A0A087YPX6_POEFO Loading...

Ankyrin repeat domain 34A

AlphaFold DB , UniProt , Accession A0A087YPX6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 531 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
1M35.2Very low47.6Very low245 Ų24599 Ų99100%1.20763%0.627SS**  0137.60-72.364.1171.400108.2
2G36.9Very low50.8Low77 Ų7794 Ų9479%0.79459%0.592SS**  trans-155.776.4172.400000107.2G4G2-G4 PolarHBondContact O-N 3.3Å
3D35.7Very low53.9Low160 Ų16091.3 Ų91.386%0.85658%0.584SS**  trans-76.272.3178.3-173.921000109.3G5D3-G5 PolarHBondContact O-N 3.06Å
4G39.5Very low56.6Low75 Ų7585.5 Ų85.577%0.77355%0.546SS*.  trans-74.554.3172.700000110.9G2G2-G4 PolarHBondContact O-N 3.3Å
5G40.1Very low58.9Low27 Ų2779.9 Ų79.928%0.27851%0.51SS..PPolyproline II helixtrans-51.7135174.300000109.9D3 L7D3-G5 PolarHBondContact O-N 3.06Å; G5-L7 PolarHBondContact O-N 2.82Å
6P50.9Low60.8Low113 Ų11380.4 Ų80.473%0.73450%0.502SS*.PPolyproline II helixtrans-55.9132.4-170.623-34.1000110.4Q8P6-Q8 PolarHBondContact O-N 3.3Å
7L55.2Low62.7Low26 Ų2675.8 Ų75.814%0.13647%0.473CS..PPolyproline II helixtrans-53.4120.3-176.3-58.2-174000109.5G5 T9 F19 L52G5-L7 PolarHBondContact O-N 2.82Å; L7-T9 HydrophobicContact CB-CG2 3.89Å; L7-T9 PolarHBondContact O-N 3.41Å; L7-T9 PolarHBondContact O-OG1 2.92Å; L7-F19 HydrophobicContact CD1-CD2 3.61Å; L7-F19 HydrophobicContact CD1-CE2 3.56Å; L7-F19 HydrophobicContact CD1-CG 4.36Å; L7-F19 HydrophobicContact CD1-CZ 4.28Å; L7-F19 HydrophobicContact CG-CD2 4.4Å; L7-F19 HydrophobicContact CG-CE2 3.97Å; L7-F19 HydrophobicContact CG-CZ 4.22Å; L7-L52 HydrophobicContact CD1-CB 4.37Å; L7-L52 HydrophobicContact CD1-CD1 4.13Å
8Q54.4Low64.3Low109 Ų10971.6 Ų71.651%0.50945%0.447SS..  trans-70.675.3179.9-76.4163.5-60.700109.5P6 E10P6-Q8 PolarHBondContact O-N 3.3Å; Q8-E10 PolarHBondContact O-N 3.28Å
9T57.1Low65.7Low14 Ų1471.1 Ų71.19%0.08644%0.438CS..  trans-92.536.9-176.744.90000110.2L7 L15L7-T9 HydrophobicContact CB-CG2 3.89Å; L7-T9 PolarHBondContact O-N 3.41Å; L7-T9 PolarHBondContact O-OG1 2.92Å; T9-L15 HydrophobicContact CG2-CB 4.16Å
10E53.5Low66.8Low175 Ų17572.3 Ų72.382%0.81844%0.438SS*.SBendtrans-80.2-19.1-171.6-53.7-152.2135.800112.7Q8Q8-E10 PolarHBondContact O-N 3.28Å
11G64.7Low67.9Low68 Ų6869.5 Ų69.570%0.70143%0.425SS*.SBendtrans-89.8-59.7168.800000114.4A13G11-A13 PolarHBondContact O-N 3.24Å
12N86.4Confident70.6Confident39 Ų3962.9 Ų62.921%0.20939%0.389CS..  trans-89.2100.6-162.8-62.816.3000112.8L14 L15 K16 E38 G39N12-L14 PolarHBondContact O-N 3.32Å; N12-L15 HydrophobicContact CB-CB 4.26Å; N12-L15 HydrophobicContact CB-CD1 3.64Å; N12-L15 HydrophobicContact CB-CG 4.41Å; N12-L15 PolarHBondContact O-N 3.49Å; N12-K16 PolarHBondContact O-N 3.34Å; N12-K16 VanDerWaalsContact O-N 3.15Å; N12-E38 PolarHBondContact ND2-O 3.1Å; N12-E38 VanDerWaalsContact ND2-O 3.13Å; N12-G39 PolarHBondContact ND2-O 2.85Å; N12-G39 VanDerWaalsContact ND2-O 3.07Å
13A90.7Very high73.2Confident59 Ų5961.1 Ų61.149%0.48836%0.361SS..Hα-helixtrans-54.9-35.6176.800000113.6G11 K16 A17 L29G11-A13 PolarHBondContact O-N 3.24Å; A13-K16 PolarHBondContact O-N 3.21Å; A13-A17 WeakPolarHBondContact O-CB 3.23Å; A13-A17 PolarHBondContact O-N 2.99Å; A13-L29 HydrophobicContact CB-CD1 4.32Å
14L92.2Very high76Confident10 Ų1063.9 Ų63.95%0.05236%0.36CS..Hα-helixtrans-62.6-50.7177.1178.863.3000111.8N12 K16 A17 V18 A26 L29 L30 A34 Y35 P46N12-L14 PolarHBondContact O-N 3.32Å; L14-K16 VanDerWaalsContact C-N 3.28Å; L14-K16 PolarHBondContact O-N 2.95Å; L14-A17 PolarHBondContact O-N 2.88Å; L14-V18 HydrophobicContact CD1-CG2 4.2Å; L14-V18 WeakPolarHBondContact O-CB 3.42Å; L14-V18 VanDerWaalsContact O-CG2 3.29Å; L14-V18 WeakPolarHBondContact O-CG2 3.43Å; L14-V18 PolarHBondContact O-N 2.96Å; L14-A26 HydrophobicContact CD1-CB 4.41Å; L14-L29 HydrophobicContact CD1-CB 4.17Å; L14-L30 HydrophobicContact CD1-CD2 3.77Å; L14-L30 HydrophobicContact CD1-CG 4.03Å; L14-L30 HydrophobicContact CD2-CD2 3.53Å; L14-L30 HydrophobicContact CG-CD2 4.32Å; L14-A34 HydrophobicContact CB-CB 4.45Å; L14-A34 HydrophobicContact CD2-CB 4.36Å; L14-Y35 WeakPolarHBondContact CD2-O 3.46Å; L14-P46 HydrophobicContact CD2-CB 4.18Å; L14-P46 HydrophobicContact CD2-CG 3.55Å; L14-P46 HydrophobicContact CG-CB 4.32Å; L14-P46 HydrophobicContact CG-CG 4Å
15L91.2Very high78.5Confident1 Ų164 Ų641%0.00534%0.342CS..Hα-helixtrans-59.1-42.2176.3-84.476.2000111.1T9 N12 A17 V18 F19 E38 N40 E44 P46 A49T9-L15 HydrophobicContact CG2-CB 4.16Å; N12-L15 HydrophobicContact CB-CB 4.26Å; N12-L15 HydrophobicContact CB-CD1 3.64Å; N12-L15 HydrophobicContact CB-CG 4.41Å; N12-L15 PolarHBondContact O-N 3.49Å; L15-A17 VanDerWaalsContact C-N 3.32Å; L15-A17 PolarHBondContact O-N 2.91Å; L15-V18 PolarHBondContact O-N 2.9Å; L15-F19 VanDerWaalsContact O-CB 3.26Å; L15-F19 WeakPolarHBondContact O-CB 3.22Å; L15-F19 PolarHBondContact O-N 3.48Å; L15-E38 WeakPolarHBondContact CD1-O 3.24Å; L15-N40 HydrophobicContact CD2-CB 3.69Å; L15-E44 HydrophobicContact CD2-CB 4.48Å; L15-E44 VanDerWaalsContact CD2-O 3.24Å; L15-E44 WeakPolarHBondContact CD2-O 3.45Å; L15-P46 HydrophobicContact CD1-CG 3.73Å; L15-P46 HydrophobicContact CG-CG 4.45Å; L15-A49 HydrophobicContact CD2-CB 4.35Å; L15-A49 HydrophobicContact CG-CB 4.18Å
16K89.8Confident81.1Confident89 Ų8962.8 Ų62.839%0.38733%0.329SS..Hα-helixtrans-64.1-36.4179.4-162.1162.9-171.3160.80112.2N12 A13 L14 Q20N12-K16 PolarHBondContact O-N 3.34Å; N12-K16 VanDerWaalsContact O-N 3.15Å; A13-K16 PolarHBondContact O-N 3.21Å; L14-K16 VanDerWaalsContact C-N 3.28Å; L14-K16 PolarHBondContact O-N 2.95Å; K16-Q20 WeakPolarHBondContact O-CB 3.48Å; K16-Q20 WeakPolarHBondContact O-CG 3.49Å; K16-Q20 PolarHBondContact O-N 3.46Å
17A91.9Very high83.2Confident2 Ų262.3 Ų62.32%0.01731%0.313CS..Hα-helixtrans-69.1-42.2172.900000112.6A13 L14 L15 Q20 G21 K22 L25 L29A13-A17 WeakPolarHBondContact O-CB 3.23Å; A13-A17 PolarHBondContact O-N 2.99Å; L14-A17 PolarHBondContact O-N 2.88Å; L15-A17 VanDerWaalsContact C-N 3.32Å; L15-A17 PolarHBondContact O-N 2.91Å; A17-Q20 PolarHBondContact O-N 2.67Å; A17-G21 PolarHBondContact O-N 2.87Å; A17-K22 PolarHBondContact O-N 3.22Å; A17-L25 HydrophobicContact CB-CB 4.11Å; A17-L25 HydrophobicContact CB-CD2 3.7Å; A17-L25 HydrophobicContact CB-CG 3.72Å; A17-L29 HydrophobicContact CB-CD1 3.89Å
18V92.6Very high85.1Confident0 Ų066.6 Ų66.60%034%0.335CS..Hα-helixtrans-68.7-47-179167.40000112L14 L15 Q20 G21 A26 P46 A50 Y55 M64 L68L14-V18 HydrophobicContact CD1-CG2 4.2Å; L14-V18 WeakPolarHBondContact O-CB 3.42Å; L14-V18 VanDerWaalsContact O-CG2 3.29Å; L14-V18 WeakPolarHBondContact O-CG2 3.43Å; L14-V18 PolarHBondContact O-N 2.96Å; L15-V18 PolarHBondContact O-N 2.9Å; V18-Q20 VanDerWaalsContact C-N 3.25Å; V18-Q20 PolarHBondContact O-N 3.22Å; V18-G21 PolarHBondContact O-N 3.22Å; V18-A26 HydrophobicContact CG2-CB 3.92Å; V18-P46 VanDerWaalsContact CG1-O 3.3Å; V18-P46 WeakPolarHBondContact CG1-O 3.28Å; V18-A50 HydrophobicContact CG1-CB 3.62Å; V18-Y55 WeakPolarHBondContact O-CE1 3.36Å; V18-Y55 PolarHBondContact O-OH 2.87Å; V18-M64 HydrophobicContact CB-SD 4.38Å; V18-M64 HydrophobicContact CG1-CG 3.87Å; V18-M64 HydrophobicContact CG1-SD 4.29Å; V18-M64 HydrophobicContact CG2-SD 3.97Å; V18-L68 HydrophobicContact CG1-CD1 4.05Å; V18-L68 HydrophobicContact CG2-CD1 4.37Å; V18-L68 HydrophobicContact CG2-CD2 4.41Å
19F89.3Confident87Confident61 Ų6163.6 Ų63.627%0.26832%0.322SS..Hα-helixtrans-61.7-32.9176.4-173.6-102.9000112.1L7 L15 G21 L52L7-F19 HydrophobicContact CD1-CD2 3.61Å; L7-F19 HydrophobicContact CD1-CE2 3.56Å; L7-F19 HydrophobicContact CD1-CG 4.36Å; L7-F19 HydrophobicContact CD1-CZ 4.28Å; L7-F19 HydrophobicContact CG-CD2 4.4Å; L7-F19 HydrophobicContact CG-CE2 3.97Å; L7-F19 HydrophobicContact CG-CZ 4.22Å; L15-F19 VanDerWaalsContact O-CB 3.26Å; L15-F19 WeakPolarHBondContact O-CB 3.22Å; L15-F19 PolarHBondContact O-N 3.48Å; F19-G21 VanDerWaalsContact C-N 3.33Å; F19-L52 HydrophobicContact CE2-CB 4.35Å
20Q88.5Confident88.7Confident95 Ų9563.9 Ų63.944%0.44432%0.323SS..THydrogen-bonded Turntrans-84.74.1174.6-67.2178.112.300114.4K16 A17 V18 K22K16-Q20 WeakPolarHBondContact O-CB 3.48Å; K16-Q20 WeakPolarHBondContact O-CG 3.49Å; K16-Q20 PolarHBondContact O-N 3.46Å; A17-Q20 PolarHBondContact O-N 2.67Å; V18-Q20 VanDerWaalsContact C-N 3.25Å; V18-Q20 PolarHBondContact O-N 3.22Å; Q20-K22 HydrophobicContact CB-CD 4.07Å; Q20-K22 HydrophobicContact CB-CG 4.17Å; Q20-K22 PolarHBondContact O-N 3.03Å
21G89.3Confident90.6Very high15 Ų1561.6 Ų61.616%0.15531%0.313CS..THydrogen-bonded Turntrans73.98.817500000114.4A17 V18 F19 L23A17-G21 PolarHBondContact O-N 2.87Å; V18-G21 PolarHBondContact O-N 3.22Å; F19-G21 VanDerWaalsContact C-N 3.33Å; G21-L23 PolarHBondContact O-N 2.88Å
22K91.8Very high91.9Very high105 Ų10561.6 Ų61.646%0.45731%0.313SS..  trans-79.768.6-172.1-68174.4177.41700110.8A17 Q20 R24 L25 A26A17-K22 PolarHBondContact O-N 3.22Å; Q20-K22 HydrophobicContact CB-CD 4.07Å; Q20-K22 HydrophobicContact CB-CG 4.17Å; Q20-K22 PolarHBondContact O-N 3.03Å; K22-R24 PolarHBondContact O-N 2.86Å; K22-R24 VanDerWaalsContact O-N 3.12Å; K22-L25 HydrophobicContact CB-CB 3.88Å; K22-L25 HydrophobicContact CB-CD2 4.49Å; K22-L25 HydrophobicContact CD-CD2 4.34Å; K22-L25 WeakPolarHBondContact O-CA 3.31Å; K22-L25 WeakPolarHBondContact O-CB 3.32Å; K22-L25 PolarHBondContact O-N 3.48Å; K22-A26 PolarHBondContact O-N 2.92Å
23L92.3Very high92Very high40 Ų4062.3 Ų62.321%0.20933%0.329CS..Hα-helixtrans-52.5-37.1-175.9-17764.3000113.1G21 R27 R63 M64 Y67G21-L23 PolarHBondContact O-N 2.88Å; L23-R27 WeakPolarHBondContact O-CB 3.28Å; L23-R27 WeakPolarHBondContact O-CD 3.48Å; L23-R27 VanDerWaalsContact O-CG 3.24Å; L23-R27 WeakPolarHBondContact O-CG 3.48Å; L23-R27 PolarHBondContact O-N 2.85Å; L23-R63 HydrophobicContact CD2-CB 4.25Å; L23-M64 HydrophobicContact CB-CE 4.12Å; L23-M64 HydrophobicContact CD1-CE 4.43Å; L23-M64 HydrophobicContact CD1-SD 3.85Å; L23-Y67 HydrophobicContact CD1-CD1 4.02Å; L23-Y67 HydrophobicContact CD1-CG 4.12Å
24R93.8Very high92.1Very high219 Ų21961 Ų6183%0.82632%0.318SS*.Hα-helixtrans-64.6-37.8173.6-73.4-175.6174-179.2-1.8113.1K22 L28K22-R24 PolarHBondContact O-N 2.86Å; K22-R24 VanDerWaalsContact O-N 3.12Å; R24-L28 WeakPolarHBondContact O-CG 3.38Å; R24-L28 PolarHBondContact O-N 2.95Å
25L93.7Very high92Very high78 Ų7868.4 Ų68.441%0.40835%0.346SS..Hα-helixtrans-75.2-41.3177.3-178.360.6000111.1A17 K22 R27 L28 L29A17-L25 HydrophobicContact CB-CB 4.11Å; A17-L25 HydrophobicContact CB-CD2 3.7Å; A17-L25 HydrophobicContact CB-CG 3.72Å; K22-L25 HydrophobicContact CB-CB 3.88Å; K22-L25 HydrophobicContact CB-CD2 4.49Å; K22-L25 HydrophobicContact CD-CD2 4.34Å; K22-L25 WeakPolarHBondContact O-CA 3.31Å; K22-L25 WeakPolarHBondContact O-CB 3.32Å; K22-L25 PolarHBondContact O-N 3.48Å; L25-R27 VanDerWaalsContact C-N 3.31Å; L25-R27 PolarHBondContact O-N 3.32Å; L25-L28 PolarHBondContact O-N 3.42Å; L25-L29 HydrophobicContact CD1-CD1 4.33Å; L25-L29 HydrophobicContact CD1-CG 4.36Å; L25-L29 HydrophobicContact CG-CD1 4.05Å; L25-L29 WeakPolarHBondContact O-CB 3.38Å; L25-L29 VanDerWaalsContact O-CG 3.28Å; L25-L29 WeakPolarHBondContact O-CG 3.38Å; L25-L29 PolarHBondContact O-N 3.31Å
26A93.6Very high92Very high0 Ų070.1 Ų70.10%036%0.355CS..Hα-helixtrans-59.1-42.2173.500000111.6L14 V18 K22 L29 L30 M64L14-A26 HydrophobicContact CD1-CB 4.41Å; V18-A26 HydrophobicContact CG2-CB 3.92Å; K22-A26 PolarHBondContact O-N 2.92Å; A26-L29 PolarHBondContact O-N 3.14Å; A26-L30 WeakPolarHBondContact O-CG 3.27Å; A26-L30 PolarHBondContact O-N 3.29Å; A26-M64 HydrophobicContact CB-SD 4Å
27R94.5Very high92Very high104 Ų10468.5 Ų68.539%0.39235%0.351SS..Hα-helixtrans-55.3-56.4172-80.4166179.5-139.6-4.6112.5L23 L25 L29 L30 E31 Y67L23-R27 WeakPolarHBondContact O-CB 3.28Å; L23-R27 WeakPolarHBondContact O-CD 3.48Å; L23-R27 VanDerWaalsContact O-CG 3.24Å; L23-R27 WeakPolarHBondContact O-CG 3.48Å; L23-R27 PolarHBondContact O-N 2.85Å; L25-R27 VanDerWaalsContact C-N 3.31Å; L25-R27 PolarHBondContact O-N 3.32Å; R27-L29 VanDerWaalsContact C-N 3.26Å; R27-L29 PolarHBondContact O-N 3.4Å; R27-L30 PolarHBondContact O-N 3.5Å; R27-E31 WeakPolarHBondContact O-CB 3.33Å; R27-E31 WeakPolarHBondContact O-CG 3.04Å; R27-E31 PolarHBondContact O-N 3.09Å; R27-Y67 WeakPolarHBondContact CA-OH 3.25Å; R27-Y67 HydrophobicContact CB-CE1 4.31Å; R27-Y67 HydrophobicContact CG-CD1 4.12Å; R27-Y67 HydrophobicContact CG-CD2 4.41Å; R27-Y67 HydrophobicContact CG-CE1 3.49Å; R27-Y67 VanDerWaalsContact CG-CE1 3.49Å; R27-Y67 HydrophobicContact CG-CE2 3.8Å; R27-Y67 WeakPolarHBondContact CG-OH 3.38Å
28L95.6Very high91.9Very high115 Ų11573 Ų7360%0.60237%0.372SS*.Hα-helixtrans-61.2-32.4-179.8-70.3170.4000113.2R24 L25 G32R24-L28 WeakPolarHBondContact O-CG 3.38Å; R24-L28 PolarHBondContact O-N 2.95Å; L25-L28 PolarHBondContact O-N 3.42Å; L28-G32 PolarHBondContact O-N 2.71Å
29L94Very high91.6Very high46 Ų4674.7 Ų74.724%0.24139%0.389CS..Hα-helixtrans-71.7-42.2176.3-71.6169.8000112.1A13 L14 A17 L25 A26 R27 G32 G33 A34A13-L29 HydrophobicContact CB-CD1 4.32Å; L14-L29 HydrophobicContact CD1-CB 4.17Å; A17-L29 HydrophobicContact CB-CD1 3.89Å; L25-L29 HydrophobicContact CD1-CD1 4.33Å; L25-L29 HydrophobicContact CD1-CG 4.36Å; L25-L29 HydrophobicContact CG-CD1 4.05Å; L25-L29 WeakPolarHBondContact O-CB 3.38Å; L25-L29 VanDerWaalsContact O-CG 3.28Å; L25-L29 WeakPolarHBondContact O-CG 3.38Å; L25-L29 PolarHBondContact O-N 3.31Å; A26-L29 PolarHBondContact O-N 3.14Å; R27-L29 VanDerWaalsContact C-N 3.26Å; R27-L29 PolarHBondContact O-N 3.4Å; L29-G32 CarbonylContact O-C 3.58Å; L29-G32 PolarHBondContact O-N 2.83Å; L29-G33 PolarHBondContact O-N 2.83Å; L29-A34 HydrophobicContact CB-CB 4.22Å; L29-A34 WeakPolarHBondContact O-CB 3.5Å; L29-A34 PolarHBondContact O-N 2.9Å
30L93.1Very high91.6Very high20 Ų2072.6 Ų72.611%0.10538%0.381CS..Hα-helixtrans-69.5-38.9175.1-66.5-168.9000112.4L14 A26 R27 G32 G33 A34 I36 Y67 L68 K71L14-L30 HydrophobicContact CD1-CD2 3.77Å; L14-L30 HydrophobicContact CD1-CG 4.03Å; L14-L30 HydrophobicContact CD2-CD2 3.53Å; L14-L30 HydrophobicContact CG-CD2 4.32Å; A26-L30 WeakPolarHBondContact O-CG 3.27Å; A26-L30 PolarHBondContact O-N 3.29Å; R27-L30 PolarHBondContact O-N 3.5Å; L30-G32 PolarHBondContact O-N 2.94Å; L30-G33 PolarHBondContact O-N 3.32Å; L30-A34 HydrophobicContact CD2-CB 4.46Å; L30-A34 VanDerWaalsContact CD2-O 3.31Å; L30-A34 WeakPolarHBondContact CD2-O 3.48Å; L30-I36 HydrophobicContact CD1-CG1 4.08Å; L30-I36 HydrophobicContact CD2-CB 4.46Å; L30-I36 HydrophobicContact CD2-CG1 3.52Å; L30-I36 HydrophobicContact CG-CG1 4.4Å; L30-Y67 HydrophobicContact CD1-CE1 3.83Å; L30-L68 HydrophobicContact CD1-CD2 4.24Å; L30-K71 HydrophobicContact CD1-CB 4.12Å; L30-K71 HydrophobicContact CD1-CG 3.92Å
31E93.3Very high91.5Very high128 Ų12875.4 Ų75.460%0.59839%0.394SS*.Hα-helixtrans-65.7-29172.6-71.9159.4-162.200111.7R27 G33R27-E31 WeakPolarHBondContact O-CB 3.33Å; R27-E31 WeakPolarHBondContact O-CG 3.04Å; R27-E31 PolarHBondContact O-N 3.09Å; E31-G33 VanDerWaalsContact C-N 3.27Å; E31-G33 PolarHBondContact O-N 3.43Å
32G92.1Very high91.3Very high68 Ų6879.3 Ų79.370%0.70140%0.404SS*.THydrogen-bonded Turntrans-79.44169.300000115.4L28 L29 L30L28-G32 PolarHBondContact O-N 2.71Å; L29-G32 CarbonylContact O-C 3.58Å; L29-G32 PolarHBondContact O-N 2.83Å; L30-G32 PolarHBondContact O-N 2.94Å
33G89.3Confident91.1Very high53 Ų5375.2 Ų75.255%0.54639%0.392SS..THydrogen-bonded Turntrans85.817.8175.100000116.2L29 L30 E31L29-G33 PolarHBondContact O-N 2.83Å; L30-G33 PolarHBondContact O-N 3.32Å; E31-G33 VanDerWaalsContact C-N 3.27Å; E31-G33 PolarHBondContact O-N 3.43Å
34A91.4Very high91Very high32 Ų3273.9 Ų73.926%0.26438%0.384SS..  trans-64.2136170.300000111.1L14 L29 L30 I36L14-A34 HydrophobicContact CB-CB 4.45Å; L14-A34 HydrophobicContact CD2-CB 4.36Å; L29-A34 HydrophobicContact CB-CB 4.22Å; L29-A34 WeakPolarHBondContact O-CB 3.5Å; L29-A34 PolarHBondContact O-N 2.9Å; L30-A34 HydrophobicContact CD2-CB 4.46Å; L30-A34 VanDerWaalsContact CD2-O 3.31Å; L30-A34 WeakPolarHBondContact CD2-O 3.48Å; A34-I36 PolarHBondContact O-N 2.97Å
35Y90.5Very high90.9Very high165 Ų16563.5 Ų63.565%0.64735%0.345SS*.  trans-73.9128.9-175.2-60.9-85.5000111.7L14 N37 E38L14-Y35 WeakPolarHBondContact CD2-O 3.46Å; Y35-N37 VanDerWaalsContact C-N 3.31Å; Y35-N37 PolarHBondContact O-N 3.1Å; Y35-E38 VanDerWaalsContact CD2-CD 3.47Å; Y35-E38 HydrophobicContact CD2-CG 4.33Å; Y35-E38 VanDerWaalsContact CD2-OE1 3.31Å; Y35-E38 WeakPolarHBondContact CD2-OE1 3.3Å; Y35-E38 HydrophobicContact CG-CG 4.33Å; Y35-E38 PolarHBondContact O-N 3.35Å
36I90.8Very high90.8Very high38 Ų3859.8 Ų59.820%0.19533%0.326CS..THydrogen-bonded Turntrans-74-24.1-170-58.1153.8000112.5L30 A34 P46 K71 A73L30-I36 HydrophobicContact CD1-CG1 4.08Å; L30-I36 HydrophobicContact CD2-CB 4.46Å; L30-I36 HydrophobicContact CD2-CG1 3.52Å; L30-I36 HydrophobicContact CG-CG1 4.4Å; A34-I36 PolarHBondContact O-N 2.97Å; I36-P46 WeakPolarHBondContact O-CD 3.35Å; I36-P46 WeakPolarHBondContact O-CG 3.27Å; I36-K71 HydrophobicContact CD1-CB 3.77Å; I36-K71 WeakPolarHBondContact CD1-O 3.5Å; I36-K71 HydrophobicContact CG1-CB 4.47Å; I36-A73 HydrophobicContact CG2-CB 3.52Å
