A0A087XFQ5_POEFO Loading...

Pre-rRNA-processing protein TSR1 homolog

Required during maturation of the 40S ribosomal subunit in the nucleolus.

AlphaFold DB , UniProt , Accession A0A087XFQ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 829 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
1M84.9Confident94.1Very high183 Ų183130.1 Ų130.190%0.90160%0.597SS**  0-41.20-72.9-65.7-9000112R3 R4 H5M1-R3 PolarHBondContact O-N 3.38Å; M1-R4 WeakPolarHBondContact O-CB 3.41Å; M1-R4 PolarHBondContact O-N 3.05Å; M1-H5 PolarHBondContact O-N 2.91Å
2D91.2Very high94.3Very high134 Ų134130.8 Ų130.872%0.71760%0.598SS**Hα-helixtrans-62.9-37-175.1-49.2-31.3000114.7R4 H5 K6D2-R4 VanDerWaalsContact C-N 3.29Å; D2-R4 PolarHBondContact O-N 3.35Å; D2-H5 PolarHBondContact O-N 3.14Å; D2-K6 WeakPolarHBondContact O-CB 3.43Å; D2-K6 PolarHBondContact O-N 2.98Å
3R92.6Very high94.5Very high235 Ų235126.4 Ų126.489%0.88759%0.586SS**Hα-helixtrans-58.7-41.1172.9-69.3-174.8179.1-176.4-0.2112.2M1 A7M1-R3 PolarHBondContact O-N 3.38Å; R3-A7 WeakPolarHBondContact O-CB 3.45Å; R3-A7 PolarHBondContact O-N 2.71Å
4R94.1Very high94.6Very high178 Ų178127.2 Ų127.267%0.67259%0.587SS**Hα-helixtrans-70.6-37.9177-171.7179.4-179.6-174.70.1111.1M1 D2 A7 N8M1-R4 WeakPolarHBondContact O-CB 3.41Å; M1-R4 PolarHBondContact O-N 3.05Å; D2-R4 VanDerWaalsContact C-N 3.29Å; D2-R4 PolarHBondContact O-N 3.35Å; R4-A7 PolarHBondContact O-N 3.47Å; R4-N8 WeakPolarHBondContact O-CB 3.41Å; R4-N8 PolarHBondContact O-N 3.44Å; R4-N8 PolarHBondContact O-ND2 3.16Å
5H95.6Very high94.6Very high109 Ų109126.9 Ų126.951%0.50558%0.583SS.*Hα-helixtrans-63.7-48.8175.1-170.368.5000111.6M1 D2 A7 N8 Q9M1-H5 PolarHBondContact O-N 2.91Å; D2-H5 PolarHBondContact O-N 3.14Å; H5-A7 VanDerWaalsContact C-N 3.34Å; H5-A7 PolarHBondContact O-N 3.18Å; H5-N8 WeakPolarHBondContact O-CB 3.32Å; H5-N8 PolarHBondContact O-N 3.19Å; H5-N8 VanDerWaalsContact O-N 3.1Å; H5-Q9 PolarHBondContact CD2-NE2 3.49Å; H5-Q9 PolarHBondContact NE2-NE2 2.79Å; H5-Q9 WeakPolarHBondContact O-CG 3.35Å; H5-Q9 PolarHBondContact O-N 2.93Å
6K96.2Very high94.6Very high136 Ų136123.1 Ų123.159%0.59157%0.569SS**Hα-helixtrans-57.4-44.2174.5-173176.7-178.4174.90112D2 N8 Q9 L10D2-K6 WeakPolarHBondContact O-CB 3.43Å; D2-K6 PolarHBondContact O-N 2.98Å; K6-N8 VanDerWaalsContact C-N 3.33Å; K6-N8 PolarHBondContact O-N 2.68Å; K6-Q9 PolarHBondContact O-N 3.31Å; K6-L10 HydrophobicContact CG-CD1 4.23Å; K6-L10 WeakPolarHBondContact O-CB 3.45Å; K6-L10 WeakPolarHBondContact O-CG 3.39Å; K6-L10 PolarHBondContact O-N 3.3Å
7A95.9Very high94.3Very high55 Ų55122.3 Ų122.346%0.45557%0.566SS.*Hα-helixtrans-62.2-40175.900000112.4R3 R4 H5 R11R3-A7 WeakPolarHBondContact O-CB 3.45Å; R3-A7 PolarHBondContact O-N 2.71Å; R4-A7 PolarHBondContact O-N 3.47Å; H5-A7 VanDerWaalsContact C-N 3.34Å; H5-A7 PolarHBondContact O-N 3.18Å; A7-R11 VanDerWaalsContact O-CB 3.24Å; A7-R11 WeakPolarHBondContact O-CB 3.14Å; A7-R11 PolarHBondContact O-N 3.08Å
8N96.4Very high94.1Very high63 Ų63119.4 Ų119.434%0.33756%0.558SS.*Hα-helixtrans-66.7-41.7175.9-79.3-23.2000112.5R4 H5 K6 R11 K12R4-N8 WeakPolarHBondContact O-CB 3.41Å; R4-N8 PolarHBondContact O-N 3.44Å; R4-N8 PolarHBondContact O-ND2 3.16Å; H5-N8 WeakPolarHBondContact O-CB 3.32Å; H5-N8 PolarHBondContact O-N 3.19Å; H5-N8 VanDerWaalsContact O-N 3.1Å; K6-N8 VanDerWaalsContact C-N 3.33Å; K6-N8 PolarHBondContact O-N 2.68Å; N8-R11 PolarHBondContact O-N 3.26Å; N8-R11 PolarHBondContact OD1-NH2 3.2Å; N8-K12 WeakPolarHBondContact O-CB 3.44Å; N8-K12 PolarHBondContact O-N 3.33Å
9Q96.1Very high93.8Very high101 Ų101117.4 Ų117.447%0.47255%0.551SS.*Hα-helixtrans-59.6-53.5174.3-71.6179.3-9.600110.6H5 K6 R11 K12 T13H5-Q9 PolarHBondContact CD2-NE2 3.49Å; H5-Q9 PolarHBondContact NE2-NE2 2.79Å; H5-Q9 WeakPolarHBondContact O-CG 3.35Å; H5-Q9 PolarHBondContact O-N 2.93Å; K6-Q9 PolarHBondContact O-N 3.31Å; Q9-R11 VanDerWaalsContact C-N 3.28Å; Q9-R11 PolarHBondContact O-N 2.82Å; Q9-K12 WeakPolarHBondContact O-CB 3.48Å; Q9-K12 PolarHBondContact O-N 3.39Å; Q9-T13 PolarHBondContact O-N 2.95Å; Q9-T13 PolarHBondContact O-OG1 2.88Å; Q9-T13 VanDerWaalsContact O-OG1 3.09Å
10L95.9Very high93.4Very high94 Ų94117.4 Ų117.449%0.49255%0.552SS.*Hα-helixtrans-57.8-40.3177.8-71.2172.4000112.2K6 K14K6-L10 HydrophobicContact CG-CD1 4.23Å; K6-L10 WeakPolarHBondContact O-CB 3.45Å; K6-L10 WeakPolarHBondContact O-CG 3.39Å; K6-L10 PolarHBondContact O-N 3.3Å; L10-K14 WeakPolarHBondContact O-CB 3.42Å; L10-K14 WeakPolarHBondContact O-CG 3.29Å; L10-K14 PolarHBondContact O-N 2.71Å
11R96.4Very high92.9Very high143 Ų143116.4 Ų116.454%0.5455%0.548SS..Hα-helixtrans-65.4-40.6176.3-174.8177.467.8-177.90.6111.7A7 N8 Q9 K15A7-R11 VanDerWaalsContact O-CB 3.24Å; A7-R11 WeakPolarHBondContact O-CB 3.14Å; A7-R11 PolarHBondContact O-N 3.08Å; N8-R11 PolarHBondContact O-N 3.26Å; N8-R11 PolarHBondContact OD1-NH2 3.2Å; Q9-R11 VanDerWaalsContact C-N 3.28Å; Q9-R11 PolarHBondContact O-N 2.82Å; R11-K15 HydrophobicContact CG-CD 4.35Å; R11-K15 WeakPolarHBondContact O-CB 3.5Å; R11-K15 VanDerWaalsContact O-CG 3.25Å; R11-K15 WeakPolarHBondContact O-CG 3.34Å; R11-K15 PolarHBondContact O-N 3.33Å
12K96.6Very high92.9Very high139 Ų139113.7 Ų113.760%0.60453%0.531SS*.Hα-helixtrans-64.7-50.9177-170.4-179.8177.4-174.10110.2N8 Q9 K14 K15 D16N8-K12 WeakPolarHBondContact O-CB 3.44Å; N8-K12 PolarHBondContact O-N 3.33Å; Q9-K12 WeakPolarHBondContact O-CB 3.48Å; Q9-K12 PolarHBondContact O-N 3.39Å; K12-K14 PolarHBondContact O-N 2.76Å; K12-K15 WeakPolarHBondContact O-CB 3.28Å; K12-K15 PolarHBondContact O-N 3.1Å; K12-K15 VanDerWaalsContact O-N 3.09Å; K12-D16 VanDerWaalsContact O-CG 3.25Å; K12-D16 PolarHBondContact O-N 3.01Å
13T96.7Very high92.6Very high73 Ų73115.1 Ų115.145%0.44853%0.526SS..Hα-helixtrans-56.3-46.6176.9-52.10000112.1Q9 K15 D16 Q17Q9-T13 PolarHBondContact O-N 2.95Å; Q9-T13 PolarHBondContact O-OG1 2.88Å; Q9-T13 VanDerWaalsContact O-OG1 3.09Å; T13-K15 PolarHBondContact O-N 3.07Å; T13-D16 PolarHBondContact O-N 3.45Å; T13-Q17 WeakPolarHBondContact O-CB 3.49Å; T13-Q17 VanDerWaalsContact O-CG 3.28Å; T13-Q17 WeakPolarHBondContact O-CG 3.48Å; T13-Q17 PolarHBondContact O-N 2.8Å
14K95.6Very high92.2Very high138 Ų138110.6 Ų110.660%0.651%0.509SS*.Hα-helixtrans-64.5-39.4176.7-74.6-176.5178.2-173.60112.6L10 K12 V18L10-K14 WeakPolarHBondContact O-CB 3.42Å; L10-K14 WeakPolarHBondContact O-CG 3.29Å; L10-K14 PolarHBondContact O-N 2.71Å; K12-K14 PolarHBondContact O-N 2.76Å; K14-V18 VanDerWaalsContact O-CG2 3.3Å; K14-V18 WeakPolarHBondContact O-CG2 3.49Å; K14-V18 PolarHBondContact O-N 2.99Å
15K95.3Very high91.8Very high122 Ų122103.6 Ų103.653%0.5349%0.485SS..Hα-helixtrans-63.4-45.1175.5-80.6-178.9175.7-167.20111.2R11 K12 T13 Q17 V18 L19R11-K15 HydrophobicContact CG-CD 4.35Å; R11-K15 WeakPolarHBondContact O-CB 3.5Å; R11-K15 VanDerWaalsContact O-CG 3.25Å; R11-K15 WeakPolarHBondContact O-CG 3.34Å; R11-K15 PolarHBondContact O-N 3.33Å; K12-K15 WeakPolarHBondContact O-CB 3.28Å; K12-K15 PolarHBondContact O-N 3.1Å; K12-K15 VanDerWaalsContact O-N 3.09Å; T13-K15 PolarHBondContact O-N 3.07Å; K15-Q17 VanDerWaalsContact C-N 3.35Å; K15-V18 PolarHBondContact O-N 2.74Å; K15-L19 WeakPolarHBondContact O-CB 3.33Å; K15-L19 VanDerWaalsContact O-CG 3.27Å; K15-L19 WeakPolarHBondContact O-CG 3.37Å; K15-L19 PolarHBondContact O-N 2.9Å
16D94.1Very high91Very high66 Ų6698.5 Ų98.535%0.35346%0.462SS..Hα-helixtrans-63.7-42.2179.7-64.9-20.1000110.7K12 T13 L19 M20K12-D16 VanDerWaalsContact O-CG 3.25Å; K12-D16 PolarHBondContact O-N 3.01Å; T13-D16 PolarHBondContact O-N 3.45Å; D16-L19 PolarHBondContact O-N 2.86Å; D16-M20 VanDerWaalsContact O-CG 3.31Å; D16-M20 WeakPolarHBondContact O-CG 3.38Å; D16-M20 PolarHBondContact O-N 2.89Å
17Q89.9Confident90.3Very high110 Ų11094.1 Ų94.151%0.51445%0.448SS..Hα-helixtrans-58.6-50.1173.2-74.2171.6-8.300112.3T13 K15 L19 M20 E21T13-Q17 WeakPolarHBondContact O-CB 3.49Å; T13-Q17 VanDerWaalsContact O-CG 3.28Å; T13-Q17 WeakPolarHBondContact O-CG 3.48Å; T13-Q17 PolarHBondContact O-N 2.8Å; K15-Q17 VanDerWaalsContact C-N 3.35Å; Q17-L19 VanDerWaalsContact C-N 3.3Å; Q17-L19 PolarHBondContact O-N 3.02Å; Q17-M20 PolarHBondContact O-N 3.05Å; Q17-E21 WeakPolarHBondContact O-CG 3.21Å; Q17-E21 PolarHBondContact O-N 3.2Å
18V90.3Very high89.4Confident71 Ų7198.7 Ų98.743%0.4345%0.454SS..Hα-helixtrans-63.8-36.8178.8171.90000111.5K14 K15 K22K14-V18 VanDerWaalsContact O-CG2 3.3Å; K14-V18 WeakPolarHBondContact O-CG2 3.49Å; K14-V18 PolarHBondContact O-N 2.99Å; K15-V18 PolarHBondContact O-N 2.74Å; V18-K22 HydrophobicContact CG1-CD 4.37Å; V18-K22 WeakPolarHBondContact O-CG 3.48Å; V18-K22 PolarHBondContact O-N 2.84Å
19L88.3Confident88.6Confident80 Ų80100.8 Ų100.842%0.41947%0.465SS..Hα-helixtrans-68.3-41.9176.5-75.3171.7000112K15 D16 Q17 E21 K22 R23K15-L19 WeakPolarHBondContact O-CB 3.33Å; K15-L19 VanDerWaalsContact O-CG 3.27Å; K15-L19 WeakPolarHBondContact O-CG 3.37Å; K15-L19 PolarHBondContact O-N 2.9Å; D16-L19 PolarHBondContact O-N 2.86Å; Q17-L19 VanDerWaalsContact C-N 3.3Å; Q17-L19 PolarHBondContact O-N 3.02Å; L19-E21 VanDerWaalsContact C-N 3.34Å; L19-K22 PolarHBondContact O-N 2.85Å; L19-R23 WeakPolarHBondContact O-CB 3.42Å; L19-R23 VanDerWaalsContact O-CG 3.24Å; L19-R23 WeakPolarHBondContact O-CG 3.44Å; L19-R23 PolarHBondContact O-N 2.93Å
20M85.8Confident88Confident117 Ų11796.1 Ų96.158%0.57644%0.444SS*.Hα-helixtrans-60.2-45.6174.1-73.1-180-164.100110.8D16 Q17 K22 R23 R24D16-M20 VanDerWaalsContact O-CG 3.31Å; D16-M20 WeakPolarHBondContact O-CG 3.38Å; D16-M20 PolarHBondContact O-N 2.89Å; Q17-M20 PolarHBondContact O-N 3.05Å; M20-K22 PolarHBondContact O-N 3.24Å; M20-R23 PolarHBondContact O-N 2.97Å; M20-R24 WeakPolarHBondContact O-CG 3.5Å; M20-R24 PolarHBondContact O-N 3.07Å; M20-R24 VanDerWaalsContact O-N 3.17Å
21E83.8Confident87.7Confident98 Ų9892 Ų9246%0.45842%0.423SS..Hα-helixtrans-60.7-42.1177.1-71.7-176.3158.200112.8Q17 L19 R24 K196Q17-E21 WeakPolarHBondContact O-CG 3.21Å; Q17-E21 PolarHBondContact O-N 3.2Å; L19-E21 VanDerWaalsContact C-N 3.34Å; E21-R24 PolarHBondContact O-N 3.32Å; E21-K196 VanDerWaalsContact CD-NZ 3.28Å; E21-K196 IonicContact OE1-NZ 2.81Å; E21-K196 PolarHBondContact OE1-NZ 2.99Å
22K84.8Confident87.4Confident126 Ų12685.2 Ų85.255%0.54840%0.397SS..Hα-helixtrans-69.1-31.5177.3-75-175.1173.3-1630113.2V18 L19 M20 R24V18-K22 HydrophobicContact CG1-CD 4.37Å; V18-K22 WeakPolarHBondContact O-CG 3.48Å; V18-K22 PolarHBondContact O-N 2.84Å; L19-K22 PolarHBondContact O-N 2.85Å; M20-K22 PolarHBondContact O-N 3.24Å; K22-R24 VanDerWaalsContact C-N 3.34Å
23R84.7Confident87.1Confident164 Ų16479 Ų7962%0.61937%0.37SS*.Hα-helixtrans-73.2-26.6178-75172.1-175.61772.1112.9L19 M20 L25 S27L19-R23 WeakPolarHBondContact O-CB 3.42Å; L19-R23 VanDerWaalsContact O-CG 3.24Å; L19-R23 WeakPolarHBondContact O-CG 3.44Å; L19-R23 PolarHBondContact O-N 2.93Å; M20-R23 PolarHBondContact O-N 2.97Å; R23-L25 PolarHBondContact O-N 3.46Å; R23-S27 WeakPolarHBondContact O-CB 3.32Å
24R82.9Confident86.8Confident140 Ų14075.5 Ų75.553%0.52835%0.349SS..THydrogen-bonded Turntrans-64.6-15.3177.8-75.6-179.7-174.9-134.43.5113.9M20 E21 K22 G30 P31 D529M20-R24 WeakPolarHBondContact O-CG 3.5Å; M20-R24 PolarHBondContact O-N 3.07Å; M20-R24 VanDerWaalsContact O-N 3.17Å; E21-R24 PolarHBondContact O-N 3.32Å; K22-R24 VanDerWaalsContact C-N 3.34Å; R24-G30 WeakPolarHBondContact O-CA 3.12Å; R24-P31 VanDerWaalsContact O-CD 3.23Å; R24-P31 WeakPolarHBondContact O-CD 3.46Å; R24-D529 IonicContact NH1-OD2 3.94Å; R24-D529 PolarHBondContact NH1-OD2 3.42Å
25L85.6Confident86.6Confident31 Ų3169 Ų6916%0.16232%0.321CS..SBendtrans-127130.8-174.2-172.960.8000111.7R23 S27 H33 D107 Q194R23-L25 PolarHBondContact O-N 3.46Å; L25-S27 PolarHBondContact O-N 2.86Å; L25-H33 WeakPolarHBondContact CD2-ND1 3.42Å; L25-H33 WeakPolarHBondContact CG-ND1 3.19Å; L25-D107 WeakPolarHBondContact CD1-OD2 3.23Å; L25-D107 HydrophobicContact CD2-CB 4.3Å; L25-Q194 HydrophobicContact CD2-CG 3.68Å
26G79.5Confident86.4Confident2 Ų263.2 Ų63.22%0.02130%0.296CS..SBendtrans66.72.1174.900000115.1P31 Q84 R85G26-P31 WeakPolarHBondContact CA-O 3.5Å; G26-P31 PolarHBondContact N-O 2.96Å; G26-Q84 VanDerWaalsContact O-CA 3.28Å; G26-Q84 WeakPolarHBondContact O-CA 3.44Å; G26-R85 PolarHBondContact O-N 2.9Å; G26-R85 VanDerWaalsContact O-N 3.14Å
27S81.7Confident86.2Confident43 Ų4360.2 Ų60.230%0.30128%0.28SS..SBendtrans-83.8-172177.1-157.20000111.8R23 L25 D29 R85R23-S27 WeakPolarHBondContact O-CB 3.32Å; L25-S27 PolarHBondContact O-N 2.86Å; S27-D29 VanDerWaalsContact C-N 3.33Å; S27-D29 PolarHBondContact O-N 3.06Å; S27-R85 PolarHBondContact O-NE 3.19Å; S27-R85 PolarHBondContact O-NH2 2.69Å
28R78.1Confident86.2Confident152 Ų15255 Ų5557%0.57426%0.256SS*.SBendtrans-60.8-41.9177.2-175-171.966.2-166.2-5.6112.2R85 L272R28-R85 PolarHBondContact O-NH2 3.05Å; R28-L272 HydrophobicContact CB-CD2 4.31Å
29D78.4Confident86.2Confident106 Ų10652.4 Ų52.457%0.56724%0.241SC*.SBendtrans-99.8-20.7-171.5-52.9-27.6000112S27S27-D29 VanDerWaalsContact C-N 3.33Å; S27-D29 PolarHBondContact O-N 3.06Å
30G83.8Confident86.2Confident4 Ų448.7 Ų48.74%0.04122%0.221CC..SBendtrans-93156179.600000113.1R24 R85R24-G30 WeakPolarHBondContact O-CA 3.12Å; G30-R85 PolarHBondContact O-NH2 2.91Å
31P89.1Confident86.3Confident7 Ų743.9 Ų43.95%0.04520%0.197CC..PPolyproline II helixtrans-64.2159.7-174.226.7-29.9000112.1R24 G26 Y238 R240R24-P31 VanDerWaalsContact O-CD 3.23Å; R24-P31 WeakPolarHBondContact O-CD 3.46Å; G26-P31 WeakPolarHBondContact CA-O 3.5Å; G26-P31 PolarHBondContact N-O 2.96Å; P31-Y238 HydrophobicContact CB-CG 4.4Å; P31-R240 HydrophobicContact CB-CG 4.47Å; P31-R240 HydrophobicContact CG-CG 4.22Å
32P89.7Confident86.3Confident1 Ų142.7 Ų42.71%0.00620%0.204CC..PPolyproline II helixtrans-54.5142.3172.8-24.634.2000112L34 R85 T87 Y238 R240P32-L34 PolarHBondContact O-N 3.07Å; P32-L34 VanDerWaalsContact O-N 3.17Å; P32-R85 HydrophobicContact CB-CB 4.19Å; P32-T87 VanDerWaalsContact CB-OG1 3.26Å; P32-T87 WeakPolarHBondContact CB-OG1 3.38Å; P32-Y238 HydrophobicContact CG-CD2 4.07Å; P32-Y238 HydrophobicContact CG-CE1 4.21Å; P32-Y238 HydrophobicContact CG-CE2 3.67Å; P32-Y238 HydrophobicContact CG-CG 4.49Å; P32-R240 VanDerWaalsContact O-CZ 3.25Å; P32-R240 PolarHBondContact O-NH1 2.88Å; P32-R240 PolarHBondContact O-NH2 2.95Å
33H90.7Very high86.1Confident7 Ų742.8 Ų42.83%0.03221%0.211CC..EExtended strand (participates in β ladder)trans-68.8110.5177-169.671.3000110L25 V35 R85 F86 T87 S108 Q194L25-H33 WeakPolarHBondContact CD2-ND1 3.42Å; L25-H33 WeakPolarHBondContact CG-ND1 3.19Å; H33-V35 WeakPolarHBondContact CD2-CG2 3.29Å; H33-V35 PolarHBondContact O-N 2.77Å; H33-R85 WeakPolarHBondContact CB-O 3.35Å; H33-R85 PolarHBondContact N-O 2.81Å; H33-F86 HydrophobicContact CB-CD1 3.64Å; H33-F86 HydrophobicContact CB-CE1 3.93Å; H33-F86 HydrophobicContact CB-CG 4.41Å; H33-F86 AromaticContact CD2-CD1 3.64Å; H33-F86 AromaticContact CD2-CE1 3.62Å; H33-F86 AromaticContact CG-CD1 3.97Å; H33-F86 AromaticContact CG-CE1 3.96Å; H33-F86 CarbonylContact O-C 3.55Å; H33-F86 WeakPolarHBondContact O-CA 3.23Å; H33-T87 PolarHBondContact O-N 3.03Å; H33-S108 PolarHBondContact CE1-OG 2.87Å; H33-S108 VanDerWaalsContact CE1-OG 3.28Å; H33-S108 PolarHBondContact NE2-OG 2.9Å; H33-Q194 PolarHBondContact CE1-NE2 2.88Å
34L90.8Very high85.9Confident1 Ų135.3 Ų35.31%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-85114.4-174.9-175.462.4000110.4P32 T87 L89 V105 D107 S108 L207P32-L34 PolarHBondContact O-N 3.07Å; P32-L34 VanDerWaalsContact O-N 3.17Å; L34-T87 HydrophobicContact CD1-CG2 4.01Å; L34-L89 HydrophobicContact CD1-CD1 3.69Å; L34-L89 HydrophobicContact CD1-CG 3.9Å; L34-L89 HydrophobicContact CG-CD1 4.42Å; L34-V105 HydrophobicContact CD2-CB 4.31Å; L34-V105 HydrophobicContact CD2-CG1 3.65Å; L34-D107 PolarHBondContact O-N 3.37Å; L34-S108 PolarHBondContact O-N 3.27Å; L34-L207 HydrophobicContact CD1-CD2 4.05Å; L34-L207 HydrophobicContact CD2-CD2 3.98Å
