106.4 Ų106.465%0.64757%0.571SS**Hα-helixtrans-72-31175.7-76.7-26.3000112.9N7D3-N7 VanDerWaalsContact O-CG 3.29Å; D3-N7 PolarHBondContact O-N 3.11Å; D3-N7 PolarHBondContact O-ND2 3.1Å
4E43.7Very low56.8Low146 Ų146103.1 Ų103.168%0.68255%0.55SS*.Hα-helixtrans-74.7-35.8176.6-73179.9145.500112.5N7E4-N7 PolarHBondContact O-N 3.2Å
5R45.3Very low58.4Low222 Ų222107.8 Ų107.884%0.83856%0.564SS**Hα-helixtrans-66.1-35.7172.6-107.8-176.3-170.1-177.33.8112.5M1 G8M1-R5 PolarHBondContact O-N 3.11Å; M1-R5 VanDerWaalsContact O-N 3.16Å; R5-G8 PolarHBondContact O-N 3.35Å
6K49.3Very low59.7Low65 Ų65106.1 Ų106.128%0.28355%0.548SS..Hα-helixtrans-66.5-33.7177.3-80.7177.4-179.3167.60113.2E2 G8 A9 Y10E2-K6 PolarHBondContact O-N 3.04Å; K6-G8 VanDerWaalsContact C-N 3.28Å; K6-G8 PolarHBondContact O-N 3.35Å; K6-A9 PolarHBondContact O-N 3.1Å; K6-Y10 PolarHBondContact O-N 3.27Å
7N52.2Low60.8Low58 Ų58103.8 Ų103.831%0.3154%0.537SS..Hα-helixtrans-69.6-21.6-179.4-70.9-21.3000113.6D3 E4 G11D3-N7 VanDerWaalsContact O-CG 3.29Å; D3-N7 PolarHBondContact O-N 3.11Å; D3-N7 PolarHBondContact O-ND2 3.1Å; E4-N7 PolarHBondContact O-N 3.2Å; N7-G11 CarbonylContact O-C 3.51Å; N7-G11 VanDerWaalsContact O-C 3.31Å
8G58Low61.6Low71 Ų71103.8 Ų103.873%0.73254%0.544SS*.Hα-helixtrans-77-36.517600000114R5 K6R5-G8 PolarHBondContact O-N 3.35Å; K6-G8 VanDerWaalsContact C-N 3.28Å; K6-G8 PolarHBondContact O-N 3.35Å
9A63.4Low62.5Low72 Ų72103.1 Ų103.160%0.59555%0.545SS*.Hα-helixtrans-87.8-28-174.900000114.1K6K6-A9 PolarHBondContact O-N 3.1Å
10Y71.6Confident63.5Low90 Ų90100.4 Ų100.435%0.35353%0.528SS..SBendtrans-11625.3-175.1-59.4-68.2000113.5K6 F580 M583K6-Y10 PolarHBondContact O-N 3.27Å; Y10-F580 HydrophobicContact CD1-CD1 4.37Å; Y10-F580 VanDerWaalsContact O-CB 3.3Å; Y10-F580 WeakPolarHBondContact O-CB 3.36Å; Y10-F580 WeakPolarHBondContact O-CG 3.48Å; Y10-M583 HydrophobicContact CD1-CB 3.62Å; Y10-M583 HydrophobicContact CD1-CG 4.11Å; Y10-M583 HydrophobicContact CD2-CB 4.47Å; Y10-M583 HydrophobicContact CE1-CB 3.93Å; Y10-M583 HydrophobicContact CE1-CG 4.08Å; Y10-M583 HydrophobicContact CE1-SD 4.48Å; Y10-M583 HydrophobicContact CG-CB 3.91Å
11G68.7Low64.2Low29 Ų29102.9 Ų102.930%0.29954%0.535SS..  trans76167-179.800000114.1N7 R584N7-G11 CarbonylContact O-C 3.51Å; N7-G11 VanDerWaalsContact O-C 3.31Å; G11-R584 WeakPolarHBondContact O-CD 3.45Å
12T74.3Confident66.3Low108 Ų10894.2 Ų94.266%0.66350%0.495SS*.PPolyproline II helixtrans-81.6152.2-178.449.40000112.3
13P75.1Confident68.6Low52 Ų5287 Ų8734%0.33846%0.462SS..PPolyproline II helixtrans-48.8139.2169.9-27.535.4000114.1K15 E674P13-K15 PolarHBondContact O-N 2.86Å; P13-K15 VanDerWaalsContact O-N 3.16Å; P13-E674 HydrophobicContact CB-CB 4.49Å
14Q74.6Confident70.4Confident60 Ų6083.5 Ų83.528%0.2844%0.443SS..PPolyproline II helixtrans-62.7117.5-179-162.379.11600108.6E674 R675Q14-E674 PolarHBondContact N-OE2 2.66Å; Q14-R675 HydrophobicContact CB-CG 4.25Å; Q14-R675 HydrophobicContact CG-CG 4.34Å; Q14-R675 VanDerWaalsContact CG-NE 3.33Å; Q14-R675 WeakPolarHBondContact O-CG 3.28Å
15K79.6Confident72.2Confident174 Ų17483.3 Ų83.376%0.75744%0.437SS*.PPolyproline II helixtrans-71.6149.4-178.9-64.4-175.8-179.2-178.90110.6P13 D17P13-K15 PolarHBondContact O-N 2.86Å; P13-K15 VanDerWaalsContact O-N 3.16Å; K15-D17 PolarHBondContact O-N 3.22Å
16Y79.3Confident73.8Confident81 Ų8179 Ų7932%0.31843%0.43SS..PPolyproline II helixtrans-59.6130.3171.4178.1-97.6000110.6P18 E681 R682Y16-P18 HydrophobicContact CE1-CB 3.95Å; Y16-E681 PolarHBondContact OH-O 3.19Å; Y16-E681 VanDerWaalsContact OH-O 3.11Å; Y16-R682 HydrophobicContact CD1-CG 4.26Å; Y16-R682 HydrophobicContact CD2-CB 4.21Å; Y16-R682 HydrophobicContact CD2-CG 3.72Å; Y16-R682 HydrophobicContact CE1-CG 4.19Å; Y16-R682 HydrophobicContact CE2-CB 4.11Å; Y16-R682 HydrophobicContact CE2-CG 3.65Å; Y16-R682 HydrophobicContact CG-CG 4.03Å
17D79.4Confident75.6Confident67 Ų6777.8 Ų77.836%0.35842%0.424SS..  trans-115.3109.3177.4178.60.5000109.3K15 T19 F20K15-D17 PolarHBondContact O-N 3.22Å; D17-T19 VanDerWaalsContact CG-OG1 3.31Å; D17-T19 PolarHBondContact O-N 2.64Å; D17-T19 WeakPolarHBondContact OD1-CB 3.4Å; D17-T19 PolarHBondContact OD1-N 3.44Å; D17-T19 PolarHBondContact OD1-OG1 3.19Å; D17-T19 PolarHBondContact OD2-OG1 2.98Å; D17-F20 HydrophobicContact CB-CB 4.26Å; D17-F20 WeakPolarHBondContact O-CB 3.46Å; D17-F20 PolarHBondContact O-N 3.46Å
18P74.8Confident77.2Confident103 Ų10376.9 Ų76.967%0.66943%0.428SS*.THydrogen-bonded Turntrans-67.8-14.9-179.628.3-34.1000113.2Y16Y16-P18 HydrophobicContact CE1-CB 3.95Å
19T78Confident78.8Confident90 Ų9077.2 Ų77.255%0.55242%0.419SS*.THydrogen-bonded Turntrans-88.2-8.9179.472.40000113.1D17 K21D17-T19 VanDerWaalsContact CG-OG1 3.31Å; D17-T19 PolarHBondContact O-N 2.64Å; D17-T19 WeakPolarHBondContact OD1-CB 3.4Å; D17-T19 PolarHBondContact OD1-N 3.44Å; D17-T19 PolarHBondContact OD1-OG1 3.19Å; D17-T19 PolarHBondContact OD2-OG1 2.98Å; T19-K21 PolarHBondContact O-N 2.95Å; T19-K21 VanDerWaalsContact O-N 3.1Å
20F82.6Confident80.2Confident49 Ų4974.4 Ų74.422%0.21539%0.394CS..  trans-73.5101.8-179.8-178.9-110.6000111.4D17 G22 W475 I566 Y567D17-F20 HydrophobicContact CB-CB 4.26Å; D17-F20 WeakPolarHBondContact O-CB 3.46Å; D17-F20 PolarHBondContact O-N 3.46Å; F20-G22 VanDerWaalsContact C-N 3.29Å; F20-G22 PolarHBondContact O-N 2.82Å; F20-W475 HydrophobicContact CE1-CD2 4.08Å; F20-W475 HydrophobicContact CE1-CE3 4.23Å; F20-W475 HydrophobicContact CE1-CG 4.48Å; F20-I566 HydrophobicContact CE2-CG2 4.36Å; F20-I566 HydrophobicContact CZ-CG2 3.92Å; F20-Y567 HydrophobicContact CD2-CD1 4.14Å; F20-Y567 AromaticContact CD2-CE1 3.72Å; F20-Y567 HydrophobicContact CD2-CE1 3.72Å; F20-Y567 AromaticContact CE2-CD1 3.8Å; F20-Y567 HydrophobicContact CE2-CD1 3.8Å; F20-Y567 AromaticContact CE2-CE1 3.38Å; F20-Y567 HydrophobicContact CE2-CE1 3.38Å; F20-Y567 HydrophobicContact CG-CE1 4.48Å; F20-Y567 AromaticContact CZ-CE1 3.89Å; F20-Y567 HydrophobicContact CZ-CE1 3.89Å
21K78.2Confident81.2Confident154 Ų15472.1 Ų72.167%0.6739%0.388SS*.  trans-92.626.5176.7-62-174.2-179.3-176.40113.2T19 Y25T19-K21 PolarHBondContact O-N 2.95Å; T19-K21 VanDerWaalsContact O-N 3.1Å; K21-Y25 HydrophobicContact CB-CD2 4Å; K21-Y25 HydrophobicContact CB-CG 4.42Å; K21-Y25 WeakPolarHBondContact O-CD2 3.18Å
22G82.8Confident82.4Confident11 Ų1175.8 Ų75.811%0.11340%0.399CS..  trans78.4-173.4-177.600000114.3F20 I24F20-G22 VanDerWaalsContact C-N 3.29Å; F20-G22 PolarHBondContact O-N 2.82Å; G22-I24 PolarHBondContact O-N 3.33Å; G22-I24 VanDerWaalsContact O-N 3.14Å
23P84.5Confident83.3Confident4 Ų477.6 Ų77.63%0.02640%0.404CS..SBendtrans-81.913-167.633.5-37.7000115.4R27 A471P23-R27 VanDerWaalsContact O-CZ 3.26Å; P23-R27 PolarHBondContact O-NE 3.14Å; P23-R27 PolarHBondContact O-NH2 3.28Å; P23-A471 HydrophobicContact CB-CB 4.31Å; P23-A471 HydrophobicContact CG-CB 4.13Å
24I83.2Confident84.2Confident48 Ų4876.4 Ų76.425%0.24640%0.396CS..SBendtrans-104.5-41-176-59.2175.7000111G22 P484G22-I24 PolarHBondContact O-N 3.33Å; G22-I24 VanDerWaalsContact O-N 3.14Å; I24-P484 HydrophobicContact CD1-CG 4.35Å
25Y80.4Confident85.1Confident142 Ų14275.1 Ų75.156%0.55739%0.393SS*.SBendtrans-97.2162.9-171-58.4-78.7000112.4K21K21-Y25 HydrophobicContact CB-CD2 4Å; K21-Y25 HydrophobicContact CB-CG 4.42Å; K21-Y25 WeakPolarHBondContact O-CD2 3.18Å
26N80Confident85.9Confident132 Ų13270.4 Ų70.471%0.70638%0.379SS*.SBendtrans54.463.4176.7-61.9-17.2000114.3
27R85.9Confident86.7Confident39 Ų3971.6 Ų71.615%0.14739%0.386CS..  trans-103.7137.8175.8-58.1-51.9-166.2-17315.6111.6P23 Y498 A565 I566 Y567 G568P23-R27 VanDerWaalsContact O-CZ 3.26Å; P23-R27 PolarHBondContact O-NE 3.14Å; P23-R27 PolarHBondContact O-NH2 3.28Å; R27-Y498 HydrophobicContact CB-CD1 4.31Å; R27-Y498 HydrophobicContact CB-CD2 3.76Å; R27-Y498 HydrophobicContact CB-CE1 4.47Å; R27-Y498 HydrophobicContact CB-CE2 3.94Å; R27-Y498 HydrophobicContact CB-CG 3.96Å; R27-Y498 HydrophobicContact CG-CD2 4.41Å; R27-A565 PolarHBondContact NH2-O 3.05Å; R27-I566 PolarHBondContact NH1-O 3.43Å; R27-I566 PolarHBondContact NH2-O 3.25Å; R27-Y567 PolarHBondContact NH1-O 3.34Å; R27-G568 VanDerWaalsContact NH1-N 3.1Å
28G87.2Confident87.4Confident39 Ų3968.6 Ų68.640%0.40237%0.37SS..  trans-126.4158.6172.600000111T30G28-T30 PolarHBondContact O-N 3.48Å
29C91.5Very high88.4Confident78 Ų7868.6 Ų68.653%0.52736%0.364SS..  trans-66.4132.2176.3-63.60000110.7I32 Y498C29-I32 HydrophobicContact CB-CD1 4.07Å; C29-I32 HydrophobicContact CB-CG1 3.98Å; C29-Y498 CarbonylContact C-O 3.18Å; C29-Y498 VanDerWaalsContact CA-O 3.29Å; C29-Y498 WeakPolarHBondContact CA-O 3.46Å
30T91.8Very high89.3Confident12 Ų1269.8 Ų69.87%0.07437%0.366CS..  trans-113.7141.8-177.657.50000111.8G28 I32 Y498 H499 G501 S502 G568G28-T30 PolarHBondContact O-N 3.48Å; T30-I32 PolarHBondContact O-N 2.94Å; T30-Y498 PolarHBondContact N-O 3.26Å; T30-Y498 PolarHBondContact OG1-O 3.36Å; T30-H499 WeakPolarHBondContact OG1-CA 3.18Å; T30-H499 PolarHBondContact OG1-ND1 3.5Å; T30-G501 WeakPolarHBondContact O-CA 3.34Å; T30-S502 WeakPolarHBondContact CB-OG 3.29Å; T30-S502 PolarHBondContact OG1-OG 3.31Å; T30-G568 WeakPolarHBondContact CG2-O 3.34Å
31D93.2Very high89.9Confident42 Ų4268.1 Ų68.123%0.22536%0.361CS..  trans50.148.5176.8-57.7-59.9000114I33 C34 C35 G501 S502 N570 F571D31-I33 PolarHBondContact O-N 3.42Å; D31-I33 VanDerWaalsContact O-N 3.14Å; D31-C34 HydrophobicContact CB-CB 4.35Å; D31-C34 WeakPolarHBondContact O-CB 3.4Å; D31-C34 PolarHBondContact O-N 3.42Å; D31-C35 PolarHBondContact O-N 3.43Å; D31-G501 VanDerWaalsContact O-CA 3.32Å; D31-G501 WeakPolarHBondContact O-CA 3.23Å; D31-S502 WeakPolarHBondContact OD2-CA 3.2Å; D31-S502 VanDerWaalsContact OD2-CB 3.28Å; D31-S502 WeakPolarHBondContact OD2-CB 3.42Å; D31-S502 PolarHBondContact OD2-OG 3.28Å; D31-N570 WeakPolarHBondContact OD1-CB 3.32Å; D31-N570 WeakPolarHBondContact OD2-CA 3.45Å; D31-N570 WeakPolarHBondContact OD2-CB 3.38Å; D31-F571 PolarHBondContact OD2-N 3.49Å
32I93.7Very high90.7Very high106 Ų10663.6 Ų63.654%0.54434%0.344SS..Hα-helixtrans-53.5-38.6-173.1-61170.6000112.6C29 T30 C34 C35 V36C29-I32 HydrophobicContact CB-CD1 4.07Å; C29-I32 HydrophobicContact CB-CG1 3.98Å; T30-I32 PolarHBondContact O-N 2.94Å; I32-C34 VanDerWaalsContact C-N 3.3Å; I32-C34 PolarHBondContact O-N 2.87Å; I32-C35 WeakPolarHBondContact O-CA 3.5Å; I32-C35 VanDerWaalsContact O-CB 3.25Å; I32-C35 WeakPolarHBondContact O-CB 3.47Å; I32-C35 PolarHBondContact O-N 2.74Å; I32-C35 VanDerWaalsContact O-N 3.08Å; I32-V36 HydrophobicContact CG2-CG2 4.46Å; I32-V36 PolarHBondContact O-N 3Å
33I94.4Very high91.4Very high147 Ų14767.9 Ų67.975%0.75437%0.368SS*.Hα-helixtrans-58.9-42.2178.2-64.5166.8000111.1D31 C35 V36 F37D31-I33 PolarHBondContact O-N 3.42Å; D31-I33 VanDerWaalsContact O-N 3.14Å; I33-C35 VanDerWaalsContact C-N 3.3Å; I33-C35 PolarHBondContact O-N 3.08Å; I33-V36 PolarHBondContact O-N 3.46Å; I33-F37 WeakPolarHBondContact O-CB 3.28Å; I33-F37 PolarHBondContact O-N 3.03Å
34C93.6Very high91.9Very high26 Ų2669.1 Ų69.118%0.17638%0.381CS..Hα-helixtrans-69.7-31178.2-660000111.9D31 I32 L38 G501 F505D31-C34 HydrophobicContact CB-CB 4.35Å; D31-C34 WeakPolarHBondContact O-CB 3.4Å; D31-C34 PolarHBondContact O-N 3.42Å; I32-C34 VanDerWaalsContact C-N 3.3Å; I32-C34 PolarHBondContact O-N 2.87Å; C34-L38 WeakPolarHBondContact O-CB 3.46Å; C34-L38 PolarHBondContact O-N 2.91Å; C34-G501 WeakPolarHBondContact CB-O 3.31Å; C34-F505 HydrophobicContact CB-CB 4.05Å; C34-F505 VanDerWaalsContact SG-CD2 3.51Å
35C93.8Very high92.5Very high33 Ų3367.3 Ų67.322%0.22337%0.371CS..Hα-helixtrans-64-48.8172-171.80000111D31 I32 I33 F37 L38 L39D31-C35 PolarHBondContact O-N 3.43Å; I32-C35 WeakPolarHBondContact O-CA 3.5Å; I32-C35 VanDerWaalsContact O-CB 3.25Å; I32-C35 WeakPolarHBondContact O-CB 3.47Å; I32-C35 PolarHBondContact O-N 2.74Å; I32-C35 VanDerWaalsContact O-N 3.08Å; I33-C35 VanDerWaalsContact C-N 3.3Å; I33-C35 PolarHBondContact O-N 3.08Å; C35-F37 VanDerWaalsContact C-N 3.33Å; C35-F37 PolarHBondContact O-N 3.43Å; C35-L38 PolarHBondContact O-N 3.46Å; C35-L39 WeakPolarHBondContact O-CG 3.46Å; C35-L39 PolarHBondContact O-N 2.85Å
36V95.3Very high93.2Very high76 Ų7663.8 Ų63.846%0.46136%0.364SS..Hα-helixtrans-60.4-44.4176.61750000110.8I32 I33 L38 L39 L40I32-V36 HydrophobicContact CG2-CG2 4.46Å; I32-V36 PolarHBondContact O-N 3Å; I33-V36 PolarHBondContact O-N 3.46Å; V36-L38 PolarHBondContact O-N 3.28Å; V36-L39 PolarHBondContact O-N 2.67Å; V36-L40 HydrophobicContact CG1-CD1 4.05Å; V36-L40 HydrophobicContact CG1-CG 4.41Å; V36-L40 WeakPolarHBondContact O-CG 3.41Å; V36-L40 PolarHBondContact O-N 2.7Å
37F95.5Very high93.9Very high106 Ų10659.6 Ų59.647%0.46535%0.348SS..Hα-helixtrans-62-41.6178.1-173-115.3000112.3I33 C35 L40 A41 W453 L508I33-F37 WeakPolarHBondContact O-CB 3.28Å; I33-F37 PolarHBondContact O-N 3.03Å; C35-F37 VanDerWaalsContact C-N 3.33Å; C35-F37 PolarHBondContact O-N 3.43Å; F37-L40 PolarHBondContact O-N 2.98Å; F37-A41 VanDerWaalsContact O-CB 3.28Å; F37-A41 WeakPolarHBondContact O-CB 3.47Å; F37-A41 PolarHBondContact O-N 3.29Å; F37-W453 AromaticContact CD1-CH2 3.25Å; F37-W453 HydrophobicContact CD1-CH2 3.25Å; F37-W453 AromaticContact CD1-CZ2 3.96Å; F37-W453 HydrophobicContact CD1-CZ2 3.96Å; F37-W453 HydrophobicContact CD1-CZ3 4.13Å; F37-W453 AromaticContact CE1-CH2 3.32Å; F37-W453 HydrophobicContact CE1-CH2 3.32Å; F37-W453 HydrophobicContact CE1-CZ2 4.23Å; F37-W453 AromaticContact CE1-CZ3 3.76Å; F37-W453 HydrophobicContact CE1-CZ3 3.76Å; F37-W453 HydrophobicContact CG-CH2 4.28Å; F37-W453 HydrophobicContact CZ-CH2 4.41Å; F37-L508 HydrophobicContact CE1-CD2 4.37Å
38L95.3Very high94.3Very high4 Ų458.5 Ų58.52%0.02135%0.346CS..Hα-helixtrans-62-44.6174.5179.966.3000111.7C34 C35 V36 A41 I42 W453 L454 F457 T500 A504C34-L38 WeakPolarHBondContact O-CB 3.46Å; C34-L38 PolarHBondContact O-N 2.91Å; C35-L38 PolarHBondContact O-N 3.46Å; V36-L38 PolarHBondContact O-N 3.28Å; L38-A41 PolarHBondContact O-N 3.44Å; L38-I42 HydrophobicContact CD1-CD1 4.25Å; L38-I42 HydrophobicContact CD1-CG1 4.44Å; L38-I42 HydrophobicContact CG-CD1 3.96Å; L38-I42 VanDerWaalsContact O-CG1 3.3Å; L38-I42 WeakPolarHBondContact O-CG1 3.35Å; L38-I42 PolarHBondContact O-N 2.65Å; L38-W453 HydrophobicContact CB-CH2 4.46Å; L38-W453 HydrophobicContact CB-CZ2 4.21Å; L38-W453 HydrophobicContact CD1-CD2 4.24Å; L38-W453 HydrophobicContact CD1-CH2 4.22Å; L38-W453 HydrophobicContact CD1-CZ2 3.87Å; L38-L454 HydrophobicContact CD1-CD2 4.16Å; L38-F457 HydrophobicContact CD2-CD2 3.8Å; L38-F457 HydrophobicContact CD2-CE2 3.68Å; L38-F457 HydrophobicContact CD2-CG 4.31Å; L38-F457 HydrophobicContact CD2-CZ 4.12Å; L38-T500 HydrophobicContact CD2-CG2 4.38Å; L38-A504 HydrophobicContact CB-CB 3.97Å; L38-A504 HydrophobicContact CD2-CB 3.7Å; L38-A504 HydrophobicContact CG-CB 4.32Å
39L95.3Very high94.6Very high103 Ų10356.6 Ų56.654%0.53933%0.326SS..Hα-helixtrans-62.5-45.7178.7-70.3173.6000111.7C35 V36 A41 I42 V43C35-L39 WeakPolarHBondContact O-CG 3.46Å; C35-L39 PolarHBondContact O-N 2.85Å; V36-L39 PolarHBondContact O-N 2.67Å; L39-A41 VanDerWaalsContact C-N 3.32Å; L39-A41 PolarHBondContact O-N 3.44Å; L39-I42 PolarHBondContact O-N 3.31Å; L39-V43 WeakPolarHBondContact O-CG2 3.26Å; L39-V43 PolarHBondContact O-N 3.32Å
40L96.3Very high94.7Very high115 Ų11557.2 Ų57.260%0.60232%0.323SS*.Hα-helixtrans-61.2-41.6175.2-70.1174.6000111.7V36 F37 I42 V43 G44V36-L40 HydrophobicContact CG1-CD1 4.05Å; V36-L40 HydrophobicContact CG1-CG 4.41Å; V36-L40 WeakPolarHBondContact O-CG 3.41Å; V36-L40 PolarHBondContact O-N 2.7Å; F37-L40 PolarHBondContact O-N 2.98Å; L40-I42 PolarHBondContact O-N 2.84Å; L40-V43 PolarHBondContact O-N 2.88Å; L40-G44 PolarHBondContact O-N 3.31Å
41A95.6Very high94.6Very high13 Ų1360 Ų6011%0.10734%0.337CS..Hα-helixtrans-64.4-38.9176.900000112.2F37 L38 L39 G44 Y45 M450 W453F37-A41 VanDerWaalsContact O-CB 3.28Å; F37-A41 WeakPolarHBondContact O-CB 3.47Å; F37-A41 PolarHBondContact O-N 3.29Å; L38-A41 PolarHBondContact O-N 3.44Å; L39-A41 VanDerWaalsContact C-N 3.32Å; L39-A41 PolarHBondContact O-N 3.44Å; A41-G44 PolarHBondContact O-N 3.48Å; A41-Y45 VanDerWaalsContact O-CB 3.27Å; A41-Y45 WeakPolarHBondContact O-CB 3.16Å; A41-Y45 PolarHBondContact O-N 3.01Å; A41-M450 HydrophobicContact CB-CE 3.8Å; A41-M450 HydrophobicContact CB-SD 3.93Å; A41-W453 HydrophobicContact CB-CE3 4.39Å; A41-W453 HydrophobicContact CB-CH2 4.01Å; A41-W453 HydrophobicContact CB-CZ3 3.52Å
42I95.8Very high94.4Very high60 Ų6058 Ų5831%0.30833%0.326SS..Hα-helixtrans-63.6-45.8174-70.7166.4000110.7L38 L39 L40 G44 Y45 V46 L454L38-I42 HydrophobicContact CD1-CD1 4.25Å; L38-I42 HydrophobicContact CD1-CG1 4.44Å; L38-I42 HydrophobicContact CG-CD1 3.96Å; L38-I42 VanDerWaalsContact O-CG1 3.3Å; L38-I42 WeakPolarHBondContact O-CG1 3.35Å; L38-I42 PolarHBondContact O-N 2.65Å; L39-I42 PolarHBondContact O-N 3.31Å; L40-I42 PolarHBondContact O-N 2.84Å; I42-G44 VanDerWaalsContact C-N 3.35Å; I42-G44 PolarHBondContact O-N 3.06Å; I42-Y45 WeakPolarHBondContact O-CB 3.5Å; I42-Y45 PolarHBondContact O-N 3.26Å; I42-Y45 VanDerWaalsContact O-N 3.12Å; I42-V46 WeakPolarHBondContact O-CG2 3.16Å; I42-V46 PolarHBondContact O-N 3.38Å; I42-L454 HydrophobicContact CD1-CD2 4.1Å; I42-L454 HydrophobicContact CG1-CD2 3.96Å
43V96.4Very high94.3Very high101 Ų10158.2 Ų58.261%0.61232%0.32SS*.Hα-helixtrans-60.4-45.7176.91720000110.9L39 L40 Y45 V46 A47L39-V43 WeakPolarHBondContact O-CG2 3.26Å; L39-V43 PolarHBondContact O-N 3.32Å; L40-V43 PolarHBondContact O-N 2.88Å; V43-Y45 VanDerWaalsContact C-N 3.29Å; V43-Y45 PolarHBondContact O-N 3.48Å; V43-V46 PolarHBondContact O-N 2.99Å; V43-A47 PolarHBondContact O-N 3.5Å
44G95.1Very high94Very high30 Ų3055.8 Ų55.831%0.30931%0.313SS..Hα-helixtrans-60.4-38.3174.100000112.6L40 A41 I42 A47 V48L40-G44 PolarHBondContact O-N 3.31Å; A41-G44 PolarHBondContact O-N 3.48Å; I42-G44 VanDerWaalsContact C-N 3.35Å; I42-G44 PolarHBondContact O-N 3.06Å; G44-A47 WeakPolarHBondContact O-CB 3.45Å; G44-A47 PolarHBondContact O-N 3.46Å; G44-V48 WeakPolarHBondContact O-CG2 3.45Å; G44-V48 PolarHBondContact O-N 2.75Å
45Y96.1Very high93.7Very high9 Ų959.8 Ų59.84%0.03533%0.328CS..Hα-helixtrans-69.1-35.5178.1-170.4-139.8000113.4A41 I42 V43 V48 G49 Y375 W376 F446 N447 M450 L454A41-Y45 VanDerWaalsContact O-CB 3.27Å; A41-Y45 WeakPolarHBondContact O-CB 3.16Å; A41-Y45 PolarHBondContact O-N 3.01Å; I42-Y45 WeakPolarHBondContact O-CB 3.5Å; I42-Y45 PolarHBondContact O-N 3.26Å; I42-Y45 VanDerWaalsContact O-N 3.12Å; V43-Y45 VanDerWaalsContact C-N 3.29Å; V43-Y45 PolarHBondContact O-N 3.48Å; Y45-V48 PolarHBondContact O-N 3.01Å; Y45-G49 PolarHBondContact O-N 2.92Å; Y45-Y375 HydrophobicContact CD1-CD1 4.05Å; Y45-Y375 AromaticContact CD1-CE1 3.65Å; Y45-Y375 HydrophobicContact CD1-CE1 3.65Å; Y45-Y375 HydrophobicContact CD2-CE1 4.2Å; Y45-Y375 AromaticContact CE1-CD1 3.29Å; Y45-Y375 HydrophobicContact CE1-CD1 3.29Å; Y45-Y375 AromaticContact CE1-CE1 3.3Å; Y45-Y375 HydrophobicContact CE1-CE1 3.3Å; Y45-Y375 HydrophobicContact CE1-CG 4.49Å; Y45-Y375 HydrophobicContact CE2-CD1 4.32Å; Y45-Y375 AromaticContact CE2-CE1 3.86Å; Y45-Y375 HydrophobicContact CE2-CE1 3.86Å; Y45-Y375 HydrophobicContact CG-CE1 4.09Å; Y45-Y375 AromaticContact CZ-CD1 3.45Å; Y45-Y375 VanDerWaalsContact CZ-CD1 3.45Å; Y45-Y375 AromaticContact CZ-CE1 3.42Å; Y45-Y375 VanDerWaalsContact CZ-CE1 3.42Å; Y45-Y375 PolarHBondContact O-OH 2.92Å; Y45-Y375 WeakPolarHBondContact OH-CD1 3.41Å; Y45-W376 WeakPolarHBondContact OH-CA 3.48Å; Y45-F446 HydrophobicContact CD2-CE1 4.1Å; Y45-N447 HydrophobicContact CE2-CB 4.24Å; Y45-N447 WeakPolarHBondContact CE2-OD1 3.26Å; Y45-N447 VanDerWaalsContact CZ-OD1 3.31Å; Y45-N447 PolarHBondContact OH-OD1 3.23Å; Y45-M450 HydrophobicContact CD1-CB 3.83Å; Y45-M450 HydrophobicContact CD1-CE 4.4Å; Y45-M450 HydrophobicContact CD1-CG 4.34Å; Y45-M450 HydrophobicContact CD2-CB 3.74Å; Y45-M450 HydrophobicContact CD2-CG 3.83Å; Y45-M450 HydrophobicContact CE1-CB 3.86Å; Y45-M450 HydrophobicContact CE2-CB 3.81Å; Y45-M450 HydrophobicContact CE2-CG 4.36Å; Y45-M450 HydrophobicContact CG-CB 3.76Å; Y45-M450 HydrophobicContact CG-CE 4.38Å; Y45-M450 HydrophobicContact CG-CG 3.83Å; Y45-L454 HydrophobicContact CD1-CD1 3.94Å; Y45-L454 HydrophobicContact CE1-CD1 3.97Å
46V95.6Very high93.2Very high68 Ų6858.7 Ų58.741%0.41232%0.323SS..Hα-helixtrans-63.2-45169.6174.50000110.7I42 V43 V48 G49 I50 Y375I42-V46 WeakPolarHBondContact O-CG2 3.16Å; I42-V46 PolarHBondContact O-N 3.38Å; V43-V46 PolarHBondContact O-N 2.99Å; V46-V48 PolarHBondContact O-N 2.86Å; V46-G49 PolarHBondContact O-N 3.35Å; V46-G49 VanDerWaalsContact O-N 3.15Å; V46-I50 HydrophobicContact CG1-CD1 4.07Å; V46-I50 WeakPolarHBondContact O-CG1 3.47Å; V46-I50 PolarHBondContact O-N 2.85Å; V46-Y375 VanDerWaalsContact CA-OH 3.3Å; V46-Y375 WeakPolarHBondContact CA-OH 3.39Å
47A94.6Very high92.7Very high44 Ų4456.4 Ų56.436%0.36431%0.308SS..Hα-helixtrans-60.6-42.9176.800000112.6V43 G44 G49 I50 I51V43-A47 PolarHBondContact O-N 3.5Å; G44-A47 WeakPolarHBondContact O-CB 3.45Å; G44-A47 PolarHBondContact O-N 3.46Å; A47-G49 VanDerWaalsContact C-N 3.32Å; A47-G49 PolarHBondContact O-N 3.4Å; A47-I50 PolarHBondContact O-N 2.61Å; A47-I51 WeakPolarHBondContact O-CG1 3.05Å; A47-I51 PolarHBondContact O-N 2.85Å
48V93.4Very high92.1Very high16 Ų1653.7 Ų53.710%0.09730%0.301CS..Hα-helixtrans-62-40.3174.3171.90000111.5G44 Y45 V46 I51 A52 T379 L383 L443 F446G44-V48 WeakPolarHBondContact O-CG2 3.45Å; G44-V48 PolarHBondContact O-N 2.75Å; Y45-V48 PolarHBondContact O-N 3.01Å; V46-V48 PolarHBondContact O-N 2.86Å; V48-I51 PolarHBondContact O-N 2.67Å; V48-A52 VanDerWaalsContact O-CB 3.29Å; V48-A52 WeakPolarHBondContact O-CB 3.48Å; V48-A52 PolarHBondContact O-N 3Å; V48-T379 HydrophobicContact CG1-CG2 4.4Å; V48-L383 HydrophobicContact CG1-CD1 4.36Å; V48-L443 HydrophobicContact CG1-CD2 4.23Å; V48-L443 HydrophobicContact CG2-CD2 3.93Å; V48-F446 HydrophobicContact CG2-CD1 4Å; V48-F446 HydrophobicContact CG2-CE1 3.93Å
49G93.6Very high91.5Very high0 Ų059 Ų590%032%0.321CS..Hα-helixtrans-58.6-48173.800000112.1Y45 V46 A47 I51 A52 W53Y45-G49 PolarHBondContact O-N 2.92Å; V46-G49 PolarHBondContact O-N 3.35Å; V46-G49 VanDerWaalsContact O-N 3.15Å; A47-G49 VanDerWaalsContact C-N 3.32Å; A47-G49 PolarHBondContact O-N 3.4Å; G49-I51 PolarHBondContact O-N 3.01Å; G49-A52 WeakPolarHBondContact O-CB 3.46Å; G49-A52 PolarHBondContact O-N 3.44Å; G49-W53 WeakPolarHBondContact O-CB 3.49Å; G49-W53 PolarHBondContact O-N 3.16Å
50I93.5Very high90.7Very high90 Ų9057.2 Ų57.246%0.46231%0.309SS..Hα-helixtrans-58.6-50.2177.5-65.9166.4000110.7V46 A47 A52 W53 T54V46-I50 HydrophobicContact CG1-CD1 4.07Å; V46-I50 WeakPolarHBondContact O-CG1 3.47Å; V46-I50 PolarHBondContact O-N 2.85Å; A47-I50 PolarHBondContact O-N 2.61Å; I50-A52 VanDerWaalsContact C-N 3.32Å; I50-A52 PolarHBondContact O-N 2.76Å; I50-W53 PolarHBondContact O-N 2.9Å; I50-W53 VanDerWaalsContact O-N 3.16Å; I50-T54 HydrophobicContact CG2-CG2 4.36Å; I50-T54 WeakPolarHBondContact O-CG2 3.29Å; I50-T54 PolarHBondContact O-N 3.19Å; I50-T54 PolarHBondContact O-OG1 2.7Å
51I90.5Very high89.7Confident71 Ų7156.1 Ų56.136%0.36431%0.307SS..Hα-helixtrans-60.4-43.3179-65166.5000110.9A47 V48 G49 W53 T54 H55 Y436A47-I51 WeakPolarHBondContact O-CG1 3.05Å; A47-I51 PolarHBondContact O-N 2.85Å; V48-I51 PolarHBondContact O-N 2.67Å; G49-I51 PolarHBondContact O-N 3.01Å; I51-W53 VanDerWaalsContact C-N 3.31Å; I51-W53 PolarHBondContact O-N 3.18Å; I51-T54 WeakPolarHBondContact CA-OG1 3.2Å; I51-T54 PolarHBondContact O-N 2.93Å; I51-T54 PolarHBondContact O-OG1 3.38Å; I51-H55 PolarHBondContact O-CD2 3.06Å; I51-H55 VanDerWaalsContact O-CD2 3.29Å; I51-H55 PolarHBondContact O-N 3.48Å; I51-Y436 HydrophobicContact CG2-CD2 4.01Å; I51-Y436 HydrophobicContact CG2-CE2 3.51Å
52A89.9Confident88.7Confident0 Ų060.7 Ų60.70%033%0.328CS..Hα-helixtrans-60.6-43.4176.900000111.1V48 G49 I50 G56 T379 F382 L383V48-A52 VanDerWaalsContact O-CB 3.29Å; V48-A52 WeakPolarHBondContact O-CB 3.48Å; V48-A52 PolarHBondContact O-N 3Å; G49-A52 WeakPolarHBondContact O-CB 3.46Å; G49-A52 PolarHBondContact O-N 3.44Å; I50-A52 VanDerWaalsContact C-N 3.32Å; I50-A52 PolarHBondContact O-N 2.76Å; A52-G56 VanDerWaalsContact O-CA 3.29Å; A52-G56 WeakPolarHBondContact O-CA 3.29Å; A52-G56 PolarHBondContact O-N 3.24Å; A52-T379 HydrophobicContact CB-CG2 4.18Å; A52-F382 HydrophobicContact CB-CB 4.06Å; A52-F382 WeakPolarHBondContact O-CB 3.27Å; A52-L383 HydrophobicContact CB-CD2 3.71Å; A52-L383 HydrophobicContact CB-CG 3.66Å
53W90.2Very high88Confident110 Ų11060.5 Ų60.542%0.41732%0.324SS..Hα-helixtrans-73.4-27-178.3-59.8-22.3000113.8G49 I50 I51 Y375 F382G49-W53 WeakPolarHBondContact O-CB 3.49Å; G49-W53 PolarHBondContact O-N 3.16Å; I50-W53 PolarHBondContact O-N 2.9Å; I50-W53 VanDerWaalsContact O-N 3.16Å; I51-W53 VanDerWaalsContact C-N 3.31Å; I51-W53 PolarHBondContact O-N 3.18Å; W53-Y375 HydrophobicContact CH2-CD2 4.27Å; W53-Y375 AromaticContact CH2-CE2 3.64Å; W53-Y375 HydrophobicContact CH2-CE2 3.64Å; W53-Y375 HydrophobicContact CZ2-CD2 4.35Å; W53-Y375 AromaticContact CZ2-CE2 3.93Å; W53-Y375 HydrophobicContact CZ2-CE2 3.93Å; W53-F382 HydrophobicContact CB-CD1 4.34Å; W53-F382 HydrophobicContact CB-CE1 4.4Å; W53-F382 AromaticContact CD1-CD1 3.77Å; W53-F382 AromaticContact CD1-CD2 3.67Å; W53-F382 AromaticContact CD1-CG 3.48Å; W53-F382 VanDerWaalsContact CD1-CG 3.48Å; W53-F382 HydrophobicContact CG-CD1 4.43Å
54T89.5Confident87.3Confident97 Ų9756 Ų5660%0.59530%0.297SS*.Hα-helixtrans-77.1-34.1175.854.90000112.8I50 I51I50-T54 HydrophobicContact CG2-CG2 4.36Å; I50-T54 WeakPolarHBondContact O-CG2 3.29Å; I50-T54 PolarHBondContact O-N 3.19Å; I50-T54 PolarHBondContact O-OG1 2.7Å; I51-T54 WeakPolarHBondContact CA-OG1 3.2Å; I51-T54 PolarHBondContact O-N 2.93Å; I51-T54 PolarHBondContact O-OG1 3.38Å
55H85.9Confident86.7Confident109 Ų10955.3 Ų55.351%0.50529%0.287SS..Hα-helixtrans-100.4-26-177.3-69.2-74.1000114.2I51 Y436I51-H55 PolarHBondContact O-CD2 3.06Å; I51-H55 VanDerWaalsContact O-CD2 3.29Å; I51-H55 PolarHBondContact O-N 3.48Å; H55-Y436 HydrophobicContact CB-CE1 4.38Å
56G84.8Confident86.2Confident10 Ų1055 Ų5510%0.10329%0.286CS..  trans-79.8142-179.500000112A52 F382A52-G56 VanDerWaalsContact O-CA 3.29Å; A52-G56 WeakPolarHBondContact O-CA 3.29Å; A52-G56 PolarHBondContact O-N 3.24Å; G56-F382 WeakPolarHBondContact CA-O 3.43Å; G56-F382 WeakPolarHBondContact O-CD1 3.27Å
57D84.6Confident85.6Confident28 Ų2852.3 Ų52.315%0.1527%0.27CS..  trans-119105.6170.4-171-17.8000109.4R59 K60 F71 T385D57-R59 PolarHBondContact O-N 3.18Å; D57-R59 VanDerWaalsContact O-N 3.08Å; D57-R59 WeakPolarHBondContact OD1-CB 3.39Å; D57-R59 VanDerWaalsContact OD1-CG 3.28Å; D57-R59 WeakPolarHBondContact OD1-CG 3.3Å; D57-R59 IonicContact OD1-CZ 2.76Å; D57-R59 PolarHBondContact OD1-N 3.04Å; D57-R59 IonicContact OD1-NE 2.66Å; D57-R59 PolarHBondContact OD1-NE 3.09Å; D57-R59 IonicContact OD1-NH2 3.28Å; D57-R59 IonicContact OD2-CZ 2.76Å; D57-R59 VanDerWaalsContact OD2-CZ 3.28Å; D57-R59 IonicContact OD2-NE 3.16Å; D57-R59 PolarHBondContact OD2-NE 3.05Å; D57-R59 IonicContact OD2-NH2 2.62Å; D57-R59 PolarHBondContact OD2-NH2 3.37Å; D57-K60 HydrophobicContact CB-CD 4.26Å; D57-K60 HydrophobicContact CB-CG 4.24Å; D57-K60 WeakPolarHBondContact O-CB 3.27Å; D57-K60 PolarHBondContact O-N 3.19Å; D57-F71 WeakPolarHBondContact OD2-CZ 3.35Å; D57-T385 PolarHBondContact N-OG1 3.27Å; D57-T385 VanDerWaalsContact O-CB 3.27Å; D57-T385 WeakPolarHBondContact O-CB 3.19Å; D57-T385 PolarHBondContact O-OG1 2.88Å
58P82.3Confident84.9Confident50 Ų5056 Ų5633%0.32528%0.275SS..THydrogen-bonded Turntrans-64.8-18.2-176.529.3-35.5000111.8K60 V61 V381 F382P58-K60 PolarHBondContact O-N 3.03Å; P58-V61 WeakPolarHBondContact O-CB 3.3Å; P58-V61 PolarHBondContact O-N 2.96Å; P58-V61 VanDerWaalsContact O-N 3.11Å; P58-V381 HydrophobicContact CB-CG1 4.41Å; P58-F382 HydrophobicContact CB-CE1 4.46Å; P58-F382 HydrophobicContact CB-CE2 4.04Å; P58-F382 HydrophobicContact CB-CZ 4.02Å; P58-F382 VanDerWaalsContact CD-CE1 3.46Å; P58-F382 HydrophobicContact CG-CE1 3.89Å; P58-F382 HydrophobicContact CG-CE2 4.08Å; P58-F382 HydrophobicContact CG-CZ 3.55Å
59R82.6Confident84.1Confident115 Ų11557 Ų5743%0.43429%0.288SS..Hα-helixtrans-62.5-28.7175.9-61.4176-69.8-173.83.1111.9D57 V61 I62 Y63 F71D57-R59 PolarHBondContact O-N 3.18Å; D57-R59 VanDerWaalsContact O-N 3.08Å; D57-R59 WeakPolarHBondContact OD1-CB 3.39Å; D57-R59 VanDerWaalsContact OD1-CG 3.28Å; D57-R59 WeakPolarHBondContact OD1-CG 3.3Å; D57-R59 IonicContact OD1-CZ 2.76Å; D57-R59 PolarHBondContact OD1-N 3.04Å; D57-R59 IonicContact OD1-NE 2.66Å; D57-R59 PolarHBondContact OD1-NE 3.09Å; D57-R59 IonicContact OD1-NH2 3.28Å; D57-R59 IonicContact OD2-CZ 2.76Å; D57-R59 VanDerWaalsContact OD2-CZ 3.28Å; D57-R59 IonicContact OD2-NE 3.16Å; D57-R59 PolarHBondContact OD2-NE 3.05Å; D57-R59 IonicContact OD2-NH2 2.62Å; D57-R59 PolarHBondContact OD2-NH2 3.37Å; R59-V61 PolarHBondContact O-N 3.47Å; R59-V61 VanDerWaalsContact O-N 3.14Å; R59-I62 PolarHBondContact O-N 3.12Å; R59-Y63 HydrophobicContact CB-CD2 4.38Å; R59-Y63 PolarHBondContact O-N 3.11Å; R59-F71 HydrophobicContact CB-CE1 4.09Å; R59-F71 HydrophobicContact CB-CZ 4.11Å
60K78.9Confident83.8Confident65 Ų6559.6 Ų59.628%0.28330%0.3SS..Hα-helixtrans-62.7-17.2176.1-66.7176.3-179.8175.10113.4D57 P58 T65 F71 T385 N387D57-K60 HydrophobicContact CB-CD 4.26Å; D57-K60 HydrophobicContact CB-CG 4.24Å; D57-K60 WeakPolarHBondContact O-CB 3.27Å; D57-K60 PolarHBondContact O-N 3.19Å; P58-K60 PolarHBondContact O-N 3.03Å; K60-T65 HydrophobicContact CG-CG2 4.34Å; K60-F71 HydrophobicContact CB-CE1 4.43Å; K60-F71 HydrophobicContact CG-CE1 3.7Å; K60-F71 HydrophobicContact CG-CZ 3.96Å; K60-T385 HydrophobicContact CB-CG2 3.91Å; K60-T385 VanDerWaalsContact CD-O 3.3Å; K60-T385 WeakPolarHBondContact CD-O 3.45Å; K60-T385 PolarHBondContact NZ-O 2.91Å; K60-T385 VanDerWaalsContact NZ-O 3.11Å; K60-N387 PolarHBondContact NZ-O 3.3Å
61V74.9Confident83.5Confident92 Ų9256.3 Ų56.356%0.55828%0.282SS*.Hα-helixtrans-76.7-36.7171.6-176.50000111.7P58 R59 V381 T385P58-V61 WeakPolarHBondContact O-CB 3.3Å; P58-V61 PolarHBondContact O-N 2.96Å; P58-V61 VanDerWaalsContact O-N 3.11Å; R59-V61 PolarHBondContact O-N 3.47Å; R59-V61 VanDerWaalsContact O-N 3.14Å; V61-V381 HydrophobicContact CG2-CG1 3.69Å; V61-T385 HydrophobicContact CG2-CG2 3.5Å; V61-T385 VanDerWaalsContact CG2-CG2 3.5Å
62I75.6Confident83.4Confident110 Ų11053 Ų5356%0.56427%0.265SS*.Hα-helixtrans-91.1-43.1-172.9-57.7173.9000111R59R59-I62 PolarHBondContact O-N 3.12Å
63Y81.1Confident83.1Confident56 Ų5653.5 Ų53.522%0.2227%0.271CS..SBendtrans-108.9121.9-177.1-62.1-89000109.2R59 G73 Q74 R168R59-Y63 HydrophobicContact CB-CD2 4.38Å; R59-Y63 PolarHBondContact O-N 3.11Å; Y63-G73 WeakPolarHBondContact CE1-O 3.44Å; Y63-Q74 HydrophobicContact CD1-CB 3.9Å; Y63-Q74 HydrophobicContact CE1-CB 4.04Å; Y63-Q74 HydrophobicContact CG-CB 4.28Å; Y63-R168 VanDerWaalsContact CE1-CZ 3.42Å
64P80.9Confident82.9Confident5 Ų549.6 Ų49.63%0.03226%0.257CS..  trans-68.7150172.527.3-28.8000110.4C72 L85 R168P64-C72 HydrophobicContact CG-CB 4.16Å; P64-C72 PolarHBondContact O-N 2.71Å; P64-L85 HydrophobicContact CB-CB 3.74Å; P64-L85 HydrophobicContact CB-CD1 4.47Å; P64-L85 HydrophobicContact CB-CD2 3.72Å; P64-L85 HydrophobicContact CB-CG 4.18Å; P64-L85 HydrophobicContact CG-CB 3.81Å; P64-R168 HydrophobicContact CG-CB 3.91Å; P64-R168 WeakPolarHBondContact CG-O 3.33Å
65T82.1Confident82.6Confident17 Ų1753.3 Ų53.310%0.10427%0.265CS..BIsolated β-bridgetrans-109138.3177.449.30000110.6K60 E70 F71 L85 Y430K60-T65 HydrophobicContact CG-CG2 4.34Å; T65-E70 CarbonylContact C-O 3.31Å; T65-E70 WeakPolarHBondContact CA-O 3.48Å; T65-F71 HydrophobicContact CG2-CD1 3.46Å; T65-F71 VanDerWaalsContact CG2-CD1 3.46Å; T65-F71 HydrophobicContact CG2-CE1 3.56Å; T65-F71 HydrophobicContact CG2-CG 4.18Å; T65-F71 HydrophobicContact CG2-CZ 4.34Å; T65-L85 WeakPolarHBondContact O-CD1 3.5Å; T65-Y430 WeakPolarHBondContact CB-OH 3.46Å; T65-Y430 PolarHBondContact O-OH 2.97Å; T65-Y430 PolarHBondContact OG1-OH 3.01Å
66D86.4Confident82.4Confident2 Ų251.6 Ų51.61%0.01128%0.277CS..  trans-68.7173.5172.877.5-1.8000111.4R68 G69 E70 Q108 Y430D66-R68 PolarHBondContact O-N 3.13Å; D66-R68 VanDerWaalsContact OD1-CA 3.25Å; D66-R68 WeakPolarHBondContact OD1-CA 3.5Å; D66-R68 WeakPolarHBondContact OD1-CB 3.47Å; D66-R68 PolarHBondContact OD1-N 3.41Å; D66-R68 IonicContact OD2-CZ 3.83Å; D66-R68 IonicContact OD2-NE 2.7Å; D66-R68 PolarHBondContact OD2-NE 2.95Å; D66-R68 IonicContact OD2-NH2 2.9Å; D66-R68 PolarHBondContact OD2-NH2 3.23Å; D66-R68 VanDerWaalsContact OD2-NH2 3.08Å; D66-G69 PolarHBondContact O-N 3.17Å; D66-G69 PolarHBondContact OD1-N 3.17Å; D66-G69 VanDerWaalsContact OD1-N 3.12Å; D66-E70 PolarHBondContact N-O 3.4Å; D66-E70 WeakPolarHBondContact OD1-CB 3.49Å; D66-E70 PolarHBondContact OD1-N 3.26Å; D66-Q108 WeakPolarHBondContact CB-O 2.99Å; D66-Y430 PolarHBondContact O-OH 2.69Å
67S82.8Confident82.5Confident12 Ų1252.7 Ų52.78%0.08428%0.282CS..THydrogen-bonded Turntrans-64.3-1.2176.9-76.80000114.2P107 Q108 Y391 F427S67-P107 WeakPolarHBondContact OG-CA 3.22Å; S67-Q108 PolarHBondContact N-O 3.44Å; S67-Q108 PolarHBondContact OG-N 3.41Å; S67-Y391 WeakPolarHBondContact O-CE1 3.41Å; S67-Y391 VanDerWaalsContact O-CZ 3.28Å; S67-Y391 PolarHBondContact O-OH 3.01Å; S67-F427 WeakPolarHBondContact OG-CD1 3.24Å
68R79Confident82.4Confident122 Ų12259.5 Ų59.546%0.4631%0.31SS..THydrogen-bonded Turntrans-1043.5171.9-64.9175.3-60170.413.7113D66 E70 Y391D66-R68 PolarHBondContact O-N 3.13Å; D66-R68 VanDerWaalsContact OD1-CA 3.25Å; D66-R68 WeakPolarHBondContact OD1-CA 3.5Å; D66-R68 WeakPolarHBondContact OD1-CB 3.47Å; D66-R68 PolarHBondContact OD1-N 3.41Å; D66-R68 IonicContact OD2-CZ 3.83Å; D66-R68 IonicContact OD2-NE 2.7Å; D66-R68 PolarHBondContact OD2-NE 2.95Å; D66-R68 IonicContact OD2-NH2 2.9Å; D66-R68 PolarHBondContact OD2-NH2 3.23Å; D66-R68 VanDerWaalsContact OD2-NH2 3.08Å; R68-E70 VanDerWaalsContact C-N 3.28Å; R68-E70 HydrophobicContact CB-CG 4.37Å; R68-Y391 VanDerWaalsContact CA-OH 3.25Å; R68-Y391 WeakPolarHBondContact CA-OH 3.45Å
69G78Confident82.6Confident36 Ų3657.8 Ų57.837%0.37130%0.298SS..SBendtrans78.88.3-177.800000114.1D66D66-G69 PolarHBondContact O-N 3.17Å; D66-G69 PolarHBondContact OD1-N 3.17Å; D66-G69 VanDerWaalsContact OD1-N 3.12Å
70E85.8Confident82.8Confident54 Ų5456.2 Ų56.225%0.25230%0.296SS..PPolyproline II helixtrans-86134.5-178.8-62.4-83.6-164.600110.5T65 D66 R68 K78T65-E70 CarbonylContact C-O 3.31Å; T65-E70 WeakPolarHBondContact CA-O 3.48Å; D66-E70 PolarHBondContact N-O 3.4Å; D66-E70 WeakPolarHBondContact OD1-CB 3.49Å; D66-E70 PolarHBondContact OD1-N 3.26Å; R68-E70 VanDerWaalsContact C-N 3.28Å; R68-E70 HydrophobicContact CB-CG 4.37Å; E70-K78 IonicContact OE1-NZ 3.89Å; E70-K78 PolarHBondContact OE1-NZ 3.15Å
71F87.5Confident83.3Confident22 Ų2259.3 Ų59.310%0.09632%0.315CS..BIsolated β-bridgetrans-73.6132.6-178.2-66.8-74.4000113D57 R59 K60 T65 Q74 T77 N79D57-F71 WeakPolarHBondContact OD2-CZ 3.35Å; R59-F71 HydrophobicContact CB-CE1 4.09Å; R59-F71 HydrophobicContact CB-CZ 4.11Å; K60-F71 HydrophobicContact CB-CE1 4.43Å; K60-F71 HydrophobicContact CG-CE1 3.7Å; K60-F71 HydrophobicContact CG-CZ 3.96Å; T65-F71 HydrophobicContact CG2-CD1 3.46Å; T65-F71 VanDerWaalsContact CG2-CD1 3.46Å; T65-F71 HydrophobicContact CG2-CE1 3.56Å; T65-F71 HydrophobicContact CG2-CG 4.18Å; T65-F71 HydrophobicContact CG2-CZ 4.34Å; F71-Q74 HydrophobicContact CB-CB 3.87Å; F71-T77 HydrophobicContact CB-CG2 4.43Å; F71-T77 PolarHBondContact O-OG1 2.97Å; F71-N79 WeakPolarHBondContact O-CB 3.38Å
72C87.9Confident84Confident0 Ų058.6 Ų58.60%030%0.304CS..THydrogen-bonded Turntrans-83.9121.3174.2-530000111.9P64 Q74 K82 C110P64-C72 HydrophobicContact CG-CB 4.16Å; P64-C72 PolarHBondContact O-N 2.71Å; C72-Q74 VanDerWaalsContact C-N 3.34Å; C72-Q74 PolarHBondContact O-N 2.66Å; C72-K82 CarbonylContact C-O 3.56Å; C72-K82 WeakPolarHBondContact CA-O 3.44Å; C72-K82 WeakPolarHBondContact CB-O 3.39Å; C72-C110 WeakPolarHBondContact CA-SG 3.49Å; C72-C110 HydrophobicContact CB-CB 3.76Å; C72-C110 WeakPolarHBondContact CB-SG 3.35Å; C72-C110 VanDerWaalsContact SG-CA 3.53Å; C72-C110 WeakPolarHBondContact SG-CB 3.09Å; C72-C110 CovalentContact SG-SG 2.03Å; C72-C110 PolarHBondContact SG-SG 2.95Å
73G84.1Confident84.6Confident12 Ų1255 Ų5512%0.12429%0.289CS..THydrogen-bonded Turntrans70.924.4173.300000115.5Y63 N79 E80 K82 R168Y63-G73 WeakPolarHBondContact CE1-O 3.44Å; G73-N79 PolarHBondContact N-O 3.49Å; G73-E80 WeakPolarHBondContact CA-O 3.41Å; G73-K82 PolarHBondContact N-O 3.41Å; G73-K82 VanDerWaalsContact N-O 3.12Å; G73-R168 PolarHBondContact O-NH1 3.3Å
74Q86.8Confident85Confident27 Ų2755.8 Ų55.813%0.12629%0.291CS..  trans-91.8134.8169.7-178.9177.2-20.700109.1Y63 F71 C72 G76 T77 E80Y63-Q74 HydrophobicContact CD1-CB 3.9Å; Y63-Q74 HydrophobicContact CE1-CB 4.04Å; Y63-Q74 HydrophobicContact CG-CB 4.28Å; F71-Q74 HydrophobicContact CB-CB 3.87Å; C72-Q74 VanDerWaalsContact C-N 3.34Å; C72-Q74 PolarHBondContact O-N 2.66Å; Q74-G76 PolarHBondContact O-N 3.02Å; Q74-T77 HydrophobicContact CB-CG2 3.99Å; Q74-T77 HydrophobicContact CG-CG2 4.06Å; Q74-T77 PolarHBondContact O-N 2.84Å; Q74-T77 PolarHBondContact O-OG1 3.15Å; Q74-T77 VanDerWaalsContact O-OG1 3.07Å; Q74-E80 WeakPolarHBondContact O-CA 3.39Å
75K83.6Confident85.3Confident176 Ų17655.5 Ų55.577%0.76529%0.29SS*.THydrogen-bonded Turntrans-63.9135.5178.2-63-167.8173.7-174.20111.2E80K75-E80 WeakPolarHBondContact CG-OE1 3.12Å
76G81.4Confident85.6Confident73 Ų7355.2 Ų55.275%0.75329%0.287SS*.THydrogen-bonded Turntrans80.610.318000000115.5Q74 E80Q74-G76 PolarHBondContact O-N 3.02Å; G76-E80 PolarHBondContact N-OE2 2.8Å
77T85.5Confident85.6Confident33 Ų3356.5 Ų56.520%0.20229%0.292CS..SBendtrans-106.7163.9170.872.20000111.3F71 Q74 N79 E80F71-T77 HydrophobicContact CB-CG2 4.43Å; F71-T77 PolarHBondContact O-OG1 2.97Å; Q74-T77 HydrophobicContact CB-CG2 3.99Å; Q74-T77 HydrophobicContact CG-CG2 4.06Å; Q74-T77 PolarHBondContact O-N 2.84Å; Q74-T77 PolarHBondContact O-OG1 3.15Å; Q74-T77 VanDerWaalsContact O-OG1 3.07Å; T77-N79 PolarHBondContact O-N 3.11Å; T77-E80 PolarHBondContact O-N 3.24Å; T77-E80 VanDerWaalsContact O-N 3.15Å
78K84.1Confident85.7Confident170 Ų17056.7 Ų56.774%0.73929%0.291SS*.THydrogen-bonded Turntrans-55.9-26.5179-67.6174.6-171.4151.30113.5E70E70-K78 IonicContact OE1-NZ 3.89Å; E70-K78 PolarHBondContact OE1-NZ 3.15Å
79N86.5Confident85.6Confident14 Ų1453.6 Ų53.68%0.07528%0.284CS..THydrogen-bonded Turntrans-107.728-176.3-67.4-38.9000112.6F71 G73 T77 N81 K82 C110F71-N79 WeakPolarHBondContact O-CB 3.38Å; G73-N79 PolarHBondContact N-O 3.49Å; T77-N79 PolarHBondContact O-N 3.11Å; N79-N81 VanDerWaalsContact C-N 3.29Å; N79-N81 PolarHBondContact O-N 3.24Å; N79-K82 HydrophobicContact CB-CB 4.32Å; N79-K82 CarbonylContact O-C 3.35Å; N79-K82 PolarHBondContact O-N 3.08Å; N79-C110 HydrophobicContact CB-CB 3.94Å; N79-C110 PolarHBondContact ND2-SG 3.02Å; N79-C110 VanDerWaalsContact ND2-SG 3.36Å
80E86.7Confident85.3Confident83 Ų8353.6 Ų53.639%0.38828%0.275SS..THydrogen-bonded Turntrans-54.4-42.9179.1177.8165.3-174.300112.9G73 Q74 K75 G76 T77 K82G73-E80 WeakPolarHBondContact CA-O 3.41Å; Q74-E80 WeakPolarHBondContact O-CA 3.39Å; K75-E80 WeakPolarHBondContact CG-OE1 3.12Å; G76-E80 PolarHBondContact N-OE2 2.8Å; T77-E80 PolarHBondContact O-N 3.24Å; T77-E80 VanDerWaalsContact O-N 3.15Å; E80-K82 PolarHBondContact O-N 3.4Å
81N88.8Confident84.6Confident129 Ų12952.8 Ų52.869%0.6927%0.274SS*.THydrogen-bonded Turntrans-81.51.2179.4-63.2-25.5000113.6N79 P83N79-N81 VanDerWaalsContact C-N 3.29Å; N79-N81 PolarHBondContact O-N 3.24Å; N81-P83 WeakPolarHBondContact O-CD 3.43Å
82K90.4Very high83.7Confident77 Ų7757.8 Ų57.834%0.33530%0.295SS..  trans-120.280.7-176.6-63.4-170.7-178.2-1740110.4C72 G73 N79 E80 Y84 C110 V111 E112C72-K82 CarbonylContact C-O 3.56Å; C72-K82 WeakPolarHBondContact CA-O 3.44Å; C72-K82 WeakPolarHBondContact CB-O 3.39Å; G73-K82 PolarHBondContact N-O 3.41Å; G73-K82 VanDerWaalsContact N-O 3.12Å; N79-K82 HydrophobicContact CB-CB 4.32Å; N79-K82 CarbonylContact O-C 3.35Å; N79-K82 PolarHBondContact O-N 3.08Å; E80-K82 PolarHBondContact O-N 3.4Å; K82-Y84 PolarHBondContact O-N 2.96Å; K82-C110 HydrophobicContact CB-CB 3.81Å; K82-C110 WeakPolarHBondContact CD-O 3.26Å; K82-V111 CarbonylContact C-O 3.04Å; K82-V111 WeakPolarHBondContact CA-O 3.18Å; K82-E112 HydrophobicContact CG-CB 4.5Å
83P88.5Confident82.7Confident36 Ų3659 Ų5923%0.23430%0.303CS..  trans-82-9-16933.1-36.4000115.2N81 R168N81-P83 WeakPolarHBondContact O-CD 3.43Å; P83-R168 WeakPolarHBondContact O-CB 3.4Å
84Y88.9Confident81.5Confident71 Ų7160.6 Ų60.628%0.27832%0.316SS..EExtended strand (participates in β ladder)trans-109.1135.5-174.7-54.1-65.3000112.1K82 C110 V111 E112 P165 R168K82-Y84 PolarHBondContact O-N 2.96Å; Y84-C110 CarbonylContact O-C 3.58Å; Y84-C110 WeakPolarHBondContact O-CA 3.44Å; Y84-V111 PolarHBondContact N-O 3.12Å; Y84-V111 VanDerWaalsContact N-O 3.1Å; Y84-V111 PolarHBondContact O-N 2.88Å; Y84-E112 WeakPolarHBondContact CD2-O 3.42Å; Y84-E112 WeakPolarHBondContact CE2-O 3.39Å; Y84-P165 HydrophobicContact CD1-CB 3.53Å; Y84-P165 HydrophobicContact CE1-CB 3.26Å; Y84-P165 HydrophobicContact CE1-CG 4.13Å; Y84-P165 HydrophobicContact CE2-CB 4.49Å; Y84-P165 HydrophobicContact CG-CB 4.28Å; Y84-R168 CarbonylContact C-O 3.17Å; Y84-R168 WeakPolarHBondContact CA-O 3.47Å
85L87.6Confident80Confident0 Ų061.5 Ų61.50%033%0.325CS..EExtended strand (participates in β ladder)trans-89.5125.3172.1-173.776.5000110.4P64 T65 Y87 Q108 R168 R169 C170P64-L85 HydrophobicContact CB-CB 3.74Å; P64-L85 HydrophobicContact CB-CD1 4.47Å; P64-L85 HydrophobicContact CB-CD2 3.72Å; P64-L85 HydrophobicContact CB-CG 4.18Å; P64-L85 HydrophobicContact CG-CB 3.81Å; T65-L85 WeakPolarHBondContact O-CD1 3.5Å; L85-Y87 HydrophobicContact CD2-CE2 4.46Å; L85-Q108 HydrophobicContact CD1-CB 3.92Å; L85-Q108 HydrophobicContact CG-CB 4.36Å; L85-R168 PolarHBondContact N-O 3.44Å; L85-R169 HydrophobicContact CB-CG 4.23Å; L85-R169 HydrophobicContact CD2-CG 4.46Å; L85-R169 VanDerWaalsContact CD2-NH1 3.31Å; L85-R169 CarbonylContact O-C 3.54Å; L85-R169 WeakPolarHBondContact O-CA 3.17Å; L85-C170 PolarHBondContact O-N 3.33Å
86F88.4Confident78Confident10 Ų1058 Ų584%0.04432%0.321CS..EExtended strand (participates in β ladder)trans-109.8136.9177.7175.1-106.5000111F88 Q108 I109 V111 P115 F136 P157 L160 C170F86-F88 HydrophobicContact CD1-CD1 4.2Å; F86-F88 HydrophobicContact CD1-CE1 4.45Å; F86-F88 HydrophobicContact CE1-CD1 4.08Å; F86-F88 HydrophobicContact CE1-CE1 4.5Å; F86-Q108 VanDerWaalsContact O-CA 3.29Å; F86-Q108 WeakPolarHBondContact O-CA 3.3Å; F86-I109 HydrophobicContact CB-CG1 4.19Å; F86-I109 HydrophobicContact CD1-CD1 4.23Å; F86-I109 HydrophobicContact CD1-CG1 4.03Å; F86-I109 PolarHBondContact N-O 3.14Å; F86-I109 PolarHBondContact O-N 3.07Å; F86-V111 HydrophobicContact CB-CG1 3.91Å; F86-V111 HydrophobicContact CB-CG2 3.96Å; F86-P115 HydrophobicContact CD2-CG 4.25Å; F86-P115 HydrophobicContact CE2-CG 3.86Å; F86-F136 HydrophobicContact CD1-CB 4.42Å; F86-F136 HydrophobicContact CD1-CD1 4.23Å; F86-F136 HydrophobicContact CE1-CB 4.15Å; F86-F136 HydrophobicContact CE1-CD1 4.39Å; F86-F136 HydrophobicContact CG-CD1 4.31Å; F86-P157 HydrophobicContact CE1-CB 4.24Å; F86-P157 HydrophobicContact CE1-CG 4.05Å; F86-P157 HydrophobicContact CZ-CB 4.47Å; F86-P157 HydrophobicContact CZ-CG 4.46Å; F86-L160 HydrophobicContact CE1-CD2 4.17Å; F86-L160 HydrophobicContact CZ-CD2 3.7Å; F86-C170 HydrophobicContact CD2-CB 4.12Å
87Y85.5Confident76.1Confident30 Ų3060.4 Ų60.412%0.11832%0.315CS..EExtended strand (participates in β ladder)trans-101.4131.1177.5-62.6-90.7000110.2L85 N89 I90 Q108 R169L85-Y87 HydrophobicContact CD2-CE2 4.46Å; Y87-N89 VanDerWaalsContact C-N 3.25Å; Y87-N89 PolarHBondContact O-N 3.08Å; Y87-I90 HydrophobicContact CD2-CD1 4.3Å; Y87-I90 HydrophobicContact CD2-CG1 4.38Å; Y87-Q108 HydrophobicContact CD1-CG 3.51Å; Y87-Q108 HydrophobicContact CE1-CG 3.75Å; Y87-Q108 HydrophobicContact CG-CG 4.37Å; Y87-R169 HydrophobicContact CE2-CB 4.43Å; Y87-R169 PolarHBondContact OH-NH1 2.95Å
88F84.6Confident74.3Confident16 Ų1659.6 Ų59.67%0.0731%0.31CS..THydrogen-bonded Turntrans-64.3-33.2179-8431.2000112.6F86 P107 I109 F136 V138 G154 P157F86-F88 HydrophobicContact CD1-CD1 4.2Å; F86-F88 HydrophobicContact CD1-CE1 4.45Å; F86-F88 HydrophobicContact CE1-CD1 4.08Å; F86-F88 HydrophobicContact CE1-CE1 4.5Å; F88-P107 HydrophobicContact CB-CB 4.43Å; F88-P107 WeakPolarHBondContact CB-O 3.49Å; F88-P107 HydrophobicContact CD1-CB 4.27Å; F88-P107 WeakPolarHBondContact CD1-O 3.45Å; F88-P107 HydrophobicContact CD2-CB 3.86Å; F88-P107 HydrophobicContact CD2-CG 4.13Å; F88-P107 HydrophobicContact CE2-CB 4.17Å; F88-P107 HydrophobicContact CG-CB 3.92Å; F88-P107 HydrophobicContact CG-CG 4.46Å; F88-P107 PolarHBondContact N-O 3.37Å; F88-I109 HydrophobicContact CE1-CD1 3.92Å; F88-I109 HydrophobicContact CE1-CG1 3.92Å; F88-I109 HydrophobicContact CE1-CG2 3.83Å; F88-I109 HydrophobicContact CZ-CG2 4.28Å; F88-F136 WeakPolarHBondContact CE1-O 3.17Å; F88-V138 HydrophobicContact CE2-CG1 4.45Å; F88-V138 HydrophobicContact CZ-CG1 4.06Å; F88-G154 WeakPolarHBondContact CE2-O 3.46Å; F88-P157 HydrophobicContact CB-CB 4.36Å; F88-P157 HydrophobicContact CD2-CB 4.4Å; F88-P157 HydrophobicContact CG-CB 4.21Å
89N77.1Confident72.2Confident57 Ų5756.4 Ų56.431%0.30530%0.301SS..THydrogen-bonded Turntrans-14894.1171.8-172.5-31.9000110.4Y87 V91 K92 T106Y87-N89 VanDerWaalsContact C-N 3.25Å; Y87-N89 PolarHBondContact O-N 3.08Å; N89-V91 PolarHBondContact O-N 2.9Å; N89-V91 VanDerWaalsContact OD1-CB 3.31Å; N89-V91 WeakPolarHBondContact OD1-CB 3.35Å; N89-V91 PolarHBondContact OD1-N 3.32Å; N89-K92 HydrophobicContact CB-CD 4.47Å; N89-K92 HydrophobicContact CB-CG 4.45Å; N89-K92 PolarHBondContact O-N 3.36Å; N89-K92 PolarHBondContact OD1-N 3.02Å; N89-T106 HydrophobicContact CB-CG2 4.15Å; N89-T106 WeakPolarHBondContact O-CG2 3.46Å
90I72.6Confident69.7Low35 Ų3560.8 Ų60.818%0.17932%0.324CS..THydrogen-bonded Turntrans-65.1-21.5-179.3-160.4170.2000113.3Y87 C93 F171 P172Y87-I90 HydrophobicContact CD2-CD1 4.3Å; Y87-I90 HydrophobicContact CD2-CG1 4.38Å; I90-C93 VanDerWaalsContact O-CB 3.3Å; I90-C93 WeakPolarHBondContact O-CB 3.25Å; I90-C93 PolarHBondContact O-N 3.08Å; I90-F171 HydrophobicContact CD1-CD1 3.67Å; I90-F171 HydrophobicContact CD1-CE1 3.92Å; I90-F171 HydrophobicContact CD1-CG 4.37Å; I90-P172 HydrophobicContact CG2-CG 3.87Å
91V69.9Low67.5Low37 Ų3762.3 Ų62.322%0.22433%0.331CS..THydrogen-bonded Turntrans-70.3-37.7-178.8-168.50000111.2N89 C93 A94 L202N89-V91 PolarHBondContact O-N 2.9Å; N89-V91 VanDerWaalsContact OD1-CB 3.31Å; N89-V91 WeakPolarHBondContact OD1-CB 3.35Å; N89-V91 PolarHBondContact OD1-N 3.32Å; V91-C93 PolarHBondContact O-N 2.99Å; V91-A94 WeakPolarHBondContact O-CB 3.49Å; V91-A94 PolarHBondContact O-N 3.47Å; V91-L202 HydrophobicContact CG2-CD1 3.28Å; V91-L202 HydrophobicContact CG2-CG 4.43Å
92K69.6Low65.6Low127 Ų12764.5 Ų64.555%0.55233%0.334SS*.G310 helixtrans-62.9-28.8173.6-71.5-173.8176.6-175.90112.1N89 A94 S95 T106N89-K92 HydrophobicContact CB-CD 4.47Å; N89-K92 HydrophobicContact CB-CG 4.45Å; N89-K92 PolarHBondContact O-N 3.36Å; N89-K92 PolarHBondContact OD1-N 3.02Å; K92-A94 PolarHBondContact O-N 2.67Å; K92-S95 PolarHBondContact O-OG 2.52Å; K92-T106 HydrophobicContact CB-CG2 3.79Å; K92-T106 HydrophobicContact CD-CG2 4.18Å
93C66.6Low64.1Low25 Ų2562.9 Ų62.917%0.16933%0.328CS..G310 helixtrans-71.9-15.5174-53.50000113.9I90 V91 V98 C104I90-C93 VanDerWaalsContact O-CB 3.3Å; I90-C93 WeakPolarHBondContact O-CB 3.25Å; I90-C93 PolarHBondContact O-N 3.08Å; V91-C93 PolarHBondContact O-N 2.99Å; C93-V98 WeakPolarHBondContact O-CG1 3.5Å; C93-C104 WeakPolarHBondContact CA-SG 3.26Å; C93-C104 HydrophobicContact CB-CB 3.75Å; C93-C104 WeakPolarHBondContact CB-SG 3.35Å; C93-C104 WeakPolarHBondContact SG-CB 3.34Å; C93-C104 CovalentContact SG-SG 2.01Å; C93-C104 PolarHBondContact SG-SG 3.37Å
94A58.2Low63Low46 Ų4662.2 Ų62.238%0.3832%0.324SS..G310 helixtrans-91.2-2.5-175.500000113.7V91 K92V91-A94 WeakPolarHBondContact O-CB 3.49Å; V91-A94 PolarHBondContact O-N 3.47Å; K92-A94 PolarHBondContact O-N 2.67Å
95S55.3Low62Low47 Ų4762.2 Ų62.233%0.32933%0.333SS..SBendtrans-69.1144.7-177.669.60000112.6K92 L97 V98 L99K92-S95 PolarHBondContact O-OG 2.52Å; S95-L97 PolarHBondContact O-N 2.94Å; S95-V98 PolarHBondContact O-N 3.12Å; S95-V98 VanDerWaalsContact O-N 3.12Å; S95-V98 VanDerWaalsContact OG-CG2 3.24Å; S95-V98 WeakPolarHBondContact OG-CG2 3.32Å; S95-L99 PolarHBondContact O-N 3.35Å
96P41.5Very low61.5Low103 Ų10362.4 Ų62.467%0.66933%0.334SS*.THydrogen-bonded Turntrans-58.1-30-179.6-25.733.7000114.5L99 L100P96-L99 PolarHBondContact O-N 3.46Å; P96-L100 PolarHBondContact O-N 3.47Å
97L41.2Very low61.2Low122 Ų12263.9 Ų63.964%0.63934%0.344SS*.THydrogen-bonded Turntrans-68.2-41177.2-125.881.3000111.9S95 L99 L100 E101S95-L97 PolarHBondContact O-N 2.94Å; L97-L99 VanDerWaalsContact C-N 3.28Å; L97-L99 PolarHBondContact O-N 2.84Å; L97-L100 WeakPolarHBondContact O-CB 3.17Å; L97-L100 PolarHBondContact O-N 3.24Å; L97-E101 PolarHBondContact O-N 3Å
98V47.8Very low61.3Low17 Ų1763 Ų6310%0.10334%0.342CS..Hα-helixtrans-66.1-30.2177.9160.40000112.1C93 S95 L100 F102 Q103 C104 P105C93-V98 WeakPolarHBondContact O-CG1 3.5Å; S95-V98 PolarHBondContact O-N 3.12Å; S95-V98 VanDerWaalsContact O-N 3.12Å; S95-V98 VanDerWaalsContact OG-CG2 3.24Å; S95-V98 WeakPolarHBondContact OG-CG2 3.32Å; V98-L100 VanDerWaalsContact C-N 3.31Å; V98-F102 PolarHBondContact O-N 2.81Å; V98-Q103 WeakPolarHBondContact CG1-O 3.47Å; V98-Q103 PolarHBondContact O-N 3.07Å; V98-C104 HydrophobicContact CG1-CB 4.42Å; V98-P105 HydrophobicContact CG2-CG 4.2Å
99L39.9Very low61.6Low103 Ų10362.7 Ų62.754%0.53934%0.34SS..Hα-helixtrans-75-14.8172.9-71.8168.8000114.1S95 P96 L97 R526S95-L99 PolarHBondContact O-N 3.35Å; P96-L99 PolarHBondContact O-N 3.46Å; L97-L99 VanDerWaalsContact C-N 3.28Å; L97-L99 PolarHBondContact O-N 2.84Å; L99-R526 PolarHBondContact O-NH1 3.43Å; L99-R526 PolarHBondContact O-NH2 3.47Å; L99-R526 VanDerWaalsContact O-NH2 3.15Å
100L34.9Very low62.2Low105 Ų10560.2 Ų60.255%0.5533%0.328SS..Hα-helixtrans-85.1-34.3173-80.3152.3000111.2P96 L97 V98P96-L100 PolarHBondContact O-N 3.47Å; L97-L100 WeakPolarHBondContact O-CB 3.17Å; L97-L100 PolarHBondContact O-N 3.24Å; V98-L100 VanDerWaalsContact C-N 3.31Å
101E41.1Very low63.1Low115 Ų11558.8 Ų58.854%0.53732%0.321SS..Hα-helixtrans-93.1-11.4-178.4-65.5-179.2164.700113.7L97 Q103L97-E101 PolarHBondContact O-N 3Å; E101-Q103 HydrophobicContact CB-CB 4.11Å; E101-Q103 HydrophobicContact CB-CG 4.28Å; E101-Q103 VanDerWaalsContact O-CG 3.26Å; E101-Q103 WeakPolarHBondContact O-CG 3.26Å; E101-Q103 PolarHBondContact O-N 3.37Å
102F47.6Very low64.1Low175 Ų17563.7 Ų63.777%0.76834%0.341SS*.THydrogen-bonded Turntrans58.229-170.8-65.4-87000113.3V98V98-F102 PolarHBondContact O-N 2.81Å
103Q58.3Low65.1Low43 Ų4364.1 Ų64.120%0.20134%0.343CS..  trans-131.1112.3-167.9-72.8168.819.200110.3V98 E101 P105 F429V98-Q103 WeakPolarHBondContact CG1-O 3.47Å; V98-Q103 PolarHBondContact O-N 3.07Å; E101-Q103 HydrophobicContact CB-CB 4.11Å; E101-Q103 HydrophobicContact CB-CG 4.28Å; E101-Q103 VanDerWaalsContact O-CG 3.26Å; E101-Q103 WeakPolarHBondContact O-CG 3.26Å; E101-Q103 PolarHBondContact O-N 3.37Å; Q103-P105 WeakPolarHBondContact O-CD 3.32Å; Q103-F429 HydrophobicContact CB-CB 3.75Å; Q103-F429 HydrophobicContact CG-CB 3.69Å; Q103-F429 HydrophobicContact CG-CD2 4.15Å; Q103-F429 HydrophobicContact CG-CG 4.21Å; Q103-F429 VanDerWaalsContact OE1-CD2 3.22Å
104C66.1Low66.2Low23 Ų2363.2 Ų63.216%0.15534%0.337CS..  trans-88.3117.3170.3-175.40000111.1C93 V98 T106C93-C104 WeakPolarHBondContact CA-SG 3.26Å; C93-C104 HydrophobicContact CB-CB 3.75Å; C93-C104 WeakPolarHBondContact CB-SG 3.35Å; C93-C104 WeakPolarHBondContact SG-CB 3.34Å; C93-C104 CovalentContact SG-SG 2.01Å; C93-C104 PolarHBondContact SG-SG 3.37Å; V98-C104 HydrophobicContact CG1-CB 4.42Å; C104-T106 PolarHBondContact O-N 3.21Å; C104-T106 PolarHBondContact SG-OG1 3.31Å
105P69.1Low67.8Low71 Ų7161 Ų6146%0.46132%0.319SS..  trans-84.655.4-179.236.8-37000110.7V98 Q103V98-P105 HydrophobicContact CG2-CG 4.2Å; Q103-P105 WeakPolarHBondContact O-CD 3.32Å
106T76.2Confident69.3Low4 Ų462.5 Ų62.53%0.02532%0.323CS..SBendtrans-134.3144.117361.30000111.8N89 K92 C104 Q108N89-T106 HydrophobicContact CB-CG2 4.15Å; N89-T106 WeakPolarHBondContact O-CG2 3.46Å; K92-T106 HydrophobicContact CB-CG2 3.79Å; K92-T106 HydrophobicContact CD-CG2 4.18Å; C104-T106 PolarHBondContact O-N 3.21Å; C104-T106 PolarHBondContact SG-OG1 3.31Å; T106-Q108 PolarHBondContact O-N 2.89Å; T106-Q108 PolarHBondContact O-NE2 3.34Å
107P82.7Confident71.3Confident40 Ų4062.8 Ų62.826%0.2631%0.311SS..  trans-57.5137.3170.2-23.733.6000111.3S67 F88S67-P107 WeakPolarHBondContact OG-CA 3.22Å; F88-P107 HydrophobicContact CB-CB 4.43Å; F88-P107 WeakPolarHBondContact CB-O 3.49Å; F88-P107 HydrophobicContact CD1-CB 4.27Å; F88-P107 WeakPolarHBondContact CD1-O 3.45Å; F88-P107 HydrophobicContact CD2-CB 3.86Å; F88-P107 HydrophobicContact CD2-CG 4.13Å; F88-P107 HydrophobicContact CE2-CB 4.17Å; F88-P107 HydrophobicContact CG-CB 3.92Å; F88-P107 HydrophobicContact CG-CG 4.46Å; F88-P107 PolarHBondContact N-O 3.37Å