37N91.1Very high90.8Very high55 Ų5559.8 Ų59.829%0.29433%0.326SS..THydrogen-bonded Turntrans-108.512.3-178.6-68.8-25.4000113Y35 G39 A73 D74 I77Y35-N37 VanDerWaalsContact C-N 3.31Å; Y35-N37 PolarHBondContact O-N 3.1Å; N37-G39 PolarHBondContact O-N 2.97Å; N37-G39 VanDerWaalsContact O-N 3.11Å; N37-A73 WeakPolarHBondContact OD1-CA 3.47Å; N37-D74 PolarHBondContact ND2-OD2 2.83Å; N37-D74 PolarHBondContact OD1-N 3.39Å; N37-I77 HydrophobicContact CB-CD1 3.74Å
38E88.4Confident90.7Very high96 Ų9654.8 Ų54.845%0.44931%0.307SS..  trans-70.5105.6177.7-101.7179.1166.300111.7N12 L15 Y35N12-E38 PolarHBondContact ND2-O 3.1Å; N12-E38 VanDerWaalsContact ND2-O 3.13Å; L15-E38 WeakPolarHBondContact CD1-O 3.24Å; Y35-E38 VanDerWaalsContact CD2-CD 3.47Å; Y35-E38 HydrophobicContact CD2-CG 4.33Å; Y35-E38 VanDerWaalsContact CD2-OE1 3.31Å; Y35-E38 WeakPolarHBondContact CD2-OE1 3.3Å; Y35-E38 HydrophobicContact CG-CG 4.33Å; Y35-E38 PolarHBondContact O-N 3.35Å
39G87.2Confident90.4Very high35 Ų3549.3 Ų49.336%0.36128%0.278SS..  trans-66.8150.6172.200000112.9N12 N37 E44N12-G39 PolarHBondContact ND2-O 2.85Å; N12-G39 VanDerWaalsContact ND2-O 3.07Å; N37-G39 PolarHBondContact O-N 2.97Å; N37-G39 VanDerWaalsContact O-N 3.11Å; G39-E44 CarbonylContact C-O 3.59Å; G39-E44 VanDerWaalsContact CA-O 3.25Å; G39-E44 WeakPolarHBondContact CA-O 3.16Å
40N88.5Confident90.3Very high18 Ų1847.1 Ų47.110%0.09627%0.267CS..  trans-81.1-170.5166.967.76.9000112L15 R42 G43 E44L15-N40 HydrophobicContact CD2-CB 3.69Å; N40-R42 PolarHBondContact O-N 3.07Å; N40-R42 VanDerWaalsContact OD1-CA 3.32Å; N40-R42 WeakPolarHBondContact OD1-CA 3.2Å; N40-R42 WeakPolarHBondContact OD1-CB 3.48Å; N40-R42 PolarHBondContact OD1-N 3.09Å; N40-G43 PolarHBondContact O-N 3.3Å; N40-G43 PolarHBondContact OD1-N 3.16Å; N40-E44 PolarHBondContact N-O 2.96Å; N40-E44 PolarHBondContact ND2-OE2 3.19Å; N40-E44 WeakPolarHBondContact OD1-CB 3.37Å; N40-E44 PolarHBondContact OD1-N 3.38Å
41E87.4Confident90.2Very high154 Ų15446.2 Ų46.272%0.7226%0.262SS*.THydrogen-bonded Turntrans-59.6-15.6175.3-63.7-169.7175.700114.8K80E41-K80 WeakPolarHBondContact O-CD 3.35Å; E41-K80 WeakPolarHBondContact O-CE 3.5Å; E41-K80 PolarHBondContact O-NZ 3Å
42R85.1Confident89.9Confident96 Ų9641.7 Ų41.736%0.36224%0.242SC..THydrogen-bonded Turntrans-96.9-0.1175-61.2179.8176-135.7-3.7112.4N40 E44 K80N40-R42 PolarHBondContact O-N 3.07Å; N40-R42 VanDerWaalsContact OD1-CA 3.32Å; N40-R42 WeakPolarHBondContact OD1-CA 3.2Å; N40-R42 WeakPolarHBondContact OD1-CB 3.48Å; N40-R42 PolarHBondContact OD1-N 3.09Å; R42-E44 VanDerWaalsContact CB-CD 3.46Å; R42-E44 HydrophobicContact CB-CG 3.91Å; R42-E44 VanDerWaalsContact CB-OE1 3.31Å; R42-E44 WeakPolarHBondContact CB-OE1 3.17Å; R42-E44 WeakPolarHBondContact CD-OE1 3.22Å; R42-E44 PolarHBondContact O-N 2.99Å; R42-K80 VanDerWaalsContact O-CB 3.22Å; R42-K80 WeakPolarHBondContact O-CB 3.48Å; R42-K80 WeakPolarHBondContact O-CG 3.33Å; R42-K80 PolarHBondContact O-N 3.29Å
43G87.4Confident89.5Confident20 Ų2038.5 Ų38.521%0.20621%0.209CC..  trans74.23.1-172.400000113.5N40 T45N40-G43 PolarHBondContact O-N 3.3Å; N40-G43 PolarHBondContact OD1-N 3.16Å; G43-T45 PolarHBondContact O-N 3.5Å
44E89.5Confident89.1Confident11 Ų1141 Ų415%0.05122%0.218CC..  trans-66.4123.2179.1-63.4150.6-173.300108.5L15 G39 N40 R42 S48 L52 D79L15-E44 HydrophobicContact CD2-CB 4.48Å; L15-E44 VanDerWaalsContact CD2-O 3.24Å; L15-E44 WeakPolarHBondContact CD2-O 3.45Å; G39-E44 CarbonylContact C-O 3.59Å; G39-E44 VanDerWaalsContact CA-O 3.25Å; G39-E44 WeakPolarHBondContact CA-O 3.16Å; N40-E44 PolarHBondContact N-O 2.96Å; N40-E44 PolarHBondContact ND2-OE2 3.19Å; N40-E44 WeakPolarHBondContact OD1-CB 3.37Å; N40-E44 PolarHBondContact OD1-N 3.38Å; R42-E44 VanDerWaalsContact CB-CD 3.46Å; R42-E44 HydrophobicContact CB-CG 3.91Å; R42-E44 VanDerWaalsContact CB-OE1 3.31Å; R42-E44 WeakPolarHBondContact CB-OE1 3.17Å; R42-E44 WeakPolarHBondContact CD-OE1 3.22Å; R42-E44 PolarHBondContact O-N 2.99Å; E44-S48 WeakPolarHBondContact CA-OG 3.35Å; E44-L52 HydrophobicContact CG-CD1 4.39Å; E44-D79 WeakPolarHBondContact CA-OD1 3.36Å; E44-D79 HydrophobicContact CG-CB 4.4Å; E44-D79 WeakPolarHBondContact CG-OD2 3.36Å
45T92.1Very high88.8Confident1 Ų140.6 Ų40.61%0.00621%0.21CC..  trans-82.7166.6175.456.20000110.4G43 I47 S48 A49 I77G43-T45 PolarHBondContact O-N 3.5Å; T45-I47 PolarHBondContact O-N 2.77Å; T45-I47 WeakPolarHBondContact OG1-CG2 3.27Å; T45-S48 PolarHBondContact N-OG 2.94Å; T45-S48 PolarHBondContact O-N 3.37Å; T45-S48 PolarHBondContact O-OG 3.47Å; T45-S48 PolarHBondContact OG1-N 3.43Å; T45-S48 VanDerWaalsContact OG1-N 3.15Å; T45-S48 PolarHBondContact OG1-OG 2.89Å; T45-A49 VanDerWaalsContact O-CB 3.3Å; T45-A49 WeakPolarHBondContact O-CB 3.24Å; T45-A49 PolarHBondContact O-N 3.38Å; T45-I77 HydrophobicContact CG2-CB 3.88Å; T45-I77 HydrophobicContact CG2-CD1 4.04Å; T45-I77 HydrophobicContact CG2-CG2 3.58Å
46P92.4Very high88.4Confident0 Ų041.1 Ų41.10%022%0.224CC..Hα-helixtrans-51-36.5168.4-29.738.3000113.1L14 L15 V18 I36 A50 L68L14-P46 HydrophobicContact CD2-CB 4.18Å; L14-P46 HydrophobicContact CD2-CG 3.55Å; L14-P46 HydrophobicContact CG-CB 4.32Å; L14-P46 HydrophobicContact CG-CG 4Å; L15-P46 HydrophobicContact CD1-CG 3.73Å; L15-P46 HydrophobicContact CG-CG 4.45Å; V18-P46 VanDerWaalsContact CG1-O 3.3Å; V18-P46 WeakPolarHBondContact CG1-O 3.28Å; I36-P46 WeakPolarHBondContact O-CD 3.35Å; I36-P46 WeakPolarHBondContact O-CG 3.27Å; P46-A50 WeakPolarHBondContact O-CB 3.37Å; P46-A50 PolarHBondContact O-N 3.11Å; P46-L68 HydrophobicContact CB-CD1 4.28Å; P46-L68 HydrophobicContact CB-CD2 4.07Å
47I93.3Very high88.1Confident0 Ų041.9 Ų41.90%023%0.228CC..Hα-helixtrans-79.2-33.8-179-167.7162.7000113.6T45 A50 C51 V65 L68 L69 A73 P75 A85 L102T45-I47 PolarHBondContact O-N 2.77Å; T45-I47 WeakPolarHBondContact OG1-CG2 3.27Å; I47-A50 PolarHBondContact O-N 3.07Å; I47-C51 PolarHBondContact O-N 2.94Å; I47-C51 PolarHBondContact O-SG 2.99Å; I47-C51 VanDerWaalsContact O-SG 3.34Å; I47-V65 HydrophobicContact CD1-CG1 4.41Å; I47-L68 HydrophobicContact CB-CD1 4.38Å; I47-L69 HydrophobicContact CD1-CD1 4.36Å; I47-L69 HydrophobicContact CD1-CD2 3.34Å; I47-L69 HydrophobicContact CD1-CG 3.67Å; I47-A73 HydrophobicContact CB-CB 4.18Å; I47-A73 HydrophobicContact CD1-CB 4.11Å; I47-A73 HydrophobicContact CG2-CB 4.28Å; I47-P75 HydrophobicContact CD1-CB 4.37Å; I47-A85 HydrophobicContact CB-CB 4.49Å; I47-A85 HydrophobicContact CG1-CB 4.11Å; I47-A85 HydrophobicContact CG2-CB 4.06Å; I47-L102 HydrophobicContact CD1-CD2 3.65Å; I47-L102 HydrophobicContact CG1-CD2 4.07Å
48S91.7Very high87.6Confident0 Ų043.3 Ų43.30%024%0.241CC..Hα-helixtrans-69.9-37.2167.749.70000111.9E44 T45 A50 C51 L52 D79E44-S48 WeakPolarHBondContact CA-OG 3.35Å; T45-S48 PolarHBondContact N-OG 2.94Å; T45-S48 PolarHBondContact O-N 3.37Å; T45-S48 PolarHBondContact O-OG 3.47Å; T45-S48 PolarHBondContact OG1-N 3.43Å; T45-S48 VanDerWaalsContact OG1-N 3.15Å; T45-S48 PolarHBondContact OG1-OG 2.89Å; S48-A50 VanDerWaalsContact C-N 3.29Å; S48-A50 PolarHBondContact O-N 3.35Å; S48-C51 PolarHBondContact O-N 3.42Å; S48-C51 VanDerWaalsContact O-N 3.08Å; S48-L52 WeakPolarHBondContact O-CG 3.32Å; S48-L52 PolarHBondContact O-N 3.18Å; S48-D79 PolarHBondContact OG-OD1 2.86Å
49A90.6Very high87.5Confident0 Ų042.3 Ų42.30%024%0.236CC..Hα-helixtrans-61.6-33.3170.400000113.1L15 T45 C51 L52 G53L15-A49 HydrophobicContact CD2-CB 4.35Å; L15-A49 HydrophobicContact CG-CB 4.18Å; T45-A49 VanDerWaalsContact O-CB 3.3Å; T45-A49 WeakPolarHBondContact O-CB 3.24Å; T45-A49 PolarHBondContact O-N 3.38Å; A49-C51 VanDerWaalsContact C-N 3.29Å; A49-C51 PolarHBondContact O-N 3.18Å; A49-L52 PolarHBondContact O-N 3.12Å; A49-G53 PolarHBondContact O-N 2.92Å
50A91.6Very high87.6Confident0 Ų042.5 Ų42.50%023%0.23CC..Hα-helixtrans-69-25.2173.700000113.4V18 P46 I47 S48 Y55 R61 M64 V65 L68V18-A50 HydrophobicContact CG1-CB 3.62Å; P46-A50 WeakPolarHBondContact O-CB 3.37Å; P46-A50 PolarHBondContact O-N 3.11Å; I47-A50 PolarHBondContact O-N 3.07Å; S48-A50 VanDerWaalsContact C-N 3.29Å; S48-A50 PolarHBondContact O-N 3.35Å; A50-Y55 WeakPolarHBondContact CA-OH 3.49Å; A50-Y55 WeakPolarHBondContact O-CE2 3.41Å; A50-Y55 PolarHBondContact O-OH 3.03Å; A50-R61 WeakPolarHBondContact O-CG 3.32Å; A50-M64 HydrophobicContact CB-CG 4.19Å; A50-V65 HydrophobicContact CB-CG2 3.76Å; A50-L68 HydrophobicContact CB-CD1 3.78Å
51C90.4Very high87.7Confident0 Ų043 Ų430%023%0.231CC..Hα-helixtrans-83.8-35.7173.5-61.60000112.1I47 S48 A49 A85 H88 A89I47-C51 PolarHBondContact O-N 2.94Å; I47-C51 PolarHBondContact O-SG 2.99Å; I47-C51 VanDerWaalsContact O-SG 3.34Å; S48-C51 PolarHBondContact O-N 3.42Å; S48-C51 VanDerWaalsContact O-N 3.08Å; A49-C51 VanDerWaalsContact C-N 3.29Å; A49-C51 PolarHBondContact O-N 3.18Å; C51-A85 PolarHBondContact SG-O 3.3Å; C51-H88 HydrophobicContact CB-CB 3.89Å; C51-A89 HydrophobicContact CB-CB 4.26Å
52L87.1Confident87.9Confident33 Ų3336.4 Ų36.417%0.17320%0.2CC..Hα-helixtrans-74.6-20.7177-71.4166.6000114.1L7 F19 E44 S48 A49 S54 H88 E92L7-L52 HydrophobicContact CD1-CB 4.37Å; L7-L52 HydrophobicContact CD1-CD1 4.13Å; F19-L52 HydrophobicContact CE2-CB 4.35Å; E44-L52 HydrophobicContact CG-CD1 4.39Å; S48-L52 WeakPolarHBondContact O-CG 3.32Å; S48-L52 PolarHBondContact O-N 3.18Å; A49-L52 PolarHBondContact O-N 3.12Å; L52-S54 PolarHBondContact O-N 3.22Å; L52-H88 HydrophobicContact CD2-CB 4.31Å; L52-H88 HydrophobicContact CG-CB 4.25Å; L52-E92 HydrophobicContact CD2-CG 4.25Å
53G84Confident88.3Confident1 Ų138.1 Ų38.11%0.0121%0.206CC..  trans-61.6129.8-178.800000113.1A49 Y55 R61A49-G53 PolarHBondContact O-N 2.92Å; G53-Y55 WeakPolarHBondContact O-CD2 3.44Å; G53-Y55 WeakPolarHBondContact O-CE2 3.3Å; G53-R61 PolarHBondContact O-NE 3.43Å; G53-R61 PolarHBondContact O-NH2 2.93Å
54S80.6Confident88.5Confident106 Ų10637.2 Ų37.274%0.74120%0.196SC*.  trans-81.6117.8163.8-171.60000108.4L52L52-S54 PolarHBondContact O-N 3.22Å
55Y84.6Confident88.8Confident23 Ų2336.7 Ų36.79%0.0919%0.194CC..  trans-122.8136178.8-50.8-73.4000108.6V18 A50 G53 D57 T60 R61V18-Y55 WeakPolarHBondContact O-CE1 3.36Å; V18-Y55 PolarHBondContact O-OH 2.87Å; A50-Y55 WeakPolarHBondContact CA-OH 3.49Å; A50-Y55 WeakPolarHBondContact O-CE2 3.41Å; A50-Y55 PolarHBondContact O-OH 3.03Å; G53-Y55 WeakPolarHBondContact O-CD2 3.44Å; G53-Y55 WeakPolarHBondContact O-CE2 3.3Å; Y55-D57 PolarHBondContact O-N 2.7Å; Y55-T60 HydrophobicContact CD1-CG2 4.25Å; Y55-R61 HydrophobicContact CD2-CB 3.51Å; Y55-R61 HydrophobicContact CD2-CG 3.86Å; Y55-R61 HydrophobicContact CE2-CB 3.79Å; Y55-R61 HydrophobicContact CE2-CG 3.68Å; Y55-R61 HydrophobicContact CG-CB 4.42Å
56D81.9Confident88.9Confident177 Ų17741.4 Ų41.495%0.94721%0.212SC*.SBendtrans-64.6-27.9178.6-43.2-67000111.7
57D85.6Confident89Confident54 Ų5441.9 Ų41.929%0.28921%0.214SC..SBendtrans-113.8121.9176.3161.540.5000111.4Y55 Q59 T60Y55-D57 PolarHBondContact O-N 2.7Å; D57-Q59 VanDerWaalsContact C-N 3.27Å; D57-Q59 PolarHBondContact O-N 3.35Å; D57-Q59 VanDerWaalsContact OD1-CB 3.25Å; D57-Q59 WeakPolarHBondContact OD1-CB 3.33Å; D57-Q59 PolarHBondContact OD1-N 3.21Å; D57-T60 WeakPolarHBondContact O-CB 3.43Å; D57-T60 PolarHBondContact O-N 3.04Å; D57-T60 WeakPolarHBondContact OD2-CB 3.4Å; D57-T60 PolarHBondContact OD2-N 3.32Å; D57-T60 PolarHBondContact OD2-OG1 3.44Å
58P80.5Confident89Confident85 Ų8541.9 Ų41.955%0.55221%0.214SC*.Hα-helixtrans-65.8-26.1176.827.6-34.8000113.4T60 R61 Q62P58-T60 VanDerWaalsContact C-N 3.29Å; P58-T60 PolarHBondContact O-N 2.84Å; P58-R61 PolarHBondContact O-N 3.2Å; P58-Q62 PolarHBondContact O-N 3.25Å
59Q86.1Confident89.1Confident74 Ų7442.5 Ų42.535%0.34622%0.217SC..Hα-helixtrans-67.6-31.5175.7-63.4-71.9-54.100111.3D57 Q62 R63D57-Q59 VanDerWaalsContact C-N 3.27Å; D57-Q59 PolarHBondContact O-N 3.35Å; D57-Q59 VanDerWaalsContact OD1-CB 3.25Å; D57-Q59 WeakPolarHBondContact OD1-CB 3.33Å; D57-Q59 PolarHBondContact OD1-N 3.21Å; Q59-Q62 PolarHBondContact O-N 3.1Å; Q59-R63 WeakPolarHBondContact O-CB 3.37Å; Q59-R63 WeakPolarHBondContact O-CD 3.21Å; Q59-R63 WeakPolarHBondContact O-CG 3.46Å; Q59-R63 PolarHBondContact O-N 3.1Å
60T89.1Confident89.2Confident39 Ų3948.9 Ų48.924%0.23925%0.247CC..Hα-helixtrans-64.9-39.6175.6-69.50000111.6Y55 D57 P58 M64Y55-T60 HydrophobicContact CD1-CG2 4.25Å; D57-T60 WeakPolarHBondContact O-CB 3.43Å; D57-T60 PolarHBondContact O-N 3.04Å; D57-T60 WeakPolarHBondContact OD2-CB 3.4Å; D57-T60 PolarHBondContact OD2-N 3.32Å; D57-T60 PolarHBondContact OD2-OG1 3.44Å; P58-T60 VanDerWaalsContact C-N 3.29Å; P58-T60 PolarHBondContact O-N 2.84Å; T60-M64 WeakPolarHBondContact O-CB 3.38Å; T60-M64 PolarHBondContact O-N 2.87Å
61R90Very high89.3Confident30 Ų3053.7 Ų53.711%0.11327%0.268CS..Hα-helixtrans-57.4-51.8170.4-170.7175.6-67.4122.5-3.3111.1A50 G53 Y55 P58 R63 M64 V65 A94 V98A50-R61 WeakPolarHBondContact O-CG 3.32Å; G53-R61 PolarHBondContact O-NE 3.43Å; G53-R61 PolarHBondContact O-NH2 2.93Å; Y55-R61 HydrophobicContact CD2-CB 3.51Å; Y55-R61 HydrophobicContact CD2-CG 3.86Å; Y55-R61 HydrophobicContact CE2-CB 3.79Å; Y55-R61 HydrophobicContact CE2-CG 3.68Å; Y55-R61 HydrophobicContact CG-CB 4.42Å; P58-R61 PolarHBondContact O-N 3.2Å; R61-R63 PolarHBondContact O-N 3.33Å; R61-M64 PolarHBondContact O-N 3.3Å; R61-V65 WeakPolarHBondContact O-CG2 3.49Å; R61-V65 PolarHBondContact O-N 3.41Å; R61-A94 PolarHBondContact NH1-O 3.19Å; R61-V98 HydrophobicContact CG-CG2 4.18Å
62Q91.9Very high89.3Confident15 Ų1555.9 Ų55.97%0.0729%0.291CS..Hα-helixtrans-60.8-46.9-177.7-166.8-15358.400111.6P58 Q59 M64 V65 R66 E97 V98 L101P58-Q62 PolarHBondContact O-N 3.25Å; Q59-Q62 PolarHBondContact O-N 3.1Å; Q62-M64 VanDerWaalsContact C-N 3.31Å; Q62-M64 PolarHBondContact O-N 2.89Å; Q62-V65 PolarHBondContact O-N 3.14Å; Q62-R66 WeakPolarHBondContact O-CB 3.28Å; Q62-R66 WeakPolarHBondContact O-CG 3.37Å; Q62-R66 PolarHBondContact O-N 3.17Å; Q62-E97 PolarHBondContact NE2-OE2 3.18Å; Q62-V98 HydrophobicContact CB-CG2 4.34Å; Q62-L101 HydrophobicContact CG-CD1 3.56Å
63R93.5Very high89.6Confident132 Ų13254.5 Ų54.550%0.49828%0.284SS..Hα-helixtrans-62.7-35.4177.8-70.9165.4-178.1171.6-0112.7L23 Q59 R61 Y67L23-R63 HydrophobicContact CD2-CB 4.25Å; Q59-R63 WeakPolarHBondContact O-CB 3.37Å; Q59-R63 WeakPolarHBondContact O-CD 3.21Å; Q59-R63 WeakPolarHBondContact O-CG 3.46Å; Q59-R63 PolarHBondContact O-N 3.1Å; R61-R63 PolarHBondContact O-N 3.33Å; R63-Y67 WeakPolarHBondContact O-CB 3.25Å; R63-Y67 PolarHBondContact O-N 3.3Å; R63-Y67 VanDerWaalsContact O-N 3.1Å
64M93.1Very high90Very high0 Ų058.6 Ų58.60%031%0.305CS..Hα-helixtrans-67.2-47.9174.7-169.171.176.600111.4V18 L23 A26 A50 T60 R61 Q62 Y67 L68V18-M64 HydrophobicContact CB-SD 4.38Å; V18-M64 HydrophobicContact CG1-CG 3.87Å; V18-M64 HydrophobicContact CG1-SD 4.29Å; V18-M64 HydrophobicContact CG2-SD 3.97Å; L23-M64 HydrophobicContact CB-CE 4.12Å; L23-M64 HydrophobicContact CD1-CE 4.43Å; L23-M64 HydrophobicContact CD1-SD 3.85Å; A26-M64 HydrophobicContact CB-SD 4Å; A50-M64 HydrophobicContact CB-CG 4.19Å; T60-M64 WeakPolarHBondContact O-CB 3.38Å; T60-M64 PolarHBondContact O-N 2.87Å; R61-M64 PolarHBondContact O-N 3.3Å; Q62-M64 VanDerWaalsContact C-N 3.31Å; Q62-M64 PolarHBondContact O-N 2.89Å; M64-Y67 PolarHBondContact O-N 3.47Å; M64-L68 HydrophobicContact CG-CD1 4.3Å; M64-L68 WeakPolarHBondContact O-CG 3.3Å; M64-L68 PolarHBondContact O-N 2.91Å
65V93.9Very high90.6Very high0 Ų053.8 Ų53.80%027%0.272CS..Hα-helixtrans-65.2-43.8178.71740000111.5I47 A50 R61 Q62 Y67 L68 L69 V98 L102I47-V65 HydrophobicContact CD1-CG1 4.41Å; A50-V65 HydrophobicContact CB-CG2 3.76Å; R61-V65 WeakPolarHBondContact O-CG2 3.49Å; R61-V65 PolarHBondContact O-N 3.41Å; Q62-V65 PolarHBondContact O-N 3.14Å; V65-Y67 PolarHBondContact O-N 3.41Å; V65-L68 PolarHBondContact O-N 3.28Å; V65-L69 HydrophobicContact CG1-CD1 3.77Å; V65-L69 HydrophobicContact CG1-CG 4.4Å; V65-L69 VanDerWaalsContact O-CG 3.32Å; V65-L69 WeakPolarHBondContact O-CG 3.2Å; V65-L69 PolarHBondContact O-N 3.22Å; V65-V98 HydrophobicContact CB-CG1 4.41Å; V65-V98 HydrophobicContact CG1-CG1 4.27Å; V65-V98 HydrophobicContact CG2-CG1 4.03Å; V65-L102 HydrophobicContact CG1-CD2 4.09Å; V65-L102 HydrophobicContact CG1-CG 4.25Å
66R94.4Very high91Very high100 Ų10055.4 Ų55.438%0.37728%0.282SS..Hα-helixtrans-51.7-53.8171.3-73.3179.8-170.7-87.2-3.1110.9Q62 L68 L69 E70 L101Q62-R66 WeakPolarHBondContact O-CB 3.28Å; Q62-R66 WeakPolarHBondContact O-CG 3.37Å; Q62-R66 PolarHBondContact O-N 3.17Å; R66-L68 VanDerWaalsContact C-N 3.34Å; R66-L68 PolarHBondContact O-N 3.29Å; R66-L69 PolarHBondContact O-N 3.27Å; R66-E70 WeakPolarHBondContact O-CB 3.22Å; R66-E70 VanDerWaalsContact O-CG 3.24Å; R66-E70 WeakPolarHBondContact O-CG 3.47Å; R66-E70 PolarHBondContact O-N 3Å; R66-L101 HydrophobicContact CG-CD1 3.51Å; R66-L101 HydrophobicContact CG-CD2 3.94Å; R66-L101 HydrophobicContact CG-CG 4.38Å