35V91.6Very high85.7Confident0 Ų032.7 Ų32.70%018%0.18CC..EExtended strand (participates in β ladder)trans-115.9118.2-179.5-172.70000109.7H33 F86 T87 F88 L89 S108 V110 L189H33-V35 WeakPolarHBondContact CD2-CG2 3.29Å; H33-V35 PolarHBondContact O-N 2.77Å; V35-F86 HydrophobicContact CG2-CD1 4.19Å; V35-T87 PolarHBondContact N-O 2.89Å; V35-F88 HydrophobicContact CB-CD1 3.63Å; V35-F88 HydrophobicContact CB-CE1 3.6Å; V35-F88 HydrophobicContact CB-CG 4.47Å; V35-F88 HydrophobicContact CB-CZ 4.43Å; V35-F88 HydrophobicContact CG1-CD1 3.84Å; V35-F88 HydrophobicContact CG1-CE1 3.65Å; V35-F88 HydrophobicContact CG2-CD1 4.36Å; V35-F88 HydrophobicContact CG2-CE1 3.91Å; V35-F88 HydrophobicContact CG2-CZ 4.31Å; V35-F88 CarbonylContact O-C 3.48Å; V35-F88 WeakPolarHBondContact O-CA 3.23Å; V35-L89 PolarHBondContact O-N 3.28Å; V35-S108 VanDerWaalsContact CA-O 3.3Å; V35-S108 WeakPolarHBondContact CA-O 3.32Å; V35-V110 HydrophobicContact CG1-CB 4.37Å; V35-V110 HydrophobicContact CG1-CG2 3.5Å; V35-V110 VanDerWaalsContact CG1-CG2 3.5Å; V35-L189 HydrophobicContact CG1-CD1 4.2Å; V35-L189 HydrophobicContact CG2-CD1 4.27Å
36A91Very high85.3Confident1 Ų131.3 Ų31.31%0.00817%0.174CC..EExtended strand (participates in β ladder)trans-97.3127170.800000109.8L89 V102 A106 S108 L109 V110A36-L89 CarbonylContact C-O 3.45Å; A36-L89 WeakPolarHBondContact CA-O 3.15Å; A36-V102 HydrophobicContact CB-CG1 3.63Å; A36-A106 HydrophobicContact CB-CB 4.03Å; A36-S108 PolarHBondContact N-O 2.71Å; A36-L109 HydrophobicContact CB-CD2 3.78Å; A36-L109 WeakPolarHBondContact O-CA 3.45Å; A36-V110 PolarHBondContact O-N 3.18Å
37V90.2Very high85.2Confident4 Ų431.7 Ų31.72%0.02418%0.177CC..EExtended strand (participates in β ladder)trans-97.1124.6174.9-174.40000107.5A46 V49 F88 L89 Q91 V110 V112V37-A46 HydrophobicContact CG1-CB 4.04Å; V37-V49 HydrophobicContact CG1-CB 4.39Å; V37-V49 HydrophobicContact CG1-CG1 4.32Å; V37-F88 HydrophobicContact CG2-CD1 4.27Å; V37-L89 PolarHBondContact N-O 3.13Å; V37-Q91 PolarHBondContact O-N 3.17Å; V37-V110 WeakPolarHBondContact CA-O 3.33Å; V37-V110 HydrophobicContact CG2-CB 4.36Å; V37-V112 HydrophobicContact CG1-CG2 3.58Å
38V90.2Very high85.1Confident1 Ų131.3 Ų31.31%0.00618%0.176CC..EExtended strand (participates in β ladder)trans-127.2120.6-176.3-177.10000108.3L40 T93 L99 V110 F111 V112V38-L40 HydrophobicContact CG1-CD2 4.26Å; V38-T93 HydrophobicContact CG1-CG2 4.03Å; V38-L99 HydrophobicContact CB-CD1 4.32Å; V38-L99 HydrophobicContact CG1-CD1 3.76Å; V38-L99 HydrophobicContact CG1-CD2 4.42Å; V38-L99 HydrophobicContact CG2-CD1 3.53Å; V38-V110 PolarHBondContact N-O 2.84Å; V38-F111 HydrophobicContact CB-CD1 4.09Å; V38-F111 HydrophobicContact CB-CE1 4.36Å; V38-F111 HydrophobicContact CG1-CD1 4.44Å; V38-F111 WeakPolarHBondContact O-CA 3.15Å; V38-V112 PolarHBondContact O-N 2.9Å
39S89.9Confident85.3Confident16 Ų1624 Ų2411%0.11215%0.149CC..EExtended strand (participates in β ladder)trans-79.4129.8170.148.10000110.1A44 T93S39-A44 WeakPolarHBondContact CB-O 3.48Å; S39-T93 WeakPolarHBondContact O-CG2 3.18Å
40L87.6Confident85.3Confident2 Ų219.4 Ų19.41%0.0113%0.125CC..  trans-100.2-1.5-179.7-66.2177.7000113.6V38 F111 V112 L113 W119 D120 G123 L127V38-L40 HydrophobicContact CG1-CD2 4.26Å; L40-F111 HydrophobicContact CD1-CB 3.69Å; L40-F111 HydrophobicContact CD1-CD1 3.87Å; L40-F111 HydrophobicContact CD1-CG 3.95Å; L40-F111 HydrophobicContact CD2-CD1 3.95Å; L40-F111 HydrophobicContact CD2-CE1 4.42Å; L40-F111 HydrophobicContact CG-CB 4.27Å; L40-F111 HydrophobicContact CG-CD1 4.02Å; L40-V112 PolarHBondContact N-O 3.03Å; L40-L113 HydrophobicContact CB-CD2 4.38Å; L40-L113 HydrophobicContact CD1-CD2 3.63Å; L40-W119 HydrophobicContact CB-CB 3.75Å; L40-W119 HydrophobicContact CD1-CB 4.39Å; L40-D120 PolarHBondContact O-N 2.8Å; L40-D120 VanDerWaalsContact O-N 3.1Å; L40-G123 WeakPolarHBondContact O-CA 3.28Å; L40-L127 HydrophobicContact CD1-CD1 3.9Å; L40-L127 HydrophobicContact CD1-CD2 4Å; L40-L127 HydrophobicContact CD1-CG 4.11Å; L40-L127 HydrophobicContact CD2-CD1 4.44Å; L40-L127 HydrophobicContact CD2-CD2 3.93Å; L40-L127 HydrophobicContact CD2-CG 3.85Å
41H88.1Confident85.2Confident16 Ų1626.3 Ų26.37%0.07415%0.154CC..SBendtrans-139.8144.8-175.7-169.3-91000109.5N43 A44 D114 E117H41-N43 PolarHBondContact CE1-ND2 2.93Å; H41-N43 WeakPolarHBondContact ND1-CB 3.45Å; H41-N43 PolarHBondContact ND1-N 3.13Å; H41-N43 PolarHBondContact O-N 2.81Å; H41-A44 HydrophobicContact CB-CB 4.14Å; H41-A44 WeakPolarHBondContact O-CB 3.47Å; H41-A44 PolarHBondContact O-N 3.48Å; H41-D114 HydrophobicContact CB-CB 4.12Å; H41-E117 IonicContact NE2-OE2 2.68Å
42A83.9Confident84.8Confident73 Ų7328.5 Ų28.560%0.60317%0.165SC*.THydrogen-bonded Turntrans-60.9-33.3-178.500000113.1A44A42-A44 VanDerWaalsContact C-N 3.32Å
43N81.4Confident84.3Confident128 Ų12828.6 Ų28.668%0.68417%0.165SC*.THydrogen-bonded Turntrans-79-10.9176.3-59.3-16.1000113.9H41H41-N43 PolarHBondContact CE1-ND2 2.93Å; H41-N43 WeakPolarHBondContact ND1-CB 3.45Å; H41-N43 PolarHBondContact ND1-N 3.13Å; H41-N43 PolarHBondContact O-N 2.81Å
44A79.7Confident83.6Confident6 Ų631.4 Ų31.45%0.0518%0.175CC..  trans-89.9117.1-178.700000109.8S39 H41 A42 V112S39-A44 WeakPolarHBondContact CB-O 3.48Å; H41-A44 HydrophobicContact CB-CB 4.14Å; H41-A44 WeakPolarHBondContact O-CB 3.47Å; H41-A44 PolarHBondContact O-N 3.48Å; A42-A44 VanDerWaalsContact C-N 3.32Å; A44-V112 HydrophobicContact CB-CG1 4.06Å
45D78.6Confident82.7Confident85 Ų8532.4 Ų32.446%0.45519%0.186SC..  trans-97.1108.8-178.4-179.523.5000111.1G47 A48 V49 Q143D45-G47 PolarHBondContact O-N 2.78Å; D45-G47 WeakPolarHBondContact OD1-CA 3.24Å; D45-G47 PolarHBondContact OD1-N 3.3Å; D45-A48 HydrophobicContact CB-CB 4.15Å; D45-A48 PolarHBondContact O-N 3.37Å; D45-A48 PolarHBondContact OD2-N 3.39Å; D45-V49 PolarHBondContact O-N 2.91Å; D45-Q143 VanDerWaalsContact N-OE1 3.1Å; D45-Q143 PolarHBondContact O-NE2 3.01Å; D45-Q143 PolarHBondContact O-OE1 2.51Å
46A77.8Confident81.2Confident3 Ų340.8 Ų40.83%0.02523%0.225CC..Hα-helixtrans-66-25.8172.700000112.4V37 V49 S50 N90V37-A46 HydrophobicContact CG1-CB 4.04Å; A46-V49 PolarHBondContact O-N 2.82Å; A46-S50 PolarHBondContact O-N 2.88Å; A46-N90 WeakPolarHBondContact CB-OD1 3.01Å
47G78.1Confident79.6Confident9 Ų943.1 Ų43.19%0.09325%0.25CS..Hα-helixtrans-61.1-45.4172.900000111.9D45 V49 S50 K51D45-G47 PolarHBondContact O-N 2.78Å; D45-G47 WeakPolarHBondContact OD1-CA 3.24Å; D45-G47 PolarHBondContact OD1-N 3.3Å; G47-V49 PolarHBondContact O-N 2.69Å; G47-S50 PolarHBondContact O-N 2.9Å; G47-S50 PolarHBondContact O-OG 3.05Å; G47-K51 WeakPolarHBondContact O-CG 3.46Å; G47-K51 PolarHBondContact O-N 3.49Å
48A79.6Confident78.1Confident35 Ų3543.1 Ų43.129%0.28925%0.25SS..Hα-helixtrans-59.5-41.3174.300000113D45 S50 K51 L52D45-A48 HydrophobicContact CB-CB 4.15Å; D45-A48 PolarHBondContact O-N 3.37Å; D45-A48 PolarHBondContact OD2-N 3.39Å; A48-S50 VanDerWaalsContact C-N 3.34Å; A48-S50 PolarHBondContact O-N 2.89Å; A48-K51 PolarHBondContact O-N 3.5Å; A48-L52 PolarHBondContact O-N 2.94Å; A48-L52 VanDerWaalsContact O-N 3.11Å
49V80.4Confident76.5Confident0 Ų044.5 Ų44.50%027%0.265CS..Hα-helixtrans-60.4-46.7173.5179.30000110.6V37 D45 A46 G47 K51 L52 L53 V112 Q143 L176V37-V49 HydrophobicContact CG1-CB 4.39Å; V37-V49 HydrophobicContact CG1-CG1 4.32Å; D45-V49 PolarHBondContact O-N 2.91Å; A46-V49 PolarHBondContact O-N 2.82Å; G47-V49 PolarHBondContact O-N 2.69Å; V49-K51 VanDerWaalsContact C-N 3.28Å; V49-K51 PolarHBondContact O-N 2.9Å; V49-L52 PolarHBondContact O-N 3.3Å; V49-L53 HydrophobicContact CG1-CD1 3.84Å; V49-L53 HydrophobicContact CG1-CG 4.26Å; V49-L53 WeakPolarHBondContact O-CG 3.27Å; V49-L53 PolarHBondContact O-N 2.91Å; V49-V112 HydrophobicContact CG2-CG1 4.05Å; V49-V112 HydrophobicContact CG2-CG2 3.79Å; V49-Q143 HydrophobicContact CG2-CG 4.33Å; V49-L176 HydrophobicContact CG1-CD1 3.62Å; V49-L176 HydrophobicContact CG2-CD1 4.29Å
50S79.5Confident75.2Confident8 Ų844.3 Ų44.36%0.05627%0.265CS..Hα-helixtrans-61.5-38.1-178.879.10000111.9A46 G47 A48 L53 R54A46-S50 PolarHBondContact O-N 2.88Å; G47-S50 PolarHBondContact O-N 2.9Å; G47-S50 PolarHBondContact O-OG 3.05Å; A48-S50 VanDerWaalsContact C-N 3.34Å; A48-S50 PolarHBondContact O-N 2.89Å; S50-L53 PolarHBondContact O-N 2.66Å; S50-R54 VanDerWaalsContact O-CG 3.29Å; S50-R54 WeakPolarHBondContact O-CG 3.39Å; S50-R54 PolarHBondContact O-N 3Å; S50-R54 VanDerWaalsContact O-N 3.09Å
51K81.9Confident73.9Confident150 Ų15048.8 Ų48.865%0.65229%0.293SS*.Hα-helixtrans-64.9-44.1176-71.7172.6-175.4170.30112.2G47 A48 V49 L53 R54 G55G47-K51 WeakPolarHBondContact O-CG 3.46Å; G47-K51 PolarHBondContact O-N 3.49Å; A48-K51 PolarHBondContact O-N 3.5Å; V49-K51 VanDerWaalsContact C-N 3.28Å; V49-K51 PolarHBondContact O-N 2.9Å; K51-L53 VanDerWaalsContact C-N 3.32Å; K51-L53 PolarHBondContact O-N 2.9Å; K51-R54 PolarHBondContact O-N 2.91Å; K51-G55 PolarHBondContact O-N 3.01Å
52L81.3Confident72.5Confident52 Ų5250 Ų5027%0.27230%0.301SS..Hα-helixtrans-63.5-38.5176.3-71.9172.1000111.9A48 V49 R54 G55 L176A48-L52 PolarHBondContact O-N 2.94Å; A48-L52 VanDerWaalsContact O-N 3.11Å; V49-L52 PolarHBondContact O-N 3.3Å; L52-R54 VanDerWaalsContact C-N 3.27Å; L52-R54 PolarHBondContact O-N 3.41Å; L52-G55 PolarHBondContact O-N 3.16Å; L52-L176 WeakPolarHBondContact CD1-O 3.31Å
53L79.1Confident71.6Confident3 Ų350 Ų502%0.01629%0.288CS..Hα-helixtrans-69.3-23.7176.3-69173.7000113.5V49 S50 K51 F75 F88 A182 L186V49-L53 HydrophobicContact CG1-CD1 3.84Å; V49-L53 HydrophobicContact CG1-CG 4.26Å; V49-L53 WeakPolarHBondContact O-CG 3.27Å; V49-L53 PolarHBondContact O-N 2.91Å; S50-L53 PolarHBondContact O-N 2.66Å; K51-L53 VanDerWaalsContact C-N 3.32Å; K51-L53 PolarHBondContact O-N 2.9Å; L53-F75 HydrophobicContact CB-CZ 3.97Å; L53-F88 HydrophobicContact CD1-CD1 3.96Å; L53-F88 HydrophobicContact CD1-CE1 3.76Å; L53-F88 HydrophobicContact CD1-CZ 4.19Å; L53-A182 HydrophobicContact CD2-CB 4.25Å; L53-L186 HydrophobicContact CD2-CD2 4.14Å; L53-L186 HydrophobicContact CD2-CG 4.16Å
54R75.9Confident70.8Confident66 Ų6646.6 Ų46.625%0.24927%0.27CS..Hα-helixtrans-80.6-13.7173.4-71175.7-164.9-15811.2113.4S50 K51 L52 E56 H63 E65 F75S50-R54 VanDerWaalsContact O-CG 3.29Å; S50-R54 WeakPolarHBondContact O-CG 3.39Å; S50-R54 PolarHBondContact O-N 3Å; S50-R54 VanDerWaalsContact O-N 3.09Å; K51-R54 PolarHBondContact O-N 2.91Å; L52-R54 VanDerWaalsContact C-N 3.27Å; L52-R54 PolarHBondContact O-N 3.41Å; R54-E56 PolarHBondContact O-N 3.21Å; R54-H63 PolarHBondContact O-NE2 3.45Å; R54-E65 IonicContact NH1-OE1 3.31Å; R54-E65 PolarHBondContact NH1-OE1 3.29Å; R54-F75 HydrophobicContact CG-CD1 4.46Å; R54-F75 HydrophobicContact CG-CD2 4.13Å; R54-F75 HydrophobicContact CG-CE1 4.31Å; R54-F75 HydrophobicContact CG-CE2 3.95Å; R54-F75 HydrophobicContact CG-CG 4.38Å; R54-F75 HydrophobicContact CG-CZ 4.05Å
55G70.2Confident69.8Low23 Ų2352.3 Ų52.324%0.23730%0.295CS..SBendtrans-60.8135.4-177.900000112.3K51 L52 G57 A58K51-G55 PolarHBondContact O-N 3.01Å; L52-G55 PolarHBondContact O-N 3.16Å; G55-G57 PolarHBondContact O-N 3.33Å; G55-G57 VanDerWaalsContact O-N 3.09Å; G55-A58 WeakPolarHBondContact O-CB 3.48Å; G55-A58 PolarHBondContact O-N 3.01Å
56E60.9Low69Low175 Ų17557.2 Ų57.282%0.81831%0.308SS*.G310 helixtrans-57-27.2178.2-69.2-175162.800112.6R54 A58 G59R54-E56 PolarHBondContact O-N 3.21Å; E56-A58 PolarHBondContact O-N 3.06Å; E56-G59 PolarHBondContact O-N 3.23Å; E56-G59 VanDerWaalsContact O-N 3.09Å
57G57.3Low68.1Low51 Ų5157.3 Ų57.353%0.52631%0.308SS..G310 helixtrans-61.2-22.6174.800000114.8G55 G59G55-G57 PolarHBondContact O-N 3.33Å; G55-G57 VanDerWaalsContact O-N 3.09Å; G57-G59 VanDerWaalsContact C-N 3.26Å; G57-G59 PolarHBondContact O-N 3.43Å
58A59.4Low67.4Low3 Ų357 Ų573%0.02530%0.304CS..G310 helixtrans-78.7-6.2176.300000113.5G55 E56 L186G55-A58 WeakPolarHBondContact O-CB 3.48Å; G55-A58 PolarHBondContact O-N 3.01Å; E56-A58 PolarHBondContact O-N 3.06Å; A58-L186 HydrophobicContact CB-CD1 4.09Å
59G55.8Low66.4Low31 Ų3156.8 Ų56.832%0.3230%0.301SS..  trans83.619.8174.100000115.5E56 G57E56-G59 PolarHBondContact O-N 3.23Å; E56-G59 VanDerWaalsContact O-N 3.09Å; G57-G59 VanDerWaalsContact C-N 3.26Å; G57-G59 PolarHBondContact O-N 3.43Å
60G62.3Low65.2Low11 Ų1158.1 Ų58.111%0.11331%0.314CS..  trans-80.1135.6172.100000112.4I78G60-I78 WeakPolarHBondContact CA-O 3.38Å
61V60.2Low64.4Low97 Ų9758.2 Ų58.259%0.58832%0.315SS*.  trans-104.7-29.9-1771780000112.9I78 P80V61-I78 PolarHBondContact N-O 3.17Å; V61-I78 VanDerWaalsContact N-O 3.08Å; V61-P80 HydrophobicContact CB-CG 4.12Å; V61-P80 HydrophobicContact CG2-CG 3.69Å
62V60.2Low63.3Low42 Ų4253.3 Ų53.326%0.25531%0.307SS..EExtended strand (participates in β ladder)trans-132.6126.8-177.6-175.10000109.1I78 L274V62-I78 HydrophobicContact CB-CB 4.45Å; V62-I78 HydrophobicContact CB-CD1 4.15Å; V62-I78 HydrophobicContact CB-CG1 4.42Å; V62-I78 HydrophobicContact CG2-CD1 4.44Å; V62-I78 PolarHBondContact O-N 2.8Å; V62-L274 HydrophobicContact CG2-CD1 3.58Å; V62-L274 HydrophobicContact CG2-CG 4.48Å
63H63.9Low62.7Low71 Ų7154.7 Ų54.733%0.32931%0.314SS..EExtended strand (participates in β ladder)trans-115.7115.8173.4-57.697.3000108.3R54 G76 L77R54-H63 PolarHBondContact O-NE2 3.45Å; H63-G76 WeakPolarHBondContact CA-O 3.43Å; H63-L77 VanDerWaalsContact NE2-CD1 3.28Å; H63-L77 WeakPolarHBondContact NE2-CD1 3.49Å
64L63.8Low62.8Low57 Ų5754.5 Ų54.530%0.29831%0.313SS..EExtended strand (participates in β ladder)trans-99.1117.2164.9-177.465.7000107.1C67 F75 G76 P269 L270L64-C67 PolarHBondContact O-SG 3.09Å; L64-F75 CarbonylContact O-C 3.54Å; L64-F75 WeakPolarHBondContact O-CA 3.43Å; L64-F75 WeakPolarHBondContact O-CB 3.45Å; L64-G76 PolarHBondContact N-O 3.31Å; L64-G76 PolarHBondContact O-N 2.87Å; L64-P269 HydrophobicContact CD2-CB 4.34Å; L64-L270 HydrophobicContact CB-CD2 3.92Å; L64-L270 HydrophobicContact CD2-CD2 4.41Å; L64-L270 HydrophobicContact CD2-CG 4.43Å
65E59Low63.1Low126 Ų12651.5 Ų51.559%0.58930%0.302SS*.EExtended strand (participates in β ladder)trans-83146.9175.3-60.3-164.114600110.3R54R54-E65 IonicContact NH1-OE1 3.31Å; R54-E65 PolarHBondContact NH1-OE1 3.29Å
66R63.1Low63.7Low189 Ų18950.4 Ų50.471%0.71329%0.291SS*.  trans57.148.5-178.3-57.9177.7179.7170.5-0.3112.7V68 S74R66-V68 PolarHBondContact O-N 2.85Å; R66-S74 WeakPolarHBondContact CA-O 3.46Å; R66-S74 WeakPolarHBondContact CA-OG 3.42Å; R66-S74 PolarHBondContact N-O 3.36Å
67C58.1Low64.8Low4 Ų442.1 Ų42.13%0.02725%0.252CS..  trans-60.7-29.3174.3-71.30000112.6L64 S74 G76 T87 E209L64-C67 PolarHBondContact O-SG 3.09Å; C67-S74 PolarHBondContact N-OG 3.39Å; C67-G76 PolarHBondContact SG-N 2.9Å; C67-T87 HydrophobicContact CB-CG2 4.36Å; C67-E209 CarbonylContact O-C 3.59Å; C67-E209 WeakPolarHBondContact O-CA 3.46Å; C67-E209 WeakPolarHBondContact O-CB 3.34Å; C67-E209 VanDerWaalsContact O-CG 3.23Å; C67-E209 WeakPolarHBondContact O-CG 3.37Å
68V63Low66.1Low2 Ų240.1 Ų40.11%0.01223%0.229CC..SBendtrans-112.7119.4-178.6175.40000109.8R66 G70 V71 S74 L89 L207 A208 E209R66-V68 PolarHBondContact O-N 2.85Å; V68-G70 PolarHBondContact O-N 2.87Å; V68-V71 HydrophobicContact CB-CB 4.48Å; V68-V71 HydrophobicContact CG1-CB 4.31Å; V68-V71 HydrophobicContact CG1-CG2 4.11Å; V68-V71 PolarHBondContact O-N 2.89Å; V68-S74 PolarHBondContact N-OG 3.04Å; V68-S74 PolarHBondContact O-OG 3.28Å; V68-L89 HydrophobicContact CB-CD2 3.92Å; V68-L89 HydrophobicContact CG1-CD2 4.47Å; V68-L89 HydrophobicContact CG2-CD2 3.46Å; V68-L89 VanDerWaalsContact CG2-CD2 3.46Å; V68-L207 HydrophobicContact CG1-CD2 4.39Å; V68-L207 HydrophobicContact CG1-CG 4.41Å; V68-L207 HydrophobicContact CG2-CD2 3.75Å; V68-L207 HydrophobicContact CG2-CG 4.33Å; V68-A208 WeakPolarHBondContact CG1-O 3.29Å; V68-E209 HydrophobicContact CG2-CG 4.43Å
69S58.1Low67.2Low32 Ų3240 Ų4022%0.22423%0.228CC..THydrogen-bonded Turntrans-60.4129.1174.9-68.60000110E209 R210 V211S69-E209 WeakPolarHBondContact CB-O 3.48Å; S69-E209 PolarHBondContact N-O 3.37Å; S69-E209 PolarHBondContact OG-O 2.79Å; S69-R210 WeakPolarHBondContact OG-CA 3.09Å; S69-V211 PolarHBondContact OG-N 2.87Å