108Q86.7Confident73.4Confident13 Ų1360.8 Ų60.86%0.06130%0.295CS..EExtended strand (participates in β ladder)trans-127.7135.5-178-68.3162.46900108.7D66 S67 L85 F86 Y87 T106D66-Q108 WeakPolarHBondContact CB-O 2.99Å; S67-Q108 PolarHBondContact N-O 3.44Å; S67-Q108 PolarHBondContact OG-N 3.41Å; L85-Q108 HydrophobicContact CD1-CB 3.92Å; L85-Q108 HydrophobicContact CG-CB 4.36Å; F86-Q108 VanDerWaalsContact O-CA 3.29Å; F86-Q108 WeakPolarHBondContact O-CA 3.3Å; Y87-Q108 HydrophobicContact CD1-CG 3.51Å; Y87-Q108 HydrophobicContact CE1-CG 3.75Å; Y87-Q108 HydrophobicContact CG-CG 4.37Å; T106-Q108 PolarHBondContact O-N 2.89Å; T106-Q108 PolarHBondContact O-NE2 3.34Å
109I90.3Very high75.2Confident8 Ų860.9 Ų60.94%0.04130%0.295CS..EExtended strand (participates in β ladder)trans-133.6153.3-179.563.1165.9000111.2F86 F88 V111 F136F86-I109 HydrophobicContact CB-CG1 4.19Å; F86-I109 HydrophobicContact CD1-CD1 4.23Å; F86-I109 HydrophobicContact CD1-CG1 4.03Å; F86-I109 PolarHBondContact N-O 3.14Å; F86-I109 PolarHBondContact O-N 3.07Å; F88-I109 HydrophobicContact CE1-CD1 3.92Å; F88-I109 HydrophobicContact CE1-CG1 3.92Å; F88-I109 HydrophobicContact CE1-CG2 3.83Å; F88-I109 HydrophobicContact CZ-CG2 4.28Å; I109-V111 HydrophobicContact CD1-CG1 3.86Å; I109-V111 HydrophobicContact CG1-CG1 4.02Å; I109-F136 WeakPolarHBondContact CD1-O 3.4Å
110C91.4Very high77.3Confident6 Ų656.2 Ų56.24%0.04127%0.271CS..EExtended strand (participates in β ladder)trans-82.3133.6169.7-54.20000110.4C72 N79 K82 Y84C72-C110 WeakPolarHBondContact CA-SG 3.49Å; C72-C110 HydrophobicContact CB-CB 3.76Å; C72-C110 WeakPolarHBondContact CB-SG 3.35Å; C72-C110 VanDerWaalsContact SG-CA 3.53Å; C72-C110 WeakPolarHBondContact SG-CB 3.09Å; C72-C110 CovalentContact SG-SG 2.03Å; C72-C110 PolarHBondContact SG-SG 2.95Å; N79-C110 HydrophobicContact CB-CB 3.94Å; N79-C110 PolarHBondContact ND2-SG 3.02Å; N79-C110 VanDerWaalsContact ND2-SG 3.36Å; K82-C110 HydrophobicContact CB-CB 3.81Å; K82-C110 WeakPolarHBondContact CD-O 3.26Å; Y84-C110 CarbonylContact O-C 3.58Å; Y84-C110 WeakPolarHBondContact O-CA 3.44Å
111V91.7Very high79.5Confident5 Ų551.2 Ų51.23%0.0325%0.245CC..EExtended strand (participates in β ladder)trans-129.1152.2177.7-59.50000111K82 Y84 F86 I109 K113 F136K82-V111 CarbonylContact C-O 3.04Å; K82-V111 WeakPolarHBondContact CA-O 3.18Å; Y84-V111 PolarHBondContact N-O 3.12Å; Y84-V111 VanDerWaalsContact N-O 3.1Å; Y84-V111 PolarHBondContact O-N 2.88Å; F86-V111 HydrophobicContact CB-CG1 3.91Å; F86-V111 HydrophobicContact CB-CG2 3.96Å; I109-V111 HydrophobicContact CD1-CG1 3.86Å; I109-V111 HydrophobicContact CG1-CG1 4.02Å; V111-K113 WeakPolarHBondContact CG2-O 3.46Å; V111-F136 HydrophobicContact CB-CE1 4.46Å; V111-F136 HydrophobicContact CG1-CD1 3.92Å; V111-F136 HydrophobicContact CG1-CE1 4.24Å
112E90.6Very high81.4Confident139 Ų13950.2 Ų50.265%0.6524%0.242SC*.SBendtrans-75-38.5177.3-176.5175.1176.900111.8K82 Y84K82-E112 HydrophobicContact CG-CB 4.5Å; Y84-E112 WeakPolarHBondContact CD2-O 3.42Å; Y84-E112 WeakPolarHBondContact CE2-O 3.39Å
113K90.6Very high83.1Confident136 Ų13646.5 Ų46.559%0.59123%0.231SC*.SBendtrans-137.8141178.8-164.3-178.6178.6-169.30109.8V111 F136V111-K113 WeakPolarHBondContact CG2-O 3.46Å; K113-F136 WeakPolarHBondContact O-CE1 3.31Å
114C90Very high84.2Confident7 Ų744.5 Ų44.55%0.04722%0.221CC..  trans-66.9150.1172.2-65.50000110.9D116 S163 C170C114-D116 PolarHBondContact O-N 3Å; C114-S163 WeakPolarHBondContact CB-O 3.4Å; C114-C170 WeakPolarHBondContact CA-SG 3.16Å; C114-C170 HydrophobicContact CB-CB 3.84Å; C114-C170 WeakPolarHBondContact CB-SG 3.23Å; C114-C170 WeakPolarHBondContact SG-CA 3.18Å; C114-C170 WeakPolarHBondContact SG-CB 3.25Å; C114-C170 CovalentContact SG-SG 2.05Å; C114-C170 PolarHBondContact SG-SG 3.47Å
115P90.4Very high84.9Confident0 Ų046.7 Ų46.70%023%0.226CC..  trans-61.7132.7-178.424.3-33.5000111.1F86 Y132 F136 L160 I161 P162 S163F86-P115 HydrophobicContact CD2-CG 4.25Å; F86-P115 HydrophobicContact CE2-CG 3.86Å; P115-Y132 VanDerWaalsContact CA-OH 3.3Å; P115-Y132 WeakPolarHBondContact CA-OH 3.41Å; P115-F136 HydrophobicContact CB-CE1 3.97Å; P115-F136 HydrophobicContact CB-CE2 4.41Å; P115-F136 HydrophobicContact CB-CZ 3.86Å; P115-F136 HydrophobicContact CG-CE1 4.21Å; P115-L160 HydrophobicContact CB-CB 4.4Å; P115-I161 WeakPolarHBondContact CG-O 3.34Å; P115-P162 CarbonylContact O-C 3.47Å; P115-P162 WeakPolarHBondContact O-CA 3.43Å; P115-S163 PolarHBondContact O-N 2.86Å
116D87.1Confident85.3Confident77 Ų7748.3 Ų48.341%0.41224%0.239SC..  trans-99.5-16.3-177.161.55.5000114.1C114 Y132C114-D116 PolarHBondContact O-N 3Å; D116-Y132 PolarHBondContact N-OH 2.87Å; D116-Y132 PolarHBondContact OD1-OH 3.17Å
117R84.6Confident85.6Confident110 Ų11050.1 Ų50.142%0.41525%0.252SS..SBendtrans-132.6155.6-173.867.9-169.574.6-171.51.4112L119 D129 Y132R117-L119 HydrophobicContact CG-CD1 3.82Å; R117-L119 HydrophobicContact CG-CG 4.15Å; R117-D129 IonicContact NH1-OD1 3.95Å; R117-Y132 HydrophobicContact CG-CE1 3.74Å
118Y84.4Confident85.5Confident79 Ų7960.2 Ų60.231%0.3129%0.285SS..  trans-85.4125.3177.1-178.4-90.9000110.6T120 V159 L160 E190Y118-T120 HydrophobicContact CE1-CG2 4.28Å; Y118-V159 HydrophobicContact CD2-CG2 4.16Å; Y118-V159 HydrophobicContact CE1-CG2 4.48Å; Y118-V159 HydrophobicContact CE2-CG2 3.42Å; Y118-V159 VanDerWaalsContact CE2-CG2 3.42Å; Y118-L160 WeakPolarHBondContact CA-O 3.45Å; Y118-L160 WeakPolarHBondContact CD2-O 3.5Å; Y118-E190 WeakPolarHBondContact OH-CA 3.3Å; Y118-E190 VanDerWaalsContact OH-CB 3.25Å; Y118-E190 WeakPolarHBondContact OH-CB 3.29Å; Y118-E190 PolarHBondContact OH-N 2.87Å; Y118-E190 PolarHBondContact OH-O 2.89Å
119L85.1Confident85.4Confident19 Ų1962.2 Ų62.210%0.09930%0.296CS..EExtended strand (participates in β ladder)trans-147.9134.3-179.4-77.7165.9000110.9R117 D129 Y132 Y133 V159 L160R117-L119 HydrophobicContact CG-CD1 3.82Å; R117-L119 HydrophobicContact CG-CG 4.15Å; L119-D129 HydrophobicContact CD1-CB 4.12Å; L119-D129 HydrophobicContact CD2-CB 4.27Å; L119-Y132 HydrophobicContact CD1-CD1 3.68Å; L119-Y132 HydrophobicContact CD1-CE1 3.83Å; L119-Y133 HydrophobicContact CB-CD2 4.07Å; L119-Y133 HydrophobicContact CB-CE2 4.16Å; L119-Y133 HydrophobicContact CD1-CD2 4.48Å; L119-V159 CarbonylContact O-C 3.56Å; L119-V159 WeakPolarHBondContact O-CA 3.43Å; L119-L160 HydrophobicContact CB-CB 4.37Å; L119-L160 HydrophobicContact CB-CD1 4.44Å; L119-L160 PolarHBondContact N-O 2.95Å; L119-L160 PolarHBondContact O-N 3.47Å
120T83.9Confident85.1Confident5 Ų563.1 Ų63.13%0.03130%0.3CS..EExtended strand (participates in β ladder)trans-92.4151167.360.60000110.1Y118 L122 N123 A124 V159Y118-T120 HydrophobicContact CE1-CG2 4.28Å; T120-L122 VanDerWaalsContact C-N 3.27Å; T120-L122 PolarHBondContact O-N 3.42Å; T120-N123 PolarHBondContact O-N 2.96Å; T120-N123 WeakPolarHBondContact OG1-CB 3.38Å; T120-N123 PolarHBondContact OG1-N 2.89Å; T120-N123 PolarHBondContact OG1-ND2 3.28Å; T120-A124 WeakPolarHBondContact O-CB 3.2Å; T120-A124 PolarHBondContact O-N 3.4Å; T120-V159 HydrophobicContact CG2-CG2 4.32Å
121Y82.8Confident84.9Confident1 Ų168.6 Ų68.60%0.00433%0.325CS..Hα-helixtrans-59.1-39179.5179.6-114.1000112.5N123 A124 R125 F130 Y133 V147 V150 L151 C156 A158Y121-N123 PolarHBondContact O-N 3.43Å; Y121-A124 PolarHBondContact O-N 3.49Å; Y121-R125 WeakPolarHBondContact O-CB 3.42Å; Y121-R125 PolarHBondContact O-N 2.82Å; Y121-F130 HydrophobicContact CE2-CE2 4.16Å; Y121-Y133 HydrophobicContact CD2-CD1 4.02Å; Y121-Y133 AromaticContact CD2-CE1 3.55Å; Y121-Y133 HydrophobicContact CD2-CE1 3.55Å; Y121-Y133 HydrophobicContact CE2-CE1 4.44Å; Y121-Y133 HydrophobicContact CG-CE1 4.36Å; Y121-V147 HydrophobicContact CD1-CG1 3.92Å; Y121-V147 HydrophobicContact CE1-CB 4.34Å; Y121-V147 HydrophobicContact CE1-CG1 3.96Å; Y121-V147 HydrophobicContact CE1-CG2 4.29Å; Y121-V150 HydrophobicContact CE1-CB 4.07Å; Y121-V150 HydrophobicContact CE1-CG1 3.99Å; Y121-V150 HydrophobicContact CE2-CG1 4.14Å; Y121-L151 HydrophobicContact CD1-CD1 4.43Å; Y121-L151 HydrophobicContact CD1-CD2 4.02Å; Y121-L151 HydrophobicContact CD1-CG 4.12Å; Y121-L151 HydrophobicContact CG-CD2 4.19Å; Y121-C156 HydrophobicContact CD2-CB 4.33Å; Y121-C156 HydrophobicContact CE2-CB 4.36Å; Y121-A158 PolarHBondContact N-O 3.05Å
122L80.9Confident84.7Confident93 Ų9370.4 Ų70.449%0.48733%0.331SS..Hα-helixtrans-57.7-47176.9-76.3165.9000112.3T120 S126 V147T120-L122 VanDerWaalsContact C-N 3.27Å; T120-L122 PolarHBondContact O-N 3.42Å; L122-S126 PolarHBondContact O-OG 3.32Å; L122-V147 HydrophobicContact CD2-CG1 3.69Å; L122-V147 HydrophobicContact CD2-CG2 4.44Å; L122-V147 HydrophobicContact CG-CG1 4.36Å
123N81.6Confident84.6Confident98 Ų9863.8 Ų63.852%0.52430%0.3SS..Hα-helixtrans-74.3-37.1-178.8-67.6-9.6000111.7T120 Y121 S126 S127T120-N123 PolarHBondContact O-N 2.96Å; T120-N123 WeakPolarHBondContact OG1-CB 3.38Å; T120-N123 PolarHBondContact OG1-N 2.89Å; T120-N123 PolarHBondContact OG1-ND2 3.28Å; Y121-N123 PolarHBondContact O-N 3.43Å; N123-S126 PolarHBondContact O-OG 2.96Å; N123-S127 VanDerWaalsContact O-CB 3.32Å; N123-S127 WeakPolarHBondContact O-CB 3.33Å; N123-S127 PolarHBondContact O-N 3.08Å; N123-S127 PolarHBondContact O-OG 3.22Å
124A82.4Confident84.5Confident0 Ų061 Ų610%029%0.288CS..Hα-helixtrans-70.3-33.7179.700000112.7T120 Y121 S126 S127 F130 Y133T120-A124 WeakPolarHBondContact O-CB 3.2Å; T120-A124 PolarHBondContact O-N 3.4Å; Y121-A124 PolarHBondContact O-N 3.49Å; A124-S126 VanDerWaalsContact C-N 3.3Å; A124-S126 PolarHBondContact O-N 2.75Å; A124-S127 PolarHBondContact O-N 3.14Å; A124-F130 WeakPolarHBondContact O-CA 3.04Å; A124-F130 VanDerWaalsContact O-CB 3.28Å; A124-F130 WeakPolarHBondContact O-CB 3.49Å; A124-F130 PolarHBondContact O-N 2.63Å; A124-Y133 HydrophobicContact CB-CD2 3.34Å; A124-Y133 HydrophobicContact CB-CE2 4.05Å; A124-Y133 HydrophobicContact CB-CG 3.67Å
125R80.6Confident84.5Confident70 Ų7066.4 Ų66.426%0.26431%0.313SS..Hα-helixtrans-66.8-30.7179.8-172.2175.4-176.7160.78.9113.1Y121 F130 N143 K145 V147Y121-R125 WeakPolarHBondContact O-CB 3.42Å; Y121-R125 PolarHBondContact O-N 2.82Å; R125-F130 HydrophobicContact CB-CD2 4.34Å; R125-F130 HydrophobicContact CB-CE2 4.44Å; R125-F130 HydrophobicContact CG-CE2 4.38Å; R125-N143 PolarHBondContact NE-OD1 3.15Å; R125-N143 PolarHBondContact NH2-OD1 2.8Å; R125-K145 PolarHBondContact NH1-O 2.76Å; R125-K145 PolarHBondContact NH2-O 3.27Å; R125-V147 VanDerWaalsContact NH1-CG2 3.28Å
126S78.4Confident84.4Confident104 Ų10466.5 Ų66.573%0.72731%0.313SS*.Hα-helixtrans-94.9-9.2179.556.20000113.6L122 N123 A124L122-S126 PolarHBondContact O-OG 3.32Å; N123-S126 PolarHBondContact O-OG 2.96Å; A124-S126 VanDerWaalsContact C-N 3.3Å; A124-S126 PolarHBondContact O-N 2.75Å
127S81.4Confident84.5Confident43 Ų4363.1 Ų63.130%0.30130%0.296SS..SBendtrans-105.1174-17984.90000113N123 A124 D129N123-S127 VanDerWaalsContact O-CB 3.32Å; N123-S127 WeakPolarHBondContact O-CB 3.33Å; N123-S127 PolarHBondContact O-N 3.08Å; N123-S127 PolarHBondContact O-OG 3.22Å; A124-S127 PolarHBondContact O-N 3.14Å; S127-D129 PolarHBondContact O-N 3.05Å; S127-D129 VanDerWaalsContact OG-CB 3.29Å; S127-D129 WeakPolarHBondContact OG-CB 3.43Å; S127-D129 PolarHBondContact OG-N 3.05Å; S127-D129 PolarHBondContact OG-OD2 3.14Å
128R80.8Confident84.5Confident251 Ų25160 Ų6095%0.94729%0.288SS*.THydrogen-bonded Turntrans-70-7171.6-64.3-177.1-177.8179.50.6112.9F130R128-F130 VanDerWaalsContact C-N 3.25Å; R128-F130 PolarHBondContact O-N 3.06Å
129D83.8Confident84.3Confident55 Ų5559.2 Ų59.229%0.29429%0.293SS..THydrogen-bonded Turntrans-81.3-1.6-179.4-53.7-68.7000113.1R117 L119 S127 E131 Y132 Y133R117-D129 IonicContact NH1-OD1 3.95Å; L119-D129 HydrophobicContact CD1-CB 4.12Å; L119-D129 HydrophobicContact CD2-CB 4.27Å; S127-D129 PolarHBondContact O-N 3.05Å; S127-D129 VanDerWaalsContact OG-CB 3.29Å; S127-D129 WeakPolarHBondContact OG-CB 3.43Å; S127-D129 PolarHBondContact OG-N 3.05Å; S127-D129 PolarHBondContact OG-OD2 3.14Å; D129-E131 VanDerWaalsContact C-N 3.3Å; D129-E131 PolarHBondContact O-N 2.9Å; D129-Y132 WeakPolarHBondContact O-CB 3.48Å; D129-Y132 PolarHBondContact O-N 3.37Å; D129-Y132 VanDerWaalsContact O-N 3.13Å; D129-Y133 PolarHBondContact O-N 2.9Å
130F85.6Confident83.8Confident28 Ų2862 Ų6212%0.12333%0.326CS..Hα-helixtrans-57.8-40-178.9-170-115000113.1Y121 A124 R125 R128 Y132 Y133 K134 F141 N143Y121-F130 HydrophobicContact CE2-CE2 4.16Å; A124-F130 WeakPolarHBondContact O-CA 3.04Å; A124-F130 VanDerWaalsContact O-CB 3.28Å; A124-F130 WeakPolarHBondContact O-CB 3.49Å; A124-F130 PolarHBondContact O-N 2.63Å; R125-F130 HydrophobicContact CB-CD2 4.34Å; R125-F130 HydrophobicContact CB-CE2 4.44Å; R125-F130 HydrophobicContact CG-CE2 4.38Å; R128-F130 VanDerWaalsContact C-N 3.25Å; R128-F130 PolarHBondContact O-N 3.06Å; F130-Y132 VanDerWaalsContact C-N 3.32Å; F130-Y132 PolarHBondContact O-N 3.05Å; F130-Y133 PolarHBondContact O-N 3.37Å; F130-K134 VanDerWaalsContact O-CB 3.28Å; F130-K134 WeakPolarHBondContact O-CB 2.97Å; F130-K134 PolarHBondContact O-N 3.24Å; F130-F141 HydrophobicContact CZ-CE1 4.22Å; F130-N143 HydrophobicContact CE1-CB 3.87Å; F130-N143 HydrophobicContact CZ-CB 3.76Å
131E86.1Confident83.7Confident121 Ų12162.6 Ų62.657%0.56533%0.328SS*.Hα-helixtrans-66.9-34178.4-78.4-58.5154.700112.5D129D129-E131 VanDerWaalsContact C-N 3.3Å; D129-E131 PolarHBondContact O-N 2.9Å
132Y88.6Confident83.5Confident42 Ų4269.8 Ų69.817%0.16536%0.36CS..Hα-helixtrans-67.9-45.6170.8170.7-95.7000110.8P115 D116 R117 L119 D129 F130 K134 Q135 F136 L160P115-Y132 VanDerWaalsContact CA-OH 3.3Å; P115-Y132 WeakPolarHBondContact CA-OH 3.41Å; D116-Y132 PolarHBondContact N-OH 2.87Å; D116-Y132 PolarHBondContact OD1-OH 3.17Å; R117-Y132 HydrophobicContact CG-CE1 3.74Å; L119-Y132 HydrophobicContact CD1-CD1 3.68Å; L119-Y132 HydrophobicContact CD1-CE1 3.83Å; D129-Y132 WeakPolarHBondContact O-CB 3.48Å; D129-Y132 PolarHBondContact O-N 3.37Å; D129-Y132 VanDerWaalsContact O-N 3.13Å; F130-Y132 VanDerWaalsContact C-N 3.32Å; F130-Y132 PolarHBondContact O-N 3.05Å; Y132-K134 VanDerWaalsContact C-N 3.32Å; Y132-K134 PolarHBondContact O-N 2.97Å; Y132-Q135 WeakPolarHBondContact O-CB 3.47Å; Y132-Q135 PolarHBondContact O-N 3.47Å; Y132-F136 HydrophobicContact CD1-CE2 4.38Å; Y132-F136 HydrophobicContact CD2-CE2 4.5Å; Y132-F136 AromaticContact CE1-CE2 3.83Å; Y132-F136 HydrophobicContact CE1-CE2 3.83Å; Y132-F136 AromaticContact CE2-CE2 3.98Å; Y132-F136 HydrophobicContact CE2-CE2 3.98Å; Y132-F136 HydrophobicContact CE2-CZ 4.38Å; Y132-F136 AromaticContact CZ-CE2 3.61Å; Y132-F136 WeakPolarHBondContact O-CD2 3.41Å; Y132-L160 HydrophobicContact CE1-CD1 4.16Å
133Y88.4Confident83.3Confident0 Ų068.3 Ų68.30%035%0.352CS..Hα-helixtrans-61.2-40.8-179.6-162.2-79.7000112.7L119 Y121 A124 D129 F130 Q135 F136 C156 P157 A158 L160L119-Y133 HydrophobicContact CB-CD2 4.07Å; L119-Y133 HydrophobicContact CB-CE2 4.16Å; L119-Y133 HydrophobicContact CD1-CD2 4.48Å; Y121-Y133 HydrophobicContact CD2-CD1 4.02Å; Y121-Y133 AromaticContact CD2-CE1 3.55Å; Y121-Y133 HydrophobicContact CD2-CE1 3.55Å; Y121-Y133 HydrophobicContact CE2-CE1 4.44Å; Y121-Y133 HydrophobicContact CG-CE1 4.36Å; A124-Y133 HydrophobicContact CB-CD2 3.34Å; A124-Y133 HydrophobicContact CB-CE2 4.05Å; A124-Y133 HydrophobicContact CB-CG 3.67Å; D129-Y133 PolarHBondContact O-N 2.9Å; F130-Y133 PolarHBondContact O-N 3.37Å; Y133-Q135 PolarHBondContact O-N 3.5Å; Y133-Q135 VanDerWaalsContact O-N 3.11Å; Y133-F136 PolarHBondContact O-N 2.7Å; Y133-C156 HydrophobicContact CE1-CB 4.15Å; Y133-P157 HydrophobicContact CE1-CG 4.16Å; Y133-P157 PolarHBondContact OH-O 3.32Å; Y133-A158 PolarHBondContact OH-O 3.22Å; Y133-L160 HydrophobicContact CD2-CD1 3.45Å; Y133-L160 VanDerWaalsContact CD2-CD1 3.45Å; Y133-L160 HydrophobicContact CD2-CG 3.95Å; Y133-L160 HydrophobicContact CE2-CD1 3.65Å; Y133-L160 HydrophobicContact CE2-CG 3.56Å; Y133-L160 HydrophobicContact CG-CD1 4.08Å
134K88.1Confident83.2Confident78 Ų7870.3 Ų70.334%0.33936%0.363SS..Hα-helixtrans-58.9-24.4-179-172.4178.5175.5-169.60113.2F130 Y132 F136 C137F130-K134 VanDerWaalsContact O-CB 3.28Å; F130-K134 WeakPolarHBondContact O-CB 2.97Å; F130-K134 PolarHBondContact O-N 3.24Å; Y132-K134 VanDerWaalsContact C-N 3.32Å; Y132-K134 PolarHBondContact O-N 2.97Å; K134-F136 PolarHBondContact O-N 3.03Å; K134-C137 PolarHBondContact O-N 3.01Å
135Q88.7Confident83Confident120 Ų12073.4 Ų73.456%0.56138%0.376SS*.THydrogen-bonded Turntrans-63.8-21.6175.1-59.1-179.64.900113.1Y132 Y133Y132-Q135 WeakPolarHBondContact O-CB 3.47Å; Y132-Q135 PolarHBondContact O-N 3.47Å; Y133-Q135 PolarHBondContact O-N 3.5Å; Y133-Q135 VanDerWaalsContact O-N 3.11Å
136F89.8Confident83Confident3 Ų372 Ų721%0.01338%0.383CS..THydrogen-bonded Turntrans-101.17-179.6-56.8-81.7000113.4F86 F88 I109 V111 K113 P115 Y132 Y133 K134 P157 L160F86-F136 HydrophobicContact CD1-CB 4.42Å; F86-F136 HydrophobicContact CD1-CD1 4.23Å; F86-F136 HydrophobicContact CE1-CB 4.15Å; F86-F136 HydrophobicContact CE1-CD1 4.39Å; F86-F136 HydrophobicContact CG-CD1 4.31Å; F88-F136 WeakPolarHBondContact CE1-O 3.17Å; I109-F136 WeakPolarHBondContact CD1-O 3.4Å; V111-F136 HydrophobicContact CB-CE1 4.46Å; V111-F136 HydrophobicContact CG1-CD1 3.92Å; V111-F136 HydrophobicContact CG1-CE1 4.24Å; K113-F136 WeakPolarHBondContact O-CE1 3.31Å; P115-F136 HydrophobicContact CB-CE1 3.97Å; P115-F136 HydrophobicContact CB-CE2 4.41Å; P115-F136 HydrophobicContact CB-CZ 3.86Å; P115-F136 HydrophobicContact CG-CE1 4.21Å; Y132-F136 HydrophobicContact CD1-CE2 4.38Å; Y132-F136 HydrophobicContact CD2-CE2 4.5Å; Y132-F136 AromaticContact CE1-CE2 3.83Å; Y132-F136 HydrophobicContact CE1-CE2 3.83Å; Y132-F136 AromaticContact CE2-CE2 3.98Å; Y132-F136 HydrophobicContact CE2-CE2 3.98Å; Y132-F136 HydrophobicContact CE2-CZ 4.38Å; Y132-F136 AromaticContact CZ-CE2 3.61Å; Y132-F136 WeakPolarHBondContact O-CD2 3.41Å; Y133-F136 PolarHBondContact O-N 2.7Å; K134-F136 PolarHBondContact O-N 3.03Å; F136-P157 HydrophobicContact CB-CG 4.31Å; F136-P157 WeakPolarHBondContact O-CD 3.48Å; F136-L160 HydrophobicContact CB-CD2 3.69Å; F136-L160 HydrophobicContact CD1-CD2 4.37Å; F136-L160 HydrophobicContact CD2-CD1 3.59Å; F136-L160 HydrophobicContact CD2-CD2 4.08Å; F136-L160 HydrophobicContact CE2-CD1 4.09Å; F136-L160 HydrophobicContact CG-CD1 4.17Å; F136-L160 HydrophobicContact CG-CD2 3.78Å
137C88.4Confident83Confident6 Ų669.1 Ų69.14%0.04136%0.361CS..SBendtrans-92.2169.1173.7-60.70000111.7K134 F141 D155 C156K134-C137 PolarHBondContact O-N 3.01Å; C137-F141 HydrophobicContact CB-CB 4.1Å; C137-F141 HydrophobicContact CB-CD1 4.11Å; C137-F141 HydrophobicContact CB-CG 4.18Å; C137-D155 CarbonylContact C-O 3.56Å; C137-D155 WeakPolarHBondContact CA-O 3.3Å; C137-D155 WeakPolarHBondContact CB-O 3.48Å; C137-C156 HydrophobicContact CB-CB 4.09Å; C137-C156 WeakPolarHBondContact CB-SG 3.31Å; C137-C156 WeakPolarHBondContact SG-CB 3.28Å; C137-C156 CovalentContact SG-SG 2.04Å; C137-C156 PolarHBondContact SG-SG 3.24Å
138V84.7Confident82.7Confident43 Ų4371 Ų7126%0.26138%0.379SS..PPolyproline II helixtrans-58.9143.3176.3-62.80000111.3F88 G140 F141 D155F88-V138 HydrophobicContact CE2-CG1 4.45Å; F88-V138 HydrophobicContact CZ-CG1 4.06Å; V138-G140 PolarHBondContact O-N 3.39Å; V138-F141 HydrophobicContact CG2-CB 4.31Å; V138-F141 WeakPolarHBondContact O-CB 3.4Å; V138-F141 PolarHBondContact O-N 3.37Å; V138-D155 HydrophobicContact CG2-CB 4.2Å; V138-D155 WeakPolarHBondContact CG2-O 3.14Å; V138-D155 PolarHBondContact N-O 3.47Å
139P79.6Confident82.4Confident64 Ų6462.3 Ų62.342%0.41635%0.35SS..THydrogen-bonded Turntrans-62.1128.4-177.1-29.241.3000112.3
140G75.6Confident82.3Confident76 Ų7659.7 Ų59.778%0.78434%0.336SS*.THydrogen-bonded Turntrans94.33.1-178.100000115.2V138 K142V138-G140 PolarHBondContact O-N 3.39Å; G140-K142 PolarHBondContact O-N 3.46Å
141F82.3Confident82Confident19 Ų1960.3 Ų60.38%0.08334%0.34CS..  trans-57.6133.2177.8178.4-106.6000113.6F130 C137 V138 V150 D155 C156F130-F141 HydrophobicContact CZ-CE1 4.22Å; C137-F141 HydrophobicContact CB-CB 4.1Å; C137-F141 HydrophobicContact CB-CD1 4.11Å; C137-F141 HydrophobicContact CB-CG 4.18Å; V138-F141 HydrophobicContact CG2-CB 4.31Å; V138-F141 WeakPolarHBondContact O-CB 3.4Å; V138-F141 PolarHBondContact O-N 3.37Å; F141-V150 HydrophobicContact CE2-CB 4.5Å; F141-V150 HydrophobicContact CE2-CG1 3.9Å; F141-V150 HydrophobicContact CE2-CG2 3.8Å; F141-V150 HydrophobicContact CZ-CG1 3.83Å; F141-V150 HydrophobicContact CZ-CG2 3.79Å; F141-D155 HydrophobicContact CD2-CB 3.75Å; F141-D155 HydrophobicContact CE2-CB 3.82Å; F141-C156 VanDerWaalsContact CE1-SG 3.59Å
142K78.3Confident81.3Confident151 Ų15159.5 Ų59.566%0.65733%0.332SS*.  trans-122.1142174.8-64.2-176.9-178.5179.10110G140 N144G140-K142 PolarHBondContact O-N 3.46Å; K142-N144 PolarHBondContact O-N 3.03Å
143N76.6Confident80.5Confident62 Ų6258.6 Ų58.633%0.33233%0.33SS..THydrogen-bonded Turntrans-78.646.3-174.9-166.220.2000113.6R125 F130R125-N143 PolarHBondContact NE-OD1 3.15Å; R125-N143 PolarHBondContact NH2-OD1 2.8Å; F130-N143 HydrophobicContact CE1-CB 3.87Å; F130-N143 HydrophobicContact CZ-CB 3.76Å
144N78.6Confident79.9Confident141 Ų14159.3 Ų59.375%0.75434%0.338SS*.THydrogen-bonded Turntrans-103.2-9.3-172.8-6118.4000112.3K142K142-N144 PolarHBondContact O-N 3.03Å
145K79.3Confident79.7Confident64 Ų6456.9 Ų56.928%0.27833%0.328SS..SBendtrans-98.6155.4-176.6-68.4-178.8178178.30112.4R125 E149 V150 D153 D155R125-K145 PolarHBondContact NH1-O 2.76Å; R125-K145 PolarHBondContact NH2-O 3.27Å; K145-E149 HydrophobicContact CB-CB 4.34Å; K145-E149 HydrophobicContact CB-CG 4.3Å; K145-E149 HydrophobicContact CD-CG 4.16Å; K145-E149 HydrophobicContact CG-CG 4.47Å; K145-V150 HydrophobicContact CB-CG2 3.66Å; K145-D153 IonicContact NZ-OD2 2.88Å; K145-D153 PolarHBondContact NZ-OD2 3.24Å; K145-D155 IonicContact NZ-OD2 3.85Å; K145-D155 PolarHBondContact NZ-OD2 3.38Å
146G80.2Confident79.6Confident40 Ų4051.3 Ų51.341%0.41230%0.303SS..  trans-64.1158.6173.100000112.4E149 V150G146-E149 PolarHBondContact N-OE2 2.98Å; G146-E149 WeakPolarHBondContact O-CB 3.28Å; G146-E149 PolarHBondContact O-N 3.29Å; G146-V150 WeakPolarHBondContact O-CG2 3.34Å; G146-V150 PolarHBondContact O-N 2.94Å
147V78.5Confident79.5Confident44 Ų4451.2 Ų51.227%0.26730%0.302SS..Hα-helixtrans-60.8-48.6-178.3173.90000112Y121 L122 R125 E149 V150 L151Y121-V147 HydrophobicContact CD1-CG1 3.92Å; Y121-V147 HydrophobicContact CE1-CB 4.34Å; Y121-V147 HydrophobicContact CE1-CG1 3.96Å; Y121-V147 HydrophobicContact CE1-CG2 4.29Å; L122-V147 HydrophobicContact CD2-CG1 3.69Å; L122-V147 HydrophobicContact CD2-CG2 4.44Å; L122-V147 HydrophobicContact CG-CG1 4.36Å; R125-V147 VanDerWaalsContact NH1-CG2 3.28Å; V147-E149 PolarHBondContact O-N 3.3Å; V147-V150 PolarHBondContact O-N 2.93Å; V147-L151 HydrophobicContact CG1-CD1 4.28Å; V147-L151 PolarHBondContact O-N 2.69Å
148A74.1Confident79.3Confident82 Ų8252.1 Ų52.168%0.67831%0.31SS*.Hα-helixtrans-62.6-33.2178.800000112R152A148-R152 VanDerWaalsContact O-CB 3.23Å; A148-R152 WeakPolarHBondContact O-CB 3.47Å; A148-R152 PolarHBondContact O-N 2.83Å; A148-R152 VanDerWaalsContact O-N 3.13Å
149E75.5Confident79.3Confident70 Ų7050.8 Ų50.833%0.32730%0.302SS..Hα-helixtrans-65.6-57175.9-168176.7-169.800110.2K145 G146 V147 L151 R152 D153 R424K145-E149 HydrophobicContact CB-CB 4.34Å; K145-E149 HydrophobicContact CB-CG 4.3Å; K145-E149 HydrophobicContact CD-CG 4.16Å; K145-E149 HydrophobicContact CG-CG 4.47Å; G146-E149 PolarHBondContact N-OE2 2.98Å; G146-E149 WeakPolarHBondContact O-CB 3.28Å; G146-E149 PolarHBondContact O-N 3.29Å; V147-E149 PolarHBondContact O-N 3.3Å; E149-L151 VanDerWaalsContact C-N 3.29Å; E149-L151 PolarHBondContact O-N 3.46Å; E149-L151 VanDerWaalsContact O-N 3.14Å; E149-R152 CarbonylContact O-C 3.48Å; E149-R152 WeakPolarHBondContact O-CA 3.4Å; E149-R152 WeakPolarHBondContact O-CB 3.48Å; E149-R152 PolarHBondContact O-N 3.26Å; E149-D153 VanDerWaalsContact CG-OD1 3.28Å; E149-D153 WeakPolarHBondContact CG-OD1 3.25Å; E149-D153 PolarHBondContact O-N 2.9Å; E149-R424 VanDerWaalsContact CG-NH2 3.33Å; E149-R424 IonicContact OE1-NH2 3.79Å; E149-R424 PolarHBondContact OE1-NH2 3.46Å
150V81.2Confident79.6Confident0 Ų047.7 Ų47.70%028%0.282CS..Hα-helixtrans-52.4-42.9-179.4174.10000113.6Y121 F141 K145 G146 V147 G154 D155 C156Y121-V150 HydrophobicContact CE1-CB 4.07Å; Y121-V150 HydrophobicContact CE1-CG1 3.99Å; Y121-V150 HydrophobicContact CE2-CG1 4.14Å; F141-V150 HydrophobicContact CE2-CB 4.5Å; F141-V150 HydrophobicContact CE2-CG1 3.9Å; F141-V150 HydrophobicContact CE2-CG2 3.8Å; F141-V150 HydrophobicContact CZ-CG1 3.83Å; F141-V150 HydrophobicContact CZ-CG2 3.79Å; K145-V150 HydrophobicContact CB-CG2 3.66Å; G146-V150 WeakPolarHBondContact O-CG2 3.34Å; G146-V150 PolarHBondContact O-N 2.94Å; V147-V150 PolarHBondContact O-N 2.93Å; V150-G154 PolarHBondContact O-N 3.42Å; V150-D155 HydrophobicContact CG1-CB 4.06Å; V150-D155 PolarHBondContact O-N 3.03Å; V150-C156 HydrophobicContact CG1-CB 3.81Å
151L78.8Confident80Confident41 Ų4145 Ų4522%0.21525%0.249CC..Hα-helixtrans-71.7-33.3179.1-65180000112.6Y121 V147 E149 A158Y121-L151 HydrophobicContact CD1-CD1 4.43Å; Y121-L151 HydrophobicContact CD1-CD2 4.02Å; Y121-L151 HydrophobicContact CD1-CG 4.12Å; Y121-L151 HydrophobicContact CG-CD2 4.19Å; V147-L151 HydrophobicContact CG1-CD1 4.28Å; V147-L151 PolarHBondContact O-N 2.69Å; E149-L151 VanDerWaalsContact C-N 3.29Å; E149-L151 PolarHBondContact O-N 3.46Å; E149-L151 VanDerWaalsContact O-N 3.14Å; L151-A158 HydrophobicContact CD2-CB 4.01Å
152R71.8Confident80.1Confident104 Ų10444.8 Ų44.839%0.39225%0.25SS..Hα-helixtrans-72.6-41.4174.7-177.7-175.261.2179.13.3112.2A148 E149 G154 D396 Q426A148-R152 VanDerWaalsContact O-CB 3.23Å; A148-R152 WeakPolarHBondContact O-CB 3.47Å; A148-R152 PolarHBondContact O-N 2.83Å; A148-R152 VanDerWaalsContact O-N 3.13Å; E149-R152 CarbonylContact O-C 3.48Å; E149-R152 WeakPolarHBondContact O-CA 3.4Å; E149-R152 WeakPolarHBondContact O-CB 3.48Å; E149-R152 PolarHBondContact O-N 3.26Å; R152-G154 PolarHBondContact O-N 2.85Å; R152-D396 WeakPolarHBondContact CD-OD2 3.38Å; R152-D396 IonicContact CZ-OD2 2.71Å; R152-D396 IonicContact NE-OD2 3.14Å; R152-D396 IonicContact NH1-OD2 4Å; R152-D396 PolarHBondContact NH1-OD2 3.38Å; R152-Q426 PolarHBondContact O-NE2 3.04Å; R152-Q426 VanDerWaalsContact O-NE2 3.09Å
153D72.1Confident80.2Confident22 Ų2238.3 Ų38.312%0.11822%0.224CC..Hα-helixtrans-63.5-22176.5-68.159.3000111.8K145 E149 D155 R424 Q426K145-D153 IonicContact NZ-OD2 2.88Å; K145-D153 PolarHBondContact NZ-OD2 3.24Å; E149-D153 VanDerWaalsContact CG-OD1 3.28Å; E149-D153 WeakPolarHBondContact CG-OD1 3.25Å; E149-D153 PolarHBondContact O-N 2.9Å; D153-D155 HydrophobicContact CB-CB 4.24Å; D153-R424 IonicContact OD1-CZ 2.99Å; D153-R424 IonicContact OD1-NE 2.75Å; D153-R424 IonicContact OD1-NH1 3.79Å; D153-R424 PolarHBondContact OD1-NH1 3.43Å; D153-R424 IonicContact OD1-NH2 2.95Å; D153-R424 PolarHBondContact OD1-NH2 2.98Å; D153-R424 IonicContact OD2-CZ 3.92Å; D153-R424 IonicContact OD2-NE 2.8Å; D153-R424 IonicContact OD2-NH1 3.19Å; D153-R424 PolarHBondContact OD2-NH1 3.44Å; D153-R424 IonicContact OD2-NH2 3.46Å; D153-R424 PolarHBondContact OD2-NH2 3.04Å; D153-Q426 PolarHBondContact O-NE2 3.39Å
154G75.6Confident80.4Confident16 Ų1640.2 Ų40.217%0.16523%0.229CC..THydrogen-bonded Turntrans65.631.4-168.800000111.2F88 V150 R152F88-G154 WeakPolarHBondContact CE2-O 3.46Å; V150-G154 PolarHBondContact O-N 3.42Å; R152-G154 PolarHBondContact O-N 2.85Å
155D83.1Confident80.4Confident27 Ų2736.1 Ų36.114%0.14421%0.21CC..SBendtrans-73.6-32.8177-79.6-19.9000110.8C137 V138 F141 K145 V150 D153C137-D155 CarbonylContact C-O 3.56Å; C137-D155 WeakPolarHBondContact CA-O 3.3Å; C137-D155 WeakPolarHBondContact CB-O 3.48Å; V138-D155 HydrophobicContact CG2-CB 4.2Å; V138-D155 WeakPolarHBondContact CG2-O 3.14Å; V138-D155 PolarHBondContact N-O 3.47Å; F141-D155 HydrophobicContact CD2-CB 3.75Å; F141-D155 HydrophobicContact CE2-CB 3.82Å; K145-D155 IonicContact NZ-OD2 3.85Å; K145-D155 PolarHBondContact NZ-OD2 3.38Å; V150-D155 HydrophobicContact CG1-CB 4.06Å; V150-D155 PolarHBondContact O-N 3.03Å; D153-D155 HydrophobicContact CB-CB 4.24Å
156C87.3Confident80.1Confident3 Ų333.7 Ų33.72%0.0220%0.2CC..SBendtrans-134.7153.5174.8-66.70000110.2Y121 Y133 C137 F141 V150Y121-C156 HydrophobicContact CD2-CB 4.33Å; Y121-C156 HydrophobicContact CE2-CB 4.36Å; Y133-C156 HydrophobicContact CE1-CB 4.15Å; C137-C156 HydrophobicContact CB-CB 4.09Å; C137-C156 WeakPolarHBondContact CB-SG 3.31Å; C137-C156 WeakPolarHBondContact SG-CB 3.28Å; C137-C156 CovalentContact SG-SG 2.04Å; C137-C156 PolarHBondContact SG-SG 3.24Å; F141-C156 VanDerWaalsContact CE1-SG 3.59Å; V150-C156 HydrophobicContact CG1-CB 3.81Å
157P87.9Confident79.6Confident1 Ų134.8 Ų34.81%0.00621%0.205CC..  trans-59.5159168.826.3-34.1000110.4F86 F88 Y133 F136 L160F86-P157 HydrophobicContact CE1-CB 4.24Å; F86-P157 HydrophobicContact CE1-CG 4.05Å; F86-P157 HydrophobicContact CZ-CB 4.47Å; F86-P157 HydrophobicContact CZ-CG 4.46Å; F88-P157 HydrophobicContact CB-CB 4.36Å; F88-P157 HydrophobicContact CD2-CB 4.4Å; F88-P157 HydrophobicContact CG-CB 4.21Å; Y133-P157 HydrophobicContact CE1-CG 4.16Å; Y133-P157 PolarHBondContact OH-O 3.32Å; F136-P157 HydrophobicContact CB-CG 4.31Å; F136-P157 WeakPolarHBondContact O-CD 3.48Å; P157-L160 HydrophobicContact CB-CD2 4.37Å; P157-L160 HydrophobicContact CG-CD2 3.61Å
158A84.3Confident79.6Confident25 Ų2536.5 Ų36.521%0.20721%0.207CC..SBendtrans-80.4-36173.300000111.7Y121 Y133 L151Y121-A158 PolarHBondContact N-O 3.05Å; Y133-A158 PolarHBondContact OH-O 3.22Å; L151-A158 HydrophobicContact CD2-CB 4.01Å
159V84.8Confident79.9Confident14 Ų1436.3 Ų36.39%0.08519%0.189CC..EExtended strand (participates in β ladder)trans-142138.9-178.463.10000109.9Y118 L119 T120 I161Y118-V159 HydrophobicContact CD2-CG2 4.16Å; Y118-V159 HydrophobicContact CE1-CG2 4.48Å; Y118-V159 HydrophobicContact CE2-CG2 3.42Å; Y118-V159 VanDerWaalsContact CE2-CG2 3.42Å; L119-V159 CarbonylContact O-C 3.56Å; L119-V159 WeakPolarHBondContact O-CA 3.43Å; T120-V159 HydrophobicContact CG2-CG2 4.32Å; V159-I161 HydrophobicContact CG1-CD1 4.48Å; V159-I161 HydrophobicContact CG1-CG1 4.31Å; V159-I161 HydrophobicContact CG2-CG1 4.4Å
160L86.1Confident80.3Confident0 Ų033.1 Ų33.10%017%0.174CC..EExtended strand (participates in β ladder)trans-96126.9167.4-62.8-180000108.5F86 P115 Y118 L119 Y132 Y133 F136 P157F86-L160 HydrophobicContact CE1-CD2 4.17Å; F86-L160 HydrophobicContact CZ-CD2 3.7Å; P115-L160 HydrophobicContact CB-CB 4.4Å; Y118-L160 WeakPolarHBondContact CA-O 3.45Å; Y118-L160 WeakPolarHBondContact CD2-O 3.5Å; L119-L160 HydrophobicContact CB-CB 4.37Å; L119-L160 HydrophobicContact CB-CD1 4.44Å; L119-L160 PolarHBondContact N-O 2.95Å; L119-L160 PolarHBondContact O-N 3.47Å; Y132-L160 HydrophobicContact CE1-CD1 4.16Å; Y133-L160 HydrophobicContact CD2-CD1 3.45Å; Y133-L160 VanDerWaalsContact CD2-CD1 3.45Å; Y133-L160 HydrophobicContact CD2-CG 3.95Å; Y133-L160 HydrophobicContact CE2-CD1 3.65Å; Y133-L160 HydrophobicContact CE2-CG 3.56Å; Y133-L160 HydrophobicContact CG-CD1 4.08Å; F136-L160 HydrophobicContact CB-CD2 3.69Å; F136-L160 HydrophobicContact CD1-CD2 4.37Å; F136-L160 HydrophobicContact CD2-CD1 3.59Å; F136-L160 HydrophobicContact CD2-CD2 4.08Å; F136-L160 HydrophobicContact CE2-CD1 4.09Å; F136-L160 HydrophobicContact CG-CD1 4.17Å; F136-L160 HydrophobicContact CG-CD2 3.78Å; P157-L160 HydrophobicContact CB-CD2 4.37Å; P157-L160 HydrophobicContact CG-CD2 3.61Å
161I83.1Confident80.2Confident19 Ų1935.5 Ų35.510%0.09719%0.185CC..  trans-110.4128.1179.2-58.9178.3000108P115 V159 S163 P172 V183 L202P115-I161 WeakPolarHBondContact CG-O 3.34Å; V159-I161 HydrophobicContact CG1-CD1 4.48Å; V159-I161 HydrophobicContact CG1-CG1 4.31Å; V159-I161 HydrophobicContact CG2-CG1 4.4Å; I161-S163 PolarHBondContact O-N 3.24Å; I161-S163 PolarHBondContact O-OG 3Å; I161-P172 HydrophobicContact CG2-CB 4.1Å; I161-P172 HydrophobicContact CG2-CG 4.41Å; I161-V183 HydrophobicContact CG2-CG1 3.54Å; I161-L202 HydrophobicContact CD1-CD1 4.02Å; I161-L202 HydrophobicContact CD1-CD2 4.49Å; I161-L202 HydrophobicContact CG2-CD2 4.38Å
162P84.3Confident80.1Confident15 Ų1534.1 Ų34.110%0.09718%0.178CC..  trans-49125.6175.5-25.931.7000111.1P115 P172 A173 V183P115-P162 CarbonylContact O-C 3.47Å; P115-P162 WeakPolarHBondContact O-CA 3.43Å; P162-P172 CarbonylContact O-C 3.58Å; P162-P172 WeakPolarHBondContact O-CA 3.46Å; P162-A173 PolarHBondContact O-N 3.48Å; P162-V183 HydrophobicContact CG-CG1 4.43Å
163S81.6Confident80.1Confident15 Ų1529.9 Ų29.911%0.10517%0.165CC..EExtended strand (participates in β ladder)trans-139.2146.8-168.2-66.40000112.1C114 P115 I161 F171C114-S163 WeakPolarHBondContact CB-O 3.4Å; P115-S163 PolarHBondContact O-N 2.86Å; I161-S163 PolarHBondContact O-N 3.24Å; I161-S163 PolarHBondContact O-OG 3Å; S163-F171 CarbonylContact C-O 3.38Å; S163-F171 WeakPolarHBondContact CA-O 3.31Å; S163-F171 WeakPolarHBondContact CB-O 3.19Å
164K80.5Confident79.9Confident101 Ų10129.8 Ų29.844%0.43917%0.165SC..EExtended strand (participates in β ladder)trans-108145.3171.9-72.3-177.6-178175.90110.7L166 F171 A173K164-L166 PolarHBondContact O-N 3.28Å; K164-F171 PolarHBondContact N-O 2.92Å; K164-F171 PolarHBondContact O-N 3.26Å; K164-A173 HydrophobicContact CD-CB 4.43Å; K164-A173 HydrophobicContact CG-CB 4.04Å
165P78.8Confident79.3Confident56 Ų5633.6 Ų33.636%0.36418%0.178SC..EExtended strand (participates in β ladder)trans-71.6127.417628-33000111.3Y84 R169Y84-P165 HydrophobicContact CD1-CB 3.53Å; Y84-P165 HydrophobicContact CE1-CB 3.26Å; Y84-P165 HydrophobicContact CE1-CG 4.13Å; Y84-P165 HydrophobicContact CE2-CB 4.49Å; Y84-P165 HydrophobicContact CG-CB 4.28Å; P165-R169 CarbonylContact C-O 3.59Å; P165-R169 WeakPolarHBondContact CA-O 3.42Å
166L72.5Confident77.8Confident13 Ų1336 Ų367%0.06820%0.201CC..EExtended strand (participates in β ladder)trans-137.5124.8175.2-178.371.9000109.7K164 R168 R169 F171 A209 V212 L213K164-L166 PolarHBondContact O-N 3.28Å; L166-R168 PolarHBondContact O-N 2.91Å; L166-R169 PolarHBondContact N-O 3.27Å; L166-R169 WeakPolarHBondContact O-CA 3.45Å; L166-R169 WeakPolarHBondContact O-CB 3.43Å; L166-R169 PolarHBondContact O-N 3.45Å; L166-R169 VanDerWaalsContact O-O 3.08Å; L166-F171 HydrophobicContact CB-CD2 3.84Å; L166-F171 HydrophobicContact CB-CE2 4.44Å; L166-F171 HydrophobicContact CD2-CD2 4.03Å; L166-F171 HydrophobicContact CD2-CE2 4.25Å; L166-F171 HydrophobicContact CD2-CG 4.48Å; L166-F171 HydrophobicContact CG-CD2 4.46Å; L166-A209 HydrophobicContact CD2-CB 3.55Å; L166-A209 WeakPolarHBondContact CD2-O 3.4Å; L166-V212 HydrophobicContact CD1-CB 4.33Å; L166-V212 HydrophobicContact CD1-CG1 3.98Å; L166-V212 HydrophobicContact CD2-CB 4.11Å; L166-V212 HydrophobicContact CD2-CG1 4.2Å; L166-V212 HydrophobicContact CG-CG1 4.32Å; L166-L213 HydrophobicContact CD1-CB 3.93Å; L166-L213 HydrophobicContact CD1-CD1 4.03Å
167A69.4Low75.9Confident63 Ų6343 Ų4352%0.52123%0.228SC..THydrogen-bonded Turntrans48.143-17800000113.7R169A167-R169 PolarHBondContact O-N 2.91Å
168R78.3Confident73.7Confident80 Ų8051.6 Ų51.630%0.30227%0.266SS..THydrogen-bonded Turntrans62.122.5-175.1-60.9-179.1-179-129.76.5114.6Y63 P64 G73 P83 Y84 L85 L166Y63-R168 VanDerWaalsContact CE1-CZ 3.42Å; P64-R168 HydrophobicContact CG-CB 3.91Å; P64-R168 WeakPolarHBondContact CG-O 3.33Å; G73-R168 PolarHBondContact O-NH1 3.3Å; P83-R168 WeakPolarHBondContact O-CB 3.4Å; Y84-R168 CarbonylContact C-O 3.17Å; Y84-R168 WeakPolarHBondContact CA-O 3.47Å; L85-R168 PolarHBondContact N-O 3.44Å; L166-R168 PolarHBondContact O-N 2.91Å
169R82.2Confident72Confident77 Ų7753.9 Ų53.929%0.29129%0.292SS..EExtended strand (participates in β ladder)trans-126.5149.4175.9-56.9-179.9-175.3-106.2-1.3110.1L85 Y87 P165 L166 A167 F171L85-R169 HydrophobicContact CB-CG 4.23Å; L85-R169 HydrophobicContact CD2-CG 4.46Å; L85-R169 VanDerWaalsContact CD2-NH1 3.31Å; L85-R169 CarbonylContact O-C 3.54Å; L85-R169 WeakPolarHBondContact O-CA 3.17Å; Y87-R169 HydrophobicContact CE2-CB 4.43Å; Y87-R169 PolarHBondContact OH-NH1 2.95Å; P165-R169 CarbonylContact C-O 3.59Å; P165-R169 WeakPolarHBondContact CA-O 3.42Å; L166-R169 PolarHBondContact N-O 3.27Å; L166-R169 WeakPolarHBondContact O-CA 3.45Å; L166-R169 WeakPolarHBondContact O-CB 3.43Å; L166-R169 PolarHBondContact O-N 3.45Å; L166-R169 VanDerWaalsContact O-O 3.08Å; A167-R169 PolarHBondContact O-N 2.91Å; R169-F171 HydrophobicContact CB-CD2 4.17Å; R169-F171 HydrophobicContact CB-CE2 3.78Å
170C83Confident70.4Confident3 Ų356.9 Ų56.92%0.0231%0.31CS..EExtended strand (participates in β ladder)trans-88.9118.8176.6-63.40000110.5L85 F86 C114L85-C170 PolarHBondContact O-N 3.33Å; F86-C170 HydrophobicContact CD2-CB 4.12Å; C114-C170 WeakPolarHBondContact CA-SG 3.16Å; C114-C170 HydrophobicContact CB-CB 3.84Å; C114-C170 WeakPolarHBondContact CB-SG 3.23Å; C114-C170 WeakPolarHBondContact SG-CA 3.18Å; C114-C170 WeakPolarHBondContact SG-CB 3.25Å; C114-C170 CovalentContact SG-SG 2.05Å; C114-C170 PolarHBondContact SG-SG 3.47Å
171F78Confident69.1Low50 Ų5059.7 Ų59.722%0.21933%0.325CS..EExtended strand (participates in β ladder)trans-116.9142.5176.2-80.7-90000111I90 S163 K164 L166 R169 A173 A209I90-F171 HydrophobicContact CD1-CD1 3.67Å; I90-F171 HydrophobicContact CD1-CE1 3.92Å; I90-F171 HydrophobicContact CD1-CG 4.37Å; S163-F171 CarbonylContact C-O 3.38Å; S163-F171 WeakPolarHBondContact CA-O 3.31Å; S163-F171 WeakPolarHBondContact CB-O 3.19Å; K164-F171 PolarHBondContact N-O 2.92Å; K164-F171 PolarHBondContact O-N 3.26Å; L166-F171 HydrophobicContact CB-CD2 3.84Å; L166-F171 HydrophobicContact CB-CE2 4.44Å; L166-F171 HydrophobicContact CD2-CD2 4.03Å; L166-F171 HydrophobicContact CD2-CE2 4.25Å; L166-F171 HydrophobicContact CD2-CG 4.48Å; L166-F171 HydrophobicContact CG-CD2 4.46Å; R169-F171 HydrophobicContact CB-CD2 4.17Å; R169-F171 HydrophobicContact CB-CE2 3.78Å; F171-A173 PolarHBondContact O-N 3.31Å; F171-A209 HydrophobicContact CB-CB 4.24Å; F171-A209 HydrophobicContact CD1-CB 3.7Å; F171-A209 HydrophobicContact CE1-CB 4.15Å; F171-A209 HydrophobicContact CG-CB 3.93Å
172P78.2Confident68Low13 Ų1360.6 Ų60.68%0.08433%0.329CS..EExtended strand (participates in β ladder)trans-51.5133.1177.9-2834.4000112.8I90 I161 P162 I174 L202I90-P172 HydrophobicContact CG2-CG 3.87Å; I161-P172 HydrophobicContact CG2-CB 4.1Å; I161-P172 HydrophobicContact CG2-CG 4.41Å; P162-P172 CarbonylContact O-C 3.58Å; P162-P172 WeakPolarHBondContact O-CA 3.46Å; P172-I174 VanDerWaalsContact C-N 3.33Å; P172-I174 HydrophobicContact CB-CG1 4.2Å; P172-I174 PolarHBondContact O-N 2.88Å; P172-L202 HydrophobicContact CB-CD2 3.72Å; P172-L202 HydrophobicContact CG-CD2 3.9Å; P172-L202 HydrophobicContact CG-CG 4.47Å
173A71.5Confident66.9Low14 Ų1460.7 Ų60.712%0.11633%0.329CS..  trans-79.180.8178.300000109.8P162 K164 F171P162-A173 PolarHBondContact O-N 3.48Å; K164-A173 HydrophobicContact CD-CB 4.43Å; K164-A173 HydrophobicContact CG-CB 4.04Å; F171-A173 PolarHBondContact O-N 3.31Å
174I67.2Low66.2Low21 Ų2161.6 Ų61.611%0.10834%0.341CS..EExtended strand (participates in β ladder)trans-83.6129.3179.7-50.7-157.3000110.3P172 L181 M182 V183 L202 V203 A206P172-I174 VanDerWaalsContact C-N 3.33Å; P172-I174 HydrophobicContact CB-CG1 4.2Å; P172-I174 PolarHBondContact O-N 2.88Å; I174-L181 HydrophobicContact CG2-CB 4.42Å; I174-L181 HydrophobicContact CG2-CD2 3.81Å; I174-M182 WeakPolarHBondContact CA-O 3.45Å; I174-V183 HydrophobicContact CD1-CG2 4.41Å; I174-V183 HydrophobicContact CG1-CG2 3.99Å; I174-L202 HydrophobicContact CD1-CD2 4.38Å; I174-V203 HydrophobicContact CD1-CB 4.43Å; I174-V203 HydrophobicContact CD1-CG2 3.82Å; I174-V203 HydrophobicContact CG2-CG2 4.36Å; I174-A206 HydrophobicContact CD1-CB 3.24Å; I174-A206 HydrophobicContact CG1-CB 3.73Å
175H63Low65.4Low96 Ų9664.4 Ų64.444%0.44436%0.361SS..EExtended strand (participates in β ladder)trans-118.8135.1174.8-71.6-84000110.1M182H175-M182 PolarHBondContact N-O 2.86Å; H175-M182 PolarHBondContact O-N 3.31Å
176A52.4Low64.7Low77 Ų7766.2 Ų66.264%0.63637%0.365SS*.EExtended strand (participates in β ladder)trans-102119.9173.400000109.3V180A176-V180 WeakPolarHBondContact CA-O 3.33Å
177Y46Very low64.3Low150 Ų15068.8 Ų68.859%0.58838%0.381SS*.EExtended strand (participates in β ladder)trans-123122.6174.2-172.3-105.3000108.9G179 V180 M182Y177-G179 PolarHBondContact O-N 3.06Å; Y177-G179 VanDerWaalsContact O-N 3.12Å; Y177-V180 PolarHBondContact N-O 3.32Å; Y177-V180 PolarHBondContact O-N 3.45Å; Y177-M182 HydrophobicContact CG-CE 4.28Å
178K41.7Very low64.2Low181 Ų18167.5 Ų67.579%0.78737%0.367SS*.THydrogen-bonded Turntrans48.638-177.3-62.2-174.3176.2-175.10114V180K178-V180 VanDerWaalsContact C-N 3.33Å; K178-V180 PolarHBondContact O-N 3.41Å
179G49Very low63.8Low74 Ų7464.8 Ų64.876%0.76336%0.357SS*.THydrogen-bonded Turntrans82.9-3.1178.500000115.9Y177Y177-G179 PolarHBondContact O-N 3.06Å; Y177-G179 VanDerWaalsContact O-N 3.12Å
180V52Low63.2Low77 Ų7763.8 Ų63.847%0.46736%0.355SS..EExtended strand (participates in β ladder)trans-99.7133175.6-175.60000109.9A176 Y177 K178 T187A176-V180 WeakPolarHBondContact CA-O 3.33Å; Y177-V180 PolarHBondContact N-O 3.32Å; Y177-V180 PolarHBondContact O-N 3.45Å; K178-V180 VanDerWaalsContact C-N 3.33Å; K178-V180 PolarHBondContact O-N 3.41Å; V180-T187 HydrophobicContact CG1-CG2 3.79Å
181L58.5Low62.3Low59 Ų5965 Ų6531%0.30936%0.361SS..EExtended strand (participates in β ladder)trans-89.1127.3-178.8-67.5139.9000110.1I174 V203I174-L181 HydrophobicContact CG2-CB 4.42Å; I174-L181 HydrophobicContact CG2-CD2 3.81Å; L181-V203 HydrophobicContact CB-CG2 3.74Å; L181-V203 HydrophobicContact CD1-CB 4.16Å; L181-V203 HydrophobicContact CD1-CG1 3.62Å; L181-V203 HydrophobicContact CD1-CG2 3.78Å; L181-V203 HydrophobicContact CD2-CG1 3.78Å; L181-V203 HydrophobicContact CD2-CG2 3.93Å; L181-V203 HydrophobicContact CG-CG1 4.24Å; L181-V203 HydrophobicContact CG-CG2 3.99Å
182M60.1Low61.6Low37 Ų3763 Ų6318%0.18236%0.355CS..EExtended strand (participates in β ladder)trans-130151.7-178.2-66.7-176.5-67.300110.9I174 H175 Y177 E186 T187I174-M182 WeakPolarHBondContact CA-O 3.45Å; H175-M182 PolarHBondContact N-O 2.86Å; H175-M182 PolarHBondContact O-N 3.31Å; Y177-M182 HydrophobicContact CG-CE 4.28Å; M182-E186 WeakPolarHBondContact CA-O 3.3Å; M182-E186 WeakPolarHBondContact CB-O 3.32Å; M182-T187 HydrophobicContact CG-CG2 3.81Å; M182-T187 HydrophobicContact SD-CG2 4.3Å
183V61Low60.9Low17 Ų1769.7 Ų69.710%0.10339%0.385CS..EExtended strand (participates in β ladder)trans-119.3110.2169.9178.10000107.2I161 P162 I174 N185 E186 I199 L202I161-V183 HydrophobicContact CG2-CG1 3.54Å; P162-V183 HydrophobicContact CG-CG1 4.43Å; I174-V183 HydrophobicContact CD1-CG2 4.41Å; I174-V183 HydrophobicContact CG1-CG2 3.99Å; V183-N185 PolarHBondContact O-N 3.12Å; V183-E186 PolarHBondContact N-O 3.11Å; V183-I199 HydrophobicContact CB-CD1 4.04Å; V183-I199 HydrophobicContact CG2-CD1 4.1Å; V183-I199 HydrophobicContact CG2-CG2 3.86Å; V183-L202 HydrophobicContact CG2-CD2 3.74Å
184G67Low60.5Low34 Ų3471.7 Ų71.735%0.35141%0.407SS..THydrogen-bonded Turntrans65-125.6-159.400000110.5
185N64.4Low60.5Low161 Ų16173.7 Ų73.786%0.86142%0.423SS*.THydrogen-bonded Turntrans-107.74.6-178.9-74.3-3.6000114.2V183V183-N185 PolarHBondContact O-N 3.12Å
186E64.2Low60.8Low94 Ų9477.3 Ų77.344%0.43943%0.433SS..BIsolated β-bridgetrans-108.9152.7-178.2-61.8-157.3173.500112.2M182 V183 R196 I199M182-E186 WeakPolarHBondContact CA-O 3.3Å; M182-E186 WeakPolarHBondContact CB-O 3.32Å; V183-E186 PolarHBondContact N-O 3.11Å; E186-R196 IonicContact OE2-NH2 3.73Å; E186-I199 WeakPolarHBondContact O-CD1 3.23Å
187T64.1Low61.7Low67 Ų6777.9 Ų77.941%0.41142%0.421SS..SBendtrans-102.3-10.4177.351.60000113.3V180 M182 I199V180-T187 HydrophobicContact CG1-CG2 3.79Å; M182-T187 HydrophobicContact CG-CG2 3.81Å; M182-T187 HydrophobicContact SD-CG2 4.3Å; T187-I199 WeakPolarHBondContact O-CB 3.17Å; T187-I199 VanDerWaalsContact O-CG1 3.24Å; T187-I199 WeakPolarHBondContact O-CG1 3.32Å; T187-I199 PolarHBondContact O-N 2.86Å
188T66.4Low62.8Low36 Ų3675.4 Ų75.422%0.22142%0.418CS..EExtended strand (participates in β ladder)trans-127151.6176.761.50000109.2K197T188-K197 CarbonylContact C-O 3.55Å; T188-K197 VanDerWaalsContact CA-O 3.29Å; T188-K197 WeakPolarHBondContact CA-O 3.3Å
189Y69.7Low64.1Low22 Ų2267 Ų679%0.08638%0.381CS..EExtended strand (participates in β ladder)trans-127.315017375.1-85.3000110.2D191 R196 K197 I199 L202Y189-D191 HydrophobicContact CE2-CB 4.29Å; Y189-R196 CarbonylContact O-C 3.59Å; Y189-R196 WeakPolarHBondContact O-CA 3.5Å; Y189-K197 HydrophobicContact CD1-CB 4.39Å; Y189-K197 HydrophobicContact CE1-CB 3.82Å; Y189-K197 HydrophobicContact CE2-CB 4.45Å; Y189-K197 PolarHBondContact N-O 3.07Å; Y189-K197 PolarHBondContact O-N 3.27Å; Y189-I199 HydrophobicContact CD1-CG1 4.18Å; Y189-L202 HydrophobicContact CD1-CD1 4.48Å; Y189-L202 HydrophobicContact CE1-CD1 4.09Å
190E69.3Low64.7Low57 Ų5767.5 Ų67.527%0.26637%0.37SS..EExtended strand (participates in β ladder)trans-90.1130174-161.6-177.1167.300109.1Y118 G192 G194 S195Y118-E190 WeakPolarHBondContact OH-CA 3.3Å; Y118-E190 VanDerWaalsContact OH-CB 3.25Å; Y118-E190 WeakPolarHBondContact OH-CB 3.29Å; Y118-E190 PolarHBondContact OH-N 2.87Å; Y118-E190 PolarHBondContact OH-O 2.89Å; E190-G192 PolarHBondContact O-N 3.43Å; E190-G194 WeakPolarHBondContact OE1-CA 3.39Å; E190-S195 WeakPolarHBondContact CA-O 3.39Å
191D65.6Low65.2Low27 Ų2768.2 Ų68.214%0.14437%0.371CS..  trans-805.1-175.268.9-0.1000114.5Y189 H193 S195 K197Y189-D191 HydrophobicContact CE2-CB 4.29Å; D191-H193 VanDerWaalsContact C-N 3.29Å; D191-H193 PolarHBondContact OD1-N 2.89Å; D191-S195 PolarHBondContact N-O 3.43Å; D191-S195 PolarHBondContact OD1-N 2.79Å; D191-K197 HydrophobicContact CB-CD 4.35Å; D191-K197 VanDerWaalsContact OD2-CE 3.3Å; D191-K197 WeakPolarHBondContact OD2-CE 3.07Å; D191-K197 IonicContact OD2-NZ 2.76Å; D191-K197 PolarHBondContact OD2-NZ 3.5Å
192G62.2Low65.4Low9 Ų966 Ų669%0.09336%0.359CS..SBendtrans82.4-0.7-178.200000114.7E190E190-G192 PolarHBondContact O-N 3.43Å
193H62.6Low65.3Low154 Ų15464.7 Ų64.771%0.71335%0.354SS*.SBendtrans-110.917.6172.4-70.6-69.7000112.8D191D191-H193 VanDerWaalsContact C-N 3.29Å; D191-H193 PolarHBondContact OD1-N 2.89Å
194G63.9Low65.1Low56 Ų5672 Ų7258%0.57739%0.386SS*.SBendtrans83.55.4179.800000114.9E190E190-G194 WeakPolarHBondContact OE1-CA 3.39Å
195S67.3Low64.3Low63 Ų6372 Ų7244%0.44139%0.386SS..  trans-104.5129178.1-67.20000111.5E190 D191E190-S195 WeakPolarHBondContact CA-O 3.39Å; D191-S195 PolarHBondContact N-O 3.43Å; D191-S195 PolarHBondContact OD1-N 2.79Å
196R69.9Low63.8Low172 Ų17264.6 Ų64.665%0.64935%0.348SS*.EExtended strand (participates in β ladder)trans-88.1127.3173.9-74.4-176.5128.8167.8-3.4110.8E186 Y189E186-R196 IonicContact OE2-NH2 3.73Å; Y189-R196 CarbonylContact O-C 3.59Å; Y189-R196 WeakPolarHBondContact O-CA 3.5Å
197K70.8Confident63.3Low88 Ų8867.9 Ų67.938%0.38336%0.361SS..EExtended strand (participates in β ladder)trans-118152.4178.7-67.8-178.6176.6153.70111T188 Y189 D191T188-K197 CarbonylContact C-O 3.55Å; T188-K197 VanDerWaalsContact CA-O 3.29Å; T188-K197 WeakPolarHBondContact CA-O 3.3Å; Y189-K197 HydrophobicContact CD1-CB 4.39Å; Y189-K197 HydrophobicContact CE1-CB 3.82Å; Y189-K197 HydrophobicContact CE2-CB 4.45Å; Y189-K197 PolarHBondContact N-O 3.07Å; Y189-K197 PolarHBondContact O-N 3.27Å; D191-K197 HydrophobicContact CB-CD 4.35Å; D191-K197 VanDerWaalsContact OD2-CE 3.3Å; D191-K197 WeakPolarHBondContact OD2-CE 3.07Å; D191-K197 IonicContact OD2-NZ 2.76Å; D191-K197 PolarHBondContact OD2-NZ 3.5Å
198N69.3Low62.6Low98 Ų9872.5 Ų72.552%0.52438%0.375SS..EExtended strand (participates in β ladder)trans-73.1142.8177.4-84.9-29.9000111.1T200 D201N198-T200 WeakPolarHBondContact CB-OG1 3.36Å; N198-T200 PolarHBondContact O-N 3.47Å; N198-T200 VanDerWaalsContact O-N 3.15Å; N198-D201 PolarHBondContact O-N 2.99Å
199I68.4Low61.7Low4 Ų471.3 Ų71.32%0.02137%0.369CS..THydrogen-bonded Turntrans-66.2-15.9178.8-71.3176.1000112.3V183 E186 T187 Y189 D201 L202 V203V183-I199 HydrophobicContact CB-CD1 4.04Å; V183-I199 HydrophobicContact CG2-CD1 4.1Å; V183-I199 HydrophobicContact CG2-CG2 3.86Å; E186-I199 WeakPolarHBondContact O-CD1 3.23Å; T187-I199 WeakPolarHBondContact O-CB 3.17Å; T187-I199 VanDerWaalsContact O-CG1 3.24Å; T187-I199 WeakPolarHBondContact O-CG1 3.32Å; T187-I199 PolarHBondContact O-N 2.86Å; Y189-I199 HydrophobicContact CD1-CG1 4.18Å; I199-D201 PolarHBondContact O-N 3.44Å; I199-D201 VanDerWaalsContact O-N 3.16Å; I199-L202 HydrophobicContact CG2-CB 4.41Å; I199-L202 WeakPolarHBondContact O-CA 3.49Å; I199-L202 WeakPolarHBondContact O-CB 3.32Å; I199-L202 PolarHBondContact O-N 3.34Å; I199-V203 HydrophobicContact CG2-CG2 3.91Å; I199-V203 WeakPolarHBondContact O-CG2 3.45Å; I199-V203 PolarHBondContact O-N 3.49Å
200T63.1Low60.9Low85 Ų8574 Ų7452%0.52139%0.385SS..Hα-helixtrans-52.7-35.4174.149.50000113.1N198 L202 V203N198-T200 WeakPolarHBondContact CB-OG1 3.36Å; N198-T200 PolarHBondContact O-N 3.47Å; N198-T200 VanDerWaalsContact O-N 3.15Å; T200-L202 VanDerWaalsContact C-N 3.27Å; T200-L202 PolarHBondContact O-N 3.36Å; T200-V203 PolarHBondContact O-N 3.26Å
201D61.8Low60.2Low93 Ų9373 Ų7350%0.49739%0.39SS..Hα-helixtrans-71.7-23.7178.4-58.7-13.6000112.3N198 I199N198-D201 PolarHBondContact O-N 2.99Å; I199-D201 PolarHBondContact O-N 3.44Å; I199-D201 VanDerWaalsContact O-N 3.16Å
202L62Low59.6Low11 Ų1175.4 Ų75.46%0.05841%0.405CS..Hα-helixtrans-80.4-25175.1-143.490.4000112.1V91 I161 P172 I174 V183 Y189 I199 T200V91-L202 HydrophobicContact CG2-CD1 3.28Å; V91-L202 HydrophobicContact CG2-CG 4.43Å; I161-L202 HydrophobicContact CD1-CD1 4.02Å; I161-L202 HydrophobicContact CD1-CD2 4.49Å; I161-L202 HydrophobicContact CG2-CD2 4.38Å; P172-L202 HydrophobicContact CB-CD2 3.72Å; P172-L202 HydrophobicContact CG-CD2 3.9Å; P172-L202 HydrophobicContact CG-CG 4.47Å; I174-L202 HydrophobicContact CD1-CD2 4.38Å; V183-L202 HydrophobicContact CG2-CD2 3.74Å; Y189-L202 HydrophobicContact CD1-CD1 4.48Å; Y189-L202 HydrophobicContact CE1-CD1 4.09Å; I199-L202 HydrophobicContact CG2-CB 4.41Å; I199-L202 WeakPolarHBondContact O-CA 3.49Å; I199-L202 WeakPolarHBondContact O-CB 3.32Å; I199-L202 PolarHBondContact O-N 3.34Å; T200-L202 VanDerWaalsContact C-N 3.27Å; T200-L202 PolarHBondContact O-N 3.36Å
203V58.2Low59.3Low11 Ų1177.3 Ų77.37%0.06741%0.413CS..Hα-helixtrans-79.2-30.5-165.2168.80000112.7I174 L181 I199 T200 G205 A206 K207I174-V203 HydrophobicContact CD1-CB 4.43Å; I174-V203 HydrophobicContact CD1-CG2 3.82Å; I174-V203 HydrophobicContact CG2-CG2 4.36Å; L181-V203 HydrophobicContact CB-CG2 3.74Å; L181-V203 HydrophobicContact CD1-CB 4.16Å; L181-V203 HydrophobicContact CD1-CG1 3.62Å; L181-V203 HydrophobicContact CD1-CG2 3.78Å; L181-V203 HydrophobicContact CD2-CG1 3.78Å; L181-V203 HydrophobicContact CD2-CG2 3.93Å; L181-V203 HydrophobicContact CG-CG1 4.24Å; L181-V203 HydrophobicContact CG-CG2 3.99Å; I199-V203 HydrophobicContact CG2-CG2 3.91Å; I199-V203 WeakPolarHBondContact O-CG2 3.45Å; I199-V203 PolarHBondContact O-N 3.49Å; T200-V203 PolarHBondContact O-N 3.26Å; V203-G205 VanDerWaalsContact C-N 3.25Å; V203-G205 PolarHBondContact O-N 2.97Å; V203-A206 PolarHBondContact O-N 2.91Å; V203-K207 HydrophobicContact CG1-CB 4.18Å; V203-K207 WeakPolarHBondContact O-CB 3.47Å; V203-K207 PolarHBondContact O-N 2.98Å
204E57.1Low59.2Low169 Ų16976 Ų7679%0.7941%0.407SS*.Hα-helixtrans-64.1-32.5-176-161.1167.4-17300112.3
205G51.3Low58.9Low34 Ų3475.9 Ų75.935%0.35140%0.401SS..Hα-helixtrans-82.2-37.5173.400000114.5V203V203-G205 VanDerWaalsContact C-N 3.25Å; V203-G205 PolarHBondContact O-N 2.97Å
206A52.4Low58.7Low6 Ų679.7 Ų79.75%0.0541%0.406CS..Hα-helixtrans-89.8-21.6-172.900000114.7I174 V203 K208 A209 N210I174-A206 HydrophobicContact CD1-CB 3.24Å; I174-A206 HydrophobicContact CG1-CB 3.73Å; V203-A206 PolarHBondContact O-N 2.91Å; A206-K208 PolarHBondContact O-N 3Å; A206-A209 WeakPolarHBondContact O-CB 3.24Å; A206-A209 PolarHBondContact O-N 3.48Å; A206-N210 PolarHBondContact O-N 3.37Å; A206-N210 VanDerWaalsContact O-N 3.08Å
207K53.2Low58.6Low164 Ų16477 Ų7771%0.71340%0.401SS*.Hα-helixtrans-58.6-35.8172.4-172.8175.4-179.2178.50111.8V203V203-K207 HydrophobicContact CG1-CB 4.18Å; V203-K207 WeakPolarHBondContact O-CB 3.47Å; V203-K207 PolarHBondContact O-N 2.98Å
208K49.6Very low58.6Low164 Ų16476.1 Ų76.171%0.71340%0.4SS*.Hα-helixtrans-69.5-38.5173.2-69.8-178.2-178172.60112A206 G211 V212A206-K208 PolarHBondContact O-N 3Å; K208-G211 PolarHBondContact O-N 2.99Å; K208-V212 VanDerWaalsContact O-CG2 3.29Å; K208-V212 WeakPolarHBondContact O-CG2 3.14Å; K208-V212 PolarHBondContact O-N 3.45Å
209A47.9Very low58.4Low11 Ų1174 Ų749%0.09140%0.395CS..Hα-helixtrans-66.4-41-178.500000112.9L166 F171 A206 G211 V212 L213L166-A209 HydrophobicContact CD2-CB 3.55Å; L166-A209 WeakPolarHBondContact CD2-O 3.4Å; F171-A209 HydrophobicContact CB-CB 4.24Å; F171-A209 HydrophobicContact CD1-CB 3.7Å; F171-A209 HydrophobicContact CE1-CB 4.15Å; F171-A209 HydrophobicContact CG-CB 3.93Å; A206-A209 WeakPolarHBondContact O-CB 3.24Å; A206-A209 PolarHBondContact O-N 3.48Å; A209-G211 PolarHBondContact O-N 3.19Å; A209-V212 WeakPolarHBondContact O-CB 3.2Å; A209-V212 PolarHBondContact O-N 3.37Å; A209-V212 VanDerWaalsContact O-N 3.15Å; A209-L213 PolarHBondContact O-N 3.47Å