67Y94.4Very high91.4Very high11 Ų1149.3 Ų49.34%0.04325%0.249CC..Hα-helixtrans-65.2-32.2-176.4-179.9-105.4000114L23 R27 L30 R63 M64 V65 K71L23-Y67 HydrophobicContact CD1-CD1 4.02Å; L23-Y67 HydrophobicContact CD1-CG 4.12Å; R27-Y67 WeakPolarHBondContact CA-OH 3.25Å; R27-Y67 HydrophobicContact CB-CE1 4.31Å; R27-Y67 HydrophobicContact CG-CD1 4.12Å; R27-Y67 HydrophobicContact CG-CD2 4.41Å; R27-Y67 HydrophobicContact CG-CE1 3.49Å; R27-Y67 VanDerWaalsContact CG-CE1 3.49Å; R27-Y67 HydrophobicContact CG-CE2 3.8Å; R27-Y67 WeakPolarHBondContact CG-OH 3.38Å; L30-Y67 HydrophobicContact CD1-CE1 3.83Å; R63-Y67 WeakPolarHBondContact O-CB 3.25Å; R63-Y67 PolarHBondContact O-N 3.3Å; R63-Y67 VanDerWaalsContact O-N 3.1Å; M64-Y67 PolarHBondContact O-N 3.47Å; V65-Y67 PolarHBondContact O-N 3.41Å; Y67-K71 HydrophobicContact CE1-CG 4.45Å; Y67-K71 HydrophobicContact CE2-CG 4.24Å; Y67-K71 VanDerWaalsContact O-CG 3.3Å; Y67-K71 WeakPolarHBondContact O-CG 3.47Å; Y67-K71 PolarHBondContact O-N 3.28Å; Y67-K71 VanDerWaalsContact OH-CE 3.29Å; Y67-K71 WeakPolarHBondContact OH-CE 3.29Å
68L93.9Very high91.7Very high0 Ų050 Ų500%026%0.256CS..Hα-helixtrans-70.1-43.2174-70.8170.4000111.5V18 L30 P46 I47 A50 M64 V65 R66 K71 G72 A73V18-L68 HydrophobicContact CG1-CD1 4.05Å; V18-L68 HydrophobicContact CG2-CD1 4.37Å; V18-L68 HydrophobicContact CG2-CD2 4.41Å; L30-L68 HydrophobicContact CD1-CD2 4.24Å; P46-L68 HydrophobicContact CB-CD1 4.28Å; P46-L68 HydrophobicContact CB-CD2 4.07Å; I47-L68 HydrophobicContact CB-CD1 4.38Å; A50-L68 HydrophobicContact CB-CD1 3.78Å; M64-L68 HydrophobicContact CG-CD1 4.3Å; M64-L68 WeakPolarHBondContact O-CG 3.3Å; M64-L68 PolarHBondContact O-N 2.91Å; V65-L68 PolarHBondContact O-N 3.28Å; R66-L68 VanDerWaalsContact C-N 3.34Å; R66-L68 PolarHBondContact O-N 3.29Å; L68-K71 PolarHBondContact O-N 3.3Å; L68-G72 PolarHBondContact O-N 3.4Å; L68-A73 HydrophobicContact CB-CB 3.94Å; L68-A73 WeakPolarHBondContact O-CB 3.45Å; L68-A73 PolarHBondContact O-N 2.63Å
69L94.1Very high92.2Very high13 Ų1346 Ų467%0.06823%0.23CC..Hα-helixtrans-64.8-43.3176-67.5168.8000111.8I47 V65 R66 K71 G72 P75 L101 L102 N105I47-L69 HydrophobicContact CD1-CD1 4.36Å; I47-L69 HydrophobicContact CD1-CD2 3.34Å; I47-L69 HydrophobicContact CD1-CG 3.67Å; V65-L69 HydrophobicContact CG1-CD1 3.77Å; V65-L69 HydrophobicContact CG1-CG 4.4Å; V65-L69 VanDerWaalsContact O-CG 3.32Å; V65-L69 WeakPolarHBondContact O-CG 3.2Å; V65-L69 PolarHBondContact O-N 3.22Å; R66-L69 PolarHBondContact O-N 3.27Å; L69-K71 PolarHBondContact O-N 3.3Å; L69-G72 PolarHBondContact O-N 2.81Å; L69-P75 HydrophobicContact CD2-CB 4.47Å; L69-P75 HydrophobicContact CD2-CG 4.43Å; L69-L101 HydrophobicContact CD1-CB 4.33Å; L69-L102 HydrophobicContact CD1-CD2 4.32Å; L69-N105 HydrophobicContact CB-CB 4.42Å; L69-N105 HydrophobicContact CD1-CB 4.03Å; L69-N105 HydrophobicContact CD2-CB 3.72Å; L69-N105 HydrophobicContact CG-CB 4.27Å
70E93.4Very high92.4Very high134 Ų13449.7 Ų49.763%0.62625%0.245SC*.THydrogen-bonded Turntrans-55-20.8172.1-75.9163.7-155.300113.8R66R66-E70 WeakPolarHBondContact O-CB 3.22Å; R66-E70 VanDerWaalsContact O-CG 3.24Å; R66-E70 WeakPolarHBondContact O-CG 3.47Å; R66-E70 PolarHBondContact O-N 3Å
71K92.9Very high92.3Very high100 Ų10049.8 Ų49.844%0.43525%0.248SC..THydrogen-bonded Turntrans-99.6-6.3177.6-67.6-65-174-178.70113.9L30 I36 Y67 L68 L69L30-K71 HydrophobicContact CD1-CB 4.12Å; L30-K71 HydrophobicContact CD1-CG 3.92Å; I36-K71 HydrophobicContact CD1-CB 3.77Å; I36-K71 WeakPolarHBondContact CD1-O 3.5Å; I36-K71 HydrophobicContact CG1-CB 4.47Å; Y67-K71 HydrophobicContact CE1-CG 4.45Å; Y67-K71 HydrophobicContact CE2-CG 4.24Å; Y67-K71 VanDerWaalsContact O-CG 3.3Å; Y67-K71 WeakPolarHBondContact O-CG 3.47Å; Y67-K71 PolarHBondContact O-N 3.28Å; Y67-K71 VanDerWaalsContact OH-CE 3.29Å; Y67-K71 WeakPolarHBondContact OH-CE 3.29Å; L68-K71 PolarHBondContact O-N 3.3Å; L69-K71 PolarHBondContact O-N 3.3Å
72G90.6Very high92.3Very high47 Ų4748.6 Ų48.649%0.48524%0.244SC..THydrogen-bonded Turntrans92.834.9-17800000114.3L68 L69L68-G72 PolarHBondContact O-N 3.4Å; L69-G72 PolarHBondContact O-N 2.81Å
73A93.4Very high92.2Very high4 Ų451.4 Ų51.43%0.03325%0.254CS..  trans-70.2128.2167.100000111I36 N37 I47 L68 P75I36-A73 HydrophobicContact CG2-CB 3.52Å; N37-A73 WeakPolarHBondContact OD1-CA 3.47Å; I47-A73 HydrophobicContact CB-CB 4.18Å; I47-A73 HydrophobicContact CD1-CB 4.11Å; I47-A73 HydrophobicContact CG2-CB 4.28Å; L68-A73 HydrophobicContact CB-CB 3.94Å; L68-A73 WeakPolarHBondContact O-CB 3.45Å; L68-A73 PolarHBondContact O-N 2.63Å; A73-P75 VanDerWaalsContact O-CD 3.28Å; A73-P75 WeakPolarHBondContact O-CD 3.37Å
74D92.9Very high92.2Very high86 Ų8645.3 Ų45.346%0.4623%0.231SC..  trans-83.7110.3-179.5-74.8-56.8000111.3N37 N76 I77N37-D74 PolarHBondContact ND2-OD2 2.83Å; N37-D74 PolarHBondContact OD1-N 3.39Å; D74-N76 PolarHBondContact O-N 2.93Å; D74-I77 HydrophobicContact CB-CD1 3.78Å; D74-I77 HydrophobicContact CB-CG1 3.83Å
75P92.8Very high92.2Very high6 Ų645.3 Ų45.34%0.03923%0.231CC..THydrogen-bonded Turntrans-73.3-10.5-176.332.1-37.4000113.7I47 L69 A73 L102 A107I47-P75 HydrophobicContact CD1-CB 4.37Å; L69-P75 HydrophobicContact CD2-CB 4.47Å; L69-P75 HydrophobicContact CD2-CG 4.43Å; A73-P75 VanDerWaalsContact O-CD 3.28Å; A73-P75 WeakPolarHBondContact O-CD 3.37Å; P75-L102 HydrophobicContact CB-CD2 3.77Å; P75-A107 HydrophobicContact CB-CB 3.98Å; P75-A107 HydrophobicContact CG-CB 3.97Å
76N91.9Very high92.1Very high56 Ų5645.4 Ų45.430%0.29923%0.232SC..THydrogen-bonded Turntrans-92.9-4.5-176-71.1-40.3000114.1D74 P78 G106 A107 D108 L111D74-N76 PolarHBondContact O-N 2.93Å; N76-P78 WeakPolarHBondContact O-CD 3.43Å; N76-G106 PolarHBondContact ND2-O 2.88Å; N76-A107 WeakPolarHBondContact OD1-CA 3.29Å; N76-D108 PolarHBondContact OD1-N 3.36Å; N76-L111 HydrophobicContact CB-CD1 4.36Å
77I91.1Very high92Very high50 Ų5040.7 Ų40.726%0.25621%0.214SC..  trans-65.3126.2174.6-63.5174.1000109.1N37 T45 D74N37-I77 HydrophobicContact CB-CD1 3.74Å; T45-I77 HydrophobicContact CG2-CB 3.88Å; T45-I77 HydrophobicContact CG2-CD1 4.04Å; T45-I77 HydrophobicContact CG2-CG2 3.58Å; D74-I77 HydrophobicContact CB-CD1 3.78Å; D74-I77 HydrophobicContact CB-CG1 3.83Å
78P91.4Very high91.8Very high67 Ų6740.2 Ų40.244%0.43521%0.212SC..BIsolated β-bridgetrans-91.4136.6175.734.4-31.1000111.7N76 R83 T84N76-P78 WeakPolarHBondContact O-CD 3.43Å; P78-R83 WeakPolarHBondContact CA-O 3.42Å; P78-T84 HydrophobicContact CB-CG2 4.24Å
79D90.8Very high91.7Very high3 Ų340.2 Ų40.22%0.01621%0.212CC..  trans-69.7176.7171.1-51.9-8.4000111.2E44 S48 S81 G82 R83 H88E44-D79 WeakPolarHBondContact CA-OD1 3.36Å; E44-D79 HydrophobicContact CG-CB 4.4Å; E44-D79 WeakPolarHBondContact CG-OD2 3.36Å; S48-D79 PolarHBondContact OG-OD1 2.86Å; D79-S81 PolarHBondContact O-N 3.32Å; D79-G82 PolarHBondContact O-N 3.07Å; D79-R83 PolarHBondContact N-O 3.28Å; D79-H88 IonicContact OD2-CD2 2.92Å; D79-H88 IonicContact OD2-CE1 2.63Å; D79-H88 PolarHBondContact OD2-CE1 3.47Å; D79-H88 IonicContact OD2-NE2 3.94Å; D79-H88 PolarHBondContact OD2-NE2 3.28Å
80K90.5Very high91.5Very high151 Ų15139.6 Ų39.666%0.65721%0.209SC*.THydrogen-bonded Turntrans-60.1-2175.8-74-173.8177.81750115.7E41 R42 Y114E41-K80 WeakPolarHBondContact O-CD 3.35Å; E41-K80 WeakPolarHBondContact O-CE 3.5Å; E41-K80 PolarHBondContact O-NZ 3Å; R42-K80 VanDerWaalsContact O-CB 3.22Å; R42-K80 WeakPolarHBondContact O-CB 3.48Å; R42-K80 WeakPolarHBondContact O-CG 3.33Å; R42-K80 PolarHBondContact O-N 3.29Å; K80-Y114 WeakPolarHBondContact O-CE2 3.38Å
81S87.8Confident91.3Very high41 Ų4134 Ų3429%0.28719%0.186SC..THydrogen-bonded Turntrans-103.71.617254.50000113.9D79 R83 Y114D79-S81 PolarHBondContact O-N 3.32Å; S81-R83 PolarHBondContact O-N 2.91Å; S81-R83 PolarHBondContact OG-NE 3.47Å; S81-Y114 VanDerWaalsContact C-CD2 3.42Å; S81-Y114 PolarHBondContact O-N 2.64Å; S81-Y114 VanDerWaalsContact O-N 3.15Å
82G89Confident91Very high4 Ų433.1 Ų33.14%0.04118%0.183CC..SBendtrans77.3-2.6-171.700000113.9D79D79-G82 PolarHBondContact O-N 3.07Å
83R90.9Very high90.7Very high75 Ų7538.3 Ų38.328%0.28319%0.188SC..  trans-78.3131.8178.9-68.2-176.3-681600.5110.9P78 D79 S81 M87 H88 D113P78-R83 WeakPolarHBondContact CA-O 3.42Å; D79-R83 PolarHBondContact N-O 3.28Å; S81-R83 PolarHBondContact O-N 2.91Å; S81-R83 PolarHBondContact OG-NE 3.47Å; R83-M87 HydrophobicContact CB-CB 4.32Å; R83-M87 HydrophobicContact CB-SD 4.31Å; R83-M87 HydrophobicContact CG-SD 4.27Å; R83-H88 PolarHBondContact NH1-CE1 3.39Å; R83-H88 PolarHBondContact NH1-ND1 3.46Å; R83-D113 HydrophobicContact CG-CB 3.7Å
84T93Very high90.2Very high3 Ų338.3 Ų38.32%0.01819%0.188CC..BIsolated β-bridgetrans-94.8167.9172.462.40000111.5P78 L86 M87 H88 L111P78-T84 HydrophobicContact CB-CG2 4.24Å; T84-L86 PolarHBondContact O-N 2.91Å; T84-M87 HydrophobicContact CG2-CE 4.4Å; T84-M87 WeakPolarHBondContact O-CB 3.48Å; T84-M87 PolarHBondContact O-N 3.19Å; T84-H88 PolarHBondContact O-CD2 3.43Å; T84-H88 PolarHBondContact O-N 3.01Å; T84-L111 HydrophobicContact CG2-CD1 3.73Å
85A92.5Very high89.8Confident0 Ų035.6 Ų35.60%018%0.181CC..Hα-helixtrans-52.4-41.4178.500000113I47 C51 M87 H88 A89 L102I47-A85 HydrophobicContact CB-CB 4.49Å; I47-A85 HydrophobicContact CG1-CB 4.11Å; I47-A85 HydrophobicContact CG2-CB 4.06Å; C51-A85 PolarHBondContact SG-O 3.3Å; A85-M87 VanDerWaalsContact C-N 3.34Å; A85-M87 PolarHBondContact O-N 3.03Å; A85-H88 PolarHBondContact O-N 3.35Å; A85-A89 PolarHBondContact O-N 3.02Å; A85-L102 HydrophobicContact CB-CD2 4.44Å
86L93Very high89.6Confident2 Ų241.2 Ų41.21%0.0120%0.201CC..Hα-helixtrans-67.7-29.2177.4179.2145.6000113T84 C90 V99 L102 L103 A107 P109 A119 L135T84-L86 PolarHBondContact O-N 2.91Å; L86-C90 PolarHBondContact O-N 2.92Å; L86-C90 PolarHBondContact O-SG 3.03Å; L86-V99 HydrophobicContact CD1-CG1 4.47Å; L86-L102 HydrophobicContact CB-CB 4.37Å; L86-L102 HydrophobicContact CB-CD1 4.12Å; L86-L102 HydrophobicContact CD1-CB 4.01Å; L86-L103 HydrophobicContact CD1-CD1 4.48Å; L86-L103 HydrophobicContact CD1-CD2 3.55Å; L86-L103 HydrophobicContact CD1-CG 3.63Å; L86-A107 HydrophobicContact CB-CB 4.13Å; L86-A107 HydrophobicContact CD1-CB 3.62Å; L86-A107 HydrophobicContact CG-CB 4.46Å; L86-P109 HydrophobicContact CD2-CB 4.49Å; L86-A119 HydrophobicContact CD2-CB 3.21Å; L86-A119 HydrophobicContact CG-CB 4.48Å; L86-L135 HydrophobicContact CD1-CD2 4.47Å; L86-L135 HydrophobicContact CD2-CD2 4.06Å
87M92Very high89.6Confident2 Ų241.5 Ų41.51%0.0120%0.2CC..Hα-helixtrans-69.2-41.2171.3-62.3-174.5-158.900112.1R83 T84 A85 A89 C90 A91 L111 D113 A119R83-M87 HydrophobicContact CB-CB 4.32Å; R83-M87 HydrophobicContact CB-SD 4.31Å; R83-M87 HydrophobicContact CG-SD 4.27Å; T84-M87 HydrophobicContact CG2-CE 4.4Å; T84-M87 WeakPolarHBondContact O-CB 3.48Å; T84-M87 PolarHBondContact O-N 3.19Å; A85-M87 VanDerWaalsContact C-N 3.34Å; A85-M87 PolarHBondContact O-N 3.03Å; M87-A89 VanDerWaalsContact C-N 3.35Å; M87-C90 PolarHBondContact O-N 2.69Å; M87-A91 WeakPolarHBondContact O-CB 3.35Å; M87-A91 PolarHBondContact O-N 3Å; M87-L111 VanDerWaalsContact CE-C 3.41Å; M87-L111 HydrophobicContact CE-CB 3.77Å; M87-L111 WeakPolarHBondContact CE-O 3.45Å; M87-D113 HydrophobicContact SD-CB 4.01Å; M87-A119 HydrophobicContact CG-CB 3.95Å
88H90.5Very high89.7Confident0 Ų039.2 Ų39.20%019%0.189CC..Hα-helixtrans-66.2-37.5175.5-63.8-72.6000112.2C51 L52 D79 R83 T84 A85 C90 A91 E92C51-H88 HydrophobicContact CB-CB 3.89Å; L52-H88 HydrophobicContact CD2-CB 4.31Å; L52-H88 HydrophobicContact CG-CB 4.25Å; D79-H88 IonicContact OD2-CD2 2.92Å; D79-H88 IonicContact OD2-CE1 2.63Å; D79-H88 PolarHBondContact OD2-CE1 3.47Å; D79-H88 IonicContact OD2-NE2 3.94Å; D79-H88 PolarHBondContact OD2-NE2 3.28Å; R83-H88 PolarHBondContact NH1-CE1 3.39Å; R83-H88 PolarHBondContact NH1-ND1 3.46Å; T84-H88 PolarHBondContact O-CD2 3.43Å; T84-H88 PolarHBondContact O-N 3.01Å; A85-H88 PolarHBondContact O-N 3.35Å; H88-C90 PolarHBondContact O-N 2.76Å; H88-A91 PolarHBondContact O-N 2.85Å; H88-A91 VanDerWaalsContact O-N 3.17Å; H88-E92 PolarHBondContact O-N 3.34Å
89A90.4Very high89.8Confident0 Ų036 Ų360%017%0.168CC..Hα-helixtrans-58-36.8174.100000112.3C51 A85 M87 A94 V98 V99 L102C51-A89 HydrophobicContact CB-CB 4.26Å; A85-A89 PolarHBondContact O-N 3.02Å; M87-A89 VanDerWaalsContact C-N 3.35Å; A89-A94 HydrophobicContact CB-CB 3.89Å; A89-A94 VanDerWaalsContact O-CB 3.28Å; A89-A94 WeakPolarHBondContact O-CB 3.36Å; A89-A94 PolarHBondContact O-N 2.9Å; A89-V98 HydrophobicContact CB-CG1 4.38Å; A89-V99 HydrophobicContact CB-CG2 4.1Å; A89-L102 HydrophobicContact CB-CD1 3.85Å
90C90.5Very high89.9Confident0 Ų037 Ų370%018%0.177CC..Hα-helixtrans-76.1-41.3173.4-59.40000112.8L86 M87 H88 A119 H122 A123 L135L86-C90 PolarHBondContact O-N 2.92Å; L86-C90 PolarHBondContact O-SG 3.03Å; M87-C90 PolarHBondContact O-N 2.69Å; H88-C90 PolarHBondContact O-N 2.76Å; C90-A119 WeakPolarHBondContact CB-O 3.26Å; C90-H122 HydrophobicContact CB-CB 4.12Å; C90-A123 HydrophobicContact CB-CB 4.12Å; C90-L135 VanDerWaalsContact SG-CD1 3.59Å
91A88.6Confident90Very high17 Ų1730.3 Ų30.314%0.1415%0.148CC..Hα-helixtrans-63.8-43.9-179.500000112M87 H88 H122 R126M87-A91 WeakPolarHBondContact O-CB 3.35Å; M87-A91 PolarHBondContact O-N 3Å; H88-A91 PolarHBondContact O-N 2.85Å; H88-A91 VanDerWaalsContact O-N 3.17Å; A91-H122 HydrophobicContact CB-CB 4.46Å; A91-R126 WeakPolarHBondContact O-CD 3.4Å; A91-R126 PolarHBondContact O-NH1 3.04Å
92E87.9Confident90.3Very high81 Ų8128.4 Ų28.438%0.37914%0.135SC..THydrogen-bonded Turntrans-96.616.5-176.4-62.1-51.4156.800115.5L52 H88 A94 R126L52-E92 HydrophobicContact CD2-CG 4.25Å; H88-E92 PolarHBondContact O-N 3.34Å; E92-A94 VanDerWaalsContact C-N 3.26Å; E92-A94 PolarHBondContact O-N 3.15Å; E92-R126 IonicContact OE2-CZ 3.26Å; E92-R126 IonicContact OE2-NH1 3.26Å; E92-R126 PolarHBondContact OE2-NH1 3.32Å
93R84.4Confident90.4Very high156 Ų15629.3 Ų29.359%0.58914%0.139SC*.THydrogen-bonded Turntrans54.244.8177.3-170.4171.6-145.7-130.1-7.2111.4G95 R126 D128R93-G95 PolarHBondContact O-N 2.89Å; R93-R126 HydrophobicContact CB-CG 4.31Å; R93-D128 VanDerWaalsContact CG-OD2 3.25Å; R93-D128 WeakPolarHBondContact CG-OD2 3.17Å; R93-D128 IonicContact CZ-OD1 3.97Å; R93-D128 VanDerWaalsContact CZ-OD1 3.26Å; R93-D128 IonicContact NE-OD1 3.71Å; R93-D128 PolarHBondContact NE-OD1 3.28Å; R93-D128 IonicContact NE-OD2 3.4Å; R93-D128 PolarHBondContact NE-OD2 2.95Å; R93-D128 IonicContact NH2-OD1 2.94Å; R93-D128 PolarHBondContact NH2-OD1 3.44Å
94A82.3Confident90.4Very high4 Ų432.4 Ų32.43%0.03316%0.156CC..  trans-60.7-24.4-172.900000113.7R61 A89 E92 V98R61-A94 PolarHBondContact NH1-O 3.19Å; A89-A94 HydrophobicContact CB-CB 3.89Å; A89-A94 VanDerWaalsContact O-CB 3.28Å; A89-A94 WeakPolarHBondContact O-CB 3.36Å; A89-A94 PolarHBondContact O-N 2.9Å; E92-A94 VanDerWaalsContact C-N 3.26Å; E92-A94 PolarHBondContact O-N 3.15Å; A94-V98 HydrophobicContact CB-CB 4.1Å; A94-V98 HydrophobicContact CB-CG1 4.06Å; A94-V98 HydrophobicContact CB-CG2 4.39Å; A94-V98 WeakPolarHBondContact O-CG2 3.44Å
95G83.8Confident90.4Very high29 Ų2936 Ų3630%0.29918%0.175SC..  trans116.6145.1177.800000112.1R93 E97 V98 V99R93-G95 PolarHBondContact O-N 2.89Å; G95-E97 PolarHBondContact O-N 2.85Å; G95-E97 VanDerWaalsContact O-N 3.07Å; G95-V98 PolarHBondContact O-N 3.01Å; G95-V99 PolarHBondContact O-N 3.37Å
96R90.4Very high90.1Very high125 Ų12537.8 Ų37.847%0.47219%0.194SC..Hα-helixtrans-51.3-35.3-179.374.7-170.3-168.4-56.5-21.9113V99 A100 D130 T131R96-V99 PolarHBondContact O-N 3.34Å; R96-A100 WeakPolarHBondContact O-CB 3.31Å; R96-A100 PolarHBondContact O-N 3.29Å; R96-D130 HydrophobicContact CB-CB 4.09Å; R96-T131 HydrophobicContact CB-CG2 4.4Å
97E91.3Very high90.1Very high61 Ų6137.7 Ų37.729%0.28519%0.193SC..Hα-helixtrans-72.8-31.6-177.9-56.9169.9-152.400112.7Q62 G95 L101Q62-E97 PolarHBondContact NE2-OE2 3.18Å; G95-E97 PolarHBondContact O-N 2.85Å; G95-E97 VanDerWaalsContact O-N 3.07Å; E97-L101 WeakPolarHBondContact O-CD1 3.42Å; E97-L101 VanDerWaalsContact O-CG 3.24Å; E97-L101 WeakPolarHBondContact O-CG 3.18Å; E97-L101 PolarHBondContact O-N 2.91Å
98V92.5Very high89.8Confident3 Ų340.3 Ų40.32%0.01821%0.208CC..Hα-helixtrans-71.8-39.8174.1179.20000110.2R61 Q62 V65 A89 A94 G95 L101 L102R61-V98 HydrophobicContact CG-CG2 4.18Å; Q62-V98 HydrophobicContact CB-CG2 4.34Å; V65-V98 HydrophobicContact CB-CG1 4.41Å; V65-V98 HydrophobicContact CG1-CG1 4.27Å; V65-V98 HydrophobicContact CG2-CG1 4.03Å; A89-V98 HydrophobicContact CB-CG1 4.38Å; A94-V98 HydrophobicContact CB-CB 4.1Å; A94-V98 HydrophobicContact CB-CG1 4.06Å; A94-V98 HydrophobicContact CB-CG2 4.39Å; A94-V98 WeakPolarHBondContact O-CG2 3.44Å; G95-V98 PolarHBondContact O-N 3.01Å; V98-L101 PolarHBondContact O-N 3.44Å; V98-L102 HydrophobicContact CG1-CD1 4.17Å; V98-L102 WeakPolarHBondContact O-CG 3.4Å; V98-L102 PolarHBondContact O-N 3.25Å; V98-L102 VanDerWaalsContact O-N 3.16Å