70G56.2Low68.3Low27 Ų2741.3 Ų41.328%0.27823%0.231SC..THydrogen-bonded Turntrans95.5-40.5-174.600000113.8V68 G72 V548 G551V68-G70 PolarHBondContact O-N 2.87Å; G70-G72 PolarHBondContact O-N 3.34Å; G70-V548 WeakPolarHBondContact CA-O 3.26Å; G70-G551 CarbonylContact C-O 3.58Å; G70-G551 CarbonylContact O-C 3.59Å; G70-G551 WeakPolarHBondContact O-CA 3.37Å
71V62.7Low69.1Low11 Ų1150 Ų507%0.06726%0.26CS..  trans-90.597.8179.9-174.60000110V68 D73 S74 N90 Q91 P553V68-V71 HydrophobicContact CB-CB 4.48Å; V68-V71 HydrophobicContact CG1-CB 4.31Å; V68-V71 HydrophobicContact CG1-CG2 4.11Å; V68-V71 PolarHBondContact O-N 2.89Å; V71-D73 PolarHBondContact O-N 3.37Å; V71-D73 VanDerWaalsContact O-N 3.17Å; V71-S74 WeakPolarHBondContact O-CB 3.44Å; V71-S74 PolarHBondContact O-N 3.19Å; V71-S74 PolarHBondContact O-OG 2.99Å; V71-N90 WeakPolarHBondContact CG1-O 3.42Å; V71-Q91 VanDerWaalsContact CG2-NE2 3.3Å; V71-P553 HydrophobicContact CG2-CB 3.99Å; V71-P553 HydrophobicContact CG2-CG 4.45Å
72G59.4Low70Confident47 Ų4747.6 Ų47.649%0.48524%0.242SC..THydrogen-bonded Turntrans-56.6-30.6-176.400000115.1G70G70-G72 PolarHBondContact O-N 3.34Å
73D68.4Low71.1Confident80 Ų8053 Ų5343%0.42826%0.262SS..THydrogen-bonded Turntrans-97.917.4-177.2-76.6-12.1000114.2V71 N90V71-D73 PolarHBondContact O-N 3.37Å; V71-D73 VanDerWaalsContact O-N 3.17Å; D73-N90 HydrophobicContact CB-CB 3.82Å; D73-N90 PolarHBondContact OD2-ND2 2.83Å
74S80.4Confident72.1Confident0 Ų051.7 Ų51.70%026%0.256CS..  trans-78.5139.7174.9600000111.9R66 C67 V68 V71 F88R66-S74 WeakPolarHBondContact CA-O 3.46Å; R66-S74 WeakPolarHBondContact CA-OG 3.42Å; R66-S74 PolarHBondContact N-O 3.36Å; C67-S74 PolarHBondContact N-OG 3.39Å; V68-S74 PolarHBondContact N-OG 3.04Å; V68-S74 PolarHBondContact O-OG 3.28Å; V71-S74 WeakPolarHBondContact O-CB 3.44Å; V71-S74 PolarHBondContact O-N 3.19Å; V71-S74 PolarHBondContact O-OG 2.99Å; S74-F88 WeakPolarHBondContact CA-O 3.42Å
75F82.5Confident73.3Confident3 Ų349.1 Ų49.11%0.01324%0.243CC..EExtended strand (participates in β ladder)trans-146.7147.1173.869.9-82.3000113.4L53 R54 L64 L77 F88L53-F75 HydrophobicContact CB-CZ 3.97Å; R54-F75 HydrophobicContact CG-CD1 4.46Å; R54-F75 HydrophobicContact CG-CD2 4.13Å; R54-F75 HydrophobicContact CG-CE1 4.31Å; R54-F75 HydrophobicContact CG-CE2 3.95Å; R54-F75 HydrophobicContact CG-CG 4.38Å; R54-F75 HydrophobicContact CG-CZ 4.05Å; L64-F75 CarbonylContact O-C 3.54Å; L64-F75 WeakPolarHBondContact O-CA 3.43Å; L64-F75 WeakPolarHBondContact O-CB 3.45Å; F75-L77 HydrophobicContact CD2-CB 4.34Å; F75-L77 HydrophobicContact CE2-CB 4.12Å; F75-F88 HydrophobicContact CD1-CB 3.92Å; F75-F88 HydrophobicContact CD2-CD2 4.38Å; F75-F88 HydrophobicContact CE1-CB 3.46Å; F75-F88 VanDerWaalsContact CE1-CB 3.46Å; F75-F88 HydrophobicContact CE1-CD2 4.35Å; F75-F88 HydrophobicContact CE1-CG 4.08Å; F75-F88 HydrophobicContact CE2-CB 4.17Å; F75-F88 AromaticContact CE2-CD2 3.62Å; F75-F88 HydrophobicContact CE2-CD2 3.62Å; F75-F88 HydrophobicContact CE2-CE2 4.43Å; F75-F88 HydrophobicContact CE2-CG 4.18Å; F75-F88 HydrophobicContact CG-CB 4.44Å; F75-F88 HydrophobicContact CZ-CB 3.61Å; F75-F88 AromaticContact CZ-CD2 3.6Å; F75-F88 HydrophobicContact CZ-CD2 3.6Å; F75-F88 HydrophobicContact CZ-CE2 4.49Å; F75-F88 AromaticContact CZ-CG 3.71Å; F75-F88 HydrophobicContact CZ-CG 3.71Å; F75-F88 PolarHBondContact N-O 3.48Å; F75-F88 PolarHBondContact O-N 2.81Å
76G82.8Confident74.7Confident0 Ų043.2 Ų43.20%022%0.215CC..EExtended strand (participates in β ladder)trans-92.9132.7172.300000110H63 L64 C67 F86H63-G76 WeakPolarHBondContact CA-O 3.43Å; L64-G76 PolarHBondContact N-O 3.31Å; L64-G76 PolarHBondContact O-N 2.87Å; C67-G76 PolarHBondContact SG-N 2.9Å; G76-F86 CarbonylContact C-O 3.55Å; G76-F86 WeakPolarHBondContact CA-O 3.08Å
77L84.9Confident75.9Confident1 Ų134.2 Ų34.21%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-124.2122.7178.5-179.972.9000109.8H63 F75 V79 F86 F88 L186H63-L77 VanDerWaalsContact NE2-CD1 3.28Å; H63-L77 WeakPolarHBondContact NE2-CD1 3.49Å; F75-L77 HydrophobicContact CD2-CB 4.34Å; F75-L77 HydrophobicContact CE2-CB 4.12Å; L77-V79 HydrophobicContact CD2-CG2 3.83Å; L77-V79 HydrophobicContact CG-CG2 3.9Å; L77-F86 HydrophobicContact CB-CB 4.27Å; L77-F86 PolarHBondContact N-O 3.34Å; L77-F86 PolarHBondContact O-N 3.28Å; L77-F88 HydrophobicContact CB-CD2 4.26Å; L77-F88 HydrophobicContact CB-CE2 4.17Å; L77-F88 HydrophobicContact CD2-CE2 3.84Å; L77-L186 HydrophobicContact CD2-CD1 3.95Å; L77-L186 HydrophobicContact CD2-CD2 3.96Å
78I83.1Confident77.3Confident8 Ų834.2 Ų34.24%0.04118%0.18CC..EExtended strand (participates in β ladder)trans-104.3124.3171.7-56.3179.8000108.8G60 V61 V62 P80 L270 P271 L272G60-I78 WeakPolarHBondContact CA-O 3.38Å; V61-I78 PolarHBondContact N-O 3.17Å; V61-I78 VanDerWaalsContact N-O 3.08Å; V62-I78 HydrophobicContact CB-CB 4.45Å; V62-I78 HydrophobicContact CB-CD1 4.15Å; V62-I78 HydrophobicContact CB-CG1 4.42Å; V62-I78 HydrophobicContact CG2-CD1 4.44Å; V62-I78 PolarHBondContact O-N 2.8Å; I78-P80 HydrophobicContact CG2-CG 4.38Å; I78-P80 WeakPolarHBondContact O-CD 3.46Å; I78-L270 HydrophobicContact CD1-CB 4.43Å; I78-L270 HydrophobicContact CD1-CD2 4.25Å; I78-P271 WeakPolarHBondContact CD1-O 3.36Å; I78-L272 HydrophobicContact CG2-CD1 4.05Å
79V83.1Confident78.4Confident0 Ų034.1 Ų34.10%018%0.18CC..EExtended strand (participates in β ladder)trans-114.991.1176.8-171.40000109.6L77 R81 F82 K83 Q84 F86 L186L77-V79 HydrophobicContact CD2-CG2 3.83Å; L77-V79 HydrophobicContact CG-CG2 3.9Å; V79-R81 HydrophobicContact CG1-CB 4.24Å; V79-R81 PolarHBondContact O-N 3.4Å; V79-F82 HydrophobicContact CB-CD2 4.15Å; V79-F82 HydrophobicContact CG1-CB 4.26Å; V79-F82 HydrophobicContact CG1-CD2 3.37Å; V79-F82 HydrophobicContact CG1-CE2 3.92Å; V79-F82 HydrophobicContact CG1-CG 4.04Å; V79-F82 PolarHBondContact O-N 2.84Å; V79-F82 VanDerWaalsContact O-N 3.14Å; V79-K83 PolarHBondContact O-N 3.43Å; V79-Q84 PolarHBondContact N-O 3.4Å; V79-Q84 PolarHBondContact O-N 3.26Å; V79-F86 HydrophobicContact CG2-CD2 4.22Å; V79-F86 HydrophobicContact CG2-CE2 4.31Å; V79-L186 HydrophobicContact CG2-CD1 4.48Å
80P78.8Confident79.7Confident60 Ų6033.9 Ų33.939%0.3918%0.176SC..THydrogen-bonded Turntrans-60.5-30.8-178.5-25.736.3000113.3V61 I78 F82 K83V61-P80 HydrophobicContact CB-CG 4.12Å; V61-P80 HydrophobicContact CG2-CG 3.69Å; I78-P80 HydrophobicContact CG2-CG 4.38Å; I78-P80 WeakPolarHBondContact O-CD 3.46Å; P80-F82 VanDerWaalsContact C-N 3.27Å; P80-F82 PolarHBondContact O-N 2.96Å; P80-K83 WeakPolarHBondContact O-CG 3.49Å; P80-K83 PolarHBondContact O-N 2.97Å
81R79.8Confident80.8Confident192 Ų19233.2 Ų33.273%0.72517%0.166SC*.THydrogen-bonded Turntrans-57.6-39.4176.7-176.1-179176.3-172.20.9112.4V79V79-R81 HydrophobicContact CG1-CB 4.24Å; V79-R81 PolarHBondContact O-N 3.4Å
82F78.4Confident81.5Confident48 Ų4835.5 Ų35.521%0.21118%0.182CC..THydrogen-bonded Turntrans-95.5-5.1177.4-56.8-44.8000112.7V79 P80 Q84 T183 L186 R187V79-F82 HydrophobicContact CB-CD2 4.15Å; V79-F82 HydrophobicContact CG1-CB 4.26Å; V79-F82 HydrophobicContact CG1-CD2 3.37Å; V79-F82 HydrophobicContact CG1-CE2 3.92Å; V79-F82 HydrophobicContact CG1-CG 4.04Å; V79-F82 PolarHBondContact O-N 2.84Å; V79-F82 VanDerWaalsContact O-N 3.14Å; P80-F82 VanDerWaalsContact C-N 3.27Å; P80-F82 PolarHBondContact O-N 2.96Å; F82-Q84 HydrophobicContact CB-CB 4.3Å; F82-Q84 PolarHBondContact O-N 3.32Å; F82-T183 HydrophobicContact CE2-CG2 4.26Å; F82-T183 HydrophobicContact CZ-CG2 3.91Å; F82-L186 HydrophobicContact CE2-CB 4.39Å; F82-R187 HydrophobicContact CE1-CB 4.35Å; F82-R187 HydrophobicContact CE1-CG 4.33Å; F82-R187 HydrophobicContact CE2-CB 4.36Å; F82-R187 HydrophobicContact CZ-CB 4.02Å; F82-R187 HydrophobicContact CZ-CG 4.49Å
83K83.9Confident82.3Confident156 Ų15634.1 Ų34.168%0.67816%0.164SC*.THydrogen-bonded Turntrans53.240.5-172.6-59.1-179.2178.6-178.20111.7V79 P80 L272V79-K83 PolarHBondContact O-N 3.43Å; P80-K83 WeakPolarHBondContact O-CG 3.49Å; P80-K83 PolarHBondContact O-N 2.97Å; K83-L272 HydrophobicContact CB-CD2 4.39Å
84Q85.5Confident82.5Confident42 Ų4233.9 Ų33.920%0.19616%0.163CC..EExtended strand (participates in β ladder)trans-128.1145-174.6-77.7179.1-31.900112.6G26 V79 F82 F86 G190G26-Q84 VanDerWaalsContact O-CA 3.28Å; G26-Q84 WeakPolarHBondContact O-CA 3.44Å; V79-Q84 PolarHBondContact N-O 3.4Å; V79-Q84 PolarHBondContact O-N 3.26Å; F82-Q84 HydrophobicContact CB-CB 4.3Å; F82-Q84 PolarHBondContact O-N 3.32Å; Q84-F86 HydrophobicContact CB-CD2 4.47Å; Q84-F86 HydrophobicContact CB-CE2 3.7Å; Q84-F86 HydrophobicContact CB-CZ 4.04Å; Q84-G190 PolarHBondContact NE2-O 3.14Å
85R87.4Confident82.6Confident4 Ų435.2 Ų35.22%0.01517%0.17CC..EExtended strand (participates in β ladder)trans-109134.8174.7-56.9-171.9-78.9-179.4-2109.4G26 S27 R28 G30 P32 H33 D268 L270 L272G26-R85 PolarHBondContact O-N 2.9Å; G26-R85 VanDerWaalsContact O-N 3.14Å; S27-R85 PolarHBondContact O-NE 3.19Å; S27-R85 PolarHBondContact O-NH2 2.69Å; R28-R85 PolarHBondContact O-NH2 3.05Å; G30-R85 PolarHBondContact O-NH2 2.91Å; P32-R85 HydrophobicContact CB-CB 4.19Å; H33-R85 WeakPolarHBondContact CB-O 3.35Å; H33-R85 PolarHBondContact N-O 2.81Å; R85-D268 IonicContact CZ-OD2 2.69Å; R85-D268 IonicContact NH1-OD2 3.74Å; R85-D268 PolarHBondContact NH1-OD2 2.94Å; R85-L270 WeakPolarHBondContact CD-O 3.02Å; R85-L270 PolarHBondContact NH1-O 3.47Å; R85-L272 HydrophobicContact CG-CB 4.18Å; R85-L272 HydrophobicContact CG-CD1 3.81Å
86F88.3Confident82.7Confident2 Ų235.4 Ų35.41%0.00917%0.171CC..EExtended strand (participates in β ladder)trans-126.5145.2177.7-63.9-85.5000110.1H33 V35 G76 L77 V79 Q84 F88 L189H33-F86 HydrophobicContact CB-CD1 3.64Å; H33-F86 HydrophobicContact CB-CE1 3.93Å; H33-F86 HydrophobicContact CB-CG 4.41Å; H33-F86 AromaticContact CD2-CD1 3.64Å; H33-F86 AromaticContact CD2-CE1 3.62Å; H33-F86 AromaticContact CG-CD1 3.97Å; H33-F86 AromaticContact CG-CE1 3.96Å; H33-F86 CarbonylContact O-C 3.55Å; H33-F86 WeakPolarHBondContact O-CA 3.23Å; V35-F86 HydrophobicContact CG2-CD1 4.19Å; G76-F86 CarbonylContact C-O 3.55Å; G76-F86 WeakPolarHBondContact CA-O 3.08Å; L77-F86 HydrophobicContact CB-CB 4.27Å; L77-F86 PolarHBondContact N-O 3.34Å; L77-F86 PolarHBondContact O-N 3.28Å; V79-F86 HydrophobicContact CG2-CD2 4.22Å; V79-F86 HydrophobicContact CG2-CE2 4.31Å; Q84-F86 HydrophobicContact CB-CD2 4.47Å; Q84-F86 HydrophobicContact CB-CE2 3.7Å; Q84-F86 HydrophobicContact CB-CZ 4.04Å; F86-F88 HydrophobicContact CB-CD2 4.1Å; F86-F88 HydrophobicContact CB-CE2 3.52Å; F86-F88 HydrophobicContact CB-CZ 4.15Å; F86-F88 HydrophobicContact CD1-CZ 4.37Å; F86-F88 HydrophobicContact CG-CE2 4.1Å; F86-F88 HydrophobicContact CG-CZ 4.35Å; F86-L189 HydrophobicContact CE1-CB 4.15Å
87T88.8Confident82.9Confident0 Ų035.9 Ų35.90%017%0.173CC..EExtended strand (participates in β ladder)trans-122117.1165.3-57.30000106.7P32 H33 L34 V35 C67 L89P32-T87 VanDerWaalsContact CB-OG1 3.26Å; P32-T87 WeakPolarHBondContact CB-OG1 3.38Å; H33-T87 PolarHBondContact O-N 3.03Å; L34-T87 HydrophobicContact CD1-CG2 4.01Å; V35-T87 PolarHBondContact N-O 2.89Å; C67-T87 HydrophobicContact CB-CG2 4.36Å; T87-L89 HydrophobicContact CG2-CD2 4.43Å
88F88.6Confident83Confident3 Ų336.2 Ų36.21%0.01318%0.176CC..EExtended strand (participates in β ladder)trans-98.4135.5178.1-73-83.3000110.3V35 V37 L53 S74 F75 L77 F86 L186 L189V35-F88 HydrophobicContact CB-CD1 3.63Å; V35-F88 HydrophobicContact CB-CE1 3.6Å; V35-F88 HydrophobicContact CB-CG 4.47Å; V35-F88 HydrophobicContact CB-CZ 4.43Å; V35-F88 HydrophobicContact CG1-CD1 3.84Å; V35-F88 HydrophobicContact CG1-CE1 3.65Å; V35-F88 HydrophobicContact CG2-CD1 4.36Å; V35-F88 HydrophobicContact CG2-CE1 3.91Å; V35-F88 HydrophobicContact CG2-CZ 4.31Å; V35-F88 CarbonylContact O-C 3.48Å; V35-F88 WeakPolarHBondContact O-CA 3.23Å; V37-F88 HydrophobicContact CG2-CD1 4.27Å; L53-F88 HydrophobicContact CD1-CD1 3.96Å; L53-F88 HydrophobicContact CD1-CE1 3.76Å; L53-F88 HydrophobicContact CD1-CZ 4.19Å; S74-F88 WeakPolarHBondContact CA-O 3.42Å; F75-F88 HydrophobicContact CD1-CB 3.92Å; F75-F88 HydrophobicContact CD2-CD2 4.38Å; F75-F88 HydrophobicContact CE1-CB 3.46Å; F75-F88 VanDerWaalsContact CE1-CB 3.46Å; F75-F88 HydrophobicContact CE1-CD2 4.35Å; F75-F88 HydrophobicContact CE1-CG 4.08Å; F75-F88 HydrophobicContact CE2-CB 4.17Å; F75-F88 AromaticContact CE2-CD2 3.62Å; F75-F88 HydrophobicContact CE2-CD2 3.62Å; F75-F88 HydrophobicContact CE2-CE2 4.43Å; F75-F88 HydrophobicContact CE2-CG 4.18Å; F75-F88 HydrophobicContact CG-CB 4.44Å; F75-F88 HydrophobicContact CZ-CB 3.61Å; F75-F88 AromaticContact CZ-CD2 3.6Å; F75-F88 HydrophobicContact CZ-CD2 3.6Å; F75-F88 HydrophobicContact CZ-CE2 4.49Å; F75-F88 AromaticContact CZ-CG 3.71Å; F75-F88 HydrophobicContact CZ-CG 3.71Å; F75-F88 PolarHBondContact N-O 3.48Å; F75-F88 PolarHBondContact O-N 2.81Å; L77-F88 HydrophobicContact CB-CD2 4.26Å; L77-F88 HydrophobicContact CB-CE2 4.17Å; L77-F88 HydrophobicContact CD2-CE2 3.84Å; F86-F88 HydrophobicContact CB-CD2 4.1Å; F86-F88 HydrophobicContact CB-CE2 3.52Å; F86-F88 HydrophobicContact CB-CZ 4.15Å; F86-F88 HydrophobicContact CD1-CZ 4.37Å; F86-F88 HydrophobicContact CG-CE2 4.1Å; F86-F88 HydrophobicContact CG-CZ 4.35Å; F88-L186 HydrophobicContact CE2-CD2 3.98Å; F88-L186 HydrophobicContact CZ-CD2 3.51Å; F88-L189 HydrophobicContact CE1-CD1 4.28Å; F88-L189 HydrophobicContact CZ-CD1 4.45Å
89L86.2Confident83.3Confident1 Ų136 Ų361%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-122.1125.2172.9-55177.8000108.9L34 V35 A36 V37 V68 T87 V102 L207L34-L89 HydrophobicContact CD1-CD1 3.69Å; L34-L89 HydrophobicContact CD1-CG 3.9Å; L34-L89 HydrophobicContact CG-CD1 4.42Å; V35-L89 PolarHBondContact O-N 3.28Å; A36-L89 CarbonylContact C-O 3.45Å; A36-L89 WeakPolarHBondContact CA-O 3.15Å; V37-L89 PolarHBondContact N-O 3.13Å; V68-L89 HydrophobicContact CB-CD2 3.92Å; V68-L89 HydrophobicContact CG1-CD2 4.47Å; V68-L89 HydrophobicContact CG2-CD2 3.46Å; V68-L89 VanDerWaalsContact CG2-CD2 3.46Å; T87-L89 HydrophobicContact CG2-CD2 4.43Å; L89-V102 HydrophobicContact CD1-CG1 3.69Å; L89-V102 HydrophobicContact CD1-CG2 4.47Å; L89-L207 HydrophobicContact CD1-CD2 3.68Å
90N84.4Confident83.6Confident27 Ų2736.1 Ų36.114%0.14418%0.176CC..EExtended strand (participates in β ladder)trans-85.7131.1163.6-172.111.5000108.4A46 V71 D73A46-N90 WeakPolarHBondContact CB-OD1 3.01Å; V71-N90 WeakPolarHBondContact CG1-O 3.42Å; D73-N90 HydrophobicContact CB-CB 3.82Å; D73-N90 PolarHBondContact OD2-ND2 2.83Å
91Q79.1Confident84.2Confident12 Ų1233.4 Ų33.46%0.05616%0.158CC..EExtended strand (participates in β ladder)trans-128.2127.5172.7-67.2-62.5-65.100108.7V37 V71 L99 V102V37-Q91 PolarHBondContact O-N 3.17Å; V71-Q91 VanDerWaalsContact CG2-NE2 3.3Å; Q91-L99 HydrophobicContact CB-CD1 4.37Å; Q91-V102 HydrophobicContact CG-CB 4.07Å; Q91-V102 HydrophobicContact CG-CG1 4Å; Q91-V102 HydrophobicContact CG-CG2 3.99Å
92S77.1Confident84.6Confident59 Ų5924.4 Ų24.441%0.41312%0.124SC..  trans-71.2152.2170.369.10000109.8
93T75.9Confident85.2Confident18 Ų1822.3 Ų22.311%0.1112%0.116CC..SBendtrans-76.5-15.5171.441.70000112.4V38 S39 D95 L99 Y122V38-T93 HydrophobicContact CG1-CG2 4.03Å; S39-T93 WeakPolarHBondContact O-CG2 3.18Å; T93-D95 VanDerWaalsContact C-N 3.29Å; T93-D95 PolarHBondContact O-N 2.92Å; T93-L99 HydrophobicContact CG2-CD2 4.39Å; T93-Y122 WeakPolarHBondContact O-CE1 3.49Å; T93-Y122 PolarHBondContact O-OH 3.09Å
94D74.5Confident85.5Confident75 Ų7515.4 Ų15.440%0.4019%0.086SC..SBendtrans-62.9-33.9-177.1-51.1-27000112.5F763D94-F763 HydrophobicContact CB-CD2 4.03Å; D94-F763 HydrophobicContact CB-CE2 4.18Å; D94-F763 HydrophobicContact CB-CG 4.29Å; D94-F763 WeakPolarHBondContact OD1-CE2 3.3Å; D94-F763 WeakPolarHBondContact OD1-CZ 3.41Å