210N52.8Low58.6Low78 Ų7878.6 Ų78.642%0.41742%0.418SS..Hα-helixtrans-65.1-40.2178-16144.4000112.1A206 V212 L213 E214A206-N210 PolarHBondContact O-N 3.37Å; A206-N210 VanDerWaalsContact O-N 3.08Å; N210-V212 VanDerWaalsContact C-N 3.27Å; N210-V212 PolarHBondContact O-N 3.38Å; N210-L213 WeakPolarHBondContact O-CB 3.03Å; N210-L213 PolarHBondContact O-N 3.28Å; N210-L213 VanDerWaalsContact O-N 3.12Å; N210-E214 PolarHBondContact O-N 3.48Å
211G54.1Low59.2Low36 Ų3680.3 Ų80.337%0.37142%0.415SS..Hα-helixtrans-62-32172.400000113.5K208 A209 L213 A215K208-G211 PolarHBondContact O-N 2.99Å; A209-G211 PolarHBondContact O-N 3.19Å; G211-L213 VanDerWaalsContact C-N 3.34Å; G211-A215 VanDerWaalsContact O-CB 3.28Å; G211-A215 WeakPolarHBondContact O-CB 3.29Å; G211-A215 PolarHBondContact O-N 3.33Å
212V53.5Low60.1Low77 Ų7777.7 Ų77.747%0.46740%0.4SS..Hα-helixtrans-69.1-31.4175174.60000111.8L166 K208 A209 N210 R216L166-V212 HydrophobicContact CD1-CB 4.33Å; L166-V212 HydrophobicContact CD1-CG1 3.98Å; L166-V212 HydrophobicContact CD2-CB 4.11Å; L166-V212 HydrophobicContact CD2-CG1 4.2Å; L166-V212 HydrophobicContact CG-CG1 4.32Å; K208-V212 VanDerWaalsContact O-CG2 3.29Å; K208-V212 WeakPolarHBondContact O-CG2 3.14Å; K208-V212 PolarHBondContact O-N 3.45Å; A209-V212 WeakPolarHBondContact O-CB 3.2Å; A209-V212 PolarHBondContact O-N 3.37Å; A209-V212 VanDerWaalsContact O-N 3.15Å; N210-V212 VanDerWaalsContact C-N 3.27Å; N210-V212 PolarHBondContact O-N 3.38Å; V212-R216 WeakPolarHBondContact O-CB 3.47Å; V212-R216 PolarHBondContact O-N 3.16Å
213L55.5Low61Low49 Ų4983.3 Ų83.326%0.25743%0.425SS..Hα-helixtrans-67.7-47.2176.4-173.166.3000111.5L166 A209 N210 G211 R216 Q217L166-L213 HydrophobicContact CD1-CB 3.93Å; L166-L213 HydrophobicContact CD1-CD1 4.03Å; A209-L213 PolarHBondContact O-N 3.47Å; N210-L213 WeakPolarHBondContact O-CB 3.03Å; N210-L213 PolarHBondContact O-N 3.28Å; N210-L213 VanDerWaalsContact O-N 3.12Å; G211-L213 VanDerWaalsContact C-N 3.34Å; L213-R216 PolarHBondContact O-N 3.03Å; L213-Q217 PolarHBondContact O-N 3.43Å; L213-Q217 VanDerWaalsContact O-N 3.1Å
214E60.7Low62Low126 Ų12687.4 Ų87.459%0.58944%0.443SS*.Hα-helixtrans-62.1-44.1175.3-68.4179.6174.500111N210 R216 Q217 L218N210-E214 PolarHBondContact O-N 3.48Å; E214-R216 VanDerWaalsContact C-N 3.3Å; E214-R216 PolarHBondContact O-N 3.37Å; E214-Q217 PolarHBondContact O-N 3.03Å; E214-L218 WeakPolarHBondContact O-CB 3.41Å; E214-L218 PolarHBondContact O-N 3.19Å
215A59.2Low63.2Low55 Ų5579.5 Ų79.546%0.45541%0.406SS..Hα-helixtrans-61.2-36.1175.600000112.8G211 A219G211-A215 VanDerWaalsContact O-CB 3.28Å; G211-A215 WeakPolarHBondContact O-CB 3.29Å; G211-A215 PolarHBondContact O-N 3.33Å; A215-A219 WeakPolarHBondContact O-CB 3.38Å; A215-A219 PolarHBondContact O-N 2.97Å
216R62.9Low64.9Low143 Ų14381.8 Ų81.854%0.5441%0.405SS..Hα-helixtrans-69.1-42.1176.7-175.4179.7179.3-168.70.1112.3V212 L213 E214 L218 A219 M220V212-R216 WeakPolarHBondContact O-CB 3.47Å; V212-R216 PolarHBondContact O-N 3.16Å; L213-R216 PolarHBondContact O-N 3.03Å; E214-R216 VanDerWaalsContact C-N 3.3Å; E214-R216 PolarHBondContact O-N 3.37Å; R216-L218 VanDerWaalsContact C-N 3.33Å; R216-A219 PolarHBondContact O-N 3.38Å; R216-M220 WeakPolarHBondContact O-CG 3.19Å; R216-M220 PolarHBondContact O-N 2.93Å
217Q66Low66.4Low116 Ų11684.9 Ų84.954%0.54242%0.423SS..Hα-helixtrans-63.7-42.4175.8-71.8179.8-12.700111.1L213 E214 A219 M220 R221L213-Q217 PolarHBondContact O-N 3.43Å; L213-Q217 VanDerWaalsContact O-N 3.1Å; E214-Q217 PolarHBondContact O-N 3.03Å; Q217-A219 VanDerWaalsContact C-N 3.34Å; Q217-A219 PolarHBondContact O-N 3.5Å; Q217-M220 PolarHBondContact O-N 3.16Å; Q217-R221 PolarHBondContact O-N 3.05Å
218L70.8Confident68Low69 Ų6980.4 Ų80.436%0.36141%0.409SS..Hα-helixtrans-58.1-46.1171.8179.564.1000111.3E214 R216 M220 R221 I222 Y635E214-L218 WeakPolarHBondContact O-CB 3.41Å; E214-L218 PolarHBondContact O-N 3.19Å; R216-L218 VanDerWaalsContact C-N 3.33Å; L218-M220 PolarHBondContact O-N 3.39Å; L218-R221 PolarHBondContact O-N 3.04Å; L218-I222 HydrophobicContact CD1-CD1 4.14Å; L218-I222 HydrophobicContact CD1-CG1 4.46Å; L218-I222 HydrophobicContact CG-CD1 3.85Å; L218-I222 WeakPolarHBondContact O-CB 3.35Å; L218-I222 VanDerWaalsContact O-CG1 3.3Å; L218-I222 WeakPolarHBondContact O-CG1 3.3Å; L218-I222 PolarHBondContact O-N 3.41Å; L218-Y635 HydrophobicContact CD1-CD2 4.39Å; L218-Y635 HydrophobicContact CD1-CE2 3.78Å
219A66.6Low69.9Low52 Ų5272.6 Ų72.643%0.4338%0.375SS..Hα-helixtrans-62-38179.300000113.4A215 R216 Q217 I222 F223A215-A219 WeakPolarHBondContact O-CB 3.38Å; A215-A219 PolarHBondContact O-N 2.97Å; R216-A219 PolarHBondContact O-N 3.38Å; Q217-A219 VanDerWaalsContact C-N 3.34Å; Q217-A219 PolarHBondContact O-N 3.5Å; A219-I222 PolarHBondContact O-N 3.07Å; A219-F223 WeakPolarHBondContact O-CB 3.48Å; A219-F223 PolarHBondContact O-N 3.21Å
220M71.6Confident71.9Confident101 Ų10179.4 Ų79.450%0.49840%0.399SS..Hα-helixtrans-64.6-45.5176.3-73.4-63.4-58.200111.9R216 Q217 L218 I222 F223 E224R216-M220 WeakPolarHBondContact O-CG 3.19Å; R216-M220 PolarHBondContact O-N 2.93Å; Q217-M220 PolarHBondContact O-N 3.16Å; L218-M220 PolarHBondContact O-N 3.39Å; M220-I222 VanDerWaalsContact C-N 3.32Å; M220-I222 PolarHBondContact O-N 3.17Å; M220-F223 WeakPolarHBondContact O-CB 3.46Å; M220-F223 PolarHBondContact O-N 3.26Å; M220-F223 VanDerWaalsContact O-N 3.16Å; M220-E224 PolarHBondContact O-N 2.88Å
221R76.8Confident73.8Confident121 Ų12180.3 Ų80.346%0.45740%0.397SS..Hα-helixtrans-62.8-39.7175.7-68.2179.1-179.3171.6-0.3112Q217 L218 F223 E224 D225 N634 Y635Q217-R221 PolarHBondContact O-N 3.05Å; L218-R221 PolarHBondContact O-N 3.04Å; R221-F223 VanDerWaalsContact C-N 3.33Å; R221-F223 PolarHBondContact O-N 2.59Å; R221-E224 PolarHBondContact O-N 3.27Å; R221-D225 VanDerWaalsContact O-CG 3.3Å; R221-D225 PolarHBondContact O-N 3.21Å; R221-N634 HydrophobicContact CB-CB 4.46Å; R221-Y635 HydrophobicContact CB-CD2 4.23Å; R221-Y635 HydrophobicContact CB-CE2 3.79Å; R221-Y635 HydrophobicContact CG-CE2 4.47Å; R221-Y635 PolarHBondContact NH1-OH 3.3Å
222I79.7Confident75.5Confident38 Ų3881.1 Ų81.120%0.19539%0.389CS..Hα-helixtrans-61-42.4173.2-74.4171.7000111.3L218 A219 M220 D225 Y226 V638L218-I222 HydrophobicContact CD1-CD1 4.14Å; L218-I222 HydrophobicContact CD1-CG1 4.46Å; L218-I222 HydrophobicContact CG-CD1 3.85Å; L218-I222 WeakPolarHBondContact O-CB 3.35Å; L218-I222 VanDerWaalsContact O-CG1 3.3Å; L218-I222 WeakPolarHBondContact O-CG1 3.3Å; L218-I222 PolarHBondContact O-N 3.41Å; A219-I222 PolarHBondContact O-N 3.07Å; M220-I222 VanDerWaalsContact C-N 3.32Å; M220-I222 PolarHBondContact O-N 3.17Å; I222-D225 PolarHBondContact O-N 3.43Å; I222-Y226 HydrophobicContact CG2-CD2 3.67Å; I222-Y226 HydrophobicContact CG2-CE2 3.47Å; I222-Y226 VanDerWaalsContact CG2-CE2 3.47Å; I222-Y226 WeakPolarHBondContact O-CD2 3.34Å; I222-Y226 PolarHBondContact O-N 3.29Å; I222-V638 HydrophobicContact CD1-CG2 4.44Å; I222-V638 HydrophobicContact CG1-CG1 4.43Å; I222-V638 HydrophobicContact CG1-CG2 4.03Å; I222-V638 HydrophobicContact CG2-CG1 4Å
223F80.7Confident77.4Confident130 Ų13078 Ų7857%0.5737%0.37SS*.Hα-helixtrans-63.8-44178.6-179.7-97.4000111.7A219 M220 R221 D225 Y226 T227A219-F223 WeakPolarHBondContact O-CB 3.48Å; A219-F223 PolarHBondContact O-N 3.21Å; M220-F223 WeakPolarHBondContact O-CB 3.46Å; M220-F223 PolarHBondContact O-N 3.26Å; M220-F223 VanDerWaalsContact O-N 3.16Å; R221-F223 VanDerWaalsContact C-N 3.33Å; R221-F223 PolarHBondContact O-N 2.59Å; F223-D225 VanDerWaalsContact C-N 3.35Å; F223-D225 PolarHBondContact O-N 3.33Å; F223-Y226 WeakPolarHBondContact O-CB 3.34Å; F223-Y226 PolarHBondContact O-N 3.28Å; F223-T227 HydrophobicContact CD1-CG2 4.09Å; F223-T227 HydrophobicContact CE1-CG2 3.64Å; F223-T227 HydrophobicContact CE2-CG2 4.33Å; F223-T227 HydrophobicContact CZ-CG2 3.77Å; F223-T227 WeakPolarHBondContact O-CG2 3.36Å; F223-T227 PolarHBondContact O-N 3.42Å
224E78.9Confident79.1Confident97 Ų9780 Ų8045%0.45338%0.38SS..Hα-helixtrans-58.9-44.3172.9-71.3171.6-173.500111.9M220 R221 Y226 T227 V228M220-E224 PolarHBondContact O-N 2.88Å; R221-E224 PolarHBondContact O-N 3.27Å; E224-Y226 VanDerWaalsContact C-N 3.27Å; E224-Y226 PolarHBondContact O-N 3.11Å; E224-T227 PolarHBondContact O-N 2.88Å; E224-T227 PolarHBondContact O-OG1 3.32Å; E224-V228 WeakPolarHBondContact O-CG2 3.48Å; E224-V228 PolarHBondContact O-N 3.38Å
225D84.1Confident80.6Confident3 Ų377.6 Ų77.62%0.01637%0.37CS..Hα-helixtrans-60.6-37.4176.3-70.5-13.8000111.5R221 I222 F223 S229 L633 N634 Y635R221-D225 VanDerWaalsContact O-CG 3.3Å; R221-D225 PolarHBondContact O-N 3.21Å; I222-D225 PolarHBondContact O-N 3.43Å; F223-D225 VanDerWaalsContact C-N 3.35Å; F223-D225 PolarHBondContact O-N 3.33Å; D225-S229 VanDerWaalsContact O-CB 3.27Å; D225-S229 WeakPolarHBondContact O-CB 3.3Å; D225-S229 PolarHBondContact O-N 2.8Å; D225-S229 PolarHBondContact O-OG 3.48Å; D225-L633 HydrophobicContact CB-CD2 3.99Å; D225-N634 WeakPolarHBondContact OD1-CB 3.35Å; D225-N634 PolarHBondContact OD1-N 2.78Å; D225-N634 PolarHBondContact OD1-ND2 2.98Å; D225-Y635 PolarHBondContact OD2-N 3.19Å
226Y85.9Confident82.2Confident81 Ų8175.6 Ų75.632%0.31836%0.355SS..Hα-helixtrans-69.2-43.9175.8-83.8-59.7000113.6I222 F223 E224 V228 S229 W230 I233 V638 T642I222-Y226 HydrophobicContact CG2-CD2 3.67Å; I222-Y226 HydrophobicContact CG2-CE2 3.47Å; I222-Y226 VanDerWaalsContact CG2-CE2 3.47Å; I222-Y226 WeakPolarHBondContact O-CD2 3.34Å; I222-Y226 PolarHBondContact O-N 3.29Å; F223-Y226 WeakPolarHBondContact O-CB 3.34Å; F223-Y226 PolarHBondContact O-N 3.28Å; E224-Y226 VanDerWaalsContact C-N 3.27Å; E224-Y226 PolarHBondContact O-N 3.11Å; Y226-V228 PolarHBondContact O-N 2.94Å; Y226-S229 PolarHBondContact O-N 3.15Å; Y226-W230 WeakPolarHBondContact O-CB 3.46Å; Y226-W230 PolarHBondContact O-N 3.47Å; Y226-I233 HydrophobicContact CD1-CD1 3.7Å; Y226-I233 HydrophobicContact CE1-CD1 3.77Å; Y226-V638 HydrophobicContact CE2-CG1 4.02Å; Y226-T642 HydrophobicContact CE1-CG2 3.99Å; Y226-T642 PolarHBondContact OH-OG1 2.96Å
227T84.8Confident83.7Confident72 Ų7270.9 Ų70.944%0.44234%0.34SS..Hα-helixtrans-63.7-26.2-178.356.50000112.2F223 E224F223-T227 HydrophobicContact CD1-CG2 4.09Å; F223-T227 HydrophobicContact CE1-CG2 3.64Å; F223-T227 HydrophobicContact CE2-CG2 4.33Å; F223-T227 HydrophobicContact CZ-CG2 3.77Å; F223-T227 WeakPolarHBondContact O-CG2 3.36Å; F223-T227 PolarHBondContact O-N 3.42Å; E224-T227 PolarHBondContact O-N 2.88Å; E224-T227 PolarHBondContact O-OG1 3.32Å
228V86.4Confident85Confident69 Ų6969.1 Ų69.142%0.41834%0.337SS..Hα-helixtrans-86.4-37.2175.2-177.70000112.1E224 Y226 P631E224-V228 WeakPolarHBondContact O-CG2 3.48Å; E224-V228 PolarHBondContact O-N 3.38Å; Y226-V228 PolarHBondContact O-N 2.94Å; V228-P631 HydrophobicContact CG1-CB 3.41Å; V228-P631 VanDerWaalsContact CG1-CB 3.41Å; V228-P631 HydrophobicContact CG1-CG 4.2Å
229S89.9Confident86Confident0 Ų069.4 Ų69.40%034%0.338CS..Hα-helixtrans-98.3-6-171.165.10000116.5D225 Y226 Y231 W232 I233 P639D225-S229 VanDerWaalsContact O-CB 3.27Å; D225-S229 WeakPolarHBondContact O-CB 3.3Å; D225-S229 PolarHBondContact O-N 2.8Å; D225-S229 PolarHBondContact O-OG 3.48Å; Y226-S229 PolarHBondContact O-N 3.15Å; S229-Y231 VanDerWaalsContact C-N 3.32Å; S229-Y231 PolarHBondContact O-N 2.99Å; S229-Y231 VanDerWaalsContact O-N 3.15Å; S229-W232 WeakPolarHBondContact O-CB 3.34Å; S229-W232 PolarHBondContact O-N 3.26Å; S229-W232 VanDerWaalsContact O-N 3.08Å; S229-I233 PolarHBondContact O-N 3.29Å; S229-I233 VanDerWaalsContact O-N 3.09Å; S229-P639 WeakPolarHBondContact OG-CG 3.48Å
230W90.1Very high87.4Confident154 Ų15467 Ų6758%0.58332%0.318SS*.Hα-helixtrans-53.6-40.2-169.969.6-82.2000114.8Y226 I233 I234Y226-W230 WeakPolarHBondContact O-CB 3.46Å; Y226-W230 PolarHBondContact O-N 3.47Å; W230-I233 WeakPolarHBondContact O-CB 3.38Å; W230-I233 PolarHBondContact O-N 2.87Å; W230-I234 HydrophobicContact CE3-CD1 3.86Å; W230-I234 HydrophobicContact CZ3-CD1 4.01Å; W230-I234 WeakPolarHBondContact O-CG1 3.42Å; W230-I234 PolarHBondContact O-N 3.4Å
231Y90.9Very high88.3Confident97 Ų9766.1 Ų66.138%0.3831%0.314SS..Hα-helixtrans-69.4-37-17872.9-89.4000111.9S229 I234 I235S229-Y231 VanDerWaalsContact C-N 3.32Å; S229-Y231 PolarHBondContact O-N 2.99Å; S229-Y231 VanDerWaalsContact O-N 3.15Å; Y231-I234 PolarHBondContact O-N 2.85Å; Y231-I235 HydrophobicContact CD2-CD1 4.24Å; Y231-I235 WeakPolarHBondContact O-CG1 3.18Å; Y231-I235 PolarHBondContact O-N 3.32Å
232W91.1Very high89Confident53 Ų5363 Ų6320%0.20131%0.314CS..Hα-helixtrans-65.7-38.6172.9-69.5119.3000112S229 I234 I235 G236 F618 F619S229-W232 WeakPolarHBondContact O-CB 3.34Å; S229-W232 PolarHBondContact O-N 3.26Å; S229-W232 VanDerWaalsContact O-N 3.08Å; W232-I234 VanDerWaalsContact C-N 3.33Å; W232-I234 PolarHBondContact O-N 3.12Å; W232-I235 HydrophobicContact CE3-CD1 3.92Å; W232-I235 HydrophobicContact CZ3-CD1 4.16Å; W232-I235 PolarHBondContact O-N 2.88Å; W232-G236 PolarHBondContact O-N 3.23Å; W232-F618 HydrophobicContact CB-CE1 4.17Å; W232-F618 AromaticContact CD2-CE1 3.75Å; W232-F618 HydrophobicContact CD2-CE1 3.75Å; W232-F618 HydrophobicContact CD2-CE2 4.33Å; W232-F618 AromaticContact CD2-CZ 3.34Å; W232-F618 HydrophobicContact CD2-CZ 3.34Å; W232-F618 AromaticContact CE2-CZ 3.52Å; W232-F618 HydrophobicContact CE3-CE1 4.03Å; W232-F618 HydrophobicContact CE3-CE2 4Å; W232-F618 AromaticContact CE3-CZ 3.42Å; W232-F618 HydrophobicContact CE3-CZ 3.42Å; W232-F618 VanDerWaalsContact CE3-CZ 3.42Å; W232-F618 AromaticContact CG-CE1 3.82Å; W232-F618 HydrophobicContact CG-CE1 3.82Å; W232-F618 AromaticContact CG-CZ 3.92Å; W232-F618 HydrophobicContact CG-CZ 3.92Å; W232-F618 HydrophobicContact CH2-CE2 4.15Å; W232-F618 AromaticContact CH2-CZ 3.91Å; W232-F618 HydrophobicContact CH2-CZ 3.91Å; W232-F618 HydrophobicContact CZ2-CE2 4.45Å; W232-F618 AromaticContact CZ2-CZ 3.84Å; W232-F618 HydrophobicContact CZ2-CZ 3.84Å; W232-F618 AromaticContact CZ3-CE2 3.9Å; W232-F618 HydrophobicContact CZ3-CE2 3.9Å; W232-F618 AromaticContact CZ3-CZ 3.7Å; W232-F618 HydrophobicContact CZ3-CZ 3.7Å; W232-F619 HydrophobicContact CB-CE1 4.38Å; W232-F619 HydrophobicContact CB-CZ 4.09Å
233I92Very high89.6Confident12 Ų1263.5 Ų63.56%0.06232%0.316CS..Hα-helixtrans-59.7-47173.8-63.8171.5000109.5Y226 S229 W230 I235 G236 L237 P639 T642 V643Y226-I233 HydrophobicContact CD1-CD1 3.7Å; Y226-I233 HydrophobicContact CE1-CD1 3.77Å; S229-I233 PolarHBondContact O-N 3.29Å; S229-I233 VanDerWaalsContact O-N 3.09Å; W230-I233 WeakPolarHBondContact O-CB 3.38Å; W230-I233 PolarHBondContact O-N 2.87Å; I233-I235 PolarHBondContact O-N 3.5Å; I233-G236 PolarHBondContact O-N 3.44Å; I233-L237 HydrophobicContact CG2-CD1 4.27Å; I233-L237 WeakPolarHBondContact O-CG 3.27Å; I233-L237 PolarHBondContact O-N 2.89Å; I233-P639 HydrophobicContact CD1-CB 4Å; I233-P639 HydrophobicContact CG1-CB 4.08Å; I233-T642 HydrophobicContact CG2-CG2 4.08Å; I233-V643 HydrophobicContact CB-CG2 4.3Å; I233-V643 HydrophobicContact CG1-CG2 4.29Å; I233-V643 HydrophobicContact CG2-CG2 4.01Å
234I92.7Very high90.1Very high90 Ų9057.4 Ų57.446%0.46229%0.29SS..Hα-helixtrans-60.5-44.6177.6-69.6-174.2000111.5W230 Y231 W232 G236 L237 V238W230-I234 HydrophobicContact CE3-CD1 3.86Å; W230-I234 HydrophobicContact CZ3-CD1 4.01Å; W230-I234 WeakPolarHBondContact O-CG1 3.42Å; W230-I234 PolarHBondContact O-N 3.4Å; Y231-I234 PolarHBondContact O-N 2.85Å; W232-I234 VanDerWaalsContact C-N 3.33Å; W232-I234 PolarHBondContact O-N 3.12Å; I234-G236 VanDerWaalsContact C-N 3.31Å; I234-G236 PolarHBondContact O-N 2.91Å; I234-L237 PolarHBondContact O-N 3.44Å; I234-L237 VanDerWaalsContact O-N 3.14Å; I234-V238 HydrophobicContact CG2-CG2 4.43Å; I234-V238 WeakPolarHBondContact O-CG2 3.39Å; I234-V238 PolarHBondContact O-N 3.47Å
235I92.3Very high90.5Very high77 Ų7755.6 Ų55.640%0.39528%0.283SS..Hα-helixtrans-58.1-45.4175.9-68165.7000110.6Y231 W232 I233 L237 V238 I239Y231-I235 HydrophobicContact CD2-CD1 4.24Å; Y231-I235 WeakPolarHBondContact O-CG1 3.18Å; Y231-I235 PolarHBondContact O-N 3.32Å; W232-I235 HydrophobicContact CE3-CD1 3.92Å; W232-I235 HydrophobicContact CZ3-CD1 4.16Å; W232-I235 PolarHBondContact O-N 2.88Å; I233-I235 PolarHBondContact O-N 3.5Å; I235-L237 VanDerWaalsContact C-N 3.31Å; I235-L237 PolarHBondContact O-N 3.38Å; I235-V238 PolarHBondContact O-N 2.92Å; I235-I239 HydrophobicContact CG2-CD1 4.06Å; I235-I239 WeakPolarHBondContact O-CG1 3.03Å; I235-I239 PolarHBondContact O-N 2.85Å
236G92.4Very high90.7Very high13 Ų1360.1 Ų60.113%0.13431%0.306CS..Hα-helixtrans-58.2-40.6175.500000113.2W232 I233 I234 I239 A240W232-G236 PolarHBondContact O-N 3.23Å; I233-G236 PolarHBondContact O-N 3.44Å; I234-G236 VanDerWaalsContact C-N 3.31Å; I234-G236 PolarHBondContact O-N 2.91Å; G236-I239 PolarHBondContact O-N 3.49Å; G236-A240 PolarHBondContact O-N 3.21Å
237L93.5Very high90.8Very high44 Ų4457 Ų5723%0.2329%0.294CS..Hα-helixtrans-69.1-36176.3-64.9178.2000112.9I233 I234 I235 A240 M241 G646 I650I233-L237 HydrophobicContact CG2-CD1 4.27Å; I233-L237 WeakPolarHBondContact O-CG 3.27Å; I233-L237 PolarHBondContact O-N 2.89Å; I234-L237 PolarHBondContact O-N 3.44Å; I234-L237 VanDerWaalsContact O-N 3.14Å; I235-L237 VanDerWaalsContact C-N 3.31Å; I235-L237 PolarHBondContact O-N 3.38Å; L237-A240 WeakPolarHBondContact O-CB 3.48Å; L237-A240 PolarHBondContact O-N 2.9Å; L237-M241 PolarHBondContact O-N 2.85Å; L237-G646 VanDerWaalsContact CD2-C 3.5Å; L237-I650 HydrophobicContact CB-CD1 3.94Å; L237-I650 HydrophobicContact CD2-CD1 4.07Å; L237-I650 WeakPolarHBondContact O-CD1 3.2Å
238V93.3Very high90.7Very high79 Ų7954 Ų5448%0.47928%0.275SS..Hα-helixtrans-65.6-41.4173.6172.70000110.8I234 I235 A240 M241 A242I234-V238 HydrophobicContact CG2-CG2 4.43Å; I234-V238 WeakPolarHBondContact O-CG2 3.39Å; I234-V238 PolarHBondContact O-N 3.47Å; I235-V238 PolarHBondContact O-N 2.92Å; V238-A240 VanDerWaalsContact C-N 3.33Å; V238-A240 PolarHBondContact O-N 3.16Å; V238-M241 WeakPolarHBondContact O-CB 3.34Å; V238-M241 PolarHBondContact O-N 3Å; V238-A242 PolarHBondContact O-N 3.28Å
239I93.5Very high90.6Very high75 Ų7554.5 Ų54.539%0.38528%0.275SS..Hα-helixtrans-60.2-44.9173-66.7167.5000110.2I235 G236 M241 A242 M243I235-I239 HydrophobicContact CG2-CD1 4.06Å; I235-I239 WeakPolarHBondContact O-CG1 3.03Å; I235-I239 PolarHBondContact O-N 2.85Å; G236-I239 PolarHBondContact O-N 3.49Å; I239-M241 VanDerWaalsContact C-N 3.31Å; I239-M241 PolarHBondContact O-N 3.38Å; I239-A242 PolarHBondContact O-N 3.16Å; I239-M243 HydrophobicContact CG2-CG 4.3Å; I239-M243 HydrophobicContact CG2-SD 4.11Å; I239-M243 WeakPolarHBondContact O-CB 3.47Å; I239-M243 WeakPolarHBondContact O-CG 3.23Å; I239-M243 PolarHBondContact O-N 3.26Å
240A94.3Very high90.3Very high0 Ų057.6 Ų57.60%029%0.291CS..Hα-helixtrans-60.2-39.3176.500000112.9G236 L237 V238 S244 V611 S647G236-A240 PolarHBondContact O-N 3.21Å; L237-A240 WeakPolarHBondContact O-CB 3.48Å; L237-A240 PolarHBondContact O-N 2.9Å; V238-A240 VanDerWaalsContact C-N 3.33Å; V238-A240 PolarHBondContact O-N 3.16Å; A240-S244 WeakPolarHBondContact O-CB 3.37Å; A240-S244 PolarHBondContact O-N 2.93Å; A240-S244 PolarHBondContact O-OG 3.02Å; A240-V611 HydrophobicContact CB-CG1 4.3Å; A240-V611 HydrophobicContact CB-CG2 3.92Å; A240-S647 VanDerWaalsContact CB-OG 3.27Å; A240-S647 WeakPolarHBondContact CB-OG 3.34Å
241M91.2Very high89.9Confident84 Ų8450.5 Ų50.541%0.41427%0.265SS..Hα-helixtrans-63.9-47.9174.3-177179.664.200111.4L237 V238 I239 M243 S244 L245 I650 F654L237-M241 PolarHBondContact O-N 2.85Å; V238-M241 WeakPolarHBondContact O-CB 3.34Å; V238-M241 PolarHBondContact O-N 3Å; I239-M241 VanDerWaalsContact C-N 3.31Å; I239-M241 PolarHBondContact O-N 3.38Å; M241-M243 PolarHBondContact O-N 3.08Å; M241-S244 WeakPolarHBondContact O-CB 3.24Å; M241-S244 PolarHBondContact O-N 3.2Å; M241-L245 HydrophobicContact CG-CD1 4.47Å; M241-L245 PolarHBondContact O-N 2.62Å; M241-I650 HydrophobicContact CB-CG2 4.09Å; M241-F654 HydrophobicContact CG-CE2 3.88Å; M241-F654 HydrophobicContact CG-CZ 3.88Å
242A91.8Very high89.4Confident55 Ų5551 Ų5146%0.45527%0.266SS..Hα-helixtrans-61.7-43.3177.800000111.9V238 I239 S244 L245 L246V238-A242 PolarHBondContact O-N 3.28Å; I239-A242 PolarHBondContact O-N 3.16Å; A242-S244 VanDerWaalsContact C-N 3.34Å; A242-S244 PolarHBondContact O-N 3Å; A242-L245 PolarHBondContact O-N 3.33Å; A242-L246 WeakPolarHBondContact O-CB 3.45Å; A242-L246 PolarHBondContact O-N 3.5Å
243M92Very high88.9Confident49 Ų4954.8 Ų54.824%0.24128%0.284CS..Hα-helixtrans-62.3-39.4174.4-75-17358.600112.3I239 M241 L246 F247 I607 V611I239-M243 HydrophobicContact CG2-CG 4.3Å; I239-M243 HydrophobicContact CG2-SD 4.11Å; I239-M243 WeakPolarHBondContact O-CB 3.47Å; I239-M243 WeakPolarHBondContact O-CG 3.23Å; I239-M243 PolarHBondContact O-N 3.26Å; M241-M243 PolarHBondContact O-N 3.08Å; M243-L246 PolarHBondContact O-N 3.22Å; M243-F247 WeakPolarHBondContact O-CB 3.42Å; M243-F247 PolarHBondContact O-N 2.91Å; M243-I607 HydrophobicContact CB-CG2 4.43Å; M243-V611 HydrophobicContact CE-CG2 4.4Å; M243-V611 HydrophobicContact SD-CG2 3.63Å
244S91.1Very high88.5Confident2 Ų258 Ų581%0.01430%0.301CS..Hα-helixtrans-64.6-43.8176.5-59.80000111.9A240 M241 A242 F247 I248 F654A240-S244 WeakPolarHBondContact O-CB 3.37Å; A240-S244 PolarHBondContact O-N 2.93Å; A240-S244 PolarHBondContact O-OG 3.02Å; M241-S244 WeakPolarHBondContact O-CB 3.24Å; M241-S244 PolarHBondContact O-N 3.2Å; A242-S244 VanDerWaalsContact C-N 3.34Å; A242-S244 PolarHBondContact O-N 3Å; S244-F247 PolarHBondContact O-N 3.43Å; S244-I248 WeakPolarHBondContact O-CG1 3.35Å; S244-I248 PolarHBondContact O-N 3.19Å; S244-I248 VanDerWaalsContact O-N 3.1Å; S244-F654 VanDerWaalsContact CB-CD2 3.46Å
245L86.9Confident87.8Confident59 Ų5953.8 Ų53.831%0.30928%0.28SS..Hα-helixtrans-63.2-46.1174.8-74.8171.1000111.5M241 A242 F247 I248 I249 L359 F654M241-L245 HydrophobicContact CG-CD1 4.47Å; M241-L245 PolarHBondContact O-N 2.62Å; A242-L245 PolarHBondContact O-N 3.33Å; L245-F247 VanDerWaalsContact C-N 3.32Å; L245-F247 PolarHBondContact O-N 3.48Å; L245-I248 PolarHBondContact O-N 2.82Å; L245-I249 VanDerWaalsContact O-CG1 3.32Å; L245-I249 WeakPolarHBondContact O-CG1 3.27Å; L245-I249 PolarHBondContact O-N 2.97Å; L245-L359 HydrophobicContact CD2-CD1 3.86Å; L245-F654 HydrophobicContact CD1-CZ 4.49Å; L245-F654 HydrophobicContact CD2-CD1 4.25Å; L245-F654 HydrophobicContact CD2-CE1 3.45Å; L245-F654 VanDerWaalsContact CD2-CE1 3.45Å; L245-F654 HydrophobicContact CD2-CZ 3.92Å; L245-F654 HydrophobicContact CG-CE1 3.94Å; L245-F654 HydrophobicContact CG-CZ 3.89Å
246L88.7Confident87.3Confident98 Ų9851.5 Ų51.551%0.51328%0.275SS..Hα-helixtrans-57.9-46.1176.1179.663000110.8A242 M243 I248 I249 L250A242-L246 WeakPolarHBondContact O-CB 3.45Å; A242-L246 PolarHBondContact O-N 3.5Å; M243-L246 PolarHBondContact O-N 3.22Å; L246-I248 VanDerWaalsContact C-N 3.34Å; L246-I248 PolarHBondContact O-N 3.4Å; L246-I249 PolarHBondContact O-N 2.85Å; L246-L250 HydrophobicContact CD1-CD1 4.35Å; L246-L250 HydrophobicContact CD1-CG 4.26Å; L246-L250 HydrophobicContact CG-CD1 4.01Å; L246-L250 HydrophobicContact CG-CG 4.36Å; L246-L250 WeakPolarHBondContact O-CB 3.45Å; L246-L250 VanDerWaalsContact O-CG 3.27Å; L246-L250 WeakPolarHBondContact O-CG 3.5Å; L246-L250 PolarHBondContact O-N 3.41Å
247F87.9Confident87Confident15 Ų1556 Ų567%0.06630%0.295CS..Hα-helixtrans-58.4-44.3177.8-172.5-87.5000112.1M243 S244 L245 I249 L250 L251 M258 M262 I607 F655M243-F247 WeakPolarHBondContact O-CB 3.42Å; M243-F247 PolarHBondContact O-N 2.91Å; S244-F247 PolarHBondContact O-N 3.43Å; L245-F247 VanDerWaalsContact C-N 3.32Å; L245-F247 PolarHBondContact O-N 3.48Å; F247-I249 PolarHBondContact O-N 3.19Å; F247-L250 PolarHBondContact O-N 3.37Å; F247-L251 HydrophobicContact CD1-CD1 4.03Å; F247-L251 HydrophobicContact CD1-CG 4.23Å; F247-L251 HydrophobicContact CE1-CD1 3.72Å; F247-L251 HydrophobicContact CE1-CD2 4.29Å; F247-L251 HydrophobicContact CE1-CG 3.96Å; F247-L251 PolarHBondContact O-N 3.05Å; F247-M258 HydrophobicContact CD1-CE 4.4Å; F247-M258 HydrophobicContact CD2-CE 3.65Å; F247-M258 HydrophobicContact CE1-CE 4.09Å; F247-M258 HydrophobicContact CE2-CE 3.28Å; F247-M258 HydrophobicContact CG-CE 4.21Å; F247-M258 HydrophobicContact CZ-CE 3.53Å; F247-M262 HydrophobicContact CE2-SD 4.28Å; F247-M262 HydrophobicContact CZ-CE 4.4Å; F247-M262 HydrophobicContact CZ-SD 3.86Å; F247-I607 HydrophobicContact CB-CD1 4.11Å; F247-I607 HydrophobicContact CG-CD1 4.21Å; F247-F655 HydrophobicContact CD1-CE1 4.11Å; F247-F655 AromaticContact CD1-CZ 3.59Å; F247-F655 HydrophobicContact CD1-CZ 3.59Å; F247-F655 AromaticContact CE1-CE1 3.78Å; F247-F655 HydrophobicContact CE1-CE1 3.78Å; F247-F655 AromaticContact CE1-CZ 3.45Å; F247-F655 HydrophobicContact CE1-CZ 3.45Å; F247-F655 VanDerWaalsContact CE1-CZ 3.45Å; F247-F655 HydrophobicContact CZ-CZ 4.35Å
248I83.4Confident86.6Confident8 Ų855.2 Ų55.24%0.04129%0.29CS..Hα-helixtrans-64.8-39.9177.1-69.6166.7000111.7S244 L245 L246 L251 L359 F654 Y658S244-I248 WeakPolarHBondContact O-CG1 3.35Å; S244-I248 PolarHBondContact O-N 3.19Å; S244-I248 VanDerWaalsContact O-N 3.1Å; L245-I248 PolarHBondContact O-N 2.82Å; L246-I248 VanDerWaalsContact C-N 3.34Å; L246-I248 PolarHBondContact O-N 3.4Å; I248-L251 WeakPolarHBondContact O-CB 3.38Å; I248-L251 PolarHBondContact O-N 3.08Å; I248-L359 HydrophobicContact CD1-CD2 4.23Å; I248-F654 HydrophobicContact CD1-CB 3.71Å; I248-F654 HydrophobicContact CD1-CD1 3.84Å; I248-F654 HydrophobicContact CD1-CG 4.07Å; I248-Y658 HydrophobicContact CG2-CD2 4.42Å; I248-Y658 HydrophobicContact CG2-CE2 4.42Å
249I82.9Confident86.1Confident80 Ų8051.5 Ų51.541%0.4127%0.268SS..Hα-helixtrans-64.9-41.9176-67.8167000110.2L245 L246 F247 L251 R252 F253L245-I249 VanDerWaalsContact O-CG1 3.32Å; L245-I249 WeakPolarHBondContact O-CG1 3.27Å; L245-I249 PolarHBondContact O-N 2.97Å; L246-I249 PolarHBondContact O-N 2.85Å; F247-I249 PolarHBondContact O-N 3.19Å; I249-L251 VanDerWaalsContact C-N 3.32Å; I249-L251 PolarHBondContact O-N 3.47Å; I249-R252 WeakPolarHBondContact O-CB 3.49Å; I249-R252 PolarHBondContact O-N 2.97Å; I249-F253 HydrophobicContact CG2-CD2 4.44Å; I249-F253 HydrophobicContact CG2-CE2 3.89Å; I249-F253 WeakPolarHBondContact O-CD2 3.4Å
250L84.9Confident85.7Confident65 Ų6553 Ų5334%0.3427%0.269SS..Hα-helixtrans-63.4-36.9177.4-70172.7000112.2L246 F247 R252 F253 L254 M258L246-L250 HydrophobicContact CD1-CD1 4.35Å; L246-L250 HydrophobicContact CD1-CG 4.26Å; L246-L250 HydrophobicContact CG-CD1 4.01Å; L246-L250 HydrophobicContact CG-CG 4.36Å; L246-L250 WeakPolarHBondContact O-CB 3.45Å; L246-L250 VanDerWaalsContact O-CG 3.27Å; L246-L250 WeakPolarHBondContact O-CG 3.5Å; L246-L250 PolarHBondContact O-N 3.41Å; F247-L250 PolarHBondContact O-N 3.37Å; L250-R252 PolarHBondContact O-N 2.87Å; L250-R252 VanDerWaalsContact O-N 3.12Å; L250-F253 PolarHBondContact O-N 3.46Å; L250-F253 VanDerWaalsContact O-N 3.16Å; L250-L254 PolarHBondContact O-N 3.21Å; L250-M258 HydrophobicContact CB-CE 4.27Å; L250-M258 HydrophobicContact CB-SD 3.56Å; L250-M258 VanDerWaalsContact CB-SD 3.56Å
251L81.6Confident85.4Confident6 Ų657.2 Ų57.23%0.03129%0.294CS..Hα-helixtrans-57.7-25.5172.8-75.5177000112.5F247 I248 I249 A255 M258 Y658F247-L251 HydrophobicContact CD1-CD1 4.03Å; F247-L251 HydrophobicContact CD1-CG 4.23Å; F247-L251 HydrophobicContact CE1-CD1 3.72Å; F247-L251 HydrophobicContact CE1-CD2 4.29Å; F247-L251 HydrophobicContact CE1-CG 3.96Å; F247-L251 PolarHBondContact O-N 3.05Å; I248-L251 WeakPolarHBondContact O-CB 3.38Å; I248-L251 PolarHBondContact O-N 3.08Å; I249-L251 VanDerWaalsContact C-N 3.32Å; I249-L251 PolarHBondContact O-N 3.47Å; L251-A255 WeakPolarHBondContact O-CA 3.48Å; L251-A255 WeakPolarHBondContact O-CB 3.22Å; L251-A255 PolarHBondContact O-N 3.44Å; L251-M258 HydrophobicContact CD2-CB 4.43Å; L251-M258 HydrophobicContact CD2-CE 3.95Å; L251-M258 HydrophobicContact CD2-SD 3.96Å; L251-M258 HydrophobicContact CG-CE 4.19Å; L251-M258 HydrophobicContact CG-SD 4.26Å; L251-Y658 HydrophobicContact CD1-CE2 4.49Å
252R80.3Confident85.1Confident108 Ų10853.6 Ų53.641%0.40828%0.276SS..Hα-helixtrans-65-45177.2-166.7178.9172.2175.2-1.4112.7I249 L250 S349I249-R252 WeakPolarHBondContact O-CB 3.49Å; I249-R252 PolarHBondContact O-N 2.97Å; L250-R252 PolarHBondContact O-N 2.87Å; L250-R252 VanDerWaalsContact O-N 3.12Å; R252-S349 WeakPolarHBondContact CA-OG 3.22Å; R252-S349 WeakPolarHBondContact CB-OG 3.35Å; R252-S349 PolarHBondContact N-OG 3.44Å
253F80.8Confident84.7Confident131 Ų13151.4 Ų51.458%0.57526%0.257SS*.Hα-helixtrans-93.5-38.6-170.7-58-71.3000111.7I249 L250I249-F253 HydrophobicContact CG2-CD2 4.44Å; I249-F253 HydrophobicContact CG2-CE2 3.89Å; I249-F253 WeakPolarHBondContact O-CD2 3.4Å; L250-F253 PolarHBondContact O-N 3.46Å; L250-F253 VanDerWaalsContact O-N 3.16Å
254L84Confident84.6Confident80 Ų8053.5 Ų53.542%0.41927%0.268SS..Hα-helixtrans-124.120-167-59.2169.5000112.8L250 G256 I257 M258L250-L254 PolarHBondContact O-N 3.21Å; L254-G256 PolarHBondContact O-N 3.28Å; L254-I257 HydrophobicContact CB-CB 4.5Å; L254-I257 HydrophobicContact CD2-CD1 3.79Å; L254-I257 PolarHBondContact O-N 3.13Å; L254-M258 HydrophobicContact CB-CG 4.16Å; L254-M258 WeakPolarHBondContact O-CB 3.5Å; L254-M258 WeakPolarHBondContact O-CG 3.4Å; L254-M258 PolarHBondContact O-N 3.31Å
255A77.9Confident84.3Confident2 Ų257.7 Ų57.72%0.01729%0.289CS..Hα-helixtrans-43.3-47-178.700000113.9L251 V259 K346L251-A255 WeakPolarHBondContact O-CA 3.48Å; L251-A255 WeakPolarHBondContact O-CB 3.22Å; L251-A255 PolarHBondContact O-N 3.44Å; A255-V259 WeakPolarHBondContact O-CB 3.45Å; A255-V259 WeakPolarHBondContact O-CG2 3.27Å; A255-V259 PolarHBondContact O-N 3.32Å; A255-K346 HydrophobicContact CB-CB 4.41Å
256G81.8Confident84.3Confident28 Ų2856 Ų5629%0.28928%0.281SS..Hα-helixtrans-62.7-5117900000112.7L254 V259 W260L254-G256 PolarHBondContact O-N 3.28Å; G256-V259 PolarHBondContact O-N 3.39Å; G256-W260 PolarHBondContact O-N 3.3Å; G256-W260 VanDerWaalsContact O-N 3.16Å
257I85.9Confident84.4Confident108 Ų10853.9 Ų53.955%0.55427%0.269SS*.Hα-helixtrans-62.9-46.5179.8-66.4164.7000110.1L254 V259 W260 V261L254-I257 HydrophobicContact CB-CB 4.5Å; L254-I257 HydrophobicContact CD2-CD1 3.79Å; L254-I257 PolarHBondContact O-N 3.13Å; I257-V259 VanDerWaalsContact C-N 3.35Å; I257-V259 PolarHBondContact O-N 2.89Å; I257-W260 PolarHBondContact O-N 3.33Å; I257-V261 HydrophobicContact CG2-CG2 4.04Å; I257-V261 WeakPolarHBondContact O-CB 3.47Å; I257-V261 VanDerWaalsContact O-CG2 3.28Å; I257-V261 WeakPolarHBondContact O-CG2 3.28Å; I257-V261 PolarHBondContact O-N 2.87Å
258M83.6Confident84.6Confident28 Ų2858.7 Ų58.714%0.13830%0.295CS..Hα-helixtrans-57.8-46.1178.6-74.8-17465.700112.2F247 L250 L251 L254 W260 V261 M262F247-M258 HydrophobicContact CD1-CE 4.4Å; F247-M258 HydrophobicContact CD2-CE 3.65Å; F247-M258 HydrophobicContact CE1-CE 4.09Å; F247-M258 HydrophobicContact CE2-CE 3.28Å; F247-M258 HydrophobicContact CG-CE 4.21Å; F247-M258 HydrophobicContact CZ-CE 3.53Å; L250-M258 HydrophobicContact CB-CE 4.27Å; L250-M258 HydrophobicContact CB-SD 3.56Å; L250-M258 VanDerWaalsContact CB-SD 3.56Å; L251-M258 HydrophobicContact CD2-CB 4.43Å; L251-M258 HydrophobicContact CD2-CE 3.95Å; L251-M258 HydrophobicContact CD2-SD 3.96Å; L251-M258 HydrophobicContact CG-CE 4.19Å; L251-M258 HydrophobicContact CG-SD 4.26Å; L254-M258 HydrophobicContact CB-CG 4.16Å; L254-M258 WeakPolarHBondContact O-CB 3.5Å; L254-M258 WeakPolarHBondContact O-CG 3.4Å; L254-M258 PolarHBondContact O-N 3.31Å; M258-W260 PolarHBondContact O-N 2.81Å; M258-V261 PolarHBondContact O-N 2.78Å; M258-M262 VanDerWaalsContact O-CB 3.25Å; M258-M262 WeakPolarHBondContact O-CB 3.29Å; M258-M262 WeakPolarHBondContact O-CG 3.47Å; M258-M262 PolarHBondContact O-N 3.03Å
259V83.2Confident84.8Confident1 Ų162.2 Ų62.21%0.00632%0.317CS..Hα-helixtrans-61.1-44.6178.7167.20000111.1A255 G256 I257 M262 I263 I338 I342 L599A255-V259 WeakPolarHBondContact O-CB 3.45Å; A255-V259 WeakPolarHBondContact O-CG2 3.27Å; A255-V259 PolarHBondContact O-N 3.32Å; G256-V259 PolarHBondContact O-N 3.39Å; I257-V259 VanDerWaalsContact C-N 3.35Å; I257-V259 PolarHBondContact O-N 2.89Å; V259-M262 HydrophobicContact CG2-CE 4.13Å; V259-M262 PolarHBondContact O-N 3.06Å; V259-I263 HydrophobicContact CG1-CD1 3.73Å; V259-I263 WeakPolarHBondContact O-CB 3.45Å; V259-I263 WeakPolarHBondContact O-CD1 3.19Å; V259-I263 VanDerWaalsContact O-CG1 3.22Å; V259-I263 WeakPolarHBondContact O-CG1 3.48Å; V259-I263 PolarHBondContact O-N 3.49Å; V259-I338 HydrophobicContact CG1-CG2 4.49Å; V259-I342 HydrophobicContact CB-CD1 4.21Å; V259-I342 HydrophobicContact CB-CG1 4.23Å; V259-I342 HydrophobicContact CG1-CD1 3.89Å; V259-I342 HydrophobicContact CG1-CG1 4.06Å; V259-I342 HydrophobicContact CG2-CG1 4.2Å; V259-L599 HydrophobicContact CB-CD2 4.36Å; V259-L599 HydrophobicContact CG1-CD1 4.08Å; V259-L599 HydrophobicContact CG1-CD2 3.72Å; V259-L599 HydrophobicContact CG2-CD1 3.82Å; V259-L599 HydrophobicContact CG2-CD2 4.06Å
260W86.3Confident85.2Confident106 Ų10659.6 Ų59.640%0.40230%0.303SS..Hα-helixtrans-67.1-42.9177.3-75.5113.3000113.1G256 I257 M258 M262 I263 I264G256-W260 PolarHBondContact O-N 3.3Å; G256-W260 VanDerWaalsContact O-N 3.16Å; I257-W260 PolarHBondContact O-N 3.33Å; M258-W260 PolarHBondContact O-N 2.81Å; W260-M262 VanDerWaalsContact C-N 3.31Å; W260-M262 PolarHBondContact O-N 3.36Å; W260-I263 HydrophobicContact CE3-CD1 4.39Å; W260-I263 PolarHBondContact O-N 3.08Å; W260-I264 WeakPolarHBondContact O-CB 3.47Å; W260-I264 VanDerWaalsContact O-CG1 3.27Å; W260-I264 WeakPolarHBondContact O-CG1 3.4Å; W260-I264 PolarHBondContact O-N 3.43Å
261V87Confident85.6Confident88 Ų8858 Ų5853%0.53330%0.303SS..Hα-helixtrans-59.6-44.5175.9168.60000110.6I257 M258 I264 M265I257-V261 HydrophobicContact CG2-CG2 4.04Å; I257-V261 WeakPolarHBondContact O-CB 3.47Å; I257-V261 VanDerWaalsContact O-CG2 3.28Å; I257-V261 WeakPolarHBondContact O-CG2 3.28Å; I257-V261 PolarHBondContact O-N 2.87Å; M258-V261 PolarHBondContact O-N 2.78Å; V261-I264 PolarHBondContact O-N 2.88Å; V261-M265 VanDerWaalsContact O-CB 3.29Å; V261-M265 WeakPolarHBondContact O-CB 3.39Å; V261-M265 PolarHBondContact O-N 2.97Å
262M84Confident86.1Confident9 Ų964.7 Ų64.74%0.04433%0.329CS..Hα-helixtrans-62.6-44.7176.8-79.2-169.3-58.200111.9F247 M258 V259 W260 M265 V266 L599 L602F247-M262 HydrophobicContact CE2-SD 4.28Å; F247-M262 HydrophobicContact CZ-CE 4.4Å; F247-M262 HydrophobicContact CZ-SD 3.86Å; M258-M262 VanDerWaalsContact O-CB 3.25Å; M258-M262 WeakPolarHBondContact O-CB 3.29Å; M258-M262 WeakPolarHBondContact O-CG 3.47Å; M258-M262 PolarHBondContact O-N 3.03Å; V259-M262 HydrophobicContact CG2-CE 4.13Å; V259-M262 PolarHBondContact O-N 3.06Å; W260-M262 VanDerWaalsContact C-N 3.31Å; W260-M262 PolarHBondContact O-N 3.36Å; M262-M265 PolarHBondContact O-N 2.87Å; M262-V266 WeakPolarHBondContact O-CG2 3.45Å; M262-V266 PolarHBondContact O-N 3.3Å; M262-L599 HydrophobicContact CE-CD2 4.36Å; M262-L602 HydrophobicContact CB-CD2 3.55Å; M262-L602 HydrophobicContact CB-CG 4.09Å; M262-L602 HydrophobicContact CG-CD2 4.3Å; M262-L602 HydrophobicContact CG-CG 4.31Å; M262-L602 HydrophobicContact SD-CD2 4.45Å; M262-L602 HydrophobicContact SD-CG 4.13Å
263I84.8Confident86.5Confident9 Ų960.4 Ų60.45%0.04632%0.318CS..Hα-helixtrans-60-47.7176-73.1163.8000111V259 W260 M265 V266 I267 L331V259-I263 HydrophobicContact CG1-CD1 3.73Å; V259-I263 WeakPolarHBondContact O-CB 3.45Å; V259-I263 WeakPolarHBondContact O-CD1 3.19Å; V259-I263 VanDerWaalsContact O-CG1 3.22Å; V259-I263 WeakPolarHBondContact O-CG1 3.48Å; V259-I263 PolarHBondContact O-N 3.49Å; W260-I263 HydrophobicContact CE3-CD1 4.39Å; W260-I263 PolarHBondContact O-N 3.08Å; I263-M265 VanDerWaalsContact C-N 3.34Å; I263-M265 PolarHBondContact O-N 3.44Å; I263-V266 PolarHBondContact O-N 3.48Å; I263-I267 HydrophobicContact CG2-CD1 4.18Å; I263-I267 PolarHBondContact O-N 3.21Å; I263-L331 HydrophobicContact CD1-CD2 3.86Å; I263-L331 HydrophobicContact CG1-CD2 4.08Å; I263-L331 HydrophobicContact CG2-CD1 3.42Å; I263-L331 VanDerWaalsContact CG2-CD1 3.42Å; I263-L331 HydrophobicContact CG2-CD2 3.86Å; I263-L331 HydrophobicContact CG2-CG 4.28Å
264I88.8Confident87.1Confident92 Ų9256 Ų5647%0.47230%0.3SS..Hα-helixtrans-62.9-42.4178.7-68.6165.6000110.6W260 V261 V266 I267 L268W260-I264 WeakPolarHBondContact O-CB 3.47Å; W260-I264 VanDerWaalsContact O-CG1 3.27Å; W260-I264 WeakPolarHBondContact O-CG1 3.4Å; W260-I264 PolarHBondContact O-N 3.43Å; V261-I264 PolarHBondContact O-N 2.88Å; I264-V266 VanDerWaalsContact C-N 3.32Å; I264-V266 PolarHBondContact O-N 3.24Å; I264-I267 PolarHBondContact O-N 3.01Å; I264-L268 HydrophobicContact CG2-CD1 3.94Å; I264-L268 HydrophobicContact CG2-CG 4.29Å; I264-L268 WeakPolarHBondContact O-CG 3.49Å; I264-L268 PolarHBondContact O-N 3.29Å
265M86.4Confident87.6Confident91 Ų9157.4 Ų57.445%0.44830%0.303SS..Hα-helixtrans-60.5-40.9178.3-174.9-129.1-178.900111.9V261 M262 I263 L268 V269V261-M265 VanDerWaalsContact O-CB 3.29Å; V261-M265 WeakPolarHBondContact O-CB 3.39Å; V261-M265 PolarHBondContact O-N 2.97Å; M262-M265 PolarHBondContact O-N 2.87Å; I263-M265 VanDerWaalsContact C-N 3.34Å; I263-M265 PolarHBondContact O-N 3.44Å; M265-L268 PolarHBondContact O-N 3.47Å; M265-V269 HydrophobicContact CE-CG2 4.24Å; M265-V269 HydrophobicContact CG-CG2 4.46Å; M265-V269 VanDerWaalsContact O-CG2 3.31Å; M265-V269 WeakPolarHBondContact O-CG2 3.28Å; M265-V269 PolarHBondContact O-N 3.35Å
266V86.3Confident88.3Confident24 Ų2460.4 Ų60.415%0.14532%0.317CS..Hα-helixtrans-62.7-47.1177169.60000111.5M262 I263 I264 L268 V269 L270 L602M262-V266 WeakPolarHBondContact O-CG2 3.45Å; M262-V266 PolarHBondContact O-N 3.3Å; I263-V266 PolarHBondContact O-N 3.48Å; I264-V266 VanDerWaalsContact C-N 3.32Å; I264-V266 PolarHBondContact O-N 3.24Å; V266-L268 VanDerWaalsContact C-N 3.3Å; V266-L268 PolarHBondContact O-N 3.43Å; V266-V269 PolarHBondContact O-N 3.1Å; V266-L270 HydrophobicContact CG1-CD1 3.86Å; V266-L270 HydrophobicContact CG1-CG 4.45Å; V266-L270 WeakPolarHBondContact O-CB 3.35Å; V266-L270 WeakPolarHBondContact O-CG 3.41Å; V266-L270 PolarHBondContact O-N 3.4Å; V266-L602 HydrophobicContact CG2-CD1 3.5Å; V266-L602 HydrophobicContact CG2-CD2 3.48Å; V266-L602 VanDerWaalsContact CG2-CD2 3.48Å; V266-L602 HydrophobicContact CG2-CG 4.16Å
267I90.1Very high88.7Confident52 Ų5259.4 Ų59.427%0.26731%0.305SS..Hα-helixtrans-56.7-45.3175.8-72.1170.4000110.4I263 I264 G271 E324 I328 L331I263-I267 HydrophobicContact CG2-CD1 4.18Å; I263-I267 PolarHBondContact O-N 3.21Å; I264-I267 PolarHBondContact O-N 3.01Å; I267-G271 PolarHBondContact O-N 3.41Å; I267-E324 WeakPolarHBondContact CA-OE1 3.48Å; I267-E324 VanDerWaalsContact CG2-OE1 3.29Å; I267-E324 WeakPolarHBondContact CG2-OE1 3.48Å; I267-I328 HydrophobicContact CD1-CG1 4.47Å; I267-L331 HydrophobicContact CD1-CD1 3.97Å
268L91.7Very high89Confident116 Ų11660.4 Ų60.461%0.60730%0.303SS*.Hα-helixtrans-65.7-42179.1-71.1175.3000112.8I264 M265 V266 G271 Y272I264-L268 HydrophobicContact CG2-CD1 3.94Å; I264-L268 HydrophobicContact CG2-CG 4.29Å; I264-L268 WeakPolarHBondContact O-CG 3.49Å; I264-L268 PolarHBondContact O-N 3.29Å; M265-L268 PolarHBondContact O-N 3.47Å; V266-L268 VanDerWaalsContact C-N 3.3Å; V266-L268 PolarHBondContact O-N 3.43Å; L268-G271 PolarHBondContact O-N 3.48Å; L268-Y272 WeakPolarHBondContact O-CB 3.26Å; L268-Y272 PolarHBondContact O-N 2.98Å
269V89.1Confident89.4Confident82 Ų8262.8 Ų62.850%0.49732%0.315SS..Hα-helixtrans-67.1-42.2179170.10000111M265 V266 Y272 G273M265-V269 HydrophobicContact CE-CG2 4.24Å; M265-V269 HydrophobicContact CG-CG2 4.46Å; M265-V269 VanDerWaalsContact O-CG2 3.31Å; M265-V269 WeakPolarHBondContact O-CG2 3.28Å; M265-V269 PolarHBondContact O-N 3.35Å; V266-V269 PolarHBondContact O-N 3.1Å; V269-Y272 PolarHBondContact O-N 2.85Å; V269-G273 PolarHBondContact O-N 3.4Å
270L89.9Confident89.6Confident25 Ų2565 Ų6513%0.13133%0.325CS..Hα-helixtrans-65.7-42.8175.3-72.2174.2000111.2V266 Y272 G273 I274 L320 L323 E324 I327V266-L270 HydrophobicContact CG1-CD1 3.86Å; V266-L270 HydrophobicContact CG1-CG 4.45Å; V266-L270 WeakPolarHBondContact O-CB 3.35Å; V266-L270 WeakPolarHBondContact O-CG 3.41Å; V266-L270 PolarHBondContact O-N 3.4Å; L270-Y272 PolarHBondContact O-N 3.44Å; L270-G273 PolarHBondContact O-N 2.87Å; L270-G273 VanDerWaalsContact O-N 3.13Å; L270-I274 WeakPolarHBondContact O-CG1 3.22Å; L270-I274 PolarHBondContact O-N 3.12Å; L270-L320 HydrophobicContact CD2-CD2 3.89Å; L270-L323 HydrophobicContact CD2-CD2 4.15Å; L270-E324 WeakPolarHBondContact CB-OE2 3.27Å; L270-E324 WeakPolarHBondContact CD1-OE2 3.2Å; L270-I327 HydrophobicContact CD1-CD1 3.51Å
271G93.3Very high89.7Confident33 Ų3362.2 Ų62.234%0.3432%0.315SS..Hα-helixtrans-58-44.8172.300000113I267 L268 G273 I274 F275I267-G271 PolarHBondContact O-N 3.41Å; L268-G271 PolarHBondContact O-N 3.48Å; G271-G273 VanDerWaalsContact C-N 3.35Å; G271-I274 PolarHBondContact O-N 3.43Å; G271-F275 PolarHBondContact O-N 3.48Å
272Y92.8Very high89.7Confident146 Ų14661 Ų6157%0.57331%0.31SS*.Hα-helixtrans-63-40.4173.2175.9-97.6000112L268 V269 L270 I274 F275 H276L268-Y272 WeakPolarHBondContact O-CB 3.26Å; L268-Y272 PolarHBondContact O-N 2.98Å; V269-Y272 PolarHBondContact O-N 2.85Å; L270-Y272 PolarHBondContact O-N 3.44Å; Y272-I274 PolarHBondContact O-N 3.43Å; Y272-F275 PolarHBondContact O-N 2.9Å; Y272-H276 HydrophobicContact CE1-CB 4.42Å; Y272-H276 WeakPolarHBondContact O-CB 3.41Å; Y272-H276 PolarHBondContact O-N 3.33Å
273G89.9Confident89.9Confident18 Ų1868.7 Ų68.719%0.18634%0.339CS..Hα-helixtrans-60.7-43.2175.600000112.7V269 L270 G271 H276 C277V269-G273 PolarHBondContact O-N 3.4Å; L270-G273 PolarHBondContact O-N 2.87Å; L270-G273 VanDerWaalsContact O-N 3.13Å; G271-G273 VanDerWaalsContact C-N 3.35Å; G273-H276 PolarHBondContact O-N 2.98Å; G273-C277 WeakPolarHBondContact O-CB 3.33Å; G273-C277 PolarHBondContact O-N 3.28Å; G273-C277 PolarHBondContact O-SG 2.84Å
274I93.2Very high89.8Confident37 Ų3768.5 Ų68.519%0.1934%0.338CS..Hα-helixtrans-61.1-47.3174.2-65.7163.2000110.1L270 G271 Y272 C277 Y278 M317 L320 E324L270-I274 WeakPolarHBondContact O-CG1 3.22Å; L270-I274 PolarHBondContact O-N 3.12Å; G271-I274 PolarHBondContact O-N 3.43Å; Y272-I274 PolarHBondContact O-N 3.43Å; I274-C277 PolarHBondContact O-N 2.83Å; I274-Y278 WeakPolarHBondContact O-CB 3.27Å; I274-Y278 PolarHBondContact O-N 2.91Å; I274-M317 HydrophobicContact CG2-CG 4.13Å; I274-L320 HydrophobicContact CD1-CB 4.47Å; I274-L320 HydrophobicContact CG1-CB 3.72Å; I274-E324 HydrophobicContact CD1-CB 4.21Å; I274-E324 HydrophobicContact CD1-CG 4.5Å
275F94.3Very high89.4Confident111 Ų11172 Ų7249%0.48735%0.345SS..Hα-helixtrans-60.7-45.1177.4176.5-104.3000112.4G271 Y272 Y278 M279G271-F275 PolarHBondContact O-N 3.48Å; Y272-F275 PolarHBondContact O-N 2.9Å; F275-Y278 WeakPolarHBondContact O-CB 3.28Å; F275-Y278 PolarHBondContact O-N 3.49Å; F275-M279 HydrophobicContact CD1-CE 3.84Å; F275-M279 HydrophobicContact CD1-CG 4.42Å; F275-M279 HydrophobicContact CD1-SD 4.17Å; F275-M279 HydrophobicContact CE1-CE 3.45Å; F275-M279 VanDerWaalsContact CE1-CE 3.45Å; F275-M279 HydrophobicContact CE1-CG 3.99Å; F275-M279 HydrophobicContact CE1-SD 3.34Å; F275-M279 WeakPolarHBondContact CE1-SD 3.18Å; F275-M279 HydrophobicContact CE2-CG 4.25Å; F275-M279 HydrophobicContact CE2-SD 4.4Å; F275-M279 HydrophobicContact CZ-CE 4.23Å; F275-M279 HydrophobicContact CZ-CG 3.89Å; F275-M279 HydrophobicContact CZ-SD 3.48Å; F275-M279 WeakPolarHBondContact CZ-SD 3.37Å; F275-M279 WeakPolarHBondContact O-CG 3.33Å; F275-M279 PolarHBondContact O-N 3.36Å
276H91.1Very high88.7Confident65 Ų6571.4 Ų71.430%0.30136%0.362SS..Hα-helixtrans-63.2-44.3177-174.8-74.1000111.8Y272 G273 Y278 M279 E280 W313Y272-H276 HydrophobicContact CE1-CB 4.42Å; Y272-H276 WeakPolarHBondContact O-CB 3.41Å; Y272-H276 PolarHBondContact O-N 3.33Å; G273-H276 PolarHBondContact O-N 2.98Å; H276-Y278 VanDerWaalsContact C-N 3.26Å; H276-Y278 PolarHBondContact O-N 3.35Å; H276-M279 PolarHBondContact O-N 3.24Å; H276-E280 PolarHBondContact O-N 3.39Å; H276-W313 AromaticContact ND1-CZ3 3.88Å
277C91.3Very high88.4Confident7 Ų775.6 Ų75.65%0.04738%0.38CS..Hα-helixtrans-61.8-36.8175.5-66.30000111.7G273 I274 Y281 W313 M317G273-C277 WeakPolarHBondContact O-CB 3.33Å; G273-C277 PolarHBondContact O-N 3.28Å; G273-C277 PolarHBondContact O-SG 2.84Å; I274-C277 PolarHBondContact O-N 2.83Å; C277-Y281 WeakPolarHBondContact O-CB 3.14Å; C277-Y281 PolarHBondContact O-N 2.94Å; C277-W313 HydrophobicContact CB-CE3 4.05Å; C277-M317 HydrophobicContact CB-CB 4.02Å
278Y92.4Very high87.3Confident129 Ų12978.4 Ų78.451%0.50641%0.411SS..Hα-helixtrans-65.5-45.2174.4174.1-97.6000112.6I274 F275 H276 E280 Y281 S282 M317I274-Y278 WeakPolarHBondContact O-CB 3.27Å; I274-Y278 PolarHBondContact O-N 2.91Å; F275-Y278 WeakPolarHBondContact O-CB 3.28Å; F275-Y278 PolarHBondContact O-N 3.49Å; H276-Y278 VanDerWaalsContact C-N 3.26Å; H276-Y278 PolarHBondContact O-N 3.35Å; Y278-E280 PolarHBondContact O-N 3.33Å; Y278-Y281 PolarHBondContact O-N 2.69Å; Y278-S282 WeakPolarHBondContact O-CB 3.47Å; Y278-S282 PolarHBondContact O-N 3.25Å; Y278-M317 VanDerWaalsContact CA-CE 3.46Å; Y278-M317 HydrophobicContact CD2-CE 4.11Å; Y278-M317 HydrophobicContact CD2-SD 4.45Å
279M90.6Very high86.2Confident78 Ų7875.9 Ų75.938%0.38441%0.413SS..Hα-helixtrans-59.4-47.8176.1-72.1-164.3-59.500111.6F275 H276 S282 R283F275-M279 HydrophobicContact CD1-CE 3.84Å; F275-M279 HydrophobicContact CD1-CG 4.42Å; F275-M279 HydrophobicContact CD1-SD 4.17Å; F275-M279 HydrophobicContact CE1-CE 3.45Å; F275-M279 VanDerWaalsContact CE1-CE 3.45Å; F275-M279 HydrophobicContact CE1-CG 3.99Å; F275-M279 HydrophobicContact CE1-SD 3.34Å; F275-M279 WeakPolarHBondContact CE1-SD 3.18Å; F275-M279 HydrophobicContact CE2-CG 4.25Å; F275-M279 HydrophobicContact CE2-SD 4.4Å; F275-M279 HydrophobicContact CZ-CE 4.23Å; F275-M279 HydrophobicContact CZ-CG 3.89Å; F275-M279 HydrophobicContact CZ-SD 3.48Å; F275-M279 WeakPolarHBondContact CZ-SD 3.37Å; F275-M279 WeakPolarHBondContact O-CG 3.33Å; F275-M279 PolarHBondContact O-N 3.36Å; H276-M279 PolarHBondContact O-N 3.24Å; M279-S282 PolarHBondContact O-N 2.99Å; M279-R283 WeakPolarHBondContact O-CB 3.41Å; M279-R283 PolarHBondContact O-N 3.39Å
280E88.1Confident85.4Confident46 Ų4672.3 Ų72.322%0.21539%0.391CS..Hα-helixtrans-69.8-38.4-178-158.962.8-163.400111.9H276 Y278 S282 R283 L284 W313H276-E280 PolarHBondContact O-N 3.39Å; Y278-E280 PolarHBondContact O-N 3.33Å; E280-S282 VanDerWaalsContact C-N 3.32Å; E280-S282 PolarHBondContact O-N 3.26Å; E280-R283 PolarHBondContact O-N 3.11Å; E280-L284 HydrophobicContact CG-CD1 4.19Å; E280-L284 WeakPolarHBondContact O-CB 3.44Å; E280-L284 WeakPolarHBondContact O-CG 3.39Å; E280-L284 PolarHBondContact O-N 3.39Å; E280-W313 HydrophobicContact CB-CD2 3.89Å; E280-W313 HydrophobicContact CB-CE3 4.16Å; E280-W313 HydrophobicContact CB-CG 4.25Å; E280-W313 HydrophobicContact CB-CZ2 4.39Å; E280-W313 HydrophobicContact CG-CD2 3.93Å; E280-W313 HydrophobicContact CG-CG 4.29Å; E280-W313 HydrophobicContact CG-CH2 4.41Å; E280-W313 HydrophobicContact CG-CZ2 3.8Å
281Y87.8Confident84.6Confident48 Ų4875.6 Ų75.619%0.18841%0.409CS..Hα-helixtrans-57.5-45.5169.9169.2-98.4000111.8C277 Y278 R283 L284 R285 R310 L314 M317C277-Y281 WeakPolarHBondContact O-CB 3.14Å; C277-Y281 PolarHBondContact O-N 2.94Å; Y278-Y281 PolarHBondContact O-N 2.69Å; Y281-R283 VanDerWaalsContact C-N 3.33Å; Y281-R283 PolarHBondContact O-N 2.82Å; Y281-L284 PolarHBondContact O-N 3.06Å; Y281-R285 PolarHBondContact O-N 2.99Å; Y281-R285 VanDerWaalsContact O-N 3.13Å; Y281-R310 HydrophobicContact CD2-CG 3.48Å; Y281-R310 VanDerWaalsContact CD2-CG 3.48Å; Y281-R310 HydrophobicContact CE2-CG 3.44Å; Y281-R310 VanDerWaalsContact CE2-CG 3.44Å; Y281-L314 HydrophobicContact CD2-CB 3.98Å; Y281-L314 HydrophobicContact CE2-CB 4.05Å; Y281-L314 HydrophobicContact CE2-CD1 4.28Å; Y281-L314 HydrophobicContact CE2-CD2 4.43Å; Y281-L314 HydrophobicContact CE2-CG 4.49Å; Y281-M317 HydrophobicContact CD1-CE 4.39Å; Y281-M317 HydrophobicContact CG-CE 4.31Å
282S88.7Confident83.7Confident63 Ų6377 Ų7744%0.44141%0.411SS..Hα-helixtrans-66.6-35.7179.3-1700000112Y278 M279 E280Y278-S282 WeakPolarHBondContact O-CB 3.47Å; Y278-S282 PolarHBondContact O-N 3.25Å; M279-S282 PolarHBondContact O-N 2.99Å; E280-S282 VanDerWaalsContact C-N 3.32Å; E280-S282 PolarHBondContact O-N 3.26Å
283R87.2Confident82.4Confident171 Ų17171.7 Ų71.765%0.64540%0.396SS*.Hα-helixtrans-65.2-50175.8-177.4-175.7177.6171.21.1111.4M279 E280 Y281 R285 G286M279-R283 WeakPolarHBondContact O-CB 3.41Å; M279-R283 PolarHBondContact O-N 3.39Å; E280-R283 PolarHBondContact O-N 3.11Å; Y281-R283 VanDerWaalsContact C-N 3.33Å; Y281-R283 PolarHBondContact O-N 2.82Å; R283-R285 PolarHBondContact O-N 2.93Å; R283-G286 PolarHBondContact O-N 2.99Å
284L83.9Confident81.2Confident5 Ų574.7 Ų74.73%0.02641%0.407CS..Hα-helixtrans-68.2-20.5-177.9-72.6166.2000113.1E280 Y281 G286 E287 S290 R310 W313E280-L284 HydrophobicContact CG-CD1 4.19Å; E280-L284 WeakPolarHBondContact O-CB 3.44Å; E280-L284 WeakPolarHBondContact O-CG 3.39Å; E280-L284 PolarHBondContact O-N 3.39Å; Y281-L284 PolarHBondContact O-N 3.06Å; L284-G286 PolarHBondContact O-N 3.48Å; L284-E287 PolarHBondContact O-N 3.16Å; L284-S290 PolarHBondContact O-OG 3.43Å; L284-R310 HydrophobicContact CB-CB 4.35Å; L284-W313 HydrophobicContact CD1-CG 4.39Å
285R79.1Confident79.9Confident166 Ų16679 Ų7963%0.62644%0.435SS*.THydrogen-bonded Turntrans-61-22.2176.6-166.1176.2-175.6-174.31.4113.5Y281 R283Y281-R285 PolarHBondContact O-N 2.99Å; Y281-R285 VanDerWaalsContact O-N 3.13Å; R283-R285 PolarHBondContact O-N 2.93Å
286G72.6Confident78.6Confident78 Ų7879.8 Ų79.880%0.80444%0.444SS*.THydrogen-bonded Turntrans-97.5-0.9178.600000115.2R283 L284R283-G286 PolarHBondContact O-N 2.99Å; L284-G286 PolarHBondContact O-N 3.48Å
287E80Confident77.3Confident112 Ų11278.9 Ų78.952%0.52344%0.441SS..SBendtrans-106.4127.4-168.9-151.7163.6-158.700111.1L284 G289 S290L284-E287 PolarHBondContact O-N 3.16Å; E287-G289 PolarHBondContact O-N 3.41Å; E287-S290 PolarHBondContact O-OG 3.27Å
288A66.4Low76Confident110 Ų11080.3 Ų80.391%0.90946%0.457SS*.THydrogen-bonded Turntrans-69.4126.2-176.900000111.2
289G68.2Low73.9Confident63 Ų6384.1 Ų84.165%0.64948%0.477SS*.THydrogen-bonded Turntrans100.8-4.7179.900000115.5E287 D291E287-G289 PolarHBondContact O-N 3.41Å; G289-D291 VanDerWaalsContact C-N 3.31Å
290S72.4Confident72.6Confident7 Ų785.2 Ų85.25%0.04948%0.481CS..THydrogen-bonded Turntrans-81.3-7.5176.669.20000114.4L284 E287 R310L284-S290 PolarHBondContact O-OG 3.43Å; E287-S290 PolarHBondContact O-OG 3.27Å; S290-R310 WeakPolarHBondContact O-CB 3.46Å; S290-R310 PolarHBondContact O-N 3.41Å; S290-R310 VanDerWaalsContact O-N 3.09Å
291D73.3Confident71.1Confident95 Ų9589.6 Ų89.651%0.50851%0.511SS..THydrogen-bonded Turntrans-93.35.4-172.9-81.37.4000114.6G289 R310G289-D291 VanDerWaalsContact C-N 3.31Å; D291-R310 IonicContact OD1-CZ 2.94Å; D291-R310 IonicContact OD1-NE 2.94Å; D291-R310 PolarHBondContact OD1-NE 2.87Å; D291-R310 IonicContact OD1-NH1 3.72Å; D291-R310 PolarHBondContact OD1-NH1 3.18Å; D291-R310 IonicContact OD1-NH2 3.24Å; D291-R310 PolarHBondContact OD1-NH2 3.27Å; D291-R310 IonicContact OD2-CZ 3.05Å; D291-R310 IonicContact OD2-NH1 2.8Å; D291-R310 PolarHBondContact OD2-NH1 3.38Å; D291-R310 IonicContact OD2-NH2 3.43Å; D291-R310 PolarHBondContact OD2-NH2 2.94Å
292V74.1Confident69.9Low62 Ų6291.3 Ų91.338%0.37652%0.523SS..  trans-67.8137.7177.8-174.40000110.2D296 L297 L309V292-D296 HydrophobicContact CG1-CB 4.16Å; V292-L297 HydrophobicContact CB-CD1 4.03Å; V292-L297 HydrophobicContact CG1-CD1 3.66Å; V292-L297 HydrophobicContact CG1-CG 3.89Å; V292-L309 HydrophobicContact CB-CD2 4.14Å; V292-L309 WeakPolarHBondContact O-CD2 3.26Å
293S66.9Low68.5Low35 Ų3596.2 Ų96.225%0.24554%0.537CS..  trans-78.7147.3-178.688.60000111.9V295 D296 L297S293-V295 PolarHBondContact O-N 3.15Å; S293-V295 VanDerWaalsContact O-N 3.08Å; S293-D296 WeakPolarHBondContact CB-OD2 3.33Å; S293-D296 PolarHBondContact O-N 3.44Å; S293-D296 PolarHBondContact OG-N 3.37Å; S293-D296 PolarHBondContact OG-OD2 2.99Å; S293-L297 PolarHBondContact O-N 3.22Å
294L63.9Low67.7Low80 Ų8096.8 Ų96.842%0.41954%0.539SS..THydrogen-bonded Turntrans-59.9-21.8179.1-145.1109.8000113.3Y306L294-Y306 HydrophobicContact CD1-CD1 3.83Å; L294-Y306 HydrophobicContact CD1-CE1 4.14Å; L294-Y306 HydrophobicContact CD2-CE1 4.48Å; L294-Y306 HydrophobicContact CG-CD1 4.29Å; L294-Y306 HydrophobicContact CG-CE1 4.09Å
295V65.6Low67.2Low129 Ų12999.1 Ų99.178%0.78255%0.553SS**THydrogen-bonded Turntrans-78-35.3178.7-179.10000111S293S293-V295 PolarHBondContact O-N 3.15Å; S293-V295 VanDerWaalsContact O-N 3.08Å
296D67.1Low66.9Low126 Ų12692.8 Ų92.867%0.67453%0.53SS*.THydrogen-bonded Turntrans-75.8-24.9-178.9-60.9-41.8000112.8V292 S293V292-D296 HydrophobicContact CG1-CB 4.16Å; S293-D296 WeakPolarHBondContact CB-OD2 3.33Å; S293-D296 PolarHBondContact O-N 3.44Å; S293-D296 PolarHBondContact OG-N 3.37Å; S293-D296 PolarHBondContact OG-OD2 2.99Å
297L64.2Low67.2Low47 Ų4792.9 Ų92.925%0.24651%0.511CS..THydrogen-bonded Turntrans-80.5-17.6-179.7-85.8141.1000114.6V292 S293 Q300 V305 L309V292-L297 HydrophobicContact CB-CD1 4.03Å; V292-L297 HydrophobicContact CG1-CD1 3.66Å; V292-L297 HydrophobicContact CG1-CG 3.89Å; S293-L297 PolarHBondContact O-N 3.22Å; L297-Q300 PolarHBondContact O-NE2 3.38Å; L297-V305 HydrophobicContact CD2-CG1 4.06Å; L297-L309 HydrophobicContact CD1-CD1 3.52Å; L297-L309 HydrophobicContact CD1-CD2 3.53Å; L297-L309 HydrophobicContact CD1-CG 4.15Å