99V93.3Very high89.6Confident0 Ų040.4 Ų40.40%021%0.208CC..Hα-helixtrans-65.9-42.8176.7178.70000111.1L86 A89 G95 R96 L102 L103 T131 V134 L135L86-V99 HydrophobicContact CD1-CG1 4.47Å; A89-V99 HydrophobicContact CB-CG2 4.1Å; G95-V99 PolarHBondContact O-N 3.37Å; R96-V99 PolarHBondContact O-N 3.34Å; V99-L102 PolarHBondContact O-N 3.19Å; V99-L103 HydrophobicContact CG1-CD1 3.9Å; V99-L103 WeakPolarHBondContact O-CD1 3.36Å; V99-L103 VanDerWaalsContact O-CG 3.3Å; V99-L103 WeakPolarHBondContact O-CG 3.32Å; V99-L103 PolarHBondContact O-N 2.76Å; V99-L103 VanDerWaalsContact O-N 3.09Å; V99-T131 HydrophobicContact CG2-CG2 4.15Å; V99-V134 HydrophobicContact CG1-CG1 4.45Å; V99-L135 HydrophobicContact CG1-CD2 3.77Å; V99-L135 HydrophobicContact CG1-CG 3.91Å
100A92.7Very high89.2Confident24 Ų2442.4 Ų42.420%0.19822%0.222CC..Hα-helixtrans-57.2-51.1174.300000112R96 L102 L103 E104 V134R96-A100 WeakPolarHBondContact O-CB 3.31Å; R96-A100 PolarHBondContact O-N 3.29Å; A100-L102 VanDerWaalsContact C-N 3.31Å; A100-L102 PolarHBondContact O-N 3.17Å; A100-L103 WeakPolarHBondContact O-CB 3.15Å; A100-L103 PolarHBondContact O-N 3.4Å; A100-E104 WeakPolarHBondContact O-CG 3.33Å; A100-E104 PolarHBondContact O-N 2.96Å; A100-V134 HydrophobicContact CB-CG1 4.32Å
101L93.7Very high89Confident10 Ų1045.4 Ų45.45%0.05224%0.238CC..Hα-helixtrans-57.7-40.4178.7-74.1164.8000113.6Q62 R66 L69 E97 V98 N105Q62-L101 HydrophobicContact CG-CD1 3.56Å; R66-L101 HydrophobicContact CG-CD1 3.51Å; R66-L101 HydrophobicContact CG-CD2 3.94Å; R66-L101 HydrophobicContact CG-CG 4.38Å; L69-L101 HydrophobicContact CD1-CB 4.33Å; E97-L101 WeakPolarHBondContact O-CD1 3.42Å; E97-L101 VanDerWaalsContact O-CG 3.24Å; E97-L101 WeakPolarHBondContact O-CG 3.18Å; E97-L101 PolarHBondContact O-N 2.91Å; V98-L101 PolarHBondContact O-N 3.44Å; L101-N105 WeakPolarHBondContact O-CB 3.46Å; L101-N105 PolarHBondContact O-N 3.44Å; L101-N105 VanDerWaalsContact O-N 3.1Å; L101-N105 PolarHBondContact O-ND2 2.99Å
102L93.3Very high89Confident0 Ų050.2 Ų50.20%025%0.252CS..Hα-helixtrans-65.2-42.1176.4-70.5165.3000111I47 V65 L69 P75 A85 L86 A89 V98 V99 A100 N105 G106 A107I47-L102 HydrophobicContact CD1-CD2 3.65Å; I47-L102 HydrophobicContact CG1-CD2 4.07Å; V65-L102 HydrophobicContact CG1-CD2 4.09Å; V65-L102 HydrophobicContact CG1-CG 4.25Å; L69-L102 HydrophobicContact CD1-CD2 4.32Å; P75-L102 HydrophobicContact CB-CD2 3.77Å; A85-L102 HydrophobicContact CB-CD2 4.44Å; L86-L102 HydrophobicContact CB-CB 4.37Å; L86-L102 HydrophobicContact CB-CD1 4.12Å; L86-L102 HydrophobicContact CD1-CB 4.01Å; A89-L102 HydrophobicContact CB-CD1 3.85Å; V98-L102 HydrophobicContact CG1-CD1 4.17Å; V98-L102 WeakPolarHBondContact O-CG 3.4Å; V98-L102 PolarHBondContact O-N 3.25Å; V98-L102 VanDerWaalsContact O-N 3.16Å; V99-L102 PolarHBondContact O-N 3.19Å; A100-L102 VanDerWaalsContact C-N 3.31Å; A100-L102 PolarHBondContact O-N 3.17Å; L102-N105 CarbonylContact O-C 3.55Å; L102-N105 PolarHBondContact O-N 3Å; L102-G106 PolarHBondContact O-N 3.48Å; L102-A107 HydrophobicContact CB-CB 4.06Å; L102-A107 WeakPolarHBondContact O-CB 3.33Å; L102-A107 PolarHBondContact O-N 3.17Å
103L92.1Very high89Confident24 Ų2447 Ų4713%0.12624%0.238CC..Hα-helixtrans-67.2-41.9177.7-68.6163.1000112.5L86 V99 A100 N105 G106 P109 V134 L135 A138L86-L103 HydrophobicContact CD1-CD1 4.48Å; L86-L103 HydrophobicContact CD1-CD2 3.55Å; L86-L103 HydrophobicContact CD1-CG 3.63Å; V99-L103 HydrophobicContact CG1-CD1 3.9Å; V99-L103 WeakPolarHBondContact O-CD1 3.36Å; V99-L103 VanDerWaalsContact O-CG 3.3Å; V99-L103 WeakPolarHBondContact O-CG 3.32Å; V99-L103 PolarHBondContact O-N 2.76Å; V99-L103 VanDerWaalsContact O-N 3.09Å; A100-L103 WeakPolarHBondContact O-CB 3.15Å; A100-L103 PolarHBondContact O-N 3.4Å; L103-N105 VanDerWaalsContact C-N 3.25Å; L103-N105 PolarHBondContact O-N 3.26Å; L103-G106 PolarHBondContact O-N 3.08Å; L103-G106 VanDerWaalsContact O-N 3.09Å; L103-P109 HydrophobicContact CD2-CB 4.23Å; L103-P109 HydrophobicContact CD2-CG 3.98Å; L103-V134 HydrophobicContact CD1-CG1 3.83Å; L103-L135 HydrophobicContact CD1-CD2 4.35Å; L103-A138 HydrophobicContact CD1-CB 3.76Å; L103-A138 HydrophobicContact CD2-CB 3.94Å; L103-A138 HydrophobicContact CG-CB 4.34Å
104E91.4Very high89.2Confident140 Ų14048.1 Ų48.165%0.65424%0.243SC*.Hα-helixtrans-57.4-39.1173.3-73.1162.4-161.100111.4A100 G106A100-E104 WeakPolarHBondContact O-CG 3.33Å; A100-E104 PolarHBondContact O-N 2.96Å; E104-G106 PolarHBondContact O-N 3.42Å
105N91.7Very high89.3Confident77 Ų7752.3 Ų52.341%0.41228%0.278SS..THydrogen-bonded Turntrans-90.430.1176.8-68.2-96.9000112.8L69 L101 L102 L103 A107L69-N105 HydrophobicContact CB-CB 4.42Å; L69-N105 HydrophobicContact CD1-CB 4.03Å; L69-N105 HydrophobicContact CD2-CB 3.72Å; L69-N105 HydrophobicContact CG-CB 4.27Å; L101-N105 WeakPolarHBondContact O-CB 3.46Å; L101-N105 PolarHBondContact O-N 3.44Å; L101-N105 VanDerWaalsContact O-N 3.1Å; L101-N105 PolarHBondContact O-ND2 2.99Å; L102-N105 CarbonylContact O-C 3.55Å; L102-N105 PolarHBondContact O-N 3Å; L103-N105 VanDerWaalsContact C-N 3.25Å; L103-N105 PolarHBondContact O-N 3.26Å; N105-A107 PolarHBondContact O-N 2.88Å
106G87.6Confident89.3Confident38 Ų3852.9 Ų52.939%0.39228%0.284SS..THydrogen-bonded Turntrans82.710.916600000116.6N76 L102 L103 E104N76-G106 PolarHBondContact ND2-O 2.88Å; L102-G106 PolarHBondContact O-N 3.48Å; L103-G106 PolarHBondContact O-N 3.08Å; L103-G106 VanDerWaalsContact O-N 3.09Å; E104-G106 PolarHBondContact O-N 3.42Å
107A91.2Very high89Confident0 Ų047.7 Ų47.70%027%0.268CS..  trans-59.8140.6175.300000112.2P75 N76 L86 L102 N105 P109 K142P75-A107 HydrophobicContact CB-CB 3.98Å; P75-A107 HydrophobicContact CG-CB 3.97Å; N76-A107 WeakPolarHBondContact OD1-CA 3.29Å; L86-A107 HydrophobicContact CB-CB 4.13Å; L86-A107 HydrophobicContact CD1-CB 3.62Å; L86-A107 HydrophobicContact CG-CB 4.46Å; L102-A107 HydrophobicContact CB-CB 4.06Å; L102-A107 WeakPolarHBondContact O-CB 3.33Å; L102-A107 PolarHBondContact O-N 3.17Å; N105-A107 PolarHBondContact O-N 2.88Å; A107-P109 VanDerWaalsContact O-CD 3.27Å; A107-P109 WeakPolarHBondContact O-CD 3.3Å; A107-K142 PolarHBondContact O-NZ 3.01Å
108D87.6Confident88.8Confident58 Ų5844.9 Ų44.931%0.3126%0.255SS..  trans-99.3104.5-178.3-93.4-35000113.2N76 S110 L111 K142N76-D108 PolarHBondContact OD1-N 3.36Å; D108-S110 PolarHBondContact O-N 3.47Å; D108-S110 VanDerWaalsContact O-N 3.1Å; D108-L111 HydrophobicContact CB-CD1 3.96Å; D108-L111 HydrophobicContact CB-CG 3.85Å; D108-L111 PolarHBondContact O-N 2.69Å; D108-K142 IonicContact OD1-NZ 2.71Å; D108-K142 PolarHBondContact OD1-NZ 3.07Å
109P85.5Confident88.6Confident2 Ų244.8 Ų44.81%0.01325%0.254CS..THydrogen-bonded Turntrans-72.90.9178.233.2-37.4000113.3L86 L103 A107 S118 L135 K142L86-P109 HydrophobicContact CD2-CB 4.49Å; L103-P109 HydrophobicContact CD2-CB 4.23Å; L103-P109 HydrophobicContact CD2-CG 3.98Å; A107-P109 VanDerWaalsContact O-CD 3.27Å; A107-P109 WeakPolarHBondContact O-CD 3.3Å; P109-S118 PolarHBondContact O-OG 2.8Å; P109-L135 HydrophobicContact CB-CD2 4.21Å; P109-K142 HydrophobicContact CG-CD 4.38Å
110S82.8Confident88.3Confident42 Ų4244.8 Ų44.829%0.29425%0.254SS..THydrogen-bonded Turntrans-96.4-417359.50000114.4D108 K144D108-S110 PolarHBondContact O-N 3.47Å; D108-S110 VanDerWaalsContact O-N 3.1Å; S110-K144 PolarHBondContact OG-NZ 2.84Å
111L85.6Confident88Confident63 Ų6343.9 Ų43.933%0.3325%0.246SC..  trans-64.4155.6171.3-66.9173.2000110.4N76 T84 M87 D108 S118N76-L111 HydrophobicContact CB-CD1 4.36Å; T84-L111 HydrophobicContact CG2-CD1 3.73Å; M87-L111 VanDerWaalsContact CE-C 3.41Å; M87-L111 HydrophobicContact CE-CB 3.77Å; M87-L111 WeakPolarHBondContact CE-O 3.45Å; D108-L111 HydrophobicContact CB-CD1 3.96Å; D108-L111 HydrophobicContact CB-CG 3.85Å; D108-L111 PolarHBondContact O-N 2.69Å; L111-S118 WeakPolarHBondContact O-CB 3.37Å; L111-S118 PolarHBondContact O-OG 2.94Å
112R87.8Confident87.6Confident118 Ų11845.1 Ų45.145%0.44525%0.252SS..  trans-134141.2-179.6-69.2179.3173.3-166.7-10.1110.3A117 Q163R112-A117 CarbonylContact C-O 3.47Å; R112-A117 VanDerWaalsContact CA-O 3.27Å; R112-A117 WeakPolarHBondContact CA-O 3.3Å; R112-Q163 PolarHBondContact NH2-O 3.2Å
113D88.7Confident87.4Confident14 Ų1445.1 Ų45.18%0.07525%0.252CS..  trans-76.2176.5172.46532.4000112.1R83 M87 A115 G116 A117 H122R83-D113 HydrophobicContact CG-CB 3.7Å; M87-D113 HydrophobicContact SD-CB 4.01Å; D113-A115 PolarHBondContact O-N 3.03Å; D113-A115 WeakPolarHBondContact OD1-CA 3.47Å; D113-A115 WeakPolarHBondContact OD1-CB 3.24Å; D113-A115 PolarHBondContact OD1-N 2.83Å; D113-G116 WeakPolarHBondContact O-CA 3.37Å; D113-G116 PolarHBondContact O-N 2.89Å; D113-G116 PolarHBondContact OD1-N 3.19Å; D113-A117 VanDerWaalsContact CG-O 3.31Å; D113-A117 PolarHBondContact N-O 2.94Å; D113-A117 PolarHBondContact OD1-N 3.32Å; D113-H122 IonicContact OD2-CD2 3.41Å; D113-H122 IonicContact OD2-CE1 2.66Å; D113-H122 PolarHBondContact OD2-CE1 3.07Å; D113-H122 IonicContact OD2-NE2 3.39Å; D113-H122 PolarHBondContact OD2-NE2 3.38Å
114Y89.1Confident87.1Confident178 Ų17845.2 Ų45.270%0.69825%0.252SS*.THydrogen-bonded Turntrans-70.9-7-178.7-57.8-24.1000114K80 S81 G116K80-Y114 WeakPolarHBondContact O-CE2 3.38Å; S81-Y114 VanDerWaalsContact C-CD2 3.42Å; S81-Y114 PolarHBondContact O-N 2.64Å; S81-Y114 VanDerWaalsContact O-N 3.15Å; Y114-G116 VanDerWaalsContact C-N 3.34Å
115A83.8Confident86.8Confident93 Ų9342 Ų4277%0.76924%0.239SC*.THydrogen-bonded Turntrans-90.6-0.2167.300000112.4D113 A117D113-A115 PolarHBondContact O-N 3.03Å; D113-A115 WeakPolarHBondContact OD1-CA 3.47Å; D113-A115 WeakPolarHBondContact OD1-CB 3.24Å; D113-A115 PolarHBondContact OD1-N 2.83Å; A115-A117 PolarHBondContact O-N 3.31Å
116G82.8Confident86.5Confident41 Ų4144.1 Ų44.142%0.42324%0.242SC..SBendtrans77.45.2-17600000114D113 Y114D113-G116 WeakPolarHBondContact O-CA 3.37Å; D113-G116 PolarHBondContact O-N 2.89Å; D113-G116 PolarHBondContact OD1-N 3.19Å; Y114-G116 VanDerWaalsContact C-N 3.34Å
117A84.2Confident86.3Confident16 Ų1644.7 Ų44.713%0.13225%0.247CC..  trans-80.7146.517600000110.3R112 D113 A115 V121R112-A117 CarbonylContact C-O 3.47Å; R112-A117 VanDerWaalsContact CA-O 3.27Å; R112-A117 WeakPolarHBondContact CA-O 3.3Å; D113-A117 VanDerWaalsContact CG-O 3.31Å; D113-A117 PolarHBondContact N-O 2.94Å; D113-A117 PolarHBondContact OD1-N 3.32Å; A115-A117 PolarHBondContact O-N 3.31Å; A117-V121 HydrophobicContact CB-CB 4.11Å; A117-V121 HydrophobicContact CB-CG1 3.63Å
118S87.9Confident85.9Confident1 Ų145.3 Ų45.31%0.00725%0.251CS..  trans-110.8169.9173.6-168.50000110.3P109 L111 L120 V121 H122P109-S118 PolarHBondContact O-OG 2.8Å; L111-S118 WeakPolarHBondContact O-CB 3.37Å; L111-S118 PolarHBondContact O-OG 2.94Å; S118-L120 PolarHBondContact O-N 3.04Å; S118-L120 VanDerWaalsContact O-N 3.14Å; S118-V121 WeakPolarHBondContact O-CA 3.36Å; S118-V121 VanDerWaalsContact O-CB 3.3Å; S118-V121 WeakPolarHBondContact O-CB 3.42Å; S118-V121 PolarHBondContact O-N 3.38Å; S118-H122 PolarHBondContact O-CD2 2.95Å; S118-H122 VanDerWaalsContact O-CD2 3.25Å; S118-H122 PolarHBondContact O-N 2.82Å; S118-H122 VanDerWaalsContact O-N 3.1Å
119A87.9Confident85.9Confident1 Ų152.3 Ų52.31%0.00827%0.273CS..Hα-helixtrans-53.4-37.817900000113.2L86 M87 C90 H122 A123L86-A119 HydrophobicContact CD2-CB 3.21Å; L86-A119 HydrophobicContact CG-CB 4.48Å; M87-A119 HydrophobicContact CG-CB 3.95Å; C90-A119 WeakPolarHBondContact CB-O 3.26Å; A119-H122 PolarHBondContact O-N 3.45Å; A119-A123 PolarHBondContact O-N 3.15Å
120L87.4Confident86.1Confident0 Ų057.2 Ų57.20%030%0.299CS..Hα-helixtrans-69.6-28.2176.8176.4148.7000112.9S118 I124 L132 L135 L136 V146 I148 Q163S118-L120 PolarHBondContact O-N 3.04Å; S118-L120 VanDerWaalsContact O-N 3.14Å; L120-I124 HydrophobicContact CD2-CD1 4.02Å; L120-I124 HydrophobicContact CG-CD1 4.43Å; L120-I124 WeakPolarHBondContact O-CD1 3.4Å; L120-I124 WeakPolarHBondContact O-CG1 3.42Å; L120-I124 PolarHBondContact O-N 3.11Å; L120-L132 HydrophobicContact CD1-CD1 4.18Å; L120-L132 HydrophobicContact CG-CD1 3.87Å; L120-L135 HydrophobicContact CD1-CB 4.47Å; L120-L136 HydrophobicContact CD1-CD2 3.83Å; L120-L136 HydrophobicContact CD1-CG 4.14Å; L120-V146 HydrophobicContact CD1-CG1 4.25Å; L120-V146 HydrophobicContact CD2-CG1 3.75Å; L120-I148 HydrophobicContact CD2-CD1 3.92Å; L120-I148 HydrophobicContact CD2-CG1 3.57Å; L120-Q163 HydrophobicContact CD2-CG 4.45Å
121V85.6Confident86.4Confident6 Ų655.4 Ų55.44%0.03629%0.286CS..Hα-helixtrans-67.7-46167.9163.70000110.1A117 S118 A123 I124 N125 T161 Q163A117-V121 HydrophobicContact CB-CB 4.11Å; A117-V121 HydrophobicContact CB-CG1 3.63Å; S118-V121 WeakPolarHBondContact O-CA 3.36Å; S118-V121 VanDerWaalsContact O-CB 3.3Å; S118-V121 WeakPolarHBondContact O-CB 3.42Å; S118-V121 PolarHBondContact O-N 3.38Å; V121-A123 PolarHBondContact O-N 3.15Å; V121-I124 PolarHBondContact O-N 3.47Å; V121-N125 PolarHBondContact O-N 2.87Å; V121-N125 PolarHBondContact O-ND2 3.04Å; V121-N125 PolarHBondContact O-OD1 3.43Å; V121-T161 WeakPolarHBondContact CG1-OG1 3.31Å; V121-T161 PolarHBondContact O-OG1 3.48Å; V121-Q163 HydrophobicContact CG2-CB 3.76Å
122H87.1Confident86.5Confident35 Ų3554.1 Ų54.116%0.16228%0.279CS..Hα-helixtrans-61.5-43.4178.7-67.7-59.2000112.6C90 A91 D113 S118 A119 I124 N125 R126C90-H122 HydrophobicContact CB-CB 4.12Å; A91-H122 HydrophobicContact CB-CB 4.46Å; D113-H122 IonicContact OD2-CD2 3.41Å; D113-H122 IonicContact OD2-CE1 2.66Å; D113-H122 PolarHBondContact OD2-CE1 3.07Å; D113-H122 IonicContact OD2-NE2 3.39Å; D113-H122 PolarHBondContact OD2-NE2 3.38Å; S118-H122 PolarHBondContact O-CD2 2.95Å; S118-H122 VanDerWaalsContact O-CD2 3.25Å; S118-H122 PolarHBondContact O-N 2.82Å; S118-H122 VanDerWaalsContact O-N 3.1Å; A119-H122 PolarHBondContact O-N 3.45Å; H122-I124 VanDerWaalsContact C-N 3.32Å; H122-I124 PolarHBondContact O-N 2.77Å; H122-N125 PolarHBondContact O-N 2.86Å; H122-R126 PolarHBondContact O-N 2.83Å
123A87.3Confident86.6Confident0 Ų054.6 Ų54.60%029%0.287CS..Hα-helixtrans-58.8-39.2176.600000113.1C90 A119 V121 R126 G127 D128 L135C90-A123 HydrophobicContact CB-CB 4.12Å; A119-A123 PolarHBondContact O-N 3.15Å; V121-A123 PolarHBondContact O-N 3.15Å; A123-R126 PolarHBondContact O-N 2.93Å; A123-G127 PolarHBondContact O-N 2.92Å; A123-D128 PolarHBondContact O-N 3.33Å; A123-L135 HydrophobicContact CB-CD1 3.88Å
124I86.3Confident86.7Confident26 Ų2656 Ų5613%0.13330%0.296CS..Hα-helixtrans-78.2-35.1-179.1-55.9162.2000111.1L120 V121 H122 R126 G127 L132 I148 T150 T161L120-I124 HydrophobicContact CD2-CD1 4.02Å; L120-I124 HydrophobicContact CG-CD1 4.43Å; L120-I124 WeakPolarHBondContact O-CD1 3.4Å; L120-I124 WeakPolarHBondContact O-CG1 3.42Å; L120-I124 PolarHBondContact O-N 3.11Å; V121-I124 PolarHBondContact O-N 3.47Å; H122-I124 VanDerWaalsContact C-N 3.32Å; H122-I124 PolarHBondContact O-N 2.77Å; I124-R126 VanDerWaalsContact C-N 3.26Å; I124-R126 PolarHBondContact O-N 3.2Å; I124-G127 PolarHBondContact O-N 3.37Å; I124-L132 HydrophobicContact CD1-CD1 3.83Å; I124-L132 HydrophobicContact CD1-CD2 4.38Å; I124-L132 HydrophobicContact CG1-CD1 3.64Å; I124-L132 HydrophobicContact CG1-CD2 3.78Å; I124-L132 HydrophobicContact CG1-CG 4.28Å; I124-I148 HydrophobicContact CD1-CB 4.22Å; I124-I148 HydrophobicContact CD1-CD1 3.54Å; I124-I148 HydrophobicContact CD1-CG1 3.7Å; I124-I148 HydrophobicContact CD1-CG2 3.57Å; I124-T150 HydrophobicContact CG2-CG2 4.19Å; I124-T161 HydrophobicContact CB-CG2 4.25Å; I124-T161 HydrophobicContact CG2-CG2 3.78Å
125N85.3Confident86.6Confident72 Ų7247.6 Ų47.639%0.38526%0.263SS..Hα-helixtrans-63.1-33.6172.7-63-14.7000111.5V121 H122 T161V121-N125 PolarHBondContact O-N 2.87Å; V121-N125 PolarHBondContact O-ND2 3.04Å; V121-N125 PolarHBondContact O-OD1 3.43Å; H122-N125 PolarHBondContact O-N 2.86Å; N125-T161 WeakPolarHBondContact OD1-CG2 3.49Å; N125-T161 PolarHBondContact OD1-OG1 3.43Å
126R84.8Confident86.8Confident122 Ų12245.5 Ų45.546%0.4624%0.238SC..Hα-helixtrans-80.8-25.3172.8-160.670.6-180-129.44.9113.1A91 E92 R93 H122 A123 I124 D128A91-R126 WeakPolarHBondContact O-CD 3.4Å; A91-R126 PolarHBondContact O-NH1 3.04Å; E92-R126 IonicContact OE2-CZ 3.26Å; E92-R126 IonicContact OE2-NH1 3.26Å; E92-R126 PolarHBondContact OE2-NH1 3.32Å; R93-R126 HydrophobicContact CB-CG 4.31Å; H122-R126 PolarHBondContact O-N 2.83Å; A123-R126 PolarHBondContact O-N 2.93Å; I124-R126 VanDerWaalsContact C-N 3.26Å; I124-R126 PolarHBondContact O-N 3.2Å; R126-D128 VanDerWaalsContact CG-OD2 3.26Å; R126-D128 WeakPolarHBondContact CG-OD2 3.45Å
127G82.9Confident87Confident50 Ų5046.8 Ų46.852%0.51524%0.236SC..THydrogen-bonded Turntrans93.112.5176.800000115.3A123 I124 R129A123-G127 PolarHBondContact O-N 2.92Å; I124-G127 PolarHBondContact O-N 3.37Å; G127-R129 PolarHBondContact O-N 3.37Å; G127-R129 VanDerWaalsContact O-N 3.12Å
128D84.6Confident87.2Confident13 Ų1347 Ų477%0.0724%0.237CC..  trans-8491.4-169.2-77.7-54.1000113.3R93 A123 R126 D130 T131 L132R93-D128 VanDerWaalsContact CG-OD2 3.25Å; R93-D128 WeakPolarHBondContact CG-OD2 3.17Å; R93-D128 IonicContact CZ-OD1 3.97Å; R93-D128 VanDerWaalsContact CZ-OD1 3.26Å; R93-D128 IonicContact NE-OD1 3.71Å; R93-D128 PolarHBondContact NE-OD1 3.28Å; R93-D128 IonicContact NE-OD2 3.4Å; R93-D128 PolarHBondContact NE-OD2 2.95Å; R93-D128 IonicContact NH2-OD1 2.94Å; R93-D128 PolarHBondContact NH2-OD1 3.44Å; A123-D128 PolarHBondContact O-N 3.33Å; R126-D128 VanDerWaalsContact CG-OD2 3.26Å; R126-D128 WeakPolarHBondContact CG-OD2 3.45Å; D128-D130 VanDerWaalsContact C-N 3.34Å; D128-D130 PolarHBondContact O-N 3.2Å; D128-T131 HydrophobicContact CB-CG2 4.29Å; D128-T131 WeakPolarHBondContact CB-OG1 3.19Å; D128-T131 PolarHBondContact O-N 3.26Å; D128-T131 PolarHBondContact O-OG1 2.87Å; D128-L132 VanDerWaalsContact O-CB 3.27Å; D128-L132 WeakPolarHBondContact O-CB 3.18Å; D128-L132 PolarHBondContact O-N 3.43Å