95D80.8Confident85.7Confident28 Ų2813.4 Ų13.415%0.158%0.077CC..  trans-103.991.3172.9-173.41.8000111.4T93 H97 S98 L99T93-D95 VanDerWaalsContact C-N 3.29Å; T93-D95 PolarHBondContact O-N 2.92Å; D95-H97 PolarHBondContact O-N 3.05Å; D95-H97 WeakPolarHBondContact OD1-CB 2.95Å; D95-H97 PolarHBondContact OD1-N 3.27Å; D95-H97 VanDerWaalsContact OD1-N 3.08Å; D95-S98 PolarHBondContact O-N 2.95Å; D95-S98 PolarHBondContact OD1-N 3.25Å; D95-S98 VanDerWaalsContact OD2-CB 3.26Å; D95-S98 WeakPolarHBondContact OD2-CB 3.17Å; D95-S98 PolarHBondContact OD2-OG 2.76Å; D95-L99 WeakPolarHBondContact O-CB 3.26Å; D95-L99 PolarHBondContact O-N 3.35Å
96M84.5Confident85.9Confident7 Ų713.2 Ų13.23%0.0348%0.076CC..Hα-helixtrans-58.2-33.1178.1-179.7164.559.100112.6L100 F643 Q651M96-L100 HydrophobicContact CG-CD1 3.89Å; M96-L100 HydrophobicContact CG-CG 4.16Å; M96-L100 WeakPolarHBondContact O-CB 3.33Å; M96-L100 WeakPolarHBondContact O-CG 3.4Å; M96-L100 PolarHBondContact O-N 2.8Å; M96-F643 HydrophobicContact CE-CD1 3.95Å; M96-F643 HydrophobicContact CE-CE1 3.52Å; M96-F643 HydrophobicContact CE-CZ 4.07Å; M96-F643 HydrophobicContact SD-CE1 3.81Å; M96-F643 HydrophobicContact SD-CZ 4.08Å; M96-Q651 HydrophobicContact CE-CB 3.85Å
97H87.2Confident86Confident10 Ų1013.7 Ų13.75%0.0468%0.078CC..Hα-helixtrans-68.6-45.5-179.4-79.7-37.1000111.8D95 L100 D101 H592 Q651 P761D95-H97 PolarHBondContact O-N 3.05Å; D95-H97 WeakPolarHBondContact OD1-CB 2.95Å; D95-H97 PolarHBondContact OD1-N 3.27Å; D95-H97 VanDerWaalsContact OD1-N 3.08Å; H97-L100 PolarHBondContact O-N 2.97Å; H97-D101 WeakPolarHBondContact O-CB 3.47Å; H97-D101 PolarHBondContact O-N 3.25Å; H97-H592 AromaticContact CE1-CE1 3.49Å; H97-H592 PolarHBondContact CE1-CE1 2.82Å; H97-H592 VanDerWaalsContact CE1-CE1 3.49Å; H97-H592 AromaticContact CE1-NE2 3.35Å; H97-H592 PolarHBondContact CE1-NE2 2.89Å; H97-H592 AromaticContact ND1-CE1 3.28Å; H97-H592 PolarHBondContact ND1-CE1 2.87Å; H97-H592 VanDerWaalsContact ND1-CE1 3.28Å; H97-H592 AromaticContact ND1-NE2 3.59Å; H97-Q651 PolarHBondContact CE1-OE1 2.9Å; H97-Q651 PolarHBondContact NE2-NE2 3.04Å; H97-Q651 PolarHBondContact NE2-OE1 3.38Å; H97-P761 WeakPolarHBondContact CD2-CD 3.2Å; H97-P761 WeakPolarHBondContact NE2-CD 3.12Å
98S87.2Confident86.1Confident9 Ų913.7 Ų13.76%0.0638%0.078CC..Hα-helixtrans-65.2-42.6176.8-680000111.4D95 L100 D101 V102 P553D95-S98 PolarHBondContact O-N 2.95Å; D95-S98 PolarHBondContact OD1-N 3.25Å; D95-S98 VanDerWaalsContact OD2-CB 3.26Å; D95-S98 WeakPolarHBondContact OD2-CB 3.17Å; D95-S98 PolarHBondContact OD2-OG 2.76Å; S98-L100 PolarHBondContact O-N 3.08Å; S98-D101 PolarHBondContact O-N 2.83Å; S98-V102 WeakPolarHBondContact O-CG2 3.35Å; S98-V102 PolarHBondContact O-N 3.14Å; S98-P553 VanDerWaalsContact OG-CD 3.29Å; S98-P553 WeakPolarHBondContact OG-CD 3.38Å
99L89.7Confident86.3Confident4 Ų413.6 Ų13.62%0.0218%0.078CC..Hα-helixtrans-57.7-50175.2175.762.1000111.7V38 Q91 T93 D95 A103 C126V38-L99 HydrophobicContact CB-CD1 4.32Å; V38-L99 HydrophobicContact CG1-CD1 3.76Å; V38-L99 HydrophobicContact CG1-CD2 4.42Å; V38-L99 HydrophobicContact CG2-CD1 3.53Å; Q91-L99 HydrophobicContact CB-CD1 4.37Å; T93-L99 HydrophobicContact CG2-CD2 4.39Å; D95-L99 WeakPolarHBondContact O-CB 3.26Å; D95-L99 PolarHBondContact O-N 3.35Å; L99-A103 VanDerWaalsContact O-CB 3.24Å; L99-A103 WeakPolarHBondContact O-CB 3.36Å; L99-A103 PolarHBondContact O-N 2.98Å; L99-C126 HydrophobicContact CD2-CB 4.04Å
100L90.5Very high86.5Confident1 Ų113.7 Ų13.71%0.0058%0.078CC..Hα-helixtrans-64.3-42.4-179.3-71.7177.8000111.5M96 H97 S98 A103 K104 C129 L130 Q133 L641 F643M96-L100 HydrophobicContact CG-CD1 3.89Å; M96-L100 HydrophobicContact CG-CG 4.16Å; M96-L100 WeakPolarHBondContact O-CB 3.33Å; M96-L100 WeakPolarHBondContact O-CG 3.4Å; M96-L100 PolarHBondContact O-N 2.8Å; H97-L100 PolarHBondContact O-N 2.97Å; S98-L100 PolarHBondContact O-N 3.08Å; L100-A103 PolarHBondContact O-N 3.5Å; L100-K104 VanDerWaalsContact O-CG 3.31Å; L100-K104 WeakPolarHBondContact O-CG 3.49Å; L100-K104 PolarHBondContact O-N 3.47Å; L100-K104 VanDerWaalsContact O-N 3.07Å; L100-C129 HydrophobicContact CD2-CB 3.87Å; L100-L130 HydrophobicContact CD2-CD2 3.98Å; L100-L130 HydrophobicContact CD2-CG 4.4Å; L100-Q133 PolarHBondContact O-NE2 3.39Å; L100-L641 HydrophobicContact CD1-CD1 4.05Å; L100-L641 HydrophobicContact CD2-CD1 4.46Å; L100-F643 HydrophobicContact CD1-CZ 4.26Å
101D89.9Confident86.9Confident4 Ų412.4 Ų12.42%0.0217%0.072CC..Hα-helixtrans-65.7-44.1179.8-77.2-11.6000112.8H97 S98 A103 K104 S253 V555 R597H97-D101 WeakPolarHBondContact O-CB 3.47Å; H97-D101 PolarHBondContact O-N 3.25Å; S98-D101 PolarHBondContact O-N 2.83Å; D101-A103 VanDerWaalsContact C-N 3.32Å; D101-A103 PolarHBondContact O-N 3.17Å; D101-K104 WeakPolarHBondContact O-CB 3.39Å; D101-K104 PolarHBondContact O-N 2.9Å; D101-K104 IonicContact OD1-NZ 2.76Å; D101-K104 PolarHBondContact OD1-NZ 2.82Å; D101-S253 PolarHBondContact OD2-OG 3.18Å; D101-S253 VanDerWaalsContact OD2-OG 3.06Å; D101-V555 HydrophobicContact CB-CG2 4.25Å; D101-R597 IonicContact OD1-CZ 3.59Å; D101-R597 IonicContact OD1-NH1 3.56Å; D101-R597 IonicContact OD1-NH2 2.89Å; D101-R597 IonicContact OD2-CZ 3.33Å; D101-R597 IonicContact OD2-NH1 3.29Å; D101-R597 PolarHBondContact OD2-NH1 2.8Å; D101-R597 IonicContact OD2-NH2 3.48Å; D101-R597 PolarHBondContact OD2-NH2 2.89Å
102V89.6Confident87.4Confident2 Ų211.8 Ų11.81%0.0127%0.069CC..Hα-helixtrans-63.6-41.6174.8171.90000110.6A36 L89 Q91 S98 K104 V105 A106 P553A36-V102 HydrophobicContact CB-CG1 3.63Å; L89-V102 HydrophobicContact CD1-CG1 3.69Å; L89-V102 HydrophobicContact CD1-CG2 4.47Å; Q91-V102 HydrophobicContact CG-CB 4.07Å; Q91-V102 HydrophobicContact CG-CG1 4Å; Q91-V102 HydrophobicContact CG-CG2 3.99Å; S98-V102 WeakPolarHBondContact O-CG2 3.35Å; S98-V102 PolarHBondContact O-N 3.14Å; V102-K104 VanDerWaalsContact C-N 3.25Å; V102-K104 PolarHBondContact O-N 3.3Å; V102-V105 PolarHBondContact O-N 2.96Å; V102-V105 VanDerWaalsContact O-N 3.07Å; V102-A106 WeakPolarHBondContact O-CB 3.35Å; V102-A106 PolarHBondContact O-N 3Å; V102-P553 HydrophobicContact CG2-CB 3.73Å; V102-P553 HydrophobicContact CG2-CG 3.39Å
103A90.8Very high88Confident5 Ų59 Ų94%0.0415%0.049CC..Hα-helixtrans-64.3-26.8178.300000113.7L99 L100 D101 V105 L109 L130L99-A103 VanDerWaalsContact O-CB 3.24Å; L99-A103 WeakPolarHBondContact O-CB 3.36Å; L99-A103 PolarHBondContact O-N 2.98Å; L100-A103 PolarHBondContact O-N 3.5Å; D101-A103 VanDerWaalsContact C-N 3.32Å; D101-A103 PolarHBondContact O-N 3.17Å; A103-V105 VanDerWaalsContact C-N 3.28Å; A103-V105 PolarHBondContact O-N 3.28Å; A103-L109 HydrophobicContact CB-CD1 4.32Å; A103-L109 HydrophobicContact CB-CD2 4.26Å; A103-L130 HydrophobicContact CB-CD2 3.29Å
104K89.4Confident88.5Confident11 Ų119 Ų95%0.0485%0.049CC..Hα-helixtrans-65.9-31.8173.5-65.9166.3-162.5163.60112.1L100 D101 V102 Q133 R200 G594 F595L100-K104 VanDerWaalsContact O-CG 3.31Å; L100-K104 WeakPolarHBondContact O-CG 3.49Å; L100-K104 PolarHBondContact O-N 3.47Å; L100-K104 VanDerWaalsContact O-N 3.07Å; D101-K104 WeakPolarHBondContact O-CB 3.39Å; D101-K104 PolarHBondContact O-N 2.9Å; D101-K104 IonicContact OD1-NZ 2.76Å; D101-K104 PolarHBondContact OD1-NZ 2.82Å; V102-K104 VanDerWaalsContact C-N 3.25Å; V102-K104 PolarHBondContact O-N 3.3Å; K104-Q133 VanDerWaalsContact CG-CD 3.47Å; K104-Q133 HydrophobicContact CG-CG 4.25Å; K104-R200 WeakPolarHBondContact O-CD 3.44Å; K104-G594 WeakPolarHBondContact CD-O 3.3Å; K104-G594 WeakPolarHBondContact CE-O 3.24Å; K104-G594 PolarHBondContact NZ-O 3.39Å; K104-F595 HydrophobicContact CB-CD1 4.15Å; K104-F595 HydrophobicContact CB-CE1 3.52Å; K104-F595 HydrophobicContact CB-CZ 4.24Å; K104-F595 HydrophobicContact CD-CD1 3.71Å; K104-F595 HydrophobicContact CD-CE1 4.01Å; K104-F595 HydrophobicContact CG-CD1 4.43Å; K104-F595 HydrophobicContact CG-CE1 4.24Å
105V89.6Confident88.9Confident0 Ų05.8 Ų5.80%03%0.032CC..Hα-helixtrans-97.5-35.6-173.8-179.20000111.7L34 V102 A103 D107 R200 L207 V555 F595L34-V105 HydrophobicContact CD2-CB 4.31Å; L34-V105 HydrophobicContact CD2-CG1 3.65Å; V102-V105 PolarHBondContact O-N 2.96Å; V102-V105 VanDerWaalsContact O-N 3.07Å; A103-V105 VanDerWaalsContact C-N 3.28Å; A103-V105 PolarHBondContact O-N 3.28Å; V105-D107 PolarHBondContact O-N 3.09Å; V105-R200 PolarHBondContact O-NH1 3.49Å; V105-R200 VanDerWaalsContact O-NH1 3.11Å; V105-L207 HydrophobicContact CG1-CB 4.16Å; V105-V555 HydrophobicContact CG2-CB 4.21Å; V105-V555 HydrophobicContact CG2-CG1 3.36Å; V105-V555 HydrophobicContact CG2-CG2 3.74Å; V105-F595 HydrophobicContact CG2-CE1 4.47Å
106A91.2Very high88.9Confident0 Ų08.4 Ų8.40%05%0.049CC..  trans-54.5135.6-175.900000113.1A36 V102 L109 A136 R200A36-A106 HydrophobicContact CB-CB 4.03Å; V102-A106 WeakPolarHBondContact O-CB 3.35Å; V102-A106 PolarHBondContact O-N 3Å; A106-L109 HydrophobicContact CB-CD2 3.76Å; A106-A136 WeakPolarHBondContact O-CB 3.45Å; A106-R200 PolarHBondContact O-NH1 2.87Å
107D90.8Very high88.7Confident11 Ų1113.4 Ų13.46%0.0597%0.073CC..SBendtrans-79.4-37.2174.5-70.6-52.5000111.3L25 L34 V105 S137 Q194 R200 R240L25-D107 WeakPolarHBondContact CD1-OD2 3.23Å; L25-D107 HydrophobicContact CD2-CB 4.3Å; L34-D107 PolarHBondContact O-N 3.37Å; V105-D107 PolarHBondContact O-N 3.09Å; D107-S137 PolarHBondContact O-N 3.48Å; D107-Q194 PolarHBondContact O-OE1 3.48Å; D107-Q194 VanDerWaalsContact O-OE1 3.13Å; D107-R200 IonicContact OD1-CZ 2.69Å; D107-R200 IonicContact OD1-NH1 3.81Å; D107-R200 PolarHBondContact OD1-NH1 2.8Å; D107-R200 IonicContact OD1-NH2 3.05Å; D107-R200 PolarHBondContact OD1-NH2 3.38Å; D107-R240 IonicContact OD2-CZ 3.93Å; D107-R240 IonicContact OD2-NH1 3.41Å; D107-R240 PolarHBondContact OD2-NH1 3.21Å
108S91.4Very high88.5Confident0 Ų013 Ų130%07%0.071CC..EExtended strand (participates in β ladder)trans-132.8141173.1-56.80000112.9H33 L34 V35 A36 S137 Q194H33-S108 PolarHBondContact CE1-OG 2.87Å; H33-S108 VanDerWaalsContact CE1-OG 3.28Å; H33-S108 PolarHBondContact NE2-OG 2.9Å; L34-S108 PolarHBondContact O-N 3.27Å; V35-S108 VanDerWaalsContact CA-O 3.3Å; V35-S108 WeakPolarHBondContact CA-O 3.32Å; A36-S108 PolarHBondContact N-O 2.71Å; S108-S137 CarbonylContact C-O 3.52Å; S108-S137 WeakPolarHBondContact CA-O 3.48Å; S108-Q194 PolarHBondContact OG-OE1 3.07Å
109L91.9Very high88.5Confident2 Ų214 Ų141%0.017%0.073CC..EExtended strand (participates in β ladder)trans-107.3127174-61.9178.5000109.2A36 A103 A106 F111 L135 S137 H138 A139A36-L109 HydrophobicContact CB-CD2 3.78Å; A36-L109 WeakPolarHBondContact O-CA 3.45Å; A103-L109 HydrophobicContact CB-CD1 4.32Å; A103-L109 HydrophobicContact CB-CD2 4.26Å; A106-L109 HydrophobicContact CB-CD2 3.76Å; L109-F111 HydrophobicContact CB-CE2 4.22Å; L109-F111 HydrophobicContact CB-CZ 4.11Å; L109-F111 HydrophobicContact CD1-CZ 3.99Å; L109-L135 HydrophobicContact CD1-CD2 3.78Å; L109-S137 PolarHBondContact N-O 3.03Å; L109-H138 HydrophobicContact CB-CB 4.46Å; L109-H138 CarbonylContact O-C 3.59Å; L109-H138 WeakPolarHBondContact O-CA 3.35Å; L109-A139 PolarHBondContact O-N 3.14Å
110V91.7Very high88.5Confident2 Ų216.1 Ų16.11%0.0129%0.085CC..EExtended strand (participates in β ladder)trans-106.3109.4173.41760000107.4V35 A36 V37 V38 A139 V141 L189V35-V110 HydrophobicContact CG1-CB 4.37Å; V35-V110 HydrophobicContact CG1-CG2 3.5Å; V35-V110 VanDerWaalsContact CG1-CG2 3.5Å; A36-V110 PolarHBondContact O-N 3.18Å; V37-V110 WeakPolarHBondContact CA-O 3.33Å; V37-V110 HydrophobicContact CG2-CB 4.36Å; V38-V110 PolarHBondContact N-O 2.84Å; V110-A139 WeakPolarHBondContact CA-O 3.4Å; V110-A139 HydrophobicContact CG2-CB 4.45Å; V110-V141 HydrophobicContact CG1-CB 4.16Å; V110-V141 HydrophobicContact CG1-CG2 3.51Å; V110-L189 HydrophobicContact CG2-CD1 4.14Å; V110-L189 HydrophobicContact CG2-CD2 3.99Å
111F91.9Very high88.4Confident0 Ų021.5 Ų21.50%012%0.118CC..EExtended strand (participates in β ladder)trans-89.5122.6176-64.1-63.5000109.6V38 L40 L109 L127 L130 L135 H138 A139 L140 V141 F168V38-F111 HydrophobicContact CB-CD1 4.09Å; V38-F111 HydrophobicContact CB-CE1 4.36Å; V38-F111 HydrophobicContact CG1-CD1 4.44Å; V38-F111 WeakPolarHBondContact O-CA 3.15Å; L40-F111 HydrophobicContact CD1-CB 3.69Å; L40-F111 HydrophobicContact CD1-CD1 3.87Å; L40-F111 HydrophobicContact CD1-CG 3.95Å; L40-F111 HydrophobicContact CD2-CD1 3.95Å; L40-F111 HydrophobicContact CD2-CE1 4.42Å; L40-F111 HydrophobicContact CG-CB 4.27Å; L40-F111 HydrophobicContact CG-CD1 4.02Å; L109-F111 HydrophobicContact CB-CE2 4.22Å; L109-F111 HydrophobicContact CB-CZ 4.11Å; L109-F111 HydrophobicContact CD1-CZ 3.99Å; F111-L127 HydrophobicContact CD1-CD2 4.13Å; F111-L127 HydrophobicContact CE1-CD2 3.77Å; F111-L127 HydrophobicContact CE2-CD2 4.32Å; F111-L127 HydrophobicContact CZ-CD2 3.87Å; F111-L130 HydrophobicContact CE1-CD1 3.75Å; F111-L130 HydrophobicContact CZ-CD1 4.03Å; F111-L135 HydrophobicContact CE2-CD2 4.38Å; F111-L135 HydrophobicContact CZ-CD2 3.95Å; F111-H138 HydrophobicContact CD2-CB 4.12Å; F111-H138 HydrophobicContact CE2-CB 3.82Å; F111-A139 PolarHBondContact N-O 3.22Å; F111-L140 HydrophobicContact CB-CD2 3.77Å; F111-L140 HydrophobicContact CD2-CD2 3.79Å; F111-L140 HydrophobicContact CG-CD2 4.24Å; F111-V141 PolarHBondContact O-N 3.08Å; F111-F168 HydrophobicContact CD2-CE1 4.23Å; F111-F168 AromaticContact CD2-CZ 3.98Å; F111-F168 HydrophobicContact CD2-CZ 3.98Å; F111-F168 AromaticContact CE2-CE1 3.96Å; F111-F168 HydrophobicContact CE2-CE1 3.96Å; F111-F168 AromaticContact CE2-CZ 3.95Å; F111-F168 HydrophobicContact CE2-CZ 3.95Å
112V89.9Confident88.3Confident0 Ų025 Ų250%013%0.131CC..EExtended strand (participates in β ladder)trans-94119176.1-168.10000108.3V37 V38 L40 A44 V49 V141 Q143V37-V112 HydrophobicContact CG1-CG2 3.58Å; V38-V112 PolarHBondContact O-N 2.9Å; L40-V112 PolarHBondContact N-O 3.03Å; A44-V112 HydrophobicContact CB-CG1 4.06Å; V49-V112 HydrophobicContact CG2-CG1 4.05Å; V49-V112 HydrophobicContact CG2-CG2 3.79Å; V112-V141 HydrophobicContact CG1-CG1 4.41Å; V112-Q143 HydrophobicContact CG1-CG 3.72Å
113L89.2Confident88.2Confident0 Ų025 Ų250%013%0.131CC..EExtended strand (participates in β ladder)trans-108.1145.3-177.3-61.8172.7000109.8L40 G118 W119 L140 V141 C142 Q143 L173L40-L113 HydrophobicContact CB-CD2 4.38Å; L40-L113 HydrophobicContact CD1-CD2 3.63Å; L113-G118 WeakPolarHBondContact CA-O 3.49Å; L113-W119 HydrophobicContact CD2-CB 4.4Å; L113-W119 HydrophobicContact CD2-CE3 3.66Å; L113-W119 HydrophobicContact CD2-CZ3 4.4Å; L113-L140 HydrophobicContact CD1-CB 4.22Å; L113-L140 HydrophobicContact CD1-CD2 4.45Å; L113-V141 WeakPolarHBondContact CB-O 3.31Å; L113-V141 PolarHBondContact N-O 2.93Å; L113-C142 WeakPolarHBondContact O-CA 3.48Å; L113-Q143 PolarHBondContact O-N 2.99Å; L113-Q143 VanDerWaalsContact O-N 3.16Å; L113-L173 HydrophobicContact CD1-CD1 3.91Å
114D87.8Confident88.1Confident19 Ų1927.1 Ų27.110%0.10214%0.142CC..  trans-71.4153.8165.3179.950.5000111H41 T116 E117 G118 L160H41-D114 HydrophobicContact CB-CB 4.12Å; D114-T116 WeakPolarHBondContact OD2-CA 3.46Å; D114-T116 WeakPolarHBondContact OD2-CB 3.25Å; D114-T116 PolarHBondContact OD2-N 3.03Å; D114-T116 PolarHBondContact OD2-OG1 3.35Å; D114-E117 PolarHBondContact OD2-N 3.03Å; D114-G118 PolarHBondContact N-O 2.96Å; D114-G118 WeakPolarHBondContact O-CA 3.35Å; D114-G118 PolarHBondContact O-N 3.32Å; D114-L160 WeakPolarHBondContact O-CD2 3.31Å
115S81.8Confident88.1Confident7 Ų728.2 Ų28.25%0.04915%0.147CC..SBendtrans-75.8-20.6179.958.70000114.6Q143 I148 L160S115-Q143 VanDerWaalsContact CB-O 3.3Å; S115-Q143 WeakPolarHBondContact CB-O 3.5Å; S115-Q143 PolarHBondContact N-O 2.81Å; S115-I148 WeakPolarHBondContact OG-CD1 3.35Å; S115-L160 VanDerWaalsContact O-CD1 3.22Å; S115-L160 WeakPolarHBondContact O-CD1 3.28Å
116T80.4Confident88.1Confident83 Ų8328.2 Ų28.251%0.50915%0.148SC..SBendtrans-104.3-52-173.164.60000112.6D114 F156D114-T116 WeakPolarHBondContact OD2-CA 3.46Å; D114-T116 WeakPolarHBondContact OD2-CB 3.25Å; D114-T116 PolarHBondContact OD2-N 3.03Å; D114-T116 PolarHBondContact OD2-OG1 3.35Å; T116-F156 HydrophobicContact CG2-CE1 4.48Å
117E81.3Confident88.1Confident112 Ų11228.2 Ų28.252%0.52315%0.148SC..SBendtrans-102.1-27.1-175.1-169.6164.8-173.300112.3H41 D114 W119H41-E117 IonicContact NE2-OE2 2.68Å; D114-E117 PolarHBondContact OD2-N 3.03Å; E117-W119 PolarHBondContact O-N 3.4Å