298G64.4Low67.2Low37 Ų3793.9 Ų93.938%0.38152%0.516SS..  trans62.3-175.6-171.600000113.7Q300 Y306G298-Q300 PolarHBondContact O-N 3.04Å; G298-Y306 PolarHBondContact O-OH 3.41Å
299F48.3Very low67.9Low209 Ų20989.1 Ų89.192%0.91748%0.475SS*.  trans-79.4102174.2-104.4-83.8000110.2
300Q63.3Low68.6Low101 Ų10189.2 Ų89.247%0.47246%0.455SS..  trans-93.3145.3170.8-65.2-63.8-28.800109.8L297 G298 Y306L297-Q300 PolarHBondContact O-NE2 3.38Å; G298-Q300 PolarHBondContact O-N 3.04Å; Q300-Y306 HydrophobicContact CB-CE2 4.25Å; Q300-Y306 PolarHBondContact N-OH 2.9Å
301T56.1Low69.1Low137 Ų13793.3 Ų93.384%0.8447%0.474SS*.SBendtrans-84.9-13.3179.850.40000113.2
302D61.4Low69.7Low85 Ų8589.3 Ų89.346%0.45545%0.453SS..  trans-91.7107.5177-166.8-14.5000111.3R304 V305D302-R304 PolarHBondContact O-N 2.81Å; D302-R304 WeakPolarHBondContact OD1-CB 3.39Å; D302-R304 WeakPolarHBondContact OD1-CG 3.16Å; D302-R304 PolarHBondContact OD1-N 3.16Å; D302-V305 HydrophobicContact CB-CG2 4.24Å; D302-V305 PolarHBondContact O-N 2.85Å
303F59.8Low70.4Confident165 Ų16588 Ų8872%0.72444%0.441SS*.Hα-helixtrans-62.8-21.2179.6-71.4-79.4000113.9V305 Y306 L307F303-V305 VanDerWaalsContact C-N 3.28Å; F303-V305 PolarHBondContact O-N 3.01Å; F303-Y306 PolarHBondContact O-N 2.94Å; F303-L307 PolarHBondContact O-N 3.42Å
304R71.4Confident71.4Confident183 Ų18389.4 Ų89.469%0.69145%0.446SS*.Hα-helixtrans-65.7-33.7180-65.3-178.8176.1-152.5-0.3112.2D302 Y306 L307 H308D302-R304 PolarHBondContact O-N 2.81Å; D302-R304 WeakPolarHBondContact OD1-CB 3.39Å; D302-R304 WeakPolarHBondContact OD1-CG 3.16Å; D302-R304 PolarHBondContact OD1-N 3.16Å; R304-Y306 VanDerWaalsContact C-N 3.27Å; R304-Y306 PolarHBondContact O-N 3.5Å; R304-L307 PolarHBondContact O-N 3.49Å; R304-L307 VanDerWaalsContact O-N 3.08Å; R304-H308 PolarHBondContact O-CD2 3.01Å; R304-H308 PolarHBondContact O-N 3.46Å
305V73.6Confident72.5Confident54 Ų5487.6 Ų87.633%0.32744%0.443SS..Hα-helixtrans-58.8-44.1176.8-178.80000110L297 D302 F303 L307 H308 L309L297-V305 HydrophobicContact CD2-CG1 4.06Å; D302-V305 HydrophobicContact CB-CG2 4.24Å; D302-V305 PolarHBondContact O-N 2.85Å; F303-V305 VanDerWaalsContact C-N 3.28Å; F303-V305 PolarHBondContact O-N 3.01Å; V305-L307 VanDerWaalsContact C-N 3.28Å; V305-L307 PolarHBondContact O-N 3.42Å; V305-H308 PolarHBondContact O-N 3.49Å; V305-L309 WeakPolarHBondContact O-CD1 3.38Å
306Y72.4Confident73.6Confident34 Ų3485.6 Ų85.613%0.13342%0.424CS..Hα-helixtrans-62.5-30.9176.8-63.2-70.5000113.4L294 G298 Q300 F303 R304 H308 L309 T312L294-Y306 HydrophobicContact CD1-CD1 3.83Å; L294-Y306 HydrophobicContact CD1-CE1 4.14Å; L294-Y306 HydrophobicContact CD2-CE1 4.48Å; L294-Y306 HydrophobicContact CG-CD1 4.29Å; L294-Y306 HydrophobicContact CG-CE1 4.09Å; G298-Y306 PolarHBondContact O-OH 3.41Å; Q300-Y306 HydrophobicContact CB-CE2 4.25Å; Q300-Y306 PolarHBondContact N-OH 2.9Å; F303-Y306 PolarHBondContact O-N 2.94Å; R304-Y306 VanDerWaalsContact C-N 3.27Å; R304-Y306 PolarHBondContact O-N 3.5Å; Y306-H308 VanDerWaalsContact C-N 3.33Å; Y306-L309 HydrophobicContact CD1-CD1 4.3Å; Y306-L309 PolarHBondContact O-N 2.91Å; Y306-T312 WeakPolarHBondContact O-CB 3.32Å; Y306-T312 WeakPolarHBondContact O-CG2 3.21Å; Y306-T312 PolarHBondContact O-OG1 2.9Å
307L78.2Confident74.8Confident80 Ų8081 Ų8142%0.41940%0.398SS..Hα-helixtrans-76.4-16.8178.3-65.2174.3000113.7F303 R304 V305 L309 W313 F316F303-L307 PolarHBondContact O-N 3.42Å; R304-L307 PolarHBondContact O-N 3.49Å; R304-L307 VanDerWaalsContact O-N 3.08Å; V305-L307 VanDerWaalsContact C-N 3.28Å; V305-L307 PolarHBondContact O-N 3.42Å; L307-L309 VanDerWaalsContact C-N 3.32Å; L307-W313 HydrophobicContact CD2-CZ2 4.25Å; L307-W313 PolarHBondContact O-NE1 2.76Å; L307-F316 HydrophobicContact CD2-CE2 4.12Å
308H79.9Confident76.1Confident133 Ų13383 Ų8362%0.61641%0.408SS*.THydrogen-bonded Turntrans-85.8-5.5173.5-73.4-70.7000113.2R304 V305 Y306R304-H308 PolarHBondContact O-CD2 3.01Å; R304-H308 PolarHBondContact O-N 3.46Å; V305-H308 PolarHBondContact O-N 3.49Å; Y306-H308 VanDerWaalsContact C-N 3.33Å
309L81.4Confident77.4Confident9 Ų986.2 Ų86.25%0.04742%0.416CS..  trans-91.1131.2-177.1-78.3141.9000112V292 L297 V305 Y306 L307 Q311 T312V292-L309 HydrophobicContact CB-CD2 4.14Å; V292-L309 WeakPolarHBondContact O-CD2 3.26Å; L297-L309 HydrophobicContact CD1-CD1 3.52Å; L297-L309 HydrophobicContact CD1-CD2 3.53Å; L297-L309 HydrophobicContact CD1-CG 4.15Å; V305-L309 WeakPolarHBondContact O-CD1 3.38Å; Y306-L309 HydrophobicContact CD1-CD1 4.3Å; Y306-L309 PolarHBondContact O-N 2.91Å; L307-L309 VanDerWaalsContact C-N 3.32Å; L309-Q311 VanDerWaalsContact C-N 3.28Å; L309-Q311 PolarHBondContact O-N 2.95Å; L309-T312 PolarHBondContact O-N 2.93Å
310R82.9Confident79.4Confident65 Ų6578.1 Ų78.125%0.24538%0.382CS..Hα-helixtrans-58.9-41.1176.6-175.5-174.973.9-167.1-6.5111.7Y281 L284 S290 D291 T312 W313 L314Y281-R310 HydrophobicContact CD2-CG 3.48Å; Y281-R310 VanDerWaalsContact CD2-CG 3.48Å; Y281-R310 HydrophobicContact CE2-CG 3.44Å; Y281-R310 VanDerWaalsContact CE2-CG 3.44Å; L284-R310 HydrophobicContact CB-CB 4.35Å; S290-R310 WeakPolarHBondContact O-CB 3.46Å; S290-R310 PolarHBondContact O-N 3.41Å; S290-R310 VanDerWaalsContact O-N 3.09Å; D291-R310 IonicContact OD1-CZ 2.94Å; D291-R310 IonicContact OD1-NE 2.94Å; D291-R310 PolarHBondContact OD1-NE 2.87Å; D291-R310 IonicContact OD1-NH1 3.72Å; D291-R310 PolarHBondContact OD1-NH1 3.18Å; D291-R310 IonicContact OD1-NH2 3.24Å; D291-R310 PolarHBondContact OD1-NH2 3.27Å; D291-R310 IonicContact OD2-CZ 3.05Å; D291-R310 IonicContact OD2-NH1 2.8Å; D291-R310 PolarHBondContact OD2-NH1 3.38Å; D291-R310 IonicContact OD2-NH2 3.43Å; D291-R310 PolarHBondContact OD2-NH2 2.94Å; R310-T312 VanDerWaalsContact C-N 3.27Å; R310-T312 PolarHBondContact O-N 2.86Å; R310-W313 PolarHBondContact O-N 3.41Å; R310-L314 PolarHBondContact O-N 2.74Å
311Q83.4Confident80.9Confident94 Ų9475.4 Ų75.444%0.43937%0.374SS..Hα-helixtrans-63.5-32.2-177.5-165.6176.56.500112.4L309 L314 A315L309-Q311 VanDerWaalsContact C-N 3.28Å; L309-Q311 PolarHBondContact O-N 2.95Å; Q311-L314 PolarHBondContact O-N 2.93Å; Q311-A315 WeakPolarHBondContact O-CB 3.18Å; Q311-A315 PolarHBondContact O-N 3.18Å
312T85.3Confident82.7Confident11 Ų1173.5 Ų73.57%0.06736%0.357CS..Hα-helixtrans-67-46.1178.8-53.30000111.4Y306 L309 R310 L314 A315 F316Y306-T312 WeakPolarHBondContact O-CB 3.32Å; Y306-T312 WeakPolarHBondContact O-CG2 3.21Å; Y306-T312 PolarHBondContact O-OG1 2.9Å; L309-T312 PolarHBondContact O-N 2.93Å; R310-T312 VanDerWaalsContact C-N 3.27Å; R310-T312 PolarHBondContact O-N 2.86Å; T312-L314 VanDerWaalsContact C-N 3.33Å; T312-L314 PolarHBondContact O-N 2.91Å; T312-A315 PolarHBondContact O-N 3.2Å; T312-F316 HydrophobicContact CG2-CD2 4.17Å; T312-F316 HydrophobicContact CG2-CE1 4.19Å; T312-F316 HydrophobicContact CG2-CE2 3.67Å; T312-F316 HydrophobicContact CG2-CZ 3.67Å; T312-F316 WeakPolarHBondContact O-CG 3.48Å; T312-F316 PolarHBondContact O-N 3.38Å
313W88.3Confident84.1Confident34 Ų3473 Ų7313%0.12935%0.354CS..Hα-helixtrans-66.2-35.6178.1-69.5102.3000112.5H276 C277 E280 L284 L307 R310 F316 M317H276-W313 AromaticContact ND1-CZ3 3.88Å; C277-W313 HydrophobicContact CB-CE3 4.05Å; E280-W313 HydrophobicContact CB-CD2 3.89Å; E280-W313 HydrophobicContact CB-CE3 4.16Å; E280-W313 HydrophobicContact CB-CG 4.25Å; E280-W313 HydrophobicContact CB-CZ2 4.39Å; E280-W313 HydrophobicContact CG-CD2 3.93Å; E280-W313 HydrophobicContact CG-CG 4.29Å; E280-W313 HydrophobicContact CG-CH2 4.41Å; E280-W313 HydrophobicContact CG-CZ2 3.8Å; L284-W313 HydrophobicContact CD1-CG 4.39Å; L307-W313 HydrophobicContact CD2-CZ2 4.25Å; L307-W313 PolarHBondContact O-NE1 2.76Å; R310-W313 PolarHBondContact O-N 3.41Å; W313-F316 HydrophobicContact CE3-CD2 4.29Å; W313-F316 PolarHBondContact O-N 3.22Å; W313-M317 WeakPolarHBondContact O-CB 3.4Å; W313-M317 PolarHBondContact O-N 3.21Å
314L87.9Confident85.6Confident64 Ų6466 Ų6634%0.33532%0.324SS..Hα-helixtrans-63-45.1171.3-177.265.6000111.6Y281 R310 Q311 T312 M317 I318Y281-L314 HydrophobicContact CD2-CB 3.98Å; Y281-L314 HydrophobicContact CE2-CB 4.05Å; Y281-L314 HydrophobicContact CE2-CD1 4.28Å; Y281-L314 HydrophobicContact CE2-CD2 4.43Å; Y281-L314 HydrophobicContact CE2-CG 4.49Å; R310-L314 PolarHBondContact O-N 2.74Å; Q311-L314 PolarHBondContact O-N 2.93Å; T312-L314 VanDerWaalsContact C-N 3.33Å; T312-L314 PolarHBondContact O-N 2.91Å; L314-M317 WeakPolarHBondContact O-CB 3.39Å; L314-M317 PolarHBondContact O-N 3.36Å; L314-I318 HydrophobicContact CD1-CD1 4.43Å; L314-I318 HydrophobicContact CG-CD1 4.17Å; L314-I318 WeakPolarHBondContact O-CG1 3.47Å; L314-I318 PolarHBondContact O-N 3.38Å
315A87.3Confident86.6Confident43 Ų4361.2 Ų61.236%0.35532%0.315SS..Hα-helixtrans-62.2-45176.900000111.8Q311 T312 M317 I318 I319Q311-A315 WeakPolarHBondContact O-CB 3.18Å; Q311-A315 PolarHBondContact O-N 3.18Å; T312-A315 PolarHBondContact O-N 3.2Å; A315-M317 VanDerWaalsContact C-N 3.35Å; A315-M317 PolarHBondContact O-N 3.39Å; A315-I318 PolarHBondContact O-N 2.84Å; A315-I319 WeakPolarHBondContact O-CB 3.3Å; A315-I319 VanDerWaalsContact O-CG1 3.25Å; A315-I319 WeakPolarHBondContact O-CG1 3.48Å; A315-I319 PolarHBondContact O-N 3.13Å
316F88.6Confident87.4Confident87 Ų8762.7 Ų62.738%0.38232%0.32SS..Hα-helixtrans-60-43.5174.8-70-16.9000112.2L307 T312 W313 I318 I319 L320L307-F316 HydrophobicContact CD2-CE2 4.12Å; T312-F316 HydrophobicContact CG2-CD2 4.17Å; T312-F316 HydrophobicContact CG2-CE1 4.19Å; T312-F316 HydrophobicContact CG2-CE2 3.67Å; T312-F316 HydrophobicContact CG2-CZ 3.67Å; T312-F316 WeakPolarHBondContact O-CG 3.48Å; T312-F316 PolarHBondContact O-N 3.38Å; W313-F316 HydrophobicContact CE3-CD2 4.29Å; W313-F316 PolarHBondContact O-N 3.22Å; F316-I318 PolarHBondContact O-N 3.07Å; F316-I319 PolarHBondContact O-N 3.04Å; F316-L320 VanDerWaalsContact O-CB 3.3Å; F316-L320 WeakPolarHBondContact O-CB 3.43Å; F316-L320 VanDerWaalsContact O-CG 3.23Å; F316-L320 WeakPolarHBondContact O-CG 3.26Å; F316-L320 PolarHBondContact O-N 3.5Å
317M91.9Very high88Confident29 Ų2962.4 Ų62.414%0.14332%0.32CS..Hα-helixtrans-58.9-46.4176.2-170.7-165.1-46.600112.1I274 C277 Y278 Y281 W313 L314 A315 S321I274-M317 HydrophobicContact CG2-CG 4.13Å; C277-M317 HydrophobicContact CB-CB 4.02Å; Y278-M317 VanDerWaalsContact CA-CE 3.46Å; Y278-M317 HydrophobicContact CD2-CE 4.11Å; Y278-M317 HydrophobicContact CD2-SD 4.45Å; Y281-M317 HydrophobicContact CD1-CE 4.39Å; Y281-M317 HydrophobicContact CG-CE 4.31Å; W313-M317 WeakPolarHBondContact O-CB 3.4Å; W313-M317 PolarHBondContact O-N 3.21Å; L314-M317 WeakPolarHBondContact O-CB 3.39Å; L314-M317 PolarHBondContact O-N 3.36Å; A315-M317 VanDerWaalsContact C-N 3.35Å; A315-M317 PolarHBondContact O-N 3.39Å; M317-S321 VanDerWaalsContact O-CB 3.32Å; M317-S321 WeakPolarHBondContact O-CB 3.35Å; M317-S321 PolarHBondContact O-N 3.35Å; M317-S321 PolarHBondContact O-OG 2.82Å
318I92.4Very high88.6Confident89 Ų8961.8 Ų61.846%0.45632%0.317SS..Hα-helixtrans-63.6-47.5178.7-67167000110.6L314 A315 F316 S321 I322L314-I318 HydrophobicContact CD1-CD1 4.43Å; L314-I318 HydrophobicContact CG-CD1 4.17Å; L314-I318 WeakPolarHBondContact O-CG1 3.47Å; L314-I318 PolarHBondContact O-N 3.38Å; A315-I318 PolarHBondContact O-N 2.84Å; F316-I318 PolarHBondContact O-N 3.07Å; I318-S321 PolarHBondContact O-N 3.3Å; I318-I322 HydrophobicContact CG2-CD1 3.83Å; I318-I322 WeakPolarHBondContact O-CG1 3.42Å; I318-I322 PolarHBondContact O-N 2.86Å
319I90.7Very high89Confident104 Ų10459.4 Ų59.453%0.53331%0.308SS..Hα-helixtrans-61.2-47.4179.8-68.5166.3000110.7A315 F316 S321 I322 L323A315-I319 WeakPolarHBondContact O-CB 3.3Å; A315-I319 VanDerWaalsContact O-CG1 3.25Å; A315-I319 WeakPolarHBondContact O-CG1 3.48Å; A315-I319 PolarHBondContact O-N 3.13Å; F316-I319 PolarHBondContact O-N 3.04Å; I319-S321 VanDerWaalsContact C-N 3.33Å; I319-S321 PolarHBondContact O-N 3.3Å; I319-I322 PolarHBondContact O-N 3.43Å; I319-L323 WeakPolarHBondContact O-CB 3.45Å; I319-L323 PolarHBondContact O-N 3.01Å
320L92.3Very high89Confident40 Ų4063.4 Ų63.421%0.20933%0.329CS..Hα-helixtrans-63.7-38.5178.5-71.3173.6000111.8L270 I274 F316 L323 E324L270-L320 HydrophobicContact CD2-CD2 3.89Å; I274-L320 HydrophobicContact CD1-CB 4.47Å; I274-L320 HydrophobicContact CG1-CB 3.72Å; F316-L320 VanDerWaalsContact O-CB 3.3Å; F316-L320 WeakPolarHBondContact O-CB 3.43Å; F316-L320 VanDerWaalsContact O-CG 3.23Å; F316-L320 WeakPolarHBondContact O-CG 3.26Å; F316-L320 PolarHBondContact O-N 3.5Å; L320-L323 PolarHBondContact O-N 3.01Å; L320-E324 WeakPolarHBondContact O-CB 3.27Å; L320-E324 PolarHBondContact O-N 3.42Å
321S94Very high89.1Confident43 Ų4362 Ų6230%0.30133%0.326SS..Hα-helixtrans-65.8-43.6177-58.20000112.1M317 I318 I319 L323 E324 V325M317-S321 VanDerWaalsContact O-CB 3.32Å; M317-S321 WeakPolarHBondContact O-CB 3.35Å; M317-S321 PolarHBondContact O-N 3.35Å; M317-S321 PolarHBondContact O-OG 2.82Å; I318-S321 PolarHBondContact O-N 3.3Å; I319-S321 VanDerWaalsContact C-N 3.33Å; I319-S321 PolarHBondContact O-N 3.3Å; S321-L323 VanDerWaalsContact C-N 3.35Å; S321-E324 PolarHBondContact O-N 2.95Å; S321-V325 WeakPolarHBondContact O-CG2 3.36Å; S321-V325 PolarHBondContact O-N 3.22Å; S321-V325 VanDerWaalsContact O-N 3.07Å
322I93.9Very high89.2Confident97 Ų9762.8 Ų62.850%0.49733%0.333SS..Hα-helixtrans-62.4-45.2175.2-68.8168.3000110.2I318 I319 E324 V325 I326I318-I322 HydrophobicContact CG2-CD1 3.83Å; I318-I322 WeakPolarHBondContact O-CG1 3.42Å; I318-I322 PolarHBondContact O-N 2.86Å; I319-I322 PolarHBondContact O-N 3.43Å; I322-E324 VanDerWaalsContact C-N 3.35Å; I322-E324 PolarHBondContact O-N 2.83Å; I322-V325 PolarHBondContact O-N 3.19Å; I322-I326 HydrophobicContact CG2-CD1 3.72Å; I322-I326 HydrophobicContact CG2-CG1 4.42Å; I322-I326 VanDerWaalsContact O-CG1 3.28Å; I322-I326 WeakPolarHBondContact O-CG1 3.44Å; I322-I326 PolarHBondContact O-N 3.24Å
323L89.7Confident89.2Confident75 Ų7570 Ų7039%0.39336%0.363SS..Hα-helixtrans-59.7-45.5178.7-17963.7000111.6L270 I319 L320 S321 I326 I327L270-L323 HydrophobicContact CD2-CD2 4.15Å; I319-L323 WeakPolarHBondContact O-CB 3.45Å; I319-L323 PolarHBondContact O-N 3.01Å; L320-L323 PolarHBondContact O-N 3.01Å; S321-L323 VanDerWaalsContact C-N 3.35Å; L323-I326 PolarHBondContact O-N 3.47Å; L323-I327 HydrophobicContact CD1-CD1 4.13Å; L323-I327 HydrophobicContact CD1-CG1 4.49Å; L323-I327 HydrophobicContact CG-CD1 3.95Å; L323-I327 VanDerWaalsContact O-CG1 3.31Å; L323-I327 WeakPolarHBondContact O-CG1 3.42Å; L323-I327 PolarHBondContact O-N 3.38Å
324E92.5Very high88.9Confident18 Ų1870.4 Ų70.48%0.08437%0.368CS..Hα-helixtrans-60.6-46.9178.4-176.860.7-163.500111.7I267 L270 I274 L320 S321 I322 I326 I327 I328I267-E324 WeakPolarHBondContact CA-OE1 3.48Å; I267-E324 VanDerWaalsContact CG2-OE1 3.29Å; I267-E324 WeakPolarHBondContact CG2-OE1 3.48Å; L270-E324 WeakPolarHBondContact CB-OE2 3.27Å; L270-E324 WeakPolarHBondContact CD1-OE2 3.2Å; I274-E324 HydrophobicContact CD1-CB 4.21Å; I274-E324 HydrophobicContact CD1-CG 4.5Å; L320-E324 WeakPolarHBondContact O-CB 3.27Å; L320-E324 PolarHBondContact O-N 3.42Å; S321-E324 PolarHBondContact O-N 2.95Å; I322-E324 VanDerWaalsContact C-N 3.35Å; I322-E324 PolarHBondContact O-N 2.83Å; E324-I326 PolarHBondContact O-N 3.18Å; E324-I327 PolarHBondContact O-N 2.84Å; E324-I328 HydrophobicContact CG-CD1 4.1Å; E324-I328 WeakPolarHBondContact O-CG1 3.45Å; E324-I328 PolarHBondContact O-N 2.92Å
325V92.9Very high88.8Confident83 Ų8375.2 Ų75.250%0.50338%0.381SS..Hα-helixtrans-60.9-44.1176.9171.10000111.3S321 I322 I327 I328 L329S321-V325 WeakPolarHBondContact O-CG2 3.36Å; S321-V325 PolarHBondContact O-N 3.22Å; S321-V325 VanDerWaalsContact O-N 3.07Å; I322-V325 PolarHBondContact O-N 3.19Å; V325-I327 VanDerWaalsContact C-N 3.34Å; V325-I327 PolarHBondContact O-N 3.48Å; V325-I328 PolarHBondContact O-N 2.97Å; V325-L329 HydrophobicContact CG1-CD1 3.94Å; V325-L329 HydrophobicContact CG1-CG 4.4Å; V325-L329 WeakPolarHBondContact O-CB 3.46Å; V325-L329 VanDerWaalsContact O-CG 3.31Å; V325-L329 WeakPolarHBondContact O-CG 3.46Å; V325-L329 PolarHBondContact O-N 3.4Å
326I88.8Confident88.5Confident85 Ų8581.6 Ų81.644%0.43640%0.401SS..Hα-helixtrans-60.6-45.1177.3-70.6169000110.6I322 L323 E324 L329 L330I322-I326 HydrophobicContact CG2-CD1 3.72Å; I322-I326 HydrophobicContact CG2-CG1 4.42Å; I322-I326 VanDerWaalsContact O-CG1 3.28Å; I322-I326 WeakPolarHBondContact O-CG1 3.44Å; I322-I326 PolarHBondContact O-N 3.24Å; L323-I326 PolarHBondContact O-N 3.47Å; E324-I326 PolarHBondContact O-N 3.18Å; I326-L329 PolarHBondContact O-N 2.93Å; I326-L330 HydrophobicContact CG2-CD1 3.93Å; I326-L330 HydrophobicContact CG2-CG 4.38Å; I326-L330 WeakPolarHBondContact O-CB 3.37Å; I326-L330 VanDerWaalsContact O-CG 3.27Å; I326-L330 WeakPolarHBondContact O-CG 3.35Å; I326-L330 PolarHBondContact O-N 2.84Å
327I86.6Confident88.2Confident27 Ų2781.6 Ų81.614%0.13840%0.399CS..Hα-helixtrans-61.4-47.6179-71.5167.7000110.6L270 L323 E324 V325 L329 L330 L331L270-I327 HydrophobicContact CD1-CD1 3.51Å; L323-I327 HydrophobicContact CD1-CD1 4.13Å; L323-I327 HydrophobicContact CD1-CG1 4.49Å; L323-I327 HydrophobicContact CG-CD1 3.95Å; L323-I327 VanDerWaalsContact O-CG1 3.31Å; L323-I327 WeakPolarHBondContact O-CG1 3.42Å; L323-I327 PolarHBondContact O-N 3.38Å; E324-I327 PolarHBondContact O-N 2.84Å; V325-I327 VanDerWaalsContact C-N 3.34Å; V325-I327 PolarHBondContact O-N 3.48Å; I327-L329 PolarHBondContact O-N 3.31Å; I327-L330 PolarHBondContact O-N 2.75Å; I327-L331 HydrophobicContact CG2-CD1 3.92Å; I327-L331 HydrophobicContact CG2-CG 4.42Å; I327-L331 VanDerWaalsContact O-CG 3.27Å; I327-L331 WeakPolarHBondContact O-CG 3.49Å; I327-L331 PolarHBondContact O-N 2.93Å
328I89.1Confident87.7Confident67 Ų6780.5 Ų80.534%0.34439%0.393SS..Hα-helixtrans-60.2-46178.7-68.6170.7000111.1I267 E324 V325 L330 L331 I332I267-I328 HydrophobicContact CD1-CG1 4.47Å; E324-I328 HydrophobicContact CG-CD1 4.1Å; E324-I328 WeakPolarHBondContact O-CG1 3.45Å; E324-I328 PolarHBondContact O-N 2.92Å; V325-I328 PolarHBondContact O-N 2.97Å; I328-L330 PolarHBondContact O-N 2.93Å; I328-L331 PolarHBondContact O-N 2.98Å; I328-I332 HydrophobicContact CG2-CD1 3.93Å; I328-I332 WeakPolarHBondContact O-CG1 3.32Å; I328-I332 PolarHBondContact O-N 3.34Å
329L88.5Confident87.3Confident84 Ų8479.7 Ų79.744%0.4439%0.39SS..Hα-helixtrans-59.4-46.5177.1-72.5172.6000111.4V325 I326 I327 L331 I332 F333V325-L329 HydrophobicContact CG1-CD1 3.94Å; V325-L329 HydrophobicContact CG1-CG 4.4Å; V325-L329 WeakPolarHBondContact O-CB 3.46Å; V325-L329 VanDerWaalsContact O-CG 3.31Å; V325-L329 WeakPolarHBondContact O-CG 3.46Å; V325-L329 PolarHBondContact O-N 3.4Å; I326-L329 PolarHBondContact O-N 2.93Å; I327-L329 PolarHBondContact O-N 3.31Å; L329-L331 VanDerWaalsContact C-N 3.32Å; L329-L331 PolarHBondContact O-N 2.83Å; L329-I332 PolarHBondContact O-N 2.92Å; L329-F333 HydrophobicContact CB-CD2 4.46Å; L329-F333 HydrophobicContact CB-CE2 4.45Å; L329-F333 HydrophobicContact CD2-CE2 4.27Å; L329-F333 WeakPolarHBondContact O-CD2 3.36Å; L329-F333 PolarHBondContact O-N 3.41Å
330L82.9Confident86.9Confident93 Ų9376 Ų7649%0.48737%0.371SS..Hα-helixtrans-58.9-42.2176.9-72.5173000112I326 I327 I328 I332 L334I326-L330 HydrophobicContact CG2-CD1 3.93Å; I326-L330 HydrophobicContact CG2-CG 4.38Å; I326-L330 WeakPolarHBondContact O-CB 3.37Å; I326-L330 VanDerWaalsContact O-CG 3.27Å; I326-L330 WeakPolarHBondContact O-CG 3.35Å; I326-L330 PolarHBondContact O-N 2.84Å; I327-L330 PolarHBondContact O-N 2.75Å; I328-L330 PolarHBondContact O-N 2.93Å; L330-I332 PolarHBondContact O-N 2.79Å; L330-L334 HydrophobicContact CD2-CD1 4.48Å; L330-L334 WeakPolarHBondContact O-CB 3.35Å; L330-L334 WeakPolarHBondContact O-CG 3.27Å; L330-L334 PolarHBondContact O-N 3.39Å
331L84.2Confident86.4Confident34 Ų3474.1 Ų74.118%0.17836%0.361CS..Hα-helixtrans-63.6-39.7178.4-69.1168.5000112.3I263 I267 I327 I328 L329 R335 I338I263-L331 HydrophobicContact CD1-CD2 3.86Å; I263-L331 HydrophobicContact CG1-CD2 4.08Å; I263-L331 HydrophobicContact CG2-CD1 3.42Å; I263-L331 VanDerWaalsContact CG2-CD1 3.42Å; I263-L331 HydrophobicContact CG2-CD2 3.86Å; I263-L331 HydrophobicContact CG2-CG 4.28Å; I267-L331 HydrophobicContact CD1-CD1 3.97Å; I327-L331 HydrophobicContact CG2-CD1 3.92Å; I327-L331 HydrophobicContact CG2-CG 4.42Å; I327-L331 VanDerWaalsContact O-CG 3.27Å; I327-L331 WeakPolarHBondContact O-CG 3.49Å; I327-L331 PolarHBondContact O-N 2.93Å; I328-L331 PolarHBondContact O-N 2.98Å; L329-L331 VanDerWaalsContact C-N 3.32Å; L329-L331 PolarHBondContact O-N 2.83Å; L331-R335 PolarHBondContact O-N 3.34Å; L331-I338 HydrophobicContact CD2-CD1 3.99Å
332I86Confident86Confident112 Ų11273 Ų7357%0.57435%0.351SS*.Hα-helixtrans-66.5-52.9177.9-66.4168.2000110.4I328 L329 L330 L334 R335I328-I332 HydrophobicContact CG2-CD1 3.93Å; I328-I332 WeakPolarHBondContact O-CG1 3.32Å; I328-I332 PolarHBondContact O-N 3.34Å; L329-I332 PolarHBondContact O-N 2.92Å; L330-I332 PolarHBondContact O-N 2.79Å; I332-L334 VanDerWaalsContact C-N 3.32Å; I332-L334 PolarHBondContact O-N 3.11Å; I332-R335 PolarHBondContact O-N 2.79Å
333F84.9Confident85.6Confident163 Ų16368.9 Ų68.972%0.71533%0.332SS*.Hα-helixtrans-65.4-34.4-177.3-75.7-66.1000112.8L329L329-F333 HydrophobicContact CB-CD2 4.46Å; L329-F333 HydrophobicContact CB-CE2 4.45Å; L329-F333 HydrophobicContact CD2-CE2 4.27Å; L329-F333 WeakPolarHBondContact O-CD2 3.36Å; L329-F333 PolarHBondContact O-N 3.41Å
334L81.7Confident85.3Confident42 Ų4265.5 Ų65.522%0.2231%0.314CS..Hα-helixtrans-942.5-175.4-55.6-179.8000113.7L330 I332 K336 R337 I338 V591 V595L330-L334 HydrophobicContact CD2-CD1 4.48Å; L330-L334 WeakPolarHBondContact O-CB 3.35Å; L330-L334 WeakPolarHBondContact O-CG 3.27Å; L330-L334 PolarHBondContact O-N 3.39Å; I332-L334 VanDerWaalsContact C-N 3.32Å; I332-L334 PolarHBondContact O-N 3.11Å; L334-K336 VanDerWaalsContact C-N 3.34Å; L334-K336 PolarHBondContact O-N 3.49Å; L334-K336 VanDerWaalsContact O-N 3.13Å; L334-R337 CarbonylContact O-C 3.51Å; L334-R337 WeakPolarHBondContact O-CA 3.49Å; L334-R337 WeakPolarHBondContact O-CB 3.12Å; L334-R337 PolarHBondContact O-N 2.98Å; L334-I338 HydrophobicContact CB-CD1 4.13Å; L334-I338 HydrophobicContact CB-CG1 4.19Å; L334-I338 WeakPolarHBondContact O-CG1 3.15Å; L334-I338 PolarHBondContact O-N 3.4Å; L334-V591 HydrophobicContact CB-CG1 4.46Å; L334-V591 HydrophobicContact CD1-CG1 4.22Å; L334-V591 HydrophobicContact CD2-CG1 3.76Å; L334-V591 HydrophobicContact CD2-CG2 3.91Å; L334-V591 HydrophobicContact CG-CG1 4.36Å; L334-V595 HydrophobicContact CD1-CG2 4.42Å
335R85Confident85Confident165 Ų16564.8 Ų64.862%0.62331%0.311SS*.Hα-helixtrans-44.4-51.6-176.4179.6-178.1174.9-170.80.4114.1L331 I332 R337 I338 L339L331-R335 PolarHBondContact O-N 3.34Å; I332-R335 PolarHBondContact O-N 2.79Å; R335-R337 VanDerWaalsContact C-N 3.28Å; R335-R337 PolarHBondContact O-N 3.5Å; R335-I338 PolarHBondContact O-N 3.4Å; R335-L339 WeakPolarHBondContact O-CG 3.17Å; R335-L339 PolarHBondContact O-N 2.89Å
336K81.5Confident84.7Confident177 Ų17764.2 Ų64.277%0.7730%0.301SS*.Hα-helixtrans-64.1-34.5-179.6-69.7-174.2179.8179.40112.3L334L334-K336 VanDerWaalsContact C-N 3.34Å; L334-K336 PolarHBondContact O-N 3.49Å; L334-K336 VanDerWaalsContact O-N 3.13Å
337R82.5Confident84.7Confident86 Ų8661.1 Ų61.133%0.32529%0.285SS..Hα-helixtrans-77.9-36.9-179.8-58.3-69-171.8-162.6-0.6111.4L334 R335 L339 I340 A341 V591L334-R337 CarbonylContact O-C 3.51Å; L334-R337 WeakPolarHBondContact O-CA 3.49Å; L334-R337 WeakPolarHBondContact O-CB 3.12Å; L334-R337 PolarHBondContact O-N 2.98Å; R335-R337 VanDerWaalsContact C-N 3.28Å; R335-R337 PolarHBondContact O-N 3.5Å; R337-L339 VanDerWaalsContact C-N 3.26Å; R337-L339 PolarHBondContact O-N 3.47Å; R337-I340 WeakPolarHBondContact O-CB 3.22Å; R337-I340 PolarHBondContact O-N 3.4Å; R337-I340 VanDerWaalsContact O-N 3.08Å; R337-A341 PolarHBondContact O-N 3.23Å; R337-V591 HydrophobicContact CB-CB 4.41Å; R337-V591 HydrophobicContact CB-CG1 3.36Å; R337-V591 HydrophobicContact CG-CB 4.43Å; R337-V591 HydrophobicContact CG-CG1 3.76Å
338I82Confident84.8Confident7 Ų759.8 Ų59.84%0.03628%0.278CS..Hα-helixtrans-58.2-40.5172.3-66.9167000110.2V259 L331 L334 R335 I340 A341 I342 V595V259-I338 HydrophobicContact CG1-CG2 4.49Å; L331-I338 HydrophobicContact CD2-CD1 3.99Å; L334-I338 HydrophobicContact CB-CD1 4.13Å; L334-I338 HydrophobicContact CB-CG1 4.19Å; L334-I338 WeakPolarHBondContact O-CG1 3.15Å; L334-I338 PolarHBondContact O-N 3.4Å; R335-I338 PolarHBondContact O-N 3.4Å; I338-I340 VanDerWaalsContact C-N 3.33Å; I338-I340 PolarHBondContact O-N 2.85Å; I338-A341 PolarHBondContact O-N 3.18Å; I338-I342 HydrophobicContact CG2-CD1 3.79Å; I338-I342 HydrophobicContact CG2-CG1 4.27Å; I338-I342 VanDerWaalsContact O-CG1 3.26Å; I338-I342 WeakPolarHBondContact O-CG1 3.25Å; I338-I342 PolarHBondContact O-N 2.96Å; I338-V595 HydrophobicContact CG1-CG1 4.13Å; I338-V595 HydrophobicContact CG1-CG2 3.99Å
339L83.6Confident84.7Confident72 Ų7256.8 Ų56.838%0.37726%0.263SS..Hα-helixtrans-61.2-39.2174.8-68.2172.6000113R335 R337 I342 A343R335-L339 WeakPolarHBondContact O-CG 3.17Å; R335-L339 PolarHBondContact O-N 2.89Å; R337-L339 VanDerWaalsContact C-N 3.26Å; R337-L339 PolarHBondContact O-N 3.47Å; L339-I342 PolarHBondContact O-N 3.4Å; L339-A343 PolarHBondContact O-N 2.89Å
340I81.9Confident84.7Confident27 Ų2757 Ų5714%0.13826%0.258CS..Hα-helixtrans-66.8-44.1174.9-61.4168000110.3R337 I338 I342 A343 L344 L690 L693R337-I340 WeakPolarHBondContact O-CB 3.22Å; R337-I340 PolarHBondContact O-N 3.4Å; R337-I340 VanDerWaalsContact O-N 3.08Å; I338-I340 VanDerWaalsContact C-N 3.33Å; I338-I340 PolarHBondContact O-N 2.85Å; I340-I342 PolarHBondContact O-N 3.44Å; I340-A343 WeakPolarHBondContact O-CB 3.28Å; I340-A343 PolarHBondContact O-N 2.77Å; I340-L344 HydrophobicContact CG2-CD1 3.99Å; I340-L344 PolarHBondContact O-N 3.29Å; I340-L690 HydrophobicContact CG2-CD1 4.46Å; I340-L693 HydrophobicContact CB-CD2 4.13Å; I340-L693 HydrophobicContact CG1-CD2 3.54Å; I340-L693 HydrophobicContact CG1-CG 4.3Å
341A83.1Confident85Confident0 Ų052.5 Ų52.50%024%0.235CC..Hα-helixtrans-60.7-43.5176.400000111.5R337 I338 A343 L344 I345 V595R337-A341 PolarHBondContact O-N 3.23Å; I338-A341 PolarHBondContact O-N 3.18Å; A341-A343 VanDerWaalsContact C-N 3.33Å; A341-A343 PolarHBondContact O-N 3.26Å; A341-L344 PolarHBondContact O-N 2.82Å; A341-I345 WeakPolarHBondContact O-CB 3.45Å; A341-I345 WeakPolarHBondContact O-CG1 3.5Å; A341-I345 PolarHBondContact O-N 3.03Å; A341-V595 HydrophobicContact CB-CB 4.37Å; A341-V595 HydrophobicContact CB-CG1 3.78Å
342I84.8Confident85.3Confident19 Ų1951 Ų5110%0.09723%0.227CC..Hα-helixtrans-59.8-43.2174.4-69.5165.8000110.9V259 I338 L339 I340 I345 K346V259-I342 HydrophobicContact CB-CD1 4.21Å; V259-I342 HydrophobicContact CB-CG1 4.23Å; V259-I342 HydrophobicContact CG1-CD1 3.89Å; V259-I342 HydrophobicContact CG1-CG1 4.06Å; V259-I342 HydrophobicContact CG2-CG1 4.2Å; I338-I342 HydrophobicContact CG2-CD1 3.79Å; I338-I342 HydrophobicContact CG2-CG1 4.27Å; I338-I342 VanDerWaalsContact O-CG1 3.26Å; I338-I342 WeakPolarHBondContact O-CG1 3.25Å; I338-I342 PolarHBondContact O-N 2.96Å; L339-I342 PolarHBondContact O-N 3.4Å; I340-I342 PolarHBondContact O-N 3.44Å; I342-I345 PolarHBondContact O-N 2.83Å; I342-K346 WeakPolarHBondContact O-CB 3.45Å; I342-K346 PolarHBondContact O-N 2.82Å
343A84.8Confident85.3Confident11 Ų1146.8 Ų46.89%0.09121%0.211CC..Hα-helixtrans-62.7-44.5177.500000111.6L339 I340 A341 K346 E347 L690 L693L339-A343 PolarHBondContact O-N 2.89Å; I340-A343 WeakPolarHBondContact O-CB 3.28Å; I340-A343 PolarHBondContact O-N 2.77Å; A341-A343 VanDerWaalsContact C-N 3.33Å; A341-A343 PolarHBondContact O-N 3.26Å; A343-K346 PolarHBondContact O-N 2.88Å; A343-E347 WeakPolarHBondContact O-CG 3.29Å; A343-E347 PolarHBondContact O-N 3.4Å; A343-L690 HydrophobicContact CB-CD1 4.27Å; A343-L693 HydrophobicContact CB-CD2 4.19Å
344L83.9Confident85.4Confident4 Ų444.3 Ų44.32%0.02120%0.198CC..Hα-helixtrans-68-40.5177.8-74.7167.5000112.5I340 A341 K346 E347 A348 L592 F666 L690I340-L344 HydrophobicContact CG2-CD1 3.99Å; I340-L344 PolarHBondContact O-N 3.29Å; A341-L344 PolarHBondContact O-N 2.82Å; L344-K346 VanDerWaalsContact C-N 3.32Å; L344-K346 PolarHBondContact O-N 3.44Å; L344-E347 PolarHBondContact O-N 2.98Å; L344-A348 WeakPolarHBondContact O-CB 3.5Å; L344-A348 PolarHBondContact O-N 2.87Å; L344-L592 HydrophobicContact CD1-CD1 3.22Å; L344-F666 HydrophobicContact CD1-CD2 3.72Å; L344-F666 HydrophobicContact CD1-CE2 4.46Å; L344-L690 HydrophobicContact CD2-CD2 3.99Å; L344-L690 HydrophobicContact CG-CD1 4.49Å
345I85.9Confident85.8Confident2 Ų242.5 Ų42.51%0.0119%0.189CC..Hα-helixtrans-58.4-46.9171.6-72.4168.3000109.1A341 I342 E347 A348 S349 T596 L599 Y658 V662A341-I345 WeakPolarHBondContact O-CB 3.45Å; A341-I345 WeakPolarHBondContact O-CG1 3.5Å; A341-I345 PolarHBondContact O-N 3.03Å; I342-I345 PolarHBondContact O-N 2.83Å; I345-E347 VanDerWaalsContact C-N 3.33Å; I345-E347 PolarHBondContact O-N 2.87Å; I345-A348 WeakPolarHBondContact O-CB 3.49Å; I345-A348 PolarHBondContact O-N 3.29Å; I345-A348 VanDerWaalsContact O-N 3.15Å; I345-S349 PolarHBondContact O-N 2.93Å; I345-T596 HydrophobicContact CD1-CG2 4.27Å; I345-T596 HydrophobicContact CG1-CG2 4.4Å; I345-L599 HydrophobicContact CD1-CD1 3.68Å; I345-Y658 HydrophobicContact CB-CE1 4.4Å; I345-Y658 HydrophobicContact CG1-CE1 4.42Å; I345-Y658 HydrophobicContact CG2-CE1 3.91Å; I345-Y658 WeakPolarHBondContact CG2-OH 3.35Å; I345-Y658 PolarHBondContact O-OH 3.27Å; I345-V662 HydrophobicContact CG1-CG2 4.34Å
346K87.1Confident85.8Confident71 Ų7139.6 Ų39.631%0.30918%0.183SC..Hα-helixtrans-60.4-41.5178.9-172.1174.3-176.1172.40112.4A255 I342 A343 L344 S349 R350A255-K346 HydrophobicContact CB-CB 4.41Å; I342-K346 WeakPolarHBondContact O-CB 3.45Å; I342-K346 PolarHBondContact O-N 2.82Å; A343-K346 PolarHBondContact O-N 2.88Å; L344-K346 VanDerWaalsContact C-N 3.32Å; L344-K346 PolarHBondContact O-N 3.44Å; K346-S349 PolarHBondContact O-N 3.31Å; K346-R350 PolarHBondContact O-N 3.4Å
347E87.8Confident86.1Confident20 Ų2034.2 Ų34.29%0.09317%0.168CC..Hα-helixtrans-70-35.4174.8-64.2-55157.700112.7A343 L344 I345 R350 A351 L665 S687A343-E347 WeakPolarHBondContact O-CG 3.29Å; A343-E347 PolarHBondContact O-N 3.4Å; L344-E347 PolarHBondContact O-N 2.98Å; I345-E347 VanDerWaalsContact C-N 3.33Å; I345-E347 PolarHBondContact O-N 2.87Å; E347-R350 WeakPolarHBondContact O-CB 3.44Å; E347-R350 PolarHBondContact O-N 2.9Å; E347-R350 IonicContact OE1-NH1 3.05Å; E347-R350 PolarHBondContact OE1-NH1 2.96Å; E347-R350 WeakPolarHBondContact OE2-CD 3.26Å; E347-R350 IonicContact OE2-NH1 3.37Å; E347-R350 PolarHBondContact OE2-NH1 2.63Å; E347-A351 PolarHBondContact O-N 3.48Å; E347-L665 HydrophobicContact CB-CD1 4.46Å; E347-S687 WeakPolarHBondContact CG-OG 3.49Å; E347-S687 WeakPolarHBondContact OE1-CB 3.41Å; E347-S687 PolarHBondContact OE1-OG 3.31Å
348A89.4Confident86.5Confident0 Ų030.1 Ų30.10%015%0.152CC..Hα-helixtrans-62.5-42.3173.200000111.8L344 I345 R350 A351 V352 Y658 C661 V662 L665L344-A348 WeakPolarHBondContact O-CB 3.5Å; L344-A348 PolarHBondContact O-N 2.87Å; I345-A348 WeakPolarHBondContact O-CB 3.49Å; I345-A348 PolarHBondContact O-N 3.29Å; I345-A348 VanDerWaalsContact O-N 3.15Å; A348-R350 VanDerWaalsContact C-N 3.28Å; A348-R350 PolarHBondContact O-N 3.27Å; A348-A351 WeakPolarHBondContact O-CB 3.29Å; A348-A351 PolarHBondContact O-N 3.04Å; A348-V352 WeakPolarHBondContact O-CG2 3.34Å; A348-V352 PolarHBondContact O-N 3.12Å; A348-Y658 HydrophobicContact CB-CE1 3.9Å; A348-C661 HydrophobicContact CB-CB 4.32Å; A348-V662 HydrophobicContact CB-CG2 3.54Å; A348-L665 HydrophobicContact CB-CD1 3.94Å
349S87.9Confident86.8Confident4 Ų430.4 Ų30.43%0.02815%0.154CC..Hα-helixtrans-59.7-40.3174.2-176.50000111.7R252 I345 K346 G353 Y658R252-S349 WeakPolarHBondContact CA-OG 3.22Å; R252-S349 WeakPolarHBondContact CB-OG 3.35Å; R252-S349 PolarHBondContact N-OG 3.44Å; I345-S349 PolarHBondContact O-N 2.93Å; K346-S349 PolarHBondContact O-N 3.31Å; S349-G353 PolarHBondContact O-N 3.38Å; S349-Y658 VanDerWaalsContact CB-OH 3.29Å; S349-Y658 WeakPolarHBondContact CB-OH 3.28Å; S349-Y658 PolarHBondContact N-OH 2.53Å
350R88Confident86.9Confident87 Ų8732.3 Ų32.333%0.32816%0.163SC..Hα-helixtrans-63.7-46.9174-70.5171172-178.1-7.3111.4K346 E347 A348 V352 G353 Y354K346-R350 PolarHBondContact O-N 3.4Å; E347-R350 WeakPolarHBondContact O-CB 3.44Å; E347-R350 PolarHBondContact O-N 2.9Å; E347-R350 IonicContact OE1-NH1 3.05Å; E347-R350 PolarHBondContact OE1-NH1 2.96Å; E347-R350 WeakPolarHBondContact OE2-CD 3.26Å; E347-R350 IonicContact OE2-NH1 3.37Å; E347-R350 PolarHBondContact OE2-NH1 2.63Å; A348-R350 VanDerWaalsContact C-N 3.28Å; A348-R350 PolarHBondContact O-N 3.27Å; R350-V352 PolarHBondContact O-N 3.25Å; R350-G353 WeakPolarHBondContact O-CA 3.19Å; R350-G353 PolarHBondContact O-N 3.37Å; R350-Y354 VanDerWaalsContact O-CD2 3.24Å; R350-Y354 WeakPolarHBondContact O-CD2 3.28Å; R350-Y354 PolarHBondContact O-N 2.99Å; R350-Y354 VanDerWaalsContact O-N 3.09Å
351A89.7Confident87.3Confident0 Ų031.5 Ų31.50%016%0.159CC..Hα-helixtrans-58-47.117800000112.1E347 A348 G353 Y354 V355 F470 Y473 L665E347-A351 PolarHBondContact O-N 3.48Å; A348-A351 WeakPolarHBondContact O-CB 3.29Å; A348-A351 PolarHBondContact O-N 3.04Å; A351-G353 VanDerWaalsContact C-N 3.26Å; A351-G353 PolarHBondContact O-N 3.34Å; A351-Y354 PolarHBondContact O-N 3.5Å; A351-Y354 VanDerWaalsContact O-N 3.12Å; A351-V355 PolarHBondContact O-N 3.06Å; A351-F470 HydrophobicContact CB-CD1 4.24Å; A351-Y473 HydrophobicContact CB-CD1 3.34Å; A351-Y473 HydrophobicContact CB-CD2 4.47Å; A351-Y473 HydrophobicContact CB-CE1 3.38Å; A351-Y473 HydrophobicContact CB-CG 3.91Å; A351-L665 HydrophobicContact CB-CD1 4.17Å
352V89.8Confident87.5Confident2 Ų233 Ų331%0.01217%0.168CC..Hα-helixtrans-60.3-36.7174.1171.90000111.2A348 R350 Y354 V355 M356 L359 F470 Y658 C661A348-V352 WeakPolarHBondContact O-CG2 3.34Å; A348-V352 PolarHBondContact O-N 3.12Å; R350-V352 PolarHBondContact O-N 3.25Å; V352-Y354 VanDerWaalsContact C-N 3.35Å; V352-Y354 PolarHBondContact O-N 3.38Å; V352-V355 CarbonylContact O-C 3.53Å; V352-V355 PolarHBondContact O-N 2.92Å; V352-M356 VanDerWaalsContact O-CA 3.31Å; V352-M356 WeakPolarHBondContact O-CA 3.4Å; V352-M356 PolarHBondContact O-N 2.83Å; V352-L359 HydrophobicContact CG1-CD1 4.16Å; V352-L359 HydrophobicContact CG1-CD2 3.69Å; V352-L359 HydrophobicContact CG1-CG 3.94Å; V352-F470 HydrophobicContact CG2-CE1 3.84Å; V352-F470 HydrophobicContact CG2-CZ 3.94Å; V352-Y658 HydrophobicContact CG2-CD2 4.34Å; V352-C661 HydrophobicContact CG2-CB 4.14Å
353G86.4Confident87.7Confident24 Ų2437.5 Ų37.525%0.24719%0.192CC..Hα-helixtrans-62.3-35.3173.400000114.2S349 R350 A351 M356S349-G353 PolarHBondContact O-N 3.38Å; R350-G353 WeakPolarHBondContact O-CA 3.19Å; R350-G353 PolarHBondContact O-N 3.37Å; A351-G353 VanDerWaalsContact C-N 3.26Å; A351-G353 PolarHBondContact O-N 3.34Å; G353-M356 WeakPolarHBondContact O-CG 3.43Å
354Y87.4Confident87.9Confident110 Ų11040.1 Ų40.143%0.43121%0.207SC..Hα-helixtrans-76.7-25.8173.1-77.6-82000112.7R350 A351 V352 Y473 P480R350-Y354 VanDerWaalsContact O-CD2 3.24Å; R350-Y354 WeakPolarHBondContact O-CD2 3.28Å; R350-Y354 PolarHBondContact O-N 2.99Å; R350-Y354 VanDerWaalsContact O-N 3.09Å; A351-Y354 PolarHBondContact O-N 3.5Å; A351-Y354 VanDerWaalsContact O-N 3.12Å; V352-Y354 VanDerWaalsContact C-N 3.35Å; V352-Y354 PolarHBondContact O-N 3.38Å; Y354-Y473 HydrophobicContact CD2-CD2 4.02Å; Y354-Y473 AromaticContact CD2-CE2 3.31Å; Y354-Y473 HydrophobicContact CD2-CE2 3.31Å; Y354-Y473 AromaticContact CE2-CE2 3.81Å; Y354-Y473 HydrophobicContact CE2-CE2 3.81Å; Y354-Y473 HydrophobicContact CG-CD2 4.2Å; Y354-Y473 AromaticContact CG-CE2 3.94Å; Y354-Y473 HydrophobicContact CG-CE2 3.94Å; Y354-P480 HydrophobicContact CE1-CB 4.36Å
355V88.3Confident88.2Confident4 Ų440.9 Ų40.92%0.02421%0.212CC..THydrogen-bonded Turntrans-117.454179.5-163.40000109.9A351 V352 C357 S358 A469 F470 P487 L488A351-V355 PolarHBondContact O-N 3.06Å; V352-V355 CarbonylContact O-C 3.53Å; V352-V355 PolarHBondContact O-N 2.92Å; V355-C357 PolarHBondContact O-N 2.87Å; V355-C357 VanDerWaalsContact O-N 3.14Å; V355-S358 WeakPolarHBondContact O-CB 3.27Å; V355-S358 PolarHBondContact O-N 3.46Å; V355-S358 PolarHBondContact O-OG 3.33Å; V355-A469 HydrophobicContact CG1-CB 4.16Å; V355-F470 HydrophobicContact CB-CE1 4.4Å; V355-P487 HydrophobicContact CG1-CB 4.22Å; V355-P487 HydrophobicContact CG2-CB 4.29Å; V355-P487 HydrophobicContact CG2-CG 4.32Å; V355-L488 HydrophobicContact CG1-CB 4.39Å
356M86.5Confident88.4Confident104 Ų10447.4 Ų47.451%0.51224%0.24SC..G310 helixtrans-58.3-32.8-172.8-69-136.880.500113.4V352 G353 S358 L359V352-M356 VanDerWaalsContact O-CA 3.31Å; V352-M356 WeakPolarHBondContact O-CA 3.4Å; V352-M356 PolarHBondContact O-N 2.83Å; G353-M356 WeakPolarHBondContact O-CG 3.43Å; M356-S358 PolarHBondContact O-N 3.46Å; M356-L359 HydrophobicContact CE-CD1 4.08Å; M356-L359 WeakPolarHBondContact O-CB 3.23Å; M356-L359 PolarHBondContact O-N 3.3Å
357C87.6Confident88.7Confident65 Ų6550.4 Ų50.444%0.43925%0.254SS..G310 helixtrans-57.8-21.1175.2-57.80000113.3V355 L359 L360 L488V355-C357 PolarHBondContact O-N 2.87Å; V355-C357 VanDerWaalsContact O-N 3.14Å; C357-L359 PolarHBondContact O-N 3.35Å; C357-L360 PolarHBondContact O-N 2.84Å; C357-L360 VanDerWaalsContact O-N 3.08Å; C357-L488 HydrophobicContact CB-CD2 4.02Å; C357-L488 WeakPolarHBondContact O-CD2 3.22Å
358S90.6Very high88.9Confident0 Ų051.7 Ų51.70%026%0.261CS..G310 helixtrans-59.2-27.7175.564.60000112.9V355 M356 L360 Y361V355-S358 WeakPolarHBondContact O-CB 3.27Å; V355-S358 PolarHBondContact O-N 3.46Å; V355-S358 PolarHBondContact O-OG 3.33Å; M356-S358 PolarHBondContact O-N 3.46Å; S358-L360 VanDerWaalsContact C-N 3.26Å; S358-L360 PolarHBondContact O-N 2.96Å; S358-Y361 VanDerWaalsContact O-CB 3.24Å; S358-Y361 WeakPolarHBondContact O-CB 3.47Å; S358-Y361 PolarHBondContact O-N 3.16Å
359L87.5Confident89.1Confident13 Ų1353.7 Ų53.77%0.06827%0.271CS..G310 helixtrans-69.8-21177.6-62-179000113.3L245 I248 V352 M356 C357 P362 F654 V657L245-L359 HydrophobicContact CD2-CD1 3.86Å; I248-L359 HydrophobicContact CD1-CD2 4.23Å; V352-L359 HydrophobicContact CG1-CD1 4.16Å; V352-L359 HydrophobicContact CG1-CD2 3.69Å; V352-L359 HydrophobicContact CG1-CG 3.94Å; M356-L359 HydrophobicContact CE-CD1 4.08Å; M356-L359 WeakPolarHBondContact O-CB 3.23Å; M356-L359 PolarHBondContact O-N 3.3Å; C357-L359 PolarHBondContact O-N 3.35Å; L359-P362 WeakPolarHBondContact O-CD 3.48Å; L359-F654 HydrophobicContact CB-CD1 4.33Å; L359-F654 HydrophobicContact CB-CE1 4.11Å; L359-F654 HydrophobicContact CD2-CD1 4.19Å; L359-V657 HydrophobicContact CD2-CG1 4.25Å
360L86.5Confident89.4Confident111 Ų11155.7 Ų55.758%0.58129%0.285SS*.G310 helixtrans-88-13.6175.2-61.8176.2000112.5C357 S358 P362 L363C357-L360 PolarHBondContact O-N 2.84Å; C357-L360 VanDerWaalsContact O-N 3.08Å; S358-L360 VanDerWaalsContact C-N 3.26Å; S358-L360 PolarHBondContact O-N 2.96Å; L360-P362 VanDerWaalsContact C-CD 3.41Å; L360-L363 HydrophobicContact CD2-CD1 4.13Å; L360-L363 VanDerWaalsContact O-CB 3.29Å; L360-L363 WeakPolarHBondContact O-CB 3.48Å; L360-L363 PolarHBondContact O-N 3.36Å
361Y89.5Confident89.7Confident10 Ų1056.5 Ų56.54%0.03930%0.295CS..Hα-helixtrans-58.9-34.7-178.1-164.6-86.7000114.8S358 L363 V364 T365 G462 T465 L466 L488 F492S358-Y361 VanDerWaalsContact O-CB 3.24Å; S358-Y361 WeakPolarHBondContact O-CB 3.47Å; S358-Y361 PolarHBondContact O-N 3.16Å; Y361-L363 PolarHBondContact O-N 2.86Å; Y361-V364 WeakPolarHBondContact O-CB 3.31Å; Y361-V364 PolarHBondContact O-N 3.32Å; Y361-T365 WeakPolarHBondContact CD1-OG1 3.29Å; Y361-T365 WeakPolarHBondContact CE1-OG1 3.41Å; Y361-T365 PolarHBondContact O-N 3.44Å; Y361-T365 PolarHBondContact O-OG1 2.66Å; Y361-G462 WeakPolarHBondContact OH-CA 3.47Å; Y361-T465 HydrophobicContact CD2-CG2 4.22Å; Y361-T465 HydrophobicContact CE2-CG2 3.58Å; Y361-L466 HydrophobicContact CD1-CD1 4.26Å; Y361-L466 HydrophobicContact CD1-CD2 4.44Å; Y361-L466 HydrophobicContact CD1-CG 4.21Å; Y361-L466 HydrophobicContact CG-CD2 4.2Å; Y361-L466 HydrophobicContact CG-CG 4.42Å; Y361-L488 HydrophobicContact CD2-CD1 3.93Å; Y361-L488 HydrophobicContact CD2-CD2 4.05Å; Y361-L488 HydrophobicContact CD2-CG 4.17Å; Y361-L488 HydrophobicContact CG-CD1 4.46Å; Y361-F492 HydrophobicContact CE2-CD2 4.08Å
362P88.6Confident90Very high31 Ų3157.4 Ų57.420%0.20130%0.301CS..Hα-helixtrans-55.6-29.9172.6-28.637.4000113.9L359 L360 T365 F366 V657L359-P362 WeakPolarHBondContact O-CD 3.48Å; L360-P362 VanDerWaalsContact C-CD 3.41Å; P362-T365 PolarHBondContact O-N 2.96Å; P362-F366 VanDerWaalsContact O-CB 3.28Å; P362-F366 WeakPolarHBondContact O-CB 3.46Å; P362-F366 PolarHBondContact O-N 3.01Å; P362-V657 HydrophobicContact CG-CG2 3.4Å
363L87.4Confident90.2Very high115 Ų11561.2 Ų61.260%0.60232%0.321SS*.Hα-helixtrans-67.4-41176.1-59.4175.6000111.6L360 Y361 T365 F366 F367L360-L363 HydrophobicContact CD2-CD1 4.13Å; L360-L363 VanDerWaalsContact O-CB 3.29Å; L360-L363 WeakPolarHBondContact O-CB 3.48Å; L360-L363 PolarHBondContact O-N 3.36Å; Y361-L363 PolarHBondContact O-N 2.86Å; L363-T365 VanDerWaalsContact C-N 3.34Å; L363-F366 PolarHBondContact O-N 3.47Å; L363-F367 WeakPolarHBondContact O-CB 3.33Å; L363-F367 PolarHBondContact O-N 3.4Å
364V90Very high90.6Very high66 Ų6662.9 Ų62.940%0.433%0.332SS..Hα-helixtrans-63-44.6174.6-179.50000110.1Y361 F367 L368Y361-V364 WeakPolarHBondContact O-CB 3.31Å; Y361-V364 PolarHBondContact O-N 3.32Å; V364-F367 PolarHBondContact O-N 3.48Å; V364-L368 HydrophobicContact CG1-CD1 4.17Å; V364-L368 WeakPolarHBondContact O-CG 3.44Å; V364-L368 PolarHBondContact O-N 3.19Å
365T90.9Very high90.9Very high20 Ų2060 Ų6012%0.12332%0.321CS..Hα-helixtrans-63.3-44.1178-55.30000110.9Y361 P362 L363 L368 L369 V458 L459Y361-T365 WeakPolarHBondContact CD1-OG1 3.29Å; Y361-T365 WeakPolarHBondContact CE1-OG1 3.41Å; Y361-T365 PolarHBondContact O-N 3.44Å; Y361-T365 PolarHBondContact O-OG1 2.66Å; P362-T365 PolarHBondContact O-N 2.96Å; L363-T365 VanDerWaalsContact C-N 3.34Å; T365-L368 PolarHBondContact O-N 3Å; T365-L369 HydrophobicContact CG2-CD1 4.11Å; T365-L369 HydrophobicContact CG2-CG 4.49Å; T365-L369 WeakPolarHBondContact O-CB 3.33Å; T365-L369 VanDerWaalsContact O-CG 3.29Å; T365-L369 WeakPolarHBondContact O-CG 3.48Å; T365-L369 PolarHBondContact O-N 3.39Å; T365-V458 HydrophobicContact CG2-CG1 4.19Å; T365-L459 HydrophobicContact CG2-CD2 4.05Å
366F89.8Confident91.3Very high139 Ų13964 Ų6461%0.6134%0.336SS*.Hα-helixtrans-60.5-48.5176.6178.9-99.7000111.8P362 L363 L368 L369 C370P362-F366 VanDerWaalsContact O-CB 3.28Å; P362-F366 WeakPolarHBondContact O-CB 3.46Å; P362-F366 PolarHBondContact O-N 3.01Å; L363-F366 PolarHBondContact O-N 3.47Å; F366-L368 PolarHBondContact O-N 3.04Å; F366-L369 PolarHBondContact O-N 3.31Å; F366-C370 VanDerWaalsContact CE1-SG 3.54Å; F366-C370 WeakPolarHBondContact CZ-SG 3.18Å; F366-C370 WeakPolarHBondContact O-CB 3.36Å; F366-C370 PolarHBondContact O-N 3.44Å; F366-C370 PolarHBondContact O-SG 2.96Å; F366-C370 VanDerWaalsContact O-SG 3.35Å
367F92.4Very high91.6Very high134 Ų13460.9 Ų60.959%0.58833%0.326SS*.Hα-helixtrans-57-47.9177.1173.9-100.2000112.2L363 V364 L369 C370 L371L363-F367 WeakPolarHBondContact O-CB 3.33Å; L363-F367 PolarHBondContact O-N 3.4Å; V364-F367 PolarHBondContact O-N 3.48Å; F367-L369 PolarHBondContact O-N 3.28Å; F367-C370 WeakPolarHBondContact O-CB 3.47Å; F367-C370 PolarHBondContact O-N 3.39Å; F367-L371 PolarHBondContact O-N 2.88Å
368L93.3Very high91.8Very high46 Ų4659.7 Ų59.724%0.24132%0.319CS..Hα-helixtrans-64.5-39.3178.4-68.7175.2000112.3V364 T365 F366 L371 C372 V458V364-L368 HydrophobicContact CG1-CD1 4.17Å; V364-L368 WeakPolarHBondContact O-CG 3.44Å; V364-L368 PolarHBondContact O-N 3.19Å; T365-L368 PolarHBondContact O-N 3Å; F366-L368 PolarHBondContact O-N 3.04Å; L368-L371 WeakPolarHBondContact O-CB 3.32Å; L368-L371 PolarHBondContact O-N 3.41Å; L368-C372 PolarHBondContact O-N 3.12Å; L368-C372 PolarHBondContact O-SG 2.99Å; L368-C372 VanDerWaalsContact O-SG 3.37Å; L368-V458 HydrophobicContact CB-CB 4.46Å; L368-V458 HydrophobicContact CB-CG1 3.55Å; L368-V458 HydrophobicContact CB-CG2 3.98Å; L368-V458 HydrophobicContact CD1-CG1 4.14Å
369L93.6Very high92Very high42 Ų4259.7 Ų59.722%0.2232%0.319CS..Hα-helixtrans-66.6-39.9174.5-72175.5000112.1T365 F366 F367 L371 C372 I373 A455 V458 L459T365-L369 HydrophobicContact CG2-CD1 4.11Å; T365-L369 HydrophobicContact CG2-CG 4.49Å; T365-L369 WeakPolarHBondContact O-CB 3.33Å; T365-L369 VanDerWaalsContact O-CG 3.29Å; T365-L369 WeakPolarHBondContact O-CG 3.48Å; T365-L369 PolarHBondContact O-N 3.39Å; F366-L369 PolarHBondContact O-N 3.31Å; F367-L369 PolarHBondContact O-N 3.28Å; L369-L371 VanDerWaalsContact C-N 3.29Å; L369-L371 PolarHBondContact O-N 3.2Å; L369-C372 WeakPolarHBondContact O-CB 3.3Å; L369-C372 PolarHBondContact O-N 2.83Å; L369-I373 VanDerWaalsContact O-CG1 3.28Å; L369-I373 WeakPolarHBondContact O-CG1 3.21Å; L369-I373 PolarHBondContact O-N 3.32Å; L369-A455 HydrophobicContact CD2-CB 3.91Å; L369-V458 HydrophobicContact CD2-CB 4.17Å; L369-V458 HydrophobicContact CD2-CG1 4.04Å; L369-V458 HydrophobicContact CG-CG1 3.99Å; L369-L459 HydrophobicContact CD1-CD2 4.07Å
370C92.8Very high92.2Very high47 Ų4759.9 Ų59.932%0.31832%0.322SS..Hα-helixtrans-59.8-40.9173.3-750000111.5F366 F367 I373 A374F366-C370 VanDerWaalsContact CE1-SG 3.54Å; F366-C370 WeakPolarHBondContact CZ-SG 3.18Å; F366-C370 WeakPolarHBondContact O-CB 3.36Å; F366-C370 PolarHBondContact O-N 3.44Å; F366-C370 PolarHBondContact O-SG 2.96Å; F366-C370 VanDerWaalsContact O-SG 3.35Å; F367-C370 WeakPolarHBondContact O-CB 3.47Å; F367-C370 PolarHBondContact O-N 3.39Å; C370-I373 PolarHBondContact O-N 3.07Å; C370-A374 VanDerWaalsContact O-CB 3.27Å; C370-A374 WeakPolarHBondContact O-CB 3.36Å; C370-A374 PolarHBondContact O-N 3.45Å
371L94.9Very high92.2Very high103 Ų10357.2 Ų57.254%0.53931%0.311SS..Hα-helixtrans-61-46.2174.1-176.766.8000111.4F367 L368 L369 I373 A374 Y375F367-L371 PolarHBondContact O-N 2.88Å; L368-L371 WeakPolarHBondContact O-CB 3.32Å; L368-L371 PolarHBondContact O-N 3.41Å; L369-L371 VanDerWaalsContact C-N 3.29Å; L369-L371 PolarHBondContact O-N 3.2Å; L371-I373 PolarHBondContact O-N 2.91Å; L371-A374 PolarHBondContact O-N 3.34Å; L371-Y375 WeakPolarHBondContact O-CB 3.33Å; L371-Y375 PolarHBondContact O-N 3.28Å
372C95.6Very high92.2Very high20 Ų2059 Ų5914%0.13532%0.318CS..Hα-helixtrans-59.6-45.1175.2-67.50000112.3L368 L369 W376L368-C372 PolarHBondContact O-N 3.12Å; L368-C372 PolarHBondContact O-SG 2.99Å; L368-C372 VanDerWaalsContact O-SG 3.37Å; L369-C372 WeakPolarHBondContact O-CB 3.3Å; L369-C372 PolarHBondContact O-N 2.83Å; C372-W376 VanDerWaalsContact O-CB 3.26Å; C372-W376 WeakPolarHBondContact O-CB 3.38Å; C372-W376 PolarHBondContact O-N 3.41Å
373I94.8Very high92.2Very high81 Ų8157.5 Ų57.542%0.41531%0.309SS..Hα-helixtrans-64.8-45.5179-67.7166000110.7L369 C370 L371 W376 A377 F451L369-I373 VanDerWaalsContact O-CG1 3.28Å; L369-I373 WeakPolarHBondContact O-CG1 3.21Å; L369-I373 PolarHBondContact O-N 3.32Å; C370-I373 PolarHBondContact O-N 3.07Å; L371-I373 PolarHBondContact O-N 2.91Å; I373-W376 PolarHBondContact O-N 3.29Å; I373-A377 WeakPolarHBondContact O-CB 3.2Å; I373-A377 PolarHBondContact O-N 2.94Å; I373-F451 HydrophobicContact CB-CE2 4.42Å; I373-F451 HydrophobicContact CG1-CE2 3.62Å; I373-F451 HydrophobicContact CG1-CZ 4.06Å
374A94.1Very high92Very high59 Ų5955 Ų5549%0.48830%0.301SS..Hα-helixtrans-63.3-44.9-179.200000111.7C370 L371 S378C370-A374 VanDerWaalsContact O-CB 3.27Å; C370-A374 WeakPolarHBondContact O-CB 3.36Å; C370-A374 PolarHBondContact O-N 3.45Å; L371-A374 PolarHBondContact O-N 3.34Å; A374-S378 WeakPolarHBondContact O-CB 3.39Å; A374-S378 PolarHBondContact O-N 3.14Å; A374-S378 PolarHBondContact O-OG 3.38Å
375Y95.3Very high91.7Very high51 Ų5152.4 Ų52.420%0.229%0.285CS..Hα-helixtrans-64.8-43.7177-170.9-83000111.9Y45 V46 W53 L371 S378 T379Y45-Y375 HydrophobicContact CD1-CD1 4.05Å; Y45-Y375 AromaticContact CD1-CE1 3.65Å; Y45-Y375 HydrophobicContact CD1-CE1 3.65Å; Y45-Y375 HydrophobicContact CD2-CE1 4.2Å; Y45-Y375 AromaticContact CE1-CD1 3.29Å; Y45-Y375 HydrophobicContact CE1-CD1 3.29Å; Y45-Y375 AromaticContact CE1-CE1 3.3Å; Y45-Y375 HydrophobicContact CE1-CE1 3.3Å; Y45-Y375 HydrophobicContact CE1-CG 4.49Å; Y45-Y375 HydrophobicContact CE2-CD1 4.32Å; Y45-Y375 AromaticContact CE2-CE1 3.86Å; Y45-Y375 HydrophobicContact CE2-CE1 3.86Å; Y45-Y375 HydrophobicContact CG-CE1 4.09Å; Y45-Y375 AromaticContact CZ-CD1 3.45Å; Y45-Y375 VanDerWaalsContact CZ-CD1 3.45Å; Y45-Y375 AromaticContact CZ-CE1 3.42Å; Y45-Y375 VanDerWaalsContact CZ-CE1 3.42Å; Y45-Y375 PolarHBondContact O-OH 2.92Å; Y45-Y375 WeakPolarHBondContact OH-CD1 3.41Å; V46-Y375 VanDerWaalsContact CA-OH 3.3Å; V46-Y375 WeakPolarHBondContact CA-OH 3.39Å; W53-Y375 HydrophobicContact CH2-CD2 4.27Å; W53-Y375 AromaticContact CH2-CE2 3.64Å; W53-Y375 HydrophobicContact CH2-CE2 3.64Å; W53-Y375 HydrophobicContact CZ2-CD2 4.35Å; W53-Y375 AromaticContact CZ2-CE2 3.93Å; W53-Y375 HydrophobicContact CZ2-CE2 3.93Å; L371-Y375 WeakPolarHBondContact O-CB 3.33Å; L371-Y375 PolarHBondContact O-N 3.28Å; Y375-S378 WeakPolarHBondContact CA-OG 3.35Å; Y375-S378 PolarHBondContact O-OG 2.96Å; Y375-T379 WeakPolarHBondContact O-CB 3.46Å; Y375-T379 PolarHBondContact O-N 3.19Å; Y375-T379 PolarHBondContact O-OG1 3.22Å
376W96.5Very high91.4Very high87 Ų8751.6 Ų51.633%0.3328%0.281SS..Hα-helixtrans-62.6-48.2176165.976.8000112.4Y45 C372 I373 T379 A380 N447 F451Y45-W376 WeakPolarHBondContact OH-CA 3.48Å; C372-W376 VanDerWaalsContact O-CB 3.26Å; C372-W376 WeakPolarHBondContact O-CB 3.38Å; C372-W376 PolarHBondContact O-N 3.41Å; I373-W376 PolarHBondContact O-N 3.29Å; W376-T379 PolarHBondContact O-N 2.98Å; W376-A380 WeakPolarHBondContact O-CB 3.48Å; W376-A380 PolarHBondContact O-N 3.5Å; W376-N447 PolarHBondContact O-ND2 3.01Å; W376-F451 HydrophobicContact CB-CB 3.94Å; W376-F451 HydrophobicContact CB-CD2 3.74Å; W376-F451 HydrophobicContact CB-CG 4.07Å; W376-F451 VanDerWaalsContact CD1-CB 3.46Å; W376-F451 AromaticContact CD1-CG 3.97Å; W376-F451 HydrophobicContact CD2-CD2 4.35Å; W376-F451 HydrophobicContact CD2-CG 4.24Å; W376-F451 HydrophobicContact CG-CB 3.7Å; W376-F451 AromaticContact CG-CD2 3.91Å; W376-F451 HydrophobicContact CG-CD2 3.91Å; W376-F451 AromaticContact CG-CG 3.8Å; W376-F451 HydrophobicContact CG-CG 3.8Å
377A92.1Very high90.9Very high38 Ų3847.2 Ų47.231%0.31426%0.264SS..Hα-helixtrans-65.8-43.7-176.500000111.4I373 A380 V381I373-A377 WeakPolarHBondContact O-CB 3.2Å; I373-A377 PolarHBondContact O-N 2.94Å; A377-A380 PolarHBondContact O-N 2.95Å; A377-V381 WeakPolarHBondContact O-CB 3.16Å; A377-V381 VanDerWaalsContact O-CG2 3.31Å; A377-V381 WeakPolarHBondContact O-CG2 3.36Å; A377-V381 PolarHBondContact O-N 2.83Å
378S92.4Very high90.3Very high40 Ų4046.5 Ų46.528%0.2826%0.262SS..Hα-helixtrans-60.3-54.4174.254.30000110.7A374 Y375 A380 V381 F382A374-S378 WeakPolarHBondContact O-CB 3.39Å; A374-S378 PolarHBondContact O-N 3.14Å; A374-S378 PolarHBondContact O-OG 3.38Å; Y375-S378 WeakPolarHBondContact CA-OG 3.35Å; Y375-S378 PolarHBondContact O-OG 2.96Å; S378-A380 VanDerWaalsContact C-N 3.28Å; S378-A380 PolarHBondContact O-N 3.2Å; S378-V381 PolarHBondContact O-N 2.64Å; S378-V381 VanDerWaalsContact O-N 3.15Å; S378-F382 VanDerWaalsContact O-CD2 3.27Å; S378-F382 WeakPolarHBondContact O-CD2 3.39Å; S378-F382 PolarHBondContact O-N 3.41Å
379T93.7Very high89.5Confident0 Ų045.8 Ų45.80%026%0.263CS..Hα-helixtrans-56.7-41.5178.2-54.80000112.2V48 A52 Y375 W376 V381 F382 L383V48-T379 HydrophobicContact CG1-CG2 4.4Å; A52-T379 HydrophobicContact CB-CG2 4.18Å; Y375-T379 WeakPolarHBondContact O-CB 3.46Å; Y375-T379 PolarHBondContact O-N 3.19Å; Y375-T379 PolarHBondContact O-OG1 3.22Å; W376-T379 PolarHBondContact O-N 2.98Å; T379-V381 PolarHBondContact O-N 2.91Å; T379-F382 PolarHBondContact O-N 2.81Å; T379-L383 HydrophobicContact CG2-CD1 3.96Å; T379-L383 HydrophobicContact CG2-CG 4.33Å; T379-L383 WeakPolarHBondContact O-CB 3.3Å; T379-L383 VanDerWaalsContact O-CG 3.32Å; T379-L383 WeakPolarHBondContact O-CG 3.27Å; T379-L383 PolarHBondContact O-N 3.45Å
380A91.4Very high88.9Confident18 Ų1844.5 Ų44.515%0.14926%0.257CS..Hα-helixtrans-62.1-42.8178.300000112.7W376 A377 S378 S384 Q444 N447W376-A380 WeakPolarHBondContact O-CB 3.48Å; W376-A380 PolarHBondContact O-N 3.5Å; A377-A380 PolarHBondContact O-N 2.95Å; S378-A380 VanDerWaalsContact C-N 3.28Å; S378-A380 PolarHBondContact O-N 3.2Å; A380-S384 WeakPolarHBondContact O-CB 3.34Å; A380-S384 PolarHBondContact O-N 3.36Å; A380-S384 PolarHBondContact O-OG 3.12Å; A380-Q444 PolarHBondContact O-NE2 3.36Å; A380-N447 WeakPolarHBondContact CB-ND2 3.38Å; A380-N447 PolarHBondContact N-ND2 3.42Å
381V87.7Confident88.3Confident55 Ų5543.9 Ų43.933%0.33325%0.248SC..Hα-helixtrans-66.7-43.8177.9164.80000111.4P58 V61 A377 S378 T379 S384 T385P58-V381 HydrophobicContact CB-CG1 4.41Å; V61-V381 HydrophobicContact CG2-CG1 3.69Å; A377-V381 WeakPolarHBondContact O-CB 3.16Å; A377-V381 VanDerWaalsContact O-CG2 3.31Å; A377-V381 WeakPolarHBondContact O-CG2 3.36Å; A377-V381 PolarHBondContact O-N 2.83Å; S378-V381 PolarHBondContact O-N 2.64Å; S378-V381 VanDerWaalsContact O-N 3.15Å; T379-V381 PolarHBondContact O-N 2.91Å; V381-S384 PolarHBondContact O-N 3.44Å; V381-S384 PolarHBondContact O-OG 2.99Å; V381-T385 WeakPolarHBondContact O-CG2 3.18Å; V381-T385 PolarHBondContact O-N 2.91Å; V381-T385 VanDerWaalsContact O-N 3.15Å; V381-T385 PolarHBondContact O-OG1 3.21Å