129R86.8Confident87Confident206 Ų20647.1 Ų47.178%0.77724%0.238SC*.Hα-helixtrans-56.6-43.6-178.7-60.6-169.169.2165.80.7112.8G127 L132 Q133G127-R129 PolarHBondContact O-N 3.37Å; G127-R129 VanDerWaalsContact O-N 3.12Å; R129-L132 WeakPolarHBondContact O-CB 3.31Å; R129-L132 PolarHBondContact O-N 2.87Å; R129-Q133 PolarHBondContact O-N 2.66Å
130D89.4Confident86.9Confident104 Ų10453.7 Ų53.756%0.55627%0.267SS*.Hα-helixtrans-64.4-44.4-177.4-52.70.6000111.8R96 D128 V134R96-D130 HydrophobicContact CB-CB 4.09Å; D128-D130 VanDerWaalsContact C-N 3.34Å; D128-D130 PolarHBondContact O-N 3.2Å; D130-V134 WeakPolarHBondContact O-CG2 3.24Å; D130-V134 PolarHBondContact O-N 3.41Å
131T89.4Confident86.7Confident5 Ų558 Ų583%0.03130%0.302CS..Hα-helixtrans-69.9-37.917761.70000110.7R96 V99 D128 Q133 V134 L135R96-T131 HydrophobicContact CB-CG2 4.4Å; V99-T131 HydrophobicContact CG2-CG2 4.15Å; D128-T131 HydrophobicContact CB-CG2 4.29Å; D128-T131 WeakPolarHBondContact CB-OG1 3.19Å; D128-T131 PolarHBondContact O-N 3.26Å; D128-T131 PolarHBondContact O-OG1 2.87Å; T131-Q133 VanDerWaalsContact C-N 3.33Å; T131-Q133 PolarHBondContact O-N 3.18Å; T131-V134 PolarHBondContact O-N 3.47Å; T131-L135 WeakPolarHBondContact O-CB 3.37Å; T131-L135 WeakPolarHBondContact O-CD1 3.43Å; T131-L135 WeakPolarHBondContact O-CG 3.32Å; T131-L135 PolarHBondContact O-N 2.97Å
132L88.1Confident86.4Confident35 Ų3561.3 Ų61.318%0.18332%0.316CS..Hα-helixtrans-61.9-40.3177.3176.862.1000111.7L120 I124 D128 R129 L135 L136L120-L132 HydrophobicContact CD1-CD1 4.18Å; L120-L132 HydrophobicContact CG-CD1 3.87Å; I124-L132 HydrophobicContact CD1-CD1 3.83Å; I124-L132 HydrophobicContact CD1-CD2 4.38Å; I124-L132 HydrophobicContact CG1-CD1 3.64Å; I124-L132 HydrophobicContact CG1-CD2 3.78Å; I124-L132 HydrophobicContact CG1-CG 4.28Å; D128-L132 VanDerWaalsContact O-CB 3.27Å; D128-L132 WeakPolarHBondContact O-CB 3.18Å; D128-L132 PolarHBondContact O-N 3.43Å; R129-L132 WeakPolarHBondContact O-CB 3.31Å; R129-L132 PolarHBondContact O-N 2.87Å; L132-L135 PolarHBondContact O-N 3.12Å; L132-L136 HydrophobicContact CD1-CD1 4.11Å; L132-L136 HydrophobicContact CD1-CG 4.16Å; L132-L136 HydrophobicContact CG-CD1 3.93Å; L132-L136 HydrophobicContact CG-CG 4.44Å; L132-L136 WeakPolarHBondContact O-CB 3.34Å; L132-L136 VanDerWaalsContact O-CG 3.28Å; L132-L136 WeakPolarHBondContact O-CG 3.25Å; L132-L136 PolarHBondContact O-N 2.83Å
133Q88.6Confident85.7Confident128 Ų12862.2 Ų62.260%0.59833%0.334SS*.Hα-helixtrans-65-48.6177.5-174.6166.3-13.100111.4R129 T131 L135 L136 D137R129-Q133 PolarHBondContact O-N 2.66Å; T131-Q133 VanDerWaalsContact C-N 3.33Å; T131-Q133 PolarHBondContact O-N 3.18Å; Q133-L135 VanDerWaalsContact C-N 3.29Å; Q133-L135 PolarHBondContact O-N 2.91Å; Q133-L136 PolarHBondContact O-N 3.33Å; Q133-L136 VanDerWaalsContact O-N 3.14Å; Q133-D137 PolarHBondContact O-N 3.02Å
134V90.8Very high84.9Confident45 Ų4565.5 Ų65.527%0.27335%0.349SS..Hα-helixtrans-57-41.5174.81740000111.7V99 A100 L103 D130 T131 A138V99-V134 HydrophobicContact CG1-CG1 4.45Å; A100-V134 HydrophobicContact CB-CG1 4.32Å; L103-V134 HydrophobicContact CD1-CG1 3.83Å; D130-V134 WeakPolarHBondContact O-CG2 3.24Å; D130-V134 PolarHBondContact O-N 3.41Å; T131-V134 PolarHBondContact O-N 3.47Å; V134-A138 WeakPolarHBondContact O-CB 3.36Å; V134-A138 PolarHBondContact O-N 2.78Å
135L88.4Confident83.7Confident0 Ų069.6 Ų69.60%037%0.368CS..Hα-helixtrans-67.2-41.3176-70.9161.9000112.8L86 C90 V99 L103 P109 L120 A123 T131 L132 Q133 A138 C139L86-L135 HydrophobicContact CD1-CD2 4.47Å; L86-L135 HydrophobicContact CD2-CD2 4.06Å; C90-L135 VanDerWaalsContact SG-CD1 3.59Å; V99-L135 HydrophobicContact CG1-CD2 3.77Å; V99-L135 HydrophobicContact CG1-CG 3.91Å; L103-L135 HydrophobicContact CD1-CD2 4.35Å; P109-L135 HydrophobicContact CB-CD2 4.21Å; L120-L135 HydrophobicContact CD1-CB 4.47Å; A123-L135 HydrophobicContact CB-CD1 3.88Å; T131-L135 WeakPolarHBondContact O-CB 3.37Å; T131-L135 WeakPolarHBondContact O-CD1 3.43Å; T131-L135 WeakPolarHBondContact O-CG 3.32Å; T131-L135 PolarHBondContact O-N 2.97Å; L132-L135 PolarHBondContact O-N 3.12Å; Q133-L135 VanDerWaalsContact C-N 3.29Å; Q133-L135 PolarHBondContact O-N 2.91Å; L135-A138 PolarHBondContact O-N 3.38Å; L135-C139 WeakPolarHBondContact O-CB 3.38Å; L135-C139 PolarHBondContact O-N 2.98Å; L135-C139 PolarHBondContact O-SG 2.98Å
136L86.9Confident82.7Confident49 Ų4967.4 Ų67.426%0.25736%0.357SS..Hα-helixtrans-64-43.9177.4-79.3167.4000111L120 L132 Q133 C139 K140 I148L120-L136 HydrophobicContact CD1-CD2 3.83Å; L120-L136 HydrophobicContact CD1-CG 4.14Å; L132-L136 HydrophobicContact CD1-CD1 4.11Å; L132-L136 HydrophobicContact CD1-CG 4.16Å; L132-L136 HydrophobicContact CG-CD1 3.93Å; L132-L136 HydrophobicContact CG-CG 4.44Å; L132-L136 WeakPolarHBondContact O-CB 3.34Å; L132-L136 VanDerWaalsContact O-CG 3.28Å; L132-L136 WeakPolarHBondContact O-CG 3.25Å; L132-L136 PolarHBondContact O-N 2.83Å; Q133-L136 PolarHBondContact O-N 3.33Å; Q133-L136 VanDerWaalsContact O-N 3.14Å; L136-C139 PolarHBondContact O-N 3.44Å; L136-K140 VanDerWaalsContact O-CG 3.31Å; L136-K140 WeakPolarHBondContact O-CG 3.22Å; L136-K140 PolarHBondContact O-N 3.39Å; L136-I148 HydrophobicContact CD2-CD1 4.46Å
137D88.4Confident81.6Confident69 Ų6965.4 Ų65.437%0.36935%0.354SS..Hα-helixtrans-68.8-36.1179.9-64.9-29.5000111.5Q133 K140 A141Q133-D137 PolarHBondContact O-N 3.02Å; D137-K140 PolarHBondContact O-N 2.82Å; D137-K140 IonicContact OD1-NZ 2.67Å; D137-K140 PolarHBondContact OD1-NZ 3.2Å; D137-A141 WeakPolarHBondContact O-CB 3.28Å; D137-A141 PolarHBondContact O-N 3.42Å
138A87.1Confident80.7Confident19 Ų1965.4 Ų65.416%0.15734%0.342CS..Hα-helixtrans-68.8-32.9169.800000113.9L103 V134 L135 A141 K142L103-A138 HydrophobicContact CD1-CB 3.76Å; L103-A138 HydrophobicContact CD2-CB 3.94Å; L103-A138 HydrophobicContact CG-CB 4.34Å; V134-A138 WeakPolarHBondContact O-CB 3.36Å; V134-A138 PolarHBondContact O-N 2.78Å; L135-A138 PolarHBondContact O-N 3.38Å; A138-A141 PolarHBondContact O-N 3.36Å; A138-K142 PolarHBondContact O-N 3.3Å
139C84.8Confident79.5Confident5 Ų568.5 Ų68.53%0.03436%0.357CS..Hα-helixtrans-67.3-42.8172.4-76.30000111.8L135 L136 K142 G143 K144 V146L135-C139 WeakPolarHBondContact O-CB 3.38Å; L135-C139 PolarHBondContact O-N 2.98Å; L135-C139 PolarHBondContact O-SG 2.98Å; L136-C139 PolarHBondContact O-N 3.44Å; C139-K142 CarbonylContact O-C 3.42Å; C139-K142 PolarHBondContact O-N 2.91Å; C139-G143 PolarHBondContact O-N 3.13Å; C139-K144 CarbonylContact C-O 3.5Å; C139-K144 PolarHBondContact O-N 3.41Å; C139-V146 HydrophobicContact CB-CG2 4.22Å
140K84.4Confident78.3Confident138 Ų13862.7 Ų62.760%0.635%0.345SS*.Hα-helixtrans-58.5-47.2171.8-66.8167.9-161.7165.30110.9L136 D137 K142 G143L136-K140 VanDerWaalsContact O-CG 3.31Å; L136-K140 WeakPolarHBondContact O-CG 3.22Å; L136-K140 PolarHBondContact O-N 3.39Å; D137-K140 PolarHBondContact O-N 2.82Å; D137-K140 IonicContact OD1-NZ 2.67Å; D137-K140 PolarHBondContact OD1-NZ 3.2Å; K140-K142 VanDerWaalsContact C-N 3.27Å; K140-K142 PolarHBondContact O-N 2.93Å; K140-G143 WeakPolarHBondContact O-CA 3.48Å; K140-G143 PolarHBondContact O-N 2.98Å
141A84.1Confident76.7Confident90 Ų9059.8 Ų59.874%0.74433%0.331SS*.Hα-helixtrans-61.3-33.3177.200000112.9D137 A138 G143D137-A141 WeakPolarHBondContact O-CB 3.28Å; D137-A141 PolarHBondContact O-N 3.42Å; A138-A141 PolarHBondContact O-N 3.36Å; A141-G143 PolarHBondContact O-N 3.27Å
142K78.9Confident74.9Confident77 Ų7766.3 Ų66.334%0.33537%0.366SS..THydrogen-bonded Turntrans-8415171.6-70.4-173.6171.7-172.40113.9A107 D108 P109 A138 C139 K140 K144A107-K142 PolarHBondContact O-NZ 3.01Å; D108-K142 IonicContact OD1-NZ 2.71Å; D108-K142 PolarHBondContact OD1-NZ 3.07Å; P109-K142 HydrophobicContact CG-CD 4.38Å; A138-K142 PolarHBondContact O-N 3.3Å; C139-K142 CarbonylContact O-C 3.42Å; C139-K142 PolarHBondContact O-N 2.91Å; K140-K142 VanDerWaalsContact C-N 3.27Å; K140-K142 PolarHBondContact O-N 2.93Å; K142-K144 VanDerWaalsContact C-N 3.29Å; K142-K144 PolarHBondContact O-N 3.2Å
143G72.7Confident73.3Confident53 Ų5368.8 Ų68.855%0.54638%0.383SS..THydrogen-bonded Turntrans67.521.4174.100000115.2C139 K140 A141C139-G143 PolarHBondContact O-N 3.13Å; K140-G143 WeakPolarHBondContact O-CA 3.48Å; K140-G143 PolarHBondContact O-N 2.98Å; A141-G143 PolarHBondContact O-N 3.27Å
144K70Confident71.7Confident69 Ų6964.2 Ų64.230%0.337%0.365SS..  trans-115102.5-171.2-75.3166.6-175.4167.60110.4S110 C139 K142 V146 L165S110-K144 PolarHBondContact OG-NZ 2.84Å; C139-K144 CarbonylContact C-O 3.5Å; C139-K144 PolarHBondContact O-N 3.41Å; K142-K144 VanDerWaalsContact C-N 3.29Å; K142-K144 PolarHBondContact O-N 3.2Å; K144-V146 PolarHBondContact O-N 2.87Å; K144-L165 HydrophobicContact CB-CD1 3.88Å; K144-L165 HydrophobicContact CG-CD1 4.15Å
145E61.2Low70Confident113 Ų11369.1 Ų69.153%0.52840%0.397SS..EExtended strand (participates in β ladder)trans-71.1124.3169.8-77.9-169.5174.400110.3N166E145-N166 HydrophobicContact CB-CB 3.48Å; E145-N166 VanDerWaalsContact CB-CB 3.48Å; E145-N166 PolarHBondContact O-N 3.18Å; E145-N166 WeakPolarHBondContact OE2-CB 3.15Å; E145-N166 PolarHBondContact OE2-ND2 3.43Å
146V64.5Low68.8Low26 Ų2673.4 Ų73.416%0.15843%0.428CS..EExtended strand (participates in β ladder)trans-117.8106.8-176.1-1790000109.9L120 C139 K144 I148 Q163 L165L120-V146 HydrophobicContact CD1-CG1 4.25Å; L120-V146 HydrophobicContact CD2-CG1 3.75Å; C139-V146 HydrophobicContact CB-CG2 4.22Å; K144-V146 PolarHBondContact O-N 2.87Å; V146-I148 HydrophobicContact CG1-CG1 4.33Å; V146-Q163 HydrophobicContact CG1-CG 3.48Å; V146-Q163 VanDerWaalsContact CG1-CG 3.48Å; V146-L165 HydrophobicContact CG2-CD1 4.27Å
147I61.5Low67.7Low79 Ų7973.8 Ų73.841%0.40544%0.443SS..EExtended strand (participates in β ladder)trans-83.7117.5168.9-62.4-178.1000108.2I149 Y164 N166I147-I149 HydrophobicContact CG2-CG1 4.22Å; I147-Y164 PolarHBondContact N-O 2.86Å; I147-Y164 PolarHBondContact O-N 3.04Å; I147-Y164 VanDerWaalsContact O-O 3.05Å; I147-N166 WeakPolarHBondContact CD1-OD1 3.18Å
148I64.4Low66.3Low50 Ų5074.2 Ų74.226%0.25645%0.448SS..EExtended strand (participates in β ladder)trans-94.7120.6172.1-56.1139.6000107.7L120 I124 L136 V146 T150L120-I148 HydrophobicContact CD2-CD1 3.92Å; L120-I148 HydrophobicContact CD2-CG1 3.57Å; I124-I148 HydrophobicContact CD1-CB 4.22Å; I124-I148 HydrophobicContact CD1-CD1 3.54Å; I124-I148 HydrophobicContact CD1-CG1 3.7Å; I124-I148 HydrophobicContact CD1-CG2 3.57Å; L136-I148 HydrophobicContact CD2-CD1 4.46Å; V146-I148 HydrophobicContact CG1-CG1 4.33Å; I148-T150 HydrophobicContact CG2-CG2 4Å
149I60Low65.2Low78 Ų7879.1 Ų79.140%0.447%0.466SS..EExtended strand (participates in β ladder)trans-101.7107.4163.1-55.7-175000107.6I147 T151 K162 Y164I147-I149 HydrophobicContact CG2-CG1 4.22Å; I149-T151 HydrophobicContact CG2-CG2 4.12Å; I149-T151 PolarHBondContact O-N 2.84Å; I149-T151 VanDerWaalsContact O-N 3.11Å; I149-K162 PolarHBondContact N-O 3.34Å; I149-K162 PolarHBondContact O-N 2.95Å; I149-Y164 HydrophobicContact CB-CD2 4.2Å; I149-Y164 HydrophobicContact CB-CE2 3.93Å; I149-Y164 HydrophobicContact CD1-CD2 3.83Å; I149-Y164 HydrophobicContact CD1-CE2 3.66Å; I149-Y164 HydrophobicContact CG1-CD2 3.79Å; I149-Y164 HydrophobicContact CG1-CE2 3.85Å
150T61.3Low64.1Low85 Ų8585.6 Ų85.652%0.52149%0.494SS..EExtended strand (participates in β ladder)trans-75.393.4169.157.50000108.2I124 I148 T161I124-T150 HydrophobicContact CG2-CG2 4.19Å; I148-T150 HydrophobicContact CG2-CG2 4Å; T150-T161 HydrophobicContact CG2-CG2 3.76Å
151T55.5Low63.1Low43 Ų4379.7 Ų79.726%0.26447%0.469SS..EExtended strand (participates in β ladder)trans-69.9154.9171.2590000110.3I149 K160 K162I149-T151 HydrophobicContact CG2-CG2 4.12Å; I149-T151 PolarHBondContact O-N 2.84Å; I149-T151 VanDerWaalsContact O-N 3.11Å; T151-K160 CarbonylContact C-O 3.41Å; T151-K160 WeakPolarHBondContact CA-O 3.46Å; T151-K160 PolarHBondContact N-O 3.27Å; T151-K160 PolarHBondContact OG1-O 2.96Å; T151-K162 HydrophobicContact CG2-CD 4.32Å
152D50.7Low62.2Low142 Ų14281 Ų8176%0.75946%0.458SS*.EExtended strand (participates in β ladder)trans-53.8152.9-155.5-58.5-70.4000115.9S154D152-S154 PolarHBondContact O-N 3.21Å
153T55.4Low61.6Low87 Ų8778.4 Ų78.453%0.53445%0.447SS..EExtended strand (participates in β ladder)trans-58.1108.6163.542.40000109.1K159T153-K159 HydrophobicContact CG2-CD 4.36Å; T153-K159 HydrophobicContact CG2-CG 3.56Å
154S55.1Low61.1Low32 Ų3281.2 Ų81.222%0.22444%0.442CS..  trans-61.3155.5166.462.20000110.1D152 S156 G157 T158D152-S154 PolarHBondContact O-N 3.21Å; S154-S156 PolarHBondContact O-N 2.93Å; S154-S156 PolarHBondContact OG-OG 3.19Å; S154-S156 VanDerWaalsContact OG-OG 3.07Å; S154-G157 PolarHBondContact O-N 3.36Å; S154-T158 PolarHBondContact N-O 3.39Å; S154-T158 PolarHBondContact OG-O 2.76Å; S154-T158 PolarHBondContact OG-OG1 2.81Å
155P54.4Low60.6Low147 Ų14782 Ų8296%0.95545%0.449SS*.THydrogen-bonded Turntrans-60.9-12.9-176.522.8-34.2000114.3G157P155-G157 PolarHBondContact O-N 3.22Å
156S63.5Low60.3Low91 Ų9179.7 Ų79.764%0.63644%0.441SS*.THydrogen-bonded Turntrans-79.411.5167.451.40000114.7S154 T158S154-S156 PolarHBondContact O-N 2.93Å; S154-S156 PolarHBondContact OG-OG 3.19Å; S154-S156 VanDerWaalsContact OG-OG 3.07Å; S156-T158 PolarHBondContact O-N 2.96Å; S156-T158 PolarHBondContact OG-OG1 3.24Å
157G63.2Low59.3Low56 Ų5683.2 Ų83.258%0.57747%0.466SS*.SBendtrans72.7-12-178.100000115.1S154 P155 K159S154-G157 PolarHBondContact O-N 3.36Å; P155-G157 PolarHBondContact O-N 3.22Å; G157-K159 PolarHBondContact O-N 3.49Å
158T59.5Low58.4Low79 Ų7983 Ų8349%0.48547%0.47SS..  trans-75.9109.1-17847.60000110.9S154 S156S154-T158 PolarHBondContact N-O 3.39Å; S154-T158 PolarHBondContact OG-O 2.76Å; S154-T158 PolarHBondContact OG-OG1 2.81Å; S156-T158 PolarHBondContact O-N 2.96Å; S156-T158 PolarHBondContact OG-OG1 3.24Å
159K63.4Low57.3Low122 Ų12286.3 Ų86.353%0.5349%0.494SS..EExtended strand (participates in β ladder)trans-64.7134.4167.8-66.1175.5-177.8178.40109T153 G157T153-K159 HydrophobicContact CG2-CD 4.36Å; T153-K159 HydrophobicContact CG2-CG 3.56Å; G157-K159 PolarHBondContact O-N 3.49Å
160K63.3Low56.3Low141 Ų14187.9 Ų87.961%0.61351%0.513SS*.EExtended strand (participates in β ladder)trans-108.1116.8171.2-71.8-176.3177.9179.30108.3T151T151-K160 CarbonylContact C-O 3.41Å; T151-K160 WeakPolarHBondContact CA-O 3.46Å; T151-K160 PolarHBondContact N-O 3.27Å; T151-K160 PolarHBondContact OG1-O 2.96Å
161T62.3Low56Low13 Ų1390.7 Ų90.78%0.0853%0.532CS..EExtended strand (participates in β ladder)trans-107.4135.6-178.1660000111.2V121 I124 N125 T150V121-T161 WeakPolarHBondContact CG1-OG1 3.31Å; V121-T161 PolarHBondContact O-OG1 3.48Å; I124-T161 HydrophobicContact CB-CG2 4.25Å; I124-T161 HydrophobicContact CG2-CG2 3.78Å; N125-T161 WeakPolarHBondContact OD1-CG2 3.49Å; N125-T161 PolarHBondContact OD1-OG1 3.43Å; T150-T161 HydrophobicContact CG2-CG2 3.76Å
162K65.1Low55.8Low117 Ų11791.7 Ų91.751%0.50955%0.551SS.*EExtended strand (participates in β ladder)trans-114.8132178.3-73-174.6177.6-1800109.6I149 T151 Y164I149-K162 PolarHBondContact N-O 3.34Å; I149-K162 PolarHBondContact O-N 2.95Å; T151-K162 HydrophobicContact CG2-CD 4.32Å; K162-Y164 HydrophobicContact CB-CD2 4.42Å; K162-Y164 HydrophobicContact CB-CE2 3.66Å
163Q65.7Low55.6Low23 Ų2391.4 Ų91.411%0.10755%0.548CS..EExtended strand (participates in β ladder)trans-100.5115.1-178.5-170.7-160.929.800110.9R112 L120 V121 V146R112-Q163 PolarHBondContact NH2-O 3.2Å; L120-Q163 HydrophobicContact CD2-CG 4.45Å; V121-Q163 HydrophobicContact CG2-CB 3.76Å; V146-Q163 HydrophobicContact CG1-CG 3.48Å; V146-Q163 VanDerWaalsContact CG1-CG 3.48Å
164Y62.9Low55.3Low112 Ų11294.2 Ų94.244%0.43957%0.565SS.*EExtended strand (participates in β ladder)trans-100.8127.2170.8-62.4-96.4000107.7I147 I149 K162I147-Y164 PolarHBondContact N-O 2.86Å; I147-Y164 PolarHBondContact O-N 3.04Å; I147-Y164 VanDerWaalsContact O-O 3.05Å; I149-Y164 HydrophobicContact CB-CD2 4.2Å; I149-Y164 HydrophobicContact CB-CE2 3.93Å; I149-Y164 HydrophobicContact CD1-CD2 3.83Å; I149-Y164 HydrophobicContact CD1-CE2 3.66Å; I149-Y164 HydrophobicContact CG1-CD2 3.79Å; I149-Y164 HydrophobicContact CG1-CE2 3.85Å; K162-Y164 HydrophobicContact CB-CD2 4.42Å; K162-Y164 HydrophobicContact CB-CE2 3.66Å
165L60.5Low54.4Low87 Ų8799.7 Ų99.746%0.45559%0.592SS.*EExtended strand (participates in β ladder)trans-94.9116176.6-179.372000107.5K144 V146 S167K144-L165 HydrophobicContact CB-CD1 3.88Å; K144-L165 HydrophobicContact CG-CD1 4.15Å; V146-L165 HydrophobicContact CG2-CD1 4.27Å; L165-S167 PolarHBondContact O-N 3Å