118G82.8Confident88.1Confident1 Ų128.3 Ų28.31%0.0115%0.149CC..  trans90.1-78.7-175.800000111.6L113 D114L113-G118 WeakPolarHBondContact CA-O 3.49Å; D114-G118 PolarHBondContact N-O 2.96Å; D114-G118 WeakPolarHBondContact O-CA 3.35Å; D114-G118 PolarHBondContact O-N 3.32Å
119W87.4Confident88.1Confident31 Ų3128.3 Ų28.312%0.11715%0.149CC..SBendtrans-137.2153.1179.658.177.1000111.8L40 L113 E117 D124 L127 I163 R167 F168L40-W119 HydrophobicContact CB-CB 3.75Å; L40-W119 HydrophobicContact CD1-CB 4.39Å; L113-W119 HydrophobicContact CD2-CB 4.4Å; L113-W119 HydrophobicContact CD2-CE3 3.66Å; L113-W119 HydrophobicContact CD2-CZ3 4.4Å; E117-W119 PolarHBondContact O-N 3.4Å; W119-D124 PolarHBondContact NE1-OD1 2.91Å; W119-L127 HydrophobicContact CD2-CD1 4.23Å; W119-L127 HydrophobicContact CE3-CD1 4.49Å; W119-L127 HydrophobicContact CG-CD1 4.4Å; W119-I163 HydrophobicContact CH2-CG2 3.76Å; W119-I163 WeakPolarHBondContact CH2-O 3.28Å; W119-I163 HydrophobicContact CZ2-CG2 3.98Å; W119-I163 HydrophobicContact CZ3-CG2 4.18Å; W119-R167 HydrophobicContact CH2-CB 4.12Å; W119-R167 HydrophobicContact CH2-CG 3.98Å; W119-R167 HydrophobicContact CZ2-CB 4.39Å; W119-R167 HydrophobicContact CZ2-CG 3.77Å; W119-F168 HydrophobicContact CZ3-CE2 4.49Å
120D89.6Confident88.1Confident48 Ų4828.3 Ų28.326%0.25715%0.149SC..  trans-83.6168.1177.9-171.55.6000111L40 Y122 G123 D124L40-D120 PolarHBondContact O-N 2.8Å; L40-D120 VanDerWaalsContact O-N 3.1Å; D120-Y122 VanDerWaalsContact C-N 3.3Å; D120-Y122 PolarHBondContact O-N 2.96Å; D120-G123 CarbonylContact O-C 3.58Å; D120-G123 WeakPolarHBondContact O-CA 3.5Å; D120-G123 PolarHBondContact O-N 2.95Å; D120-D124 PolarHBondContact O-N 3.35Å
121T87.7Confident88Confident114 Ų11431.7 Ų31.770%0.69916%0.163SC*.Hα-helixtrans-48.9-46.416855.80000112.7D124 H125T121-D124 WeakPolarHBondContact O-CB 3.4Å; T121-D124 PolarHBondContact O-N 2.88Å; T121-H125 PolarHBondContact O-N 3.39Å
122Y87.3Confident87.9Confident76 Ų7633 Ų3330%0.29817%0.174SC..Hα-helixtrans-70.6-33.8175.5-174.2-111.6000112.3T93 D120 D124 H125 C126T93-Y122 WeakPolarHBondContact O-CE1 3.49Å; T93-Y122 PolarHBondContact O-OH 3.09Å; D120-Y122 VanDerWaalsContact C-N 3.3Å; D120-Y122 PolarHBondContact O-N 2.96Å; Y122-D124 VanDerWaalsContact C-N 3.3Å; Y122-D124 PolarHBondContact O-N 3.49Å; Y122-H125 WeakPolarHBondContact O-CB 3.38Å; Y122-H125 PolarHBondContact O-N 2.95Å; Y122-C126 PolarHBondContact O-N 3.45Å; Y122-C126 PolarHBondContact O-SG 3.46Å
123G88.2Confident87.8Confident2 Ų234.3 Ų34.32%0.02118%0.18CC..Hα-helixtrans-60.3-40.3169.600000112L40 D120 C126 L127L40-G123 WeakPolarHBondContact O-CA 3.28Å; D120-G123 CarbonylContact O-C 3.58Å; D120-G123 WeakPolarHBondContact O-CA 3.5Å; D120-G123 PolarHBondContact O-N 2.95Å; G123-C126 PolarHBondContact O-N 2.97Å; G123-L127 WeakPolarHBondContact O-CB 3.3Å; G123-L127 VanDerWaalsContact O-CG 3.31Å; G123-L127 WeakPolarHBondContact O-CG 3.34Å; G123-L127 PolarHBondContact O-N 3.03Å
124D88.8Confident87.7Confident50 Ų5035.3 Ų35.327%0.26719%0.191SC..Hα-helixtrans-65.5-39.5176.4-163.170.3000112.5W119 D120 T121 Y122 L127 S128 R167W119-D124 PolarHBondContact NE1-OD1 2.91Å; D120-D124 PolarHBondContact O-N 3.35Å; T121-D124 WeakPolarHBondContact O-CB 3.4Å; T121-D124 PolarHBondContact O-N 2.88Å; Y122-D124 VanDerWaalsContact C-N 3.3Å; Y122-D124 PolarHBondContact O-N 3.49Å; D124-L127 PolarHBondContact O-N 3.05Å; D124-S128 WeakPolarHBondContact O-CB 3.25Å; D124-S128 PolarHBondContact O-N 3.18Å; D124-S128 PolarHBondContact O-OG 3.11Å; D124-R167 IonicContact OD1-CZ 3.31Å; D124-R167 IonicContact OD1-NH1 3.37Å; D124-R167 PolarHBondContact OD1-NH1 3.3Å; D124-R167 IonicContact OD1-NH2 3.41Å; D124-R167 IonicContact OD2-NH1 3.36Å
125H89.2Confident87.6Confident34 Ų3434.6 Ų34.616%0.15719%0.187CC..Hα-helixtrans-60-52.1172.1179.783000111.2T121 Y122 L127 S128 C129 L653T121-H125 PolarHBondContact O-N 3.39Å; Y122-H125 WeakPolarHBondContact O-CB 3.38Å; Y122-H125 PolarHBondContact O-N 2.95Å; H125-L127 VanDerWaalsContact C-N 3.33Å; H125-L127 PolarHBondContact O-N 3.18Å; H125-S128 WeakPolarHBondContact O-CB 3.47Å; H125-S128 PolarHBondContact O-N 2.94Å; H125-S128 VanDerWaalsContact O-N 3.13Å; H125-C129 PolarHBondContact O-N 3.47Å; H125-C129 VanDerWaalsContact O-N 3.08Å; H125-C129 PolarHBondContact O-SG 2.91Å; H125-C129 VanDerWaalsContact O-SG 3.42Å; H125-L653 VanDerWaalsContact CE1-CB 3.47Å; H125-L653 WeakPolarHBondContact CE1-CB 3.33Å
126C89.6Confident87.9Confident1 Ų134.3 Ų34.31%0.00719%0.185CC..Hα-helixtrans-58.4-44.7177.1-68.50000111.9L99 Y122 G123 S128 C129 L130L99-C126 HydrophobicContact CD2-CB 4.04Å; Y122-C126 PolarHBondContact O-N 3.45Å; Y122-C126 PolarHBondContact O-SG 3.46Å; G123-C126 PolarHBondContact O-N 2.97Å; C126-S128 VanDerWaalsContact C-N 3.34Å; C126-S128 PolarHBondContact O-N 3.1Å; C126-C129 PolarHBondContact O-N 2.87Å; C126-L130 VanDerWaalsContact O-CG 3.28Å; C126-L130 WeakPolarHBondContact O-CG 3.34Å; C126-L130 PolarHBondContact O-N 3.04Å
127L91Very high88.4Confident0 Ų030.7 Ų30.70%016%0.164CC..Hα-helixtrans-59-45.3175.4-78.7-179.1000111.6L40 F111 W119 G123 D124 H125 C129 L130 F131 F168L40-L127 HydrophobicContact CD1-CD1 3.9Å; L40-L127 HydrophobicContact CD1-CD2 4Å; L40-L127 HydrophobicContact CD1-CG 4.11Å; L40-L127 HydrophobicContact CD2-CD1 4.44Å; L40-L127 HydrophobicContact CD2-CD2 3.93Å; L40-L127 HydrophobicContact CD2-CG 3.85Å; F111-L127 HydrophobicContact CD1-CD2 4.13Å; F111-L127 HydrophobicContact CE1-CD2 3.77Å; F111-L127 HydrophobicContact CE2-CD2 4.32Å; F111-L127 HydrophobicContact CZ-CD2 3.87Å; W119-L127 HydrophobicContact CD2-CD1 4.23Å; W119-L127 HydrophobicContact CE3-CD1 4.49Å; W119-L127 HydrophobicContact CG-CD1 4.4Å; G123-L127 WeakPolarHBondContact O-CB 3.3Å; G123-L127 VanDerWaalsContact O-CG 3.31Å; G123-L127 WeakPolarHBondContact O-CG 3.34Å; G123-L127 PolarHBondContact O-N 3.03Å; D124-L127 PolarHBondContact O-N 3.05Å; H125-L127 VanDerWaalsContact C-N 3.33Å; H125-L127 PolarHBondContact O-N 3.18Å; L127-C129 VanDerWaalsContact C-N 3.32Å; L127-C129 PolarHBondContact O-N 3.09Å; L127-L130 PolarHBondContact O-N 3.13Å; L127-L130 VanDerWaalsContact O-N 3.14Å; L127-F131 HydrophobicContact CB-CD2 4.29Å; L127-F131 HydrophobicContact CB-CE2 4.22Å; L127-F131 WeakPolarHBondContact O-CD2 3.38Å; L127-F131 PolarHBondContact O-N 3.37Å; L127-F168 HydrophobicContact CD1-CE2 4.23Å; L127-F168 HydrophobicContact CD1-CZ 4.31Å; L127-F168 HydrophobicContact CD2-CE2 4.49Å; L127-F168 HydrophobicContact CD2-CZ 3.78Å
128S91.1Very high88.8Confident12 Ų1227.7 Ų27.78%0.08415%0.149CC..Hα-helixtrans-57.2-44.4177.8-66.60000112.1D124 H125 C126 F131 A132 H576D124-S128 WeakPolarHBondContact O-CB 3.25Å; D124-S128 PolarHBondContact O-N 3.18Å; D124-S128 PolarHBondContact O-OG 3.11Å; H125-S128 WeakPolarHBondContact O-CB 3.47Å; H125-S128 PolarHBondContact O-N 2.94Å; H125-S128 VanDerWaalsContact O-N 3.13Å; C126-S128 VanDerWaalsContact C-N 3.34Å; C126-S128 PolarHBondContact O-N 3.1Å; S128-F131 PolarHBondContact O-N 2.65Å; S128-A132 WeakPolarHBondContact O-CB 3.48Å; S128-A132 PolarHBondContact O-N 3.31Å; S128-A132 VanDerWaalsContact O-N 3.14Å; S128-H576 VanDerWaalsContact CB-NE2 3.35Å; S128-H576 WeakPolarHBondContact CB-NE2 3.24Å; S128-H576 PolarHBondContact OG-NE2 3.05Å
129C91.4Very high89.1Confident0 Ų027.8 Ų27.80%015%0.15CC..Hα-helixtrans-61.5-45174.3-63.40000111.7L100 H125 C126 L127 A132 Q133 L641L100-C129 HydrophobicContact CD2-CB 3.87Å; H125-C129 PolarHBondContact O-N 3.47Å; H125-C129 VanDerWaalsContact O-N 3.08Å; H125-C129 PolarHBondContact O-SG 2.91Å; H125-C129 VanDerWaalsContact O-SG 3.42Å; C126-C129 PolarHBondContact O-N 2.87Å; L127-C129 VanDerWaalsContact C-N 3.32Å; L127-C129 PolarHBondContact O-N 3.09Å; C129-A132 PolarHBondContact O-N 3.19Å; C129-Q133 WeakPolarHBondContact O-CB 3.42Å; C129-Q133 PolarHBondContact O-N 3.03Å; C129-L641 HydrophobicContact CB-CD1 4.26Å
130L91.7Very high89.3Confident2 Ų226.3 Ų26.31%0.0115%0.145CC..Hα-helixtrans-66.1-39179.4-69.5170.8000113L100 A103 F111 C126 L127 G134 L135L100-L130 HydrophobicContact CD2-CD2 3.98Å; L100-L130 HydrophobicContact CD2-CG 4.4Å; A103-L130 HydrophobicContact CB-CD2 3.29Å; F111-L130 HydrophobicContact CE1-CD1 3.75Å; F111-L130 HydrophobicContact CZ-CD1 4.03Å; C126-L130 VanDerWaalsContact O-CG 3.28Å; C126-L130 WeakPolarHBondContact O-CG 3.34Å; C126-L130 PolarHBondContact O-N 3.04Å; L127-L130 PolarHBondContact O-N 3.13Å; L127-L130 VanDerWaalsContact O-N 3.14Å; L130-G134 CarbonylContact O-C 3.58Å; L130-G134 PolarHBondContact O-N 3.19Å; L130-L135 HydrophobicContact CB-CD2 3.64Å
131F91.1Very high89.2Confident73 Ų7324 Ų2432%0.3213%0.132SC..Hα-helixtrans-61.5-46.2175-84.9-69.3000111.6L127 S128 G134 L135 R167 F168L127-F131 HydrophobicContact CB-CD2 4.29Å; L127-F131 HydrophobicContact CB-CE2 4.22Å; L127-F131 WeakPolarHBondContact O-CD2 3.38Å; L127-F131 PolarHBondContact O-N 3.37Å; S128-F131 PolarHBondContact O-N 2.65Å; F131-G134 PolarHBondContact O-N 3.15Å; F131-L135 HydrophobicContact CD1-CD1 3.28Å; F131-L135 HydrophobicContact CD1-CG 4.13Å; F131-L135 HydrophobicContact CD2-CD1 4.39Å; F131-L135 HydrophobicContact CE1-CD1 3.2Å; F131-L135 HydrophobicContact CE1-CG 4.46Å; F131-L135 HydrophobicContact CE2-CD1 4.31Å; F131-L135 HydrophobicContact CG-CD1 3.9Å; F131-L135 HydrophobicContact CZ-CD1 3.75Å; F131-R167 HydrophobicContact CZ-CB 4.41Å; F131-R167 WeakPolarHBondContact CZ-O 3.21Å; F131-F168 HydrophobicContact CE1-CD1 4.39Å; F131-F168 HydrophobicContact CE1-CE1 4.16Å; F131-F168 HydrophobicContact CE2-CE1 4.19Å; F131-F168 HydrophobicContact CE2-CZ 4.11Å; F131-F168 AromaticContact CZ-CD1 3.84Å; F131-F168 HydrophobicContact CZ-CD1 3.84Å; F131-F168 AromaticContact CZ-CE1 3.45Å; F131-F168 HydrophobicContact CZ-CE1 3.45Å; F131-F168 VanDerWaalsContact CZ-CE1 3.45Å; F131-F168 HydrophobicContact CZ-CE2 4.42Å; F131-F168 HydrophobicContact CZ-CG 4.49Å; F131-F168 AromaticContact CZ-CZ 3.8Å; F131-F168 HydrophobicContact CZ-CZ 3.8Å
132A89.2Confident89.1Confident28 Ų2818.6 Ų18.623%0.23110%0.099CC..Hα-helixtrans-72-35-177.600000113.3S128 C129 G134 L641 T656S128-A132 WeakPolarHBondContact O-CB 3.48Å; S128-A132 PolarHBondContact O-N 3.31Å; S128-A132 VanDerWaalsContact O-N 3.14Å; C129-A132 PolarHBondContact O-N 3.19Å; A132-G134 VanDerWaalsContact C-N 3.26Å; A132-G134 PolarHBondContact O-N 3.39Å; A132-L641 HydrophobicContact CB-CD2 3.32Å; A132-T656 HydrophobicContact CB-CG2 3.38Å
133Q87.4Confident88.9Confident27 Ų2716.2 Ų16.213%0.1269%0.091CC..Hα-helixtrans-65.7-33171-174177.1-78.800112.2L100 K104 C129 L641L100-Q133 PolarHBondContact O-NE2 3.39Å; K104-Q133 VanDerWaalsContact CG-CD 3.47Å; K104-Q133 HydrophobicContact CG-CG 4.25Å; C129-Q133 WeakPolarHBondContact O-CB 3.42Å; C129-Q133 PolarHBondContact O-N 3.03Å; Q133-L641 HydrophobicContact CB-CD1 4.46Å
134G86.4Confident88.3Confident22 Ų2217 Ų1723%0.22710%0.099CC..  trans110.9113.1-178.500000111L130 F131 A132 L197L130-G134 CarbonylContact O-C 3.58Å; L130-G134 PolarHBondContact O-N 3.19Å; F131-G134 PolarHBondContact O-N 3.15Å; A132-G134 VanDerWaalsContact C-N 3.26Å; A132-G134 PolarHBondContact O-N 3.39Å; G134-L197 VanDerWaalsContact O-CD2 3.26Å; G134-L197 WeakPolarHBondContact O-CD2 2.95Å
135L86.8Confident87.5Confident4 Ų414.8 Ų14.82%0.0219%0.087CC..  trans-75.9134.7178.9-71.2173000112.5L109 F111 L130 F131 F168 R195L109-L135 HydrophobicContact CD1-CD2 3.78Å; F111-L135 HydrophobicContact CE2-CD2 4.38Å; F111-L135 HydrophobicContact CZ-CD2 3.95Å; L130-L135 HydrophobicContact CB-CD2 3.64Å; F131-L135 HydrophobicContact CD1-CD1 3.28Å; F131-L135 HydrophobicContact CD1-CG 4.13Å; F131-L135 HydrophobicContact CD2-CD1 4.39Å; F131-L135 HydrophobicContact CE1-CD1 3.2Å; F131-L135 HydrophobicContact CE1-CG 4.46Å; F131-L135 HydrophobicContact CE2-CD1 4.31Å; F131-L135 HydrophobicContact CG-CD1 3.9Å; F131-L135 HydrophobicContact CZ-CD1 3.75Å; L135-F168 HydrophobicContact CD1-CE1 4.09Å; L135-R195 WeakPolarHBondContact O-CD 3.43Å; L135-R195 PolarHBondContact O-NH1 3.1Å; L135-R195 VanDerWaalsContact O-NH1 3.17Å
136A87.8Confident86.6Confident1 Ų115.8 Ų15.81%0.00810%0.097CC..  trans-68-172.516200000111.4A106 H138 L197A106-A136 WeakPolarHBondContact O-CB 3.45Å; A136-H138 PolarHBondContact O-N 3.13Å; A136-L197 HydrophobicContact CB-CD1 3.99Å
137S90.3Very high85.9Confident7 Ų722.6 Ų22.65%0.04913%0.134CC..EExtended strand (participates in β ladder)trans-61.5132171.7-77.10000109.3D107 S108 L109 R193 Q194 R195D107-S137 PolarHBondContact O-N 3.48Å; S108-S137 CarbonylContact C-O 3.52Å; S108-S137 WeakPolarHBondContact CA-O 3.48Å; L109-S137 PolarHBondContact N-O 3.03Å; S137-R193 PolarHBondContact OG-O 2.88Å; S137-Q194 WeakPolarHBondContact OG-CA 3.43Å; S137-R195 PolarHBondContact OG-N 3.21Å
138H90.5Very high85.3Confident48 Ų4823.8 Ų23.822%0.22214%0.14CC..EExtended strand (participates in β ladder)trans-119.9153.9-178.756.8-84.7000111.1L109 F111 A136 F168 Q192L109-H138 HydrophobicContact CB-CB 4.46Å; L109-H138 CarbonylContact O-C 3.59Å; L109-H138 WeakPolarHBondContact O-CA 3.35Å; F111-H138 HydrophobicContact CD2-CB 4.12Å; F111-H138 HydrophobicContact CE2-CB 3.82Å; A136-H138 PolarHBondContact O-N 3.13Å; H138-F168 AromaticContact CD2-CD1 3.62Å; H138-F168 AromaticContact NE2-CD1 3.44Å; H138-F168 WeakPolarHBondContact NE2-CD1 3.37Å; H138-Q192 PolarHBondContact O-NE2 3.4Å
139A89.9Confident84.7Confident4 Ų426.5 Ų26.53%0.03316%0.159CC..EExtended strand (participates in β ladder)trans-132.5143.716900000108.5L109 V110 F111 L185 L189L109-A139 PolarHBondContact O-N 3.14Å; V110-A139 WeakPolarHBondContact CA-O 3.4Å; V110-A139 HydrophobicContact CG2-CB 4.45Å; F111-A139 PolarHBondContact N-O 3.22Å; A139-L185 HydrophobicContact CB-CD1 4.18Å; A139-L189 HydrophobicContact CB-CD2 4.05Å
140L90.1Very high84.1Confident0 Ų031.6 Ų31.60%019%0.19CC..EExtended strand (participates in β ladder)trans-109.2130.2-177.1-58.6178.4000109.6F111 L113 T164 F168 S171 L173 F174F111-L140 HydrophobicContact CB-CD2 3.77Å; F111-L140 HydrophobicContact CD2-CD2 3.79Å; F111-L140 HydrophobicContact CG-CD2 4.24Å; L113-L140 HydrophobicContact CD1-CB 4.22Å; L113-L140 HydrophobicContact CD1-CD2 4.45Å; L140-T164 HydrophobicContact CD1-CG2 3.06Å; L140-F168 HydrophobicContact CD1-CB 4.17Å; L140-F168 HydrophobicContact CD1-CD2 4.1Å; L140-F168 HydrophobicContact CD1-CG 4.21Å; L140-F168 HydrophobicContact CD2-CD2 4.25Å; L140-F168 HydrophobicContact CD2-CE2 4.16Å; L140-F168 HydrophobicContact CD2-CZ 4.34Å; L140-S171 WeakPolarHBondContact CD1-OG 3.47Å; L140-L173 HydrophobicContact CB-CD1 4.05Å; L140-F174 PolarHBondContact O-N 3.34Å
141V88.7Confident83.6Confident0 Ų040.7 Ų40.70%023%0.229CC..EExtended strand (participates in β ladder)trans-121.8133.5-176.6164.10000108.4V110 F111 V112 L113 F174 L176 L185V110-V141 HydrophobicContact CG1-CB 4.16Å; V110-V141 HydrophobicContact CG1-CG2 3.51Å; F111-V141 PolarHBondContact O-N 3.08Å; V112-V141 HydrophobicContact CG1-CG1 4.41Å; L113-V141 WeakPolarHBondContact CB-O 3.31Å; L113-V141 PolarHBondContact N-O 2.93Å; V141-F174 CarbonylContact C-O 3.6Å; V141-F174 VanDerWaalsContact CA-O 3.29Å; V141-F174 WeakPolarHBondContact CA-O 3.43Å; V141-F174 HydrophobicContact CG2-CB 4.44Å; V141-L176 HydrophobicContact CB-CD1 4.21Å; V141-L176 HydrophobicContact CB-CG 4.46Å; V141-L176 HydrophobicContact CG1-CB 3.81Å; V141-L176 HydrophobicContact CG1-CD1 3.33Å; V141-L176 HydrophobicContact CG1-CG 3.53Å; V141-L176 HydrophobicContact CG2-CD1 3.8Å; V141-L176 HydrophobicContact CG2-CG 4.11Å; V141-L185 HydrophobicContact CG2-CD1 4.23Å; V141-L185 HydrophobicContact CG2-CD2 3.81Å
142C85.1Confident83.2Confident0 Ų043 Ų430%024%0.239CC..EExtended strand (participates in β ladder)trans-107.1136.1167.3-89.90000111L113 L145 L160 L173 F174 L176L113-C142 WeakPolarHBondContact O-CA 3.48Å; C142-L145 HydrophobicContact CB-CD1 3.45Å; C142-L145 VanDerWaalsContact CB-CD1 3.45Å; C142-L160 WeakPolarHBondContact SG-CD1 3.43Å; C142-L173 HydrophobicContact CB-CD2 4.31Å; C142-L173 HydrophobicContact CB-CG 4.47Å; C142-F174 PolarHBondContact N-O 3.25Å; C142-L176 PolarHBondContact O-N 2.98Å