382F89.3Confident87.7Confident46 Ų4641.4 Ų41.420%0.20223%0.233CC..Hα-helixtrans-68.6-40.7179.5-85.6-99.2000112A52 W53 G56 P58 S378 T379 S384 T385 S386A52-F382 HydrophobicContact CB-CB 4.06Å; A52-F382 WeakPolarHBondContact O-CB 3.27Å; W53-F382 HydrophobicContact CB-CD1 4.34Å; W53-F382 HydrophobicContact CB-CE1 4.4Å; W53-F382 AromaticContact CD1-CD1 3.77Å; W53-F382 AromaticContact CD1-CD2 3.67Å; W53-F382 AromaticContact CD1-CG 3.48Å; W53-F382 VanDerWaalsContact CD1-CG 3.48Å; W53-F382 HydrophobicContact CG-CD1 4.43Å; G56-F382 WeakPolarHBondContact CA-O 3.43Å; G56-F382 WeakPolarHBondContact O-CD1 3.27Å; P58-F382 HydrophobicContact CB-CE1 4.46Å; P58-F382 HydrophobicContact CB-CE2 4.04Å; P58-F382 HydrophobicContact CB-CZ 4.02Å; P58-F382 VanDerWaalsContact CD-CE1 3.46Å; P58-F382 HydrophobicContact CG-CE1 3.89Å; P58-F382 HydrophobicContact CG-CE2 4.08Å; P58-F382 HydrophobicContact CG-CZ 3.55Å; S378-F382 VanDerWaalsContact O-CD2 3.27Å; S378-F382 WeakPolarHBondContact O-CD2 3.39Å; S378-F382 PolarHBondContact O-N 3.41Å; T379-F382 PolarHBondContact O-N 2.81Å; F382-S384 PolarHBondContact O-N 3.48Å; F382-T385 WeakPolarHBondContact CA-OG1 3.38Å; F382-T385 PolarHBondContact O-N 2.93Å; F382-T385 PolarHBondContact O-OG1 3.5Å; F382-T385 VanDerWaalsContact O-OG1 3.05Å; F382-S386 PolarHBondContact O-N 3.03Å
383L88.8Confident87.1Confident0 Ų040.7 Ų40.70%023%0.228CC..Hα-helixtrans-62-41171.7-75.2173.1000111.9V48 A52 T379 T385 S386 L440 L443 Q444 N447V48-L383 HydrophobicContact CG1-CD1 4.36Å; A52-L383 HydrophobicContact CB-CD2 3.71Å; A52-L383 HydrophobicContact CB-CG 3.66Å; T379-L383 HydrophobicContact CG2-CD1 3.96Å; T379-L383 HydrophobicContact CG2-CG 4.33Å; T379-L383 WeakPolarHBondContact O-CB 3.3Å; T379-L383 VanDerWaalsContact O-CG 3.32Å; T379-L383 WeakPolarHBondContact O-CG 3.27Å; T379-L383 PolarHBondContact O-N 3.45Å; L383-T385 PolarHBondContact O-N 3.44Å; L383-S386 PolarHBondContact O-N 2.92Å; L383-S386 PolarHBondContact O-OG 3.29Å; L383-L440 HydrophobicContact CB-CD1 4.33Å; L383-L440 HydrophobicContact CD2-CD1 3.94Å; L383-L440 WeakPolarHBondContact O-CD1 3.5Å; L383-L443 HydrophobicContact CD1-CB 4.15Å; L383-L443 HydrophobicContact CD2-CB 4.08Å; L383-L443 HydrophobicContact CD2-CD1 4.07Å; L383-Q444 HydrophobicContact CB-CG 4.26Å; L383-Q444 HydrophobicContact CD1-CG 4.32Å; L383-N447 HydrophobicContact CD1-CB 4.29Å
384S83.2Confident86.4Confident64 Ų6441.3 Ų41.345%0.44823%0.227SC..Hα-helixtrans-70-20.4-179.669.10000113.3A380 V381 F382A380-S384 WeakPolarHBondContact O-CB 3.34Å; A380-S384 PolarHBondContact O-N 3.36Å; A380-S384 PolarHBondContact O-OG 3.12Å; V381-S384 PolarHBondContact O-N 3.44Å; V381-S384 PolarHBondContact O-OG 2.99Å; F382-S384 PolarHBondContact O-N 3.48Å
385T84Confident85.7Confident10 Ų1039.7 Ų39.76%0.06121%0.211CC..Hα-helixtrans-99.6-2.8-179.252.70000114.4D57 K60 V61 V381 F382 L383 N387D57-T385 PolarHBondContact N-OG1 3.27Å; D57-T385 VanDerWaalsContact O-CB 3.27Å; D57-T385 WeakPolarHBondContact O-CB 3.19Å; D57-T385 PolarHBondContact O-OG1 2.88Å; K60-T385 HydrophobicContact CB-CG2 3.91Å; K60-T385 VanDerWaalsContact CD-O 3.3Å; K60-T385 WeakPolarHBondContact CD-O 3.45Å; K60-T385 PolarHBondContact NZ-O 2.91Å; K60-T385 VanDerWaalsContact NZ-O 3.11Å; V61-T385 HydrophobicContact CG2-CG2 3.5Å; V61-T385 VanDerWaalsContact CG2-CG2 3.5Å; V381-T385 WeakPolarHBondContact O-CG2 3.18Å; V381-T385 PolarHBondContact O-N 2.91Å; V381-T385 VanDerWaalsContact O-N 3.15Å; V381-T385 PolarHBondContact O-OG1 3.21Å; F382-T385 WeakPolarHBondContact CA-OG1 3.38Å; F382-T385 PolarHBondContact O-N 2.93Å; F382-T385 PolarHBondContact O-OG1 3.5Å; F382-T385 VanDerWaalsContact O-OG1 3.05Å; L383-T385 PolarHBondContact O-N 3.44Å; T385-N387 PolarHBondContact O-N 2.99Å; T385-N387 VanDerWaalsContact O-N 3.16Å
386S84.6Confident84.4Confident4 Ų443.3 Ų43.33%0.02823%0.234CC..  trans-7912.2-179.469.30000114.3F382 L383 Y436 H437 L440F382-S386 PolarHBondContact O-N 3.03Å; L383-S386 PolarHBondContact O-N 2.92Å; L383-S386 PolarHBondContact O-OG 3.29Å; S386-Y436 VanDerWaalsContact CB-OH 3.29Å; S386-Y436 WeakPolarHBondContact CB-OH 3.48Å; S386-Y436 WeakPolarHBondContact OG-CE1 3.27Å; S386-Y436 PolarHBondContact OG-OH 3.46Å; S386-H437 PolarHBondContact O-CE1 3.09Å; S386-L440 WeakPolarHBondContact OG-CD1 3.38Å
387N78.9Confident83.3Confident47 Ų4741.6 Ų41.625%0.25124%0.235SC..  trans-81144.6175.2-70.7-30.2000111.4K60 T385 L440K60-N387 PolarHBondContact NZ-O 3.3Å; T385-N387 PolarHBondContact O-N 2.99Å; T385-N387 VanDerWaalsContact O-N 3.16Å; N387-L440 WeakPolarHBondContact OD1-CD2 3.23Å
388E79.1Confident82.4Confident118 Ų11846.5 Ų46.555%0.55126%0.264SS*.EExtended strand (participates in β ladder)trans-108.5163.6178.7-63.5-173.1169.700111.1Y430 G431E388-Y430 CarbonylContact O-C 3.57Å; E388-Y430 WeakPolarHBondContact O-CA 3.31Å; E388-G431 CarbonylContact C-O 3.43Å; E388-G431 PolarHBondContact N-O 3.07Å; E388-G431 PolarHBondContact O-N 3.24Å
389A76.7Confident81.8Confident31 Ų3145.2 Ų45.226%0.25625%0.254SS..EExtended strand (participates in β ladder)trans-84.4123.2178.500000110.3Y391 F427 Y430A389-Y391 HydrophobicContact CB-CE2 4.19Å; A389-F427 HydrophobicContact CB-CD2 4.39Å; A389-F427 HydrophobicContact CB-CE2 4.07Å; A389-Y430 HydrophobicContact CB-CD1 4.27Å; A389-Y430 HydrophobicContact CB-CE1 4.04Å
390V80.5Confident81.2Confident16 Ų1650.2 Ų50.210%0.09729%0.287CS..EExtended strand (participates in β ladder)trans-105.8129.5179-177.10000110T405 A428 F429 G431V390-T405 HydrophobicContact CG1-CG2 3.79Å; V390-A428 PolarHBondContact O-N 3.32Å; V390-F429 HydrophobicContact CB-CE2 4.43Å; V390-F429 HydrophobicContact CG2-CE2 4.32Å; V390-F429 PolarHBondContact N-O 3.45Å; V390-F429 PolarHBondContact O-N 3.21Å; V390-G431 VanDerWaalsContact CG2-O 3.27Å; V390-G431 WeakPolarHBondContact CG2-O 3.37Å
391Y80.8Confident80.7Confident33 Ų3351.1 Ų51.113%0.12929%0.287CS..EExtended strand (participates in β ladder)trans-109.9142.7173.2-50.2-100.1000110S67 R68 A389 T405 C406 P408 C425 Q426 F427S67-Y391 WeakPolarHBondContact O-CE1 3.41Å; S67-Y391 VanDerWaalsContact O-CZ 3.28Å; S67-Y391 PolarHBondContact O-OH 3.01Å; R68-Y391 VanDerWaalsContact CA-OH 3.25Å; R68-Y391 WeakPolarHBondContact CA-OH 3.45Å; A389-Y391 HydrophobicContact CB-CE2 4.19Å; Y391-T405 VanDerWaalsContact O-CA 3.31Å; Y391-T405 WeakPolarHBondContact O-CA 3.32Å; Y391-C406 WeakPolarHBondContact CB-O 3.31Å; Y391-C406 PolarHBondContact O-N 3.4Å; Y391-P408 HydrophobicContact CD1-CG 4.07Å; Y391-P408 HydrophobicContact CD2-CG 4.1Å; Y391-P408 HydrophobicContact CE1-CG 4Å; Y391-P408 HydrophobicContact CE2-CG 4Å; Y391-P408 HydrophobicContact CG-CG 4.15Å; Y391-C425 WeakPolarHBondContact CB-SG 3.36Å; Y391-Q426 CarbonylContact C-O 3.38Å; Y391-Q426 WeakPolarHBondContact CA-O 3.4Å; Y391-Q426 WeakPolarHBondContact CB-O 3.37Å; Y391-F427 VanDerWaalsContact CD1-CA 3.49Å; Y391-F427 HydrophobicContact CD1-CB 3.95Å; Y391-F427 HydrophobicContact CE1-CB 3.87Å; Y391-F427 HydrophobicContact CE1-CD2 4.21Å
392K82.3Confident80.3Confident51 Ų5151.3 Ų51.322%0.22229%0.289CS..EExtended strand (participates in β ladder)trans-125.8155178.2-70.8-171.6171.8-1660111.3F394 A403 K404 Q426 A428K392-F394 HydrophobicContact CB-CE2 3.94Å; K392-F394 HydrophobicContact CB-CZ 4.37Å; K392-F394 VanDerWaalsContact O-CD2 3.23Å; K392-F394 WeakPolarHBondContact O-CD2 3.29Å; K392-A403 WeakPolarHBondContact CD-O 3.46Å; K392-K404 VanDerWaalsContact CA-O 3.27Å; K392-K404 WeakPolarHBondContact CA-O 3.42Å; K392-Q426 PolarHBondContact N-O 3.46Å; K392-Q426 PolarHBondContact O-N 3.47Å; K392-A428 HydrophobicContact CB-CB 4.16Å; K392-A428 HydrophobicContact CD-CB 4.15Å; K392-A428 HydrophobicContact CG-CB 3.95Å
393I83.1Confident79.8Confident5 Ų551.9 Ų51.93%0.02630%0.302CS..EExtended strand (participates in β ladder)trans-80.2124.5175.9-57.2172.9000109.4F401 A403 K404 C406 F411 E416 A423 R424I393-F401 HydrophobicContact CD1-CB 4.18Å; I393-A403 PolarHBondContact O-N 3.28Å; I393-K404 HydrophobicContact CD1-CB 4.38Å; I393-K404 PolarHBondContact N-O 2.9Å; I393-C406 HydrophobicContact CD1-CB 4.29Å; I393-C406 HydrophobicContact CG1-CB 3.75Å; I393-F411 HydrophobicContact CD1-CD2 4.38Å; I393-F411 HydrophobicContact CD1-CE2 3.65Å; I393-F411 HydrophobicContact CG1-CD2 4.38Å; I393-F411 HydrophobicContact CG1-CE2 3.71Å; I393-F411 HydrophobicContact CG1-CZ 4.31Å; I393-F411 HydrophobicContact CG2-CE2 4.39Å; I393-F411 HydrophobicContact CG2-CZ 4.25Å; I393-E416 HydrophobicContact CD1-CB 4.36Å; I393-A423 HydrophobicContact CG2-CB 3.64Å; I393-R424 CarbonylContact C-O 3.55Å; I393-R424 VanDerWaalsContact CA-O 3.3Å; I393-R424 WeakPolarHBondContact CA-O 3.39Å
394F79Confident79.6Confident94 Ų9457.1 Ų57.141%0.41233%0.325SS..EExtended strand (participates in β ladder)trans-116.6133.8173.9-66.6-91.5000110K392 A423 R424 Q426K392-F394 HydrophobicContact CB-CE2 3.94Å; K392-F394 HydrophobicContact CB-CZ 4.37Å; K392-F394 VanDerWaalsContact O-CD2 3.23Å; K392-F394 WeakPolarHBondContact O-CD2 3.29Å; F394-A423 WeakPolarHBondContact O-CA 3.42Å; F394-R424 PolarHBondContact N-O 2.93Å; F394-R424 PolarHBondContact O-N 3.08Å; F394-Q426 HydrophobicContact CD2-CB 3.78Å; F394-Q426 HydrophobicContact CD2-CG 4.37Å; F394-Q426 HydrophobicContact CE2-CB 4.02Å
395D80Confident79.6Confident25 Ų2557.1 Ų57.113%0.13432%0.322CS..  trans-143.5139.2175.4-165.4-16.7000108.7S397 C399 A423D395-S397 VanDerWaalsContact C-N 3.29Å; D395-S397 PolarHBondContact OD1-N 3.44Å; D395-S397 PolarHBondContact OD1-OG 3.46Å; D395-S397 PolarHBondContact OD2-OG 2.86Å; D395-C399 HydrophobicContact CB-CB 4.04Å; D395-C399 WeakPolarHBondContact OD2-CB 3.33Å; D395-A423 HydrophobicContact CB-CB 4.07Å
396D68.3Low79.6Confident128 Ų12857.6 Ų57.668%0.68433%0.326SS*.SBendtrans-79.2-18.7174.5-62.6-35.9000111.4R152R152-D396 WeakPolarHBondContact CD-OD2 3.38Å; R152-D396 IonicContact CZ-OD2 2.71Å; R152-D396 IonicContact NE-OD2 3.14Å; R152-D396 IonicContact NH1-OD2 4Å; R152-D396 PolarHBondContact NH1-OD2 3.38Å
397S73.4Confident79.5Confident51 Ų5161.2 Ų61.236%0.35735%0.345SS..SBendtrans-96.5152.517566.90000111.3D395 C399D395-S397 VanDerWaalsContact C-N 3.29Å; D395-S397 PolarHBondContact OD1-N 3.44Å; D395-S397 PolarHBondContact OD1-OG 3.46Å; D395-S397 PolarHBondContact OD2-OG 2.86Å; S397-C399 VanDerWaalsContact C-N 3.29Å; S397-C399 PolarHBondContact O-N 3.48Å
398P74Confident79.5Confident141 Ų14161.4 Ų61.492%0.91635%0.348SS*.  trans-68.686.5-179.725.8-31.9000111
399C79.1Confident79.5Confident13 Ų1363.9 Ų63.99%0.08836%0.36CS..  trans-94.5136174.5172.20000110.5D395 S397 F401 T402 C420D395-C399 HydrophobicContact CB-CB 4.04Å; D395-C399 WeakPolarHBondContact OD2-CB 3.33Å; S397-C399 VanDerWaalsContact C-N 3.29Å; S397-C399 PolarHBondContact O-N 3.48Å; C399-F401 PolarHBondContact O-N 3.19Å; C399-F401 VanDerWaalsContact O-N 3.15Å; C399-F401 PolarHBondContact SG-N 3.4Å; C399-F401 VanDerWaalsContact SG-N 3.43Å; C399-T402 PolarHBondContact O-N 3.05Å; C399-T402 PolarHBondContact O-OG1 3.33Å; C399-T402 VanDerWaalsContact O-OG1 3.08Å; C399-C420 HydrophobicContact CB-CB 3.91Å; C399-C420 WeakPolarHBondContact CB-SG 3.29Å; C399-C420 WeakPolarHBondContact SG-CB 3.34Å; C399-C420 CovalentContact SG-SG 2.03Å; C399-C420 PolarHBondContact SG-SG 3.43Å
400P81Confident79.9Confident105 Ų10566.1 Ų66.168%0.68237%0.371SS*.THydrogen-bonded Turntrans-69.5-8.517925.5-32.2000114.3
401F80.1Confident79.9Confident36 Ų3666 Ų6616%0.15837%0.369CS..THydrogen-bonded Turntrans-104.22179.7-56.9-85.4000113.7I393 C399 A403 K404 E416 Q419I393-F401 HydrophobicContact CD1-CB 4.18Å; C399-F401 PolarHBondContact O-N 3.19Å; C399-F401 VanDerWaalsContact O-N 3.15Å; C399-F401 PolarHBondContact SG-N 3.4Å; C399-F401 VanDerWaalsContact SG-N 3.43Å; F401-A403 PolarHBondContact O-N 3.47Å; F401-K404 HydrophobicContact CB-CD 4.46Å; F401-K404 HydrophobicContact CD1-CD 4.03Å; F401-K404 WeakPolarHBondContact O-CB 3.49Å; F401-K404 PolarHBondContact O-N 3.4Å; F401-E416 HydrophobicContact CD1-CG 3.85Å; F401-E416 HydrophobicContact CE1-CG 4.19Å; F401-E416 HydrophobicContact CG-CB 4.4Å; F401-E416 HydrophobicContact CG-CG 4.21Å; F401-Q419 HydrophobicContact CE2-CB 4.26Å
402T80.5Confident79.8Confident60 Ų6069.1 Ų69.137%0.36839%0.393SS..THydrogen-bonded Turntrans-56.5139.1177.5-57.60000111C399 K404C399-T402 PolarHBondContact O-N 3.05Å; C399-T402 PolarHBondContact O-OG1 3.33Å; C399-T402 VanDerWaalsContact O-OG1 3.08Å; T402-K404 VanDerWaalsContact C-N 3.25Å; T402-K404 PolarHBondContact O-N 2.92Å
403A78.3Confident79.7Confident58 Ų5870.7 Ų70.748%0.47941%0.411SS..THydrogen-bonded Turntrans67.84.5-177.700000117.2K392 I393 F401K392-A403 WeakPolarHBondContact CD-O 3.46Å; I393-A403 PolarHBondContact O-N 3.28Å; F401-A403 PolarHBondContact O-N 3.47Å
404K83.8Confident79.7Confident110 Ų11071.5 Ų71.548%0.47842%0.417SS..  trans-74.6153.5168.4-68.9-173.4179.7177.50111.7K392 I393 F401 T402K392-K404 VanDerWaalsContact CA-O 3.27Å; K392-K404 WeakPolarHBondContact CA-O 3.42Å; I393-K404 HydrophobicContact CD1-CB 4.38Å; I393-K404 PolarHBondContact N-O 2.9Å; F401-K404 HydrophobicContact CB-CD 4.46Å; F401-K404 HydrophobicContact CD1-CD 4.03Å; F401-K404 WeakPolarHBondContact O-CB 3.49Å; F401-K404 PolarHBondContact O-N 3.4Å; T402-K404 VanDerWaalsContact C-N 3.25Å; T402-K404 PolarHBondContact O-N 2.92Å
405T84.5Confident79.8Confident64 Ų6471.8 Ų71.839%0.39342%0.422SS..EExtended strand (participates in β ladder)trans-71.2140.7177.344.90000111.3V390 Y391 E433V390-T405 HydrophobicContact CG1-CG2 3.79Å; Y391-T405 VanDerWaalsContact O-CA 3.31Å; Y391-T405 WeakPolarHBondContact O-CA 3.32Å; T405-E433 HydrophobicContact CG2-CG 4.42Å; T405-E433 WeakPolarHBondContact CG2-OE1 3.36Å
406C83.4Confident79.8Confident20 Ų2074.1 Ų74.114%0.13543%0.432CS..EExtended strand (participates in β ladder)trans-139.4156.9-17956.30000110.4Y391 I393 F411 C425Y391-C406 WeakPolarHBondContact CB-O 3.31Å; Y391-C406 PolarHBondContact O-N 3.4Å; I393-C406 HydrophobicContact CD1-CB 4.29Å; I393-C406 HydrophobicContact CG1-CB 3.75Å; C406-F411 HydrophobicContact CB-CD2 3.91Å; C406-C425 VanDerWaalsContact C-SG 3.58Å; C406-C425 HydrophobicContact CB-CB 3.89Å; C406-C425 WeakPolarHBondContact CB-SG 3.49Å; C406-C425 WeakPolarHBondContact SG-CA 3.32Å; C406-C425 WeakPolarHBondContact SG-CB 3.42Å; C406-C425 CovalentContact SG-SG 2.02Å; C406-C425 PolarHBondContact SG-SG 3.24Å
407N83Confident80.2Confident80 Ų8069.3 Ų69.343%0.42841%0.409SS..  trans-104.1121.2169179.6-18.7000108.3E409 T410 F411N407-E409 PolarHBondContact O-N 3.47Å; N407-E409 VanDerWaalsContact O-N 3.16Å; N407-E409 PolarHBondContact OD1-N 3.15Å; N407-T410 PolarHBondContact O-N 3.03Å; N407-F411 WeakPolarHBondContact O-CB 3.4Å; N407-F411 PolarHBondContact O-N 3Å
408P79Confident80.5Confident50 Ų5076 Ų7633%0.32543%0.426SS..THydrogen-bonded Turntrans-59.8-26.7-175.523.8-34.7000113.8Y391Y391-P408 HydrophobicContact CD1-CG 4.07Å; Y391-P408 HydrophobicContact CD2-CG 4.1Å; Y391-P408 HydrophobicContact CE1-CG 4Å; Y391-P408 HydrophobicContact CE2-CG 4Å; Y391-P408 HydrophobicContact CG-CG 4.15Å
409E79.7Confident80.9Confident171 Ų17174.8 Ų74.880%0.79941%0.408SS*.THydrogen-bonded Turntrans-77-35.9-179.3-63-171.3163.900112.7N407N407-E409 PolarHBondContact O-N 3.47Å; N407-E409 VanDerWaalsContact O-N 3.16Å; N407-E409 PolarHBondContact OD1-N 3.15Å
410T83.2Confident81Confident77 Ų7774.5 Ų74.547%0.47241%0.407SS..THydrogen-bonded Turntrans-98.5-20.7-175.560.40000113.1N407 P412 S413 S414N407-T410 PolarHBondContact O-N 3.03Å; T410-P412 VanDerWaalsContact C-CD 3.42Å; T410-S413 PolarHBondContact O-N 3.26Å; T410-S413 VanDerWaalsContact O-N 3.1Å; T410-S413 PolarHBondContact O-OG 3Å; T410-S414 PolarHBondContact O-N 3.43Å
411F81.9Confident80.7Confident15 Ų1574.7 Ų74.77%0.06641%0.408CS..G310 helixtrans-53.5-42.4-177.1-177.7-100.7000114.8I393 C406 N407 S413 S414 E416 S417 A423 C425I393-F411 HydrophobicContact CD1-CD2 4.38Å; I393-F411 HydrophobicContact CD1-CE2 3.65Å; I393-F411 HydrophobicContact CG1-CD2 4.38Å; I393-F411 HydrophobicContact CG1-CE2 3.71Å; I393-F411 HydrophobicContact CG1-CZ 4.31Å; I393-F411 HydrophobicContact CG2-CE2 4.39Å; I393-F411 HydrophobicContact CG2-CZ 4.25Å; C406-F411 HydrophobicContact CB-CD2 3.91Å; N407-F411 WeakPolarHBondContact O-CB 3.4Å; N407-F411 PolarHBondContact O-N 3Å; F411-S413 PolarHBondContact O-N 3.4Å; F411-S414 WeakPolarHBondContact O-CB 3.34Å; F411-S414 PolarHBondContact O-N 3.06Å; F411-S414 PolarHBondContact O-OG 3.32Å; F411-E416 HydrophobicContact CE2-CB 4.35Å; F411-S417 WeakPolarHBondContact O-CB 3.45Å; F411-A423 VanDerWaalsContact CE1-O 3.32Å; F411-A423 WeakPolarHBondContact CE1-O 3.27Å; F411-A423 HydrophobicContact CZ-CB 4.32Å; F411-C425 HydrophobicContact CB-CB 3.91Å; F411-C425 HydrophobicContact CD1-CB 3.69Å; F411-C425 HydrophobicContact CD2-CB 4.15Å; F411-C425 HydrophobicContact CE1-CB 4.24Å; F411-C425 HydrophobicContact CG-CB 3.63Å
412P78.9Confident80.4Confident97 Ų9777.2 Ų77.263%0.6342%0.423SS*.G310 helixtrans-60.3-21.2179.8-23.434.2000114.4T410T410-P412 VanDerWaalsContact C-CD 3.42Å
413S79.7Confident80.3Confident85 Ų8574.7 Ų74.759%0.59441%0.408SS*.G310 helixtrans-102.4-2.3179.9640000113.7T410 F411T410-S413 PolarHBondContact O-N 3.26Å; T410-S413 VanDerWaalsContact O-N 3.1Å; T410-S413 PolarHBondContact O-OG 3Å; F411-S413 PolarHBondContact O-N 3.4Å
414S82.3Confident80.2Confident22 Ų2274 Ų7415%0.15439%0.393CS..SBendtrans-83.2160.9-170.792.20000112.7T410 F411 E416 S417 R418T410-S414 PolarHBondContact O-N 3.43Å; F411-S414 WeakPolarHBondContact O-CB 3.34Å; F411-S414 PolarHBondContact O-N 3.06Å; F411-S414 PolarHBondContact O-OG 3.32Å; S414-E416 VanDerWaalsContact C-N 3.25Å; S414-E416 WeakPolarHBondContact CB-OE2 3.46Å; S414-E416 PolarHBondContact O-N 3.22Å; S414-E416 PolarHBondContact OG-OE2 2.82Å; S414-S417 PolarHBondContact O-N 3.03Å; S414-S417 PolarHBondContact OG-N 2.97Å; S414-R418 PolarHBondContact O-N 2.97Å
415N80.8Confident80.1Confident99 Ų9969.9 Ų69.953%0.52938%0.378SS..Hα-helixtrans-69.3-29.2-178.8-159.122.7000111.6R418 Q419N415-R418 WeakPolarHBondContact O-CB 3.45Å; N415-R418 PolarHBondContact O-N 3.29Å; N415-Q419 PolarHBondContact O-N 2.96Å
416E79.8Confident79.7Confident74 Ų7469.3 Ų69.335%0.34637%0.371SS..Hα-helixtrans-63.5-42.5175.2-57.777.9-173.400111.2I393 F401 F411 S414 R418 Q419 C420I393-E416 HydrophobicContact CD1-CB 4.36Å; F401-E416 HydrophobicContact CD1-CG 3.85Å; F401-E416 HydrophobicContact CE1-CG 4.19Å; F401-E416 HydrophobicContact CG-CB 4.4Å; F401-E416 HydrophobicContact CG-CG 4.21Å; F411-E416 HydrophobicContact CE2-CB 4.35Å; S414-E416 VanDerWaalsContact C-N 3.25Å; S414-E416 WeakPolarHBondContact CB-OE2 3.46Å; S414-E416 PolarHBondContact O-N 3.22Å; S414-E416 PolarHBondContact OG-OE2 2.82Å; E416-R418 VanDerWaalsContact C-N 3.27Å; E416-R418 PolarHBondContact O-N 3.38Å; E416-Q419 PolarHBondContact O-N 3.47Å; E416-C420 PolarHBondContact O-N 3.22Å
417S78.4Confident79.4Confident28 Ų2869.3 Ų69.320%0.19637%0.369CS..Hα-helixtrans-68.1-26174.8-179.70000112.7F411 S414 C420F411-S417 WeakPolarHBondContact O-CB 3.45Å; S414-S417 PolarHBondContact O-N 3.03Å; S414-S417 PolarHBondContact OG-N 2.97Å; S417-C420 CarbonylContact O-C 3.55Å
418R80.1Confident79.1Confident191 Ų19166 Ų6672%0.72135%0.353SS*.Hα-helixtrans-77.1-35.9174.9-67.1179.6-177.4179.60.7112.6S414 N415 E416S414-R418 PolarHBondContact O-N 2.97Å; N415-R418 WeakPolarHBondContact O-CB 3.45Å; N415-R418 PolarHBondContact O-N 3.29Å; E416-R418 VanDerWaalsContact C-N 3.27Å; E416-R418 PolarHBondContact O-N 3.38Å
419Q82.1Confident78.8Confident115 Ų11566 Ų6654%0.53735%0.348SS..Hα-helixtrans-78.5-31178.9-77179.3-15.100112.7F401 N415 E416F401-Q419 HydrophobicContact CE2-CB 4.26Å; N415-Q419 PolarHBondContact O-N 2.96Å; E416-Q419 PolarHBondContact O-N 3.47Å
420C80.2Confident78.6Confident8 Ų860.1 Ų60.15%0.05432%0.318CS..  trans-122.888174.6-59.10000109.6C399 E416 S417 N422 A423C399-C420 HydrophobicContact CB-CB 3.91Å; C399-C420 WeakPolarHBondContact CB-SG 3.29Å; C399-C420 WeakPolarHBondContact SG-CB 3.34Å; C399-C420 CovalentContact SG-SG 2.03Å; C399-C420 PolarHBondContact SG-SG 3.43Å; E416-C420 PolarHBondContact O-N 3.22Å; S417-C420 CarbonylContact O-C 3.55Å; C420-N422 PolarHBondContact O-N 3.09Å; C420-N422 VanDerWaalsContact O-N 3.17Å; C420-A423 HydrophobicContact CB-CB 3.47Å; C420-A423 VanDerWaalsContact CB-CB 3.47Å; C420-A423 VanDerWaalsContact O-CB 3.31Å; C420-A423 WeakPolarHBondContact O-CB 3.42Å; C420-A423 PolarHBondContact O-N 3.13Å
421P74Confident78Confident108 Ų10856.8 Ų56.870%0.70130%0.299SS*.THydrogen-bonded Turntrans-66.1-18.9-174.424.3-32.9000113.7
422N75Confident77.3Confident90 Ų9057.1 Ų57.148%0.48131%0.307SS..THydrogen-bonded Turntrans-94.3-6175.7-67.3-30.8000113.5C420C420-N422 PolarHBondContact O-N 3.09Å; C420-N422 VanDerWaalsContact O-N 3.17Å
423A78.2Confident76.7Confident6 Ų658 Ų585%0.0530%0.303CS..  trans-78.2142.5-177.300000111.5I393 F394 D395 F411 C420I393-A423 HydrophobicContact CG2-CB 3.64Å; F394-A423 WeakPolarHBondContact O-CA 3.42Å; D395-A423 HydrophobicContact CB-CB 4.07Å; F411-A423 VanDerWaalsContact CE1-O 3.32Å; F411-A423 WeakPolarHBondContact CE1-O 3.27Å; F411-A423 HydrophobicContact CZ-CB 4.32Å; C420-A423 HydrophobicContact CB-CB 3.47Å; C420-A423 VanDerWaalsContact CB-CB 3.47Å; C420-A423 VanDerWaalsContact O-CB 3.31Å; C420-A423 WeakPolarHBondContact O-CB 3.42Å; C420-A423 PolarHBondContact O-N 3.13Å
424R76.1Confident76.4Confident43 Ų4356.7 Ų56.716%0.16229%0.293CS..EExtended strand (participates in β ladder)trans-135.3141-173.2-59.4178.9179.1171.5-23111.7E149 D153 I393 F394E149-R424 VanDerWaalsContact CG-NH2 3.33Å; E149-R424 IonicContact OE1-NH2 3.79Å; E149-R424 PolarHBondContact OE1-NH2 3.46Å; D153-R424 IonicContact OD1-CZ 2.99Å; D153-R424 IonicContact OD1-NE 2.75Å; D153-R424 IonicContact OD1-NH1 3.79Å; D153-R424 PolarHBondContact OD1-NH1 3.43Å; D153-R424 IonicContact OD1-NH2 2.95Å; D153-R424 PolarHBondContact OD1-NH2 2.98Å; D153-R424 IonicContact OD2-CZ 3.92Å; D153-R424 IonicContact OD2-NE 2.8Å; D153-R424 IonicContact OD2-NH1 3.19Å; D153-R424 PolarHBondContact OD2-NH1 3.44Å; D153-R424 IonicContact OD2-NH2 3.46Å; D153-R424 PolarHBondContact OD2-NH2 3.04Å; I393-R424 CarbonylContact C-O 3.55Å; I393-R424 VanDerWaalsContact CA-O 3.3Å; I393-R424 WeakPolarHBondContact CA-O 3.39Å; F394-R424 PolarHBondContact N-O 2.93Å; F394-R424 PolarHBondContact O-N 3.08Å
425C81.4Confident76Confident24 Ų2458.6 Ų58.616%0.16232%0.317CS..EExtended strand (participates in β ladder)trans-88.4107175.6-170.70000110.3Y391 C406 F411Y391-C425 WeakPolarHBondContact CB-SG 3.36Å; C406-C425 VanDerWaalsContact C-SG 3.58Å; C406-C425 HydrophobicContact CB-CB 3.89Å; C406-C425 WeakPolarHBondContact CB-SG 3.49Å; C406-C425 WeakPolarHBondContact SG-CA 3.32Å; C406-C425 WeakPolarHBondContact SG-CB 3.42Å; C406-C425 CovalentContact SG-SG 2.02Å; C406-C425 PolarHBondContact SG-SG 3.24Å; F411-C425 HydrophobicContact CB-CB 3.91Å; F411-C425 HydrophobicContact CD1-CB 3.69Å; F411-C425 HydrophobicContact CD2-CB 4.15Å; F411-C425 HydrophobicContact CE1-CB 4.24Å; F411-C425 HydrophobicContact CG-CB 3.63Å
426Q76.2Confident75.9Confident53 Ų5355.9 Ų55.925%0.24830%0.299CS..EExtended strand (participates in β ladder)trans-118.7151.7-179.2-65.3179.7-18.900111.4R152 D153 Y391 K392 F394 A428R152-Q426 PolarHBondContact O-NE2 3.04Å; R152-Q426 VanDerWaalsContact O-NE2 3.09Å; D153-Q426 PolarHBondContact O-NE2 3.39Å; Y391-Q426 CarbonylContact C-O 3.38Å; Y391-Q426 WeakPolarHBondContact CA-O 3.4Å; Y391-Q426 WeakPolarHBondContact CB-O 3.37Å; K392-Q426 PolarHBondContact N-O 3.46Å; K392-Q426 PolarHBondContact O-N 3.47Å; F394-Q426 HydrophobicContact CD2-CB 3.78Å; F394-Q426 HydrophobicContact CD2-CG 4.37Å; F394-Q426 HydrophobicContact CE2-CB 4.02Å; Q426-A428 PolarHBondContact O-N 2.94Å
427F77.4Confident75.7Confident20 Ų2053.8 Ų53.89%0.08829%0.289CS..EExtended strand (participates in β ladder)trans-61.2123.6174.7173.1-97.7000109.6S67 A389 Y391 Y430S67-F427 WeakPolarHBondContact OG-CD1 3.24Å; A389-F427 HydrophobicContact CB-CD2 4.39Å; A389-F427 HydrophobicContact CB-CE2 4.07Å; Y391-F427 VanDerWaalsContact CD1-CA 3.49Å; Y391-F427 HydrophobicContact CD1-CB 3.95Å; Y391-F427 HydrophobicContact CE1-CB 3.87Å; Y391-F427 HydrophobicContact CE1-CD2 4.21Å; F427-Y430 HydrophobicContact CE2-CD2 4.11Å; F427-Y430 HydrophobicContact CE2-CE2 4Å; F427-Y430 AromaticContact CZ-CD2 3.6Å; F427-Y430 HydrophobicContact CZ-CD2 3.6Å; F427-Y430 AromaticContact CZ-CE2 3.62Å; F427-Y430 HydrophobicContact CZ-CE2 3.62Å; F427-Y430 HydrophobicContact CZ-CG 4.36Å
428A76.4Confident75.6Confident11 Ų1162 Ų629%0.09132%0.316CS..EExtended strand (participates in β ladder)trans-97.5-60.4177.900000110.3V390 K392 Q426V390-A428 PolarHBondContact O-N 3.32Å; K392-A428 HydrophobicContact CB-CB 4.16Å; K392-A428 HydrophobicContact CD-CB 4.15Å; K392-A428 HydrophobicContact CG-CB 3.95Å; Q426-A428 PolarHBondContact O-N 2.94Å
429F73.6Confident75.8Confident50 Ų5055.1 Ų55.122%0.21930%0.3CS..EExtended strand (participates in β ladder)trans-167.1171.5-17657.9-92.8000112.5Q103 V390Q103-F429 HydrophobicContact CB-CB 3.75Å; Q103-F429 HydrophobicContact CG-CB 3.69Å; Q103-F429 HydrophobicContact CG-CD2 4.15Å; Q103-F429 HydrophobicContact CG-CG 4.21Å; Q103-F429 VanDerWaalsContact OE1-CD2 3.22Å; V390-F429 HydrophobicContact CB-CE2 4.43Å; V390-F429 HydrophobicContact CG2-CE2 4.32Å; V390-F429 PolarHBondContact N-O 3.45Å; V390-F429 PolarHBondContact O-N 3.21Å
430Y74Confident75.8Confident47 Ų4750.5 Ų50.518%0.18428%0.279CS..EExtended strand (participates in β ladder)trans-88.5120.1169.1-75.7-85.3000110.7T65 D66 E388 A389 F427T65-Y430 WeakPolarHBondContact CB-OH 3.46Å; T65-Y430 PolarHBondContact O-OH 2.97Å; T65-Y430 PolarHBondContact OG1-OH 3.01Å; D66-Y430 PolarHBondContact O-OH 2.69Å; E388-Y430 CarbonylContact O-C 3.57Å; E388-Y430 WeakPolarHBondContact O-CA 3.31Å; A389-Y430 HydrophobicContact CB-CD1 4.27Å; A389-Y430 HydrophobicContact CB-CE1 4.04Å; F427-Y430 HydrophobicContact CE2-CD2 4.11Å; F427-Y430 HydrophobicContact CE2-CE2 4Å; F427-Y430 AromaticContact CZ-CD2 3.6Å; F427-Y430 HydrophobicContact CZ-CD2 3.6Å; F427-Y430 AromaticContact CZ-CE2 3.62Å; F427-Y430 HydrophobicContact CZ-CE2 3.62Å; F427-Y430 HydrophobicContact CZ-CG 4.36Å
431G71.8Confident76Confident7 Ų756.3 Ų56.37%0.07231%0.308CS..EExtended strand (participates in β ladder)trans176.2-157.8-179.400000111E388 V390E388-G431 CarbonylContact C-O 3.43Å; E388-G431 PolarHBondContact N-O 3.07Å; E388-G431 PolarHBondContact O-N 3.24Å; V390-G431 VanDerWaalsContact CG2-O 3.27Å; V390-G431 WeakPolarHBondContact CG2-O 3.37Å
432G67.7Low76.6Confident22 Ų2253.2 Ų53.223%0.22730%0.296CS..  trans-170.2162.4169.300000111.7H437G432-H437 WeakPolarHBondContact CA-CD2 3.37Å; G432-H437 VanDerWaalsContact O-CB 3.32Å; G432-H437 WeakPolarHBondContact O-CB 3.12Å
433E65.9Low77.4Confident116 Ų11650.6 Ų50.654%0.54228%0.282SS..SBendtrans-91.8-7.3-177.4-66.2-173.1156.200113.2T405T405-E433 HydrophobicContact CG2-CG 4.42Å; T405-E433 WeakPolarHBondContact CG2-OE1 3.36Å
434S72.3Confident77.9Confident57 Ų5752.6 Ų52.640%0.39929%0.291SS..SBendtrans-65.6154.1-179.982.40000112Y436 H437 R438S434-Y436 PolarHBondContact O-N 3.24Å; S434-Y436 VanDerWaalsContact O-N 3.13Å; S434-H437 PolarHBondContact O-N 3.26Å; S434-H437 VanDerWaalsContact O-N 3.09Å; S434-H437 PolarHBondContact OG-CD2 3.45Å; S434-H437 PolarHBondContact OG-N 2.96Å; S434-R438 PolarHBondContact O-N 2.82Å
435G74.8Confident78.6Confident62 Ų6254.9 Ų54.964%0.63931%0.305SS*.Hα-helixtrans-56.2-29.7176.600000113.3A439G435-A439 WeakPolarHBondContact O-CB 3.34Å; G435-A439 PolarHBondContact O-N 3.39Å; G435-A439 VanDerWaalsContact O-N 3.09Å
436Y78.9Confident79.2Confident42 Ų4256.7 Ų56.717%0.16531%0.31CS..Hα-helixtrans-63.7-48.9174.4171.7-101.1000112.5I51 H55 S386 S434 R438 A439 L440 L443I51-Y436 HydrophobicContact CG2-CD2 4.01Å; I51-Y436 HydrophobicContact CG2-CE2 3.51Å; H55-Y436 HydrophobicContact CB-CE1 4.38Å; S386-Y436 VanDerWaalsContact CB-OH 3.29Å; S386-Y436 WeakPolarHBondContact CB-OH 3.48Å; S386-Y436 WeakPolarHBondContact OG-CE1 3.27Å; S386-Y436 PolarHBondContact OG-OH 3.46Å; S434-Y436 PolarHBondContact O-N 3.24Å; S434-Y436 VanDerWaalsContact O-N 3.13Å; Y436-R438 VanDerWaalsContact C-N 3.31Å; Y436-R438 PolarHBondContact O-N 3.28Å; Y436-A439 CarbonylContact O-C 3.58Å; Y436-A439 WeakPolarHBondContact O-CA 3.21Å; Y436-A439 PolarHBondContact O-N 2.97Å; Y436-L440 HydrophobicContact CE1-CD1 4.27Å; Y436-L440 PolarHBondContact O-N 3.48Å; Y436-L440 VanDerWaalsContact O-N 3.08Å; Y436-L443 HydrophobicContact CD2-CD1 4.15Å; Y436-L443 HydrophobicContact CE2-CD1 3.77Å
437H74.9Confident80.1Confident29 Ų2954.1 Ų54.113%0.13430%0.298CS..Hα-helixtrans-66.7-32.8-178.8-64.2-67.3000112.5S386 G432 S434 A439 L440S386-H437 PolarHBondContact O-CE1 3.09Å; G432-H437 WeakPolarHBondContact CA-CD2 3.37Å; G432-H437 VanDerWaalsContact O-CB 3.32Å; G432-H437 WeakPolarHBondContact O-CB 3.12Å; S434-H437 PolarHBondContact O-N 3.26Å; S434-H437 VanDerWaalsContact O-N 3.09Å; S434-H437 PolarHBondContact OG-CD2 3.45Å; S434-H437 PolarHBondContact OG-N 2.96Å; H437-A439 VanDerWaalsContact C-N 3.32Å; H437-L440 WeakPolarHBondContact O-CB 3.26Å; H437-L440 PolarHBondContact O-N 2.94Å
438R76.8Confident80.8Confident202 Ų20254.7 Ų54.776%0.76231%0.306SS*.Hα-helixtrans-67.6-33.4171.5-64.7-174.9-172.5176.82.7112.2S434 Y436 L440S434-R438 PolarHBondContact O-N 2.82Å; Y436-R438 VanDerWaalsContact C-N 3.31Å; Y436-R438 PolarHBondContact O-N 3.28Å; R438-L440 VanDerWaalsContact C-N 3.34Å
439A83.6Confident81.8Confident45 Ų4556.1 Ų56.137%0.37231%0.311SS..Hα-helixtrans-80.4-10178.800000113.9G435 Y436 H437 L441 G442 L443G435-A439 WeakPolarHBondContact O-CB 3.34Å; G435-A439 PolarHBondContact O-N 3.39Å; G435-A439 VanDerWaalsContact O-N 3.09Å; Y436-A439 CarbonylContact O-C 3.58Å; Y436-A439 WeakPolarHBondContact O-CA 3.21Å; Y436-A439 PolarHBondContact O-N 2.97Å; H437-A439 VanDerWaalsContact C-N 3.32Å; A439-L441 VanDerWaalsContact C-N 3.32Å; A439-L441 PolarHBondContact O-N 3.07Å; A439-G442 CarbonylContact O-C 3.54Å; A439-G442 WeakPolarHBondContact O-CA 3.44Å; A439-G442 PolarHBondContact O-N 3.3Å; A439-L443 WeakPolarHBondContact O-CG 2.92Å; A439-L443 PolarHBondContact O-N 3.27Å
440L83.8Confident82.9Confident19 Ų1953.8 Ų53.810%0.09930%0.3CS..Hα-helixtrans-57.5-41-171.3-16572.3000113.6L383 S386 N387 Y436 H437 R438 G442 L443 Q444L383-L440 HydrophobicContact CB-CD1 4.33Å; L383-L440 HydrophobicContact CD2-CD1 3.94Å; L383-L440 WeakPolarHBondContact O-CD1 3.5Å; S386-L440 WeakPolarHBondContact OG-CD1 3.38Å; N387-L440 WeakPolarHBondContact OD1-CD2 3.23Å; Y436-L440 HydrophobicContact CE1-CD1 4.27Å; Y436-L440 PolarHBondContact O-N 3.48Å; Y436-L440 VanDerWaalsContact O-N 3.08Å; H437-L440 WeakPolarHBondContact O-CB 3.26Å; H437-L440 PolarHBondContact O-N 2.94Å; R438-L440 VanDerWaalsContact C-N 3.34Å; L440-G442 VanDerWaalsContact C-N 3.34Å; L440-L443 PolarHBondContact O-N 3.47Å; L440-Q444 WeakPolarHBondContact O-CG 3.47Å; L440-Q444 PolarHBondContact O-N 2.9Å
441L83.1Confident83.9Confident129 Ų12953.4 Ų53.468%0.67530%0.3SS*.Hα-helixtrans-62.8-42.717518063.4000111.2A439 Q444 I445A439-L441 VanDerWaalsContact C-N 3.32Å; A439-L441 PolarHBondContact O-N 3.07Å; L441-Q444 PolarHBondContact O-N 3.46Å; L441-I445 HydrophobicContact CD1-CD1 4.37Å; L441-I445 HydrophobicContact CG-CD1 4.1Å; L441-I445 VanDerWaalsContact O-CG1 3.31Å; L441-I445 WeakPolarHBondContact O-CG1 3.38Å; L441-I445 PolarHBondContact O-N 3.3Å
442G87.3Confident85.1Confident44 Ų4455.2 Ų55.245%0.45431%0.306SS..Hα-helixtrans-62.5-41.2175.200000112.3A439 L440 I445 F446A439-G442 CarbonylContact O-C 3.54Å; A439-G442 WeakPolarHBondContact O-CA 3.44Å; A439-G442 PolarHBondContact O-N 3.3Å; L440-G442 VanDerWaalsContact C-N 3.34Å; G442-I445 PolarHBondContact O-N 2.86Å; G442-F446 WeakPolarHBondContact O-CB 3.49Å; G442-F446 PolarHBondContact O-N 2.97Å
443L91Very high86.6Confident34 Ų3454.2 Ų54.218%0.17830%0.295CS..Hα-helixtrans-64.7-38.2175.8-65.5177.2000112.2V48 L383 Y436 A439 L440 F446 N447V48-L443 HydrophobicContact CG1-CD2 4.23Å; V48-L443 HydrophobicContact CG2-CD2 3.93Å; L383-L443 HydrophobicContact CD1-CB 4.15Å; L383-L443 HydrophobicContact CD2-CB 4.08Å; L383-L443 HydrophobicContact CD2-CD1 4.07Å; Y436-L443 HydrophobicContact CD2-CD1 4.15Å; Y436-L443 HydrophobicContact CE2-CD1 3.77Å; A439-L443 WeakPolarHBondContact O-CG 2.92Å; A439-L443 PolarHBondContact O-N 3.27Å; L440-L443 PolarHBondContact O-N 3.47Å; L443-F446 PolarHBondContact O-N 3.33Å; L443-N447 VanDerWaalsContact O-CB 3.29Å; L443-N447 WeakPolarHBondContact O-CB 3.38Å; L443-N447 PolarHBondContact O-N 2.92Å
444Q89.8Confident88.1Confident49 Ų4950.1 Ų50.123%0.22928%0.277CS..Hα-helixtrans-67.7-41.7174.7-73.6-74.113.100112.2A380 L383 L440 L441 N447 A448A380-Q444 PolarHBondContact O-NE2 3.36Å; L383-Q444 HydrophobicContact CB-CG 4.26Å; L383-Q444 HydrophobicContact CD1-CG 4.32Å; L440-Q444 WeakPolarHBondContact O-CG 3.47Å; L440-Q444 PolarHBondContact O-N 2.9Å; L441-Q444 PolarHBondContact O-N 3.46Å; Q444-N447 PolarHBondContact O-N 3.15Å; Q444-A448 PolarHBondContact O-N 3.23Å
445I89.9Confident89.2Confident90 Ų9048 Ų4846%0.46226%0.263SS..Hα-helixtrans-63.2-44.2174.4-67.9167000110.2L441 G442 A448 F449L441-I445 HydrophobicContact CD1-CD1 4.37Å; L441-I445 HydrophobicContact CG-CD1 4.1Å; L441-I445 VanDerWaalsContact O-CG1 3.31Å; L441-I445 WeakPolarHBondContact O-CG1 3.38Å; L441-I445 PolarHBondContact O-N 3.3Å; G442-I445 PolarHBondContact O-N 2.86Å; I445-A448 PolarHBondContact O-N 3.09Å; I445-F449 WeakPolarHBondContact O-CB 3.35Å; I445-F449 PolarHBondContact O-N 3.29Å
446F93.6Very high90.3Very high62 Ų6245.6 Ų45.627%0.27224%0.235SC..Hα-helixtrans-62-43.4175.5177.5-105.9000112Y45 V48 G442 L443 A448 F449 M450Y45-F446 HydrophobicContact CD2-CE1 4.1Å; V48-F446 HydrophobicContact CG2-CD1 4Å; V48-F446 HydrophobicContact CG2-CE1 3.93Å; G442-F446 WeakPolarHBondContact O-CB 3.49Å; G442-F446 PolarHBondContact O-N 2.97Å; L443-F446 PolarHBondContact O-N 3.33Å; F446-A448 PolarHBondContact O-N 3.08Å; F446-F449 WeakPolarHBondContact O-CB 3.37Å; F446-F449 PolarHBondContact O-N 2.9Å; F446-F449 VanDerWaalsContact O-N 3.16Å; F446-M450 HydrophobicContact CD1-CG 4.29Å; F446-M450 HydrophobicContact CD2-CG 4.22Å; F446-M450 HydrophobicContact CE1-CG 3.82Å; F446-M450 HydrophobicContact CE2-CG 3.73Å; F446-M450 HydrophobicContact CE2-SD 3.9Å; F446-M450 HydrophobicContact CG-CG 4.48Å; F446-M450 HydrophobicContact CZ-CG 3.51Å; F446-M450 HydrophobicContact CZ-SD 3.9Å; F446-M450 WeakPolarHBondContact O-CG 3.32Å; F446-M450 PolarHBondContact O-N 3.04Å
447N94.9Very high91.2Very high0 Ų044.9 Ų44.90%023%0.233CC..Hα-helixtrans-59-45.4175177.442.3000111.7Y45 W376 A380 L383 L443 Q444 F449 M450 F451Y45-N447 HydrophobicContact CE2-CB 4.24Å; Y45-N447 WeakPolarHBondContact CE2-OD1 3.26Å; Y45-N447 VanDerWaalsContact CZ-OD1 3.31Å; Y45-N447 PolarHBondContact OH-OD1 3.23Å; W376-N447 PolarHBondContact O-ND2 3.01Å; A380-N447 WeakPolarHBondContact CB-ND2 3.38Å; A380-N447 PolarHBondContact N-ND2 3.42Å; L383-N447 HydrophobicContact CD1-CB 4.29Å; L443-N447 VanDerWaalsContact O-CB 3.29Å; L443-N447 WeakPolarHBondContact O-CB 3.38Å; L443-N447 PolarHBondContact O-N 2.92Å; Q444-N447 PolarHBondContact O-N 3.15Å; N447-F449 VanDerWaalsContact C-N 3.34Å; N447-M450 PolarHBondContact O-N 3.29Å; N447-F451 PolarHBondContact O-N 2.94Å
448A93.5Very high92.3Very high31 Ų3144.1 Ų44.126%0.25623%0.231SC..Hα-helixtrans-63.7-39.2174.500000112.2Q444 I445 F446 F451 F452Q444-A448 PolarHBondContact O-N 3.23Å; I445-A448 PolarHBondContact O-N 3.09Å; F446-A448 PolarHBondContact O-N 3.08Å; A448-F451 WeakPolarHBondContact O-CB 3.28Å; A448-F451 PolarHBondContact O-N 3.49Å; A448-F452 WeakPolarHBondContact O-CD2 3.43Å; A448-F452 PolarHBondContact O-N 3.32Å; A448-F452 VanDerWaalsContact O-N 3.12Å
449F96.2Very high93.2Very high42 Ų4238.1 Ų38.118%0.18421%0.213CC..Hα-helixtrans-62.3-48.6175.9173-93.1000112.7I445 F446 N447 F451 F452 W453 L508 I512 I515I445-F449 WeakPolarHBondContact O-CB 3.35Å; I445-F449 PolarHBondContact O-N 3.29Å; F446-F449 WeakPolarHBondContact O-CB 3.37Å; F446-F449 PolarHBondContact O-N 2.9Å; F446-F449 VanDerWaalsContact O-N 3.16Å; N447-F449 VanDerWaalsContact C-N 3.34Å; F449-F451 VanDerWaalsContact C-N 3.27Å; F449-F451 PolarHBondContact O-N 2.85Å; F449-F452 PolarHBondContact O-N 3.12Å; F449-W453 HydrophobicContact CD1-CE3 4.3Å; F449-W453 HydrophobicContact CE1-CD2 4.32Å; F449-W453 AromaticContact CE1-CE3 3.38Å; F449-W453 HydrophobicContact CE1-CE3 3.38Å; F449-W453 AromaticContact CE1-CZ3 3.86Å; F449-W453 HydrophobicContact CE1-CZ3 3.86Å; F449-W453 HydrophobicContact CZ-CD2 4.38Å; F449-W453 AromaticContact CZ-CE3 3.77Å; F449-W453 HydrophobicContact CZ-CE3 3.77Å; F449-W453 HydrophobicContact CZ-CZ3 4.26Å; F449-W453 WeakPolarHBondContact O-CB 3.31Å; F449-W453 PolarHBondContact O-N 3.49Å; F449-L508 HydrophobicContact CE2-CD1 4.09Å; F449-L508 HydrophobicContact CZ-CD1 3.52Å; F449-I512 HydrophobicContact CE2-CG1 4.13Å; F449-I515 HydrophobicContact CB-CD1 3.27Å; F449-I515 HydrophobicContact CD2-CD1 3.33Å; F449-I515 HydrophobicContact CG-CD1 3.73Å
450M96.8Very high93.8Very high0 Ų036 Ų360%020%0.196CC..Hα-helixtrans-62.2-36.9177.6-70.6-53.9-58.400111.8A41 Y45 F446 N447 W453 L454A41-M450 HydrophobicContact CB-CE 3.8Å; A41-M450 HydrophobicContact CB-SD 3.93Å; Y45-M450 HydrophobicContact CD1-CB 3.83Å; Y45-M450 HydrophobicContact CD1-CE 4.4Å; Y45-M450 HydrophobicContact CD1-CG 4.34Å; Y45-M450 HydrophobicContact CD2-CB 3.74Å; Y45-M450 HydrophobicContact CD2-CG 3.83Å; Y45-M450 HydrophobicContact CE1-CB 3.86Å; Y45-M450 HydrophobicContact CE2-CB 3.81Å; Y45-M450 HydrophobicContact CE2-CG 4.36Å; Y45-M450 HydrophobicContact CG-CB 3.76Å; Y45-M450 HydrophobicContact CG-CE 4.38Å; Y45-M450 HydrophobicContact CG-CG 3.83Å; F446-M450 HydrophobicContact CD1-CG 4.29Å; F446-M450 HydrophobicContact CD2-CG 4.22Å; F446-M450 HydrophobicContact CE1-CG 3.82Å; F446-M450 HydrophobicContact CE2-CG 3.73Å; F446-M450 HydrophobicContact CE2-SD 3.9Å; F446-M450 HydrophobicContact CG-CG 4.48Å; F446-M450 HydrophobicContact CZ-CG 3.51Å; F446-M450 HydrophobicContact CZ-SD 3.9Å; F446-M450 WeakPolarHBondContact O-CG 3.32Å; F446-M450 PolarHBondContact O-N 3.04Å; N447-M450 PolarHBondContact O-N 3.29Å; M450-W453 HydrophobicContact CE-CE3 4.31Å; M450-W453 PolarHBondContact O-N 3.42Å; M450-W453 HydrophobicContact SD-CE3 3.88Å; M450-W453 HydrophobicContact SD-CZ3 4.26Å; M450-L454 HydrophobicContact CE-CD1 4.38Å; M450-L454 HydrophobicContact CE-CG 4.32Å; M450-L454 WeakPolarHBondContact O-CB 3.48Å; M450-L454 VanDerWaalsContact O-CG 3.28Å; M450-L454 WeakPolarHBondContact O-CG 3.48Å; M450-L454 PolarHBondContact O-N 2.7Å
451F96.6Very high94.4Very high39 Ų3935.5 Ų35.517%0.17119%0.193CC..Hα-helixtrans-58.4-53.6172.8169.5-106.3000112.4I373 W376 N447 A448 F449 W453 L454 A455I373-F451 HydrophobicContact CB-CE2 4.42Å; I373-F451 HydrophobicContact CG1-CE2 3.62Å; I373-F451 HydrophobicContact CG1-CZ 4.06Å; W376-F451 HydrophobicContact CB-CB 3.94Å; W376-F451 HydrophobicContact CB-CD2 3.74Å; W376-F451 HydrophobicContact CB-CG 4.07Å; W376-F451 VanDerWaalsContact CD1-CB 3.46Å; W376-F451 AromaticContact CD1-CG 3.97Å; W376-F451 HydrophobicContact CD2-CD2 4.35Å; W376-F451 HydrophobicContact CD2-CG 4.24Å; W376-F451 HydrophobicContact CG-CB 3.7Å; W376-F451 AromaticContact CG-CD2 3.91Å; W376-F451 HydrophobicContact CG-CD2 3.91Å; W376-F451 AromaticContact CG-CG 3.8Å; W376-F451 HydrophobicContact CG-CG 3.8Å; N447-F451 PolarHBondContact O-N 2.94Å; A448-F451 WeakPolarHBondContact O-CB 3.28Å; A448-F451 PolarHBondContact O-N 3.49Å; F449-F451 VanDerWaalsContact C-N 3.27Å; F449-F451 PolarHBondContact O-N 2.85Å; F451-W453 VanDerWaalsContact C-N 3.31Å; F451-W453 PolarHBondContact O-N 3.47Å; F451-L454 PolarHBondContact O-N 3.05Å; F451-A455 HydrophobicContact CE2-CB 4.5Å; F451-A455 WeakPolarHBondContact O-CB 3.29Å; F451-A455 PolarHBondContact O-N 3.39Å
452F96.6Very high95Very high45 Ų4529.6 Ų29.620%0.19716%0.163CC..Hα-helixtrans-61.6-41.5179-76.6-65.7000111.7A448 F449 N456 A511 Q514 I515 V518A448-F452 WeakPolarHBondContact O-CD2 3.43Å; A448-F452 PolarHBondContact O-N 3.32Å; A448-F452 VanDerWaalsContact O-N 3.12Å; F449-F452 PolarHBondContact O-N 3.12Å; F452-N456 WeakPolarHBondContact O-CB 3.2Å; F452-N456 PolarHBondContact O-N 2.94Å; F452-N456 PolarHBondContact O-ND2 3.01Å; F452-A511 HydrophobicContact CB-CB 3.99Å; F452-Q514 HydrophobicContact CD1-CB 4.03Å; F452-Q514 VanDerWaalsContact CD1-OE1 3.28Å; F452-Q514 HydrophobicContact CE1-CB 4.31Å; F452-Q514 HydrophobicContact CG-CB 4.29Å; F452-I515 HydrophobicContact CD2-CD1 4.37Å; F452-I515 HydrophobicContact CD2-CG1 3.72Å; F452-I515 HydrophobicContact CE2-CG1 4.25Å; F452-V518 HydrophobicContact CE2-CG2 4.03Å; F452-V518 HydrophobicContact CZ-CG2 3.8Å
453W97.8Very high95.4Very high2 Ų230 Ų301%0.00815%0.153CC..Hα-helixtrans-66.1-48-178.9-167.78.7000112.3F37 L38 A41 F449 M450 F451 N456 F457 A504 L508 A511F37-W453 AromaticContact CD1-CH2 3.25Å; F37-W453 HydrophobicContact CD1-CH2 3.25Å; F37-W453 AromaticContact CD1-CZ2 3.96Å; F37-W453 HydrophobicContact CD1-CZ2 3.96Å; F37-W453 HydrophobicContact CD1-CZ3 4.13Å; F37-W453 AromaticContact CE1-CH2 3.32Å; F37-W453 HydrophobicContact CE1-CH2 3.32Å; F37-W453 HydrophobicContact CE1-CZ2 4.23Å; F37-W453 AromaticContact CE1-CZ3 3.76Å; F37-W453 HydrophobicContact CE1-CZ3 3.76Å; F37-W453 HydrophobicContact CG-CH2 4.28Å; F37-W453 HydrophobicContact CZ-CH2 4.41Å; L38-W453 HydrophobicContact CB-CH2 4.46Å; L38-W453 HydrophobicContact CB-CZ2 4.21Å; L38-W453 HydrophobicContact CD1-CD2 4.24Å; L38-W453 HydrophobicContact CD1-CH2 4.22Å; L38-W453 HydrophobicContact CD1-CZ2 3.87Å; A41-W453 HydrophobicContact CB-CE3 4.39Å; A41-W453 HydrophobicContact CB-CH2 4.01Å; A41-W453 HydrophobicContact CB-CZ3 3.52Å; F449-W453 HydrophobicContact CD1-CE3 4.3Å; F449-W453 HydrophobicContact CE1-CD2 4.32Å; F449-W453 AromaticContact CE1-CE3 3.38Å; F449-W453 HydrophobicContact CE1-CE3 3.38Å; F449-W453 AromaticContact CE1-CZ3 3.86Å; F449-W453 HydrophobicContact CE1-CZ3 3.86Å; F449-W453 HydrophobicContact CZ-CD2 4.38Å; F449-W453 AromaticContact CZ-CE3 3.77Å; F449-W453 HydrophobicContact CZ-CE3 3.77Å; F449-W453 HydrophobicContact CZ-CZ3 4.26Å; F449-W453 WeakPolarHBondContact O-CB 3.31Å; F449-W453 PolarHBondContact O-N 3.49Å; M450-W453 HydrophobicContact CE-CE3 4.31Å; M450-W453 PolarHBondContact O-N 3.42Å; M450-W453 HydrophobicContact SD-CE3 3.88Å; M450-W453 HydrophobicContact SD-CZ3 4.26Å; F451-W453 VanDerWaalsContact C-N 3.31Å; F451-W453 PolarHBondContact O-N 3.47Å; W453-N456 PolarHBondContact O-N 2.85Å; W453-F457 WeakPolarHBondContact O-CB 3.42Å; W453-F457 PolarHBondContact O-N 3.3Å; W453-A504 PolarHBondContact NE1-O 2.88Å; W453-L508 HydrophobicContact CD2-CD1 3.98Å; W453-L508 HydrophobicContact CE3-CD1 4.21Å; W453-L508 HydrophobicContact CH2-CD1 4.35Å; W453-L508 HydrophobicContact CZ2-CB 4.15Å; W453-L508 HydrophobicContact CZ2-CD1 4.07Å; W453-L508 HydrophobicContact CZ2-CD2 4.31Å; W453-L508 HydrophobicContact CZ2-CG 4.41Å; W453-L508 HydrophobicContact CZ3-CD1 4.38Å; W453-A511 HydrophobicContact CB-CB 3.91Å; W453-A511 HydrophobicContact CG-CB 4.43Å
454L97.4Very high95.7Very high29 Ų2928.6 Ų28.615%0.15215%0.146CC..Hα-helixtrans-67.4-40178.3-66.8176.8000112.2L38 I42 Y45 M450 F451 N456 F457 V458L38-L454 HydrophobicContact CD1-CD2 4.16Å; I42-L454 HydrophobicContact CD1-CD2 4.1Å; I42-L454 HydrophobicContact CG1-CD2 3.96Å; Y45-L454 HydrophobicContact CD1-CD1 3.94Å; Y45-L454 HydrophobicContact CE1-CD1 3.97Å; M450-L454 HydrophobicContact CE-CD1 4.38Å; M450-L454 HydrophobicContact CE-CG 4.32Å; M450-L454 WeakPolarHBondContact O-CB 3.48Å; M450-L454 VanDerWaalsContact O-CG 3.28Å; M450-L454 WeakPolarHBondContact O-CG 3.48Å; M450-L454 PolarHBondContact O-N 2.7Å; F451-L454 PolarHBondContact O-N 3.05Å; L454-N456 PolarHBondContact O-N 3.25Å; L454-F457 WeakPolarHBondContact O-CB 3.46Å; L454-F457 PolarHBondContact O-N 2.95Å; L454-V458 WeakPolarHBondContact O-CG2 3.17Å; L454-V458 PolarHBondContact O-N 3.07Å
455A96.7Very high96Very high13 Ų1326.2 Ų26.211%0.10714%0.135CC..Hα-helixtrans-61.8-44.817600000111.6L369 F451 F457 V458 L459L369-A455 HydrophobicContact CD2-CB 3.91Å; F451-A455 HydrophobicContact CE2-CB 4.5Å; F451-A455 WeakPolarHBondContact O-CB 3.29Å; F451-A455 PolarHBondContact O-N 3.39Å; A455-F457 VanDerWaalsContact C-N 3.33Å; A455-F457 PolarHBondContact O-N 2.88Å; A455-V458 PolarHBondContact O-N 3.28Å; A455-L459 WeakPolarHBondContact O-CG 3.48Å; A455-L459 PolarHBondContact O-N 3.08Å; A455-L459 VanDerWaalsContact O-N 3.08Å
456N97.5Very high96.3Very high11 Ų1122.4 Ų22.46%0.05912%0.115CC..Hα-helixtrans-67.5-33.4175.4-72.9-56.2000112.4F452 W453 L454 L459 A460 A507 L510 Q514F452-N456 WeakPolarHBondContact O-CB 3.2Å; F452-N456 PolarHBondContact O-N 2.94Å; F452-N456 PolarHBondContact O-ND2 3.01Å; W453-N456 PolarHBondContact O-N 2.85Å; L454-N456 PolarHBondContact O-N 3.25Å; N456-L459 PolarHBondContact O-N 3.35Å; N456-A460 WeakPolarHBondContact O-CB 3.4Å; N456-A460 PolarHBondContact O-N 2.92Å; N456-A507 HydrophobicContact CB-CB 3.81Å; N456-L510 HydrophobicContact CB-CD2 4.43Å; N456-L510 WeakPolarHBondContact OD1-CD2 3.06Å; N456-Q514 PolarHBondContact ND2-OE1 2.67Å
457F97.6Very high96.4Very high27 Ų2719.4 Ų19.412%0.11810%0.103CC..Hα-helixtrans-63.4-44.8174.1176.4-93.7000111.5L38 W453 L454 A455 L459 A460 L461 T500 L503 A504 A507L38-F457 HydrophobicContact CD2-CD2 3.8Å; L38-F457 HydrophobicContact CD2-CE2 3.68Å; L38-F457 HydrophobicContact CD2-CG 4.31Å; L38-F457 HydrophobicContact CD2-CZ 4.12Å; W453-F457 WeakPolarHBondContact O-CB 3.42Å; W453-F457 PolarHBondContact O-N 3.3Å; L454-F457 WeakPolarHBondContact O-CB 3.46Å; L454-F457 PolarHBondContact O-N 2.95Å; A455-F457 VanDerWaalsContact C-N 3.33Å; A455-F457 PolarHBondContact O-N 2.88Å; F457-L459 VanDerWaalsContact C-N 3.33Å; F457-L459 PolarHBondContact O-N 3.36Å; F457-A460 PolarHBondContact O-N 2.82Å; F457-L461 WeakPolarHBondContact O-CB 3.44Å; F457-L461 PolarHBondContact O-N 2.78Å; F457-T500 HydrophobicContact CE2-CG2 3.97Å; F457-T500 HydrophobicContact CZ-CG2 3.93Å; F457-L503 HydrophobicContact CD2-CB 4.01Å; F457-L503 HydrophobicContact CE2-CB 3.76Å; F457-A504 HydrophobicContact CD2-CB 4.32Å; F457-A504 HydrophobicContact CE2-CB 4.43Å; F457-A507 HydrophobicContact CB-CB 4.05Å
458V96.9Very high96.4Very high14 Ų1419.6 Ų19.69%0.08510%0.104CC..Hα-helixtrans-60-43175169.20000111.1T365 L368 L369 L454 A455 L461 G462T365-V458 HydrophobicContact CG2-CG1 4.19Å; L368-V458 HydrophobicContact CB-CB 4.46Å; L368-V458 HydrophobicContact CB-CG1 3.55Å; L368-V458 HydrophobicContact CB-CG2 3.98Å; L368-V458 HydrophobicContact CD1-CG1 4.14Å; L369-V458 HydrophobicContact CD2-CB 4.17Å; L369-V458 HydrophobicContact CD2-CG1 4.04Å; L369-V458 HydrophobicContact CG-CG1 3.99Å; L454-V458 WeakPolarHBondContact O-CG2 3.17Å; L454-V458 PolarHBondContact O-N 3.07Å; A455-V458 PolarHBondContact O-N 3.28Å; V458-L461 PolarHBondContact O-N 2.96Å; V458-G462 PolarHBondContact O-N 3.11Å; V458-G462 VanDerWaalsContact O-N 3.11Å
459L95.8Very high96.5Very high76 Ų7618.1 Ų18.140%0.3989%0.092SC..Hα-helixtrans-64.1-43.4175.3-68.6175000112.2T365 L369 A455 N456 F457 L461 G462 Q463T365-L459 HydrophobicContact CG2-CD2 4.05Å; L369-L459 HydrophobicContact CD1-CD2 4.07Å; A455-L459 WeakPolarHBondContact O-CG 3.48Å; A455-L459 PolarHBondContact O-N 3.08Å; A455-L459 VanDerWaalsContact O-N 3.08Å; N456-L459 PolarHBondContact O-N 3.35Å; F457-L459 VanDerWaalsContact C-N 3.33Å; F457-L459 PolarHBondContact O-N 3.36Å; L459-L461 VanDerWaalsContact C-N 3.35Å; L459-G462 PolarHBondContact O-N 3.46Å; L459-Q463 WeakPolarHBondContact O-CG 3.27Å; L459-Q463 PolarHBondContact O-N 3.11Å
460A96.8Very high96.4Very high1 Ų116.1 Ų16.11%0.0088%0.084CC..Hα-helixtrans-61.9-42.2176.700000111.8N456 F457 G462 Q463 V464 L503 Y561N456-A460 WeakPolarHBondContact O-CB 3.4Å; N456-A460 PolarHBondContact O-N 2.92Å; F457-A460 PolarHBondContact O-N 2.82Å; A460-G462 VanDerWaalsContact C-N 3.27Å; A460-G462 PolarHBondContact O-N 2.85Å; A460-Q463 PolarHBondContact O-N 3.32Å; A460-Q463 VanDerWaalsContact O-N 3.16Å; A460-V464 WeakPolarHBondContact O-CG2 3.37Å; A460-V464 PolarHBondContact O-N 3.3Å; A460-L503 HydrophobicContact CB-CB 4.28Å; A460-L503 HydrophobicContact CB-CG 4.26Å; A460-Y561 HydrophobicContact CB-CD2 4.27Å; A460-Y561 HydrophobicContact CB-CE1 4.07Å; A460-Y561 HydrophobicContact CB-CE2 3.55Å; A460-Y561 VanDerWaalsContact CB-CZ 3.46Å
461L96.8Very high96.3Very high8 Ų816.1 Ų16.14%0.0428%0.084CC..Hα-helixtrans-58-41.9174.6-179.160.3000111.4F457 V458 L459 T465 F492 A495 L496 L503F457-L461 WeakPolarHBondContact O-CB 3.44Å; F457-L461 PolarHBondContact O-N 2.78Å; V458-L461 PolarHBondContact O-N 2.96Å; L459-L461 VanDerWaalsContact C-N 3.35Å; L461-T465 WeakPolarHBondContact O-CB 3.31Å; L461-T465 PolarHBondContact O-N 2.92Å; L461-T465 PolarHBondContact O-OG1 3.32Å; L461-F492 HydrophobicContact CD1-CD2 4.33Å; L461-F492 HydrophobicContact CD1-CE2 4.17Å; L461-F492 HydrophobicContact CD2-CE2 3.64Å; L461-F492 HydrophobicContact CD2-CZ 4.1Å; L461-F492 HydrophobicContact CG-CD2 4.35Å; L461-F492 HydrophobicContact CG-CE2 3.89Å; L461-A495 HydrophobicContact CD1-CB 3.83Å; L461-L496 HydrophobicContact CD1-CD2 3.83Å; L461-L496 HydrophobicContact CD1-CG 4.03Å; L461-L496 HydrophobicContact CD2-CD2 3.9Å; L461-L503 VanDerWaalsContact CA-CD2 3.47Å; L461-L503 HydrophobicContact CB-CD2 3.93Å; L461-L503 HydrophobicContact CD1-CD2 3.88Å
462G95.3Very high96.1Very high5 Ų514.5 Ų14.55%0.0528%0.077CC..Hα-helixtrans-63.5-44.4173.400000114.6Y361 V458 L459 A460 T465 L466Y361-G462 WeakPolarHBondContact OH-CA 3.47Å; V458-G462 PolarHBondContact O-N 3.11Å; V458-G462 VanDerWaalsContact O-N 3.11Å; L459-G462 PolarHBondContact O-N 3.46Å; A460-G462 VanDerWaalsContact C-N 3.27Å; A460-G462 PolarHBondContact O-N 2.85Å; G462-T465 PolarHBondContact O-N 3.15Å; G462-L466 WeakPolarHBondContact O-CB 3.3Å; G462-L466 WeakPolarHBondContact O-CG 3.41Å; G462-L466 PolarHBondContact O-N 3.34Å
463Q96.3Very high95.9Very high51 Ų5113.1 Ų13.124%0.2387%0.07CC..Hα-helixtrans-64.1-47-179.8-70.6178.5-23.500112L459 A460 A467 Y561 M660L459-Q463 WeakPolarHBondContact O-CG 3.27Å; L459-Q463 PolarHBondContact O-N 3.11Å; A460-Q463 PolarHBondContact O-N 3.32Å; A460-Q463 VanDerWaalsContact O-N 3.16Å; Q463-A467 WeakPolarHBondContact O-CB 3.33Å; Q463-A467 PolarHBondContact O-N 3.16Å; Q463-Y561 HydrophobicContact CB-CD2 4.14Å; Q463-M660 HydrophobicContact CB-CE 3.75Å; Q463-M660 HydrophobicContact CB-SD 4.44Å; Q463-M660 HydrophobicContact CG-CE 3.91Å; Q463-M660 HydrophobicContact CG-SD 3.92Å
464V96.6Very high95.6Very high5 Ų513.8 Ų13.83%0.037%0.073CC..Hα-helixtrans-66.4-39.6178.6175.90000111.5A460 G468 A495 L503 Y561 A565A460-V464 WeakPolarHBondContact O-CG2 3.37Å; A460-V464 PolarHBondContact O-N 3.3Å; V464-G468 PolarHBondContact O-N 3.27Å; V464-A495 HydrophobicContact CB-CB 4.47Å; V464-A495 HydrophobicContact CG1-CB 3.89Å; V464-L503 HydrophobicContact CB-CD1 4.42Å; V464-L503 HydrophobicContact CG1-CD1 4.41Å; V464-L503 HydrophobicContact CG2-CD1 3.91Å; V464-L503 HydrophobicContact CG2-CD2 4.49Å; V464-L503 HydrophobicContact CG2-CG 4.11Å; V464-Y561 VanDerWaalsContact CG2-CB 3.5Å; V464-Y561 HydrophobicContact CG2-CD1 3.85Å; V464-Y561 HydrophobicContact CG2-CG 3.79Å; V464-A565 HydrophobicContact CG1-CB 4.22Å
465T96.2Very high95.3Very high0 Ų013.4 Ų13.40%07%0.07CC..Hα-helixtrans-63.6-49.6178.8-62.80000111.7Y361 L461 G462 G468 A469 L488 A491 F492Y361-T465 HydrophobicContact CD2-CG2 4.22Å; Y361-T465 HydrophobicContact CE2-CG2 3.58Å; L461-T465 WeakPolarHBondContact O-CB 3.31Å; L461-T465 PolarHBondContact O-N 2.92Å; L461-T465 PolarHBondContact O-OG1 3.32Å; G462-T465 PolarHBondContact O-N 3.15Å; T465-G468 PolarHBondContact O-N 2.96Å; T465-A469 PolarHBondContact O-N 3.41Å; T465-A469 VanDerWaalsContact O-N 3.13Å; T465-L488 HydrophobicContact CG2-CD1 3.9Å; T465-L488 HydrophobicContact CG2-CG 4.42Å; T465-A491 HydrophobicContact CG2-CB 4.43Å; T465-A491 WeakPolarHBondContact O-CB 3.37Å; T465-F492 HydrophobicContact CG2-CB 3.71Å; T465-F492 HydrophobicContact CG2-CD2 4.15Å; T465-F492 HydrophobicContact CG2-CG 4.45Å
466L96.2Very high94.9Very high9 Ų913.1 Ų13.15%0.0477%0.067CC..Hα-helixtrans-64.3-46.9177.9-71173.7000111.1Y361 G462 G468 A469 F470 L488 V657 M660Y361-L466 HydrophobicContact CD1-CD1 4.26Å; Y361-L466 HydrophobicContact CD1-CD2 4.44Å; Y361-L466 HydrophobicContact CD1-CG 4.21Å; Y361-L466 HydrophobicContact CG-CD2 4.2Å; Y361-L466 HydrophobicContact CG-CG 4.42Å; G462-L466 WeakPolarHBondContact O-CB 3.3Å; G462-L466 WeakPolarHBondContact O-CG 3.41Å; G462-L466 PolarHBondContact O-N 3.34Å; L466-G468 VanDerWaalsContact C-N 3.29Å; L466-G468 PolarHBondContact O-N 2.95Å; L466-A469 PolarHBondContact O-N 3.41Å; L466-F470 HydrophobicContact CB-CD2 4.38Å; L466-F470 HydrophobicContact CB-CE2 4.1Å; L466-F470 HydrophobicContact CD2-CE2 4.24Å; L466-F470 WeakPolarHBondContact O-CD2 3.46Å; L466-F470 WeakPolarHBondContact O-CG 3.29Å; L466-F470 PolarHBondContact O-N 3.38Å; L466-L488 HydrophobicContact CD2-CD1 3.95Å; L466-V657 HydrophobicContact CD1-CG2 4.31Å; L466-V657 HydrophobicContact CD2-CG1 4.12Å; L466-M660 HydrophobicContact CB-CB 4.38Å; L466-M660 HydrophobicContact CD1-CB 4.31Å; L466-M660 HydrophobicContact CD1-CG 4.32Å