166N54.4Low54.2Low64 Ų64101.8 Ų101.834%0.34259%0.586SS.*EExtended strand (participates in β ladder)trans-72.8106.2160.8-92.211.8000106.6E145 I147 P168E145-N166 HydrophobicContact CB-CB 3.48Å; E145-N166 VanDerWaalsContact CB-CB 3.48Å; E145-N166 PolarHBondContact O-N 3.18Å; E145-N166 WeakPolarHBondContact OE2-CB 3.15Å; E145-N166 PolarHBondContact OE2-ND2 3.43Å; I147-N166 WeakPolarHBondContact CD1-OD1 3.18Å; N166-P168 VanDerWaalsContact O-CD 3.22Å; N166-P168 WeakPolarHBondContact O-CD 3.35Å
167S42.5Very low53Low100 Ų100105.6 Ų105.670%0.69960%0.598SS**  trans-75.6108.4154.551.50000107.1L165L165-S167 PolarHBondContact O-N 3Å
168P42.9Very low51.6Low74 Ų74108.4 Ų108.448%0.48161%0.609SS.*PPolyproline II helixtrans-58.8144.7170.826.7-34.2000108.9N166 S170N166-P168 VanDerWaalsContact O-CD 3.22Å; N166-P168 WeakPolarHBondContact O-CD 3.35Å; P168-S170 PolarHBondContact O-N 3.44Å
169P42.2Very low51Low119 Ų119110.8 Ų110.877%0.77363%0.625SS**PPolyproline II helixtrans-60.3130.4178.825.5-33.6000109.7P171P169-P171 WeakPolarHBondContact O-CD 3.26Å; P169-P171 VanDerWaalsContact O-N 3.16Å
170S38.7Very low49.5Very low112 Ų112109.1 Ų109.178%0.78364%0.635SS**PPolyproline II helixtrans-52.5118.7-179.3-54.40000110.6P168 G172P168-S170 PolarHBondContact O-N 3.44Å; S170-G172 VanDerWaalsContact C-N 3.28Å; S170-G172 PolarHBondContact O-N 3.18Å
171P55.5Low48.2Very low143 Ų143108.9 Ų108.993%0.92965%0.649SS**THydrogen-bonded Turntrans-76.179.2-176.330.7-35.1000110.1P169P169-P171 WeakPolarHBondContact O-CD 3.26Å; P169-P171 VanDerWaalsContact O-N 3.16Å
172G51.6Low47.2Very low64 Ų64116.2 Ų116.266%0.6669%0.685SS**THydrogen-bonded Turntrans-173.18.3-167.900000120.1S170S170-G172 VanDerWaalsContact C-N 3.28Å; S170-G172 PolarHBondContact O-N 3.18Å
173I45Very low45.9Very low137 Ų137115.8 Ų115.870%0.70370%0.697SS**  trans-142127.5160-85110.5000108.8D175I173-D175 HydrophobicContact CG2-CB 3.81Å; I173-D175 VanDerWaalsContact CG2-CG 3.45Å; I173-D175 VanDerWaalsContact CG2-OD2 3.23Å; I173-D175 WeakPolarHBondContact CG2-OD2 3.38Å
174V50.3Low44.8Very low146 Ų146121.1 Ų121.189%0.88573%0.733SS**  trans-101.863.7173.7-81.50000110.6K176V174-K176 PolarHBondContact O-N 2.69Å
175D36.3Very low43.8Very low147 Ų147120.4 Ų120.479%0.78674%0.744SS**  trans-81.2104.4171-81.2-26.9000110.2I173I173-D175 HydrophobicContact CG2-CB 3.81Å; I173-D175 VanDerWaalsContact CG2-CG 3.45Å; I173-D175 VanDerWaalsContact CG2-OD2 3.23Å; I173-D175 WeakPolarHBondContact CG2-OD2 3.38Å
176K48.6Very low42.7Very low191 Ų191125.3 Ų125.383%0.8377%0.765SS**  trans-60.6157.5159.5-78.6177.3169.3176.60109.6V174V174-K176 PolarHBondContact O-N 2.69Å
177L40Very low42.1Very low171 Ų171129.1 Ų129.190%0.89579%0.79SS**  trans84.980.5168.2-50.7170.8000117
178S33.9Very low41.8Very low115 Ų115132.7 Ų132.780%0.80480%0.796SS**  -149130.3122.452.20000110.1
179P45Very low41.4Very low128 Ų128136.7 Ų136.783%0.83181%0.812SS**  trans-80.1161.6-179.532.9-34.9000111.9
180A32.2Very low40.9Very low88 Ų88134.7 Ų134.773%0.72781%0.812SS**  trans-62.6139.9179.300000112.6M182A180-M182 PolarHBondContact O-N 3.24Å
181C37.5Very low40.8Very low136 Ų136135.8 Ų135.892%0.91982%0.815SS**  trans-71.594.2169.145.10000110.6
182M40.3Very low39.6Very low166 Ų166134 Ų13482%0.81881%0.812SS**  trans-106.4130.8168.8-65.6-1296700110A180A180-M182 PolarHBondContact O-N 3.24Å
183S37.7Very low38.9Very low109 Ų109136.3 Ų136.376%0.76282%0.818SS**  trans-69.2129.5-179.7-54.40000111.5S185S183-S185 PolarHBondContact O-N 3.15Å
184P43.1Very low39.2Very low135 Ų135135.5 Ų135.588%0.87782%0.821SS**  trans-84.294.4168.532.8-30.6000109.9
185S41.4Very low38.3Very low96 Ų96133.3 Ų133.367%0.67182%0.819SS**  trans-113.1126.5162.6-64.30000108.2S183S183-S185 PolarHBondContact O-N 3.15Å
186E37.8Very low38.2Very low190 Ų190130 Ų13089%0.88882%0.819SS**  trans59.8113.6173.5-61.2173.311400116.9
187V41.7Very low37.3Very low145 Ų145127 Ų12788%0.87981%0.812SS**  -165.6135.8110.1150.40000106.9
188E37.1Very low36.9Very low174 Ų174128.1 Ų128.181%0.81381%0.805SS**  trans-107.5178.2-178.8-65.8-167.1137.800113
189I34.1Very low36.8Very low159 Ų159128.6 Ų128.682%0.81580%0.803SS**  trans80.4116.2162.6-47.5178.8000116.5
190G31.6Very low36.1Very low76 Ų76130 Ų13078%0.78480%0.804SS**  trans-170.585.4169.900000110.6
191T36.3Very low36.1Very low136 Ų136132.9 Ų132.983%0.83481%0.806SS**  trans-82.9127.5-165.952.20000114.9
192A30.8Very low35.9Very low105 Ų105135 Ų13587%0.86880%0.8SS**  trans-160.2141.3148.800000112.5
193S36.7Very low35.6Very low113 Ų113135.9 Ų135.979%0.7980%0.802SS**  trans-132161.4165.3-147.70000106.5
194P50.8Low35.5Very low119 Ų119133.9 Ų133.977%0.77380%0.799SS**  -157.7170.571.142.2-21.4000119.3
195A31.8Very low35.1Very low101 Ų101135.2 Ų135.284%0.83580%0.797SS**  trans78144.8141.200000123.4
196G33.2Very low34.6Very low77 Ų77140.6 Ų140.679%0.79481%0.809SS**  trans97.289.617000000114.2
197D29.6Very low34.2Very low128 Ų128137.3 Ų137.368%0.68481%0.807SS**  cis107.912434.2-164.837.5000113
198R32.4Very low33.6Very low195 Ų195140.2 Ų140.274%0.73681%0.808SS**  trans66.5109.8165.2-78.8155-144.5-89.3-10.3123.9
199T30.8Very low33.2Very low124 Ų124136.3 Ų136.376%0.76181%0.806SS**  59119128.860.20000120.9
200N31.2Very low33Very low159 Ų159136 Ų13685%0.8581%0.805SS**  -170.3156.180.9-137.4-0.6000112
201D31.4Very low32.9Very low147 Ų147138.4 Ų138.479%0.78680%0.804SS**  trans-97.6138.9-178.8-61.3-63.5000113.7
202K35.3Very low32.6Very low182 Ų182137.8 Ų137.879%0.79181%0.806SS**  168.7128.4124.9-92.6169.8-176.8-175.10115.6
203E33.6Very low32.5Very low183 Ų183137.3 Ų137.386%0.85580%0.802SS**  trans43.4133.1133.5-57.4174.9129.200122.3
204G35.2Very low32.4Very low68 Ų68139.1 Ų139.170%0.70180%0.802SS**  trans119.775.6165.600000114.6
205I33.7Very low32.1Very low162 Ų162139.9 Ų139.983%0.83181%0.807SS**  56.1101.784.8-54.7175.5000113.9
206F31.5Very low32.1Very low209 Ų209141.6 Ų141.692%0.91780%0.801SS**  trans30.798.6156.4-78.3-87.9000119.7
207S29.2Very low32.6Very low122 Ų122143.5 Ų143.585%0.85380%0.8SS**  trans-155.7145140.159.50000111.6
208F29.5Very low32.8Very low205 Ų205142.4 Ų142.490%0.89980%0.802SS**  trans-145.2114.5159.270.4-94.4000110.5
209A29.5Very low32.8Very low92 Ų92137.7 Ų137.776%0.7681%0.805SS**  trans-159.3137.4171.800000111.3
210L28.5Very low32.8Very low154 Ų154143.1 Ų143.181%0.80681%0.811SS**  trans62.9106.1162.7-89.679.5000121.3
211T29.3Very low33.8Very low125 Ų125140.7 Ų140.777%0.76780%0.804SS**  59.611412558.80000122.5
212S30.2Very low34.7Very low124 Ų124139.6 Ų139.687%0.86781%0.805SS**  -177.9169.2110.761.80000109.2
213A30.3Very low34.5Very low95 Ų95134.4 Ų134.479%0.78580%0.803SS**  cis-145.6175.55.500000112.8
214L34.7Very low34.5Very low151 Ų151132.8 Ų132.879%0.79180%0.796SS**  trans-81.4-179.9-179.7-63.2158.5000112.9
215P42.8Very low34.4Very low134 Ų134137.3 Ų137.387%0.8780%0.796SS**  -134.9171.786.921.8-1000116
216L31.8Very low34.4Very low137 Ų137141.2 Ų141.272%0.71780%0.8SS**  trans-133.5160.6-176.6-16389.6000109.9
217P45.3Very low35.1Very low118 Ų118136.7 Ų136.777%0.76679%0.792SS**  -137.1141.6110.933.5-20.2000112.3
218S33.4Very low36.4Very low104 Ų104136.7 Ų136.773%0.72779%0.789SS**  71.712660.8-154.70000112.5
219A31.8Very low37.2Very low97 Ų97132.9 Ų132.980%0.80279%0.785SS**  cis-138.9-146.817.100000115.5
220R30.3Very low37.7Very low238 Ų238140.3 Ų140.390%0.89879%0.793SS**  trans-154.3-170-154.2-123.5-175.3-174.6-174.85.2110.2
221P52.6Low38.5Very low107 Ų107143.2 Ų143.270%0.69580%0.799SS**  cis-131.7-142-25.841.8-20.8000110.2
222P49.8Very low39Very low125 Ų125145.4 Ų145.481%0.81281%0.805SS**  cis-136.6166.8-18.138.1-19000118.8
223G32.8Very low39.5Very low73 Ų73147.5 Ų147.575%0.75381%0.806SS**  trans100.8142.6152.300000118.3
224E33.1Very low40Very low149 Ų149152.5 Ų152.570%0.69681%0.81SS**  cis-158.8133.6-15.1-99.1-117.4118.200111.3
225K33Very low39.9Very low162 Ų162156.2 Ų156.270%0.70481%0.814SS**  trans57.8129.6147.5-64.6173.7-177.5136.10124.4
226R34.3Very low39.8Very low244 Ų244157.9 Ų157.992%0.92182%0.815SS**  trans103.9143.1148.9-73.2178.1174.1164.4-1.1120.5
227P45.4Very low40.2Very low115 Ų115158.3 Ų158.375%0.74782%0.817SS**PPolyproline II helixtrans-102.7164.7-174.740.7-36.7000115.5
228P55.7Low39.8Very low121 Ų121157.2 Ų157.279%0.78681%0.813SS**PPolyproline II helixtrans-87.9157.2179.935.1-36.1000115
229P47.3Very low40.4Very low125 Ų125160 Ų16081%0.81281%0.814SS**PPolyproline II helixtrans-90.6162.8-176.236-36.6000115.3
230R38.8Very low41.4Very low249 Ų249161.1 Ų161.194%0.9481%0.813SS**PPolyproline II helixtrans-73146.5174.3-62175177.5171.5-2.3111.6
231K46.9Very low41.7Very low214 Ų214161.5 Ų161.593%0.9382%0.815SS**PPolyproline II helixtrans-98.2142.9170.9-70.8-178.5177.9177.20111.2
232L38.8Very low41.1Very low171 Ų171160 Ų16090%0.89582%0.819SS**PPolyproline II helixtrans-97.6141-176-173.866.7000111
233L39.9Very low40.6Very low169 Ų169162.5 Ų162.589%0.88583%0.825SS**PPolyproline II helixtrans-79.7146.3176.3-74.1170.1000111.9
234K41Very low40.8Very low199 Ų199166 Ų16687%0.86583%0.831SS**PPolyproline II helixtrans-76.3132.9-176-68.8178.9174-179.60111.8
235R32.3Very low41Very low229 Ų229163.2 Ų163.286%0.86483%0.834SS**PPolyproline II helixtrans-75.3137.2153.4-102.8176.5165.3161.5-7.4108.7
236L42.6Very low41.6Very low170 Ų170161.3 Ų161.389%0.8984%0.838SS**PPolyproline II helixtrans-102.8127.4158.9-74.7170.3000107.5
237N39.3Very low41.5Very low145 Ų145155.2 Ų155.278%0.77583%0.832SS**PPolyproline II helixtrans-98156.3174.7-66.4-11.1000109.4
238S36.2Very low41Very low96 Ų96156.3 Ų156.367%0.67184%0.837SS**PPolyproline II helixtrans-89154.9178.448.50000113.1
239E47Very low40.1Very low162 Ų162158.1 Ų158.176%0.75784%0.839SS**  trans70.6162.8151.8-83169.8-115.600118.1
240P52Low39.3Very low120 Ų120158.1 Ų158.178%0.77984%0.842SS**  cis-119.9174.416.342.2-30000117.1
241W37.1Very low39Very low246 Ų246149.1 Ų149.193%0.93283%0.827SS**  trans-84.2155.2172.1-72.565.6000112.4
242G40.4Very low38.5Very low76 Ų76145.4 Ų145.478%0.78482%0.821SS**  trans125.799.7153.700000115.9
243L39.4Very low38.6Very low178 Ų178143.3 Ų143.393%0.93282%0.818SS**  trans-152.2144.6157.4-110.5172.2000109.7
244V37.3Very low39.2Very low145 Ų145140.1 Ų140.188%0.87981%0.808SS**  trans-130.8128.4-175.7173.70000109.8
245A37.2Very low38.8Very low92 Ų92137.7 Ų137.776%0.7680%0.804SS**  trans-165.5164.3173.500000108.3
246P44.1Very low38.8Very low121 Ų121138.2 Ų138.279%0.78681%0.806SS**  cis-128.8162.4940.5-25.5000116.3
247S33.9Very low38.4Very low116 Ų116137.5 Ų137.581%0.81180%0.802SS**  trans-159.1164.4155.9-76.50000107.1
248V34.8Very low38.2Very low138 Ų138137.7 Ų137.784%0.83680%0.803SS**  trans90.8135-167.9178.50000113.2
249L35.1Very low39Very low160 Ų160138.9 Ų138.984%0.83881%0.809SS**  cis-167.1152.8-25.8-105.7178.8000106.1
250S31.9Very low38.1Very low125 Ų125134.3 Ų134.387%0.87481%0.805SS**  trans-160.9156.1147.8-166.50000108.6
251G31.8Very low37.3Very low60 Ų60135.4 Ų135.462%0.61980%0.804SS**  trans-161.9153.6-174.900000116.7
252V36.1Very low37.1Very low135 Ų135131.5 Ų131.582%0.81880%0.796SS**  trans49.5114.9143.7-173.70000117.5
253P41.4Very low36.8Very low127 Ų127135.9 Ų135.983%0.82580%0.796SS**  -132.2159104.138.4-32.2000114.7
254P52Low36.5Very low103 Ų103135.9 Ų135.967%0.66979%0.791SS**  trans-108.3171.8175.340.5-33.5000115
255D32.8Very low36.2Very low147 Ų147131.6 Ų131.679%0.78678%0.776SS**  trans55.9118161.7-67-7.7000121.5
256R31.7Very low35.9Very low241 Ų241132.1 Ų132.191%0.90977%0.774SS**  -174.4155.2104.9-98.5168-175.2-1710.3115.1
257L35.5Very low35.4Very low154 Ų154131.4 Ų131.481%0.80677%0.772SS**  trans-39.4149.1173-59.3152.2000114.7
258D34Very low35.2Very low149 Ų149133.1 Ų133.180%0.79777%0.772SS**  -165.2179.565.6-106.1-29.3000113.3
259P52.6Low35.1Very low122 Ų122133.4 Ų133.479%0.79277%0.769SS**  trans-112.8171.4-16442.1-36.5000117.4
260G29.5Very low34.9Very low66 Ų66130.3 Ų130.368%0.6876%0.76SS**  trans162.5122.9154.900000118.1
261L35Very low34.9Very low142 Ų142135.2 Ų135.274%0.74376%0.76SS**  trans60127143-47.7-175.1000119.7
262E31.7Very low34.8Very low164 Ų164136 Ų13677%0.76676%0.761SS**  77144.7100.8-69.7170.7-172.800114.4
263E36Very low34.5Very low168 Ų168135.7 Ų135.779%0.78576%0.759SS**  cis-159.1175-20.4-149.7-178.1-158.400107.6
264E32.9Very low34.1Very low178 Ų178133.9 Ų133.983%0.83276%0.755SS**  trans62.6165.7166.1-62.1-94.389.300116.6
265G30.7Very low33.2Very low55 Ų55137 Ų13757%0.56776%0.76SS**  cis-168.1139.6-7.600000112.7
266S30.9Very low33.1Very low103 Ų103136.4 Ų136.472%0.7275%0.754SS**  trans21.8131.3153.462.40000123.3
267S32.8Very low33.2Very low106 Ų106132 Ų13274%0.74175%0.749SS**  trans72.3157.9130.780.70000118.9
268D30.5Very low33Very low152 Ų152127.9 Ų127.981%0.81374%0.743SS**  cis-156.8-172.3-0.7-142.9-33.2000111.9
269L32.3Very low32.9Very low145 Ų145129.2 Ų129.276%0.75975%0.75SS**  trans94.893.5148.6-150.470.2000118.4
270S31.8Very low31.8Very low95 Ų95129.1 Ų129.166%0.66475%0.752SS**  trans-12.1154142.2680000117.7
271R30.8Very low31.9Very low227 Ų227134.2 Ų134.286%0.85776%0.762SS**  176.9135.668.3160.1177.7159.5157.2-4.3113.2
272A29.3Very low32Very low78 Ų78133.9 Ų133.965%0.64577%0.766SS**  trans65.1157.115400000118.3
273T29.6Very low31.9Very low128 Ų128129.3 Ų129.379%0.78576%0.762SS**  cis-167.9148.1-16.122.90000108.6
274A33.7Very low31.6Very low89 Ų89129.1 Ų129.174%0.73677%0.766SS**  trans65157.715400000116.7
275E32.3Very low31.7Very low168 Ų168127 Ų12779%0.78577%0.765SS**  cis-157.5-179.8-9.8-133.7172.9-144.600110.7
276M30.8Very low31.9Very low134 Ų134132.6 Ų132.666%0.6678%0.776SS**  trans72.2100.1155.7-145.466.76200119.5
277N33.9Very low31.9Very low150 Ų150135.8 Ų135.880%0.80279%0.785SS**  18.4132.7129.6-46.7-39000118.4
278G31Very low31.8Very low66 Ų66141 Ų14168%0.6879%0.789SS**  cis149.1174.6800000110.9
279L33.4Very low32Very low178 Ų178141.4 Ų141.493%0.93279%0.79SS**  trans72.2110.3-175.4-53.1175.5000115.6
280S29.4Very low32Very low120 Ų120140.3 Ų140.384%0.83980%0.795SS**  trans-120.4137.3162.6-55.30000108.8
281I31.7Very low32.1Very low172 Ų172146.3 Ų146.388%0.88280%0.803SS**  trans-110.5114.5179.8-61.3178.3000109.9
282T35.5Very low32.5Very low136 Ų136146.7 Ų146.783%0.83480%0.804SS**  trans-129.6146.8167.853.40000108.3
283G29.6Very low32.9Very low67 Ų67151.2 Ų151.269%0.69181%0.811SS**  cis145.21070.600000109.7
284L31Very low33Very low164 Ų164150.8 Ų150.886%0.85981%0.814SS**  trans63.8159.3-168.6-91.871.2000113
285V34.7Very low33.3Very low135 Ų135153 Ų15382%0.81881%0.812SS**  cis-134.5146.838.7161.20000113
286Q34.6Very low33.3Very low172 Ų172154.1 Ų154.180%0.80482%0.817SS**  trans-75.2150.3169.2-65179.1-24.400111.4
287N30.7Very low33.5Very low169 Ų169152.8 Ų152.890%0.90482%0.817SS**  trans-137.9147.5158.9-139-15.7000112.5
288R31.2Very low33.4Very low216 Ų216154.8 Ų154.882%0.81582%0.821SS**  trans-106.8142.1-170.7-88.3-177167-167.2-2.2112.4
289L35.4Very low33.4Very low161 Ų161158.8 Ų158.884%0.84383%0.826SS**  trans31.5119.4141.5-59.1172.2000118.7
290S31.3Very low34.3Very low122 Ų122155.3 Ų155.385%0.85382%0.815SS**  trans-143.8157.7136.4-163.10000111.4
291R33.6Very low34.3Very low220 Ų220155.7 Ų155.783%0.8382%0.816SS**  trans-129.7122.9-174.7177.6-164.6-67.4-167.9-1.6108.4
292R40.6Very low34.4Very low236 Ų236152.7 Ų152.789%0.89181%0.81SS**  trans-138.1153.5165-75.3-163.2172.4-140.6-1.7111.2
293H36.8Very low34.9Very low172 Ų172151.7 Ų151.780%0.79681%0.806SS**  trans-95.4151.8173.5-46.5-79.6000109.3
294S31.1Very low35.2Very low119 Ų119157.9 Ų157.983%0.83281%0.814SS**  -157.9164.4114.7-154.80000110.6
295I41.5Very low35.9Very low135 Ų135155.3 Ų155.369%0.69281%0.807SS**  trans-106.3147.3165.8177.9165.1000107.8T297I295-T297 HydrophobicContact CG1-CG2 4.48Å
296E32.4Very low35.8Very low193 Ų193156 Ų15690%0.90280%0.804SS**  trans-157.5156.5145.4-120.7155.1-165.900110.5
297T33.3Very low35.5Very low106 Ų106154.9 Ų154.965%0.6580%0.804SS**  trans-135.7138.2-168.8500000109.6I295I295-T297 HydrophobicContact CG1-CG2 4.48Å
298H32Very low35.5Very low192 Ų192158.7 Ų158.789%0.88981%0.806SS**  trans-170.8121.8143.5-104.6-65.7000113.1
299D31Very low35.4Very low149 Ų149153.9 Ų153.980%0.79781%0.805SS**  trans-92.4177.6153.3-95.3-51.4000108.8
300P52.5Low35.1Very low106 Ų106151.9 Ų151.969%0.68880%0.804SS**  cis-131.7173.3-1.938.7-22.6000115.3
301C30.1Very low35Very low128 Ų128150.5 Ų150.587%0.86579%0.794SS**  171.4154.9120.7-96.90000114.8
302S33.3Very low34.9Very low109 Ų109148 Ų14876%0.76279%0.792SS**  trans-113.5-173.7179.166.40000110.1
303P45.5Very low34.3Very low114 Ų114143.6 Ų143.674%0.7479%0.786SS**  cis-138.5-168.57.343.4-23.8000116.4
304K37.7Very low33.9Very low197 Ų197140.1 Ų140.186%0.85778%0.78SS**  trans-105.2153.7160.9-61.1178.8179.2179.90109.6
305P43.7Very low33.7Very low111 Ų111141.4 Ų141.472%0.72178%0.783SS**  -148.5141.1106.438.4-21.2000114
306I32.7Very low33.2Very low148 Ų148138.2 Ų138.276%0.75978%0.783SS**  88.1137.488.1-64.6169.4000115.9
307D28.4Very low33.2Very low150 Ų150137.3 Ų137.380%0.80278%0.783SS**  trans64.5123.7161.3-68.3-12.8000126
308R31.3Very low33Very low248 Ų248137.8 Ų137.894%0.93679%0.791SS**  trans159.8156.1135.3-90.2172.9175.7-169.3-1.5109.3