143Q81.9Confident82.9Confident26 Ų2645.4 Ų45.412%0.12124%0.242CC..  trans-104.8159.5167.6-72.7-177-3100110.9D45 V49 V112 L113 S115D45-Q143 VanDerWaalsContact N-OE1 3.1Å; D45-Q143 PolarHBondContact O-NE2 3.01Å; D45-Q143 PolarHBondContact O-OE1 2.51Å; V49-Q143 HydrophobicContact CG2-CG 4.33Å; V112-Q143 HydrophobicContact CG1-CG 3.72Å; L113-Q143 PolarHBondContact O-N 2.99Å; L113-Q143 VanDerWaalsContact O-N 3.16Å; S115-Q143 VanDerWaalsContact CB-O 3.3Å; S115-Q143 WeakPolarHBondContact CB-O 3.5Å; S115-Q143 PolarHBondContact N-O 2.81Å
144G75.6Confident82.7Confident18 Ų1847.8 Ų47.819%0.18626%0.259CS..  trans8310.1170.900000114.9S146 D147G144-S146 VanDerWaalsContact C-N 3.25Å; G144-S146 PolarHBondContact O-N 2.92Å; G144-D147 PolarHBondContact O-N 3.45Å
145L71.9Confident82.6Confident3 Ų351.5 Ų51.52%0.01627%0.273CS..THydrogen-bonded Turntrans-69.6-26.4173.4-89.487000111.9C142 D147 R153 P175 D177C142-L145 HydrophobicContact CB-CD1 3.45Å; C142-L145 VanDerWaalsContact CB-CD1 3.45Å; L145-D147 VanDerWaalsContact C-N 3.3Å; L145-D147 PolarHBondContact O-N 2.88Å; L145-R153 WeakPolarHBondContact O-CD 3.45Å; L145-R153 PolarHBondContact O-NE 2.82Å; L145-P175 HydrophobicContact CD2-CB 4.38Å; L145-D177 VanDerWaalsContact CB-OD2 3.25Å; L145-D177 WeakPolarHBondContact CB-OD2 3.44Å
146S70.6Confident82.5Confident55 Ų5554.5 Ų54.539%0.38529%0.286SS..THydrogen-bonded Turntrans-60.6-38.117453.90000112.9G144 I148 R153 D177G144-S146 VanDerWaalsContact C-N 3.25Å; G144-S146 PolarHBondContact O-N 2.92Å; S146-I148 VanDerWaalsContact C-N 3.29Å; S146-I148 PolarHBondContact O-N 2.86Å; S146-R153 PolarHBondContact O-NH2 2.9Å; S146-D177 PolarHBondContact N-OD2 3.49Å
147D75.1Confident82.3Confident144 Ų14459.4 Ų59.477%0.7730%0.304SS*.THydrogen-bonded Turntrans-80.1-19.7-171.4-58-11.4000111.4G144 L145G144-D147 PolarHBondContact O-N 3.45Å; L145-D147 VanDerWaalsContact C-N 3.3Å; L145-D147 PolarHBondContact O-N 2.88Å
148I78.3Confident82.1Confident25 Ų2565 Ų6513%0.12833%0.328CS..SBendtrans-81.1139.9175.1-60.7170000110.1S115 S146 V150 K152 R153 F156S115-I148 WeakPolarHBondContact OG-CD1 3.35Å; S146-I148 VanDerWaalsContact C-N 3.29Å; S146-I148 PolarHBondContact O-N 2.86Å; I148-V150 PolarHBondContact O-N 2.81Å; I148-K152 HydrophobicContact CG2-CB 3.93Å; I148-R153 HydrophobicContact CB-CG 4.3Å; I148-R153 HydrophobicContact CG2-CG 4.23Å; I148-R153 PolarHBondContact O-NE 2.83Å; I148-R153 PolarHBondContact O-NH2 3.14Å; I148-F156 HydrophobicContact CD1-CD2 4.09Å; I148-F156 HydrophobicContact CD1-CE2 4.48Å; I148-F156 HydrophobicContact CD1-CG 4.26Å; I148-F156 HydrophobicContact CG2-CD2 3.74Å; I148-F156 HydrophobicContact CG2-CE2 3.89Å
149S78.4Confident81.9Confident69 Ų6965 Ų6548%0.48334%0.336SS..  trans-59.3138.7177.368.90000112.4K151 K152 R153S149-K151 PolarHBondContact O-N 2.75Å; S149-K152 PolarHBondContact O-N 3.46Å; S149-R153 PolarHBondContact O-N 2.94Å
150V78.7Confident81.7Confident107 Ų10764.9 Ų64.965%0.64834%0.335SS*.Hα-helixtrans-50.8-34.5-172.9-1780000113.2I148 K152I148-V150 PolarHBondContact O-N 2.81Å; V150-K152 PolarHBondContact O-N 2.89Å
151K81.8Confident81.5Confident194 Ų19467.4 Ų67.484%0.84335%0.352SS*.Hα-helixtrans-66.3-34.9178.8-65.4-175.8-178.8-179.80113.2S149S149-K151 PolarHBondContact O-N 2.75Å
152K83.9Confident81.4Confident120 Ų12074.5 Ų74.552%0.52238%0.383SS..Hα-helixtrans-91.3-17.7-176.1-63.7-173.7177.7-176.80113.5I148 S149 V150 V154 D155 F156I148-K152 HydrophobicContact CG2-CB 3.93Å; S149-K152 PolarHBondContact O-N 3.46Å; V150-K152 PolarHBondContact O-N 2.89Å; K152-V154 VanDerWaalsContact C-N 3.26Å; K152-V154 PolarHBondContact O-N 2.66Å; K152-D155 PolarHBondContact O-N 2.78Å; K152-D155 VanDerWaalsContact O-N 3.07Å; K152-F156 HydrophobicContact CB-CD2 3.83Å; K152-F156 HydrophobicContact CB-CE2 3.73Å; K152-F156 HydrophobicContact CD-CE2 4.13Å; K152-F156 VanDerWaalsContact O-CD2 3.25Å; K152-F156 WeakPolarHBondContact O-CD2 3.48Å; K152-F156 PolarHBondContact O-N 3Å
153R81.3Confident81.4Confident79 Ų7977.7 Ų77.730%0.29840%0.399SS..Hα-helixtrans-54.5-39-177.1-68.2-178-171.1178.5-3.3113.5L145 S146 I148 S149 R157L145-R153 WeakPolarHBondContact O-CD 3.45Å; L145-R153 PolarHBondContact O-NE 2.82Å; S146-R153 PolarHBondContact O-NH2 2.9Å; I148-R153 HydrophobicContact CB-CG 4.3Å; I148-R153 HydrophobicContact CG2-CG 4.23Å; I148-R153 PolarHBondContact O-NE 2.83Å; I148-R153 PolarHBondContact O-NH2 3.14Å; S149-R153 PolarHBondContact O-N 2.94Å; R153-R157 WeakPolarHBondContact O-CB 3.44Å; R153-R157 PolarHBondContact O-N 3.29Å
154V83.6Confident81.6Confident78 Ų7876.7 Ų76.747%0.47340%0.395SS..Hα-helixtrans-68.1-39.6-179.8178.70000111.2K152 K158K152-V154 VanDerWaalsContact C-N 3.26Å; K152-V154 PolarHBondContact O-N 2.66Å; V154-K158 HydrophobicContact CG1-CD 4.41Å; V154-K158 WeakPolarHBondContact O-CG 3.43Å; V154-K158 PolarHBondContact O-N 2.83Å; V154-K158 VanDerWaalsContact O-N 3.1Å
155D85.6Confident82.1Confident100 Ų10081.8 Ų81.854%0.53541%0.414SS..Hα-helixtrans-71.8-43.6-178.8-62.9-29.7000111.2K152 R157 K158 A159K152-D155 PolarHBondContact O-N 2.78Å; K152-D155 VanDerWaalsContact O-N 3.07Å; D155-R157 PolarHBondContact O-N 2.84Å; D155-K158 PolarHBondContact O-N 2.86Å; D155-A159 WeakPolarHBondContact O-CB 3.48Å; D155-A159 PolarHBondContact O-N 3.45Å
156F83.3Confident82.8Confident66 Ų6687.5 Ų87.529%0.28945%0.449SS..Hα-helixtrans-61.2-43.9174-79.1-71.5000112T116 I148 K152 K158 A159 L160T116-F156 HydrophobicContact CG2-CE1 4.48Å; I148-F156 HydrophobicContact CD1-CD2 4.09Å; I148-F156 HydrophobicContact CD1-CE2 4.48Å; I148-F156 HydrophobicContact CD1-CG 4.26Å; I148-F156 HydrophobicContact CG2-CD2 3.74Å; I148-F156 HydrophobicContact CG2-CE2 3.89Å; K152-F156 HydrophobicContact CB-CD2 3.83Å; K152-F156 HydrophobicContact CB-CE2 3.73Å; K152-F156 HydrophobicContact CD-CE2 4.13Å; K152-F156 VanDerWaalsContact O-CD2 3.25Å; K152-F156 WeakPolarHBondContact O-CD2 3.48Å; K152-F156 PolarHBondContact O-N 3Å; F156-K158 VanDerWaalsContact C-N 3.3Å; F156-K158 PolarHBondContact O-N 3.02Å; F156-A159 PolarHBondContact O-N 3.46Å; F156-A159 VanDerWaalsContact O-N 3.14Å; F156-L160 WeakPolarHBondContact O-CG 3.31Å; F156-L160 PolarHBondContact O-N 2.68Å
157R83.5Confident83.5Confident104 Ų10487.8 Ų87.839%0.39244%0.442SS..Hα-helixtrans-59.8-40.6175.9-173.6179.3-67.6159.2-2.8112.1R153 D155 S161 L173R153-R157 WeakPolarHBondContact O-CB 3.44Å; R153-R157 PolarHBondContact O-N 3.29Å; D155-R157 PolarHBondContact O-N 2.84Å; R157-S161 WeakPolarHBondContact O-CB 3.16Å; R157-S161 PolarHBondContact O-N 2.96Å; R157-S161 PolarHBondContact O-OG 3.43Å; R157-L173 HydrophobicContact CG-CD2 4.07Å
158K85.8Confident84Confident126 Ų12681 Ų8155%0.54841%0.405SS..Hα-helixtrans-66.9-40.1175.4-74.3174.5-178.6175.50111.8V154 D155 F156 S161 K162V154-K158 HydrophobicContact CG1-CD 4.41Å; V154-K158 WeakPolarHBondContact O-CG 3.43Å; V154-K158 PolarHBondContact O-N 2.83Å; V154-K158 VanDerWaalsContact O-N 3.1Å; D155-K158 PolarHBondContact O-N 2.86Å; F156-K158 VanDerWaalsContact C-N 3.3Å; F156-K158 PolarHBondContact O-N 3.02Å; K158-S161 PolarHBondContact O-N 3.16Å; K158-K162 WeakPolarHBondContact O-CG 3.45Å; K158-K162 PolarHBondContact O-N 3.25Å; K158-K162 VanDerWaalsContact O-N 3.14Å
159A86.7Confident84.2Confident46 Ų4684.4 Ų84.438%0.3843%0.429SS..Hα-helixtrans-63.2-49.3176.400000111.4D155 F156 S161 K162 I163D155-A159 WeakPolarHBondContact O-CB 3.48Å; D155-A159 PolarHBondContact O-N 3.45Å; F156-A159 PolarHBondContact O-N 3.46Å; F156-A159 VanDerWaalsContact O-N 3.14Å; A159-S161 VanDerWaalsContact C-N 3.31Å; A159-S161 PolarHBondContact O-N 3.48Å; A159-K162 WeakPolarHBondContact O-CB 3.36Å; A159-K162 PolarHBondContact O-N 3.09Å; A159-K162 VanDerWaalsContact O-N 3.12Å; A159-I163 WeakPolarHBondContact O-CG1 3.47Å; A159-I163 PolarHBondContact O-N 2.98Å
160L85.4Confident84Confident3 Ų388.8 Ų88.82%0.01645%0.447CS..Hα-helixtrans-60.6-39.8175.9-72171.8000112.5D114 S115 C142 F156 K162 I163 T164D114-L160 WeakPolarHBondContact O-CD2 3.31Å; S115-L160 VanDerWaalsContact O-CD1 3.22Å; S115-L160 WeakPolarHBondContact O-CD1 3.28Å; C142-L160 WeakPolarHBondContact SG-CD1 3.43Å; F156-L160 WeakPolarHBondContact O-CG 3.31Å; F156-L160 PolarHBondContact O-N 2.68Å; L160-K162 VanDerWaalsContact C-N 3.29Å; L160-K162 PolarHBondContact O-N 3.31Å; L160-I163 PolarHBondContact O-N 3.08Å; L160-T164 WeakPolarHBondContact O-CB 3.41Å; L160-T164 PolarHBondContact O-N 3.11Å; L160-T164 PolarHBondContact O-OG1 3.43Å
161S85.6Confident83.9Confident52 Ų5285.5 Ų85.536%0.36443%0.429SS..Hα-helixtrans-61.1-40176.4-58.10000111.2R157 K158 A159 T164 E165R157-S161 WeakPolarHBondContact O-CB 3.16Å; R157-S161 PolarHBondContact O-N 2.96Å; R157-S161 PolarHBondContact O-OG 3.43Å; K158-S161 PolarHBondContact O-N 3.16Å; A159-S161 VanDerWaalsContact C-N 3.31Å; A159-S161 PolarHBondContact O-N 3.48Å; S161-T164 PolarHBondContact O-N 3.5Å; S161-E165 VanDerWaalsContact O-CB 3.29Å; S161-E165 WeakPolarHBondContact O-CB 3.23Å; S161-E165 PolarHBondContact O-N 3.09Å
162K86.7Confident83.8Confident149 Ų14985.2 Ų85.265%0.64842%0.422SS*.Hα-helixtrans-66.5-43.5175.8-70.1174.1-179.2-175.90112.6K158 A159 L160 T164 E165K158-K162 WeakPolarHBondContact O-CG 3.45Å; K158-K162 PolarHBondContact O-N 3.25Å; K158-K162 VanDerWaalsContact O-N 3.14Å; A159-K162 WeakPolarHBondContact O-CB 3.36Å; A159-K162 PolarHBondContact O-N 3.09Å; A159-K162 VanDerWaalsContact O-N 3.12Å; L160-K162 VanDerWaalsContact C-N 3.29Å; L160-K162 PolarHBondContact O-N 3.31Å; K162-T164 VanDerWaalsContact C-N 3.31Å; K162-E165 PolarHBondContact O-N 3.23Å
163I85.6Confident83.9Confident67 Ų6781 Ų8134%0.34441%0.406SS..Hα-helixtrans-61.7-45.7177.3-65.8166.4000109.7W119 A159 L160 E165 V166W119-I163 HydrophobicContact CH2-CG2 3.76Å; W119-I163 WeakPolarHBondContact CH2-O 3.28Å; W119-I163 HydrophobicContact CZ2-CG2 3.98Å; W119-I163 HydrophobicContact CZ3-CG2 4.18Å; A159-I163 WeakPolarHBondContact O-CG1 3.47Å; A159-I163 PolarHBondContact O-N 2.98Å; L160-I163 PolarHBondContact O-N 3.08Å; I163-E165 PolarHBondContact O-N 3.37Å; I163-V166 PolarHBondContact O-N 2.68Å
164T85.6Confident84.1Confident6 Ų678.7 Ų78.74%0.03740%0.398CS..Hα-helixtrans-62.6-41.1179.1-64.90000112.5L140 L160 S161 K162 V166 R167 F168 S171L140-T164 HydrophobicContact CD1-CG2 3.06Å; L160-T164 WeakPolarHBondContact O-CB 3.41Å; L160-T164 PolarHBondContact O-N 3.11Å; L160-T164 PolarHBondContact O-OG1 3.43Å; S161-T164 PolarHBondContact O-N 3.5Å; K162-T164 VanDerWaalsContact C-N 3.31Å; T164-V166 PolarHBondContact O-N 2.67Å; T164-R167 PolarHBondContact O-N 3.46Å; T164-F168 HydrophobicContact CG2-CB 4.04Å; T164-F168 HydrophobicContact CG2-CD2 4.15Å; T164-F168 PolarHBondContact O-N 2.91Å; T164-S171 WeakPolarHBondContact CG2-OG 3.38Å
165E87.8Confident84.1Confident124 Ų12476.1 Ų76.158%0.57938%0.383SS*.Hα-helixtrans-60.1-28.5-177-171.1171.6-166.600112.9S161 K162 I163 R167S161-E165 VanDerWaalsContact O-CB 3.29Å; S161-E165 WeakPolarHBondContact O-CB 3.23Å; S161-E165 PolarHBondContact O-N 3.09Å; K162-E165 PolarHBondContact O-N 3.23Å; I163-E165 PolarHBondContact O-N 3.37Å; E165-R167 VanDerWaalsContact C-N 3.29Å; E165-R167 PolarHBondContact O-N 2.78Å
166V86.4Confident83.9Confident123 Ų12371.6 Ų71.675%0.74536%0.358SS*.Hα-helixtrans-62.1-36.2175.5-179.80000111.9I163 T164I163-V166 PolarHBondContact O-N 2.68Å; T164-V166 PolarHBondContact O-N 2.67Å
167R84.4Confident83.7Confident61 Ų6171.3 Ų71.323%0.2336%0.36CS..Hα-helixtrans-105.7-32.8-175.7-67-64-69.8-87.1-4.4113.6W119 D124 F131 T164 E165W119-R167 HydrophobicContact CH2-CB 4.12Å; W119-R167 HydrophobicContact CH2-CG 3.98Å; W119-R167 HydrophobicContact CZ2-CB 4.39Å; W119-R167 HydrophobicContact CZ2-CG 3.77Å; D124-R167 IonicContact OD1-CZ 3.31Å; D124-R167 IonicContact OD1-NH1 3.37Å; D124-R167 PolarHBondContact OD1-NH1 3.3Å; D124-R167 IonicContact OD1-NH2 3.41Å; D124-R167 IonicContact OD2-NH1 3.36Å; F131-R167 HydrophobicContact CZ-CB 4.41Å; F131-R167 WeakPolarHBondContact CZ-O 3.21Å; T164-R167 PolarHBondContact O-N 3.46Å; E165-R167 VanDerWaalsContact C-N 3.29Å; E165-R167 PolarHBondContact O-N 2.78Å
168F86.5Confident83.7Confident2 Ų269 Ų691%0.00936%0.359CS..SBendtrans-125.486-176.7-59.6-79.4000110F111 W119 L127 F131 L135 H138 L140 T164 D170 S171F111-F168 HydrophobicContact CD2-CE1 4.23Å; F111-F168 AromaticContact CD2-CZ 3.98Å; F111-F168 HydrophobicContact CD2-CZ 3.98Å; F111-F168 AromaticContact CE2-CE1 3.96Å; F111-F168 HydrophobicContact CE2-CE1 3.96Å; F111-F168 AromaticContact CE2-CZ 3.95Å; F111-F168 HydrophobicContact CE2-CZ 3.95Å; W119-F168 HydrophobicContact CZ3-CE2 4.49Å; L127-F168 HydrophobicContact CD1-CE2 4.23Å; L127-F168 HydrophobicContact CD1-CZ 4.31Å; L127-F168 HydrophobicContact CD2-CE2 4.49Å; L127-F168 HydrophobicContact CD2-CZ 3.78Å; F131-F168 HydrophobicContact CE1-CD1 4.39Å; F131-F168 HydrophobicContact CE1-CE1 4.16Å; F131-F168 HydrophobicContact CE2-CE1 4.19Å; F131-F168 HydrophobicContact CE2-CZ 4.11Å; F131-F168 AromaticContact CZ-CD1 3.84Å; F131-F168 HydrophobicContact CZ-CD1 3.84Å; F131-F168 AromaticContact CZ-CE1 3.45Å; F131-F168 HydrophobicContact CZ-CE1 3.45Å; F131-F168 VanDerWaalsContact CZ-CE1 3.45Å; F131-F168 HydrophobicContact CZ-CE2 4.42Å; F131-F168 HydrophobicContact CZ-CG 4.49Å; F131-F168 AromaticContact CZ-CZ 3.8Å; F131-F168 HydrophobicContact CZ-CZ 3.8Å; L135-F168 HydrophobicContact CD1-CE1 4.09Å; H138-F168 AromaticContact CD2-CD1 3.62Å; H138-F168 AromaticContact NE2-CD1 3.44Å; H138-F168 WeakPolarHBondContact NE2-CD1 3.37Å; L140-F168 HydrophobicContact CD1-CB 4.17Å; L140-F168 HydrophobicContact CD1-CD2 4.1Å; L140-F168 HydrophobicContact CD1-CG 4.21Å; L140-F168 HydrophobicContact CD2-CD2 4.25Å; L140-F168 HydrophobicContact CD2-CE2 4.16Å; L140-F168 HydrophobicContact CD2-CZ 4.34Å; T164-F168 HydrophobicContact CG2-CB 4.04Å; T164-F168 HydrophobicContact CG2-CD2 4.15Å; T164-F168 PolarHBondContact O-N 2.91Å; F168-D170 PolarHBondContact O-N 3.48Å; F168-S171 VanDerWaalsContact CB-OG 3.28Å; F168-S171 WeakPolarHBondContact CB-OG 3.4Å; F168-S171 PolarHBondContact O-OG 3.43Å
169P82.4Confident83.5Confident96 Ų9666.3 Ų66.362%0.62335%0.351SS*.THydrogen-bonded Turntrans-62.1138.217826.1-33.9000110.8S171P169-S171 PolarHBondContact O-N 3.37Å; P169-S171 VanDerWaalsContact O-N 3.16Å
170D74Confident83.3Confident162 Ų16271.3 Ų71.387%0.86637%0.367SS*.THydrogen-bonded Turntrans58.221.9176.2-59.4-35.7000116.3F168F168-D170 PolarHBondContact O-N 3.48Å
171S77.2Confident83.3Confident38 Ų3873.3 Ų73.327%0.26638%0.377SS..PPolyproline II helixtrans-82.2141.1179.662.80000112.6L140 T164 F168 P169L140-S171 WeakPolarHBondContact CD1-OG 3.47Å; T164-S171 WeakPolarHBondContact CG2-OG 3.38Å; F168-S171 VanDerWaalsContact CB-OG 3.28Å; F168-S171 WeakPolarHBondContact CB-OG 3.4Å; F168-S171 PolarHBondContact O-OG 3.43Å; P169-S171 PolarHBondContact O-N 3.37Å; P169-S171 VanDerWaalsContact O-N 3.16Å
172R79.6Confident83.2Confident187 Ų18770.9 Ų70.971%0.70636%0.361SS*.PPolyproline II helixtrans-92.7130.5176.5-67.1-174.7-179.4-168.6-1.2110.3F174R172-F174 HydrophobicContact CB-CE2 4.12Å; R172-F174 HydrophobicContact CB-CZ 4.29Å
173L84.7Confident83.2Confident32 Ų3264.8 Ų64.817%0.16834%0.336CS..EExtended strand (participates in β ladder)trans-90.1128.1174.8-166.284.1000110.9L113 L140 C142 R157L113-L173 HydrophobicContact CD1-CD1 3.91Å; L140-L173 HydrophobicContact CB-CD1 4.05Å; C142-L173 HydrophobicContact CB-CD2 4.31Å; C142-L173 HydrophobicContact CB-CG 4.47Å; R157-L173 HydrophobicContact CG-CD2 4.07Å