467A96.7Very high94.1Very high0 Ų017.7 Ų17.70%09%0.091CC..Hα-helixtrans-59.7-40.6177.300000111.7Q463 A469 F470 A471 I562 A565 T664Q463-A467 WeakPolarHBondContact O-CB 3.33Å; Q463-A467 PolarHBondContact O-N 3.16Å; A467-A469 VanDerWaalsContact C-N 3.35Å; A467-A469 PolarHBondContact O-N 2.94Å; A467-F470 PolarHBondContact O-N 2.95Å; A467-A471 WeakPolarHBondContact O-CB 3.27Å; A467-A471 PolarHBondContact O-N 3.43Å; A467-I562 HydrophobicContact CB-CB 4.37Å; A467-I562 HydrophobicContact CB-CG1 3.95Å; A467-A565 HydrophobicContact CB-CB 3.74Å; A467-T664 WeakPolarHBondContact CA-OG1 3.31Å; A467-T664 HydrophobicContact CB-CG2 4.3Å; A467-T664 WeakPolarHBondContact O-CG2 3.47Å
468G95.1Very high93.3Very high4 Ų425.1 Ų25.14%0.04112%0.118CC..Hα-helixtrans-64.3-38.8178.400000112.8V464 T465 L466 S472V464-G468 PolarHBondContact O-N 3.27Å; T465-G468 PolarHBondContact O-N 2.96Å; L466-G468 VanDerWaalsContact C-N 3.29Å; L466-G468 PolarHBondContact O-N 2.95Å; G468-S472 WeakPolarHBondContact O-CB 3.36Å; G468-S472 PolarHBondContact O-N 3.24Å; G468-S472 VanDerWaalsContact O-N 3.11Å; G468-S472 PolarHBondContact O-OG 3.47Å
469A94.8Very high92.7Very high0 Ų027.8 Ų27.80%013%0.129CC..Hα-helixtrans-68-46.9176.100000111.8V355 T465 L466 A467 S472 Y473 P487 A491V355-A469 HydrophobicContact CG1-CB 4.16Å; T465-A469 PolarHBondContact O-N 3.41Å; T465-A469 VanDerWaalsContact O-N 3.13Å; L466-A469 PolarHBondContact O-N 3.41Å; A467-A469 VanDerWaalsContact C-N 3.35Å; A467-A469 PolarHBondContact O-N 2.94Å; A469-S472 WeakPolarHBondContact O-CB 3.31Å; A469-S472 PolarHBondContact O-N 2.96Å; A469-Y473 PolarHBondContact O-N 3.31Å; A469-Y473 VanDerWaalsContact O-N 3.17Å; A469-P487 HydrophobicContact CB-CB 4.29Å; A469-A491 HydrophobicContact CB-CB 4.34Å
470F95.1Very high91.9Very high0 Ų027.8 Ų27.80%013%0.133CC..Hα-helixtrans-71.7-33.9-180-62.2-51.4000113.3A351 V352 V355 L466 A467 S472 Y473 Y474 V657 C661 T664A351-F470 HydrophobicContact CB-CD1 4.24Å; V352-F470 HydrophobicContact CG2-CE1 3.84Å; V352-F470 HydrophobicContact CG2-CZ 3.94Å; V355-F470 HydrophobicContact CB-CE1 4.4Å; L466-F470 HydrophobicContact CB-CD2 4.38Å; L466-F470 HydrophobicContact CB-CE2 4.1Å; L466-F470 HydrophobicContact CD2-CE2 4.24Å; L466-F470 WeakPolarHBondContact O-CD2 3.46Å; L466-F470 WeakPolarHBondContact O-CG 3.29Å; L466-F470 PolarHBondContact O-N 3.38Å; A467-F470 PolarHBondContact O-N 2.95Å; F470-S472 VanDerWaalsContact C-N 3.32Å; F470-Y473 WeakPolarHBondContact O-CB 3.04Å; F470-Y473 PolarHBondContact O-N 3.4Å; F470-Y474 PolarHBondContact O-N 3.38Å; F470-V657 HydrophobicContact CE2-CG1 4.3Å; F470-V657 HydrophobicContact CZ-CG1 3.98Å; F470-C661 HydrophobicContact CD1-CB 4.12Å; F470-C661 VanDerWaalsContact CD1-SG 3.54Å; F470-C661 VanDerWaalsContact CD2-CA 3.47Å; F470-C661 HydrophobicContact CD2-CB 3.65Å; F470-C661 HydrophobicContact CE1-CB 4.03Å; F470-C661 HydrophobicContact CE2-CB 3.54Å; F470-C661 HydrophobicContact CG-CB 3.95Å; F470-C661 HydrophobicContact CZ-CB 3.75Å; F470-T664 HydrophobicContact CB-CG2 3.97Å
471A94.2Very high91.1Very high0 Ų033.9 Ų33.90%017%0.166CC..Hα-helixtrans-63.9-39.6171.600000111P23 A467 Y473 Y474 W475 I566 T664P23-A471 HydrophobicContact CB-CB 4.31Å; P23-A471 HydrophobicContact CG-CB 4.13Å; A467-A471 WeakPolarHBondContact O-CB 3.27Å; A467-A471 PolarHBondContact O-N 3.43Å; A471-Y473 VanDerWaalsContact C-N 3.27Å; A471-Y473 PolarHBondContact O-N 3.32Å; A471-Y474 PolarHBondContact O-N 2.99Å; A471-Y474 VanDerWaalsContact O-N 3.17Å; A471-W475 VanDerWaalsContact O-CD1 3.27Å; A471-W475 PolarHBondContact O-N 2.92Å; A471-I566 HydrophobicContact CB-CG1 3.91Å; A471-T664 HydrophobicContact CB-CG2 4.05Å
472S92.5Very high90.4Very high4 Ų437.3 Ų37.33%0.02818%0.184CC..Hα-helixtrans-61.1-38.4175.3-55.60000111.3G468 A469 F470 A476G468-S472 WeakPolarHBondContact O-CB 3.36Å; G468-S472 PolarHBondContact O-N 3.24Å; G468-S472 VanDerWaalsContact O-N 3.11Å; G468-S472 PolarHBondContact O-OG 3.47Å; A469-S472 WeakPolarHBondContact O-CB 3.31Å; A469-S472 PolarHBondContact O-N 2.96Å; F470-S472 VanDerWaalsContact C-N 3.32Å; S472-A476 WeakPolarHBondContact O-CB 3.45Å; S472-A476 PolarHBondContact O-N 3.4Å
473Y92.4Very high89.8Confident16 Ų1638.3 Ų38.36%0.06319%0.188CC..Hα-helixtrans-65.4-44.1172.2168.9-92.9000112.8A351 Y354 A469 F470 A471 K479 L483 L665A351-Y473 HydrophobicContact CB-CD1 3.34Å; A351-Y473 HydrophobicContact CB-CD2 4.47Å; A351-Y473 HydrophobicContact CB-CE1 3.38Å; A351-Y473 HydrophobicContact CB-CG 3.91Å; Y354-Y473 HydrophobicContact CD2-CD2 4.02Å; Y354-Y473 AromaticContact CD2-CE2 3.31Å; Y354-Y473 HydrophobicContact CD2-CE2 3.31Å; Y354-Y473 AromaticContact CE2-CE2 3.81Å; Y354-Y473 HydrophobicContact CE2-CE2 3.81Å; Y354-Y473 HydrophobicContact CG-CD2 4.2Å; Y354-Y473 AromaticContact CG-CE2 3.94Å; Y354-Y473 HydrophobicContact CG-CE2 3.94Å; A469-Y473 PolarHBondContact O-N 3.31Å; A469-Y473 VanDerWaalsContact O-N 3.17Å; F470-Y473 WeakPolarHBondContact O-CB 3.04Å; F470-Y473 PolarHBondContact O-N 3.4Å; A471-Y473 VanDerWaalsContact C-N 3.27Å; A471-Y473 PolarHBondContact O-N 3.32Å; Y473-K479 HydrophobicContact CD2-CD 4.18Å; Y473-K479 HydrophobicContact CE2-CD 3.59Å; Y473-K479 VanDerWaalsContact CE2-CE 3.46Å; Y473-K479 HydrophobicContact CE2-CG 4.45Å; Y473-K479 WeakPolarHBondContact O-CE 3.38Å; Y473-K479 PolarHBondContact O-NZ 2.96Å; Y473-L483 HydrophobicContact CD2-CD2 4.24Å; Y473-L665 HydrophobicContact CD1-CD2 4.21Å
474Y91.8Very high89.1Confident16 Ų1637.4 Ų37.46%0.06319%0.186CC..Hα-helixtrans-62.3-50.8-176.7-173.7-85000111.8F470 A471 A476 L665 C668 F669 D672 F685 M686F470-Y474 PolarHBondContact O-N 3.38Å; A471-Y474 PolarHBondContact O-N 2.99Å; A471-Y474 VanDerWaalsContact O-N 3.17Å; Y474-A476 VanDerWaalsContact C-N 3.25Å; Y474-A476 PolarHBondContact O-N 3.3Å; Y474-L665 HydrophobicContact CD2-CB 4.35Å; Y474-L665 HydrophobicContact CD2-CD2 3.77Å; Y474-L665 HydrophobicContact CG-CD2 4.28Å; Y474-C668 HydrophobicContact CD1-CB 3.38Å; Y474-C668 HydrophobicContact CD2-CB 3.88Å; Y474-C668 HydrophobicContact CE1-CB 3.6Å; Y474-C668 HydrophobicContact CE2-CB 4.07Å; Y474-C668 HydrophobicContact CG-CB 3.54Å; Y474-F669 HydrophobicContact CE2-CB 4.3Å; Y474-F669 VanDerWaalsContact OH-CA 3.26Å; Y474-F669 WeakPolarHBondContact OH-CA 3.31Å; Y474-D672 HydrophobicContact CE1-CB 4.18Å; Y474-D672 WeakPolarHBondContact OH-CB 3.48Å; Y474-D672 PolarHBondContact OH-OD2 3.21Å; Y474-F685 HydrophobicContact CD1-CB 4.48Å; Y474-F685 HydrophobicContact CE1-CB 4.03Å; Y474-M686 WeakPolarHBondContact OH-CB 3.49Å
475W90.4Very high88.3Confident22 Ų2241.6 Ų41.68%0.08322%0.222CC..THydrogen-bonded Turntrans-80.31.9-174.4-66.6107.1000114.3F20 A471 C668 D672 F685F20-W475 HydrophobicContact CE1-CD2 4.08Å; F20-W475 HydrophobicContact CE1-CE3 4.23Å; F20-W475 HydrophobicContact CE1-CG 4.48Å; A471-W475 VanDerWaalsContact O-CD1 3.27Å; A471-W475 PolarHBondContact O-N 2.92Å; W475-C668 HydrophobicContact CZ2-CB 4.32Å; W475-C668 PolarHBondContact NE1-SG 2.82Å; W475-D672 HydrophobicContact CH2-CB 4.29Å; W475-F685 HydrophobicContact CE3-CB 4.31Å; W475-F685 HydrophobicContact CE3-CD1 4.04Å; W475-F685 AromaticContact CE3-CD2 3.9Å; W475-F685 HydrophobicContact CE3-CD2 3.9Å; W475-F685 HydrophobicContact CE3-CE1 4.31Å; W475-F685 HydrophobicContact CE3-CE2 4.22Å; W475-F685 AromaticContact CE3-CG 3.82Å; W475-F685 HydrophobicContact CE3-CG 3.82Å; W475-F685 HydrophobicContact CE3-CZ 4.41Å; W475-F685 HydrophobicContact CZ3-CB 4.47Å; W475-F685 AromaticContact CZ3-CD2 3.76Å; W475-F685 HydrophobicContact CZ3-CD2 3.76Å; W475-F685 HydrophobicContact CZ3-CE2 4.16Å; W475-F685 HydrophobicContact CZ3-CG 4.08Å; W475-F685 WeakPolarHBondContact O-CD1 3.47Å; W475-F685 VanDerWaalsContact O-CE1 3.28Å; W475-F685 WeakPolarHBondContact O-CE1 3.29Å
476A88Confident87.8Confident6 Ų648.3 Ų48.35%0.0525%0.251CS..  trans-80.9127.3172.100000111.4S472 Y474 K479 D482 L483S472-A476 WeakPolarHBondContact O-CB 3.45Å; S472-A476 PolarHBondContact O-N 3.4Å; Y474-A476 VanDerWaalsContact C-N 3.25Å; Y474-A476 PolarHBondContact O-N 3.3Å; A476-K479 HydrophobicContact CB-CG 4.27Å; A476-K479 PolarHBondContact O-NZ 2.98Å; A476-D482 HydrophobicContact CB-CB 3.92Å; A476-L483 HydrophobicContact CB-CD1 3.58Å
477L80.6Confident87.4Confident108 Ų10848.6 Ų48.657%0.56525%0.254SS*.SBendtrans-80.9-47177.1-73170.1000111.2D482 F685L477-D482 PolarHBondContact N-OD2 3.14Å; L477-F685 HydrophobicContact CD1-CE1 4.08Å; L477-F685 HydrophobicContact CD1-CZ 4.34Å; L477-F685 HydrophobicContact CD2-CD1 3.61Å; L477-F685 HydrophobicContact CD2-CE1 3.54Å; L477-F685 HydrophobicContact CD2-CG 4.28Å; L477-F685 HydrophobicContact CD2-CZ 4.11Å; L477-F685 HydrophobicContact CG-CD1 3.97Å; L477-F685 HydrophobicContact CG-CE1 3.5Å; L477-F685 HydrophobicContact CG-CZ 4.2Å
478R80.6Confident87.2Confident183 Ų18349.2 Ų49.269%0.69126%0.257SS*.SBendtrans-101.1115.5175.9-62.8-178-178.3179.21.7109.6D481 D482R478-D481 PolarHBondContact O-N 3Å; R478-D482 WeakPolarHBondContact CB-OD2 3.3Å; R478-D482 PolarHBondContact N-OD2 3.12Å; R478-D482 VanDerWaalsContact O-CB 3.32Å; R478-D482 WeakPolarHBondContact O-CB 3.44Å; R478-D482 PolarHBondContact O-N 3.4Å
479K84.5Confident86.9Confident69 Ų6955.7 Ų55.730%0.328%0.284SS..THydrogen-bonded Turntrans-110.7123.7179.6-61.3169.2168.176.70107.5Y473 A476 L483Y473-K479 HydrophobicContact CD2-CD 4.18Å; Y473-K479 HydrophobicContact CE2-CD 3.59Å; Y473-K479 VanDerWaalsContact CE2-CE 3.46Å; Y473-K479 HydrophobicContact CE2-CG 4.45Å; Y473-K479 WeakPolarHBondContact O-CE 3.38Å; Y473-K479 PolarHBondContact O-NZ 2.96Å; A476-K479 HydrophobicContact CB-CG 4.27Å; A476-K479 PolarHBondContact O-NZ 2.98Å; K479-L483 HydrophobicContact CB-CD1 4.46Å; K479-L483 HydrophobicContact CG-CD1 4.13Å
480P79.6Confident86.7Confident77 Ų7758 Ų5850%0.530%0.3SS..THydrogen-bonded Turncis-94.3-4.911.136.7-35000116.4Y354 D482 L483Y354-P480 HydrophobicContact CE1-CB 4.36Å; P480-D482 VanDerWaalsContact C-N 3.32Å; P480-D482 PolarHBondContact O-N 3.41Å; P480-L483 WeakPolarHBondContact O-CB 3.37Å; P480-L483 PolarHBondContact O-N 3.4Å
481D79.3Confident86.7Confident129 Ų12958.1 Ų58.169%0.6930%0.301SS*.THydrogen-bonded Turntrans-58.7-34.4-166.9-56-28.6000115.3R478 L483R478-D481 PolarHBondContact O-N 3Å; D481-L483 VanDerWaalsContact C-N 3.27Å; D481-L483 PolarHBondContact O-N 2.94Å
482D81.8Confident86.7Confident80 Ų8060.8 Ų60.843%0.42831%0.313SS..THydrogen-bonded Turntrans-83.80.1179.4-61.1-24.9000112.9A476 L477 R478 P480A476-D482 HydrophobicContact CB-CB 3.92Å; L477-D482 PolarHBondContact N-OD2 3.14Å; R478-D482 WeakPolarHBondContact CB-OD2 3.3Å; R478-D482 PolarHBondContact N-OD2 3.12Å; R478-D482 VanDerWaalsContact O-CB 3.32Å; R478-D482 WeakPolarHBondContact O-CB 3.44Å; R478-D482 PolarHBondContact O-N 3.4Å; P480-D482 VanDerWaalsContact C-N 3.32Å; P480-D482 PolarHBondContact O-N 3.41Å
483L84.2Confident86.7Confident26 Ų2662.3 Ų62.314%0.13633%0.329CS..SBendtrans-90.7141.4177.7-82.478.6000111.2Y473 A476 K479 P480 D481 P487Y473-L483 HydrophobicContact CD2-CD2 4.24Å; A476-L483 HydrophobicContact CB-CD1 3.58Å; K479-L483 HydrophobicContact CB-CD1 4.46Å; K479-L483 HydrophobicContact CG-CD1 4.13Å; P480-L483 WeakPolarHBondContact O-CB 3.37Å; P480-L483 PolarHBondContact O-N 3.4Å; D481-L483 VanDerWaalsContact C-N 3.27Å; D481-L483 PolarHBondContact O-N 2.94Å; L483-P487 HydrophobicContact CD2-CG 4.45Å
484P80.5Confident86.8Confident31 Ų3162.8 Ų62.820%0.20133%0.331CS..  trans-62.7145.1170.327.6-34.7000110.5I24 F486 P487I24-P484 HydrophobicContact CD1-CG 4.35Å; P484-F486 PolarHBondContact O-N 3.34Å; P484-F486 VanDerWaalsContact O-N 3.08Å; P484-P487 HydrophobicContact CG-CB 4.04Å; P484-P487 HydrophobicContact CG-CG 4.13Å; P484-P487 WeakPolarHBondContact O-CD 3.41Å; P484-P487 VanDerWaalsContact O-CG 3.26Å; P484-P487 WeakPolarHBondContact O-CG 3.29Å
485A80.7Confident86.9Confident93 Ų9362.1 Ų62.177%0.76933%0.329SS*.SBendtrans-53.4-35.1-177.600000113.8
486F85.8Confident87.1Confident142 Ų14264.4 Ų64.462%0.62334%0.342SS*.SBendtrans-128.182.8174.7-60.9-72.6000110.9P484 L488 F489 S490P484-F486 PolarHBondContact O-N 3.34Å; P484-F486 VanDerWaalsContact O-N 3.08Å; F486-L488 VanDerWaalsContact C-N 3.32Å; F486-L488 PolarHBondContact O-N 2.9Å; F486-F489 HydrophobicContact CB-CB 4.26Å; F486-F489 HydrophobicContact CB-CD2 4.15Å; F486-F489 PolarHBondContact O-N 3.27Å; F486-S490 VanDerWaalsContact O-CB 3.26Å; F486-S490 WeakPolarHBondContact O-CB 3.47Å; F486-S490 PolarHBondContact O-N 3.46Å
487P87.6Confident87.4Confident15 Ų1572.9 Ų72.910%0.09737%0.373CS..Hα-helixtrans-60.8-38.1-172.2-2231.5000113.9V355 A469 L483 P484 A491V355-P487 HydrophobicContact CG1-CB 4.22Å; V355-P487 HydrophobicContact CG2-CB 4.29Å; V355-P487 HydrophobicContact CG2-CG 4.32Å; A469-P487 HydrophobicContact CB-CB 4.29Å; L483-P487 HydrophobicContact CD2-CG 4.45Å; P484-P487 HydrophobicContact CG-CB 4.04Å; P484-P487 HydrophobicContact CG-CG 4.13Å; P484-P487 WeakPolarHBondContact O-CD 3.41Å; P484-P487 VanDerWaalsContact O-CG 3.26Å; P484-P487 WeakPolarHBondContact O-CG 3.29Å; P487-A491 WeakPolarHBondContact O-CB 3.43Å; P487-A491 PolarHBondContact O-N 3.1Å
488L91.1Very high88Confident13 Ų1370.8 Ų70.87%0.06836%0.358CS..Hα-helixtrans-68.4-52-178.5-171.272.6000112V355 C357 Y361 T465 L466 F486 S490 A491 F492V355-L488 HydrophobicContact CG1-CB 4.39Å; C357-L488 HydrophobicContact CB-CD2 4.02Å; C357-L488 WeakPolarHBondContact O-CD2 3.22Å; Y361-L488 HydrophobicContact CD2-CD1 3.93Å; Y361-L488 HydrophobicContact CD2-CD2 4.05Å; Y361-L488 HydrophobicContact CD2-CG 4.17Å; Y361-L488 HydrophobicContact CG-CD1 4.46Å; T465-L488 HydrophobicContact CG2-CD1 3.9Å; T465-L488 HydrophobicContact CG2-CG 4.42Å; L466-L488 HydrophobicContact CD2-CD1 3.95Å; F486-L488 VanDerWaalsContact C-N 3.32Å; F486-L488 PolarHBondContact O-N 2.9Å; L488-S490 VanDerWaalsContact C-N 3.34Å; L488-S490 PolarHBondContact O-N 3.1Å; L488-A491 PolarHBondContact O-N 3.25Å; L488-F492 WeakPolarHBondContact O-CB 3.39Å; L488-F492 PolarHBondContact O-N 3.27Å
489F90.6Very high88.7Confident140 Ų14062.2 Ų62.261%0.61433%0.326SS*.Hα-helixtrans-65.3-39.1179.9-70-75.3000111.9F486 F492 G493F486-F489 HydrophobicContact CB-CB 4.26Å; F486-F489 HydrophobicContact CB-CD2 4.15Å; F486-F489 PolarHBondContact O-N 3.27Å; F489-F492 PolarHBondContact O-N 3.44Å; F489-G493 PolarHBondContact O-N 3.07Å
490S90.5Very high89.3Confident47 Ų4760 Ų6033%0.32932%0.318SS..Hα-helixtrans-63.4-43.4174.7-1720000111.6F486 L488 G493 R494F486-S490 VanDerWaalsContact O-CB 3.26Å; F486-S490 WeakPolarHBondContact O-CB 3.47Å; F486-S490 PolarHBondContact O-N 3.46Å; L488-S490 VanDerWaalsContact C-N 3.34Å; L488-S490 PolarHBondContact O-N 3.1Å; S490-G493 PolarHBondContact O-N 2.84Å; S490-R494 WeakPolarHBondContact O-CG 3.48Å; S490-R494 PolarHBondContact O-N 3.29Å; S490-R494 PolarHBondContact O-NH1 3.49Å; S490-R494 PolarHBondContact OG-NH1 2.92Å
491A93.7Very high90Very high4 Ų456.5 Ų56.53%0.03330%0.295CS..Hα-helixtrans-65-40.8175.600000112.4T465 A469 P487 L488 R494 A495T465-A491 HydrophobicContact CG2-CB 4.43Å; T465-A491 WeakPolarHBondContact O-CB 3.37Å; A469-A491 HydrophobicContact CB-CB 4.34Å; P487-A491 WeakPolarHBondContact O-CB 3.43Å; P487-A491 PolarHBondContact O-N 3.1Å; L488-A491 PolarHBondContact O-N 3.25Å; A491-R494 PolarHBondContact O-N 2.61Å; A491-A495 WeakPolarHBondContact O-CB 3.44Å; A491-A495 PolarHBondContact O-N 2.93Å
492F94.5Very high90.9Very high56 Ų5650.3 Ų50.325%0.24626%0.263CS..Hα-helixtrans-60.1-47.8175.5-176.7-98000111.6Y361 L461 T465 L488 F489 R494 A495 L496Y361-F492 HydrophobicContact CE2-CD2 4.08Å; L461-F492 HydrophobicContact CD1-CD2 4.33Å; L461-F492 HydrophobicContact CD1-CE2 4.17Å; L461-F492 HydrophobicContact CD2-CE2 3.64Å; L461-F492 HydrophobicContact CD2-CZ 4.1Å; L461-F492 HydrophobicContact CG-CD2 4.35Å; L461-F492 HydrophobicContact CG-CE2 3.89Å; T465-F492 HydrophobicContact CG2-CB 3.71Å; T465-F492 HydrophobicContact CG2-CD2 4.15Å; T465-F492 HydrophobicContact CG2-CG 4.45Å; L488-F492 WeakPolarHBondContact O-CB 3.39Å; L488-F492 PolarHBondContact O-N 3.27Å; F489-F492 PolarHBondContact O-N 3.44Å; F492-R494 VanDerWaalsContact C-N 3.34Å; F492-R494 PolarHBondContact O-N 3.06Å; F492-A495 WeakPolarHBondContact O-CB 3.43Å; F492-A495 PolarHBondContact O-N 3.31Å; F492-L496 HydrophobicContact CD1-CD1 4Å; F492-L496 HydrophobicContact CE1-CD1 3.32Å; F492-L496 HydrophobicContact CE1-CG 4.25Å; F492-L496 HydrophobicContact CE2-CD1 4.47Å; F492-L496 HydrophobicContact CZ-CD1 3.61Å; F492-L496 HydrophobicContact CZ-CG 4.32Å; F492-L496 PolarHBondContact O-N 2.97Å
493G92.8Very high91.6Very high36 Ų3646.5 Ų46.537%0.37124%0.242SC..Hα-helixtrans-60.6-40.8176.100000112.7F489 S490 R497F489-G493 PolarHBondContact O-N 3.07Å; S490-G493 PolarHBondContact O-N 2.84Å; G493-R497 WeakPolarHBondContact O-CB 3.27Å; G493-R497 PolarHBondContact O-N 3.32Å
494R93.5Very high92.2Very high26 Ų2645.3 Ų45.310%0.09824%0.236CC..Hα-helixtrans-64.4-41.8174-70.9-169.7-55-90.69.7112.1S490 A491 F492 Y498S490-R494 WeakPolarHBondContact O-CG 3.48Å; S490-R494 PolarHBondContact O-N 3.29Å; S490-R494 PolarHBondContact O-NH1 3.49Å; S490-R494 PolarHBondContact OG-NH1 2.92Å; A491-R494 PolarHBondContact O-N 2.61Å; F492-R494 VanDerWaalsContact C-N 3.34Å; F492-R494 PolarHBondContact O-N 3.06Å; R494-Y498 HydrophobicContact CB-CD2 4.33Å; R494-Y498 HydrophobicContact CG-CD2 4.47Å; R494-Y498 WeakPolarHBondContact O-CB 3.45Å; R494-Y498 PolarHBondContact O-N 3.21Å
495A94.9Very high93Very high1 Ų146.5 Ų46.51%0.00824%0.238CC..Iπ-helixtrans-60.8-47.3178.900000111.5L461 V464 A491 F492 H499 T500L461-A495 HydrophobicContact CD1-CB 3.83Å; V464-A495 HydrophobicContact CB-CB 4.47Å; V464-A495 HydrophobicContact CG1-CB 3.89Å; A491-A495 WeakPolarHBondContact O-CB 3.44Å; A491-A495 PolarHBondContact O-N 2.93Å; F492-A495 WeakPolarHBondContact O-CB 3.43Å; F492-A495 PolarHBondContact O-N 3.31Å; A495-H499 CarbonylContact O-C 3.49Å; A495-H499 WeakPolarHBondContact O-CA 3.48Å; A495-H499 PolarHBondContact O-N 3.33Å; A495-T500 PolarHBondContact O-N 2.89Å; A495-T500 VanDerWaalsContact O-N 3.15Å
496L94.2Very high93.8Very high71 Ų7142 Ų4237%0.37220%0.201SC..Iπ-helixtrans-69.4-43.8177.5-73.2179.5000113.1L461 F492 T500L461-L496 HydrophobicContact CD1-CD2 3.83Å; L461-L496 HydrophobicContact CD1-CG 4.03Å; L461-L496 HydrophobicContact CD2-CD2 3.9Å; F492-L496 HydrophobicContact CD1-CD1 4Å; F492-L496 HydrophobicContact CE1-CD1 3.32Å; F492-L496 HydrophobicContact CE1-CG 4.25Å; F492-L496 HydrophobicContact CE2-CD1 4.47Å; F492-L496 HydrophobicContact CZ-CD1 3.61Å; F492-L496 HydrophobicContact CZ-CG 4.32Å; F492-L496 PolarHBondContact O-N 2.97Å; L496-T500 WeakPolarHBondContact CA-OG1 3.29Å; L496-T500 PolarHBondContact O-OG1 3.07Å
497R94Very high94.3Very high184 Ų18435.3 Ų35.369%0.69417%0.172SC*.Iπ-helixtrans-70.8-41.9-174.7-176.8170.9179.9157.90.5113G493G493-R497 WeakPolarHBondContact O-CB 3.27Å; G493-R497 PolarHBondContact O-N 3.32Å
498Y93.6Very high94.8Very high63 Ų6335.9 Ų35.925%0.24717%0.174CC..Iπ-helixtrans-109.1-31.8-170.4-61.4-66000113.3R27 C29 T30 R494R27-Y498 HydrophobicContact CB-CD1 4.31Å; R27-Y498 HydrophobicContact CB-CD2 3.76Å; R27-Y498 HydrophobicContact CB-CE1 4.47Å; R27-Y498 HydrophobicContact CB-CE2 3.94Å; R27-Y498 HydrophobicContact CB-CG 3.96Å; R27-Y498 HydrophobicContact CG-CD2 4.41Å; C29-Y498 CarbonylContact C-O 3.18Å; C29-Y498 VanDerWaalsContact CA-O 3.29Å; C29-Y498 WeakPolarHBondContact CA-O 3.46Å; T30-Y498 PolarHBondContact N-O 3.26Å; T30-Y498 PolarHBondContact OG1-O 3.36Å; R494-Y498 HydrophobicContact CB-CD2 4.33Å; R494-Y498 HydrophobicContact CG-CD2 4.47Å; R494-Y498 WeakPolarHBondContact O-CB 3.45Å; R494-Y498 PolarHBondContact O-N 3.21Å
499H95.6Very high95Very high4 Ų437.7 Ų37.72%0.01918%0.183CC..Iπ-helixtrans-113.30.1-164.7-58.3-49.4000115.2T30 A495 G501 S502 L503 I564 G568T30-H499 WeakPolarHBondContact OG1-CA 3.18Å; T30-H499 PolarHBondContact OG1-ND1 3.5Å; A495-H499 CarbonylContact O-C 3.49Å; A495-H499 WeakPolarHBondContact O-CA 3.48Å; A495-H499 PolarHBondContact O-N 3.33Å; H499-G501 PolarHBondContact O-N 3.18Å; H499-S502 PolarHBondContact O-N 3.19Å; H499-L503 HydrophobicContact CB-CD1 3.6Å; H499-L503 WeakPolarHBondContact O-CD1 3.41Å; H499-L503 PolarHBondContact O-N 3.41Å; H499-L503 VanDerWaalsContact O-N 3.08Å; H499-I564 HydrophobicContact CB-CG2 3.96Å; H499-G568 WeakPolarHBondContact CE1-CA 3.41Å; H499-G568 PolarHBondContact CE1-O 2.95Å
500T96.1Very high95.2Very high23 Ų2331.5 Ų31.514%0.14116%0.156CC..Hα-helixtrans-46.6-39.9179.9-67.70000113.3L38 F457 A495 L496 L503 A504L38-T500 HydrophobicContact CD2-CG2 4.38Å; F457-T500 HydrophobicContact CE2-CG2 3.97Å; F457-T500 HydrophobicContact CZ-CG2 3.93Å; A495-T500 PolarHBondContact O-N 2.89Å; A495-T500 VanDerWaalsContact O-N 3.15Å; L496-T500 WeakPolarHBondContact CA-OG1 3.29Å; L496-T500 PolarHBondContact O-OG1 3.07Å; T500-L503 PolarHBondContact O-N 2.92Å; T500-A504 VanDerWaalsContact O-CB 3.25Å; T500-A504 WeakPolarHBondContact O-CB 3.45Å; T500-A504 PolarHBondContact O-N 3.01Å
501G95.8Very high95.5Very high2 Ų229.3 Ų29.32%0.02114%0.141CC..Hα-helixtrans-61.9-45.4176.400000113.8T30 D31 C34 H499 A504 F505T30-G501 WeakPolarHBondContact O-CA 3.34Å; D31-G501 VanDerWaalsContact O-CA 3.32Å; D31-G501 WeakPolarHBondContact O-CA 3.23Å; C34-G501 WeakPolarHBondContact CB-O 3.31Å; H499-G501 PolarHBondContact O-N 3.18Å; G501-A504 WeakPolarHBondContact O-CB 3.06Å; G501-A504 PolarHBondContact O-N 3.26Å; G501-F505 WeakPolarHBondContact O-CB 3.41Å; G501-F505 PolarHBondContact O-N 2.86Å
502S97.1Very high95.6Very high0 Ų032.9 Ų32.90%016%0.158CC..Hα-helixtrans-67.6-38.4179.4-56.30000111.9T30 D31 H499 F505 G506T30-S502 WeakPolarHBondContact CB-OG 3.29Å; T30-S502 PolarHBondContact OG1-OG 3.31Å; D31-S502 WeakPolarHBondContact OD2-CA 3.2Å; D31-S502 VanDerWaalsContact OD2-CB 3.28Å; D31-S502 WeakPolarHBondContact OD2-CB 3.42Å; D31-S502 PolarHBondContact OD2-OG 3.28Å; H499-S502 PolarHBondContact O-N 3.19Å; S502-F505 PolarHBondContact O-N 3.24Å; S502-G506 PolarHBondContact O-N 3Å
503L97.2Very high95.6Very high0 Ų030.7 Ų30.70%015%0.15CC..Hα-helixtrans-64.1-44.5174.4-7970.7000110.3F457 A460 L461 V464 H499 T500 A507F457-L503 HydrophobicContact CD2-CB 4.01Å; F457-L503 HydrophobicContact CE2-CB 3.76Å; A460-L503 HydrophobicContact CB-CB 4.28Å; A460-L503 HydrophobicContact CB-CG 4.26Å; L461-L503 VanDerWaalsContact CA-CD2 3.47Å; L461-L503 HydrophobicContact CB-CD2 3.93Å; L461-L503 HydrophobicContact CD1-CD2 3.88Å; V464-L503 HydrophobicContact CB-CD1 4.42Å; V464-L503 HydrophobicContact CG1-CD1 4.41Å; V464-L503 HydrophobicContact CG2-CD1 3.91Å; V464-L503 HydrophobicContact CG2-CD2 4.49Å; V464-L503 HydrophobicContact CG2-CG 4.11Å; H499-L503 HydrophobicContact CB-CD1 3.6Å; H499-L503 WeakPolarHBondContact O-CD1 3.41Å; H499-L503 PolarHBondContact O-N 3.41Å; H499-L503 VanDerWaalsContact O-N 3.08Å; T500-L503 PolarHBondContact O-N 2.92Å; L503-A507 WeakPolarHBondContact O-CB 3.2Å; L503-A507 PolarHBondContact O-N 3.2Å
504A97.2Very high95.7Very high0 Ų030 Ų300%014%0.137CC..Hα-helixtrans-61.6-42.9177.400000112L38 W453 F457 T500 G501 A507 L508L38-A504 HydrophobicContact CB-CB 3.97Å; L38-A504 HydrophobicContact CD2-CB 3.7Å; L38-A504 HydrophobicContact CG-CB 4.32Å; W453-A504 PolarHBondContact NE1-O 2.88Å; F457-A504 HydrophobicContact CD2-CB 4.32Å; F457-A504 HydrophobicContact CE2-CB 4.43Å; T500-A504 VanDerWaalsContact O-CB 3.25Å; T500-A504 WeakPolarHBondContact O-CB 3.45Å; T500-A504 PolarHBondContact O-N 3.01Å; G501-A504 WeakPolarHBondContact O-CB 3.06Å; G501-A504 PolarHBondContact O-N 3.26Å; A504-A507 PolarHBondContact O-N 2.89Å; A504-L508 VanDerWaalsContact O-CB 3.27Å; A504-L508 WeakPolarHBondContact O-CB 3.33Å; A504-L508 PolarHBondContact O-N 2.98Å
505F97.4Very high95.6Very high56 Ų5629.9 Ų29.925%0.24614%0.138CC..Hα-helixtrans-66.1-48.4179.5-175.1-115000112.3C34 G501 S502 A507 L508 I509 F571C34-F505 HydrophobicContact CB-CB 4.05Å; C34-F505 VanDerWaalsContact SG-CD2 3.51Å; G501-F505 WeakPolarHBondContact O-CB 3.41Å; G501-F505 PolarHBondContact O-N 2.86Å; S502-F505 PolarHBondContact O-N 3.24Å; F505-A507 VanDerWaalsContact C-N 3.31Å; F505-A507 PolarHBondContact O-N 2.94Å; F505-L508 WeakPolarHBondContact O-CB 3.43Å; F505-L508 PolarHBondContact O-N 3.14Å; F505-I509 HydrophobicContact CD1-CD1 4.13Å; F505-I509 HydrophobicContact CE1-CD1 3.7Å; F505-I509 HydrophobicContact CE2-CD1 4.42Å; F505-I509 HydrophobicContact CZ-CD1 3.86Å; F505-I509 HydrophobicContact CZ-CG1 4.47Å; F505-I509 WeakPolarHBondContact O-CG1 3.36Å; F505-I509 PolarHBondContact O-N 3.03Å; F505-I509 VanDerWaalsContact O-N 3.13Å; F505-F571 HydrophobicContact CD1-CB 3.85Å; F505-F571 AromaticContact CD1-CD1 3.4Å; F505-F571 HydrophobicContact CD1-CD1 3.4Å; F505-F571 VanDerWaalsContact CD1-CD1 3.4Å; F505-F571 HydrophobicContact CD1-CE1 4.14Å; F505-F571 AromaticContact CD1-CG 3.75Å; F505-F571 HydrophobicContact CD1-CG 3.75Å; F505-F571 AromaticContact CE1-CD1 3.62Å; F505-F571 HydrophobicContact CE1-CD1 3.62Å; F505-F571 HydrophobicContact CE1-CE1 4.18Å; F505-F571 HydrophobicContact CE1-CG 4.4Å
506G96.2Very high95.4Very high0 Ų032.7 Ų32.70%015%0.152CC..Hα-helixtrans-61.7-39.5175.700000112.5S502 L510 N557 Y561S502-G506 PolarHBondContact O-N 3Å; G506-L510 PolarHBondContact O-N 3.38Å; G506-N557 PolarHBondContact O-ND2 3.5Å; G506-Y561 VanDerWaalsContact C-OH 3.28Å; G506-Y561 WeakPolarHBondContact CA-OH 2.96Å
507A97.3Very high95.3Very high0 Ų033.9 Ų33.90%015%0.152CC..Hα-helixtrans-66.2-36.3174.800000112.9N456 F457 L503 A504 F505 L510 A511 Y561N456-A507 HydrophobicContact CB-CB 3.81Å; F457-A507 HydrophobicContact CB-CB 4.05Å; L503-A507 WeakPolarHBondContact O-CB 3.2Å; L503-A507 PolarHBondContact O-N 3.2Å; A504-A507 PolarHBondContact O-N 2.89Å; F505-A507 VanDerWaalsContact C-N 3.31Å; F505-A507 PolarHBondContact O-N 2.94Å; A507-L510 PolarHBondContact O-N 2.82Å; A507-A511 WeakPolarHBondContact O-CB 3.44Å; A507-A511 PolarHBondContact O-N 3.4Å; A507-Y561 PolarHBondContact N-OH 2.89Å
508L97Very high95Very high28 Ų2828.8 Ų28.815%0.14714%0.141CC..Hα-helixtrans-63.6-48.4177.9177.360.5000111.2F37 F449 W453 A504 F505 L510 A511 I512F37-L508 HydrophobicContact CE1-CD2 4.37Å; F449-L508 HydrophobicContact CE2-CD1 4.09Å; F449-L508 HydrophobicContact CZ-CD1 3.52Å; W453-L508 HydrophobicContact CD2-CD1 3.98Å; W453-L508 HydrophobicContact CE3-CD1 4.21Å; W453-L508 HydrophobicContact CH2-CD1 4.35Å; W453-L508 HydrophobicContact CZ2-CB 4.15Å; W453-L508 HydrophobicContact CZ2-CD1 4.07Å; W453-L508 HydrophobicContact CZ2-CD2 4.31Å; W453-L508 HydrophobicContact CZ2-CG 4.41Å; W453-L508 HydrophobicContact CZ3-CD1 4.38Å; A504-L508 VanDerWaalsContact O-CB 3.27Å; A504-L508 WeakPolarHBondContact O-CB 3.33Å; A504-L508 PolarHBondContact O-N 2.98Å; F505-L508 WeakPolarHBondContact O-CB 3.43Å; F505-L508 PolarHBondContact O-N 3.14Å; L508-L510 VanDerWaalsContact C-N 3.27Å; L508-L510 PolarHBondContact O-N 2.87Å; L508-A511 PolarHBondContact O-N 3.47Å; L508-I512 HydrophobicContact CD1-CD1 4.1Å; L508-I512 HydrophobicContact CD1-CG1 4.33Å; L508-I512 HydrophobicContact CG-CD1 4.09Å; L508-I512 WeakPolarHBondContact O-CG1 3.31Å; L508-I512 PolarHBondContact O-N 2.85Å
509I96Very high94.7Very high50 Ų5029.6 Ų29.626%0.25615%0.149SC..Hα-helixtrans-56.8-45.8177.8-63.7168.5000110F505 I512 V513 I553 F571F505-I509 HydrophobicContact CD1-CD1 4.13Å; F505-I509 HydrophobicContact CE1-CD1 3.7Å; F505-I509 HydrophobicContact CE2-CD1 4.42Å; F505-I509 HydrophobicContact CZ-CD1 3.86Å; F505-I509 HydrophobicContact CZ-CG1 4.47Å; F505-I509 WeakPolarHBondContact O-CG1 3.36Å; F505-I509 PolarHBondContact O-N 3.03Å; F505-I509 VanDerWaalsContact O-N 3.13Å; I509-I512 PolarHBondContact O-N 3.44Å; I509-V513 WeakPolarHBondContact O-CG2 3.18Å; I509-V513 PolarHBondContact O-N 2.79Å; I509-I553 HydrophobicContact CG2-CD1 4.17Å; I509-I553 HydrophobicContact CG2-CG1 4.48Å; I509-I553 HydrophobicContact CG2-CG2 3.96Å; I509-F571 HydrophobicContact CD1-CE1 4Å
510L95.4Very high94.3Very high11 Ų1130.1 Ų30.16%0.05815%0.151CC..Hα-helixtrans-67.6-39.1-179.8-174.355.6000112.3N456 G506 A507 L508 V513 Q514 E550 I553 K554N456-L510 HydrophobicContact CB-CD2 4.43Å; N456-L510 WeakPolarHBondContact OD1-CD2 3.06Å; G506-L510 PolarHBondContact O-N 3.38Å; A507-L510 PolarHBondContact O-N 2.82Å; L508-L510 VanDerWaalsContact C-N 3.27Å; L508-L510 PolarHBondContact O-N 2.87Å; L510-V513 PolarHBondContact O-N 2.9Å; L510-Q514 HydrophobicContact CD1-CG 4.48Å; L510-Q514 WeakPolarHBondContact O-CG 3.26Å; L510-Q514 PolarHBondContact O-N 3.1Å; L510-E550 HydrophobicContact CD1-CG 3.94Å; L510-I553 HydrophobicContact CB-CG2 4.19Å; L510-I553 HydrophobicContact CD1-CB 4.46Å; L510-I553 HydrophobicContact CD1-CG2 4.04Å; L510-K554 HydrophobicContact CD1-CD 4.48Å; L510-K554 HydrophobicContact CD1-CG 3.79Å; L510-K554 HydrophobicContact CD2-CG 3.8Å; L510-K554 HydrophobicContact CG-CG 4.49Å
511A96.3Very high93.8Very high0 Ų032.9 Ų32.90%016%0.163CC..Hα-helixtrans-63.7-40.8177.700000112.7F452 W453 A507 L508 Q514 I515F452-A511 HydrophobicContact CB-CB 3.99Å; W453-A511 HydrophobicContact CB-CB 3.91Å; W453-A511 HydrophobicContact CG-CB 4.43Å; A507-A511 WeakPolarHBondContact O-CB 3.44Å; A507-A511 PolarHBondContact O-N 3.4Å; L508-A511 PolarHBondContact O-N 3.47Å; A511-Q514 PolarHBondContact O-N 3.39Å; A511-I515 PolarHBondContact O-N 2.94Å
512I95.3Very high93.1Very high79 Ų7938.1 Ų38.141%0.40518%0.183SC..Hα-helixtrans-59.6-49.1176-68.3165.9000110.4F449 L508 I509 Q514 I515 I516F449-I512 HydrophobicContact CE2-CG1 4.13Å; L508-I512 HydrophobicContact CD1-CD1 4.1Å; L508-I512 HydrophobicContact CD1-CG1 4.33Å; L508-I512 HydrophobicContact CG-CD1 4.09Å; L508-I512 WeakPolarHBondContact O-CG1 3.31Å; L508-I512 PolarHBondContact O-N 2.85Å; I509-I512 PolarHBondContact O-N 3.44Å; I512-Q514 VanDerWaalsContact C-N 3.31Å; I512-Q514 PolarHBondContact O-N 3.24Å; I512-I515 PolarHBondContact O-N 2.86Å; I512-I516 HydrophobicContact CG2-CD1 3.96Å; I512-I516 WeakPolarHBondContact O-CG1 3.4Å; I512-I516 PolarHBondContact O-N 2.86Å
513V94.8Very high92.4Very high10 Ų1041.6 Ų41.66%0.06120%0.201CC..Hα-helixtrans-61.3-40.7178.6174.60000111.3I509 L510 I516 R517 F546 L549 E550I509-V513 WeakPolarHBondContact O-CG2 3.18Å; I509-V513 PolarHBondContact O-N 2.79Å; L510-V513 PolarHBondContact O-N 2.9Å; V513-I516 PolarHBondContact O-N 3.13Å; V513-R517 PolarHBondContact O-N 2.77Å; V513-F546 HydrophobicContact CG1-CD1 4.27Å; V513-L549 HydrophobicContact CG1-CB 4.48Å; V513-L549 HydrophobicContact CG1-CD2 4.28Å; V513-L549 HydrophobicContact CG1-CG 4.21Å; V513-L549 HydrophobicContact CG2-CD2 3.93Å; V513-L549 HydrophobicContact CG2-CG 4.2Å; V513-E550 HydrophobicContact CG1-CB 3.86Å; V513-E550 HydrophobicContact CG1-CG 4.43Å
514Q94.3Very high91.6Very high22 Ų2243 Ų4310%0.10321%0.208CC..Hα-helixtrans-65.5-40.5178.6-76.4-179.6-30.600112.8F452 N456 L510 A511 I512 R517 V518 E550F452-Q514 HydrophobicContact CD1-CB 4.03Å; F452-Q514 VanDerWaalsContact CD1-OE1 3.28Å; F452-Q514 HydrophobicContact CE1-CB 4.31Å; F452-Q514 HydrophobicContact CG-CB 4.29Å; N456-Q514 PolarHBondContact ND2-OE1 2.67Å; L510-Q514 HydrophobicContact CD1-CG 4.48Å; L510-Q514 WeakPolarHBondContact O-CG 3.26Å; L510-Q514 PolarHBondContact O-N 3.1Å; A511-Q514 PolarHBondContact O-N 3.39Å; I512-Q514 VanDerWaalsContact C-N 3.31Å; I512-Q514 PolarHBondContact O-N 3.24Å; Q514-R517 WeakPolarHBondContact O-CB 3.28Å; Q514-R517 PolarHBondContact O-N 3.42Å; Q514-V518 WeakPolarHBondContact O-CG2 3.35Å; Q514-V518 PolarHBondContact O-N 3.39Å; Q514-E550 HydrophobicContact CG-CG 4.25Å; Q514-E550 PolarHBondContact NE2-OE1 3.08Å
515I92.1Very high90.5Very high24 Ų2448.7 Ų48.712%0.12324%0.235CC..Hα-helixtrans-66.6-43.5176.3-75176000111.7F449 F452 A511 I512 R517 V518 I519F449-I515 HydrophobicContact CB-CD1 3.27Å; F449-I515 HydrophobicContact CD2-CD1 3.33Å; F449-I515 HydrophobicContact CG-CD1 3.73Å; F452-I515 HydrophobicContact CD2-CD1 4.37Å; F452-I515 HydrophobicContact CD2-CG1 3.72Å; F452-I515 HydrophobicContact CE2-CG1 4.25Å; A511-I515 PolarHBondContact O-N 2.94Å; I512-I515 PolarHBondContact O-N 2.86Å; I515-R517 PolarHBondContact O-N 2.74Å; I515-V518 PolarHBondContact O-N 2.91Å; I515-V518 VanDerWaalsContact O-N 3.07Å; I515-I519 HydrophobicContact CG2-CD1 3.56Å; I515-I519 HydrophobicContact CG2-CG1 4.09Å; I515-I519 WeakPolarHBondContact O-CG1 3.35Å; I515-I519 PolarHBondContact O-N 3.38Å
516I91.6Very high89.3Confident60 Ų6049.8 Ų49.831%0.30824%0.238SC..Hα-helixtrans-57.8-42.3176.7-64.4164.8000109.5I512 V513 V518 I519 L520 F546I512-I516 HydrophobicContact CG2-CD1 3.96Å; I512-I516 WeakPolarHBondContact O-CG1 3.4Å; I512-I516 PolarHBondContact O-N 2.86Å; V513-I516 PolarHBondContact O-N 3.13Å; I516-V518 PolarHBondContact O-N 2.63Å; I516-I519 PolarHBondContact O-N 3.03Å; I516-L520 HydrophobicContact CG2-CD1 4.03Å; I516-L520 HydrophobicContact CG2-CG 4.29Å; I516-L520 WeakPolarHBondContact O-CB 3.45Å; I516-L520 VanDerWaalsContact O-CG 3.26Å; I516-L520 WeakPolarHBondContact O-CG 3.36Å; I516-L520 PolarHBondContact O-N 3.47Å; I516-F546 HydrophobicContact CB-CD1 4.02Å; I516-F546 HydrophobicContact CB-CE1 3.81Å; I516-F546 HydrophobicContact CB-CZ 4.4Å; I516-F546 HydrophobicContact CD1-CE1 3.7Å; I516-F546 HydrophobicContact CD1-CZ 4.2Å; I516-F546 HydrophobicContact CG1-CE1 4.35Å; I516-F546 HydrophobicContact CG2-CD1 3.67Å; I516-F546 HydrophobicContact CG2-CD2 4.2Å; I516-F546 HydrophobicContact CG2-CE1 3.37Å; I516-F546 HydrophobicContact CG2-CE2 3.93Å; I516-F546 HydrophobicContact CG2-CG 4.09Å; I516-F546 HydrophobicContact CG2-CZ 3.51Å
517R91.1Very high88.1Confident96 Ų9652.7 Ų52.736%0.36225%0.253SS..Hα-helixtrans-60.8-43.6174.8-175.2-178.9171-156-9.3112.8V513 Q514 I515 L520 E521 E550V513-R517 PolarHBondContact O-N 2.77Å; Q514-R517 WeakPolarHBondContact O-CB 3.28Å; Q514-R517 PolarHBondContact O-N 3.42Å; I515-R517 PolarHBondContact O-N 2.74Å; R517-L520 PolarHBondContact O-N 3.38Å; R517-E521 PolarHBondContact O-N 2.96Å; R517-E550 WeakPolarHBondContact CD-OE2 3.08Å; R517-E550 IonicContact CZ-OE2 2.78Å; R517-E550 IonicContact NE-OE2 2.53Å; R517-E550 IonicContact NH1-OE1 3.46Å; R517-E550 IonicContact NH1-OE2 3.27Å; R517-E550 PolarHBondContact NH1-OE2 3.12Å
518V88.3Confident86.7Confident77 Ų7759 Ų5947%0.46728%0.28SS..Hα-helixtrans-63.5-41.7176.3171.30000111.2F452 Q514 I515 I516 E521 Y522F452-V518 HydrophobicContact CE2-CG2 4.03Å; F452-V518 HydrophobicContact CZ-CG2 3.8Å; Q514-V518 WeakPolarHBondContact O-CG2 3.35Å; Q514-V518 PolarHBondContact O-N 3.39Å; I515-V518 PolarHBondContact O-N 2.91Å; I515-V518 VanDerWaalsContact O-N 3.07Å; I516-V518 PolarHBondContact O-N 2.63Å; V518-E521 PolarHBondContact O-N 3Å; V518-Y522 WeakPolarHBondContact O-CB 3.35Å; V518-Y522 PolarHBondContact O-N 3.07Å
519I86.6Confident84.9Confident79 Ų7962.3 Ų62.341%0.40531%0.312SS..Hα-helixtrans-64-45176.6-67.9170.4000110.5I515 I516 E521 Y522 L523I515-I519 HydrophobicContact CG2-CD1 3.56Å; I515-I519 HydrophobicContact CG2-CG1 4.09Å; I515-I519 WeakPolarHBondContact O-CG1 3.35Å; I515-I519 PolarHBondContact O-N 3.38Å; I516-I519 PolarHBondContact O-N 3.03Å; I519-E521 VanDerWaalsContact C-N 3.3Å; I519-E521 PolarHBondContact O-N 3.15Å; I519-Y522 WeakPolarHBondContact O-CB 3.28Å; I519-Y522 PolarHBondContact O-N 3.07Å; I519-L523 HydrophobicContact CG2-CD1 3.92Å; I519-L523 HydrophobicContact CG2-CG 4.19Å; I519-L523 WeakPolarHBondContact O-CB 3.42Å; I519-L523 VanDerWaalsContact O-CG 3.3Å; I519-L523 WeakPolarHBondContact O-CG 3.44Å; I519-L523 PolarHBondContact O-N 2.94Å
520L87.1Confident83.4Confident15 Ų1561.9 Ų61.98%0.07932%0.315CS..Hα-helixtrans-61-38.9176-69.9171.6000111.8I516 R517 D524 M539 L542 K543 F546I516-L520 HydrophobicContact CG2-CD1 4.03Å; I516-L520 HydrophobicContact CG2-CG 4.29Å; I516-L520 WeakPolarHBondContact O-CB 3.45Å; I516-L520 VanDerWaalsContact O-CG 3.26Å; I516-L520 WeakPolarHBondContact O-CG 3.36Å; I516-L520 PolarHBondContact O-N 3.47Å; R517-L520 PolarHBondContact O-N 3.38Å; L520-D524 WeakPolarHBondContact O-CB 3.48Å; L520-D524 PolarHBondContact O-N 3.38Å; L520-M539 HydrophobicContact CB-SD 4.1Å; L520-M539 HydrophobicContact CD2-CE 4.28Å; L520-M539 HydrophobicContact CD2-SD 3.71Å; L520-L542 HydrophobicContact CD1-CB 4.06Å; L520-L542 HydrophobicContact CD2-CB 4.13Å; L520-L542 HydrophobicContact CD2-CD1 4.12Å; L520-K543 HydrophobicContact CB-CG 4.25Å; L520-K543 WeakPolarHBondContact O-CE 3.29Å; L520-F546 HydrophobicContact CD1-CB 4.16Å; L520-F546 HydrophobicContact CD1-CD2 3.59Å; L520-F546 HydrophobicContact CD1-CE2 4.24Å; L520-F546 HydrophobicContact CD1-CG 3.96Å
521E85.4Confident82.1Confident81 Ų8170 Ų7038%0.37935%0.353SS..Hα-helixtrans-65-43.4174.9-165.759.7-138.200111.7R517 V518 I519 D524 Q525 K543R517-E521 PolarHBondContact O-N 2.96Å; V518-E521 PolarHBondContact O-N 3Å; I519-E521 VanDerWaalsContact C-N 3.3Å; I519-E521 PolarHBondContact O-N 3.15Å; E521-D524 PolarHBondContact O-N 3.14Å; E521-Q525 WeakPolarHBondContact O-CG 3.46Å; E521-Q525 PolarHBondContact O-N 3.49Å; E521-Q525 VanDerWaalsContact O-N 3.14Å; E521-K543 IonicContact OE1-NZ 2.69Å; E521-K543 PolarHBondContact OE1-NZ 3.42Å; E521-K543 VanDerWaalsContact OE1-NZ 3.14Å; E521-K543 WeakPolarHBondContact OE2-CE 3.33Å; E521-K543 IonicContact OE2-NZ 3.28Å; E521-K543 PolarHBondContact OE2-NZ 2.97Å
522Y81.3Confident81.4Confident112 Ų11275.8 Ų75.844%0.43938%0.384SS..Hα-helixtrans-62.6-46.3175.5176.2-103.1000112.3V518 I519 D524 Q525 R526V518-Y522 WeakPolarHBondContact O-CB 3.35Å; V518-Y522 PolarHBondContact O-N 3.07Å; I519-Y522 WeakPolarHBondContact O-CB 3.28Å; I519-Y522 PolarHBondContact O-N 3.07Å; Y522-D524 PolarHBondContact O-N 3.15Å; Y522-Q525 PolarHBondContact O-N 3.31Å; Y522-R526 HydrophobicContact CE1-CG 4.18Å; Y522-R526 HydrophobicContact CE2-CG 4.37Å; Y522-R526 WeakPolarHBondContact O-CG 3.42Å; Y522-R526 PolarHBondContact O-N 3.48Å; Y522-R526 VanDerWaalsContact O-N 3.15Å; Y522-R526 PolarHBondContact OH-NE 3.22Å; Y522-R526 PolarHBondContact OH-NH2 3.49Å
523L81.6Confident80.8Confident74 Ų7480.7 Ų80.739%0.38740%0.402SS..Hα-helixtrans-63-41.1178.6-71.6176000111.7I519 Q525 R526 L527 M539I519-L523 HydrophobicContact CG2-CD1 3.92Å; I519-L523 HydrophobicContact CG2-CG 4.19Å; I519-L523 WeakPolarHBondContact O-CB 3.42Å; I519-L523 VanDerWaalsContact O-CG 3.3Å; I519-L523 WeakPolarHBondContact O-CG 3.44Å; I519-L523 PolarHBondContact O-N 2.94Å; L523-Q525 PolarHBondContact O-N 3.47Å; L523-R526 PolarHBondContact O-N 2.82Å; L523-L527 HydrophobicContact CB-CD1 4.46Å; L523-L527 WeakPolarHBondContact O-CB 3.45Å; L523-L527 WeakPolarHBondContact O-CD1 3.46Å; L523-L527 VanDerWaalsContact O-CG 3.29Å; L523-L527 WeakPolarHBondContact O-CG 3.35Å; L523-L527 PolarHBondContact O-N 2.71Å; L523-M539 HydrophobicContact CB-CE 3.79Å; L523-M539 HydrophobicContact CD1-CE 4.4Å
524D80.8Confident80.2Confident29 Ų2988 Ų8816%0.15543%0.434CS..Hα-helixtrans-62-42.8176.1-176.664.1000112.4L520 E521 Y522 R526 L527 K528 M539 K543L520-D524 WeakPolarHBondContact O-CB 3.48Å; L520-D524 PolarHBondContact O-N 3.38Å; E521-D524 PolarHBondContact O-N 3.14Å; Y522-D524 PolarHBondContact O-N 3.15Å; D524-R526 PolarHBondContact O-N 2.77Å; D524-L527 PolarHBondContact O-N 2.8Å; D524-K528 WeakPolarHBondContact O-CG 3.33Å; D524-K528 PolarHBondContact O-N 3.14Å; D524-K528 VanDerWaalsContact O-N 3.1Å; D524-M539 HydrophobicContact CB-CG 3.68Å; D524-M539 HydrophobicContact CB-SD 4.38Å; D524-K543 IonicContact OD1-NZ 3.8Å; D524-K543 IonicContact OD2-NZ 3.63Å; D524-K543 PolarHBondContact OD2-NZ 3.24Å
525Q75.3Confident79.6Confident119 Ų11988.5 Ų88.556%0.55644%0.441SS*.Hα-helixtrans-60.1-36.3175-72-176.96.300112.2E521 Y522 L523E521-Q525 WeakPolarHBondContact O-CG 3.46Å; E521-Q525 PolarHBondContact O-N 3.49Å; E521-Q525 VanDerWaalsContact O-N 3.14Å; Y522-Q525 PolarHBondContact O-N 3.31Å; L523-Q525 PolarHBondContact O-N 3.47Å
526R71.2Confident79.2Confident80 Ų8091.5 Ų91.530%0.30245%0.453SS..Hα-helixtrans-74.5-38.1176.6-67.9-68.4-171171.22.3112.6L99 Y522 L523 D524 K528L99-R526 PolarHBondContact O-NH1 3.43Å; L99-R526 PolarHBondContact O-NH2 3.47Å; L99-R526 VanDerWaalsContact O-NH2 3.15Å; Y522-R526 HydrophobicContact CE1-CG 4.18Å; Y522-R526 HydrophobicContact CE2-CG 4.37Å; Y522-R526 WeakPolarHBondContact O-CG 3.42Å; Y522-R526 PolarHBondContact O-N 3.48Å; Y522-R526 VanDerWaalsContact O-N 3.15Å; Y522-R526 PolarHBondContact OH-NE 3.22Å; Y522-R526 PolarHBondContact OH-NH2 3.49Å; L523-R526 PolarHBondContact O-N 2.82Å; D524-R526 PolarHBondContact O-N 2.77Å; R526-K528 PolarHBondContact O-N 3.05Å
527L71.3Confident78.8Confident60 Ų6092.8 Ų92.831%0.31447%0.466SS..Hα-helixtrans-76.8-5.9-179.9-72.4162.7000113.5L523 D524 A529 A530 M539L523-L527 HydrophobicContact CB-CD1 4.46Å; L523-L527 WeakPolarHBondContact O-CB 3.45Å; L523-L527 WeakPolarHBondContact O-CD1 3.46Å; L523-L527 VanDerWaalsContact O-CG 3.29Å; L523-L527 WeakPolarHBondContact O-CG 3.35Å; L523-L527 PolarHBondContact O-N 2.71Å; D524-L527 PolarHBondContact O-N 2.8Å; L527-A529 PolarHBondContact O-N 3.44Å; L527-A530 HydrophobicContact CD2-CB 4.31Å; L527-A530 PolarHBondContact O-N 2.93Å; L527-M539 HydrophobicContact CD1-CE 3.8Å
528K67.1Low78.6Confident134 Ų13492.2 Ų92.258%0.58347%0.47SS*.THydrogen-bonded Turntrans-59.1-29.9172.1-80.5172.7-172.2-179.40113D524 R526 A530D524-K528 WeakPolarHBondContact O-CG 3.33Å; D524-K528 PolarHBondContact O-N 3.14Å; D524-K528 VanDerWaalsContact O-N 3.1Å; R526-K528 PolarHBondContact O-N 3.05Å; K528-A530 VanDerWaalsContact C-N 3.33Å
529A60Low78.5Confident97 Ų9789.3 Ų89.380%0.80245%0.452SS*.THydrogen-bonded Turntrans-77.8-15.5175.100000113.7L527L527-A529 PolarHBondContact O-N 3.44Å
530A64.2Low78.4Confident41 Ų4190 Ų9034%0.33946%0.46SS..  trans-91134.6176.900000110.6L527 K528 N532 K536L527-A530 HydrophobicContact CD2-CB 4.31Å; L527-A530 PolarHBondContact O-N 2.93Å; K528-A530 VanDerWaalsContact C-N 3.33Å; A530-N532 VanDerWaalsContact C-N 3.31Å; A530-N532 PolarHBondContact O-N 3.4Å; A530-K536 WeakPolarHBondContact O-CE 3.5Å; A530-K536 PolarHBondContact O-NZ 2.99Å
531E69.6Low78.5Confident181 Ų18192.5 Ų92.585%0.84648%0.478SS*.  trans-83.70.2-177.4-64.9-160.8152.600114.6K533E531-K533 PolarHBondContact O-N 3.2Å
532N80.6Confident78.6Confident121 Ų12191.5 Ų91.565%0.64748%0.475SS*.  trans-67.4104.7-175.6-93.7-30.2000113.1A530 F534 A535 K536A530-N532 VanDerWaalsContact C-N 3.31Å; A530-N532 PolarHBondContact O-N 3.4Å; N532-F534 VanDerWaalsContact C-N 3.33Å; N532-F534 PolarHBondContact O-N 3.39Å; N532-A535 HydrophobicContact CB-CB 4.12Å; N532-A535 PolarHBondContact O-N 3.31Å; N532-K536 PolarHBondContact O-N 2.84Å
533K82.8Confident79Confident183 Ų18388.1 Ų88.180%0.79646%0.462SS*.Hα-helixtrans-58.6-38.4179.9-64.4179.9-178.4177.30113.3E531 K536 C537E531-K533 PolarHBondContact O-N 3.2Å; K533-K536 PolarHBondContact O-N 2.91Å; K533-C537 PolarHBondContact O-N 3.49Å
534F83.1Confident79.4Confident164 Ų16488.1 Ų88.172%0.71947%0.468SS*.Hα-helixtrans-64-44.9178.3178.9-100.8000112.3N532 K536 C537 L538N532-F534 VanDerWaalsContact C-N 3.33Å; N532-F534 PolarHBondContact O-N 3.39Å; F534-K536 VanDerWaalsContact C-N 3.3Å; F534-K536 PolarHBondContact O-N 2.92Å; F534-C537 PolarHBondContact O-N 2.97Å; F534-L538 HydrophobicContact CE1-CD2 4.47Å; F534-L538 PolarHBondContact O-N 2.9Å
535A81.1Confident79.9Confident31 Ų3190 Ų9026%0.25648%0.483SS..Hα-helixtrans-62-38.8177.900000111.8N532 M539N532-A535 HydrophobicContact CB-CB 4.12Å; N532-A535 PolarHBondContact O-N 3.31Å; A535-M539 VanDerWaalsContact O-CB 3.28Å; A535-M539 WeakPolarHBondContact O-CB 3.47Å; A535-M539 PolarHBondContact O-N 3.1Å
536K82.3Confident80.6Confident88 Ų8886.6 Ų86.638%0.38347%0.466SS..Hα-helixtrans-64.4-41.8174.7-69-179.9179.4175.10112.3A530 N532 K533 F534 T540A530-K536 WeakPolarHBondContact O-CE 3.5Å; A530-K536 PolarHBondContact O-NZ 2.99Å; N532-K536 PolarHBondContact O-N 2.84Å; K533-K536 PolarHBondContact O-N 2.91Å; F534-K536 VanDerWaalsContact C-N 3.3Å; F534-K536 PolarHBondContact O-N 2.92Å; K536-T540 WeakPolarHBondContact O-CB 3.46Å; K536-T540 PolarHBondContact O-N 3.15Å; K536-T540 PolarHBondContact O-OG1 3.41Å
537C84.5Confident81.6Confident86 Ų8688.6 Ų88.658%0.58147%0.474SS*.Hα-helixtrans-63.1-50.1175.3-176.30000111.6K533 F534 M539 T540 C541K533-C537 PolarHBondContact O-N 3.49Å; F534-C537 PolarHBondContact O-N 2.97Å; C537-M539 VanDerWaalsContact C-N 3.34Å; C537-M539 PolarHBondContact O-N 3.07Å; C537-T540 PolarHBondContact O-N 3.34Å; C537-C541 PolarHBondContact O-N 3.02Å
538L86.6Confident82.5Confident85 Ų8588.7 Ų88.745%0.44548%0.479SS..Hα-helixtrans-59.2-44.2178.4179.161.8000111.7F534 T540 C541 L542F534-L538 HydrophobicContact CE1-CD2 4.47Å; F534-L538 PolarHBondContact O-N 2.9Å; L538-T540 VanDerWaalsContact C-N 3.34Å; L538-T540 PolarHBondContact O-N 3.07Å; L538-C541 PolarHBondContact O-N 3.32Å; L538-L542 HydrophobicContact CD1-CD1 4.22Å; L538-L542 HydrophobicContact CD1-CG 4.2Å; L538-L542 HydrophobicContact CG-CD1 4.09Å; L538-L542 HydrophobicContact CG-CG 4.46Å; L538-L542 WeakPolarHBondContact O-CG 3.35Å; L538-L542 PolarHBondContact O-N 3.16Å
539M85.3Confident83.7Confident16 Ų1685.5 Ų85.58%0.07947%0.468CS..Hα-helixtrans-62.8-42178.5-170.35666.500111.8L520 L523 D524 L527 A535 C537 C541 L542 K543L520-M539 HydrophobicContact CB-SD 4.1Å; L520-M539 HydrophobicContact CD2-CE 4.28Å; L520-M539 HydrophobicContact CD2-SD 3.71Å; L523-M539 HydrophobicContact CB-CE 3.79Å; L523-M539 HydrophobicContact CD1-CE 4.4Å; D524-M539 HydrophobicContact CB-CG 3.68Å; D524-M539 HydrophobicContact CB-SD 4.38Å; L527-M539 HydrophobicContact CD1-CE 3.8Å; A535-M539 VanDerWaalsContact O-CB 3.28Å; A535-M539 WeakPolarHBondContact O-CB 3.47Å; A535-M539 PolarHBondContact O-N 3.1Å; C537-M539 VanDerWaalsContact C-N 3.34Å; C537-M539 PolarHBondContact O-N 3.07Å; M539-C541 VanDerWaalsContact C-N 3.35Å; M539-C541 PolarHBondContact O-N 2.63Å; M539-L542 PolarHBondContact O-N 3.06Å; M539-K543 WeakPolarHBondContact O-CB 3.42Å; M539-K543 VanDerWaalsContact O-CG 3.29Å; M539-K543 WeakPolarHBondContact O-CG 3.49Å; M539-K543 PolarHBondContact O-N 2.91Å
540T84.6Confident85.3Confident92 Ų9281.3 Ų81.356%0.56443%0.431SS*.Hα-helixtrans-62.3-43176.1-55.10000111.4K536 C537 L538 C544K536-T540 WeakPolarHBondContact O-CB 3.46Å; K536-T540 PolarHBondContact O-N 3.15Å; K536-T540 PolarHBondContact O-OG1 3.41Å; C537-T540 PolarHBondContact O-N 3.34Å; L538-T540 VanDerWaalsContact C-N 3.34Å; L538-T540 PolarHBondContact O-N 3.07Å; T540-C544 PolarHBondContact O-N 3.33Å; T540-C544 VanDerWaalsContact O-N 3.12Å
541C88.8Confident86.5Confident69 Ų6984.7 Ų84.747%0.46644%0.438SS..Hα-helixtrans-62.6-50.8176.4-174.20000111.7C537 L538 M539 K543 C544 C545C537-C541 PolarHBondContact O-N 3.02Å; L538-C541 PolarHBondContact O-N 3.32Å; M539-C541 VanDerWaalsContact C-N 3.35Å; M539-C541 PolarHBondContact O-N 2.63Å; C541-K543 PolarHBondContact O-N 3.46Å; C541-C544 WeakPolarHBondContact O-CB 3.42Å; C541-C544 PolarHBondContact O-N 3.37Å; C541-C544 VanDerWaalsContact O-N 3.14Å; C541-C545 PolarHBondContact O-N 3.01Å; C541-C545 PolarHBondContact O-SG 3.5Å; C541-C545 VanDerWaalsContact O-SG 3.34Å
542L89.5Confident87.6Confident60 Ų6080.6 Ų80.631%0.31442%0.418SS..Hα-helixtrans-60.1-43.3179-71.3175000112L520 L538 M539 C544 C545 F546L520-L542 HydrophobicContact CD1-CB 4.06Å; L520-L542 HydrophobicContact CD2-CB 4.13Å; L520-L542 HydrophobicContact CD2-CD1 4.12Å; L538-L542 HydrophobicContact CD1-CD1 4.22Å; L538-L542 HydrophobicContact CD1-CG 4.2Å; L538-L542 HydrophobicContact CG-CD1 4.09Å; L538-L542 HydrophobicContact CG-CG 4.46Å; L538-L542 WeakPolarHBondContact O-CG 3.35Å; L538-L542 PolarHBondContact O-N 3.16Å; M539-L542 PolarHBondContact O-N 3.06Å; L542-C544 VanDerWaalsContact C-N 3.32Å; L542-C544 PolarHBondContact O-N 3.42Å; L542-C545 PolarHBondContact O-N 2.84Å; L542-F546 WeakPolarHBondContact O-CD2 3.3Å; L542-F546 PolarHBondContact O-N 3.4Å
543K88.3Confident88.2Confident40 Ų4075.8 Ų75.817%0.17439%0.392CS..Hα-helixtrans-57.7-44.8175-77.5-176.7176.6-160.20112L520 E521 D524 M539 C541 W547L520-K543 HydrophobicContact CB-CG 4.25Å; L520-K543 WeakPolarHBondContact O-CE 3.29Å; E521-K543 IonicContact OE1-NZ 2.69Å; E521-K543 PolarHBondContact OE1-NZ 3.42Å; E521-K543 VanDerWaalsContact OE1-NZ 3.14Å; E521-K543 WeakPolarHBondContact OE2-CE 3.33Å; E521-K543 IonicContact OE2-NZ 3.28Å; E521-K543 PolarHBondContact OE2-NZ 2.97Å; D524-K543 IonicContact OD1-NZ 3.8Å; D524-K543 IonicContact OD2-NZ 3.63Å; D524-K543 PolarHBondContact OD2-NZ 3.24Å; M539-K543 WeakPolarHBondContact O-CB 3.42Å; M539-K543 VanDerWaalsContact O-CG 3.29Å; M539-K543 WeakPolarHBondContact O-CG 3.49Å; M539-K543 PolarHBondContact O-N 2.91Å; C541-K543 PolarHBondContact O-N 3.46Å; K543-W547 VanDerWaalsContact O-CB 3.23Å; K543-W547 WeakPolarHBondContact O-CB 3.44Å; K543-W547 PolarHBondContact O-N 2.96Å
544C89.9Confident88.8Confident75 Ų7570.8 Ų70.851%0.50737%0.371SS..Hα-helixtrans-62.9-49176.7-173.30000111.4T540 C541 L542 F546 W547 C548T540-C544 PolarHBondContact O-N 3.33Å; T540-C544 VanDerWaalsContact O-N 3.12Å; C541-C544 WeakPolarHBondContact O-CB 3.42Å; C541-C544 PolarHBondContact O-N 3.37Å; C541-C544 VanDerWaalsContact O-N 3.14Å; L542-C544 VanDerWaalsContact C-N 3.32Å; L542-C544 PolarHBondContact O-N 3.42Å; C544-F546 PolarHBondContact O-N 3.01Å; C544-W547 PolarHBondContact O-N 3.44Å; C544-C548 PolarHBondContact O-N 3.12Å; C544-C548 PolarHBondContact O-SG 2.89Å; C544-C548 VanDerWaalsContact O-SG 3.36Å
545C91.5Very high89.2Confident69 Ų6966.6 Ų66.647%0.46635%0.352SS..Hα-helixtrans-59.3-47179-68.10000112.5C541 L542 C548 L549C541-C545 PolarHBondContact O-N 3.01Å; C541-C545 PolarHBondContact O-SG 3.5Å; C541-C545 VanDerWaalsContact O-SG 3.34Å; L542-C545 PolarHBondContact O-N 2.84Å; C545-C548 PolarHBondContact O-N 2.91Å; C545-L549 WeakPolarHBondContact O-CB 3.25Å; C545-L549 PolarHBondContact O-N 3.26Å
546F90.9Very high89.7Confident46 Ų4666.6 Ų66.620%0.20235%0.348CS..Hα-helixtrans-71.1-30.7179.4-86.1-86.6000112.8V513 I516 L520 L542 C544 L549 E550V513-F546 HydrophobicContact CG1-CD1 4.27Å; I516-F546 HydrophobicContact CB-CD1 4.02Å; I516-F546 HydrophobicContact CB-CE1 3.81Å; I516-F546 HydrophobicContact CB-CZ 4.4Å; I516-F546 HydrophobicContact CD1-CE1 3.7Å; I516-F546 HydrophobicContact CD1-CZ 4.2Å; I516-F546 HydrophobicContact CG1-CE1 4.35Å; I516-F546 HydrophobicContact CG2-CD1 3.67Å; I516-F546 HydrophobicContact CG2-CD2 4.2Å; I516-F546 HydrophobicContact CG2-CE1 3.37Å; I516-F546 HydrophobicContact CG2-CE2 3.93Å; I516-F546 HydrophobicContact CG2-CG 4.09Å; I516-F546 HydrophobicContact CG2-CZ 3.51Å; L520-F546 HydrophobicContact CD1-CB 4.16Å; L520-F546 HydrophobicContact CD1-CD2 3.59Å; L520-F546 HydrophobicContact CD1-CE2 4.24Å; L520-F546 HydrophobicContact CD1-CG 3.96Å; L542-F546 WeakPolarHBondContact O-CD2 3.3Å; L542-F546 PolarHBondContact O-N 3.4Å; C544-F546 PolarHBondContact O-N 3.01Å; F546-L549 HydrophobicContact CD1-CD2 4.24Å; F546-L549 HydrophobicContact CE1-CD2 4.19Å; F546-L549 PolarHBondContact O-N 3.03Å; F546-E550 WeakPolarHBondContact O-CB 3.06Å; F546-E550 PolarHBondContact O-N 3.36Å
547W91.2Very high90.4Very high122 Ų12262.6 Ų62.646%0.46233%0.33SS..Hα-helixtrans-65-45.2170.4-178.388.6000111.6K543 C544 E550 K551K543-W547 VanDerWaalsContact O-CB 3.23Å; K543-W547 WeakPolarHBondContact O-CB 3.44Å; K543-W547 PolarHBondContact O-N 2.96Å; C544-W547 PolarHBondContact O-N 3.44Å; W547-E550 PolarHBondContact O-N 3.39Å; W547-K551 HydrophobicContact CD2-CG 4.49Å; W547-K551 HydrophobicContact CZ2-CG 4.42Å; W547-K551 WeakPolarHBondContact O-CG 3.33Å; W547-K551 PolarHBondContact O-N 2.85Å; W547-K551 VanDerWaalsContact O-N 3.12Å
548C90.5Very high90.9Very high63 Ų6361.5 Ų61.543%0.42631%0.314SS..Hα-helixtrans-61.9-43.3173.8-710000111.7C544 C545 K551 F552C544-C548 PolarHBondContact O-N 3.12Å; C544-C548 PolarHBondContact O-SG 2.89Å; C544-C548 VanDerWaalsContact O-SG 3.36Å; C545-C548 PolarHBondContact O-N 2.91Å; C548-K551 PolarHBondContact O-N 2.03Å; C548-F552 WeakPolarHBondContact O-CB 3.35Å; C548-F552 PolarHBondContact O-N 3.32Å
549L92.8Very high91.3Very high66 Ų6658.2 Ų58.235%0.34630%0.297SS..Hα-helixtrans-62.2-45.6177.1-177.662.3000111.3V513 C545 F546 K551 F552 I553V513-L549 HydrophobicContact CG1-CB 4.48Å; V513-L549 HydrophobicContact CG1-CD2 4.28Å; V513-L549 HydrophobicContact CG1-CG 4.21Å; V513-L549 HydrophobicContact CG2-CD2 3.93Å; V513-L549 HydrophobicContact CG2-CG 4.2Å; C545-L549 WeakPolarHBondContact O-CB 3.25Å; C545-L549 PolarHBondContact O-N 3.26Å; F546-L549 HydrophobicContact CD1-CD2 4.24Å; F546-L549 HydrophobicContact CE1-CD2 4.19Å; F546-L549 PolarHBondContact O-N 3.03Å; L549-K551 VanDerWaalsContact C-N 3.28Å; L549-K551 PolarHBondContact O-N 2.91Å; L549-F552 PolarHBondContact O-N 3.05Å; L549-I553 HydrophobicContact CD1-CD1 4.29Å; L549-I553 HydrophobicContact CD1-CG1 3.97Å; L549-I553 HydrophobicContact CG-CG1 4.22Å; L549-I553 WeakPolarHBondContact O-CB 3.44Å; L549-I553 VanDerWaalsContact O-CG1 3.3Å; L549-I553 WeakPolarHBondContact O-CG1 3.25Å; L549-I553 PolarHBondContact O-N 3.16Å
550E93.2Very high91.8Very high9 Ų957.4 Ų57.44%0.04229%0.293CS..Hα-helixtrans-57.8-43176.5-170.1-168.5156.300111.3L510 V513 Q514 R517 F546 W547 K554L510-E550 HydrophobicContact CD1-CG 3.94Å; V513-E550 HydrophobicContact CG1-CB 3.86Å; V513-E550 HydrophobicContact CG1-CG 4.43Å; Q514-E550 HydrophobicContact CG-CG 4.25Å; Q514-E550 PolarHBondContact NE2-OE1 3.08Å; R517-E550 WeakPolarHBondContact CD-OE2 3.08Å; R517-E550 IonicContact CZ-OE2 2.78Å; R517-E550 IonicContact NE-OE2 2.53Å; R517-E550 IonicContact NH1-OE1 3.46Å; R517-E550 IonicContact NH1-OE2 3.27Å; R517-E550 PolarHBondContact NH1-OE2 3.12Å; F546-E550 WeakPolarHBondContact O-CB 3.06Å; F546-E550 PolarHBondContact O-N 3.36Å; W547-E550 PolarHBondContact O-N 3.39Å; E550-K554 HydrophobicContact CG-CD 4.31Å; E550-K554 WeakPolarHBondContact O-CB 3.38Å; E550-K554 VanDerWaalsContact O-CG 3.3Å; E550-K554 WeakPolarHBondContact O-CG 3.43Å; E550-K554 PolarHBondContact O-N 2.54Å; E550-K554 WeakPolarHBondContact OE1-CE 3.46Å; E550-K554 IonicContact OE1-NZ 2.82Å; E550-K554 PolarHBondContact OE1-NZ 2.76Å