309S30.2Very low32.9Very low115 Ų115132.6 Ų132.680%0.80478%0.782SS**  cis-170.6170.9-23.3-171.10000107.3
310C28.8Very low33Very low120 Ų120131.9 Ų131.981%0.81178%0.783SS**  trans-89.4-170.1-169.5-55.40000116.6
311S28.1Very low32.1Very low92 Ų92131.6 Ų131.664%0.64378%0.783SS**  trans90.2122.7176.8-63.50000115.6
312E30.9Very low32Very low168 Ų168137.2 Ų137.279%0.78579%0.786SS**  76.2135.165.2-64157.6140.600111.6
313D28.8Very low32.1Very low143 Ų143135.9 Ų135.977%0.76578%0.782SS**  cis-154.9-174.85.7-144.1-19.8000114.7
314C27.9Very low31.5Very low100 Ų100136.2 Ų136.268%0.67678%0.777SS**  trans-51.6167.9-166.1-69.60000123.4
315T28Very low31.4Very low146 Ų146133.9 Ų133.990%0.89677%0.767SS**  trans86.6140.1159.773.50000119.1
316G29.8Very low30.9Very low67 Ų67134.7 Ų134.769%0.69177%0.77SS**  cis172.4175-9.400000115.4
317L32.6Very low31Very low174 Ų174133.9 Ų133.991%0.91176%0.763SS**  trans71.9124.1167.2-52.4178.5000117
318S30.3Very low31.3Very low117 Ų117132.7 Ų132.782%0.81875%0.753SS**  86.8133.967.1-162.90000112.7
319A29.7Very low31.3Very low83 Ų83127.5 Ų127.569%0.68674%0.738SS**  cis-140.8179.2-1.500000108.5
320T32.2Very low31.4Very low134 Ų134128.8 Ų128.882%0.82273%0.732SS**  cis-164.3158.549.445.20000109
321S34.7Very low31.5Very low100 Ų100130.1 Ų130.170%0.69973%0.729SS**  cis104.997.617.6178.70000116.1
322W27.4Very low31.7Very low246 Ų246132.8 Ų132.893%0.93274%0.735SS**  trans-152.5120.5139.7-76.492.4000105.4
323A34.9Very low31.6Very low80 Ų80135.1 Ų135.166%0.66174%0.739SS**  55.7130.580.700000112.6
324D32.5Very low31.5Very low121 Ų121139.2 Ų139.265%0.64774%0.744SS**  cis-157.4166.811.4-126-27.3000107.2
325K35.7Very low31.5Very low148 Ų148146 Ų14664%0.64376%0.755SS**  cis-151.8-166.42.1-145.6140.1-147.1149.40105.7
326V33.8Very low31.6Very low128 Ų128146.4 Ų146.478%0.77675%0.752SS**  cis-142.2163.716.8179.50000110.2
327Q35.4Very low31.7Very low131 Ų131149.8 Ų149.861%0.61276%0.759SS**  trans-57.7168.9174.7-78.791.1-21.200118.3
328Q35.2Very low31.7Very low126 Ų126145.8 Ų145.859%0.58975%0.751SS**  cis175.5133.6-25.7-154165.2-5.400106.2
329H30.2Very low32.3Very low138 Ų138145.5 Ų145.564%0.63975%0.747SS**  -175.6132.378-88.9-86.8000107.5
330Q33.1Very low32.2Very low142 Ų142149.9 Ų149.966%0.66475%0.753SS**  68.614285.4-68.2-175.8-2300115.5
331I31.3Very low32.5Very low149 Ų149148.8 Ų148.876%0.76475%0.748SS**  cis-155.3-178.9-5.1-122165000112
332L31.9Very low32.4Very low147 Ų147152.1 Ų152.177%0.7775%0.752SS**  trans-104.2144-163.6-66.2166.1000117.2
333Y28.4Very low32.5Very low217 Ų217148.6 Ų148.685%0.85175%0.746SS**  trans67.4149.5139.4-92.8-94.3000125.7
334R27.3Very low32.4Very low230 Ų230152.9 Ų152.987%0.86876%0.758SS**  trans64.2108.3160.7-70.3-165.5-175.6-160.43.9120.5
335R27.6Very low32.5Very low241 Ų241151.8 Ų151.891%0.90977%0.766SS**  -161.1152.3115.5-116.4178.8175.196.2-4112.1
336N29.8Very low32.4Very low156 Ų156148.7 Ų148.783%0.83478%0.776SS**  trans-88.9134.7165.1-64.7-8.2000108.8
337T31.7Very low32.4Very low138 Ų138146.3 Ų146.385%0.84778%0.777SS**  trans178.6131.7145.330.20000110
338A33.1Very low32.9Very low90 Ų90146.6 Ų146.674%0.74479%0.79SS**  trans-90158.9144.300000107.2
339P42Very low33Very low111 Ų111144.7 Ų144.772%0.72181%0.805SS**  -151.7-17867.444-25.3000116.7
340E28.6Very low33.2Very low175 Ų175141.4 Ų141.482%0.81881%0.808SS**  trans63.9150.4160.3-69-54.492.300121.5
341P38.7Very low33.5Very low110 Ų110142.6 Ų142.671%0.71482%0.817SS**  trans-98.8168.3-17740-35.3000113.3
342Q31.4Very low33.7Very low171 Ų171146.1 Ų146.180%0.79982%0.821SS**  trans-120.2124.4162.7-169167.511.500112.4
343E29.1Very low33.9Very low171 Ų171146 Ų14680%0.79982%0.82SS**  trans-1.4125.4154.5-54169.8127.800118.3
344N34.4Very low34.3Very low171 Ų171143 Ų14391%0.91482%0.818SS**  trans-147.5157.9138.8-147.6-20.8000110.6
345A33.1Very low34.7Very low97 Ų97138.2 Ų138.280%0.80282%0.815SS**  trans-101.1157.1-155.100000116
346G33.5Very low35Very low83 Ų83135.3 Ų135.386%0.85681%0.811SS**  trans144120.2152.700000117
347G35.5Very low35.9Very low78 Ų78133 Ų13380%0.80480%0.804SS**  trans107.4118.5159.900000116.8
348P44.9Very low36.1Very low137 Ų137135.3 Ų135.389%0.8980%0.803SS**  trans-103.2149.4179.737.2-32.5000115.2
349G36.8Very low36.2Very low87 Ų87138.5 Ų138.590%0.89781%0.807SS**  trans108.1130.416400000115.2
350G34.8Very low35.6Very low69 Ų69138.4 Ų138.471%0.71181%0.809SS**  cis174.6174.6-7.800000113.9
351I39.1Very low35.8Very low166 Ų166140.5 Ų140.585%0.85181%0.809SS**  trans72.4107.8165.1-42178.4000118.4
352R36.9Very low35.4Very low223 Ų223141.8 Ų141.884%0.84281%0.807SS**  trans4.6144.9144.9-48.8178.6177.9-170.1-2.4118.6
353L34.8Very low35.6Very low145 Ų145140.3 Ų140.376%0.75980%0.8SS**  cis-151.6142.746.7-74161.2000110.5
354L36.8Very low36.3Very low153 Ų153140.1 Ų140.180%0.80180%0.799SS**  46.9127.988.3-70.4168.1000114.1
355V37.1Very low36.2Very low131 Ų131141.8 Ų141.879%0.79479%0.794SS**  cis-148.8151.542.8169.90000113.9
356H33.9Very low36.5Very low179 Ų179144.1 Ų144.183%0.82979%0.788SS**  trans-115.7166.3164.9-82.2-49.6000108.9
357P48.3Very low36.5Very low108 Ų108145.9 Ų145.970%0.70179%0.787SS**  cis-154.117936.744.1-21.8000120
358K35.6Very low36.4Very low186 Ų186149.1 Ų149.181%0.80979%0.786SS**  trans11.3151.9134.4-46.7171.2-177.4177.30119
359L35.9Very low35.9Very low158 Ų158148.2 Ų148.283%0.82778%0.778SS**  cis-150.2153.539.7-71159.5000109.5
360S29.4Very low36.1Very low109 Ų109151.8 Ų151.876%0.76277%0.771SS**  cis86.8143.538.6-1680000115.6
361R32Very low35.9Very low219 Ų219156.5 Ų156.583%0.82678%0.779SS**  trans89.9131.9174.3-150.3166.2-174.2137.410.7115
362M30.7Very low35.5Very low137 Ų137154 Ų15468%0.67578%0.775SS**  cis-176.1148.2-5-15959.113800113.4
363E34.3Very low35.9Very low140 Ų140148.8 Ų148.865%0.65477%0.77SS**  trans32.2118149.6-55.7-49.495.600121.3
364H43.9Very low35.6Very low166 Ų166150.4 Ų150.477%0.76977%0.774SS**  79.7114.574.8-88.2-83.9000116.8
365Y32.8Very low35.3Very low206 Ų206148.3 Ų148.381%0.80877%0.772SS**  trans-161.2168.6136.5-140.5-99.7000114.3
366E40.3Very low35.1Very low146 Ų146149.5 Ų149.568%0.68277%0.773SS**  trans-96.7167.7-170-49.1168.2112.300114.5
367S32.6Very low35.2Very low121 Ų121147.2 Ų147.285%0.84677%0.774SS**  173.9155122.9-75.20000113.3
368D34.5Very low34.3Very low146 Ų146145.9 Ų145.978%0.78178%0.779SS**  trans-136.5148.6-178.3-161.9-4.3000109.5
369T34.3Very low33.9Very low117 Ų117142.9 Ų142.972%0.71878%0.782SS**  trans-179.9104.2159.637.30000115.6
370H39.3Very low34.6Very low162 Ų162140.1 Ų140.175%0.7577%0.773SS**  63140.4124.3-52.1-35.4000126.3
371L31Very low34.5Very low168 Ų168141.9 Ų141.988%0.8877%0.774SS**  trans97.7157.1145.2-77.5161.7000122.9
372C31.1Very low34.5Very low114 Ų114137 Ų13777%0.7777%0.774SS**  trans-121.3-167.4-164.6-52.30000109.9
373P46.3Very low34.5Very low113 Ų113133.5 Ų133.573%0.73477%0.772SS**  cis-148.1167.313.346.4-25.7000120.5
374E28.2Very low34.5Very low180 Ų180138.3 Ų138.384%0.84179%0.785SS**  trans32.9122.2130.2-162.2164.9-145.500123.3
375S30.1Very low34Very low109 Ų109136.9 Ų136.976%0.76279%0.787SS**  169138.8126-79.30000117.4
376I32.2Very low33.9Very low156 Ų156131.9 Ų131.980%0.878%0.782SS**  trans14.4133.2148.4-51.7176.6000120.7
377P37.3Very low33.6Very low131 Ų131131.9 Ų131.985%0.85179%0.792SS**  trans-85.4143.817234.9-34.6000114.8
378G28.6Very low33.6Very low80 Ų80134.6 Ų134.683%0.82579%0.791SS**  trans-149.8151.9174.900000113.6
379S28.3Very low33.5Very low123 Ų123137.5 Ų137.586%0.8679%0.791SS**  trans-85.3174.7178.2-135.10000111.2
380P50.2Low33.3Very low100 Ų100140.6 Ų140.665%0.64979%0.79SS**  cis-140.8-150.910.743.8-22.5000115.2
381D26.6Very low33Very low146 Ų146141.3 Ų141.378%0.78179%0.786SS**  trans78.3144.9162.7-73-14.8000119.9
382S33.3Very low33Very low117 Ų117142 Ų14282%0.81878%0.778SS**  cis-167.3151.7-22.9-171.80000110
383G30.2Very low32.9Very low62 Ų62143.7 Ų143.764%0.63978%0.78SS**  trans148.8107.6158.500000119
384R34.1Very low32.3Very low242 Ų242143 Ų14391%0.91378%0.783SS**  trans70.8101.5155.7-52-178.6-170.2-119.5-2.3115.9
385V32.7Very low32.6Very low135 Ų135139.9 Ų139.982%0.81878%0.781SS**  cis66.9128.749.7-175.10000112.2
386S30.9Very low33.2Very low101 Ų101140.2 Ų140.271%0.70678%0.781SS**  cis-172.8168.8-17.3-92.90000107.6
387V33.6Very low33.2Very low147 Ų147140.2 Ų140.289%0.89178%0.782SS**  175.9130.2123.5149.40000110.5
388E32.3Very low32.9Very low178 Ų178138.1 Ų138.183%0.83277%0.77SS**  trans-122.2140.4163.6-179.1-167.1171.100107.4
389R33.4Very low33.1Very low206 Ų206141.9 Ų141.978%0.77777%0.77SS**  trans-175.7134.4146.8-105.2166.5-175176.84.4115.2
390R31Very low33.2Very low182 Ų182143.1 Ų143.169%0.68777%0.772SS**  trans82.6109.9135.2-77.8176.4-175.5-173.92.3122
391R32.9Very low32.2Very low177 Ų177143.8 Ų143.867%0.66878%0.775SS**  92.9120.6115.4-67.6-101.3-173.7115.4-5.7118.8
392Y30Very low32.6Very low183 Ų183142.6 Ų142.672%0.71878%0.778SS**  trans59.3124.2139.6-61.6-33.2000117.5
393N29.5Very low32.5Very low150 Ų150142.8 Ų142.880%0.80278%0.779SS**  cis-163.517544.8-101.1-37.5000113.4
394A32.1Very low32.5Very low97 Ų97145.1 Ų145.180%0.80279%0.786SS**  trans58.7114.6154.600000119.9
395S34.7Very low32.8Very low115 Ų115143.1 Ų143.180%0.80478%0.778SS**  trans-91.4158.7142.858.10000109.2
396P44Very low32.8Very low117 Ų117143.4 Ų143.476%0.7677%0.771SS**  -147.1172.896.940-24.6000116.4
397L31.7Very low32.9Very low156 Ų156143 Ų14382%0.81777%0.768SS**  trans-13159141.7-57.6172.2000117.7
398S31.5Very low32.9Very low86 Ų86142.6 Ų142.660%0.60176%0.76SS**  cis177.3153.6-16.756.90000109.2
399L32.9Very low33Very low159 Ų159141.6 Ų141.683%0.83276%0.755SS**  trans55.3126160-61.9171.6000118.5
400V29Very low33Very low149 Ų149137.4 Ų137.490%0.90375%0.748SS**  trans-108.2123.3154.9175.80000108.1
401T30.2Very low33.6Very low115 Ų115135.8 Ų135.871%0.70675%0.752SS**  trans-92.8161.3174.344.80000112
402S34.9Very low34.4Very low120 Ų120131.8 Ų131.884%0.83975%0.749SS**  trans-37.4142167.351.80000115.3
403S31.5Very low34.6Very low122 Ų122130.2 Ų130.285%0.85375%0.753SS**  trans-120.3122.2165.955.10000112.4
404S29.7Very low34.9Very low111 Ų111127.8 Ų127.878%0.77675%0.748SS**  trans-155.1124.3142.4-163.80000109.1
405R39.5Very low35Very low200 Ų200129.6 Ų129.676%0.75575%0.748SS**  trans4.5147.8151.5-65.4177.1162.9-116.33.1119.2
406E33.8Very low35Very low141 Ų141129.3 Ų129.366%0.65975%0.746SS**  cis-172.3166.21.4-111.6155.217700107.2
407S31.8Very low36Very low92 Ų92128.9 Ų128.964%0.64374%0.744SS**  cis-162.5-179.8-0.8600000111.9
408L33.9Very low36.2Very low139 Ų139128.3 Ų128.373%0.72874%0.74SS**  trans62.8112.6152.4-67.6165.7000123.5
409E35.8Very low36.5Very low156 Ų156129.9 Ų129.973%0.72975%0.746SS**  85.6135127.5-79.2-178.9-158.900126.3
410N32.8Very low36.7Very low118 Ų118128.1 Ų128.163%0.63174%0.741SS**  trans78.584.4149.3-58.5-28000123.7
411I42.8Very low36.8Very low148 Ų148132.4 Ų132.476%0.75974%0.742SS**  47.3133.4103.9-59.4164.7000118.8
412P50.8Low37Very low93 Ų93138.1 Ų138.160%0.60475%0.75SS**  cis-145.4-166.4-27.642-20.9000114.7
413N34.2Very low37.1Very low150 Ų150143.5 Ų143.580%0.80275%0.752SS**  trans69.4148.7149.3-72.8-11000120.4
414S35Very low38.2Very low100 Ų100143.1 Ų143.170%0.69975%0.747SS**  cis-163.3175.1-4.748.10000113.4
415V34.2Very low39Very low134 Ų134144.1 Ų144.181%0.81275%0.751SS**  trans74.9118.4162.7-166.90000119.7
416S34.8Very low38.6Very low109 Ų109138 Ų13876%0.76275%0.75SS**  trans-129.6-170.4154.1-45.50000106.8
417P65.8Low38.7Very low109 Ų109139.2 Ų139.271%0.70876%0.76SS**  cis-132-160.1-11.339.2-19.5000112
418I34.9Very low39Very low143 Ų143141.1 Ų141.173%0.73376%0.762SS**  171.4115.1125.9-88.2161.5000113.8
419T38.4Very low39.6Very low119 Ų119141.9 Ų141.973%0.7376%0.762SS**  trans23.6158.7132.994.80000122.7
420V37.8Very low39.8Very low122 Ų122146.4 Ų146.474%0.73977%0.772SS**  cis-167.41617.391.10000115.7
421R30.9Very low40.3Very low240 Ų240152 Ų15291%0.90678%0.784SS**  trans82157.3154.7-84.6178.5177.4-165.1-0.6124.4
422R34.6Very low40Very low235 Ų235148.4 Ų148.489%0.88778%0.784SS**  trans-92.6161.1-173.1-52.5169.7179174-2.6111
423R35.6Very low39.6Very low233 Ų233149.5 Ų149.588%0.87979%0.794SS**  -167.7167.862.8-101.2-168.7175.2118.5-7.7113.2
424P54.5Low39.7Very low114 Ų114146.1 Ų146.174%0.7479%0.794SS**  trans-83.8177.1174.540.1-39.3000112.4
425P47Very low40Very low132 Ų132147.3 Ų147.386%0.85780%0.798SS**  cis-148.9-177.137.744.8-24.2000119.3
426G31.7Very low40.4Very low71 Ų71149.1 Ų149.173%0.73280%0.799SS**  trans139.2119.5148.200000119.9
427L35.7Very low40.5Very low167 Ų167150.7 Ų150.787%0.87480%0.799SS**  trans65165.4142.4-118.667.7000123.4
428L38.8Very low39.3Very low131 Ų131153 Ų15369%0.68680%0.804SS**  trans78.3112.1169.1-91.570.4000122.2
429E45.7Very low39.3Very low155 Ų155152.2 Ų152.272%0.72480%0.801SS**  trans72.5115.4130.6-71.9178.6170.200123.2R431E429-R431 PolarHBondContact O-N 2.71Å
430R39.4Very low39.6Very low252 Ų252155.7 Ų155.795%0.95181%0.809SS**PPolyproline II helixtrans-49.6127.8146.8-74.5172.2153.4-153-3.9110.5
431R44Very low39.8Very low235 Ų235156.7 Ų156.789%0.88781%0.808SS**PPolyproline II helixtrans-100.8130.9153.6-72.5-168172.1-163-2.7110.2E429E429-R431 PolarHBondContact O-N 2.71Å
432G37.2Very low40.1Very low73 Ų73149.8 Ų149.875%0.75380%0.797SS**PPolyproline II helixtrans-78.3165.4179.200000113.2G434G432-G434 PolarHBondContact O-N 3.33Å
433S41.1Very low40.6Very low115 Ų115147.7 Ų147.780%0.80480%0.797SS**PPolyproline II helixtrans-49.4124.1170.848.90000113.3
434G37.4Very low40.8Very low79 Ų79142.5 Ų142.581%0.81479%0.792SS**PPolyproline II helixtrans-78.2125.6162.600000110.1G432G432-G434 PolarHBondContact O-N 3.33Å
435T40.5Very low40.2Very low126 Ų126147.4 Ų147.477%0.77380%0.795SS**PPolyproline II helixtrans-91.2136.3178450000111.3
436M42.7Very low39.9Very low172 Ų172147.5 Ų147.585%0.84780%0.796SS**PPolyproline II helixtrans-86.7131.1168.9-73-100.26200109.9
437L36.5Very low40.8Very low142 Ų142147.7 Ų147.774%0.74380%0.798SS**PPolyproline II helixtrans-86.5119.2169.2-81.4159.2000109.6
438L40.4Very low41.6Very low156 Ų156148.7 Ų148.782%0.81780%0.795SS**  trans-10992.1159.3-101.474.1000107.9H440L438-H440 PolarHBondContact O-N 2.95Å
439D35Very low42.3Very low128 Ų128150.4 Ų150.468%0.68480%0.804SS**  trans-9966.9-167.9-147.50.5000111.9
440H45.2Very low42.6Very low191 Ų191147.8 Ų147.888%0.88480%0.801SS**  trans-130.748177.4-75.6-9.1000111.7L438L438-H440 PolarHBondContact O-N 2.95Å
441I41Very low43.3Very low143 Ų143141.9 Ų141.973%0.73380%0.795SS**  trans-95.8107.5172.2-57.7180000109.3
442S38.6Very low43.5Very low96 Ų96137.9 Ų137.967%0.67179%0.791SS**  trans-63.3133.8176.244.90000111.5T444S442-T444 PolarHBondContact O-N 3.07Å; S442-T444 VanDerWaalsContact O-N 3.09Å
443H44.4Very low43.8Very low191 Ų191141.8 Ų141.888%0.88479%0.794SS**  trans-74100.7179.3-65.84.3000110.7
444T40.5Very low44Very low124 Ų124143 Ų14376%0.76179%0.79SS**PPolyproline II helixtrans-76.212417145.70000110.5S442S442-T444 PolarHBondContact O-N 3.07Å; S442-T444 VanDerWaalsContact O-N 3.09Å
445R42.1Very low44.1Very low217 Ų217145.6 Ų145.682%0.81979%0.785SS**PPolyproline II helixtrans-77.6147.2163.8-71-174.1175.5-160.4-0.4109.1G447R445-G447 PolarHBondContact O-N 3.31Å
446P40.9Very low44.4Very low134 Ų134144.8 Ų144.887%0.8778%0.782SS**THydrogen-bonded Turntrans-56.6131.7167-21.532.9000110.5
447G50.1Low44.3Very low75 Ų75144.8 Ų144.877%0.77378%0.78SS**THydrogen-bonded Turntrans107.5-0169.400000118.1R445R445-G447 PolarHBondContact O-N 3.31Å
448F51.2Low44.5Very low188 Ų188149.3 Ų149.383%0.82579%0.787SS**  trans-131.2127.1175.9-77.5-89.9000113.1
449L53.7Low44.6Very low166 Ų166147.7 Ų147.787%0.86979%0.786SS**PPolyproline II helixtrans-81.3146.5168-89133.5000110.8
450P52.4Low45.1Very low101 Ų101148.3 Ų148.366%0.65679%0.788SS**PPolyproline II helixtrans-67.2149.9169.829.8-35000111.3L452P450-L452 PolarHBondContact O-N 2.92Å
451P53.5Low45.1Very low128 Ų128145 Ų14583%0.83178%0.783SS**PPolyproline II helixtrans-68.3129.7-177.227.5-34.4000112N453P451-N453 PolarHBondContact O-N 3.3Å
452L49.3Very low44.6Very low151 Ų151145.4 Ų145.479%0.79179%0.787SS**PPolyproline II helixtrans-72.8121.1171.1-66.1175.9000109.7P450 I454P450-L452 PolarHBondContact O-N 2.92Å; L452-I454 HydrophobicContact CB-CG1 4.46Å; L452-I454 PolarHBondContact O-N 3.09Å
453N44.5Very low44.7Very low154 Ų154148.9 Ų148.982%0.82480%0.796SS**  trans-81.284.5-176.5-153.818.7000110.7P451 N455P451-N453 PolarHBondContact O-N 3.3Å; N453-N455 PolarHBondContact O-N 3.31Å
454I44.2Very low44.1Very low141 Ų141151.1 Ų151.172%0.72380%0.797SS**  trans-78.797.9-175.2-62.1167.1000110L452 P456L452-I454 HydrophobicContact CB-CG1 4.46Å; L452-I454 PolarHBondContact O-N 3.09Å; I454-P456 WeakPolarHBondContact O-CD 3.1Å
455N39.3Very low43.8Very low133 Ų133149 Ų14971%0.71179%0.792SS**  trans-72.1118.1168.2-84.1-30.4000110.4N453 H457N453-N455 PolarHBondContact O-N 3.31Å; N455-H457 VanDerWaalsContact C-N 3.28Å; N455-H457 PolarHBondContact O-N 3.34Å