174F85.4Confident83.3Confident31 Ų3165 Ų6514%0.13634%0.337CS..EExtended strand (participates in β ladder)trans-107.8120.6175.9-64.4-85.1000110.7L140 V141 C142 R172 L185 H188L140-F174 PolarHBondContact O-N 3.34Å; V141-F174 CarbonylContact C-O 3.6Å; V141-F174 VanDerWaalsContact CA-O 3.29Å; V141-F174 WeakPolarHBondContact CA-O 3.43Å; V141-F174 HydrophobicContact CG2-CB 4.44Å; C142-F174 PolarHBondContact N-O 3.25Å; R172-F174 HydrophobicContact CB-CE2 4.12Å; R172-F174 HydrophobicContact CB-CZ 4.29Å; F174-L185 HydrophobicContact CD2-CD1 3.96Å; F174-L185 HydrophobicContact CE2-CD1 4.4Å; F174-L185 HydrophobicContact CG-CD1 4.15Å; F174-H188 HydrophobicContact CE1-CB 4.21Å; F174-H188 HydrophobicContact CE2-CB 4.38Å; F174-H188 AromaticContact CE2-CD2 3.47Å; F174-H188 VanDerWaalsContact CE2-CD2 3.47Å; F174-H188 WeakPolarHBondContact CE2-CD2 3.35Å; F174-H188 AromaticContact CE2-CG 3.88Å; F174-H188 AromaticContact CE2-NE2 3.92Å; F174-H188 HydrophobicContact CZ-CB 3.71Å; F174-H188 AromaticContact CZ-CD2 3.55Å; F174-H188 AromaticContact CZ-CG 3.43Å; F174-H188 VanDerWaalsContact CZ-CG 3.43Å; F174-H188 AromaticContact CZ-ND1 3.91Å
175P84.9Confident83.5Confident24 Ų2464.8 Ų64.816%0.15634%0.336CS..EExtended strand (participates in β ladder)trans-72.5129.1166.931-31.3000108.8L145 D181L145-P175 HydrophobicContact CD2-CB 4.38Å; P175-D181 WeakPolarHBondContact O-CB 3.26Å
176L80.6Confident83.5Confident5 Ų558.9 Ų58.93%0.02631%0.308CS..  trans-111.166175.6-80.1-171.7000111.5V49 L52 V141 C142 D181 A182 L185V49-L176 HydrophobicContact CG1-CD1 3.62Å; V49-L176 HydrophobicContact CG2-CD1 4.29Å; L52-L176 WeakPolarHBondContact CD1-O 3.31Å; V141-L176 HydrophobicContact CB-CD1 4.21Å; V141-L176 HydrophobicContact CB-CG 4.46Å; V141-L176 HydrophobicContact CG1-CB 3.81Å; V141-L176 HydrophobicContact CG1-CD1 3.33Å; V141-L176 HydrophobicContact CG1-CG 3.53Å; V141-L176 HydrophobicContact CG2-CD1 3.8Å; V141-L176 HydrophobicContact CG2-CG 4.11Å; C142-L176 PolarHBondContact O-N 2.98Å; L176-D181 HydrophobicContact CD2-CB 4.44Å; L176-A182 HydrophobicContact CD2-CB 4.31Å; L176-L185 HydrophobicContact CD1-CD2 3.67Å; L176-L185 HydrophobicContact CD2-CB 4.26Å; L176-L185 HydrophobicContact CD2-CD2 3.95Å; L176-L185 HydrophobicContact CG-CD2 4.18Å
177D79.5Confident83.6Confident60 Ų6059.6 Ų59.632%0.32130%0.297SS..SBendtrans-105.1-16176.1-55.3-36.1000112.4L145 S146L145-D177 VanDerWaalsContact CB-OD2 3.25Å; L145-D177 WeakPolarHBondContact CB-OD2 3.44Å; S146-D177 PolarHBondContact N-OD2 3.49Å
178S83.3Confident83.8Confident54 Ų5458.8 Ų58.838%0.37830%0.296SS..SBendtrans-135150.7-174-175.10000113Q180 D181 A182S178-Q180 PolarHBondContact O-N 3.26Å; S178-D181 WeakPolarHBondContact O-CA 3.34Å; S178-D181 WeakPolarHBondContact O-CB 3.22Å; S178-D181 PolarHBondContact O-N 2.75Å; S178-A182 PolarHBondContact O-N 2.97Å
179D81.5Confident83.9Confident70 Ų7058.7 Ų58.737%0.37430%0.296SS..Hα-helixtrans-57.7-30.9174.9-61.8-10.2000113.2D181 A182 T183D179-D181 VanDerWaalsContact C-N 3.33Å; D179-A182 PolarHBondContact O-N 2.97Å; D179-T183 PolarHBondContact O-N 3.45Å; D179-T183 PolarHBondContact O-OG1 3.28Å
180Q83Confident84Confident152 Ų15254.9 Ų54.971%0.7127%0.274SS*.Hα-helixtrans-66.1-39.5175.2-64.7-176.419.200111S178 T183 L184S178-Q180 PolarHBondContact O-N 3.26Å; Q180-T183 WeakPolarHBondContact O-CB 3.24Å; Q180-T183 PolarHBondContact O-N 3.45Å; Q180-L184 WeakPolarHBondContact O-CG 3.38Å; Q180-L184 PolarHBondContact O-N 3.38Å
181D84.3Confident84.5Confident45 Ų4550.6 Ų50.624%0.24126%0.257CS..Hα-helixtrans-71.2-36.6177.3-64.3-35.5000111.5P175 L176 S178 D179 T183 L184 L185P175-D181 WeakPolarHBondContact O-CB 3.26Å; L176-D181 HydrophobicContact CD2-CB 4.44Å; S178-D181 WeakPolarHBondContact O-CA 3.34Å; S178-D181 WeakPolarHBondContact O-CB 3.22Å; S178-D181 PolarHBondContact O-N 2.75Å; D179-D181 VanDerWaalsContact C-N 3.33Å; D181-T183 VanDerWaalsContact C-N 3.29Å; D181-T183 PolarHBondContact O-N 2.63Å; D181-L184 WeakPolarHBondContact O-CB 3.12Å; D181-L184 PolarHBondContact O-N 3.06Å; D181-L184 VanDerWaalsContact O-N 3.11Å; D181-L185 PolarHBondContact O-N 2.71Å
182A84.1Confident85Confident1 Ų150.6 Ų50.61%0.00825%0.253CS..Hα-helixtrans-57.9-42.817000000111.4L53 L176 S178 D179 L184 L185 L186L53-A182 HydrophobicContact CD2-CB 4.25Å; L176-A182 HydrophobicContact CD2-CB 4.31Å; S178-A182 PolarHBondContact O-N 2.97Å; D179-A182 PolarHBondContact O-N 2.97Å; A182-L184 VanDerWaalsContact C-N 3.33Å; A182-L184 PolarHBondContact O-N 3.49Å; A182-L185 PolarHBondContact O-N 2.91Å; A182-L186 WeakPolarHBondContact O-CG 3.45Å; A182-L186 PolarHBondContact O-N 3.44Å
183T86.4Confident85.4Confident20 Ų2052.2 Ų52.212%0.12326%0.259CS..Hα-helixtrans-63.3-38.6174.6-54.70000112F82 D179 Q180 D181 R187F82-T183 HydrophobicContact CE2-CG2 4.26Å; F82-T183 HydrophobicContact CZ-CG2 3.91Å; D179-T183 PolarHBondContact O-N 3.45Å; D179-T183 PolarHBondContact O-OG1 3.28Å; Q180-T183 WeakPolarHBondContact O-CB 3.24Å; Q180-T183 PolarHBondContact O-N 3.45Å; D181-T183 VanDerWaalsContact C-N 3.29Å; D181-T183 PolarHBondContact O-N 2.63Å; T183-R187 WeakPolarHBondContact O-CB 3.37Å; T183-R187 PolarHBondContact O-N 3.38Å
184L88.4Confident85.5Confident72 Ų7253.2 Ų53.238%0.37726%0.262SS..Hα-helixtrans-65.9-40175.9-69.7174.5000111.9Q180 D181 A182 R187 H188Q180-L184 WeakPolarHBondContact O-CG 3.38Å; Q180-L184 PolarHBondContact O-N 3.38Å; D181-L184 WeakPolarHBondContact O-CB 3.12Å; D181-L184 PolarHBondContact O-N 3.06Å; D181-L184 VanDerWaalsContact O-N 3.11Å; A182-L184 VanDerWaalsContact C-N 3.33Å; A182-L184 PolarHBondContact O-N 3.49Å; L184-R187 PolarHBondContact O-N 3.23Å; L184-H188 WeakPolarHBondContact O-CB 3.46Å; L184-H188 PolarHBondContact O-N 3.11Å
185L88.5Confident85.6Confident1 Ų158.8 Ų58.81%0.00528%0.283CS..Hα-helixtrans-64.1-48.5174.7179.164.3000111.2A139 V141 F174 L176 D181 A182 R187 H188 L189A139-L185 HydrophobicContact CB-CD1 4.18Å; V141-L185 HydrophobicContact CG2-CD1 4.23Å; V141-L185 HydrophobicContact CG2-CD2 3.81Å; F174-L185 HydrophobicContact CD2-CD1 3.96Å; F174-L185 HydrophobicContact CE2-CD1 4.4Å; F174-L185 HydrophobicContact CG-CD1 4.15Å; L176-L185 HydrophobicContact CD1-CD2 3.67Å; L176-L185 HydrophobicContact CD2-CB 4.26Å; L176-L185 HydrophobicContact CD2-CD2 3.95Å; L176-L185 HydrophobicContact CG-CD2 4.18Å; D181-L185 PolarHBondContact O-N 2.71Å; A182-L185 PolarHBondContact O-N 2.91Å; L185-R187 VanDerWaalsContact C-N 3.29Å; L185-R187 PolarHBondContact O-N 3.41Å; L185-H188 CarbonylContact O-C 3.55Å; L185-H188 WeakPolarHBondContact O-CA 3.39Å; L185-H188 WeakPolarHBondContact O-CB 3.36Å; L185-H188 PolarHBondContact O-N 3Å; L185-L189 HydrophobicContact CD1-CD1 4.37Å; L185-L189 HydrophobicContact CD1-CG 4.26Å; L185-L189 HydrophobicContact CG-CD1 4.07Å; L185-L189 HydrophobicContact CG-CG 4.39Å; L185-L189 WeakPolarHBondContact O-CG 3.47Å; L185-L189 PolarHBondContact O-N 3.14Å
186L87.8Confident85.5Confident0 Ų063.5 Ų63.50%030%0.301CS..Hα-helixtrans-57.2-43.6176.4-72.2175.5000111.8L53 A58 L77 V79 F82 F88 A182 H188 L189 G190L53-L186 HydrophobicContact CD2-CD2 4.14Å; L53-L186 HydrophobicContact CD2-CG 4.16Å; A58-L186 HydrophobicContact CB-CD1 4.09Å; L77-L186 HydrophobicContact CD2-CD1 3.95Å; L77-L186 HydrophobicContact CD2-CD2 3.96Å; V79-L186 HydrophobicContact CG2-CD1 4.48Å; F82-L186 HydrophobicContact CE2-CB 4.39Å; F88-L186 HydrophobicContact CE2-CD2 3.98Å; F88-L186 HydrophobicContact CZ-CD2 3.51Å; A182-L186 WeakPolarHBondContact O-CG 3.45Å; A182-L186 PolarHBondContact O-N 3.44Å; L186-H188 VanDerWaalsContact C-N 3.31Å; L186-H188 PolarHBondContact O-N 2.86Å; L186-L189 PolarHBondContact O-N 3.45Å; L186-G190 PolarHBondContact O-N 2.64Å
187R88.7Confident85.7Confident139 Ų13964.5 Ų64.553%0.52531%0.306SS..Hα-helixtrans-62.8-38.5174.3-174.5179.867.5163.30.5111.9F82 T183 L184 L185 S191F82-R187 HydrophobicContact CE1-CB 4.35Å; F82-R187 HydrophobicContact CE1-CG 4.33Å; F82-R187 HydrophobicContact CE2-CB 4.36Å; F82-R187 HydrophobicContact CZ-CB 4.02Å; F82-R187 HydrophobicContact CZ-CG 4.49Å; T183-R187 WeakPolarHBondContact O-CB 3.37Å; T183-R187 PolarHBondContact O-N 3.38Å; L184-R187 PolarHBondContact O-N 3.23Å; L185-R187 VanDerWaalsContact C-N 3.29Å; L185-R187 PolarHBondContact O-N 3.41Å; R187-S191 WeakPolarHBondContact O-CB 3.1Å; R187-S191 PolarHBondContact O-N 3.21Å; R187-S191 VanDerWaalsContact O-N 3.11Å; R187-S191 PolarHBondContact O-OG 3.23Å
188H89.2Confident85.8Confident43 Ų4363.3 Ų63.320%0.19931%0.308CS..Hα-helixtrans-64-54.5176.3-17863.6000110.9F174 L184 L185 L186 G190 S191 Q192F174-H188 HydrophobicContact CE1-CB 4.21Å; F174-H188 HydrophobicContact CE2-CB 4.38Å; F174-H188 AromaticContact CE2-CD2 3.47Å; F174-H188 VanDerWaalsContact CE2-CD2 3.47Å; F174-H188 WeakPolarHBondContact CE2-CD2 3.35Å; F174-H188 AromaticContact CE2-CG 3.88Å; F174-H188 AromaticContact CE2-NE2 3.92Å; F174-H188 HydrophobicContact CZ-CB 3.71Å; F174-H188 AromaticContact CZ-CD2 3.55Å; F174-H188 AromaticContact CZ-CG 3.43Å; F174-H188 VanDerWaalsContact CZ-CG 3.43Å; F174-H188 AromaticContact CZ-ND1 3.91Å; L184-H188 WeakPolarHBondContact O-CB 3.46Å; L184-H188 PolarHBondContact O-N 3.11Å; L185-H188 CarbonylContact O-C 3.55Å; L185-H188 WeakPolarHBondContact O-CA 3.39Å; L185-H188 WeakPolarHBondContact O-CB 3.36Å; L185-H188 PolarHBondContact O-N 3Å; L186-H188 VanDerWaalsContact C-N 3.31Å; L186-H188 PolarHBondContact O-N 2.86Å; H188-G190 VanDerWaalsContact C-N 3.26Å; H188-G190 PolarHBondContact O-N 3.37Å; H188-S191 PolarHBondContact O-N 3.2Å; H188-S191 PolarHBondContact O-OG 3.04Å; H188-Q192 VanDerWaalsContact O-CB 3.25Å; H188-Q192 WeakPolarHBondContact O-CB 3.45Å; H188-Q192 PolarHBondContact O-N 3.18Å
189L88.2Confident85.9Confident0 Ų062.1 Ų62.10%030%0.296CS..Hα-helixtrans-54.7-43.6179.4-67.3171.9000111.8V35 F86 F88 V110 A139 L185 L186 S191V35-L189 HydrophobicContact CG1-CD1 4.2Å; V35-L189 HydrophobicContact CG2-CD1 4.27Å; F86-L189 HydrophobicContact CE1-CB 4.15Å; F88-L189 HydrophobicContact CE1-CD1 4.28Å; F88-L189 HydrophobicContact CZ-CD1 4.45Å; V110-L189 HydrophobicContact CG2-CD1 4.14Å; V110-L189 HydrophobicContact CG2-CD2 3.99Å; A139-L189 HydrophobicContact CB-CD2 4.05Å; L185-L189 HydrophobicContact CD1-CD1 4.37Å; L185-L189 HydrophobicContact CD1-CG 4.26Å; L185-L189 HydrophobicContact CG-CD1 4.07Å; L185-L189 HydrophobicContact CG-CG 4.39Å; L185-L189 WeakPolarHBondContact O-CG 3.47Å; L185-L189 PolarHBondContact O-N 3.14Å; L186-L189 PolarHBondContact O-N 3.45Å; L189-S191 PolarHBondContact O-N 3.12Å
190G84.4Confident86.2Confident17 Ų1760.1 Ų60.118%0.17528%0.283CS..Hα-helixtrans-66.4-33.7177.700000115.4Q84 L186 H188Q84-G190 PolarHBondContact NE2-O 3.14Å; L186-G190 PolarHBondContact O-N 2.64Å; H188-G190 VanDerWaalsContact C-N 3.26Å; H188-G190 PolarHBondContact O-N 3.37Å
191S85.9Confident86.4Confident72 Ų7254.5 Ų54.550%0.50326%0.261SS..Hα-helixtrans-99.5-11.2-176.362.40000114R187 H188 L189R187-S191 WeakPolarHBondContact O-CB 3.1Å; R187-S191 PolarHBondContact O-N 3.21Å; R187-S191 VanDerWaalsContact O-N 3.11Å; R187-S191 PolarHBondContact O-OG 3.23Å; H188-S191 PolarHBondContact O-N 3.2Å; H188-S191 PolarHBondContact O-OG 3.04Å; L189-S191 PolarHBondContact O-N 3.12Å
192Q87.3Confident86.6Confident38 Ų3856.7 Ų56.718%0.17827%0.266CS..SBendtrans-61141.5-177.2-174.3174.27.600111.3H138 H188 Q194H138-Q192 PolarHBondContact O-NE2 3.4Å; H188-Q192 VanDerWaalsContact O-CB 3.25Å; H188-Q192 WeakPolarHBondContact O-CB 3.45Å; H188-Q192 PolarHBondContact O-N 3.18Å; Q192-Q194 PolarHBondContact O-N 2.81Å; Q192-Q194 PolarHBondContact O-NE2 3.14Å
193R86.9Confident86.9Confident221 Ų22157 Ų5783%0.83427%0.267SS*.PPolyproline II helixtrans-70.3124.5171.4-174.7176.971.3-177.71.4108.7S137S137-R193 PolarHBondContact OG-O 2.88Å
194Q87.1Confident87.2Confident52 Ų5256.2 Ų56.224%0.24326%0.262CS..PPolyproline II helixtrans-79.5129.6-179-58.6-55.9-38.100111.3L25 H33 D107 S108 S137 Q192L25-Q194 HydrophobicContact CD2-CG 3.68Å; H33-Q194 PolarHBondContact CE1-NE2 2.88Å; D107-Q194 PolarHBondContact O-OE1 3.48Å; D107-Q194 VanDerWaalsContact O-OE1 3.13Å; S108-Q194 PolarHBondContact OG-OE1 3.07Å; S137-Q194 WeakPolarHBondContact OG-CA 3.43Å; Q192-Q194 PolarHBondContact O-N 2.81Å; Q192-Q194 PolarHBondContact O-NE2 3.14Å
195R87.4Confident87.4Confident149 Ų14953 Ų5356%0.56225%0.245SC*.PPolyproline II helixtrans-81.6117.2172.1-174.9177.2178.3-166.77.1108.9L135 S137 L197L135-R195 WeakPolarHBondContact O-CD 3.43Å; L135-R195 PolarHBondContact O-NH1 3.1Å; L135-R195 VanDerWaalsContact O-NH1 3.17Å; S137-R195 PolarHBondContact OG-N 3.21Å; R195-L197 PolarHBondContact O-N 3.18Å
196K82.8Confident87.5Confident122 Ų12253.1 Ų53.153%0.5325%0.246SC..  trans-81.6113.4177.9-67.5-178.9175.8-179.80110.3E21 G198E21-K196 VanDerWaalsContact CD-NZ 3.28Å; E21-K196 IonicContact OE1-NZ 2.81Å; E21-K196 PolarHBondContact OE1-NZ 2.99Å; K196-G198 PolarHBondContact O-N 3.17Å
197L84.9Confident87.7Confident27 Ų2753.6 Ų53.614%0.14125%0.248CC..  trans-72.2125.7168.5-7280.1000109.1G134 A136 R195 F199 R200 S201G134-L197 VanDerWaalsContact O-CD2 3.26Å; G134-L197 WeakPolarHBondContact O-CD2 2.95Å; A136-L197 HydrophobicContact CB-CD1 3.99Å; R195-L197 PolarHBondContact O-N 3.18Å; L197-F199 VanDerWaalsContact C-N 3.3Å; L197-F199 PolarHBondContact O-N 2.93Å; L197-R200 HydrophobicContact CB-CB 3.96Å; L197-R200 PolarHBondContact O-N 3.37Å; L197-S201 WeakPolarHBondContact O-CB 3.29Å; L197-S201 PolarHBondContact O-N 3.06Å; L197-S201 PolarHBondContact O-OG 3.4Å
198G82.4Confident87.8Confident35 Ų3547 Ų4736%0.36122%0.223SC..THydrogen-bonded Turntrans-61.2-37.1-176.500000113.4K196 R202K196-G198 PolarHBondContact O-N 3.17Å; G198-R202 VanDerWaalsContact O-CD 3.26Å; G198-R202 WeakPolarHBondContact O-CD 3.46Å; G198-R202 VanDerWaalsContact O-CG 3.24Å; G198-R202 WeakPolarHBondContact O-CG 3.36Å
199F85.6Confident87.7Confident29 Ų2945.3 Ų45.313%0.12722%0.216CC..THydrogen-bonded Turntrans-68.9-46.9178.6-174.4-112.9000112.4L197 R203 F595 T634 P637 A638L197-F199 VanDerWaalsContact C-N 3.3Å; L197-F199 PolarHBondContact O-N 2.93Å; F199-R203 PolarHBondContact O-NH1 2.84Å; F199-R203 VanDerWaalsContact O-NH1 3.16Å; F199-F595 AromaticContact CD1-CD2 3.94Å; F199-F595 HydrophobicContact CD1-CD2 3.94Å; F199-F595 AromaticContact CD1-CE2 3.68Å; F199-F595 HydrophobicContact CD1-CE2 3.68Å; F199-F595 HydrophobicContact CD1-CZ 4.49Å; F199-F595 HydrophobicContact CE1-CB 4.49Å; F199-F595 AromaticContact CE1-CD2 3.07Å; F199-F595 HydrophobicContact CE1-CD2 3.07Å; F199-F595 AromaticContact CE1-CE2 3.31Å; F199-F595 HydrophobicContact CE1-CE2 3.31Å; F199-F595 AromaticContact CE1-CG 3.91Å; F199-F595 HydrophobicContact CE1-CG 3.91Å; F199-F595 HydrophobicContact CE1-CZ 4.34Å; F199-F595 AromaticContact CZ-CD2 3.7Å; F199-F595 HydrophobicContact CZ-CD2 3.7Å; F199-F595 HydrophobicContact CZ-CE2 4.22Å; F199-T634 HydrophobicContact CE2-CG2 3.76Å; F199-T634 HydrophobicContact CZ-CG2 4.24Å; F199-P637 VanDerWaalsContact CB-O 3.27Å; F199-P637 WeakPolarHBondContact CB-O 3.45Å; F199-P637 WeakPolarHBondContact CD2-O 3.31Å; F199-A638 HydrophobicContact CD2-CB 3.67Å; F199-A638 HydrophobicContact CE2-CB 3.67Å; F199-A638 HydrophobicContact CG-CB 4.41Å; F199-A638 HydrophobicContact CZ-CB 4.39Å
200R87.6Confident87.5Confident27 Ų2752.3 Ų52.310%0.10224%0.242CC..G310 helixtrans-67.3-40.3179.8-170.4-174.183.9174.910.3112.9K104 V105 A106 D107 L197 R202 R203 H205K104-R200 WeakPolarHBondContact O-CD 3.44Å; V105-R200 PolarHBondContact O-NH1 3.49Å; V105-R200 VanDerWaalsContact O-NH1 3.11Å; A106-R200 PolarHBondContact O-NH1 2.87Å; D107-R200 IonicContact OD1-CZ 2.69Å; D107-R200 IonicContact OD1-NH1 3.81Å; D107-R200 PolarHBondContact OD1-NH1 2.8Å; D107-R200 IonicContact OD1-NH2 3.05Å; D107-R200 PolarHBondContact OD1-NH2 3.38Å; L197-R200 HydrophobicContact CB-CB 3.96Å; L197-R200 PolarHBondContact O-N 3.37Å; R200-R202 PolarHBondContact O-N 3.5Å; R200-R203 PolarHBondContact O-N 3.06Å; R200-H205 WeakPolarHBondContact CG-CE1 3.44Å
201S86.7Confident87.7Confident35 Ų3552.7 Ų52.725%0.24524%0.241CC..G310 helixtrans-72.9-13.1-174.5-52.70000113.8L197 R242L197-S201 WeakPolarHBondContact O-CB 3.29Å; L197-S201 PolarHBondContact O-N 3.06Å; L197-S201 PolarHBondContact O-OG 3.4Å; S201-R242 PolarHBondContact O-NE 2.99Å
202R88.4Confident87.9Confident91 Ų9151.7 Ų51.734%0.34324%0.237SC..G310 helixtrans-97.2-12.9-178.3-69.4173.5-174.8-149.4-2.9113.1G198 R200 L517G198-R202 VanDerWaalsContact O-CD 3.26Å; G198-R202 WeakPolarHBondContact O-CD 3.46Å; G198-R202 VanDerWaalsContact O-CG 3.24Å; G198-R202 WeakPolarHBondContact O-CG 3.36Å; R200-R202 PolarHBondContact O-N 3.5Å; R202-L517 HydrophobicContact CB-CD2 4.12Å; R202-L517 HydrophobicContact CG-CD2 4.25Å