551K90.4Very high92.4Very high112 Ų11253.2 Ų53.249%0.48727%0.267SS..Hα-helixtrans-64.5-44.3177-70-68-176.6174.70112W547 C548 L549 K554 F555W547-K551 HydrophobicContact CD2-CG 4.49Å; W547-K551 HydrophobicContact CZ2-CG 4.42Å; W547-K551 WeakPolarHBondContact O-CG 3.33Å; W547-K551 PolarHBondContact O-N 2.85Å; W547-K551 VanDerWaalsContact O-N 3.12Å; C548-K551 PolarHBondContact O-N 2.03Å; L549-K551 VanDerWaalsContact C-N 3.28Å; L549-K551 PolarHBondContact O-N 2.91Å; K551-K554 PolarHBondContact O-N 2.93Å; K551-F555 PolarHBondContact O-N 3.32Å
552F91.6Very high92.8Very high95 Ų9550 Ų5042%0.41725%0.245SC..Hα-helixtrans-63.6-45.9177.4177.9-103.7000112.2C548 L549 K554 F555 L556 F579C548-F552 WeakPolarHBondContact O-CB 3.35Å; C548-F552 PolarHBondContact O-N 3.32Å; L549-F552 PolarHBondContact O-N 3.05Å; F552-K554 PolarHBondContact O-N 2.96Å; F552-F555 WeakPolarHBondContact O-CB 3.49Å; F552-F555 PolarHBondContact O-N 2.85Å; F552-L556 PolarHBondContact O-N 3.12Å; F552-F579 HydrophobicContact CE2-CE2 4.39Å; F552-F579 HydrophobicContact CZ-CE2 4.34Å
553I94.2Very high93Very high20 Ų2047.2 Ų47.210%0.10323%0.23CC..Hα-helixtrans-63.8-40.6177.2-65-59.7000110.9I509 L510 L549 F555 L556 N557I509-I553 HydrophobicContact CG2-CD1 4.17Å; I509-I553 HydrophobicContact CG2-CG1 4.48Å; I509-I553 HydrophobicContact CG2-CG2 3.96Å; L510-I553 HydrophobicContact CB-CG2 4.19Å; L510-I553 HydrophobicContact CD1-CB 4.46Å; L510-I553 HydrophobicContact CD1-CG2 4.04Å; L549-I553 HydrophobicContact CD1-CD1 4.29Å; L549-I553 HydrophobicContact CD1-CG1 3.97Å; L549-I553 HydrophobicContact CG-CG1 4.22Å; L549-I553 WeakPolarHBondContact O-CB 3.44Å; L549-I553 VanDerWaalsContact O-CG1 3.3Å; L549-I553 WeakPolarHBondContact O-CG1 3.25Å; L549-I553 PolarHBondContact O-N 3.16Å; I553-F555 VanDerWaalsContact C-N 3.33Å; I553-F555 PolarHBondContact O-N 2.71Å; I553-L556 PolarHBondContact O-N 2.9Å; I553-N557 VanDerWaalsContact O-CB 3.24Å; I553-N557 WeakPolarHBondContact O-CB 3.03Å; I553-N557 PolarHBondContact O-N 3.41Å; I553-N557 PolarHBondContact O-OD1 3.37Å
554K93.7Very high93.4Very high79 Ų7945.3 Ų45.334%0.34322%0.222SC..Hα-helixtrans-59.2-43.3173.3-80173.9170.51740112.2L510 E550 K551 F552 R558L510-K554 HydrophobicContact CD1-CD 4.48Å; L510-K554 HydrophobicContact CD1-CG 3.79Å; L510-K554 HydrophobicContact CD2-CG 3.8Å; L510-K554 HydrophobicContact CG-CG 4.49Å; E550-K554 HydrophobicContact CG-CD 4.31Å; E550-K554 WeakPolarHBondContact O-CB 3.38Å; E550-K554 VanDerWaalsContact O-CG 3.3Å; E550-K554 WeakPolarHBondContact O-CG 3.43Å; E550-K554 PolarHBondContact O-N 2.54Å; E550-K554 WeakPolarHBondContact OE1-CE 3.46Å; E550-K554 IonicContact OE1-NZ 2.82Å; E550-K554 PolarHBondContact OE1-NZ 2.76Å; K551-K554 PolarHBondContact O-N 2.93Å; F552-K554 PolarHBondContact O-N 2.96Å; K554-R558 WeakPolarHBondContact O-CB 3.43Å; K554-R558 PolarHBondContact O-N 2.79Å
555F91.3Very high93.6Very high76 Ų7642 Ų4233%0.33320%0.2SC..Hα-helixtrans-62.6-48.5175.1171.3-95.4000111.7K551 F552 I553 R558 N559 L582K551-F555 PolarHBondContact O-N 3.32Å; F552-F555 WeakPolarHBondContact O-CB 3.49Å; F552-F555 PolarHBondContact O-N 2.85Å; I553-F555 VanDerWaalsContact C-N 3.33Å; I553-F555 PolarHBondContact O-N 2.71Å; F555-R558 PolarHBondContact O-N 3.02Å; F555-N559 WeakPolarHBondContact CE2-ND2 3.23Å; F555-N559 PolarHBondContact O-N 2.93Å; F555-N559 PolarHBondContact O-ND2 3.29Å; F555-L582 HydrophobicContact CE1-CD1 4.33Å; F555-L582 HydrophobicContact CZ-CD1 3.85Å
556L93.6Very high93.7Very high31 Ų3138.7 Ų38.716%0.16218%0.178CC..Hα-helixtrans-61.2-49.6179.3-175.369.2000111.3F552 I553 R558 N559 A560 A575 F579F552-L556 PolarHBondContact O-N 3.12Å; I553-L556 PolarHBondContact O-N 2.9Å; L556-R558 PolarHBondContact O-N 2.02Å; L556-N559 PolarHBondContact O-N 3.47Å; L556-A560 VanDerWaalsContact O-CB 3.31Å; L556-A560 WeakPolarHBondContact O-CB 3.3Å; L556-A560 PolarHBondContact O-N 2.87Å; L556-A575 HydrophobicContact CD1-CB 4.18Å; L556-A575 HydrophobicContact CD2-CB 4.49Å; L556-A575 HydrophobicContact CG-CB 4.23Å; L556-F579 HydrophobicContact CD1-CB 4.16Å; L556-F579 HydrophobicContact CD1-CD2 4.43Å
557N95.5Very high93.6Very high4 Ų438.3 Ų38.32%0.02118%0.175CC..Hα-helixtrans-56.6-49.3179.1-77.39.3000111.2G506 I553 N559 A560 Y561 F571G506-N557 PolarHBondContact O-ND2 3.5Å; I553-N557 VanDerWaalsContact O-CB 3.24Å; I553-N557 WeakPolarHBondContact O-CB 3.03Å; I553-N557 PolarHBondContact O-N 3.41Å; I553-N557 PolarHBondContact O-OD1 3.37Å; N557-N559 VanDerWaalsContact C-N 3.31Å; N557-N559 PolarHBondContact O-N 3.26Å; N557-A560 PolarHBondContact O-N 3.01Å; N557-Y561 HydrophobicContact CB-CD2 4.37Å; N557-Y561 HydrophobicContact CB-CE2 3.74Å; N557-Y561 WeakPolarHBondContact O-CB 3.49Å; N557-Y561 WeakPolarHBondContact O-CD2 3.15Å; N557-Y561 PolarHBondContact O-N 3.46Å; N557-F571 VanDerWaalsContact OD1-CZ 3.23Å; N557-F571 WeakPolarHBondContact OD1-CZ 3.34Å
558R94.8Very high93.6Very high63 Ų6332.9 Ų32.924%0.23816%0.157CC..Hα-helixtrans-55.5-46.2-179.3-173.5175.8-171.5-171.4-3.1111.8K554 F555 L556 I562 M660 D663K554-R558 WeakPolarHBondContact O-CB 3.43Å; K554-R558 PolarHBondContact O-N 2.79Å; F555-R558 PolarHBondContact O-N 3.02Å; L556-R558 PolarHBondContact O-N 2.02Å; R558-I562 WeakPolarHBondContact O-CG1 3.38Å; R558-I562 PolarHBondContact O-N 3.38Å; R558-M660 HydrophobicContact CG-CE 4.49Å; R558-M660 HydrophobicContact CG-SD 4.15Å; R558-M660 PolarHBondContact NE-SD 3.38Å; R558-D663 IonicContact CZ-OD2 2.72Å; R558-D663 IonicContact NE-OD2 3.58Å; R558-D663 PolarHBondContact NE-OD2 3.47Å; R558-D663 VanDerWaalsContact NE-OD2 3.16Å; R558-D663 IonicContact NH1-OD2 3.32Å; R558-D663 PolarHBondContact NH1-OD2 3.26Å; R558-D663 IonicContact NH2-OD2 3.2Å; R558-D663 PolarHBondContact NH2-OD2 3.09Å
559N95.1Very high93.7Very high15 Ų1532.1 Ų32.18%0.0815%0.151CC..Hα-helixtrans-75.1-35.1-179.8-67-70.9000112.7F555 L556 N557 Y561 I562 M563 A578 L582F555-N559 WeakPolarHBondContact CE2-ND2 3.23Å; F555-N559 PolarHBondContact O-N 2.93Å; F555-N559 PolarHBondContact O-ND2 3.29Å; L556-N559 PolarHBondContact O-N 3.47Å; N557-N559 VanDerWaalsContact C-N 3.31Å; N557-N559 PolarHBondContact O-N 3.26Å; N559-Y561 VanDerWaalsContact C-N 3.34Å; N559-I562 PolarHBondContact O-N 3.35Å; N559-M563 PolarHBondContact O-N 3.18Å; N559-M563 VanDerWaalsContact O-N 3.12Å; N559-A578 HydrophobicContact CB-CB 3.92Å; N559-L582 HydrophobicContact CB-CD1 3.82Å; N559-L582 VanDerWaalsContact CG-CD1 3.4Å
560A96.6Very high93.8Very high0 Ų031.8 Ų31.80%015%0.149CC..Hα-helixtrans-60.9-43.5172.800000111.4L556 N557 I562 M563 I564 F571 S574 A575L556-A560 VanDerWaalsContact O-CB 3.31Å; L556-A560 WeakPolarHBondContact O-CB 3.3Å; L556-A560 PolarHBondContact O-N 2.87Å; N557-A560 PolarHBondContact O-N 3.01Å; A560-I562 VanDerWaalsContact C-N 3.31Å; A560-I562 PolarHBondContact O-N 3.42Å; A560-M563 PolarHBondContact O-N 2.71Å; A560-M563 VanDerWaalsContact O-N 3.11Å; A560-I564 WeakPolarHBondContact O-CG1 3.23Å; A560-I564 PolarHBondContact O-N 3.34Å; A560-F571 HydrophobicContact CB-CD2 4.34Å; A560-F571 HydrophobicContact CB-CE2 3.93Å; A560-F571 HydrophobicContact CB-CZ 4.34Å; A560-S574 WeakPolarHBondContact O-CB 3.32Å; A560-A575 HydrophobicContact CB-CB 3.73Å
561Y97.1Very high93.9Very high4 Ų431.7 Ų31.72%0.01615%0.149CC..Hα-helixtrans-62.5-35.9177.1-66-31.5000113.1A460 Q463 V464 G506 A507 N557 N559 I564 A565 F571A460-Y561 HydrophobicContact CB-CD2 4.27Å; A460-Y561 HydrophobicContact CB-CE1 4.07Å; A460-Y561 HydrophobicContact CB-CE2 3.55Å; A460-Y561 VanDerWaalsContact CB-CZ 3.46Å; Q463-Y561 HydrophobicContact CB-CD2 4.14Å; V464-Y561 VanDerWaalsContact CG2-CB 3.5Å; V464-Y561 HydrophobicContact CG2-CD1 3.85Å; V464-Y561 HydrophobicContact CG2-CG 3.79Å; G506-Y561 VanDerWaalsContact C-OH 3.28Å; G506-Y561 WeakPolarHBondContact CA-OH 2.96Å; A507-Y561 PolarHBondContact N-OH 2.89Å; N557-Y561 HydrophobicContact CB-CD2 4.37Å; N557-Y561 HydrophobicContact CB-CE2 3.74Å; N557-Y561 WeakPolarHBondContact O-CB 3.49Å; N557-Y561 WeakPolarHBondContact O-CD2 3.15Å; N557-Y561 PolarHBondContact O-N 3.46Å; N559-Y561 VanDerWaalsContact C-N 3.34Å; Y561-I564 HydrophobicContact CD1-CD1 3.92Å; Y561-I564 PolarHBondContact O-N 3.19Å; Y561-A565 WeakPolarHBondContact O-CB 3.21Å; Y561-A565 PolarHBondContact O-N 2.94Å; Y561-F571 HydrophobicContact CE1-CD2 4.07Å; Y561-F571 AromaticContact CE1-CE2 3.91Å; Y561-F571 HydrophobicContact CE1-CE2 3.91Å
562I96.4Very high94.1Very high0 Ų029.9 Ų29.90%015%0.149CC..Hα-helixtrans-63.8-45.6172.1-63.2166.8000110A467 R558 N559 A560 I564 A565 I566 M660 D663 T664 L667A467-I562 HydrophobicContact CB-CB 4.37Å; A467-I562 HydrophobicContact CB-CG1 3.95Å; R558-I562 WeakPolarHBondContact O-CG1 3.38Å; R558-I562 PolarHBondContact O-N 3.38Å; N559-I562 PolarHBondContact O-N 3.35Å; A560-I562 VanDerWaalsContact C-N 3.31Å; A560-I562 PolarHBondContact O-N 3.42Å; I562-I564 PolarHBondContact O-N 3.42Å; I562-A565 WeakPolarHBondContact O-CB 3.34Å; I562-A565 PolarHBondContact O-N 2.88Å; I562-A565 VanDerWaalsContact O-N 3.12Å; I562-I566 HydrophobicContact CG2-CD1 3.95Å; I562-I566 WeakPolarHBondContact O-CG1 3.1Å; I562-I566 PolarHBondContact O-N 2.93Å; I562-M660 HydrophobicContact CG1-CE 4.32Å; I562-D663 HydrophobicContact CD1-CB 3.87Å; I562-T664 HydrophobicContact CG2-CG2 4.17Å; I562-L667 HydrophobicContact CB-CD2 3.91Å; I562-L667 HydrophobicContact CG2-CB 4.12Å; I562-L667 HydrophobicContact CG2-CD2 3.46Å; I562-L667 VanDerWaalsContact CG2-CD2 3.46Å; I562-L667 HydrophobicContact CG2-CG 4.43Å
563M94.8Very high94.2Very high2 Ų228 Ų281%0.0115%0.146CC..Hα-helixtrans-64.7-37.6177-70.6-57.9-78.500113.2N559 A560 A565 I566 Y567 N577 A578 L667N559-M563 PolarHBondContact O-N 3.18Å; N559-M563 VanDerWaalsContact O-N 3.12Å; A560-M563 PolarHBondContact O-N 2.71Å; A560-M563 VanDerWaalsContact O-N 3.11Å; M563-A565 VanDerWaalsContact C-N 3.29Å; M563-A565 PolarHBondContact O-N 3.27Å; M563-I566 PolarHBondContact O-N 3.48Å; M563-I566 HydrophobicContact SD-CD1 4.25Å; M563-Y567 HydrophobicContact CE-CD2 3.63Å; M563-Y567 HydrophobicContact CE-CE2 3.5Å; M563-Y567 VanDerWaalsContact CE-CE2 3.5Å; M563-Y567 PolarHBondContact O-N 3.38Å; M563-Y567 HydrophobicContact SD-CD2 4.35Å; M563-Y567 HydrophobicContact SD-CE2 4.17Å; M563-N577 HydrophobicContact CE-CB 3.87Å; M563-A578 HydrophobicContact CG-CB 3.61Å; M563-L667 HydrophobicContact CG-CD2 3.76Å; M563-L667 HydrophobicContact SD-CD2 3.46Å; M563-L667 WeakPolarHBondContact SD-CD2 3.4Å; M563-L667 HydrophobicContact SD-CG 4.35Å
564I95.6Very high94.2Very high0 Ų027.1 Ų27.10%014%0.141CC..Hα-helixtrans-60.2-44171.4-67.1161.8000109.4H499 A560 Y561 I562 I566 G568 F571 S574H499-I564 HydrophobicContact CB-CG2 3.96Å; A560-I564 WeakPolarHBondContact O-CG1 3.23Å; A560-I564 PolarHBondContact O-N 3.34Å; Y561-I564 HydrophobicContact CD1-CD1 3.92Å; Y561-I564 PolarHBondContact O-N 3.19Å; I562-I564 PolarHBondContact O-N 3.42Å; I564-I566 VanDerWaalsContact C-N 3.27Å; I564-I566 PolarHBondContact O-N 2.97Å; I564-G568 WeakPolarHBondContact O-CA 3.48Å; I564-G568 PolarHBondContact O-N 3.37Å; I564-F571 HydrophobicContact CD1-CB 4.49Å; I564-F571 HydrophobicContact CD1-CD2 4.16Å; I564-S574 VanDerWaalsContact CG1-OG 3.26Å; I564-S574 WeakPolarHBondContact CG1-OG 3.27Å; I564-S574 PolarHBondContact N-OG 3Å
565A95.4Very high94.3Very high5 Ų523.7 Ų23.74%0.04113%0.128CC..Hα-helixtrans-66-29.2179.500000113.2R27 V464 A467 Y561 I562 M563R27-A565 PolarHBondContact NH2-O 3.05Å; V464-A565 HydrophobicContact CG1-CB 4.22Å; A467-A565 HydrophobicContact CB-CB 3.74Å; Y561-A565 WeakPolarHBondContact O-CB 3.21Å; Y561-A565 PolarHBondContact O-N 2.94Å; I562-A565 WeakPolarHBondContact O-CB 3.34Å; I562-A565 PolarHBondContact O-N 2.88Å; I562-A565 VanDerWaalsContact O-N 3.12Å; M563-A565 VanDerWaalsContact C-N 3.29Å; M563-A565 PolarHBondContact O-N 3.27Å
566I92.6Very high94.4Very high0 Ų028 Ų280%014%0.142CC..Hα-helixtrans-80-54.5176.1-60.1163.8000110.5F20 R27 A471 I562 M563 I564 L667F20-I566 HydrophobicContact CE2-CG2 4.36Å; F20-I566 HydrophobicContact CZ-CG2 3.92Å; R27-I566 PolarHBondContact NH1-O 3.43Å; R27-I566 PolarHBondContact NH2-O 3.25Å; A471-I566 HydrophobicContact CB-CG1 3.91Å; I562-I566 HydrophobicContact CG2-CD1 3.95Å; I562-I566 WeakPolarHBondContact O-CG1 3.1Å; I562-I566 PolarHBondContact O-N 2.93Å; M563-I566 PolarHBondContact O-N 3.48Å; M563-I566 HydrophobicContact SD-CD1 4.25Å; I564-I566 VanDerWaalsContact C-N 3.27Å; I564-I566 PolarHBondContact O-N 2.97Å; I566-L667 HydrophobicContact CD1-CD2 4.46Å
567Y90.3Very high94.3Very high38 Ų3828.5 Ų28.515%0.14915%0.145CC..Hα-helixtrans-101.6-20.3-168.7-67.8-68.9000115.7F20 R27 M563 T569 E671 R675F20-Y567 HydrophobicContact CD2-CD1 4.14Å; F20-Y567 AromaticContact CD2-CE1 3.72Å; F20-Y567 HydrophobicContact CD2-CE1 3.72Å; F20-Y567 AromaticContact CE2-CD1 3.8Å; F20-Y567 HydrophobicContact CE2-CD1 3.8Å; F20-Y567 AromaticContact CE2-CE1 3.38Å; F20-Y567 HydrophobicContact CE2-CE1 3.38Å; F20-Y567 HydrophobicContact CG-CE1 4.48Å; F20-Y567 AromaticContact CZ-CE1 3.89Å; F20-Y567 HydrophobicContact CZ-CE1 3.89Å; R27-Y567 PolarHBondContact NH1-O 3.34Å; M563-Y567 HydrophobicContact CE-CD2 3.63Å; M563-Y567 HydrophobicContact CE-CE2 3.5Å; M563-Y567 VanDerWaalsContact CE-CE2 3.5Å; M563-Y567 PolarHBondContact O-N 3.38Å; M563-Y567 HydrophobicContact SD-CD2 4.35Å; M563-Y567 HydrophobicContact SD-CE2 4.17Å; Y567-T569 PolarHBondContact O-N 3.37Å; Y567-E671 WeakPolarHBondContact CE2-OE1 3.25Å; Y567-E671 VanDerWaalsContact CE2-OE2 3.26Å; Y567-E671 WeakPolarHBondContact CE2-OE2 3.42Å; Y567-E671 VanDerWaalsContact CZ-OE1 3.23Å; Y567-E671 PolarHBondContact OH-OE1 3.04Å; Y567-E671 PolarHBondContact OH-OE2 2.95Å; Y567-R675 VanDerWaalsContact CE1-NH2 3.26Å; Y567-R675 PolarHBondContact OH-NH1 3.36Å; Y567-R675 PolarHBondContact OH-NH2 3.49Å
568G90.9Very high94.2Very high9 Ų928.3 Ų28.39%0.09314%0.144CC..  trans65.328.7-177.700000112.7R27 T30 H499 I564R27-G568 VanDerWaalsContact NH1-N 3.1Å; T30-G568 WeakPolarHBondContact CG2-O 3.34Å; H499-G568 WeakPolarHBondContact CE1-CA 3.41Å; H499-G568 PolarHBondContact CE1-O 2.95Å; I564-G568 WeakPolarHBondContact O-CA 3.48Å; I564-G568 PolarHBondContact O-N 3.37Å
569T92.6Very high94.1Very high47 Ų4727.8 Ų27.829%0.28814%0.143SC..  trans-89.8167.7174.555.80000110.6Y567 S574Y567-T569 PolarHBondContact O-N 3.37Å; T569-S574 PolarHBondContact OG1-OG 3.32Å
570N94.3Very high93.8Very high59 Ų5929.8 Ų29.832%0.31615%0.151SC..  trans-63.1167178.668.745000113.1D31 C572 T573 S574D31-N570 WeakPolarHBondContact OD1-CB 3.32Å; D31-N570 WeakPolarHBondContact OD2-CA 3.45Å; D31-N570 WeakPolarHBondContact OD2-CB 3.38Å; N570-C572 PolarHBondContact OD1-N 3.31Å; N570-T573 WeakPolarHBondContact OD1-CB 3.34Å; N570-T573 PolarHBondContact OD1-N 3.23Å; N570-T573 PolarHBondContact OD1-OG1 3.27Å; N570-S574 VanDerWaalsContact O-CB 3.3Å; N570-S574 WeakPolarHBondContact O-CB 3.42Å; N570-S574 PolarHBondContact O-N 3Å; N570-S574 PolarHBondContact O-OG 2.99Å; N570-S574 VanDerWaalsContact O-OG 3.12Å
571F95.4Very high93.5Very high7 Ų730 Ų303%0.03115%0.152CC..Hα-helixtrans-61.3-49.2-174.1179-88.8000113D31 F505 I509 N557 A560 Y561 I564 T573 S574 A575D31-F571 PolarHBondContact OD2-N 3.49Å; F505-F571 HydrophobicContact CD1-CB 3.85Å; F505-F571 AromaticContact CD1-CD1 3.4Å; F505-F571 HydrophobicContact CD1-CD1 3.4Å; F505-F571 VanDerWaalsContact CD1-CD1 3.4Å; F505-F571 HydrophobicContact CD1-CE1 4.14Å; F505-F571 AromaticContact CD1-CG 3.75Å; F505-F571 HydrophobicContact CD1-CG 3.75Å; F505-F571 AromaticContact CE1-CD1 3.62Å; F505-F571 HydrophobicContact CE1-CD1 3.62Å; F505-F571 HydrophobicContact CE1-CE1 4.18Å; F505-F571 HydrophobicContact CE1-CG 4.4Å; I509-F571 HydrophobicContact CD1-CE1 4Å; N557-F571 VanDerWaalsContact OD1-CZ 3.23Å; N557-F571 WeakPolarHBondContact OD1-CZ 3.34Å; A560-F571 HydrophobicContact CB-CD2 4.34Å; A560-F571 HydrophobicContact CB-CE2 3.93Å; A560-F571 HydrophobicContact CB-CZ 4.34Å; Y561-F571 HydrophobicContact CE1-CD2 4.07Å; Y561-F571 AromaticContact CE1-CE2 3.91Å; Y561-F571 HydrophobicContact CE1-CE2 3.91Å; I564-F571 HydrophobicContact CD1-CB 4.49Å; I564-F571 HydrophobicContact CD1-CD2 4.16Å; F571-T573 PolarHBondContact O-N 2.85Å; F571-S574 PolarHBondContact O-N 3.31Å; F571-A575 HydrophobicContact CE1-CB 4.22Å; F571-A575 HydrophobicContact CZ-CB 4.49Å; F571-A575 VanDerWaalsContact O-CB 3.25Å; F571-A575 WeakPolarHBondContact O-CB 3.33Å; F571-A575 PolarHBondContact O-N 3.15Å
572C94.4Very high93.1Very high73 Ų7330.1 Ų30.149%0.49315%0.153SC..Hα-helixtrans-64.2-42.9-175.9-68.70000112.2N570 A575 R576N570-C572 PolarHBondContact OD1-N 3.31Å; C572-A575 PolarHBondContact O-N 3Å; C572-R576 WeakPolarHBondContact O-CB 3.46Å; C572-R576 PolarHBondContact O-N 3.27Å
573T93.6Very high92.7Very high57 Ų5732.5 Ų32.535%0.3517%0.165SC..Hα-helixtrans-63.3-45.7175.5-62.50000110.8N570 F571 R576 N577N570-T573 WeakPolarHBondContact OD1-CB 3.34Å; N570-T573 PolarHBondContact OD1-N 3.23Å; N570-T573 PolarHBondContact OD1-OG1 3.27Å; F571-T573 PolarHBondContact O-N 2.85Å; T573-R576 PolarHBondContact O-N 3.05Å; T573-N577 WeakPolarHBondContact O-CB 3.47Å; T573-N577 PolarHBondContact O-N 3.45Å; T573-N577 PolarHBondContact O-ND2 3.35Å; T573-N577 PolarHBondContact O-OD1 3.17Å
574S95.4Very high92.4Very high0 Ų033.6 Ų33.60%017%0.169CC..Hα-helixtrans-63.3-43.3177.8-73.60000112.9A560 I564 T569 N570 F571 N577 A578A560-S574 WeakPolarHBondContact O-CB 3.32Å; I564-S574 VanDerWaalsContact CG1-OG 3.26Å; I564-S574 WeakPolarHBondContact CG1-OG 3.27Å; I564-S574 PolarHBondContact N-OG 3Å; T569-S574 PolarHBondContact OG1-OG 3.32Å; N570-S574 VanDerWaalsContact O-CB 3.3Å; N570-S574 WeakPolarHBondContact O-CB 3.42Å; N570-S574 PolarHBondContact O-N 3Å; N570-S574 PolarHBondContact O-OG 2.99Å; N570-S574 VanDerWaalsContact O-OG 3.12Å; F571-S574 PolarHBondContact O-N 3.31Å; S574-N577 PolarHBondContact O-N 3.1Å; S574-A578 VanDerWaalsContact O-CB 3.23Å; S574-A578 WeakPolarHBondContact O-CB 3.32Å; S574-A578 PolarHBondContact O-N 3.24Å
575A94.8Very high91.9Very high8 Ų835 Ų357%0.06618%0.177CC..Hα-helixtrans-63.2-44.3177.500000111.6L556 A560 F571 C572 F579L556-A575 HydrophobicContact CD1-CB 4.18Å; L556-A575 HydrophobicContact CD2-CB 4.49Å; L556-A575 HydrophobicContact CG-CB 4.23Å; A560-A575 HydrophobicContact CB-CB 3.73Å; F571-A575 HydrophobicContact CE1-CB 4.22Å; F571-A575 HydrophobicContact CZ-CB 4.49Å; F571-A575 VanDerWaalsContact O-CB 3.25Å; F571-A575 WeakPolarHBondContact O-CB 3.33Å; F571-A575 PolarHBondContact O-N 3.15Å; C572-A575 PolarHBondContact O-N 3Å; A575-F579 VanDerWaalsContact O-CB 3.23Å; A575-F579 WeakPolarHBondContact O-CB 3.37Å; A575-F579 PolarHBondContact O-N 3.27Å
576R93.7Very high91.4Very high166 Ų16638.2 Ų38.263%0.62619%0.192SC*.Hα-helixtrans-60.6-49.4175.4179.3-177.9173.2178.91.6111.6C572 T573 F579 F580C572-R576 WeakPolarHBondContact O-CB 3.46Å; C572-R576 PolarHBondContact O-N 3.27Å; T573-R576 PolarHBondContact O-N 3.05Å; R576-F579 PolarHBondContact O-N 2.99Å; R576-F580 HydrophobicContact CG-CD2 3.84Å; R576-F580 HydrophobicContact CG-CE2 3.69Å; R576-F580 PolarHBondContact O-N 3.31Å
577N91.4Very high90.8Very high42 Ų4243 Ų4323%0.22522%0.217CC..Hα-helixtrans-64.7-43.9-178.3-67.5-7000111.2M563 T573 S574 L581M563-N577 HydrophobicContact CE-CB 3.87Å; T573-N577 WeakPolarHBondContact O-CB 3.47Å; T573-N577 PolarHBondContact O-N 3.45Å; T573-N577 PolarHBondContact O-ND2 3.35Å; T573-N577 PolarHBondContact O-OD1 3.17Å; S574-N577 PolarHBondContact O-N 3.1Å; N577-L581 VanDerWaalsContact O-CB 3.3Å; N577-L581 WeakPolarHBondContact O-CB 3.18Å; N577-L581 PolarHBondContact O-N 3.39Å
578A93.1Very high90.4Very high0 Ų045.5 Ų45.50%023%0.226CC..Hα-helixtrans-58.6-50.5174.700000111.4N559 M563 S574 F580 L581 L582N559-A578 HydrophobicContact CB-CB 3.92Å; M563-A578 HydrophobicContact CG-CB 3.61Å; S574-A578 VanDerWaalsContact O-CB 3.23Å; S574-A578 WeakPolarHBondContact O-CB 3.32Å; S574-A578 PolarHBondContact O-N 3.24Å; A578-F580 PolarHBondContact O-N 3.29Å; A578-L581 PolarHBondContact O-N 3.35Å; A578-L582 WeakPolarHBondContact O-CB 3.33Å; A578-L582 WeakPolarHBondContact O-CG 3.37Å; A578-L582 PolarHBondContact O-N 3.06Å
579F91.9Very high90.1Very high52 Ų5245.7 Ų45.723%0.22823%0.225CC..Hα-helixtrans-59.8-46.9-178.2179-98.4000112F552 L556 A575 R576 L582 M583F552-F579 HydrophobicContact CE2-CE2 4.39Å; F552-F579 HydrophobicContact CZ-CE2 4.34Å; L556-F579 HydrophobicContact CD1-CB 4.16Å; L556-F579 HydrophobicContact CD1-CD2 4.43Å; A575-F579 VanDerWaalsContact O-CB 3.23Å; A575-F579 WeakPolarHBondContact O-CB 3.37Å; A575-F579 PolarHBondContact O-N 3.27Å; R576-F579 PolarHBondContact O-N 2.99Å; F579-L582 PolarHBondContact O-N 3.1Å; F579-M583 HydrophobicContact CD1-CG 4.21Å; F579-M583 HydrophobicContact CD2-CE 4.34Å; F579-M583 HydrophobicContact CD2-CG 4.38Å; F579-M583 HydrophobicContact CE1-CG 3.81Å; F579-M583 HydrophobicContact CE2-CE 3.38Å; F579-M583 HydrophobicContact CE2-CG 4.01Å; F579-M583 HydrophobicContact CG-CG 4.48Å; F579-M583 HydrophobicContact CZ-CE 3.49Å; F579-M583 VanDerWaalsContact CZ-CE 3.49Å; F579-M583 HydrophobicContact CZ-CG 3.71Å; F579-M583 HydrophobicContact CZ-SD 4.36Å; F579-M583 WeakPolarHBondContact O-CB 3.39Å; F579-M583 WeakPolarHBondContact O-CG 3.48Å; F579-M583 PolarHBondContact O-N 3.29Å
580F90.6Very high89.6Confident57 Ų5745.8 Ų45.825%0.2523%0.231CC..Hα-helixtrans-68.4-37.4178.8-74.7-25.4000113.5Y10 R576 A578 L582 R584Y10-F580 HydrophobicContact CD1-CD1 4.37Å; Y10-F580 VanDerWaalsContact O-CB 3.3Å; Y10-F580 WeakPolarHBondContact O-CB 3.36Å; Y10-F580 WeakPolarHBondContact O-CG 3.48Å; R576-F580 HydrophobicContact CG-CD2 3.84Å; R576-F580 HydrophobicContact CG-CE2 3.69Å; R576-F580 PolarHBondContact O-N 3.31Å; A578-F580 PolarHBondContact O-N 3.29Å; F580-L582 VanDerWaalsContact C-N 3.33Å; F580-L582 PolarHBondContact O-N 2.75Å; F580-R584 VanDerWaalsContact O-CG 3.3Å; F580-R584 WeakPolarHBondContact O-CG 3.48Å; F580-R584 PolarHBondContact O-N 3.49Å; F580-R584 PolarHBondContact O-NE 2.95Å
581L89.4Confident88.8Confident4 Ų444.1 Ų44.12%0.02122%0.223CC..Hα-helixtrans-60.6-43.6172.8-177.964.1000111.8N577 A578 N585 L667 L670 E671 E674N577-L581 VanDerWaalsContact O-CB 3.3Å; N577-L581 WeakPolarHBondContact O-CB 3.18Å; N577-L581 PolarHBondContact O-N 3.39Å; A578-L581 PolarHBondContact O-N 3.35Å; L581-N585 PolarHBondContact O-N 3.28Å; L581-N585 PolarHBondContact O-ND2 2.83Å; L581-L667 HydrophobicContact CD2-CD1 4.04Å; L581-L667 HydrophobicContact CD2-CG 4Å; L581-L670 HydrophobicContact CD1-CB 4.14Å; L581-L670 HydrophobicContact CD2-CB 4.3Å; L581-L670 HydrophobicContact CG-CB 4.21Å; L581-E671 HydrophobicContact CD2-CB 4.27Å; L581-E674 WeakPolarHBondContact CD1-OE1 3.45Å
582L89.8Confident88.2Confident6 Ų644.3 Ų44.33%0.03122%0.224CC..Hα-helixtrans-71.3-41.8-180-65.8170.6000112.2F555 N559 A578 F579 F580 R584 N585 I586 V589 L667 L670F555-L582 HydrophobicContact CE1-CD1 4.33Å; F555-L582 HydrophobicContact CZ-CD1 3.85Å; N559-L582 HydrophobicContact CB-CD1 3.82Å; N559-L582 VanDerWaalsContact CG-CD1 3.4Å; A578-L582 WeakPolarHBondContact O-CB 3.33Å; A578-L582 WeakPolarHBondContact O-CG 3.37Å; A578-L582 PolarHBondContact O-N 3.06Å; F579-L582 PolarHBondContact O-N 3.1Å; F580-L582 VanDerWaalsContact C-N 3.33Å; F580-L582 PolarHBondContact O-N 2.75Å; L582-R584 VanDerWaalsContact C-N 3.34Å; L582-R584 PolarHBondContact O-N 3.26Å; L582-N585 CarbonylContact O-C 3.54Å; L582-N585 PolarHBondContact O-N 3.46Å; L582-I586 VanDerWaalsContact O-CA 3.27Å; L582-I586 WeakPolarHBondContact O-CA 3.28Å; L582-I586 PolarHBondContact O-N 3.1Å; L582-V589 HydrophobicContact CB-CG2 4.27Å; L582-V589 HydrophobicContact CD2-CB 4.36Å; L582-V589 HydrophobicContact CD2-CG1 3.85Å; L582-V589 HydrophobicContact CD2-CG2 3.53Å; L582-L667 HydrophobicContact CD1-CD1 4.43Å; L582-L667 HydrophobicContact CD2-CD1 3.63Å; L582-L667 HydrophobicContact CG-CD1 4.04Å; L582-L670 HydrophobicContact CD2-CD1 4.23Å
583M87.8Confident87.7Confident50 Ų5042.8 Ų42.825%0.24621%0.211CC..Hα-helixtrans-64.1-37.1179.8-79.6-62.9175.100112.6Y10 F579 N585 I586Y10-M583 HydrophobicContact CD1-CB 3.62Å; Y10-M583 HydrophobicContact CD1-CG 4.11Å; Y10-M583 HydrophobicContact CD2-CB 4.47Å; Y10-M583 HydrophobicContact CE1-CB 3.93Å; Y10-M583 HydrophobicContact CE1-CG 4.08Å; Y10-M583 HydrophobicContact CE1-SD 4.48Å; Y10-M583 HydrophobicContact CG-CB 3.91Å; F579-M583 HydrophobicContact CD1-CG 4.21Å; F579-M583 HydrophobicContact CD2-CE 4.34Å; F579-M583 HydrophobicContact CD2-CG 4.38Å; F579-M583 HydrophobicContact CE1-CG 3.81Å; F579-M583 HydrophobicContact CE2-CE 3.38Å; F579-M583 HydrophobicContact CE2-CG 4.01Å; F579-M583 HydrophobicContact CG-CG 4.48Å; F579-M583 HydrophobicContact CZ-CE 3.49Å; F579-M583 VanDerWaalsContact CZ-CE 3.49Å; F579-M583 HydrophobicContact CZ-CG 3.71Å; F579-M583 HydrophobicContact CZ-SD 4.36Å; F579-M583 WeakPolarHBondContact O-CB 3.39Å; F579-M583 WeakPolarHBondContact O-CG 3.48Å; F579-M583 PolarHBondContact O-N 3.29Å; M583-N585 PolarHBondContact O-N 2.81Å; M583-I586 HydrophobicContact CE-CD1 4.39Å; M583-I586 WeakPolarHBondContact O-CB 3.34Å; M583-I586 PolarHBondContact O-N 2.79Å; M583-I586 HydrophobicContact SD-CD1 3.86Å; M583-I586 HydrophobicContact SD-CG1 4.46Å
584R86.8Confident87.2Confident26 Ų2646.7 Ų46.710%0.09822%0.223CC..Hα-helixtrans-64.5-27.9174.2-69.5176.8-63.3136-2.9112.4G11 F580 L582 E674G11-R584 WeakPolarHBondContact O-CD 3.45Å; F580-R584 VanDerWaalsContact O-CG 3.3Å; F580-R584 WeakPolarHBondContact O-CG 3.48Å; F580-R584 PolarHBondContact O-N 3.49Å; F580-R584 PolarHBondContact O-NE 2.95Å; L582-R584 VanDerWaalsContact C-N 3.34Å; L582-R584 PolarHBondContact O-N 3.26Å; R584-E674 IonicContact CZ-OE1 3.11Å; R584-E674 IonicContact CZ-OE2 3.22Å; R584-E674 VanDerWaalsContact CZ-OE2 3.22Å; R584-E674 IonicContact NH1-OE1 3.08Å; R584-E674 PolarHBondContact NH1-OE1 3.01Å; R584-E674 IonicContact NH1-OE2 3.39Å; R584-E674 PolarHBondContact NH1-OE2 3.4Å; R584-E674 IonicContact NH2-OE1 3.14Å; R584-E674 PolarHBondContact NH2-OE1 3.36Å; R584-E674 VanDerWaalsContact NH2-OE1 3.14Å; R584-E674 IonicContact NH2-OE2 2.75Å; R584-E674 PolarHBondContact NH2-OE2 2.98Å
585N85.4Confident86.6Confident29 Ų2947.4 Ų47.416%0.15523%0.227CC..THydrogen-bonded Turntrans-112.323.9179.9-69.5-80.6000113.7L581 L582 M583 I587 R588 V589 L670L581-N585 PolarHBondContact O-N 3.28Å; L581-N585 PolarHBondContact O-ND2 2.83Å; L582-N585 CarbonylContact O-C 3.54Å; L582-N585 PolarHBondContact O-N 3.46Å; M583-N585 PolarHBondContact O-N 2.81Å; N585-I587 VanDerWaalsContact C-N 3.3Å; N585-I587 PolarHBondContact O-N 2.8Å; N585-I587 VanDerWaalsContact O-N 3.08Å; N585-R588 WeakPolarHBondContact O-CA 3.29Å; N585-R588 WeakPolarHBondContact O-CB 3.45Å; N585-R588 PolarHBondContact O-N 2.85Å; N585-V589 HydrophobicContact CB-CG2 4.24Å; N585-V589 WeakPolarHBondContact O-CG2 3.5Å; N585-V589 PolarHBondContact O-N 3.47Å; N585-L670 HydrophobicContact CB-CD1 4.02Å; N585-L670 HydrophobicContact CB-CD2 3.92Å
586I84.9Confident86.1Confident72 Ų7247.1 Ų47.137%0.36923%0.225SC..Hα-helixtrans-52.2-41.2-165.6-17070.1000114.2L582 M583 R588 V589 A590L582-I586 VanDerWaalsContact O-CA 3.27Å; L582-I586 WeakPolarHBondContact O-CA 3.28Å; L582-I586 PolarHBondContact O-N 3.1Å; M583-I586 HydrophobicContact CE-CD1 4.39Å; M583-I586 WeakPolarHBondContact O-CB 3.34Å; M583-I586 PolarHBondContact O-N 2.79Å; M583-I586 HydrophobicContact SD-CD1 3.86Å; M583-I586 HydrophobicContact SD-CG1 4.46Å; I586-R588 PolarHBondContact O-N 3.18Å; I586-V589 PolarHBondContact O-N 3.12Å; I586-A590 VanDerWaalsContact O-CB 3.27Å; I586-A590 WeakPolarHBondContact O-CB 3.43Å; I586-A590 PolarHBondContact O-N 3.35Å
587I80.9Confident85.8Confident100 Ų10043.1 Ų43.151%0.51322%0.216SC..Hα-helixtrans-65.7-41.2179.8-60.3173.6000110.8N585 V591N585-I587 VanDerWaalsContact C-N 3.3Å; N585-I587 PolarHBondContact O-N 2.8Å; N585-I587 VanDerWaalsContact O-N 3.08Å; I587-V591 WeakPolarHBondContact O-CB 3.17Å; I587-V591 VanDerWaalsContact O-CG2 3.26Å; I587-V591 WeakPolarHBondContact O-CG2 3.46Å; I587-V591 PolarHBondContact O-N 3.19Å
588R81.8Confident85.4Confident92 Ų9244.6 Ų44.635%0.34722%0.22SC..Hα-helixtrans-68-42.6178.9-62.4-175.2-176.7-169.11.7110.4N585 I586 L592 F666N585-R588 WeakPolarHBondContact O-CA 3.29Å; N585-R588 WeakPolarHBondContact O-CB 3.45Å; N585-R588 PolarHBondContact O-N 2.85Å; I586-R588 PolarHBondContact O-N 3.18Å; R588-L592 WeakPolarHBondContact O-CB 3.02Å; R588-L592 PolarHBondContact O-N 3.02Å; R588-F666 HydrophobicContact CB-CZ 4.35Å
589V84.3Confident85Confident13 Ų1344.9 Ų44.98%0.07922%0.222CC..Hα-helixtrans-62-56.5178.4177.90000110.4L582 N585 I586 V591 L592 D593 F666 L670L582-V589 HydrophobicContact CB-CG2 4.27Å; L582-V589 HydrophobicContact CD2-CB 4.36Å; L582-V589 HydrophobicContact CD2-CG1 3.85Å; L582-V589 HydrophobicContact CD2-CG2 3.53Å; N585-V589 HydrophobicContact CB-CG2 4.24Å; N585-V589 WeakPolarHBondContact O-CG2 3.5Å; N585-V589 PolarHBondContact O-N 3.47Å; I586-V589 PolarHBondContact O-N 3.12Å; V589-V591 VanDerWaalsContact C-N 3.35Å; V589-V591 PolarHBondContact O-N 3.2Å; V589-L592 PolarHBondContact O-N 2.82Å; V589-D593 WeakPolarHBondContact O-CB 3.36Å; V589-D593 PolarHBondContact O-N 3.48Å; V589-F666 HydrophobicContact CB-CE1 4.1Å; V589-F666 HydrophobicContact CB-CZ 4.48Å; V589-F666 HydrophobicContact CG1-CE1 4.35Å; V589-F666 HydrophobicContact CG2-CE1 3.72Å; V589-F666 HydrophobicContact CG2-CZ 4.05Å; V589-L670 HydrophobicContact CG2-CD1 4Å
590A81.5Confident84.8Confident48 Ų4843 Ų4340%0.39721%0.213SC..Hα-helixtrans-61.5-41.8-17500000112.3I586 K594I586-A590 VanDerWaalsContact O-CB 3.27Å; I586-A590 WeakPolarHBondContact O-CB 3.43Å; I586-A590 PolarHBondContact O-N 3.35Å; A590-K594 WeakPolarHBondContact O-CB 3.47Å; A590-K594 WeakPolarHBondContact O-CG 3.29Å; A590-K594 PolarHBondContact O-N 3.15Å
591V78.8Confident84.7Confident25 Ų2544.1 Ų44.115%0.15222%0.222CC..Hα-helixtrans-68-43.9177.8174.30000111.3L334 R337 I587 V589 V595L334-V591 HydrophobicContact CB-CG1 4.46Å; L334-V591 HydrophobicContact CD1-CG1 4.22Å; L334-V591 HydrophobicContact CD2-CG1 3.76Å; L334-V591 HydrophobicContact CD2-CG2 3.91Å; L334-V591 HydrophobicContact CG-CG1 4.36Å; R337-V591 HydrophobicContact CB-CB 4.41Å; R337-V591 HydrophobicContact CB-CG1 3.36Å; R337-V591 HydrophobicContact CG-CB 4.43Å; R337-V591 HydrophobicContact CG-CG1 3.76Å; I587-V591 WeakPolarHBondContact O-CB 3.17Å; I587-V591 VanDerWaalsContact O-CG2 3.26Å; I587-V591 WeakPolarHBondContact O-CG2 3.46Å; I587-V591 PolarHBondContact O-N 3.19Å; V589-V591 VanDerWaalsContact C-N 3.35Å; V589-V591 PolarHBondContact O-N 3.2Å; V591-V595 HydrophobicContact CG1-CG2 4.25Å; V591-V595 WeakPolarHBondContact O-CB 3.12Å; V591-V595 VanDerWaalsContact O-CG2 3.26Å; V591-V595 WeakPolarHBondContact O-CG2 3.44Å; V591-V595 PolarHBondContact O-N 2.98Å
592L82.9Confident84.4Confident10 Ų1044.7 Ų44.75%0.05223%0.225CC..Hα-helixtrans-62.1-50.8-179-179.2135.6000111.2L344 R588 V589 K594 V595 T596 V662 F666L344-L592 HydrophobicContact CD1-CD1 3.22Å; R588-L592 WeakPolarHBondContact O-CB 3.02Å; R588-L592 PolarHBondContact O-N 3.02Å; V589-L592 PolarHBondContact O-N 2.82Å; L592-K594 VanDerWaalsContact C-N 3.33Å; L592-K594 PolarHBondContact O-N 3.49Å; L592-V595 PolarHBondContact O-N 3.04Å; L592-T596 HydrophobicContact CD2-CG2 4.18Å; L592-T596 HydrophobicContact CG-CG2 4.24Å; L592-T596 WeakPolarHBondContact O-CG2 3.3Å; L592-T596 PolarHBondContact O-N 3.35Å; L592-T596 PolarHBondContact O-OG1 3.27Å; L592-V662 HydrophobicContact CD2-CG1 4.21Å; L592-F666 HydrophobicContact CB-CZ 4.45Å; L592-F666 HydrophobicContact CD1-CD2 3.7Å; L592-F666 HydrophobicContact CD1-CE2 3.86Å; L592-F666 HydrophobicContact CD1-CG 4.2Å; L592-F666 HydrophobicContact CD1-CZ 4.46Å; L592-F666 HydrophobicContact CD2-CB 4.38Å; L592-F666 HydrophobicContact CD2-CD1 4.04Å; L592-F666 HydrophobicContact CD2-CD2 4.32Å; L592-F666 HydrophobicContact CD2-CE1 4.38Å; L592-F666 HydrophobicContact CD2-CG 3.99Å
593D83.3Confident84.4Confident42 Ų4244.4 Ų44.423%0.22522%0.223CC..Hα-helixtrans-54.2-47.9179.4-176.567000111.3V589 V595 T596 D597V589-D593 WeakPolarHBondContact O-CB 3.36Å; V589-D593 PolarHBondContact O-N 3.48Å; D593-V595 PolarHBondContact O-N 2.93Å; D593-T596 WeakPolarHBondContact CA-OG1 3.41Å; D593-T596 PolarHBondContact O-N 2.99Å; D593-T596 PolarHBondContact O-OG1 3.39Å; D593-D597 VanDerWaalsContact O-CB 3.31Å; D593-D597 WeakPolarHBondContact O-CB 3.37Å; D593-D597 PolarHBondContact O-N 2.91Å
594K83.1Confident84.6Confident139 Ų13943.4 Ų43.460%0.60422%0.217SC*.Hα-helixtrans-65.4-40.2178.4-65.6-64.3175.3-169.60113.5A590 L592 F598A590-K594 WeakPolarHBondContact O-CB 3.47Å; A590-K594 WeakPolarHBondContact O-CG 3.29Å; A590-K594 PolarHBondContact O-N 3.15Å; L592-K594 VanDerWaalsContact C-N 3.33Å; L592-K594 PolarHBondContact O-N 3.49Å; K594-F598 WeakPolarHBondContact O-CB 3.49Å; K594-F598 PolarHBondContact O-N 3.22Å
595V82.7Confident84.7Confident15 Ų1546.9 Ų46.99%0.09124%0.237CC..Hα-helixtrans-67.7-45.2177.7170.60000110.3L334 I338 A341 V591 L592 D593 F598 L599L334-V595 HydrophobicContact CD1-CG2 4.42Å; I338-V595 HydrophobicContact CG1-CG1 4.13Å; I338-V595 HydrophobicContact CG1-CG2 3.99Å; A341-V595 HydrophobicContact CB-CB 4.37Å; A341-V595 HydrophobicContact CB-CG1 3.78Å; V591-V595 HydrophobicContact CG1-CG2 4.25Å; V591-V595 WeakPolarHBondContact O-CB 3.12Å; V591-V595 VanDerWaalsContact O-CG2 3.26Å; V591-V595 WeakPolarHBondContact O-CG2 3.44Å; V591-V595 PolarHBondContact O-N 2.98Å; L592-V595 PolarHBondContact O-N 3.04Å; D593-V595 PolarHBondContact O-N 2.93Å; V595-F598 PolarHBondContact O-N 2.93Å; V595-L599 HydrophobicContact CG1-CD1 3.88Å; V595-L599 HydrophobicContact CG1-CG 4.37Å; V595-L599 VanDerWaalsContact O-CG 3.23Å; V595-L599 WeakPolarHBondContact O-CG 3.32Å; V595-L599 PolarHBondContact O-N 3.18Å
596T85Confident84.9Confident2 Ų248.3 Ų48.31%0.01225%0.245CC..Hα-helixtrans-64.6-42.5179.849.60000111.6I345 L592 D593 F598 L599 F600 V662I345-T596 HydrophobicContact CD1-CG2 4.27Å; I345-T596 HydrophobicContact CG1-CG2 4.4Å; L592-T596 HydrophobicContact CD2-CG2 4.18Å; L592-T596 HydrophobicContact CG-CG2 4.24Å; L592-T596 WeakPolarHBondContact O-CG2 3.3Å; L592-T596 PolarHBondContact O-N 3.35Å; L592-T596 PolarHBondContact O-OG1 3.27Å; D593-T596 WeakPolarHBondContact CA-OG1 3.41Å; D593-T596 PolarHBondContact O-N 2.99Å; D593-T596 PolarHBondContact O-OG1 3.39Å; T596-F598 PolarHBondContact O-N 3.36Å; T596-L599 PolarHBondContact O-N 2.96Å; T596-F600 VanDerWaalsContact O-CD2 3.27Å; T596-F600 WeakPolarHBondContact O-CD2 3.24Å; T596-F600 WeakPolarHBondContact O-CG 3.3Å; T596-F600 PolarHBondContact O-N 2.89Å; T596-V662 HydrophobicContact CG2-CG1 3.87Å
597D86.3Confident85.3Confident81 Ų8145 Ų4543%0.43323%0.228SC..Hα-helixtrans-61.4-44.9176.1-85.3-5.8000112D593 F600 L601D593-D597 VanDerWaalsContact O-CB 3.31Å; D593-D597 WeakPolarHBondContact O-CB 3.37Å; D593-D597 PolarHBondContact O-N 2.91Å; D597-F600 PolarHBondContact O-N 3.49Å; D597-L601 WeakPolarHBondContact O-CB 3.35Å; D597-L601 PolarHBondContact O-N 3.47Å
598F83.6Confident85.9Confident73 Ų7341 Ų4132%0.3221%0.208SC..Hα-helixtrans-61.4-45.6176.8176.1-103.6000111.9K594 V595 T596 L601 L602K594-F598 WeakPolarHBondContact O-CB 3.49Å; K594-F598 PolarHBondContact O-N 3.22Å; V595-F598 PolarHBondContact O-N 2.93Å; T596-F598 PolarHBondContact O-N 3.36Å; F598-L601 WeakPolarHBondContact O-CB 3.45Å; F598-L601 PolarHBondContact O-N 3.21Å; F598-L602 HydrophobicContact CE1-CD2 4.37Å; F598-L602 HydrophobicContact CZ-CD2 4.44Å; F598-L602 PolarHBondContact O-N 2.93Å
599L83.3Confident86.3Confident7 Ų738.1 Ų38.14%0.03721%0.207CC..Hα-helixtrans-65.7-40.6179.2-67.4175.2000112.3V259 M262 I345 V595 T596 L602 G603V259-L599 HydrophobicContact CB-CD2 4.36Å; V259-L599 HydrophobicContact CG1-CD1 4.08Å; V259-L599 HydrophobicContact CG1-CD2 3.72Å; V259-L599 HydrophobicContact CG2-CD1 3.82Å; V259-L599 HydrophobicContact CG2-CD2 4.06Å; M262-L599 HydrophobicContact CE-CD2 4.36Å; I345-L599 HydrophobicContact CD1-CD1 3.68Å; V595-L599 HydrophobicContact CG1-CD1 3.88Å; V595-L599 HydrophobicContact CG1-CG 4.37Å; V595-L599 VanDerWaalsContact O-CG 3.23Å; V595-L599 WeakPolarHBondContact O-CG 3.32Å; V595-L599 PolarHBondContact O-N 3.18Å; T596-L599 PolarHBondContact O-N 2.96Å; L599-L602 PolarHBondContact O-N 2.01Å; L599-G603 PolarHBondContact O-N 3.47Å
600F88.1Confident86.6Confident11 Ų1139.7 Ų39.75%0.04822%0.219CC..Hα-helixtrans-69.8-33.6175.4-61.4-25.3000112.3T596 D597 K604 F655 Y658 V662T596-F600 VanDerWaalsContact O-CD2 3.27Å; T596-F600 WeakPolarHBondContact O-CD2 3.24Å; T596-F600 WeakPolarHBondContact O-CG 3.3Å; T596-F600 PolarHBondContact O-N 2.89Å; D597-F600 PolarHBondContact O-N 3.49Å; F600-K604 WeakPolarHBondContact O-CD 3.04Å; F600-K604 WeakPolarHBondContact O-CG 3.31Å; F600-K604 PolarHBondContact O-N 2.84Å; F600-F655 HydrophobicContact CB-CB 4.39Å; F600-F655 HydrophobicContact CB-CD1 3.83Å; F600-F655 HydrophobicContact CB-CE1 4.4Å; F600-F655 HydrophobicContact CB-CG 4.24Å; F600-F655 AromaticContact CD1-CD1 3.49Å; F600-F655 HydrophobicContact CD1-CD1 3.49Å; F600-F655 VanDerWaalsContact CD1-CD1 3.49Å; F600-F655 AromaticContact CD1-CE1 3.81Å; F600-F655 HydrophobicContact CD1-CE1 3.81Å; F600-F655 HydrophobicContact CE1-CD1 4.3Å; F600-F655 AromaticContact CG-CD1 3.77Å; F600-F655 HydrophobicContact CG-CD1 3.77Å; F600-F655 HydrophobicContact CG-CE1 4.42Å; F600-Y658 AromaticContact CE1-CD1 3.52Å; F600-Y658 HydrophobicContact CE1-CD1 3.52Å; F600-Y658 AromaticContact CE1-CE1 3.85Å; F600-Y658 HydrophobicContact CE1-CE1 3.85Å; F600-Y658 HydrophobicContact CE1-CG 4.38Å; F600-Y658 HydrophobicContact CE2-CD1 4.28Å; F600-Y658 AromaticContact CZ-CD1 3.31Å; F600-Y658 HydrophobicContact CZ-CD1 3.31Å; F600-Y658 AromaticContact CZ-CE1 3.81Å; F600-Y658 HydrophobicContact CZ-CE1 3.81Å; F600-Y658 HydrophobicContact CZ-CG 4.33Å; F600-V662 HydrophobicContact CZ-CG2 4.12Å
601L88.1Confident87.2Confident82 Ų8237.6 Ų37.643%0.42920%0.201SC..Hα-helixtrans-60.6-47.9172.1177.165000110.7D597 F598 G603 K604 L605D597-L601 WeakPolarHBondContact O-CB 3.35Å; D597-L601 PolarHBondContact O-N 3.47Å; F598-L601 WeakPolarHBondContact O-CB 3.45Å; F598-L601 PolarHBondContact O-N 3.21Å; L601-G603 PolarHBondContact O-N 3.32Å; L601-K604 WeakPolarHBondContact O-CB 3.08Å; L601-K604 PolarHBondContact O-N 3.41Å; L601-L605 HydrophobicContact CD1-CD1 4.43Å; L601-L605 HydrophobicContact CD1-CG 4.39Å; L601-L605 HydrophobicContact CG-CD1 4.23Å; L601-L605 WeakPolarHBondContact O-CG 3.37Å; L601-L605 PolarHBondContact O-N 3.17Å
602L84.8Confident87.8Confident15 Ų1536.8 Ų36.88%0.07920%0.198CC..Hα-helixtrans-64.6-41.3-179.5-173.349.1000112.3M262 V266 F598 L599 K604 L605 L606M262-L602 HydrophobicContact CB-CD2 3.55Å; M262-L602 HydrophobicContact CB-CG 4.09Å; M262-L602 HydrophobicContact CG-CD2 4.3Å; M262-L602 HydrophobicContact CG-CG 4.31Å; M262-L602 HydrophobicContact SD-CD2 4.45Å; M262-L602 HydrophobicContact SD-CG 4.13Å; V266-L602 HydrophobicContact CG2-CD1 3.5Å; V266-L602 HydrophobicContact CG2-CD2 3.48Å; V266-L602 VanDerWaalsContact CG2-CD2 3.48Å; V266-L602 HydrophobicContact CG2-CG 4.16Å; F598-L602 HydrophobicContact CE1-CD2 4.37Å; F598-L602 HydrophobicContact CZ-CD2 4.44Å; F598-L602 PolarHBondContact O-N 2.93Å; L599-L602 PolarHBondContact O-N 2.01Å; L602-K604 PolarHBondContact O-N 3.45Å; L602-L605 PolarHBondContact O-N 3.31Å; L602-L606 WeakPolarHBondContact O-CB 3.44Å; L602-L606 PolarHBondContact O-N 3.03Å
603G88.6Confident88.2Confident0 Ų041 Ų410%022%0.219CC..Hα-helixtrans-59.4-42.6172.200000112.9L599 L601 L606 I607L599-G603 PolarHBondContact O-N 3.47Å; L601-G603 PolarHBondContact O-N 3.32Å; G603-L606 PolarHBondContact O-N 2.89Å; G603-I607 WeakPolarHBondContact O-CD1 3.11Å; G603-I607 WeakPolarHBondContact O-CG1 3.34Å; G603-I607 PolarHBondContact O-N 3.17Å; G603-I607 VanDerWaalsContact O-N 3.12Å
604K91.9Very high88.5Confident29 Ų2943.6 Ų43.613%0.12623%0.233CC..Hα-helixtrans-62.1-47.6174.5-68.7162.3-165.8172.80111.3F600 L601 L602 L606 I607 V608 A651 F655F600-K604 WeakPolarHBondContact O-CD 3.04Å; F600-K604 WeakPolarHBondContact O-CG 3.31Å; F600-K604 PolarHBondContact O-N 2.84Å; L601-K604 WeakPolarHBondContact O-CB 3.08Å; L601-K604 PolarHBondContact O-N 3.41Å; L602-K604 PolarHBondContact O-N 3.45Å; K604-L606 VanDerWaalsContact C-N 3.32Å; K604-L606 PolarHBondContact O-N 3.12Å; K604-I607 PolarHBondContact O-N 3.02Å; K604-V608 WeakPolarHBondContact O-CB 3.41Å; K604-V608 WeakPolarHBondContact O-CG2 3.47Å; K604-V608 PolarHBondContact O-N 3.08Å; K604-A651 HydrophobicContact CB-CB 4.49Å; K604-A651 HydrophobicContact CG-CB 4.19Å; K604-F655 HydrophobicContact CD-CD2 4.26Å; K604-F655 VanDerWaalsContact CE-CB 3.41Å; K604-F655 HydrophobicContact CG-CD2 3.38Å; K604-F655 HydrophobicContact CG-CE2 3.76Å; K604-F655 HydrophobicContact CG-CG 4.19Å
605L90.1Very high88.9Confident99 Ų9937.5 Ų37.552%0.51821%0.208SC..Hα-helixtrans-63.3-38.2-179.9-70.3177.7000112.2L601 L602 G609L601-L605 HydrophobicContact CD1-CD1 4.43Å; L601-L605 HydrophobicContact CD1-CG 4.39Å; L601-L605 HydrophobicContact CG-CD1 4.23Å; L601-L605 WeakPolarHBondContact O-CG 3.37Å; L601-L605 PolarHBondContact O-N 3.17Å; L602-L605 PolarHBondContact O-N 3.31Å; L605-G609 WeakPolarHBondContact O-CA 3.47Å; L605-G609 PolarHBondContact O-N 3.23Å
606L89.3Confident89.2Confident60 Ų6040.6 Ų40.631%0.31422%0.22SC..Hα-helixtrans-62.9-50.3175.9-172.4155.2000110.9L602 G603 K604 V608 G609 S610L602-L606 WeakPolarHBondContact O-CB 3.44Å; L602-L606 PolarHBondContact O-N 3.03Å; G603-L606 PolarHBondContact O-N 2.89Å; K604-L606 VanDerWaalsContact C-N 3.32Å; K604-L606 PolarHBondContact O-N 3.12Å; L606-V608 PolarHBondContact O-N 2.77Å; L606-G609 PolarHBondContact O-N 2.97Å; L606-S610 WeakPolarHBondContact O-CB 3.45Å; L606-S610 PolarHBondContact O-N 2.03Å; L606-S610 PolarHBondContact O-OG 3.42Å
607I92.3Very high89.4Confident2 Ų244.8 Ų44.81%0.0124%0.238CC..Hα-helixtrans-60.9-49.7179.2-66.6160.8000110.7M243 F247 G603 K604 S610 V611 A651 F655M243-I607 HydrophobicContact CB-CG2 4.43Å; F247-I607 HydrophobicContact CB-CD1 4.11Å; F247-I607 HydrophobicContact CG-CD1 4.21Å; G603-I607 WeakPolarHBondContact O-CD1 3.11Å; G603-I607 WeakPolarHBondContact O-CG1 3.34Å; G603-I607 PolarHBondContact O-N 3.17Å; G603-I607 VanDerWaalsContact O-N 3.12Å; K604-I607 PolarHBondContact O-N 3.02Å; I607-S610 PolarHBondContact O-N 3.43Å; I607-V611 VanDerWaalsContact O-CG2 3.3Å; I607-V611 WeakPolarHBondContact O-CG2 3.38Å; I607-V611 PolarHBondContact O-N 3.03Å; I607-A651 HydrophobicContact CD1-CB 4.35Å; I607-A651 HydrophobicContact CG2-CB 4.43Å; I607-F655 HydrophobicContact CD1-CE2 3.83Å; I607-F655 HydrophobicContact CD1-CZ 4.29Å
608V94.6Very high89.5Confident16 Ų1642.5 Ų42.510%0.09723%0.225CC..Hα-helixtrans-65.1-41.5-178.4175.10000111.5K604 L606 G612 I644 Y648K604-V608 WeakPolarHBondContact O-CB 3.41Å; K604-V608 WeakPolarHBondContact O-CG2 3.47Å; K604-V608 PolarHBondContact O-N 3.08Å; L606-V608 PolarHBondContact O-N 2.77Å; V608-G612 WeakPolarHBondContact O-CA 3.12Å; V608-G612 PolarHBondContact O-N 3.01Å; V608-I644 HydrophobicContact CG1-CB 4.44Å; V608-I644 HydrophobicContact CG1-CG2 3.7Å; V608-Y648 VanDerWaalsContact CG2-CA 3.43Å; V608-Y648 HydrophobicContact CG2-CD2 4.25Å
609G90.4Very high89.6Confident32 Ų3239.5 Ų39.533%0.3321%0.212SC..Hα-helixtrans-63.8-47.3177.300000111.9L605 L606 G612 I613L605-G609 WeakPolarHBondContact O-CA 3.47Å; L605-G609 PolarHBondContact O-N 3.23Å; L606-G609 PolarHBondContact O-N 2.97Å; G609-G612 PolarHBondContact O-N 3.49Å; G609-I613 WeakPolarHBondContact O-CB 3.06Å; G609-I613 WeakPolarHBondContact O-CD1 3.15Å; G609-I613 WeakPolarHBondContact O-CG1 3.2Å; G609-I613 PolarHBondContact O-N 3.21Å
610S91.1Very high89.7Confident45 Ų4540.8 Ų40.832%0.31522%0.22SC..Hα-helixtrans-61.2-47.2177.4-62.60000112.3L606 I607 I613 L614L606-S610 WeakPolarHBondContact O-CB 3.45Å; L606-S610 PolarHBondContact O-N 2.03Å; L606-S610 PolarHBondContact O-OG 3.42Å; I607-S610 PolarHBondContact O-N 3.43Å; S610-I613 PolarHBondContact O-N 3.29Å; S610-L614 WeakPolarHBondContact O-CG 3.48Å; S610-L614 PolarHBondContact O-N 2.05Å; S610-L614 VanDerWaalsContact O-N 3.12Å
611V93.9Very high89.4Confident4 Ų443.5 Ų43.52%0.02423%0.232CC..Hα-helixtrans-67.8-38.9178.1-179.70000111.2A240 M243 I607 L614 A615 V643 S647A240-V611 HydrophobicContact CB-CG1 4.3Å; A240-V611 HydrophobicContact CB-CG2 3.92Å; M243-V611 HydrophobicContact CE-CG2 4.4Å; M243-V611 HydrophobicContact SD-CG2 3.63Å; I607-V611 VanDerWaalsContact O-CG2 3.3Å; I607-V611 WeakPolarHBondContact O-CG2 3.38Å; I607-V611 PolarHBondContact O-N 3.03Å; V611-L614 PolarHBondContact O-N 3.05Å; V611-A615 WeakPolarHBondContact O-CB 3.43Å; V611-A615 PolarHBondContact O-N 3.32Å; V611-V643 HydrophobicContact CG1-CG1 3.61Å; V611-S647 WeakPolarHBondContact CG1-OG 3.37Å
612G91.4Very high88.9Confident8 Ų847.9 Ų47.98%0.08224%0.243CC..Hα-helixtrans-63.9-40.7177.300000113.1V608 G609 A615 F616V608-G612 WeakPolarHBondContact O-CA 3.12Å; V608-G612 PolarHBondContact O-N 3.01Å; G609-G612 PolarHBondContact O-N 3.49Å; G612-A615 PolarHBondContact O-N 3.03Å; G612-F616 WeakPolarHBondContact O-CB 3.46Å; G612-F616 PolarHBondContact O-N 3.08Å
613I90.8Very high88.5Confident100 Ų10049.8 Ų49.851%0.51325%0.253SS..Hα-helixtrans-62.9-46.7174-71.2165.8000110.2G609 S610 A615 F616 F617G609-I613 WeakPolarHBondContact O-CB 3.06Å; G609-I613 WeakPolarHBondContact O-CD1 3.15Å; G609-I613 WeakPolarHBondContact O-CG1 3.2Å; G609-I613 PolarHBondContact O-N 3.21Å; S610-I613 PolarHBondContact O-N 3.29Å; I613-A615 VanDerWaalsContact C-N 3.35Å; I613-A615 PolarHBondContact O-N 3.3Å; I613-F616 PolarHBondContact O-N 3Å; I613-F617 HydrophobicContact CG2-CD2 3.61Å; I613-F617 HydrophobicContact CG2-CE2 3.48Å; I613-F617 VanDerWaalsContact CG2-CE2 3.48Å; I613-F617 WeakPolarHBondContact O-CD2 3.06Å; I613-F617 PolarHBondContact O-N 3.2Å
614L90.3Very high87.4Confident96 Ų9660.9 Ų60.950%0.50330%0.295SS..Hα-helixtrans-59.9-44.7176.4-70.5171000111.7S610 V611 F616 F617 F618S610-L614 WeakPolarHBondContact O-CG 3.48Å; S610-L614 PolarHBondContact O-N 2.05Å; S610-L614 VanDerWaalsContact O-N 3.12Å; V611-L614 PolarHBondContact O-N 3.05Å; L614-F616 PolarHBondContact O-N 3.31Å; L614-F617 PolarHBondContact O-N 3.49Å; L614-F618 WeakPolarHBondContact O-CB 3.42Å; L614-F618 PolarHBondContact O-N 2.83Å
615A90.6Very high86.2Confident10 Ų1067.2 Ų67.28%0.08333%0.329CS..Hα-helixtrans-62.2-42.2176.200000111.9V611 G612 I613 F618 F619 V643V611-A615 WeakPolarHBondContact O-CB 3.43Å; V611-A615 PolarHBondContact O-N 3.32Å; G612-A615 PolarHBondContact O-N 3.03Å; I613-A615 VanDerWaalsContact C-N 3.35Å; I613-A615 PolarHBondContact O-N 3.3Å; A615-F618 PolarHBondContact O-N 3.08Å; A615-F619 HydrophobicContact CB-CD2 4.34Å; A615-F619 HydrophobicContact CB-CE2 4.47Å; A615-F619 VanDerWaalsContact O-CD2 3.23Å; A615-F619 WeakPolarHBondContact O-CD2 3.45Å; A615-F619 PolarHBondContact O-N 3.26Å; A615-V643 HydrophobicContact CB-CB 4.37Å; A615-V643 HydrophobicContact CB-CG1 4.08Å
616F89.4Confident85.2Confident81 Ų8164.6 Ų64.636%0.35532%0.316SS..Hα-helixtrans-60.4-49.7176.7175.1-94.5000111.9G612 I613 L614 F618 T620 I640G612-F616 WeakPolarHBondContact O-CB 3.46Å; G612-F616 PolarHBondContact O-N 3.08Å; I613-F616 PolarHBondContact O-N 3Å; L614-F616 PolarHBondContact O-N 3.31Å; F616-F618 VanDerWaalsContact C-N 3.26Å; F616-F618 PolarHBondContact O-N 3.43Å; F616-T620 HydrophobicContact CD2-CG2 4.04Å; F616-T620 HydrophobicContact CE1-CG2 4.46Å; F616-T620 HydrophobicContact CE2-CG2 3.78Å; F616-T620 HydrophobicContact CG-CG2 4.5Å; F616-T620 HydrophobicContact CZ-CG2 4.01Å; F616-T620 WeakPolarHBondContact O-CB 3.2Å; F616-T620 VanDerWaalsContact O-CG2 3.31Å; F616-T620 WeakPolarHBondContact O-CG2 3.35Å; F616-T620 PolarHBondContact O-N 3.42Å; F616-T620 VanDerWaalsContact O-N 3.1Å; F616-T620 PolarHBondContact O-OG1 3.37Å; F616-I640 HydrophobicContact CB-CD1 4.35Å; F616-I640 HydrophobicContact CD2-CD1 4.09Å
617F88.6Confident84.3Confident89 Ų8966.5 Ų66.539%0.3932%0.324SS..Hα-helixtrans-63.5-33.7179.1-79.5-66.2000112.7I613 L614 R622 I623I613-F617 HydrophobicContact CG2-CD2 3.61Å; I613-F617 HydrophobicContact CG2-CE2 3.48Å; I613-F617 VanDerWaalsContact CG2-CE2 3.48Å; I613-F617 WeakPolarHBondContact O-CD2 3.06Å; I613-F617 PolarHBondContact O-N 3.2Å; L614-F617 PolarHBondContact O-N 3.49Å; F617-R622 HydrophobicContact CD1-CB 3.94Å; F617-R622 PolarHBondContact O-N 3.32Å; F617-I623 HydrophobicContact CB-CD1 3.87Å; F617-I623 HydrophobicContact CB-CG1 3.83Å
618F87.6Confident83.1Confident33 Ų3374.2 Ų74.215%0.14537%0.365CS..Hα-helixtrans-69.4-55.7176.6179.5-94.3000112.5W232 L614 A615 F616 T620 H621 I623 V626 A630W232-F618 HydrophobicContact CB-CE1 4.17Å; W232-F618 AromaticContact CD2-CE1 3.75Å; W232-F618 HydrophobicContact CD2-CE1 3.75Å; W232-F618 HydrophobicContact CD2-CE2 4.33Å; W232-F618 AromaticContact CD2-CZ 3.34Å; W232-F618 HydrophobicContact CD2-CZ 3.34Å; W232-F618 AromaticContact CE2-CZ 3.52Å; W232-F618 HydrophobicContact CE3-CE1 4.03Å; W232-F618 HydrophobicContact CE3-CE2 4Å; W232-F618 AromaticContact CE3-CZ 3.42Å; W232-F618 HydrophobicContact CE3-CZ 3.42Å; W232-F618 VanDerWaalsContact CE3-CZ 3.42Å; W232-F618 AromaticContact CG-CE1 3.82Å; W232-F618 HydrophobicContact CG-CE1 3.82Å; W232-F618 AromaticContact CG-CZ 3.92Å; W232-F618 HydrophobicContact CG-CZ 3.92Å; W232-F618 HydrophobicContact CH2-CE2 4.15Å; W232-F618 AromaticContact CH2-CZ 3.91Å; W232-F618 HydrophobicContact CH2-CZ 3.91Å; W232-F618 HydrophobicContact CZ2-CE2 4.45Å; W232-F618 AromaticContact CZ2-CZ 3.84Å; W232-F618 HydrophobicContact CZ2-CZ 3.84Å; W232-F618 AromaticContact CZ3-CE2 3.9Å; W232-F618 HydrophobicContact CZ3-CE2 3.9Å; W232-F618 AromaticContact CZ3-CZ 3.7Å; W232-F618 HydrophobicContact CZ3-CZ 3.7Å; L614-F618 WeakPolarHBondContact O-CB 3.42Å; L614-F618 PolarHBondContact O-N 2.83Å; A615-F618 PolarHBondContact O-N 3.08Å; F616-F618 VanDerWaalsContact C-N 3.26Å; F616-F618 PolarHBondContact O-N 3.43Å; F618-T620 PolarHBondContact O-N 3.32Å; F618-H621 PolarHBondContact O-N 3.39Å; F618-I623 HydrophobicContact CB-CD1 4.39Å; F618-V626 HydrophobicContact CD2-CG1 3.94Å; F618-V626 HydrophobicContact CE2-CG1 3.46Å; F618-V626 VanDerWaalsContact CE2-CG1 3.46Å; F618-A630 HydrophobicContact CE1-CB 4.37Å; F618-A630 HydrophobicContact CZ-CB 4.26Å
619F86.3Confident82.2Confident11 Ų1176.7 Ų76.75%0.04838%0.38CS..Hα-helixtrans-74.3-9.6-176.3-72.7-66.5000114.4W232 A615 L633 P639 I640W232-F619 HydrophobicContact CB-CE1 4.38Å; W232-F619 HydrophobicContact CB-CZ 4.09Å; A615-F619 HydrophobicContact CB-CD2 4.34Å; A615-F619 HydrophobicContact CB-CE2 4.47Å; A615-F619 VanDerWaalsContact O-CD2 3.23Å; A615-F619 WeakPolarHBondContact O-CD2 3.45Å; A615-F619 PolarHBondContact O-N 3.26Å; F619-L633 HydrophobicContact CD1-CD1 3.66Å; F619-L633 HydrophobicContact CE1-CD1 4.18Å; F619-L633 HydrophobicContact CG-CD1 4.48Å; F619-P639 HydrophobicContact CD1-CB 4.34Å; F619-P639 HydrophobicContact CD2-CB 4.3Å; F619-P639 HydrophobicContact CE1-CB 3.88Å; F619-P639 HydrophobicContact CE1-CG 4.44Å; F619-P639 HydrophobicContact CE2-CB 3.83Å; F619-P639 HydrophobicContact CZ-CB 3.6Å; F619-I640 HydrophobicContact CB-CD1 4.08Å; F619-I640 HydrophobicContact CB-CG1 4.01Å; F619-I640 HydrophobicContact CD2-CG1 3.66Å; F619-I640 HydrophobicContact CG-CG1 4.2Å
620T85.3Confident81.4Confident34 Ų3475.6 Ų75.621%0.20937%0.368CS..THydrogen-bonded Turntrans-100.410.8173.159.30000113.5F616 F618 R622 Y636F616-T620 HydrophobicContact CD2-CG2 4.04Å; F616-T620 HydrophobicContact CE1-CG2 4.46Å; F616-T620 HydrophobicContact CE2-CG2 3.78Å; F616-T620 HydrophobicContact CG-CG2 4.5Å; F616-T620 HydrophobicContact CZ-CG2 4.01Å; F616-T620 WeakPolarHBondContact O-CB 3.2Å; F616-T620 VanDerWaalsContact O-CG2 3.31Å; F616-T620 WeakPolarHBondContact O-CG2 3.35Å; F616-T620 PolarHBondContact O-N 3.42Å; F616-T620 VanDerWaalsContact O-N 3.1Å; F616-T620 PolarHBondContact O-OG1 3.37Å; F618-T620 PolarHBondContact O-N 3.32Å; T620-R622 PolarHBondContact O-N 2.77Å; T620-R622 VanDerWaalsContact O-N 3.07Å; T620-Y636 HydrophobicContact CG2-CD2 4.01Å; T620-Y636 HydrophobicContact CG2-CE2 4.25Å
621H81.6Confident80.8Confident67 Ų6774 Ų7431%0.3136%0.357SS..THydrogen-bonded Turntrans57.323.8177.5-60.171.7000114F618 Q627 A630F618-H621 PolarHBondContact O-N 3.39Å; H621-Q627 HydrophobicContact CB-CG 4.37Å; H621-Q627 PolarHBondContact CD2-O 3.23Å; H621-Q627 VanDerWaalsContact CD2-O 3.31Å; H621-A630 WeakPolarHBondContact NE2-CB 3.1Å; H621-A630 PolarHBondContact NE2-O 3.46Å
622R79.1Confident80.1Confident174 Ų17479.4 Ų79.466%0.65739%0.392SS*.  trans-84.3-13.3-177.7-70.4-163.3-177.6-147.42.8113.6F617 T620 R624F617-R622 HydrophobicContact CD1-CB 3.94Å; F617-R622 PolarHBondContact O-N 3.32Å; T620-R622 PolarHBondContact O-N 2.77Å; T620-R622 VanDerWaalsContact O-N 3.07Å; R622-R624 PolarHBondContact O-N 3.47Å