456P48Very low43.5Very low110 Ų110147 Ų14771%0.71480%0.797SS**  trans-86.823.2-170.336-37.3000114.7I454I454-P456 WeakPolarHBondContact O-CD 3.1Å
457H38.9Very low43.3Very low171 Ų171144.2 Ų144.279%0.79279%0.793SS**  trans-134.2117.4177.5-70.4-68.6000112.3N455N455-H457 VanDerWaalsContact C-N 3.28Å; N455-H457 PolarHBondContact O-N 3.34Å
458R42Very low42.7Very low238 Ų238150.7 Ų150.790%0.89880%0.8SS**  trans-113.3127.1158.9-62.5-173.5-169.2-177.44.4108.6
459P43.1Very low42.4Very low121 Ų121147.4 Ų147.479%0.78680%0.797SS**  trans-75.4143.615831.7-31.2000109.9
460I44.1Very low41.5Very low142 Ų142146.6 Ų146.673%0.72880%0.799SS**  trans-93.2133.3172.2-61.3165.8000108
461P44.9Very low40.8Very low120 Ų120147.4 Ų147.478%0.77981%0.807SS**  trans-101.1115.916633.3-25.4000111.3
462D31.6Very low40.6Very low153 Ų153146.8 Ų146.882%0.81880%0.803SS**  trans-79.1165.3174.7-78-57.9000113.5
463I40Very low39.7Very low169 Ų169146.9 Ų146.987%0.86780%0.803SS**  trans-92.8110.8-171.2-57.5165.8000111.9
464R31.7Very low39.2Very low238 Ų238147.9 Ų147.990%0.89880%0.802SS**  trans-166.7122.8140.2-124.6176.9172.1169.4-2.6117.8
465A34.8Very low38.7Very low79 Ų79146.6 Ų146.665%0.65381%0.806SS**  trans45.9139.2137.200000124.9
466N35.8Very low38.4Very low175 Ų175143.5 Ų143.594%0.93681%0.805SS**  trans72.6142.6154.6-65.8-8.6000119.8
467G35.7Very low38.1Very low75 Ų75147.4 Ų147.477%0.77381%0.813SS**  trans-174.8-77.5179.300000116.8
468K37.3Very low38.2Very low212 Ų212149.3 Ų149.392%0.92282%0.82SS**  trans67.3160.5-162.3-77.7-176.6176.91790114.5
469P45.7Very low37.9Very low118 Ų118145.4 Ų145.477%0.76682%0.815SS**  trans-110.1160.6-160.740.2-33.2000115.8
470T34.8Very low37.7Very low149 Ų149148 Ų14891%0.91482%0.821SS**  trans-135.1167.716251.10000110.4
471S37.2Very low37.4Very low118 Ų118147 Ų14783%0.82582%0.821SS**  trans-136.6-175.6-163.2810000111.9
472P49.9Very low37.2Very low115 Ų115147.2 Ų147.275%0.74782%0.823SS**  trans-113174.4-134.543.7-37.7000116.3
473I30.1Very low37.2Very low154 Ų154147.9 Ų147.979%0.7983%0.825SS**  trans-164.3139.7161.6-113154.3000113.7
474H35.2Very low36.9Very low175 Ų175144 Ų14481%0.8182%0.817SS**  trans57.3160.2164.5-80.657.2000118.7
475S33.7Very low37.3Very low113 Ų113138 Ų13879%0.7981%0.809SS**  cis-166.7174.8-27.160.70000107.2
476G32.2Very low37.2Very low68 Ų68142.1 Ų142.170%0.70182%0.819SS**  cis-179.2163.4-2.400000110.2
477H40.7Very low37.2Very low192 Ų192138.8 Ų138.889%0.88981%0.809SS**  trans-85.9147-171.1-60.5-86.8000115
478K42.9Very low37.7Very low212 Ų212140.6 Ų140.692%0.92281%0.807SS**  trans-139144.3155.3-71.3-167.5177.6-178.90111.3
479I34.4Very low37.5Very low156 Ų156139.3 Ų139.380%0.880%0.802SS**  trans-105.7145.9-179.4-65.3163.2000108.4
480L38.7Very low36.8Very low174 Ų174145.6 Ų145.691%0.91181%0.81SS**  trans-122.2138.3172.7-79.2167.6000110.7
481V38.5Very low36.8Very low122 Ų122141.8 Ų141.874%0.73980%0.801SS**  trans-111.2137.2-178.8176.70000108.1
482P40Very low37Very low124 Ų124141.9 Ų141.981%0.80580%0.798SS**  trans-76.7152.6-17230.6-36.3000113.6
483I32Very low36.2Very low168 Ų168143.3 Ų143.386%0.86280%0.795SS**  trans-112.1135.7174.2-64.1172.7000108.9
484A33Very low36.8Very low86 Ų86145.7 Ų145.771%0.71180%0.8SS**  trans-110.5158.9163.400000107.5
485P41.1Very low37Very low113 Ų113145.3 Ų145.373%0.73480%0.796SS**  -153.2-158.561.933.9-7.9000115.5
486I31.6Very low37.6Very low165 Ų165148.5 Ų148.585%0.84680%0.801SS**  trans101133.5159.5-55.9164.7000116.5
487S36.5Very low38.1Very low105 Ų105155.1 Ų155.173%0.73481%0.81SS**  trans-137.3163.4172.965.70000109.9
488P46.9Very low38.7Very low113 Ų113155.7 Ų155.773%0.73481%0.81SS**  trans-147.7131.213732.8-14.7000117.3
489K32.6Very low39Very low185 Ų185154.8 Ų154.880%0.80481%0.806SS**  54.5124.5129.1-62.4176179.9172.20122.8
490R31.7Very low39.4Very low250 Ų250155.4 Ų155.494%0.94381%0.81SS**  trans69.4151.3150.4-60.5172.2178.5174.2-2.7116.2
491G32.9Very low39.8Very low70 Ų70154.7 Ų154.772%0.72280%0.804SS**  cis-148.6-1702.900000113.2
492P42.9Very low40.5Very low119 Ų119159.6 Ų159.677%0.77381%0.809SS**  trans-104.3159.3-161.539-35.3000116
493E33Very low41.1Very low146 Ų146165.4 Ų165.468%0.68282%0.815SS**  trans-156.9133.9161.2-112.9-83.2168.900109.9K495E493-K495 VanDerWaalsContact CD-NZ 3.29Å; E493-K495 IonicContact OE1-NZ 2.76Å; E493-K495 PolarHBondContact OE1-NZ 3.07Å; E493-K495 IonicContact OE2-NZ 2.69Å; E493-K495 PolarHBondContact OE2-NZ 3.49Å
494F41.3Very low42Very low204 Ų204164.5 Ų164.590%0.89581%0.807SS**  trans-107.8103.4-171.1-107.5-96.6000111.2
495K41.2Very low43.3Very low166 Ų166163.7 Ų163.772%0.72280%0.796SS**  trans-134.382.5174-67.7-166.7170.3840114.6E493E493-K495 VanDerWaalsContact CD-NZ 3.29Å; E493-K495 IonicContact OE1-NZ 2.76Å; E493-K495 PolarHBondContact OE1-NZ 3.07Å; E493-K495 IonicContact OE2-NZ 2.69Å; E493-K495 PolarHBondContact OE2-NZ 3.49Å
496M46.3Very low44.1Very low181 Ų181164 Ų16489%0.89279%0.79SS**  trans33.994.3143.7-57.4179.8-177.600118.7K498M496-K498 PolarHBondContact O-N 3.04Å; M496-K498 VanDerWaalsContact O-N 3.11Å
497K42.1Very low45.3Very low206 Ų206162.6 Ų162.690%0.89678%0.779SS**  trans-72.199.6166.7-73.5-175.7177.11790111.5K499K497-K499 PolarHBondContact O-N 3.5Å
498K52Low46.2Very low205 Ų205161.2 Ų161.289%0.89177%0.767SS**  trans-61.8113.9164.3-70.4-177.6177.6179.60109M496 L500M496-K498 PolarHBondContact O-N 3.04Å; M496-K498 VanDerWaalsContact O-N 3.11Å; K498-L500 PolarHBondContact O-N 3.01Å
499K50.5Low46.8Very low192 Ų192161.3 Ų161.384%0.83576%0.757SS**  trans-70.8115.8175.4-68.9-178.8-179.1176.80109.1K497 M501K497-K499 PolarHBondContact O-N 3.5Å; K499-M501 PolarHBondContact O-N 3.24Å; K499-M501 VanDerWaalsContact O-N 3.15Å
500L43.1Very low48Very low170 Ų170157.5 Ų157.589%0.8974%0.742SS**  trans-70.2107.3170-172.172.2000108.4K498 R502K498-L500 PolarHBondContact O-N 3.01Å; L500-R502 PolarHBondContact O-N 2.99Å
501M46.4Very low49.3Very low159 Ų159152 Ų15278%0.78373%0.729SS**  trans-65.2103.5177.3-74.9-65.6-73.500109.6K499 R503K499-M501 PolarHBondContact O-N 3.24Å; K499-M501 VanDerWaalsContact O-N 3.15Å; M501-R503 PolarHBondContact O-N 2.79Å
502R53.8Low50.5Low224 Ų224155.8 Ų155.885%0.84573%0.726SS**PPolyproline II helixtrans-64.7121.7172.5-152.1174.7-164.8167.93.5107.1L500 H504L500-R502 PolarHBondContact O-N 2.99Å; R502-H504 PolarHBondContact O-CD2 3.31Å; R502-H504 PolarHBondContact O-N 2.94Å
503R51.4Low51.3Low247 Ų247155.8 Ų155.893%0.93272%0.715SS**PPolyproline II helixtrans-56.1116.9177.7-72.4-177.5172.9-175.9-3.6108.6M501M501-R503 PolarHBondContact O-N 2.79Å
504H51.8Low52.4Low149 Ų149154.8 Ų154.869%0.6971%0.714SS**PPolyproline II helixtrans-70.7151.8179.5-88.6-104.9000110.6R502 M506R502-H504 PolarHBondContact O-CD2 3.31Å; R502-H504 PolarHBondContact O-N 2.94Å; H504-M506 PolarHBondContact O-N 3.41Å
505S59.9Low53.4Low69 Ų69147.8 Ų147.848%0.48369%0.69SS.*PPolyproline II helixtrans-74.7124.5172.71800000109.6Q507 T508S505-Q507 PolarHBondContact O-N 3.15Å; S505-T508 PolarHBondContact O-N 3.37Å; S505-T508 PolarHBondContact O-OG1 3.34Å
506M57.3Low54.5Low120 Ų120142.9 Ų142.959%0.59167%0.674SS**THydrogen-bonded Turntrans-45.4-35.5174.7-77.2-61.1-52.200113H504 T508 E509 Q510H504-M506 PolarHBondContact O-N 3.41Å; M506-T508 PolarHBondContact O-N 3.16Å; M506-E509 PolarHBondContact O-N 2.98Å; M506-Q510 WeakPolarHBondContact O-CG 3.48Å; M506-Q510 PolarHBondContact O-N 3.3Å
507Q56.6Low55.1Low134 Ų134140.9 Ų140.963%0.62666%0.661SS**Hα-helixtrans-57.9-33.9-179.9-166.1176.314.200113.1S505 E509 M511S505-Q507 PolarHBondContact O-N 3.15Å; Q507-E509 VanDerWaalsContact C-N 3.31Å; Q507-E509 PolarHBondContact O-N 3.16Å; Q507-M511 WeakPolarHBondContact O-CG 3.49Å; Q507-M511 PolarHBondContact O-N 3.46Å
508T57Low56Low77 Ų77138.3 Ų138.347%0.47265%0.652SS.*Hα-helixtrans-77.7-15.6178.959.60000114S505 M506S505-T508 PolarHBondContact O-N 3.37Å; S505-T508 PolarHBondContact O-OG1 3.34Å; M506-T508 PolarHBondContact O-N 3.16Å
509E58.2Low56.6Low114 Ų114134.7 Ų134.753%0.53364%0.638SS.*Hα-helixtrans-96.8-39.8179.7-157.9154-127.900110.5M506 Q507 M511 K512 Q513M506-E509 PolarHBondContact O-N 2.98Å; Q507-E509 VanDerWaalsContact C-N 3.31Å; Q507-E509 PolarHBondContact O-N 3.16Å; E509-M511 VanDerWaalsContact C-N 3.34Å; E509-M511 PolarHBondContact O-N 2.82Å; E509-K512 PolarHBondContact O-N 3.08Å; E509-K512 VanDerWaalsContact O-N 3.08Å; E509-Q513 PolarHBondContact O-N 3.42Å
510Q59.6Low57.3Low105 Ų105129.8 Ų129.849%0.49162%0.62SS.*Hα-helixtrans-57.5-42.6170.4-71.5175.2-37.600112.5M506 K512 Q513 L514M506-Q510 WeakPolarHBondContact O-CG 3.48Å; M506-Q510 PolarHBondContact O-N 3.3Å; Q510-K512 VanDerWaalsContact C-N 3.29Å; Q510-K512 PolarHBondContact O-N 2.89Å; Q510-Q513 PolarHBondContact O-N 3.02Å; Q510-L514 WeakPolarHBondContact O-CG 3.44Å; Q510-L514 PolarHBondContact O-N 3.05Å; Q510-L514 VanDerWaalsContact O-N 3.16Å
511M58.1Low58.2Low135 Ų135127 Ų12767%0.66561%0.606SS**Hα-helixtrans-61.1-36174.8-76.7-175.269.500112.9Q507 E509 S515Q507-M511 WeakPolarHBondContact O-CG 3.49Å; Q507-M511 PolarHBondContact O-N 3.46Å; E509-M511 VanDerWaalsContact C-N 3.34Å; E509-M511 PolarHBondContact O-N 2.82Å; M511-S515 PolarHBondContact O-N 3.09Å; M511-S515 PolarHBondContact O-OG 3.31Å
512K58.9Low58.9Low150 Ų150122.3 Ų122.365%0.65259%0.592SS**Hα-helixtrans-72-39178-75-174.8172.4-168.60112.6E509 Q510 L514 S515 T516E509-K512 PolarHBondContact O-N 3.08Å; E509-K512 VanDerWaalsContact O-N 3.08Å; Q510-K512 VanDerWaalsContact C-N 3.29Å; Q510-K512 PolarHBondContact O-N 2.89Å; K512-L514 VanDerWaalsContact C-N 3.3Å; K512-L514 PolarHBondContact O-N 3.38Å; K512-S515 WeakPolarHBondContact CA-OG 3.42Å; K512-S515 PolarHBondContact O-N 3.02Å; K512-S515 PolarHBondContact O-OG 3.39Å; K512-T516 PolarHBondContact O-N 3.14Å; K512-T516 PolarHBondContact O-OG1 3.09Å
513Q58.9Low59.3Low119 Ų119118 Ų11856%0.55658%0.581SS**Hα-helixtrans-62.1-39.4176.2-72.9-178.2-23.200111.4E509 Q510 T516 F517E509-Q513 PolarHBondContact O-N 3.42Å; Q510-Q513 PolarHBondContact O-N 3.02Å; Q513-T516 WeakPolarHBondContact CA-OG1 3.44Å; Q513-T516 PolarHBondContact O-N 3.28Å; Q513-T516 PolarHBondContact O-OG1 3.06Å; Q513-F517 WeakPolarHBondContact O-CD2 3.45Å; Q513-F517 PolarHBondContact O-N 3.09Å
514L57Low59.6Low125 Ų125112.6 Ų112.665%0.65457%0.565SS**Hα-helixtrans-64-42.4175.4-69.3173.1000112.7Q510 K512 F517 Q518Q510-L514 WeakPolarHBondContact O-CG 3.44Å; Q510-L514 PolarHBondContact O-N 3.05Å; Q510-L514 VanDerWaalsContact O-N 3.16Å; K512-L514 VanDerWaalsContact C-N 3.3Å; K512-L514 PolarHBondContact O-N 3.38Å; L514-F517 PolarHBondContact O-N 3.28Å; L514-Q518 PolarHBondContact O-N 3.43Å; L514-Q518 VanDerWaalsContact O-N 3.14Å
515S62Low59.9Low56 Ų56109.8 Ų109.839%0.39256%0.558SS.*Hα-helixtrans-63.9-42.6175.2480000112.6M511 K512 F517 Q518 E519M511-S515 PolarHBondContact O-N 3.09Å; M511-S515 PolarHBondContact O-OG 3.31Å; K512-S515 WeakPolarHBondContact CA-OG 3.42Å; K512-S515 PolarHBondContact O-N 3.02Å; K512-S515 PolarHBondContact O-OG 3.39Å; S515-F517 VanDerWaalsContact C-N 3.31Å; S515-F517 PolarHBondContact O-N 3.22Å; S515-Q518 WeakPolarHBondContact O-CB 3.45Å; S515-Q518 PolarHBondContact O-N 3.11Å; S515-Q518 VanDerWaalsContact O-N 3.09Å; S515-E519 PolarHBondContact O-N 3.19Å
516T64.2Low59.9Low64 Ų64111.9 Ų111.939%0.39357%0.567SS.*Hα-helixtrans-66.5-32.4178.1490000112.7K512 Q513 Q518 I520K512-T516 PolarHBondContact O-N 3.14Å; K512-T516 PolarHBondContact O-OG1 3.09Å; Q513-T516 WeakPolarHBondContact CA-OG1 3.44Å; Q513-T516 PolarHBondContact O-N 3.28Å; Q513-T516 PolarHBondContact O-OG1 3.06Å; T516-Q518 VanDerWaalsContact C-N 3.32Å; T516-I520 WeakPolarHBondContact O-CD1 3.5Å; T516-I520 VanDerWaalsContact O-CG1 3.25Å; T516-I520 WeakPolarHBondContact O-CG1 3.25Å; T516-I520 PolarHBondContact O-N 3.39Å; T516-I520 VanDerWaalsContact O-N 3.09Å
517F59.2Low59.8Low138 Ų138113.1 Ų113.161%0.60557%0.572SS**Hα-helixtrans-67.4-33.3172.3-99.7-80.6000112.4Q513 L514 S515 L521Q513-F517 WeakPolarHBondContact O-CD2 3.45Å; Q513-F517 PolarHBondContact O-N 3.09Å; L514-F517 PolarHBondContact O-N 3.28Å; S515-F517 VanDerWaalsContact C-N 3.31Å; S515-F517 PolarHBondContact O-N 3.22Å; F517-L521 WeakPolarHBondContact O-CB 3.31Å; F517-L521 VanDerWaalsContact O-CG 3.31Å; F517-L521 WeakPolarHBondContact O-CG 3.48Å; F517-L521 PolarHBondContact O-N 2.94Å; F517-L521 VanDerWaalsContact O-N 3.09Å
518Q60.8Low59.8Low152 Ų152111 Ų11171%0.7157%0.572SS**Hα-helixtrans-72.3-35.8177.5-164.7169.21200112.2L514 S515 T516 A522L514-Q518 PolarHBondContact O-N 3.43Å; L514-Q518 VanDerWaalsContact O-N 3.14Å; S515-Q518 WeakPolarHBondContact O-CB 3.45Å; S515-Q518 PolarHBondContact O-N 3.11Å; S515-Q518 VanDerWaalsContact O-N 3.09Å; T516-Q518 VanDerWaalsContact C-N 3.32Å; Q518-A522 PolarHBondContact O-N 3.06Å; Q518-A522 VanDerWaalsContact O-N 3.1Å
519E62.8Low59.7Low130 Ų130113.5 Ų113.561%0.60758%0.582SS**Hα-helixtrans-65-49.2171.7-70.4173.4135.300111.5S515 L521 A522 E523S515-E519 PolarHBondContact O-N 3.19Å; E519-L521 VanDerWaalsContact C-N 3.28Å; E519-L521 PolarHBondContact O-N 3.33Å; E519-A522 WeakPolarHBondContact O-CB 3.4Å; E519-A522 PolarHBondContact O-N 3.1Å; E519-E523 PolarHBondContact O-N 3.11Å
520I65.7Low59.5Low88 Ų88111 Ų11145%0.45159%0.586SS.*Hα-helixtrans-61.5-33.9179.1-67.7164.6000112.3T516 K524T516-I520 WeakPolarHBondContact O-CD1 3.5Å; T516-I520 VanDerWaalsContact O-CG1 3.25Å; T516-I520 WeakPolarHBondContact O-CG1 3.25Å; T516-I520 PolarHBondContact O-N 3.39Å; T516-I520 VanDerWaalsContact O-N 3.09Å; I520-K524 PolarHBondContact O-N 3.33Å
521L62Low58.7Low113 Ų113117.8 Ų117.859%0.59263%0.626SS**Hα-helixtrans-73.5-34.3174.5-75.3171.3000112.7F517 E519 V525F517-L521 WeakPolarHBondContact O-CB 3.31Å; F517-L521 VanDerWaalsContact O-CG 3.31Å; F517-L521 WeakPolarHBondContact O-CG 3.48Å; F517-L521 PolarHBondContact O-N 2.94Å; F517-L521 VanDerWaalsContact O-N 3.09Å; E519-L521 VanDerWaalsContact C-N 3.28Å; E519-L521 PolarHBondContact O-N 3.33Å; L521-V525 VanDerWaalsContact O-CG2 3.32Å; L521-V525 WeakPolarHBondContact O-CG2 3.32Å; L521-V525 PolarHBondContact O-N 2.63Å
522A61.3Low58.7Low59 Ų59116.9 Ų116.949%0.48862%0.624SS.*Hα-helixtrans-67.4-42.317400000111.4Q518 E519 V525 V526Q518-A522 PolarHBondContact O-N 3.06Å; Q518-A522 VanDerWaalsContact O-N 3.1Å; E519-A522 WeakPolarHBondContact O-CB 3.4Å; E519-A522 PolarHBondContact O-N 3.1Å; A522-V525 PolarHBondContact O-N 3.26Å; A522-V526 PolarHBondContact O-N 3.16Å
523E61.8Low58.7Low133 Ų133115.2 Ų115.262%0.62162%0.623SS**Hα-helixtrans-62.2-46.5179.7-160.3162.2-132.500111.5E519 V525 V526 E527E519-E523 PolarHBondContact O-N 3.11Å; E523-V525 VanDerWaalsContact C-N 3.32Å; E523-V525 PolarHBondContact O-N 3.43Å; E523-V526 WeakPolarHBondContact O-CB 3.46Å; E523-V526 PolarHBondContact O-N 3.07Å; E523-E527 PolarHBondContact O-N 3.33Å; E523-E527 VanDerWaalsContact O-N 3.16Å
524K59Low58.7Low134 Ų134114.9 Ų114.958%0.58363%0.627SS**Hα-helixtrans-65.9-26.9176.9-77.1-166168.6-164.50115.3I520 V526 S528I520-K524 PolarHBondContact O-N 3.33Å; K524-V526 VanDerWaalsContact C-N 3.29Å; K524-S528 PolarHBondContact O-N 3.31Å; K524-S528 VanDerWaalsContact O-N 3.11Å
525V58.2Low58.8Low90 Ų90114.4 Ų114.455%0.54563%0.625SS.*Hα-helixtrans-76.5-19.4174.9170.10000111.5L521 A522 E523 N529L521-V525 VanDerWaalsContact O-CG2 3.32Å; L521-V525 WeakPolarHBondContact O-CG2 3.32Å; L521-V525 PolarHBondContact O-N 2.63Å; A522-V525 PolarHBondContact O-N 3.26Å; E523-V525 VanDerWaalsContact C-N 3.32Å; E523-V525 PolarHBondContact O-N 3.43Å; V525-N529 PolarHBondContact O-ND2 2.78Å
526V58.4Low58.6Low113 Ų113118 Ų11869%0.68564%0.64SS**Hα-helixtrans-78.6-43.2168.8177.90000110.6A522 E523 K524 S528 N529A522-V526 PolarHBondContact O-N 3.16Å; E523-V526 WeakPolarHBondContact O-CB 3.46Å; E523-V526 PolarHBondContact O-N 3.07Å; K524-V526 VanDerWaalsContact C-N 3.29Å; V526-S528 VanDerWaalsContact C-N 3.33Å; V526-S528 PolarHBondContact O-N 3.28Å; V526-N529 PolarHBondContact O-N 3.49Å
527E56.3Low58.2Low146 Ų146121.6 Ų121.668%0.68266%0.656SS**Hα-helixtrans-63.3-33.8177.2-66.6-174.5136.500113.2E523 N529E523-E527 PolarHBondContact O-N 3.33Å; E523-E527 VanDerWaalsContact O-N 3.16Å; E527-N529 VanDerWaalsContact C-N 3.28Å; E527-N529 PolarHBondContact O-N 3.4Å
528S56Low58.2Low90 Ų90120.4 Ų120.463%0.62966%0.66SS**THydrogen-bonded Turntrans-83.211.3-176.583.30000115.7K524 V526K524-S528 PolarHBondContact O-N 3.31Å; K524-S528 VanDerWaalsContact O-N 3.11Å; V526-S528 VanDerWaalsContact C-N 3.33Å; V526-S528 PolarHBondContact O-N 3.28Å
529N54.5Low57.9Low130 Ų130118 Ų11870%0.69566%0.656SS**THydrogen-bonded Turntrans-125.925.6-179.5-76.5-67.7000111.9V525 V526 E527V525-N529 PolarHBondContact O-ND2 2.78Å; V526-N529 PolarHBondContact O-N 3.49Å; E527-N529 VanDerWaalsContact C-N 3.28Å; E527-N529 PolarHBondContact O-N 3.4Å
530G54.6Low57.5Low60 Ų60117 Ų11762%0.61966%0.66SS**  trans-135.137.8-168.600000115.8
531D42.7Very low56.8Low248 Ų248119.6 Ų119.6100%1.32668%0.679SS**  trans-142.30164.3-90.2-43.4000109.3

Retrieved 531 of 531 residues in 78.6 ms (Link to these results)

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