623I75Confident79.7Confident56 Ų5680.8 Ų80.829%0.28740%0.397SS..  trans-88104.6175.5-56.7174.9000109F617 F618 I625 V626 Q627F617-I623 HydrophobicContact CB-CD1 3.87Å; F617-I623 HydrophobicContact CB-CG1 3.83Å; F618-I623 HydrophobicContact CB-CD1 4.39Å; I623-I625 HydrophobicContact CG2-CB 4.29Å; I623-I625 PolarHBondContact O-N 2.95Å; I623-I625 VanDerWaalsContact O-N 3.1Å; I623-V626 HydrophobicContact CG2-CB 4.28Å; I623-V626 HydrophobicContact CG2-CG2 3.91Å; I623-V626 PolarHBondContact O-N 3.27Å; I623-Q627 PolarHBondContact O-N 3.5Å
624R66.8Low79.3Confident233 Ų23380.3 Ų80.388%0.87940%0.396SS*.THydrogen-bonded Turntrans-55.9-28.3-178.2-65.5-175.5-179.3-177.8-0.4114.4R622 V626R622-R624 PolarHBondContact O-N 3.47Å; R624-V626 VanDerWaalsContact C-N 3.28Å; R624-V626 PolarHBondContact O-N 3.44Å
625I67Low79Confident162 Ų16278.8 Ų78.883%0.83138%0.384SS*.THydrogen-bonded Turntrans-73.5-20.7-177.6-59.1169.9000112I623I623-I625 HydrophobicContact CG2-CB 4.29Å; I623-I625 PolarHBondContact O-N 2.95Å; I623-I625 VanDerWaalsContact O-N 3.1Å
626V68.9Low78.7Confident43 Ų4384.2 Ų84.226%0.26140%0.403SS..THydrogen-bonded Turntrans-130.39.3-164.5-164.70000111.5F618 I623 R624 D628 T629F618-V626 HydrophobicContact CD2-CG1 3.94Å; F618-V626 HydrophobicContact CE2-CG1 3.46Å; F618-V626 VanDerWaalsContact CE2-CG1 3.46Å; I623-V626 HydrophobicContact CG2-CB 4.28Å; I623-V626 HydrophobicContact CG2-CG2 3.91Å; I623-V626 PolarHBondContact O-N 3.27Å; R624-V626 VanDerWaalsContact C-N 3.28Å; R624-V626 PolarHBondContact O-N 3.44Å; V626-D628 VanDerWaalsContact C-N 3.31Å; V626-D628 PolarHBondContact O-N 2.89Å; V626-T629 WeakPolarHBondContact CG1-OG1 3.38Å; V626-T629 PolarHBondContact O-N 2.9Å; V626-T629 VanDerWaalsContact O-N 3.1Å; V626-T629 PolarHBondContact O-OG1 3.32Å
627Q69.4Low78.4Confident100 Ų10086 Ų8647%0.46741%0.407SS..THydrogen-bonded Turntrans-58.4-37.5-171.2-172169.5-10.600113.1H621 I623 T629H621-Q627 HydrophobicContact CB-CG 4.37Å; H621-Q627 PolarHBondContact CD2-O 3.23Å; H621-Q627 VanDerWaalsContact CD2-O 3.31Å; I623-Q627 PolarHBondContact O-N 3.5Å; Q627-T629 VanDerWaalsContact C-N 3.32Å; Q627-T629 PolarHBondContact O-N 2.72Å
628D68.1Low78.3Confident165 Ų16582 Ų8288%0.88239%0.39SS*.THydrogen-bonded Turntrans-82.7-8.2-177.5-58.6-36.9000113.9V626V626-D628 VanDerWaalsContact C-N 3.31Å; V626-D628 PolarHBondContact O-N 2.89Å
629T74.8Confident78.4Confident67 Ų6780.4 Ų80.441%0.41138%0.384SS..THydrogen-bonded Turntrans-100.9-16.5-176.768.70000113.4V626 Q627V626-T629 WeakPolarHBondContact CG1-OG1 3.38Å; V626-T629 PolarHBondContact O-N 2.9Å; V626-T629 VanDerWaalsContact O-N 3.1Å; V626-T629 PolarHBondContact O-OG1 3.32Å; Q627-T629 VanDerWaalsContact C-N 3.32Å; Q627-T629 PolarHBondContact O-N 2.72Å
630A74.3Confident78.6Confident10 Ų1080.6 Ų80.68%0.08339%0.385CS..SBendtrans-79.3126.6-179.800000110.4F618 H621F618-A630 HydrophobicContact CE1-CB 4.37Å; F618-A630 HydrophobicContact CZ-CB 4.26Å; H621-A630 WeakPolarHBondContact NE2-CB 3.1Å; H621-A630 PolarHBondContact NE2-O 3.46Å
631P77.6Confident78.8Confident12 Ų1283 Ų838%0.07840%0.396CS..PPolyproline II helixtrans-70.4148.9-175.127.4-33.6000112.1V228 L633V228-P631 HydrophobicContact CG1-CB 3.41Å; V228-P631 VanDerWaalsContact CG1-CB 3.41Å; V228-P631 HydrophobicContact CG1-CG 4.2Å; P631-L633 HydrophobicContact CG-CD2 4.39Å
632P79.8Confident79.3Confident117 Ų11781.6 Ų81.676%0.7639%0.392SS*.PPolyproline II helixtrans-68.2132.5166.829.7-32.8000109.6
633L83Confident80Confident37 Ų3773.4 Ų73.419%0.19436%0.361CS..  trans-128.3145.6-176.3-63.2168.4000110.3D225 F619 P631 P639D225-L633 HydrophobicContact CB-CD2 3.99Å; F619-L633 HydrophobicContact CD1-CD1 3.66Å; F619-L633 HydrophobicContact CE1-CD1 4.18Å; F619-L633 HydrophobicContact CG-CD1 4.48Å; P631-L633 HydrophobicContact CG-CD2 4.39Å; L633-P639 HydrophobicContact CD1-CG 3.87Å; L633-P639 HydrophobicContact CD2-CG 4.49Å
634N81.3Confident80.9Confident90 Ų9073.5 Ų73.548%0.48136%0.362SS..SBendtrans-68-44.3171.3-62.9-84000110.4R221 D225R221-N634 HydrophobicContact CB-CB 4.46Å; D225-N634 WeakPolarHBondContact OD1-CB 3.35Å; D225-N634 PolarHBondContact OD1-N 2.78Å; D225-N634 PolarHBondContact OD1-ND2 2.98Å
635Y83.8Confident82.2Confident63 Ų6365.9 Ų65.925%0.24734%0.341CS..  trans-130.688.2-179.2-61.5-71.7000111.2L218 R221 D225 W637 V638 P639L218-Y635 HydrophobicContact CD1-CD2 4.39Å; L218-Y635 HydrophobicContact CD1-CE2 3.78Å; R221-Y635 HydrophobicContact CB-CD2 4.23Å; R221-Y635 HydrophobicContact CB-CE2 3.79Å; R221-Y635 HydrophobicContact CG-CE2 4.47Å; R221-Y635 PolarHBondContact NH1-OH 3.3Å; D225-Y635 PolarHBondContact OD2-N 3.19Å; Y635-W637 AromaticContact CD1-NE1 3.56Å; Y635-W637 AromaticContact CG-NE1 3.89Å; Y635-W637 PolarHBondContact O-N 3.25Å; Y635-V638 WeakPolarHBondContact O-CB 3.42Å; Y635-V638 PolarHBondContact O-N 2.88Å; Y635-P639 WeakPolarHBondContact O-CD 3.4Å
636Y84.3Confident83.4Confident124 Ų12458.9 Ų58.949%0.48631%0.309SS..THydrogen-bonded Turntrans-55.1-26.817967.3-93.7000114.2T620 V638 I640T620-Y636 HydrophobicContact CG2-CD2 4.01Å; T620-Y636 HydrophobicContact CG2-CE2 4.25Å; Y636-V638 VanDerWaalsContact C-N 3.27Å; Y636-V638 PolarHBondContact O-N 2.83Å; Y636-I640 HydrophobicContact CD2-CD1 3.94Å; Y636-I640 VanDerWaalsContact O-CD1 3.29Å; Y636-I640 WeakPolarHBondContact O-CD1 3.36Å; Y636-I640 WeakPolarHBondContact O-CG1 3.46Å
637W84.7Confident84.7Confident118 Ų11856.8 Ų56.845%0.44730%0.296SS..Hα-helixtrans-70.1-22.1179.567-94.5000113.3Y635 L641Y635-W637 AromaticContact CD1-NE1 3.56Å; Y635-W637 AromaticContact CG-NE1 3.89Å; Y635-W637 PolarHBondContact O-N 3.25Å; W637-L641 HydrophobicContact CE3-CB 4.45Å; W637-L641 HydrophobicContact CE3-CD2 4.2Å; W637-L641 HydrophobicContact CZ3-CD2 3.84Å; W637-L641 VanDerWaalsContact O-CB 3.29Å; W637-L641 WeakPolarHBondContact O-CB 3.39Å; W637-L641 PolarHBondContact O-N 3.19Å
638V86.1Confident85.9Confident6 Ų656.6 Ų56.64%0.03629%0.292CS..Hα-helixtrans-68.7-56.3-175.7170.40000110.8I222 Y226 Y635 Y636 I640 L641 T642I222-V638 HydrophobicContact CD1-CG2 4.44Å; I222-V638 HydrophobicContact CG1-CG1 4.43Å; I222-V638 HydrophobicContact CG1-CG2 4.03Å; I222-V638 HydrophobicContact CG2-CG1 4Å; Y226-V638 HydrophobicContact CE2-CG1 4.02Å; Y635-V638 WeakPolarHBondContact O-CB 3.42Å; Y635-V638 PolarHBondContact O-N 2.88Å; Y636-V638 VanDerWaalsContact C-N 3.27Å; Y636-V638 PolarHBondContact O-N 2.83Å; V638-I640 VanDerWaalsContact C-N 3.28Å; V638-I640 PolarHBondContact O-N 3.37Å; V638-L641 PolarHBondContact O-N 3.28Å; V638-T642 PolarHBondContact O-N 2.86Å; V638-T642 PolarHBondContact O-OG1 2.7Å
639P89.2Confident87Confident0 Ų054 Ų540%028%0.277CS..Hα-helixtrans-58.9-37.2174.5-2838.3000113.7S229 I233 F619 L633 Y635 T642 V643S229-P639 WeakPolarHBondContact OG-CG 3.48Å; I233-P639 HydrophobicContact CD1-CB 4Å; I233-P639 HydrophobicContact CG1-CB 4.08Å; F619-P639 HydrophobicContact CD1-CB 4.34Å; F619-P639 HydrophobicContact CD2-CB 4.3Å; F619-P639 HydrophobicContact CE1-CB 3.88Å; F619-P639 HydrophobicContact CE1-CG 4.44Å; F619-P639 HydrophobicContact CE2-CB 3.83Å; F619-P639 HydrophobicContact CZ-CB 3.6Å; L633-P639 HydrophobicContact CD1-CG 3.87Å; L633-P639 HydrophobicContact CD2-CG 4.49Å; Y635-P639 WeakPolarHBondContact O-CD 3.4Å; P639-T642 PolarHBondContact O-N 3.22Å; P639-V643 WeakPolarHBondContact O-CG2 3.08Å; P639-V643 PolarHBondContact O-N 3.04Å
640I90.1Very high87.8Confident14 Ų1453 Ų537%0.07227%0.269CS..Hα-helixtrans-60.8-48.9176.4-64.2166.9000110.3F616 F619 Y636 V638 T642 V643 I644F616-I640 HydrophobicContact CB-CD1 4.35Å; F616-I640 HydrophobicContact CD2-CD1 4.09Å; F619-I640 HydrophobicContact CB-CD1 4.08Å; F619-I640 HydrophobicContact CB-CG1 4.01Å; F619-I640 HydrophobicContact CD2-CG1 3.66Å; F619-I640 HydrophobicContact CG-CG1 4.2Å; Y636-I640 HydrophobicContact CD2-CD1 3.94Å; Y636-I640 VanDerWaalsContact O-CD1 3.29Å; Y636-I640 WeakPolarHBondContact O-CD1 3.36Å; Y636-I640 WeakPolarHBondContact O-CG1 3.46Å; V638-I640 VanDerWaalsContact C-N 3.28Å; V638-I640 PolarHBondContact O-N 3.37Å; I640-T642 VanDerWaalsContact C-N 3.27Å; I640-T642 PolarHBondContact O-N 2.9Å; I640-V643 PolarHBondContact O-N 3.37Å; I640-I644 HydrophobicContact CG2-CD1 3.76Å; I640-I644 HydrophobicContact CG2-CG1 4.39Å; I640-I644 WeakPolarHBondContact O-CB 3.43Å; I640-I644 VanDerWaalsContact O-CG1 3.31Å; I640-I644 WeakPolarHBondContact O-CG1 3.38Å; I640-I644 PolarHBondContact O-N 3.24Å
641L90.8Very high88.7Confident85 Ų8552.5 Ų52.545%0.44527%0.265SS..Hα-helixtrans-60.1-40.6178.2-178.563.5000110.9W637 V638 I644 V645W637-L641 HydrophobicContact CE3-CB 4.45Å; W637-L641 HydrophobicContact CE3-CD2 4.2Å; W637-L641 HydrophobicContact CZ3-CD2 3.84Å; W637-L641 VanDerWaalsContact O-CB 3.29Å; W637-L641 WeakPolarHBondContact O-CB 3.39Å; W637-L641 PolarHBondContact O-N 3.19Å; V638-L641 PolarHBondContact O-N 3.28Å; L641-I644 PolarHBondContact O-N 3.27Å; L641-V645 HydrophobicContact CD1-CG2 4.15Å; L641-V645 HydrophobicContact CG-CG2 4.36Å; L641-V645 WeakPolarHBondContact O-CB 3.18Å; L641-V645 VanDerWaalsContact O-CG2 3.29Å; L641-V645 WeakPolarHBondContact O-CG2 3.35Å; L641-V645 PolarHBondContact O-N 3.35Å
642T90.9Very high89.3Confident37 Ų3756 Ų5623%0.22728%0.28CS..Hα-helixtrans-64.7-42.7177.6-520000112.2Y226 I233 V638 P639 I640 G646Y226-T642 HydrophobicContact CE1-CG2 3.99Å; Y226-T642 PolarHBondContact OH-OG1 2.96Å; I233-T642 HydrophobicContact CG2-CG2 4.08Å; V638-T642 PolarHBondContact O-N 2.86Å; V638-T642 PolarHBondContact O-OG1 2.7Å; P639-T642 PolarHBondContact O-N 3.22Å; I640-T642 VanDerWaalsContact C-N 3.27Å; I640-T642 PolarHBondContact O-N 2.9Å; T642-G646 PolarHBondContact O-N 3.5Å
643V94.6Very high89.8Confident2 Ų251 Ų511%0.01225%0.25CS..Hα-helixtrans-63.7-42.6174.2171.70000110.7I233 V611 A615 P639 I640 S647I233-V643 HydrophobicContact CB-CG2 4.3Å; I233-V643 HydrophobicContact CG1-CG2 4.29Å; I233-V643 HydrophobicContact CG2-CG2 4.01Å; V611-V643 HydrophobicContact CG1-CG1 3.61Å; A615-V643 HydrophobicContact CB-CB 4.37Å; A615-V643 HydrophobicContact CB-CG1 4.08Å; P639-V643 WeakPolarHBondContact O-CG2 3.08Å; P639-V643 PolarHBondContact O-N 3.04Å; I640-V643 PolarHBondContact O-N 3.37Å; V643-S647 WeakPolarHBondContact O-CB 3.28Å; V643-S647 PolarHBondContact O-N 2.79Å; V643-S647 PolarHBondContact O-OG 3.22Å
644I93.9Very high90.1Very high58 Ų5850.3 Ų50.330%0.29725%0.246SC..Hα-helixtrans-61.3-50.8177.2-73.8171.9000110.9V608 I640 L641 S647 Y648V608-I644 HydrophobicContact CG1-CB 4.44Å; V608-I644 HydrophobicContact CG1-CG2 3.7Å; I640-I644 HydrophobicContact CG2-CD1 3.76Å; I640-I644 HydrophobicContact CG2-CG1 4.39Å; I640-I644 WeakPolarHBondContact O-CB 3.43Å; I640-I644 VanDerWaalsContact O-CG1 3.31Å; I640-I644 WeakPolarHBondContact O-CG1 3.38Å; I640-I644 PolarHBondContact O-N 3.24Å; L641-I644 PolarHBondContact O-N 3.27Å; I644-S647 PolarHBondContact O-N 2.88Å; I644-Y648 PolarHBondContact O-N 3.34Å
645V94.3Very high90.6Very high74 Ų7446.2 Ų46.245%0.44822%0.224SC..Hα-helixtrans-63.9-46.6180171.30000110.6L641 S647 Y648 L649L641-V645 HydrophobicContact CD1-CG2 4.15Å; L641-V645 HydrophobicContact CG-CG2 4.36Å; L641-V645 WeakPolarHBondContact O-CB 3.18Å; L641-V645 VanDerWaalsContact O-CG2 3.29Å; L641-V645 WeakPolarHBondContact O-CG2 3.35Å; L641-V645 PolarHBondContact O-N 3.35Å; V645-S647 PolarHBondContact O-N 3.27Å; V645-Y648 WeakPolarHBondContact O-CB 3.49Å; V645-Y648 PolarHBondContact O-N 3.2Å; V645-L649 HydrophobicContact CG1-CD1 4.4Å; V645-L649 WeakPolarHBondContact O-CG 3.34Å; V645-L649 PolarHBondContact O-N 3.24Å
646G92.1Very high90.9Very high14 Ų1445.5 Ų45.514%0.14423%0.228CC..Hα-helixtrans-63.7-40.6177.800000112.6L237 T642 Y648 L649 I650L237-G646 VanDerWaalsContact CD2-C 3.5Å; T642-G646 PolarHBondContact O-N 3.5Å; G646-Y648 VanDerWaalsContact C-N 3.3Å; G646-Y648 PolarHBondContact O-N 3.09Å; G646-L649 PolarHBondContact O-N 3.28Å; G646-I650 VanDerWaalsContact O-CG1 3.32Å; G646-I650 WeakPolarHBondContact O-CG1 3.42Å; G646-I650 PolarHBondContact O-N 2.99Å
647S95.3Very high91.3Very high0 Ų039.6 Ų39.60%021%0.205CC..Hα-helixtrans-61.6-39.6174-60.20000111.6A240 V611 V643 I644 V645 I650 A651A240-S647 VanDerWaalsContact CB-OG 3.27Å; A240-S647 WeakPolarHBondContact CB-OG 3.34Å; V611-S647 WeakPolarHBondContact CG1-OG 3.37Å; V643-S647 WeakPolarHBondContact O-CB 3.28Å; V643-S647 PolarHBondContact O-N 2.79Å; V643-S647 PolarHBondContact O-OG 3.22Å; I644-S647 PolarHBondContact O-N 2.88Å; V645-S647 PolarHBondContact O-N 3.27Å; S647-I650 PolarHBondContact O-N 3.39Å; S647-A651 WeakPolarHBondContact O-CB 3.04Å; S647-A651 PolarHBondContact O-N 3.41Å
648Y94.5Very high91.6Very high96 Ų9634 Ų3438%0.37618%0.184SC..Hα-helixtrans-64-43.3175.6178.6-90.6000111.5V608 I644 V645 G646 A651 H652V608-Y648 VanDerWaalsContact CG2-CA 3.43Å; V608-Y648 HydrophobicContact CG2-CD2 4.25Å; I644-Y648 PolarHBondContact O-N 3.34Å; V645-Y648 WeakPolarHBondContact O-CB 3.49Å; V645-Y648 PolarHBondContact O-N 3.2Å; G646-Y648 VanDerWaalsContact C-N 3.3Å; G646-Y648 PolarHBondContact O-N 3.09Å; Y648-A651 PolarHBondContact O-N 2.85Å; Y648-H652 HydrophobicContact CE1-CB 4.43Å; Y648-H652 WeakPolarHBondContact O-CB 3.07Å; Y648-H652 PolarHBondContact O-N 2.77Å
649L91.6Very high91.8Very high111 Ų11134.1 Ų34.158%0.58119%0.186SC*.Hα-helixtrans-63.1-43.2177.3-68.1175.8000111.8V645 G646 H652 G653V645-L649 HydrophobicContact CG1-CD1 4.4Å; V645-L649 WeakPolarHBondContact O-CG 3.34Å; V645-L649 PolarHBondContact O-N 3.24Å; G646-L649 PolarHBondContact O-N 3.28Å; L649-H652 PolarHBondContact O-N 2.97Å; L649-G653 PolarHBondContact O-N 3.11Å
650I91.3Very high92Very high45 Ų4534.6 Ų34.623%0.23119%0.188CC..Hα-helixtrans-61.5-54.4176.3-69.3169.6000110.1L237 M241 G646 S647 H652 G653 F654L237-I650 HydrophobicContact CB-CD1 3.94Å; L237-I650 HydrophobicContact CD2-CD1 4.07Å; L237-I650 WeakPolarHBondContact O-CD1 3.2Å; M241-I650 HydrophobicContact CB-CG2 4.09Å; G646-I650 VanDerWaalsContact O-CG1 3.32Å; G646-I650 WeakPolarHBondContact O-CG1 3.42Å; G646-I650 PolarHBondContact O-N 2.99Å; S647-I650 PolarHBondContact O-N 3.39Å; I650-H652 VanDerWaalsContact C-N 3.29Å; I650-H652 PolarHBondContact O-N 3.38Å; I650-G653 PolarHBondContact O-N 2.81Å; I650-G653 VanDerWaalsContact O-N 3.11Å; I650-F654 HydrophobicContact CG2-CD2 3.78Å; I650-F654 HydrophobicContact CG2-CE2 3.55Å; I650-F654 WeakPolarHBondContact O-CD2 3.41Å; I650-F654 PolarHBondContact O-N 2.86Å; I650-F654 VanDerWaalsContact O-N 3.11Å
651A93Very high92.2Very high0 Ų033.9 Ų33.90%019%0.185CC..Hα-helixtrans-57.4-44.6177.900000110.9K604 I607 S647 Y648 G653 F654 F655K604-A651 HydrophobicContact CB-CB 4.49Å; K604-A651 HydrophobicContact CG-CB 4.19Å; I607-A651 HydrophobicContact CD1-CB 4.35Å; I607-A651 HydrophobicContact CG2-CB 4.43Å; S647-A651 WeakPolarHBondContact O-CB 3.04Å; S647-A651 PolarHBondContact O-N 3.41Å; Y648-A651 PolarHBondContact O-N 2.85Å; A651-G653 VanDerWaalsContact C-N 3.33Å; A651-G653 PolarHBondContact O-N 2.78Å; A651-F654 PolarHBondContact O-N 2.69Å; A651-F655 HydrophobicContact CB-CD2 4.4Å; A651-F655 HydrophobicContact CB-CE2 4.5Å; A651-F655 WeakPolarHBondContact O-CD2 3.19Å; A651-F655 PolarHBondContact O-N 3.39Å
652H91.6Very high92.3Very high84 Ų8429.9 Ų29.939%0.38916%0.163SC..Hα-helixtrans-57.2-44.6176.2-178.7-82000112.2Y648 L649 I650 F655 S656Y648-H652 HydrophobicContact CE1-CB 4.43Å; Y648-H652 WeakPolarHBondContact O-CB 3.07Å; Y648-H652 PolarHBondContact O-N 2.77Å; L649-H652 PolarHBondContact O-N 2.97Å; I650-H652 VanDerWaalsContact C-N 3.29Å; I650-H652 PolarHBondContact O-N 3.38Å; H652-F655 PolarHBondContact O-N 3.28Å; H652-S656 VanDerWaalsContact O-CB 3.28Å; H652-S656 WeakPolarHBondContact O-CB 3.49Å; H652-S656 PolarHBondContact O-N 3.13Å
653G89.9Confident92.4Very high14 Ų1428.9 Ų28.914%0.14416%0.157CC..Hα-helixtrans-56-52.6174.800000112.3L649 I650 A651 S656 V657L649-G653 PolarHBondContact O-N 3.11Å; I650-G653 PolarHBondContact O-N 2.81Å; I650-G653 VanDerWaalsContact O-N 3.11Å; A651-G653 VanDerWaalsContact C-N 3.33Å; A651-G653 PolarHBondContact O-N 2.78Å; G653-S656 PolarHBondContact O-N 2.78Å; G653-S656 PolarHBondContact O-OG 3.21Å; G653-V657 PolarHBondContact O-N 3.2Å
654F89.8Confident92.4Very high22 Ų2228.8 Ų28.810%0.09616%0.156CC..Hα-helixtrans-59.1-49.5177.7-79.8-67.6000113.1M241 S244 L245 I248 L359 I650 A651 S656 V657 Y658M241-F654 HydrophobicContact CG-CE2 3.88Å; M241-F654 HydrophobicContact CG-CZ 3.88Å; S244-F654 VanDerWaalsContact CB-CD2 3.46Å; L245-F654 HydrophobicContact CD1-CZ 4.49Å; L245-F654 HydrophobicContact CD2-CD1 4.25Å; L245-F654 HydrophobicContact CD2-CE1 3.45Å; L245-F654 VanDerWaalsContact CD2-CE1 3.45Å; L245-F654 HydrophobicContact CD2-CZ 3.92Å; L245-F654 HydrophobicContact CG-CE1 3.94Å; L245-F654 HydrophobicContact CG-CZ 3.89Å; I248-F654 HydrophobicContact CD1-CB 3.71Å; I248-F654 HydrophobicContact CD1-CD1 3.84Å; I248-F654 HydrophobicContact CD1-CG 4.07Å; L359-F654 HydrophobicContact CB-CD1 4.33Å; L359-F654 HydrophobicContact CB-CE1 4.11Å; L359-F654 HydrophobicContact CD2-CD1 4.19Å; I650-F654 HydrophobicContact CG2-CD2 3.78Å; I650-F654 HydrophobicContact CG2-CE2 3.55Å; I650-F654 WeakPolarHBondContact O-CD2 3.41Å; I650-F654 PolarHBondContact O-N 2.86Å; I650-F654 VanDerWaalsContact O-N 3.11Å; A651-F654 PolarHBondContact O-N 2.69Å; F654-S656 VanDerWaalsContact C-N 3.29Å; F654-S656 PolarHBondContact O-N 2.04Å; F654-V657 PolarHBondContact O-N 3.01Å; F654-Y658 PolarHBondContact O-N 3.17Å
655F90.8Very high92.4Very high4 Ų426.2 Ų26.22%0.01814%0.143CC..Hα-helixtrans-68.4-26.4178.4-78-72.2000113.1F247 F600 K604 I607 A651 H652 Y658 G659F247-F655 HydrophobicContact CD1-CE1 4.11Å; F247-F655 AromaticContact CD1-CZ 3.59Å; F247-F655 HydrophobicContact CD1-CZ 3.59Å; F247-F655 AromaticContact CE1-CE1 3.78Å; F247-F655 HydrophobicContact CE1-CE1 3.78Å; F247-F655 AromaticContact CE1-CZ 3.45Å; F247-F655 HydrophobicContact CE1-CZ 3.45Å; F247-F655 VanDerWaalsContact CE1-CZ 3.45Å; F247-F655 HydrophobicContact CZ-CZ 4.35Å; F600-F655 HydrophobicContact CB-CB 4.39Å; F600-F655 HydrophobicContact CB-CD1 3.83Å; F600-F655 HydrophobicContact CB-CE1 4.4Å; F600-F655 HydrophobicContact CB-CG 4.24Å; F600-F655 AromaticContact CD1-CD1 3.49Å; F600-F655 HydrophobicContact CD1-CD1 3.49Å; F600-F655 VanDerWaalsContact CD1-CD1 3.49Å; F600-F655 AromaticContact CD1-CE1 3.81Å; F600-F655 HydrophobicContact CD1-CE1 3.81Å; F600-F655 HydrophobicContact CE1-CD1 4.3Å; F600-F655 AromaticContact CG-CD1 3.77Å; F600-F655 HydrophobicContact CG-CD1 3.77Å; F600-F655 HydrophobicContact CG-CE1 4.42Å; K604-F655 HydrophobicContact CD-CD2 4.26Å; K604-F655 VanDerWaalsContact CE-CB 3.41Å; K604-F655 HydrophobicContact CG-CD2 3.38Å; K604-F655 HydrophobicContact CG-CE2 3.76Å; K604-F655 HydrophobicContact CG-CG 4.19Å; I607-F655 HydrophobicContact CD1-CE2 3.83Å; I607-F655 HydrophobicContact CD1-CZ 4.29Å; A651-F655 HydrophobicContact CB-CD2 4.4Å; A651-F655 HydrophobicContact CB-CE2 4.5Å; A651-F655 WeakPolarHBondContact O-CD2 3.19Å; A651-F655 PolarHBondContact O-N 3.39Å; H652-F655 PolarHBondContact O-N 3.28Å; F655-Y658 PolarHBondContact O-N 3.49Å; F655-G659 PolarHBondContact O-N 2.88Å
656S90.8Very high92.3Very high48 Ų4823.2 Ų23.234%0.33612%0.124SC..Hα-helixtrans-65.6-39.1176.176.20000112.1H652 G653 F654 Y658 G659 M660H652-S656 VanDerWaalsContact O-CB 3.28Å; H652-S656 WeakPolarHBondContact O-CB 3.49Å; H652-S656 PolarHBondContact O-N 3.13Å; G653-S656 PolarHBondContact O-N 2.78Å; G653-S656 PolarHBondContact O-OG 3.21Å; F654-S656 VanDerWaalsContact C-N 3.29Å; F654-S656 PolarHBondContact O-N 2.04Å; S656-Y658 VanDerWaalsContact C-N 3.32Å; S656-G659 PolarHBondContact O-N 3.49Å; S656-M660 WeakPolarHBondContact O-CG 3.07Å; S656-M660 PolarHBondContact O-N 3.14Å
657V92.4Very high92.3Very high0 Ų022.6 Ų22.60%012%0.117CC..Hα-helixtrans-62.8-44.2174177.40000110.1L359 P362 L466 F470 G653 F654 M660 C661L359-V657 HydrophobicContact CD2-CG1 4.25Å; P362-V657 HydrophobicContact CG-CG2 3.4Å; L466-V657 HydrophobicContact CD1-CG2 4.31Å; L466-V657 HydrophobicContact CD2-CG1 4.12Å; F470-V657 HydrophobicContact CE2-CG1 4.3Å; F470-V657 HydrophobicContact CZ-CG1 3.98Å; G653-V657 PolarHBondContact O-N 3.2Å; F654-V657 PolarHBondContact O-N 3.01Å; V657-M660 PolarHBondContact O-N 3.24Å; V657-C661 PolarHBondContact O-N 3.34Å
658Y90.3Very high92.1Very high1 Ų122.6 Ų22.60%0.00412%0.117CC..Hα-helixtrans-64.2-42.6178.3-154.9-77.5000112.3I248 L251 I345 A348 S349 V352 F600 F654 F655 S656 C661 V662I248-Y658 HydrophobicContact CG2-CD2 4.42Å; I248-Y658 HydrophobicContact CG2-CE2 4.42Å; L251-Y658 HydrophobicContact CD1-CE2 4.49Å; I345-Y658 HydrophobicContact CB-CE1 4.4Å; I345-Y658 HydrophobicContact CG1-CE1 4.42Å; I345-Y658 HydrophobicContact CG2-CE1 3.91Å; I345-Y658 WeakPolarHBondContact CG2-OH 3.35Å; I345-Y658 PolarHBondContact O-OH 3.27Å; A348-Y658 HydrophobicContact CB-CE1 3.9Å; S349-Y658 VanDerWaalsContact CB-OH 3.29Å; S349-Y658 WeakPolarHBondContact CB-OH 3.28Å; S349-Y658 PolarHBondContact N-OH 2.53Å; V352-Y658 HydrophobicContact CG2-CD2 4.34Å; F600-Y658 AromaticContact CE1-CD1 3.52Å; F600-Y658 HydrophobicContact CE1-CD1 3.52Å; F600-Y658 AromaticContact CE1-CE1 3.85Å; F600-Y658 HydrophobicContact CE1-CE1 3.85Å; F600-Y658 HydrophobicContact CE1-CG 4.38Å; F600-Y658 HydrophobicContact CE2-CD1 4.28Å; F600-Y658 AromaticContact CZ-CD1 3.31Å; F600-Y658 HydrophobicContact CZ-CD1 3.31Å; F600-Y658 AromaticContact CZ-CE1 3.81Å; F600-Y658 HydrophobicContact CZ-CE1 3.81Å; F600-Y658 HydrophobicContact CZ-CG 4.33Å; F654-Y658 PolarHBondContact O-N 3.17Å; F655-Y658 PolarHBondContact O-N 3.49Å; S656-Y658 VanDerWaalsContact C-N 3.32Å; Y658-C661 WeakPolarHBondContact O-CB 3.45Å; Y658-C661 PolarHBondContact O-N 3.04Å; Y658-C661 VanDerWaalsContact O-N 3.15Å; Y658-V662 HydrophobicContact CD1-CG2 3.78Å; Y658-V662 HydrophobicContact CE1-CG2 3.69Å; Y658-V662 WeakPolarHBondContact O-CG2 3.41Å; Y658-V662 PolarHBondContact O-N 3.47Å
659G91.6Very high91.9Very high8 Ų818.1 Ų18.18%0.08210%0.1CC..Hα-helixtrans-60.3-44.2174.300000112F655 S656 C661 V662 D663F655-G659 PolarHBondContact O-N 2.88Å; S656-G659 PolarHBondContact O-N 3.49Å; G659-C661 VanDerWaalsContact C-N 3.31Å; G659-C661 PolarHBondContact O-N 2.94Å; G659-V662 PolarHBondContact O-N 3.2Å; G659-D663 VanDerWaalsContact O-CG 3.23Å; G659-D663 PolarHBondContact O-N 3.21Å
660M93.7Very high91.8Very high9 Ų912.9 Ų12.94%0.0447%0.073CC..Hα-helixtrans-61.6-37.8172.8-72.8-56.5-56.100112.7Q463 L466 R558 I562 S656 V657 T664Q463-M660 HydrophobicContact CB-CE 3.75Å; Q463-M660 HydrophobicContact CB-SD 4.44Å; Q463-M660 HydrophobicContact CG-CE 3.91Å; Q463-M660 HydrophobicContact CG-SD 3.92Å; L466-M660 HydrophobicContact CB-CB 4.38Å; L466-M660 HydrophobicContact CD1-CB 4.31Å; L466-M660 HydrophobicContact CD1-CG 4.32Å; R558-M660 HydrophobicContact CG-CE 4.49Å; R558-M660 HydrophobicContact CG-SD 4.15Å; R558-M660 PolarHBondContact NE-SD 3.38Å; I562-M660 HydrophobicContact CG1-CE 4.32Å; S656-M660 WeakPolarHBondContact O-CG 3.07Å; S656-M660 PolarHBondContact O-N 3.14Å; V657-M660 PolarHBondContact O-N 3.24Å; M660-T664 VanDerWaalsContact O-CB 3.31Å; M660-T664 WeakPolarHBondContact O-CB 3.45Å; M660-T664 PolarHBondContact O-N 3.19Å; M660-T664 PolarHBondContact O-OG1 3.36Å
661C94.2Very high91.7Very high0 Ų010.9 Ų10.90%06%0.062CC..Hα-helixtrans-62.7-51.3174.1-1740000111.4A348 V352 F470 V657 Y658 G659 D663 T664 L665A348-C661 HydrophobicContact CB-CB 4.32Å; V352-C661 HydrophobicContact CG2-CB 4.14Å; F470-C661 HydrophobicContact CD1-CB 4.12Å; F470-C661 VanDerWaalsContact CD1-SG 3.54Å; F470-C661 VanDerWaalsContact CD2-CA 3.47Å; F470-C661 HydrophobicContact CD2-CB 3.65Å; F470-C661 HydrophobicContact CE1-CB 4.03Å; F470-C661 HydrophobicContact CE2-CB 3.54Å; F470-C661 HydrophobicContact CG-CB 3.95Å; F470-C661 HydrophobicContact CZ-CB 3.75Å; V657-C661 PolarHBondContact O-N 3.34Å; Y658-C661 WeakPolarHBondContact O-CB 3.45Å; Y658-C661 PolarHBondContact O-N 3.04Å; Y658-C661 VanDerWaalsContact O-N 3.15Å; G659-C661 VanDerWaalsContact C-N 3.31Å; G659-C661 PolarHBondContact O-N 2.94Å; C661-D663 VanDerWaalsContact C-N 3.34Å; C661-D663 PolarHBondContact O-N 3.24Å; C661-T664 PolarHBondContact O-N 3.13Å; C661-L665 VanDerWaalsContact O-CG 3.3Å; C661-L665 WeakPolarHBondContact O-CG 3.14Å; C661-L665 PolarHBondContact O-N 3.06Å
662V92.4Very high91.5Very high0 Ų010.9 Ų10.90%06%0.062CC..Hα-helixtrans-58.8-46.3-179170.60000111.1I345 A348 L592 T596 F600 Y658 G659 T664 L665 F666I345-V662 HydrophobicContact CG1-CG2 4.34Å; A348-V662 HydrophobicContact CB-CG2 3.54Å; L592-V662 HydrophobicContact CD2-CG1 4.21Å; T596-V662 HydrophobicContact CG2-CG1 3.87Å; F600-V662 HydrophobicContact CZ-CG2 4.12Å; Y658-V662 HydrophobicContact CD1-CG2 3.78Å; Y658-V662 HydrophobicContact CE1-CG2 3.69Å; Y658-V662 WeakPolarHBondContact O-CG2 3.41Å; Y658-V662 PolarHBondContact O-N 3.47Å; G659-V662 PolarHBondContact O-N 3.2Å; V662-T664 VanDerWaalsContact C-N 3.34Å; V662-T664 PolarHBondContact O-N 3.4Å; V662-L665 PolarHBondContact O-N 3.08Å; V662-F666 WeakPolarHBondContact O-CB 3.39Å; V662-F666 PolarHBondContact O-N 2.99Å
663D92.8Very high91.3Very high17 Ų178.8 Ų8.89%0.0915%0.054CC..Hα-helixtrans-63.6-41.3179.1-64.9-15.8000111.9R558 I562 G659 C661 F666 L667R558-D663 IonicContact CZ-OD2 2.72Å; R558-D663 IonicContact NE-OD2 3.58Å; R558-D663 PolarHBondContact NE-OD2 3.47Å; R558-D663 VanDerWaalsContact NE-OD2 3.16Å; R558-D663 IonicContact NH1-OD2 3.32Å; R558-D663 PolarHBondContact NH1-OD2 3.26Å; R558-D663 IonicContact NH2-OD2 3.2Å; R558-D663 PolarHBondContact NH2-OD2 3.09Å; I562-D663 HydrophobicContact CD1-CB 3.87Å; G659-D663 VanDerWaalsContact O-CG 3.23Å; G659-D663 PolarHBondContact O-N 3.21Å; C661-D663 VanDerWaalsContact C-N 3.34Å; C661-D663 PolarHBondContact O-N 3.24Å; D663-F666 PolarHBondContact O-N 3.46Å; D663-L667 WeakPolarHBondContact O-CB 3.03Å; D663-L667 PolarHBondContact O-N 3.31Å
664T95Very high91.1Very high0 Ų010.3 Ų10.30%06%0.057CC..Hα-helixtrans-64.1-48.1178.1-57.90000111.2A467 F470 A471 I562 M660 C661 V662 F666 L667 C668A467-T664 WeakPolarHBondContact CA-OG1 3.31Å; A467-T664 HydrophobicContact CB-CG2 4.3Å; A467-T664 WeakPolarHBondContact O-CG2 3.47Å; F470-T664 HydrophobicContact CB-CG2 3.97Å; A471-T664 HydrophobicContact CB-CG2 4.05Å; I562-T664 HydrophobicContact CG2-CG2 4.17Å; M660-T664 VanDerWaalsContact O-CB 3.31Å; M660-T664 WeakPolarHBondContact O-CB 3.45Å; M660-T664 PolarHBondContact O-N 3.19Å; M660-T664 PolarHBondContact O-OG1 3.36Å; C661-T664 PolarHBondContact O-N 3.13Å; V662-T664 VanDerWaalsContact C-N 3.34Å; V662-T664 PolarHBondContact O-N 3.4Å; T664-F666 VanDerWaalsContact C-N 3.29Å; T664-F666 PolarHBondContact O-N 3.13Å; T664-L667 PolarHBondContact O-N 3.35Å; T664-C668 WeakPolarHBondContact O-CB 3.46Å; T664-C668 PolarHBondContact O-N 3.43Å; T664-C668 PolarHBondContact O-SG 2.9Å
665L93.5Very high90.9Very high3 Ų310 Ų102%0.0166%0.055CC..Hα-helixtrans-66.3-35.8178.6-61.6-175.5000111.2E347 A348 A351 Y473 Y474 C661 V662 F669E347-L665 HydrophobicContact CB-CD1 4.46Å; A348-L665 HydrophobicContact CB-CD1 3.94Å; A351-L665 HydrophobicContact CB-CD1 4.17Å; Y473-L665 HydrophobicContact CD1-CD2 4.21Å; Y474-L665 HydrophobicContact CD2-CB 4.35Å; Y474-L665 HydrophobicContact CD2-CD2 3.77Å; Y474-L665 HydrophobicContact CG-CD2 4.28Å; C661-L665 VanDerWaalsContact O-CG 3.3Å; C661-L665 WeakPolarHBondContact O-CG 3.14Å; C661-L665 PolarHBondContact O-N 3.06Å; V662-L665 PolarHBondContact O-N 3.08Å; L665-F669 WeakPolarHBondContact O-CB 3.17Å; L665-F669 PolarHBondContact O-N 2.59Å
666F91.4Very high90.7Very high11 Ų1110.3 Ų10.35%0.0486%0.057CC..Hα-helixtrans-67.4-43.5177.7179.1-117.6000111.8L344 R588 V589 L592 V662 D663 T664 F669 L670L344-F666 HydrophobicContact CD1-CD2 3.72Å; L344-F666 HydrophobicContact CD1-CE2 4.46Å; R588-F666 HydrophobicContact CB-CZ 4.35Å; V589-F666 HydrophobicContact CB-CE1 4.1Å; V589-F666 HydrophobicContact CB-CZ 4.48Å; V589-F666 HydrophobicContact CG1-CE1 4.35Å; V589-F666 HydrophobicContact CG2-CE1 3.72Å; V589-F666 HydrophobicContact CG2-CZ 4.05Å; L592-F666 HydrophobicContact CB-CZ 4.45Å; L592-F666 HydrophobicContact CD1-CD2 3.7Å; L592-F666 HydrophobicContact CD1-CE2 3.86Å; L592-F666 HydrophobicContact CD1-CG 4.2Å; L592-F666 HydrophobicContact CD1-CZ 4.46Å; L592-F666 HydrophobicContact CD2-CB 4.38Å; L592-F666 HydrophobicContact CD2-CD1 4.04Å; L592-F666 HydrophobicContact CD2-CD2 4.32Å; L592-F666 HydrophobicContact CD2-CE1 4.38Å; L592-F666 HydrophobicContact CD2-CG 3.99Å; V662-F666 WeakPolarHBondContact O-CB 3.39Å; V662-F666 PolarHBondContact O-N 2.99Å; D663-F666 PolarHBondContact O-N 3.46Å; T664-F666 VanDerWaalsContact C-N 3.29Å; T664-F666 PolarHBondContact O-N 3.13Å; F666-F669 AromaticContact CD2-CD1 3.88Å; F666-F669 HydrophobicContact CD2-CD1 3.88Å; F666-F669 HydrophobicContact CD2-CE1 4.45Å; F666-F669 HydrophobicContact CE2-CD1 4.12Å; F666-F669 HydrophobicContact CE2-CE1 4.29Å; F666-F669 WeakPolarHBondContact O-CB 2.98Å; F666-F669 PolarHBondContact O-N 2.99Å; F666-L670 HydrophobicContact CD1-CD1 4.31Å; F666-L670 HydrophobicContact CD2-CG 4.5Å; F666-L670 HydrophobicContact CE1-CD1 3.74Å; F666-L670 HydrophobicContact CE1-CG 4.29Å; F666-L670 HydrophobicContact CE2-CD1 4.39Å; F666-L670 HydrophobicContact CE2-CD2 4.04Å; F666-L670 HydrophobicContact CE2-CG 4.1Å; F666-L670 HydrophobicContact CZ-CD1 3.78Å; F666-L670 HydrophobicContact CZ-CD2 4.02Å; F666-L670 HydrophobicContact CZ-CG 3.99Å; F666-L670 WeakPolarHBondContact O-CG 3.41Å; F666-L670 PolarHBondContact O-N 3.03Å
667L92.2Very high90.4Very high1 Ų112.1 Ų12.11%0.0056%0.063CC..Hα-helixtrans-64.5-45.9175.8-15581.4000111.3I562 M563 I566 L581 L582 D663 T664 F669 L670 E671I562-L667 HydrophobicContact CB-CD2 3.91Å; I562-L667 HydrophobicContact CG2-CB 4.12Å; I562-L667 HydrophobicContact CG2-CD2 3.46Å; I562-L667 VanDerWaalsContact CG2-CD2 3.46Å; I562-L667 HydrophobicContact CG2-CG 4.43Å; M563-L667 HydrophobicContact CG-CD2 3.76Å; M563-L667 HydrophobicContact SD-CD2 3.46Å; M563-L667 WeakPolarHBondContact SD-CD2 3.4Å; M563-L667 HydrophobicContact SD-CG 4.35Å; I566-L667 HydrophobicContact CD1-CD2 4.46Å; L581-L667 HydrophobicContact CD2-CD1 4.04Å; L581-L667 HydrophobicContact CD2-CG 4Å; L582-L667 HydrophobicContact CD1-CD1 4.43Å; L582-L667 HydrophobicContact CD2-CD1 3.63Å; L582-L667 HydrophobicContact CG-CD1 4.04Å; D663-L667 WeakPolarHBondContact O-CB 3.03Å; D663-L667 PolarHBondContact O-N 3.31Å; T664-L667 PolarHBondContact O-N 3.35Å; L667-F669 PolarHBondContact O-N 3.19Å; L667-L670 PolarHBondContact O-N 3.02Å; L667-E671 PolarHBondContact O-N 3.06Å
668C92.4Very high89.9Confident0 Ų012.1 Ų12.10%06%0.063CC..Hα-helixtrans-58.1-37.9173.3-63.40000111.5Y474 W475 T664 E671 D672Y474-C668 HydrophobicContact CD1-CB 3.38Å; Y474-C668 HydrophobicContact CD2-CB 3.88Å; Y474-C668 HydrophobicContact CE1-CB 3.6Å; Y474-C668 HydrophobicContact CE2-CB 4.07Å; Y474-C668 HydrophobicContact CG-CB 3.54Å; W475-C668 HydrophobicContact CZ2-CB 4.32Å; W475-C668 PolarHBondContact NE1-SG 2.82Å; T664-C668 WeakPolarHBondContact O-CB 3.46Å; T664-C668 PolarHBondContact O-N 3.43Å; T664-C668 PolarHBondContact O-SG 2.9Å; C668-E671 PolarHBondContact O-N 3.22Å; C668-D672 WeakPolarHBondContact O-CB 3.46Å; C668-D672 PolarHBondContact O-N 2.77Å
669F90.4Very high89.6Confident3 Ų313.3 Ų13.31%0.0137%0.071CC..Hα-helixtrans-67.4-43.7177.2159.2-104.4000113.8Y474 L665 F666 L667 E671 D672 L673 M686 L690 L694Y474-F669 HydrophobicContact CE2-CB 4.3Å; Y474-F669 VanDerWaalsContact OH-CA 3.26Å; Y474-F669 WeakPolarHBondContact OH-CA 3.31Å; L665-F669 WeakPolarHBondContact O-CB 3.17Å; L665-F669 PolarHBondContact O-N 2.59Å; F666-F669 AromaticContact CD2-CD1 3.88Å; F666-F669 HydrophobicContact CD2-CD1 3.88Å; F666-F669 HydrophobicContact CD2-CE1 4.45Å; F666-F669 HydrophobicContact CE2-CD1 4.12Å; F666-F669 HydrophobicContact CE2-CE1 4.29Å; F666-F669 WeakPolarHBondContact O-CB 2.98Å; F666-F669 PolarHBondContact O-N 2.99Å; L667-F669 PolarHBondContact O-N 3.19Å; F669-E671 PolarHBondContact O-N 2.85Å; F669-D672 PolarHBondContact O-N 3.45Å; F669-L673 HydrophobicContact CD2-CD1 4.38Å; F669-L673 HydrophobicContact CD2-CG 4.27Å; F669-L673 HydrophobicContact CE1-CD1 3.86Å; F669-L673 HydrophobicContact CE2-CD1 3.61Å; F669-L673 HydrophobicContact CE2-CD2 4.17Å; F669-L673 HydrophobicContact CE2-CG 3.74Å; F669-L673 HydrophobicContact CZ-CD1 3.31Å; F669-L673 HydrophobicContact CZ-CG 4.01Å; F669-L673 WeakPolarHBondContact O-CG 3.23Å; F669-L673 PolarHBondContact O-N 3Å; F669-L673 VanDerWaalsContact O-N 3.07Å; F669-M686 HydrophobicContact CD2-CB 4.47Å; F669-M686 HydrophobicContact CD2-CE 3.94Å; F669-M686 HydrophobicContact CD2-SD 4.05Å; F669-M686 HydrophobicContact CE2-CE 3.9Å; F669-M686 HydrophobicContact CE2-SD 3.82Å; F669-L690 HydrophobicContact CD2-CD2 3.3Å; F669-L690 HydrophobicContact CD2-CG 4.28Å; F669-L690 HydrophobicContact CE2-CD2 3.49Å; F669-L690 VanDerWaalsContact CE2-CD2 3.49Å; F669-L690 HydrophobicContact CE2-CG 3.99Å; F669-L690 HydrophobicContact CG-CD2 3.89Å; F669-L690 HydrophobicContact CZ-CD2 4.23Å; F669-L694 HydrophobicContact CE2-CD1 3.29Å; F669-L694 HydrophobicContact CZ-CD1 3.3Å
670L89.2Confident89Confident1 Ų116.1 Ų16.11%0.0059%0.094CC..Hα-helixtrans-60.2-37.5174.3-70.1-179000110.8L581 L582 N585 V589 F666 L667 E674L581-L670 HydrophobicContact CD1-CB 4.14Å; L581-L670 HydrophobicContact CD2-CB 4.3Å; L581-L670 HydrophobicContact CG-CB 4.21Å; L582-L670 HydrophobicContact CD2-CD1 4.23Å; N585-L670 HydrophobicContact CB-CD1 4.02Å; N585-L670 HydrophobicContact CB-CD2 3.92Å; V589-L670 HydrophobicContact CG2-CD1 4Å; F666-L670 HydrophobicContact CD1-CD1 4.31Å; F666-L670 HydrophobicContact CD2-CG 4.5Å; F666-L670 HydrophobicContact CE1-CD1 3.74Å; F666-L670 HydrophobicContact CE1-CG 4.29Å; F666-L670 HydrophobicContact CE2-CD1 4.39Å; F666-L670 HydrophobicContact CE2-CD2 4.04Å; F666-L670 HydrophobicContact CE2-CG 4.1Å; F666-L670 HydrophobicContact CZ-CD1 3.78Å; F666-L670 HydrophobicContact CZ-CD2 4.02Å; F666-L670 HydrophobicContact CZ-CG 3.99Å; F666-L670 WeakPolarHBondContact O-CG 3.41Å; F666-L670 PolarHBondContact O-N 3.03Å; L667-L670 PolarHBondContact O-N 3.02Å; L670-E674 PolarHBondContact O-N 2.85Å
671E88.9Confident88.3Confident2 Ų223 Ų231%0.00913%0.126CC..Hα-helixtrans-73.8-39.8178.1-173160.1-142.400113.4Y567 L581 L667 C668 F669 L673 E674 R675Y567-E671 WeakPolarHBondContact CE2-OE1 3.25Å; Y567-E671 VanDerWaalsContact CE2-OE2 3.26Å; Y567-E671 WeakPolarHBondContact CE2-OE2 3.42Å; Y567-E671 VanDerWaalsContact CZ-OE1 3.23Å; Y567-E671 PolarHBondContact OH-OE1 3.04Å; Y567-E671 PolarHBondContact OH-OE2 2.95Å; L581-E671 HydrophobicContact CD2-CB 4.27Å; L667-E671 PolarHBondContact O-N 3.06Å; C668-E671 PolarHBondContact O-N 3.22Å; F669-E671 PolarHBondContact O-N 2.85Å; E671-L673 PolarHBondContact O-N 3.22Å; E671-E674 PolarHBondContact O-N 2.85Å; E671-R675 HydrophobicContact CG-CG 4.19Å; E671-R675 VanDerWaalsContact CG-NE 3.32Å; E671-R675 WeakPolarHBondContact O-CG 3.39Å; E671-R675 PolarHBondContact O-N 3.18Å; E671-R675 IonicContact OE1-CZ 3.09Å; E671-R675 IonicContact OE1-NE 3.01Å; E671-R675 PolarHBondContact OE1-NE 2.7Å; E671-R675 IonicContact OE1-NH2 2.67Å; E671-R675 PolarHBondContact OE1-NH2 3.18Å
672D89.4Confident87.8Confident0 Ų027.3 Ų27.30%014%0.142CC..Hα-helixtrans-56.8-38.1172.6-16933.7000110.7Y474 W475 C668 F669 E674 N676 F685 M686Y474-D672 HydrophobicContact CE1-CB 4.18Å; Y474-D672 WeakPolarHBondContact OH-CB 3.48Å; Y474-D672 PolarHBondContact OH-OD2 3.21Å; W475-D672 HydrophobicContact CH2-CB 4.29Å; C668-D672 WeakPolarHBondContact O-CB 3.46Å; C668-D672 PolarHBondContact O-N 2.77Å; F669-D672 PolarHBondContact O-N 3.45Å; D672-E674 VanDerWaalsContact C-N 3.33Å; D672-E674 PolarHBondContact O-N 3.18Å; D672-N676 WeakPolarHBondContact O-CB 3.34Å; D672-N676 PolarHBondContact O-N 3.35Å; D672-N676 PolarHBondContact OD1-ND2 3.26Å; D672-F685 PolarHBondContact OD1-N 2.76Å; D672-F685 PolarHBondContact OD2-N 3.03Å; D672-M686 HydrophobicContact CB-CE 4.44Å; D672-M686 VanDerWaalsContact OD2-CE 3.3Å; D672-M686 WeakPolarHBondContact OD2-CE 3.3Å; D672-M686 PolarHBondContact OD2-N 3.05Å
673L86.3Confident87.5Confident41 Ų4128.8 Ų28.822%0.21515%0.152CC..Hα-helixtrans-67.4-27.2175.5-76.8178.6000114.7F669 E671 Y684 M686F669-L673 HydrophobicContact CD2-CD1 4.38Å; F669-L673 HydrophobicContact CD2-CG 4.27Å; F669-L673 HydrophobicContact CE1-CD1 3.86Å; F669-L673 HydrophobicContact CE2-CD1 3.61Å; F669-L673 HydrophobicContact CE2-CD2 4.17Å; F669-L673 HydrophobicContact CE2-CG 3.74Å; F669-L673 HydrophobicContact CZ-CD1 3.31Å; F669-L673 HydrophobicContact CZ-CG 4.01Å; F669-L673 WeakPolarHBondContact O-CG 3.23Å; F669-L673 PolarHBondContact O-N 3Å; F669-L673 VanDerWaalsContact O-N 3.07Å; E671-L673 PolarHBondContact O-N 3.22Å; L673-Y684 HydrophobicContact CD2-CE1 4.42Å; L673-M686 HydrophobicContact CD2-CE 3.77Å; L673-M686 HydrophobicContact CG-CE 4.16Å
674E86.8Confident87.2Confident45 Ų4528.4 Ų28.421%0.2115%0.149CC..Hα-helixtrans-88.9-35.1-179.6-70.9-173.8-17800112.5P13 Q14 L581 R584 L670 E671 D672P13-E674 HydrophobicContact CB-CB 4.49Å; Q14-E674 PolarHBondContact N-OE2 2.66Å; L581-E674 WeakPolarHBondContact CD1-OE1 3.45Å; R584-E674 IonicContact CZ-OE1 3.11Å; R584-E674 IonicContact CZ-OE2 3.22Å; R584-E674 VanDerWaalsContact CZ-OE2 3.22Å; R584-E674 IonicContact NH1-OE1 3.08Å; R584-E674 PolarHBondContact NH1-OE1 3.01Å; R584-E674 IonicContact NH1-OE2 3.39Å; R584-E674 PolarHBondContact NH1-OE2 3.4Å; R584-E674 IonicContact NH2-OE1 3.14Å; R584-E674 PolarHBondContact NH2-OE1 3.36Å; R584-E674 VanDerWaalsContact NH2-OE1 3.14Å; R584-E674 IonicContact NH2-OE2 2.75Å; R584-E674 PolarHBondContact NH2-OE2 2.98Å; L670-E674 PolarHBondContact O-N 2.85Å; E671-E674 PolarHBondContact O-N 2.85Å; D672-E674 VanDerWaalsContact C-N 3.33Å; D672-E674 PolarHBondContact O-N 3.18Å
675R84.6Confident86.8Confident17 Ų1730.8 Ų30.86%0.06416%0.159CC..Hα-helixtrans-89.9-38.1-173.4-67-179.3179.1-144.2-3.1113.4Q14 Y567 E671Q14-R675 HydrophobicContact CB-CG 4.25Å; Q14-R675 HydrophobicContact CG-CG 4.34Å; Q14-R675 VanDerWaalsContact CG-NE 3.33Å; Q14-R675 WeakPolarHBondContact O-CG 3.28Å; Y567-R675 VanDerWaalsContact CE1-NH2 3.26Å; Y567-R675 PolarHBondContact OH-NH1 3.36Å; Y567-R675 PolarHBondContact OH-NH2 3.49Å; E671-R675 HydrophobicContact CG-CG 4.19Å; E671-R675 VanDerWaalsContact CG-NE 3.32Å; E671-R675 WeakPolarHBondContact O-CG 3.39Å; E671-R675 PolarHBondContact O-N 3.18Å; E671-R675 IonicContact OE1-CZ 3.09Å; E671-R675 IonicContact OE1-NE 3.01Å; E671-R675 PolarHBondContact OE1-NE 2.7Å; E671-R675 IonicContact OE1-NH2 2.67Å; E671-R675 PolarHBondContact OE1-NH2 3.18Å
676N86.8Confident86.4Confident9 Ų930.8 Ų30.85%0.04816%0.159CC..  trans-104.6141.4-171.3-64.2-46.1000110.3D672 R682 Y684D672-N676 WeakPolarHBondContact O-CB 3.34Å; D672-N676 PolarHBondContact O-N 3.35Å; D672-N676 PolarHBondContact OD1-ND2 3.26Å; N676-R682 HydrophobicContact CB-CB 4.46Å; N676-R682 WeakPolarHBondContact CB-O 3.39Å; N676-Y684 HydrophobicContact CB-CD1 3.9Å; N676-Y684 HydrophobicContact CB-CE1 4.2Å; N676-Y684 WeakPolarHBondContact O-CE1 3.43Å; N676-Y684 VanDerWaalsContact O-CZ 3.3Å; N676-Y684 PolarHBondContact O-OH 3.41Å
677D84.4Confident85.9Confident86 Ų8631.6 Ų31.646%0.4617%0.166SC..  trans-111-8.1179.963.91.8000112.5S679 R682 Y684D677-S679 WeakPolarHBondContact OD1-CB 3.43Å; D677-S679 PolarHBondContact OD1-N 3.2Å; D677-S679 PolarHBondContact OD1-OG 2.89Å; D677-R682 PolarHBondContact N-O 3.43Å; D677-Y684 VanDerWaalsContact C-CE2 3.46Å; D677-Y684 WeakPolarHBondContact O-CE2 3.3Å; D677-Y684 PolarHBondContact O-OH 3.22Å
678G81.3Confident85.3Confident0 Ų035.2 Ų35.20%019%0.192CC..SBendtrans90.47.9-177.200000113.5R682 N698 K699G678-R682 WeakPolarHBondContact CA-O 3.45Å; G678-R682 PolarHBondContact N-O 3.24Å; G678-N698 CarbonylContact O-C 3.36Å; G678-N698 WeakPolarHBondContact O-CA 3.39Å; G678-K699 PolarHBondContact O-N 2.81Å
679S83.5Confident84.6Confident26 Ų2638 Ų3818%0.18221%0.209CC..SBendtrans-66166.9169.360.80000112D677 E681 R682 P683D677-S679 WeakPolarHBondContact OD1-CB 3.43Å; D677-S679 PolarHBondContact OD1-N 3.2Å; D677-S679 PolarHBondContact OD1-OG 2.89Å; S679-E681 PolarHBondContact O-N 3.16Å; S679-R682 PolarHBondContact N-O 3.02Å; S679-R682 CarbonylContact O-C 3.52Å; S679-R682 PolarHBondContact O-N 2.95Å; S679-R682 WeakPolarHBondContact OG-CB 3.49Å; S679-R682 PolarHBondContact OG-N 2.75Å; S679-R682 VanDerWaalsContact OG-N 3.1Å; S679-P683 WeakPolarHBondContact O-CA 3.24Å; S679-P683 VanDerWaalsContact O-N 3.11Å
680A79.6Confident84.1Confident68 Ų6838 Ų3856%0.56221%0.209SC*.SBendtrans-62.2-31.7175.800000112.2A701A680-A701 HydrophobicContact CB-CB 4.18Å
681E79.8Confident83.8Confident153 Ų15339.9 Ų39.972%0.71522%0.217SC*.SBendtrans-78.3-30.1175.9-62.5178.2-175.500112.6Y16 S679 P683Y16-E681 PolarHBondContact OH-O 3.19Å; Y16-E681 VanDerWaalsContact OH-O 3.11Å; S679-E681 PolarHBondContact O-N 3.16Å; E681-P683 VanDerWaalsContact C-CD 3.5Å
682R83.9Confident83.4Confident91 Ų9148 Ų4834%0.34325%0.253SS..SBendtrans-130.764.7-176.4-46.7-176.6-178.1172.42.4111.8Y16 N676 D677 G678 S679Y16-R682 HydrophobicContact CD1-CG 4.26Å; Y16-R682 HydrophobicContact CD2-CB 4.21Å; Y16-R682 HydrophobicContact CD2-CG 3.72Å; Y16-R682 HydrophobicContact CE1-CG 4.19Å; Y16-R682 HydrophobicContact CE2-CB 4.11Å; Y16-R682 HydrophobicContact CE2-CG 3.65Å; Y16-R682 HydrophobicContact CG-CG 4.03Å; N676-R682 HydrophobicContact CB-CB 4.46Å; N676-R682 WeakPolarHBondContact CB-O 3.39Å; D677-R682 PolarHBondContact N-O 3.43Å; G678-R682 WeakPolarHBondContact CA-O 3.45Å; G678-R682 PolarHBondContact N-O 3.24Å; S679-R682 PolarHBondContact N-O 3.02Å; S679-R682 CarbonylContact O-C 3.52Å; S679-R682 PolarHBondContact O-N 2.95Å; S679-R682 WeakPolarHBondContact OG-CB 3.49Å; S679-R682 PolarHBondContact OG-N 2.75Å; S679-R682 VanDerWaalsContact OG-N 3.1Å
683P85.5Confident83Confident30 Ų3051.8 Ų51.820%0.19527%0.272CS..  trans-71.3146.2-178.930.1-35.1000110.9S679 E681 F685S679-P683 WeakPolarHBondContact O-CA 3.24Å; S679-P683 VanDerWaalsContact O-N 3.11Å; E681-P683 VanDerWaalsContact C-CD 3.5Å; P683-F685 VanDerWaalsContact O-CD2 3.29Å; P683-F685 WeakPolarHBondContact O-CD2 3.43Å; P683-F685 WeakPolarHBondContact O-CE2 3.42Å; P683-F685 PolarHBondContact O-N 3.15Å
684Y86.8Confident82.6Confident10 Ų1052 Ų524%0.03927%0.273CS..  trans-70130.2167.9-64.1-71.9000110.5L673 N676 D677 M686 K696 N698L673-Y684 HydrophobicContact CD2-CE1 4.42Å; N676-Y684 HydrophobicContact CB-CD1 3.9Å; N676-Y684 HydrophobicContact CB-CE1 4.2Å; N676-Y684 WeakPolarHBondContact O-CE1 3.43Å; N676-Y684 VanDerWaalsContact O-CZ 3.3Å; N676-Y684 PolarHBondContact O-OH 3.41Å; D677-Y684 VanDerWaalsContact C-CE2 3.46Å; D677-Y684 WeakPolarHBondContact O-CE2 3.3Å; D677-Y684 PolarHBondContact O-OH 3.22Å; Y684-M686 HydrophobicContact CD1-CE 3.54Å; Y684-M686 HydrophobicContact CE1-CE 4.18Å; Y684-M686 HydrophobicContact CG-CE 4Å; Y684-K696 HydrophobicContact CD2-CB 4.44Å; Y684-K696 HydrophobicContact CE2-CB 4.11Å; Y684-K696 HydrophobicContact CE2-CD 4.36Å; Y684-N698 WeakPolarHBondContact CB-OD1 3.29Å; Y684-N698 VanDerWaalsContact CD2-OD1 3.3Å; Y684-N698 WeakPolarHBondContact CD2-OD1 3.32Å; Y684-N698 PolarHBondContact N-OD1 2.9Å; Y684-N698 PolarHBondContact O-ND2 3.12Å
685F85.8Confident82.3Confident49 Ų4956.9 Ų56.922%0.21530%0.301CS..  trans-83.7-19.1178.3-72.6-105.3000112.3Y474 W475 L477 D672 P683Y474-F685 HydrophobicContact CD1-CB 4.48Å; Y474-F685 HydrophobicContact CE1-CB 4.03Å; W475-F685 HydrophobicContact CE3-CB 4.31Å; W475-F685 HydrophobicContact CE3-CD1 4.04Å; W475-F685 AromaticContact CE3-CD2 3.9Å; W475-F685 HydrophobicContact CE3-CD2 3.9Å; W475-F685 HydrophobicContact CE3-CE1 4.31Å; W475-F685 HydrophobicContact CE3-CE2 4.22Å; W475-F685 AromaticContact CE3-CG 3.82Å; W475-F685 HydrophobicContact CE3-CG 3.82Å; W475-F685 HydrophobicContact CE3-CZ 4.41Å; W475-F685 HydrophobicContact CZ3-CB 4.47Å; W475-F685 AromaticContact CZ3-CD2 3.76Å; W475-F685 HydrophobicContact CZ3-CD2 3.76Å; W475-F685 HydrophobicContact CZ3-CE2 4.16Å; W475-F685 HydrophobicContact CZ3-CG 4.08Å; W475-F685 WeakPolarHBondContact O-CD1 3.47Å; W475-F685 VanDerWaalsContact O-CE1 3.28Å; W475-F685 WeakPolarHBondContact O-CE1 3.29Å; L477-F685 HydrophobicContact CD1-CE1 4.08Å; L477-F685 HydrophobicContact CD1-CZ 4.34Å; L477-F685 HydrophobicContact CD2-CD1 3.61Å; L477-F685 HydrophobicContact CD2-CE1 3.54Å; L477-F685 HydrophobicContact CD2-CG 4.28Å; L477-F685 HydrophobicContact CD2-CZ 4.11Å; L477-F685 HydrophobicContact CG-CD1 3.97Å; L477-F685 HydrophobicContact CG-CE1 3.5Å; L477-F685 HydrophobicContact CG-CZ 4.2Å; D672-F685 PolarHBondContact OD1-N 2.76Å; D672-F685 PolarHBondContact OD2-N 3.03Å; P683-F685 VanDerWaalsContact O-CD2 3.29Å; P683-F685 WeakPolarHBondContact O-CD2 3.43Å; P683-F685 WeakPolarHBondContact O-CE2 3.42Å; P683-F685 PolarHBondContact O-N 3.15Å
686M84.6Confident82.1Confident4 Ų460.3 Ų60.32%0.0232%0.316CS..SBendtrans-60156.9177.778.9-175.275.200114Y474 F669 D672 L673 Y684 L690 K691 L694Y474-M686 WeakPolarHBondContact OH-CB 3.49Å; F669-M686 HydrophobicContact CD2-CB 4.47Å; F669-M686 HydrophobicContact CD2-CE 3.94Å; F669-M686 HydrophobicContact CD2-SD 4.05Å; F669-M686 HydrophobicContact CE2-CE 3.9Å; F669-M686 HydrophobicContact CE2-SD 3.82Å; D672-M686 HydrophobicContact CB-CE 4.44Å; D672-M686 VanDerWaalsContact OD2-CE 3.3Å; D672-M686 WeakPolarHBondContact OD2-CE 3.3Å; D672-M686 PolarHBondContact OD2-N 3.05Å; L673-M686 HydrophobicContact CD2-CE 3.77Å; L673-M686 HydrophobicContact CG-CE 4.16Å; Y684-M686 HydrophobicContact CD1-CE 3.54Å; Y684-M686 HydrophobicContact CE1-CE 4.18Å; Y684-M686 HydrophobicContact CG-CE 4Å; M686-L690 HydrophobicContact CB-CD2 4.03Å; M686-L690 HydrophobicContact CG-CB 4.37Å; M686-L690 HydrophobicContact CG-CD2 4.46Å; M686-L690 HydrophobicContact SD-CB 4.31Å; M686-L690 HydrophobicContact SD-CD2 4.14Å; M686-L690 HydrophobicContact SD-CG 4.14Å; M686-K691 HydrophobicContact CG-CD 4.49Å; M686-K691 HydrophobicContact CG-CG 3.71Å; M686-K691 VanDerWaalsContact O-CE 3.27Å; M686-K691 WeakPolarHBondContact O-CE 3.36Å; M686-K691 PolarHBondContact O-NZ 3.41Å; M686-K691 HydrophobicContact SD-CG 4.08Å; M686-L694 HydrophobicContact SD-CD1 4.22Å
687S81.9Confident81.7Confident27 Ų2764.9 Ų64.919%0.18935%0.345CS..  trans-64.1157.1-176.684.90000113.4E347 T689 L690 K691E347-S687 WeakPolarHBondContact CG-OG 3.49Å; E347-S687 WeakPolarHBondContact OE1-CB 3.41Å; E347-S687 PolarHBondContact OE1-OG 3.31Å; S687-T689 PolarHBondContact O-N 2.81Å; S687-L690 PolarHBondContact O-N 3.26Å; S687-L690 VanDerWaalsContact O-N 3.15Å; S687-L690 PolarHBondContact OG-N 3.34Å; S687-K691 PolarHBondContact O-N 3.41Å
688S79.2Confident81.5Confident77 Ų7763.4 Ų63.454%0.53834%0.337SS..Hα-helixtrans-59.7-34.1177.655.90000112.8K692S688-K692 WeakPolarHBondContact O-CG 2.93Å; S688-K692 PolarHBondContact O-N 2.96Å
689T77.7Confident81.3Confident58 Ų5870.6 Ų70.636%0.35637%0.368SS..Hα-helixtrans-62-46.8174.8-44.40000111.2S687 K692 L693S687-T689 PolarHBondContact O-N 2.81Å; T689-K692 PolarHBondContact O-N 3.2Å; T689-L693 PolarHBondContact O-N 3.33Å
690L79.9Confident80.1Confident5 Ų579.1 Ų79.13%0.02640%0.402CS..Hα-helixtrans-70.2-39.3-178.2-161.964.3000111.4I340 A343 L344 F669 M686 S687 K692 L693 L694I340-L690 HydrophobicContact CG2-CD1 4.46Å; A343-L690 HydrophobicContact CB-CD1 4.27Å; L344-L690 HydrophobicContact CD2-CD2 3.99Å; L344-L690 HydrophobicContact CG-CD1 4.49Å; F669-L690 HydrophobicContact CD2-CD2 3.3Å; F669-L690 HydrophobicContact CD2-CG 4.28Å; F669-L690 HydrophobicContact CE2-CD2 3.49Å; F669-L690 VanDerWaalsContact CE2-CD2 3.49Å; F669-L690 HydrophobicContact CE2-CG 3.99Å; F669-L690 HydrophobicContact CG-CD2 3.89Å; F669-L690 HydrophobicContact CZ-CD2 4.23Å; M686-L690 HydrophobicContact CB-CD2 4.03Å; M686-L690 HydrophobicContact CG-CB 4.37Å; M686-L690 HydrophobicContact CG-CD2 4.46Å; M686-L690 HydrophobicContact SD-CB 4.31Å; M686-L690 HydrophobicContact SD-CD2 4.14Å; M686-L690 HydrophobicContact SD-CG 4.14Å; S687-L690 PolarHBondContact O-N 3.26Å; S687-L690 VanDerWaalsContact O-N 3.15Å; S687-L690 PolarHBondContact OG-N 3.34Å; L690-K692 PolarHBondContact O-N 3.48Å; L690-L693 PolarHBondContact O-N 3.41Å; L690-L694 HydrophobicContact CD1-CD1 4.41Å; L690-L694 HydrophobicContact CG-CD1 4.02Å; L690-L694 WeakPolarHBondContact O-CG 3.46Å; L690-L694 PolarHBondContact O-N 3.43Å; L690-L694 VanDerWaalsContact O-N 3.08Å
691K83.3Confident78.7Confident39 Ų3979.1 Ų79.117%0.1740%0.402CS..Hα-helixtrans-53.3-51.4170.3-90.6-174.9-72.2-147.60112.2M686 S687 L693 L694 N695 K696 N698M686-K691 HydrophobicContact CG-CD 4.49Å; M686-K691 HydrophobicContact CG-CG 3.71Å; M686-K691 VanDerWaalsContact O-CE 3.27Å; M686-K691 WeakPolarHBondContact O-CE 3.36Å; M686-K691 PolarHBondContact O-NZ 3.41Å; M686-K691 HydrophobicContact SD-CG 4.08Å; S687-K691 PolarHBondContact O-N 3.41Å; K691-L693 PolarHBondContact O-N 3.33Å; K691-L694 PolarHBondContact O-N 3.43Å; K691-N695 PolarHBondContact O-N 2.97Å; K691-K696 CarbonylContact C-O 3.5Å; K691-K696 WeakPolarHBondContact CA-O 3.25Å; K691-K696 WeakPolarHBondContact CB-O 3.44Å; K691-K696 WeakPolarHBondContact CG-O 3.5Å; K691-K696 PolarHBondContact O-N 3.19Å; K691-K696 VanDerWaalsContact O-O 3.14Å; K691-N698 PolarHBondContact NZ-ND2 3.01Å
692K81.1Confident77Confident174 Ų17476.4 Ų76.476%0.75741%0.406SS*.Hα-helixtrans-60.7-43.7176.7-73.7178.4-179.1-174.20112.3S688 T689 L690 L694 N695S688-K692 WeakPolarHBondContact O-CG 2.93Å; S688-K692 PolarHBondContact O-N 2.96Å; T689-K692 PolarHBondContact O-N 3.2Å; L690-K692 PolarHBondContact O-N 3.48Å; K692-L694 VanDerWaalsContact C-N 3.25Å; K692-L694 PolarHBondContact O-N 3.49Å; K692-N695 PolarHBondContact O-N 3.25Å
693L79.7Confident75Confident78 Ų7881.7 Ų81.741%0.40843%0.434SS..Hα-helixtrans-64.9-29.1-178.1-169.466.4000113.2I340 A343 T689 L690 K691I340-L693 HydrophobicContact CB-CD2 4.13Å; I340-L693 HydrophobicContact CG1-CD2 3.54Å; I340-L693 HydrophobicContact CG1-CG 4.3Å; A343-L693 HydrophobicContact CB-CD2 4.19Å; T689-L693 PolarHBondContact O-N 3.33Å; L690-L693 PolarHBondContact O-N 3.41Å; K691-L693 PolarHBondContact O-N 3.33Å
694L79.1Confident72.7Confident45 Ų4589 Ų8924%0.23649%0.487CS..THydrogen-bonded Turntrans-100.73-179.8-64167.1000113.5F669 M686 L690 K691 K692 K696F669-L694 HydrophobicContact CE2-CD1 3.29Å; F669-L694 HydrophobicContact CZ-CD1 3.3Å; M686-L694 HydrophobicContact SD-CD1 4.22Å; L690-L694 HydrophobicContact CD1-CD1 4.41Å; L690-L694 HydrophobicContact CG-CD1 4.02Å; L690-L694 WeakPolarHBondContact O-CG 3.46Å; L690-L694 PolarHBondContact O-N 3.43Å; L690-L694 VanDerWaalsContact O-N 3.08Å; K691-L694 PolarHBondContact O-N 3.43Å; K692-L694 VanDerWaalsContact C-N 3.25Å; K692-L694 PolarHBondContact O-N 3.49Å; L694-K696 VanDerWaalsContact C-N 3.3Å; L694-K696 HydrophobicContact CB-CG 4.16Å; L694-K696 PolarHBondContact O-N 3.02Å
695N79Confident72Confident149 Ų14993 Ų9380%0.79751%0.509SS*.THydrogen-bonded Turntrans53.544.6-174.2-15722.4000113K691 K692K691-N695 PolarHBondContact O-N 2.97Å; K692-N695 PolarHBondContact O-N 3.25Å
696K81.6Confident71.3Confident88 Ų8895.3 Ų95.338%0.38352%0.524SS..  trans-115.6140.1176.2-65.2-65.7-172.91690109.8Y684 K691 L694Y684-K696 HydrophobicContact CD2-CB 4.44Å; Y684-K696 HydrophobicContact CE2-CB 4.11Å; Y684-K696 HydrophobicContact CE2-CD 4.36Å; K691-K696 CarbonylContact C-O 3.5Å; K691-K696 WeakPolarHBondContact CA-O 3.25Å; K691-K696 WeakPolarHBondContact CB-O 3.44Å; K691-K696 WeakPolarHBondContact CG-O 3.5Å; K691-K696 PolarHBondContact O-N 3.19Å; K691-K696 VanDerWaalsContact O-O 3.14Å; L694-K696 VanDerWaalsContact C-N 3.3Å; L694-K696 HydrophobicContact CB-CG 4.16Å; L694-K696 PolarHBondContact O-N 3.02Å
697T77.4Confident70.5Confident106 Ų106100.4 Ų100.465%0.6555%0.552SS**  trans-136.2148.5178.249.90000110.6
698N80.6Confident69.8Low55 Ų55104.7 Ų104.729%0.29457%0.574SS.*PPolyproline II helixtrans-81.5124.9166.1-67.7-9.2000107G678 Y684 K691G678-N698 CarbonylContact O-C 3.36Å; G678-N698 WeakPolarHBondContact O-CA 3.39Å; Y684-N698 WeakPolarHBondContact CB-OD1 3.29Å; Y684-N698 VanDerWaalsContact CD2-OD1 3.3Å; Y684-N698 WeakPolarHBondContact CD2-OD1 3.32Å; Y684-N698 PolarHBondContact N-OD1 2.9Å; Y684-N698 PolarHBondContact O-ND2 3.12Å; K691-N698 PolarHBondContact NZ-ND2 3.01Å
699K77.1Confident69.3Low151 Ų151106.4 Ų106.466%0.65758%0.576SS**PPolyproline II helixtrans-65.8130.3172.4-62.3178.9-178.8177.30107.5G678G678-K699 PolarHBondContact O-N 2.81Å
700K59.4Low68.7Low204 Ų204109.7 Ų109.789%0.88759%0.591SS**PPolyproline II helixtrans-62.8140.6169.7-72.8-174.9175.2-1740107.9A702K700-A702 PolarHBondContact O-N 3.44Å
701A50.3Low67.9Low69 Ų69117.1 Ų117.157%0.5763%0.631SS**PPolyproline II helixtrans-55.8132.2168.100000107.8A680 E703A680-A701 HydrophobicContact CB-CB 4.18Å; A701-E703 PolarHBondContact O-N 2.89Å; A701-E703 VanDerWaalsContact O-N 3.11Å
702A42.3Very low66.7Low96 Ų96123.2 Ų123.279%0.79367%0.666SS**PPolyproline II helixtrans-60.9116.3168.400000106.3K700 S704K700-A702 PolarHBondContact O-N 3.44Å; A702-S704 PolarHBondContact O-N 3.25Å
703E42.7Very low65.5Low201 Ų201118.9 Ų118.994%0.93966%0.659SS**  trans-63.1106.1168.8-71.8169.9177.600106.1A701A701-E703 PolarHBondContact O-N 2.89Å; A701-E703 VanDerWaalsContact O-N 3.11Å
704S37Very low64.2Low185 Ų185122.6 Ų122.6100%1.29468%0.682SS**  trans-91.10171.162.20000110.2A702A702-S704 PolarHBondContact O-N 3.25Å

Retrieved 704 of 704 residues in 604.8 ms (Link to these results)

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