203R90.7Very high87.9Confident7 Ų752.2 Ų52.23%0.02624%0.239CC..SBendtrans-120.9148.1-179.5-65.7177.3-174.274.2-3.2109.5F199 R200 V557 L560 E563 F635F199-R203 PolarHBondContact O-NH1 2.84Å; F199-R203 VanDerWaalsContact O-NH1 3.16Å; R200-R203 PolarHBondContact O-N 3.06Å; R203-V557 HydrophobicContact CB-CG1 4.05Å; R203-L560 HydrophobicContact CG-CD1 4.39Å; R203-L560 HydrophobicContact CG-CG 4.27Å; R203-E563 IonicContact CZ-OE1 3.64Å; R203-E563 IonicContact NE-OE1 2.59Å; R203-E563 PolarHBondContact NE-OE1 3.2Å; R203-E563 IonicContact NE-OE2 3.67Å; R203-E563 PolarHBondContact NE-OE2 3.49Å; R203-E563 IonicContact NH2-OE1 3.54Å; R203-E563 PolarHBondContact NH2-OE1 3.07Å; R203-F635 PolarHBondContact NH2-O 2.96Å
204S91.4Very high87.9Confident3 Ų344.2 Ų44.22%0.02121%0.214CC..  trans-79.2137.5166.851.80000108.9R240 R242 L244 S558S204-R240 WeakPolarHBondContact CA-O 3.11Å; S204-R242 WeakPolarHBondContact CB-O 3.42Å; S204-L244 WeakPolarHBondContact OG-CD1 3.38Å; S204-S558 PolarHBondContact O-N 3.34Å; S204-S558 WeakPolarHBondContact OG-CB 3.34Å
205H92.6Very high87.8Confident5 Ų546.4 Ų46.42%0.02323%0.233CC..EExtended strand (participates in β ladder)trans-144.1156179.159.2-71000109.5R200 R240 L556 V557R200-H205 WeakPolarHBondContact CG-CE1 3.44Å; H205-R240 VanDerWaalsContact CE1-CB 3.49Å; H205-R240 WeakPolarHBondContact CE1-CB 3.4Å; H205-R240 PolarHBondContact N-O 3.19Å; H205-R240 PolarHBondContact ND1-O 2.92Å; H205-R240 WeakPolarHBondContact NE2-CB 3.35Å; H205-R240 PolarHBondContact O-N 3.47Å; H205-L556 CarbonylContact C-O 3.5Å; H205-L556 WeakPolarHBondContact CA-O 3.44Å; H205-L556 WeakPolarHBondContact CB-O 3.28Å; H205-V557 HydrophobicContact CB-CG2 3.94Å
206L91.9Very high87.4Confident4 Ų442.9 Ų42.92%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-142.9140.2-175.5-178.5146.6000108.6V235 G237 V239 V533 L535 L556L206-V235 HydrophobicContact CD2-CG1 4.07Å; L206-G237 WeakPolarHBondContact CD1-O 3.33Å; L206-V239 HydrophobicContact CD1-CG2 4.46Å; L206-V533 HydrophobicContact CD1-CG2 3.65Å; L206-L535 HydrophobicContact CD1-CD1 4.32Å; L206-L556 HydrophobicContact CB-CB 4.32Å; L206-L556 HydrophobicContact CD2-CD1 3.74Å; L206-L556 PolarHBondContact N-O 3.32Å; L206-L556 PolarHBondContact O-N 3.03Å
207L91.4Very high86.3Confident9 Ų939.8 Ų39.85%0.04723%0.229CC..EExtended strand (participates in β ladder)trans-99129168-178.569.8000107.9L34 V68 L89 V105 E209 P553 V555L34-L207 HydrophobicContact CD1-CD2 4.05Å; L34-L207 HydrophobicContact CD2-CD2 3.98Å; V68-L207 HydrophobicContact CG1-CD2 4.39Å; V68-L207 HydrophobicContact CG1-CG 4.41Å; V68-L207 HydrophobicContact CG2-CD2 3.75Å; V68-L207 HydrophobicContact CG2-CG 4.33Å; L89-L207 HydrophobicContact CD1-CD2 3.68Å; V105-L207 HydrophobicContact CG1-CB 4.16Å; L207-E209 PolarHBondContact O-N 3.09Å; L207-P553 HydrophobicContact CD1-CB 4.43Å; L207-V555 HydrophobicContact CD1-CG2 3.99Å
208A90.6Very high84.7Confident0 Ų044.9 Ų44.90%026%0.263CS..  trans-70.3115.1-177.900000111.3V68 V211 V235 L554V68-A208 WeakPolarHBondContact CG1-O 3.29Å; A208-V211 HydrophobicContact CB-CG2 3.78Å; A208-V235 HydrophobicContact CB-CG1 3.41Å; A208-V235 VanDerWaalsContact CB-CG1 3.41Å; A208-L554 HydrophobicContact CB-CB 3.85Å; A208-L554 HydrophobicContact CB-CD2 3.8Å; A208-L554 HydrophobicContact CB-CG 4.44Å; A208-L554 WeakPolarHBondContact CB-O 3.39Å; A208-L554 PolarHBondContact N-O 2.85Å
209E86.6Confident83Confident9 Ų952 Ų524%0.04229%0.289CS..SBendtrans-90.3-50.7174.8-73-164.6168.800111.5C67 V68 S69 L207 S236 Y238 Y532C67-E209 CarbonylContact O-C 3.59Å; C67-E209 WeakPolarHBondContact O-CA 3.46Å; C67-E209 WeakPolarHBondContact O-CB 3.34Å; C67-E209 VanDerWaalsContact O-CG 3.23Å; C67-E209 WeakPolarHBondContact O-CG 3.37Å; V68-E209 HydrophobicContact CG2-CG 4.43Å; S69-E209 WeakPolarHBondContact CB-O 3.48Å; S69-E209 PolarHBondContact N-O 3.37Å; S69-E209 PolarHBondContact OG-O 2.79Å; L207-E209 PolarHBondContact O-N 3.09Å; E209-S236 WeakPolarHBondContact CA-O 3.46Å; E209-S236 WeakPolarHBondContact CB-O 3.39Å; E209-S236 PolarHBondContact N-O 3.27Å; E209-Y238 WeakPolarHBondContact OE1-CD2 3.41Å; E209-Y238 VanDerWaalsContact OE1-CE2 3.23Å; E209-Y238 WeakPolarHBondContact OE1-CE2 3.34Å; E209-Y238 WeakPolarHBondContact OE2-CE2 3.36Å; E209-Y532 WeakPolarHBondContact OE2-CE2 3.47Å
210R85.5Confident81Confident147 Ų14759.9 Ų59.956%0.55533%0.327SS*.EExtended strand (participates in β ladder)trans-122130.7174.7-61.5-178.6177.7173-0.4109.8S69 S236S69-R210 WeakPolarHBondContact OG-CA 3.09Å; R210-S236 PolarHBondContact N-O 3.11Å; R210-S236 PolarHBondContact O-N 2.95Å
211V88.1Confident78.9Confident24 Ų2462.6 Ų62.615%0.14536%0.363CS..EExtended strand (participates in β ladder)trans-121.5125.9177.9-176.60000108.7S69 A208 L233 R234 V235 M545 V548S69-V211 PolarHBondContact OG-N 2.87Å; A208-V211 HydrophobicContact CB-CG2 3.78Å; V211-L233 HydrophobicContact CG1-CD1 3.55Å; V211-L233 HydrophobicContact CG1-CD2 4.5Å; V211-L233 HydrophobicContact CG1-CG 4.22Å; V211-R234 WeakPolarHBondContact CA-O 3.37Å; V211-V235 HydrophobicContact CG1-CG2 4.49Å; V211-V235 HydrophobicContact CG2-CG1 4.31Å; V211-M545 HydrophobicContact CB-SD 4.47Å; V211-M545 HydrophobicContact CG1-SD 3.79Å; V211-V548 HydrophobicContact CB-CG1 4.44Å; V211-V548 HydrophobicContact CG2-CG1 4.36Å
212A89.1Confident76.7Confident52 Ų5265.5 Ų65.543%0.4338%0.383SS..EExtended strand (participates in β ladder)trans-127.6135.8171.700000109.1R234A212-R234 HydrophobicContact CB-CB 4.27Å; A212-R234 PolarHBondContact N-O 3.06Å; A212-R234 WeakPolarHBondContact O-CA 3.27Å; A212-R234 PolarHBondContact O-N 2.78Å
213F88.4Confident74.2Confident48 Ų4865.8 Ų65.821%0.21141%0.414CS..EExtended strand (participates in β ladder)trans-112.3126.1179-179.2-98.8000109.5P215 G231 L233 V542 M545F213-P215 HydrophobicContact CE1-CB 3.98Å; F213-G231 VanDerWaalsContact CZ-CA 3.48Å; F213-L233 HydrophobicContact CB-CD1 4.17Å; F213-L233 HydrophobicContact CD2-CD1 3.99Å; F213-V542 HydrophobicContact CE1-CG2 3.66Å; F213-V542 HydrophobicContact CZ-CG2 3.66Å; F213-M545 HydrophobicContact CB-CB 4.5Å; F213-M545 HydrophobicContact CB-CG 4.33Å
214T87.8Confident71.9Confident53 Ų5369.8 Ų69.833%0.32544%0.443SS..EExtended strand (participates in β ladder)trans-111.8111.7172.1510000108.3G231 T232T214-G231 WeakPolarHBondContact O-CA 3.39Å; T214-T232 PolarHBondContact N-O 3.44Å; T214-T232 PolarHBondContact O-N 2.99Å; T214-T232 PolarHBondContact OG1-O 3.3Å; T214-T232 VanDerWaalsContact OG1-O 3.05Å
215P83.8Confident69.2Low99 Ų9974.1 Ų74.164%0.64349%0.489SS*.EExtended strand (participates in β ladder)trans-63.6139.4178.326.4-32.7000109.7F213 G217F213-P215 HydrophobicContact CE1-CB 3.98Å; P215-G217 PolarHBondContact O-N 3.47Å
216N78.4Confident66.6Low74 Ų7476.7 Ų76.740%0.39652%0.516SS..PPolyproline II helixtrans-72.1129.9171.1-67.9-13000107.2L230 T232N216-L230 PolarHBondContact N-O 3.44Å; N216-T232 PolarHBondContact OD1-N 3.22Å; N216-T232 PolarHBondContact OD1-OG1 3.09Å; N216-T232 VanDerWaalsContact OD1-OG1 3.06Å
217G60.9Low64.5Low58 Ų5881.7 Ų81.760%0.59855%0.549SS*.PPolyproline II helixtrans-59156.3174.300000110.9P215 M219P215-G217 PolarHBondContact O-N 3.47Å; G217-M219 PolarHBondContact O-N 3.24Å
218P51.5Low62.8Low134 Ų13487.7 Ų87.787%0.8759%0.591SS**  trans-61.4107.7175.425.9-31.7000108.6E220P218-E220 PolarHBondContact O-N 2.84Å
219M46.9Very low61.7Low184 Ų18489.1 Ų89.191%0.90661%0.607SS**  trans-77.8103.7175.9-151.9172.6-160.800107.5G217 G221G217-M219 PolarHBondContact O-N 3.24Å; M219-G221 PolarHBondContact O-N 3.07Å
220E43.6Very low61.5Low195 Ų19592.2 Ų92.291%0.91162%0.623SS**THydrogen-bonded Turntrans-59.4117.4168.6-70.9-176.6155.700109P218P218-E220 PolarHBondContact O-N 2.84Å
221G41.8Very low61.6Low83 Ų8385.2 Ų85.286%0.85660%0.597SS**THydrogen-bonded Turntrans140.52.1160.400000120.3M219M219-G221 PolarHBondContact O-N 3.07Å
222S40.8Very low61.7Low97 Ų9785.4 Ų85.468%0.67860%0.598SS**  trans-120.4109170.159.40000111.7S224S222-S224 PolarHBondContact O-N 3.46Å
223G37.5Very low61.8Low96 Ų9682.9 Ų82.999%0.9958%0.577SS**  trans-72.758.1-175.700000115
224S41.3Very low62Low92 Ų9286 Ų8664%0.64359%0.588SS**SBendtrans-142.8110166.158.80000108.9S222 G226S222-S224 PolarHBondContact O-N 3.46Å; S224-G226 PolarHBondContact O-N 3.29Å
225G35.3Very low62.2Low94 Ų9483.5 Ų83.597%0.96957%0.572SS**  trans-60.686.3-174.800000114
226G38.4Very low62.6Low59 Ų5979.6 Ų79.661%0.60855%0.547SS*.  trans-84.5151.3166.100000111.4S224 S228S224-G226 PolarHBondContact O-N 3.29Å; G226-S228 PolarHBondContact O-N 3.07Å
227P47.8Very low63.3Low109 Ų10976.1 Ų76.171%0.70853%0.528SS*.  trans-64.6128.9-173.525.2-32.1000111.9G229P227-G229 VanDerWaalsContact C-N 3.26Å; P227-G229 PolarHBondContact O-N 3.01Å
228S55.2Low64.7Low134 Ų13473.5 Ų73.594%0.93750%0.501SS*.SBendtrans-7171.8178.968.70000112G226G226-S228 PolarHBondContact O-N 3.07Å
229G66.9Low66.6Low31 Ų3167.2 Ų67.232%0.3246%0.46SS..  trans-166.118.4-177.400000115.2P227 V542P227-G229 VanDerWaalsContact C-N 3.26Å; P227-G229 PolarHBondContact O-N 3.01Å; G229-V542 WeakPolarHBondContact O-CG2 3.4Å; G229-V542 PolarHBondContact O-N 2.8Å
230L82.6Confident68.7Low74 Ų7459 Ų5939%0.38742%0.419SS..EExtended strand (participates in β ladder)trans-96.3141.3175.5-61.6177000110.2N216 P541N216-L230 PolarHBondContact N-O 3.44Å; L230-P541 HydrophobicContact CD2-CB 4.25Å
231G87.3Confident70.7Confident0 Ų051 Ų510%039%0.388CS..EExtended strand (participates in β ladder)trans-151.3177.4178.900000113.1F213 T214 D539 V540F213-G231 VanDerWaalsContact CZ-CA 3.48Å; T214-G231 WeakPolarHBondContact O-CA 3.39Å; G231-D539 PolarHBondContact O-N 2.88Å; G231-V540 PolarHBondContact N-O 3.23Å; G231-V540 PolarHBondContact O-N 3.41Å
232T90.7Very high73Confident27 Ų2751.5 Ų51.517%0.16636%0.364CS..EExtended strand (participates in β ladder)trans-91.6121175.6-56.60000109.3T214 N216 H536 I537T214-T232 PolarHBondContact N-O 3.44Å; T214-T232 PolarHBondContact O-N 2.99Å; T214-T232 PolarHBondContact OG1-O 3.3Å; T214-T232 VanDerWaalsContact OG1-O 3.05Å; N216-T232 PolarHBondContact OD1-N 3.22Å; N216-T232 PolarHBondContact OD1-OG1 3.09Å; N216-T232 VanDerWaalsContact OD1-OG1 3.06Å; T232-H536 HydrophobicContact CG2-CB 4.23Å; T232-I537 CarbonylContact C-O 3.54Å; T232-I537 VanDerWaalsContact CA-O 3.29Å; T232-I537 WeakPolarHBondContact CA-O 3.47Å; T232-I537 WeakPolarHBondContact CG2-O 3.35Å
233L91.6Very high75.2Confident0 Ų047.4 Ų47.40%034%0.336CS..EExtended strand (participates in β ladder)trans-94123.6177.5-169.373.4000109.9V211 F213 V235 I252 L535 H536 I537 V540 V544 L554V211-L233 HydrophobicContact CG1-CD1 3.55Å; V211-L233 HydrophobicContact CG1-CD2 4.5Å; V211-L233 HydrophobicContact CG1-CG 4.22Å; F213-L233 HydrophobicContact CB-CD1 4.17Å; F213-L233 HydrophobicContact CD2-CD1 3.99Å; L233-V235 HydrophobicContact CD2-CG2 3.45Å; L233-V235 VanDerWaalsContact CD2-CG2 3.45Å; L233-V235 HydrophobicContact CG-CG2 3.63Å; L233-I252 HydrophobicContact CD2-CD1 4.39Å; L233-L535 VanDerWaalsContact O-O 3.12Å; L233-H536 WeakPolarHBondContact O-CA 3.18Å; L233-I537 HydrophobicContact CB-CB 4.38Å; L233-I537 HydrophobicContact CD2-CD1 4.46Å; L233-I537 PolarHBondContact N-O 3.03Å; L233-I537 PolarHBondContact O-N 3.38Å; L233-V540 HydrophobicContact CB-CB 4.11Å; L233-V540 HydrophobicContact CB-CG1 4.26Å; L233-V540 HydrophobicContact CB-CG2 3.92Å; L233-V540 HydrophobicContact CD2-CG1 4.25Å; L233-V544 HydrophobicContact CD2-CG1 4.19Å; L233-L554 HydrophobicContact CD2-CD1 4.49Å
234R92.2Very high77.7Confident114 Ų11443.2 Ų43.243%0.4329%0.291SS..EExtended strand (participates in β ladder)trans-98.5111.6172-63-174.9179.6177.91.5109.1V211 A212 T534 L535 H536V211-R234 WeakPolarHBondContact CA-O 3.37Å; A212-R234 HydrophobicContact CB-CB 4.27Å; A212-R234 PolarHBondContact N-O 3.06Å; A212-R234 WeakPolarHBondContact O-CA 3.27Å; A212-R234 PolarHBondContact O-N 2.78Å; R234-T534 HydrophobicContact CB-CG2 4.19Å; R234-L535 CarbonylContact C-O 3.57Å; R234-L535 VanDerWaalsContact CA-O 3.28Å; R234-L535 WeakPolarHBondContact CA-O 3.26Å; R234-H536 PolarHBondContact NE-CE1 3.25Å; R234-H536 VanDerWaalsContact NE-CE1 3.33Å; R234-H536 PolarHBondContact NE-ND1 3.04Å
235V92.5Very high79.9Confident0 Ų040.3 Ų40.30%027%0.267CS..EExtended strand (participates in β ladder)trans-117.3118.9179.3-173.20000110.4L206 A208 V211 L233 T534 L535 I537 L554 L556L206-V235 HydrophobicContact CD2-CG1 4.07Å; A208-V235 HydrophobicContact CB-CG1 3.41Å; A208-V235 VanDerWaalsContact CB-CG1 3.41Å; V211-V235 HydrophobicContact CG1-CG2 4.49Å; V211-V235 HydrophobicContact CG2-CG1 4.31Å; L233-V235 HydrophobicContact CD2-CG2 3.45Å; L233-V235 VanDerWaalsContact CD2-CG2 3.45Å; L233-V235 HydrophobicContact CG-CG2 3.63Å; V235-T534 CarbonylContact O-C 3.47Å; V235-T534 WeakPolarHBondContact O-CA 3.3Å; V235-L535 PolarHBondContact N-O 3.32Å; V235-L535 PolarHBondContact O-N 2.85Å; V235-I537 HydrophobicContact CG2-CD1 4.31Å; V235-L554 HydrophobicContact CG1-CD2 4.42Å; V235-L554 HydrophobicContact CG2-CD2 4.49Å; V235-L556 HydrophobicContact CB-CD1 3.71Å; V235-L556 HydrophobicContact CG1-CD1 3.39Å; V235-L556 HydrophobicContact CG2-CD1 4.03Å
236S92.1Very high82.5Confident17 Ų1736 Ų3612%0.11922%0.223CC..EExtended strand (participates in β ladder)trans-101136.5176.2-51.40000111.5E209 R210 Y532 V533 T534E209-S236 WeakPolarHBondContact CA-O 3.46Å; E209-S236 WeakPolarHBondContact CB-O 3.39Å; E209-S236 PolarHBondContact N-O 3.27Å; R210-S236 PolarHBondContact N-O 3.11Å; R210-S236 PolarHBondContact O-N 2.95Å; S236-Y532 WeakPolarHBondContact CB-OH 3.37Å; S236-V533 CarbonylContact C-O 3.56Å; S236-V533 WeakPolarHBondContact CA-O 3.12Å; S236-T534 PolarHBondContact OG-OG1 3.19Å
237G91.5Very high84.9Confident0 Ų035.2 Ų35.20%021%0.205CC..EExtended strand (participates in β ladder)trans-179.4-179.2175.800000112.9L206 V533L206-G237 WeakPolarHBondContact CD1-O 3.33Å; G237-V533 PolarHBondContact N-O 2.64Å; G237-V533 PolarHBondContact O-N 2.78Å
238Y91.6Very high86.9Confident4 Ų431.6 Ų31.62%0.01618%0.177CC..EExtended strand (participates in β ladder)trans-89.2131.5178.7-62.2-85.6000112P31 P32 E209 D268 W531 Y532P31-Y238 HydrophobicContact CB-CG 4.4Å; P32-Y238 HydrophobicContact CG-CD2 4.07Å; P32-Y238 HydrophobicContact CG-CE1 4.21Å; P32-Y238 HydrophobicContact CG-CE2 3.67Å; P32-Y238 HydrophobicContact CG-CG 4.49Å; E209-Y238 WeakPolarHBondContact OE1-CD2 3.41Å; E209-Y238 VanDerWaalsContact OE1-CE2 3.23Å; E209-Y238 WeakPolarHBondContact OE1-CE2 3.34Å; E209-Y238 WeakPolarHBondContact OE2-CE2 3.36Å; Y238-D268 PolarHBondContact OH-OD1 3.44Å; Y238-W531 WeakPolarHBondContact CA-O 3.09Å; Y238-Y532 AromaticContact CD1-CD2 3.99Å; Y238-Y532 HydrophobicContact CD1-CD2 3.99Å; Y238-Y532 HydrophobicContact CD2-CD2 4.02Å; Y238-Y532 HydrophobicContact CD2-CE2 4.47Å; Y238-Y532 AromaticContact CE1-CD2 3.81Å; Y238-Y532 HydrophobicContact CE1-CD2 3.81Å; Y238-Y532 HydrophobicContact CE1-CG 4.22Å; Y238-Y532 AromaticContact CE2-CD2 3.84Å; Y238-Y532 HydrophobicContact CE2-CD2 3.84Å; Y238-Y532 HydrophobicContact CE2-CE2 4.19Å; Y238-Y532 HydrophobicContact CG-CD2 4.1Å; Y238-Y532 AromaticContact CZ-CD2 3.74Å
239V92Very high88.7Confident1 Ų125.2 Ų25.21%0.00613%0.132CC..EExtended strand (participates in β ladder)trans-71.6128.7173.1-1770000110.1L206 L244 A527 G530 W531 V533L206-V239 HydrophobicContact CD1-CG2 4.46Å; V239-L244 HydrophobicContact CG1-CB 4.11Å; V239-L244 HydrophobicContact CG2-CB 4.47Å; V239-L244 HydrophobicContact CG2-CD2 4.32Å; V239-A527 HydrophobicContact CG2-CB 4.35Å; V239-G530 PolarHBondContact O-N 2.9Å; V239-W531 PolarHBondContact N-O 3.01Å; V239-V533 HydrophobicContact CG2-CB 4.32Å; V239-V533 HydrophobicContact CG2-CG1 3.89Å; V239-V533 HydrophobicContact CG2-CG2 3.43Å; V239-V533 VanDerWaalsContact CG2-CG2 3.43Å
240R89.9Confident89.9Confident13 Ų1323.9 Ų23.95%0.04912%0.118CC..EExtended strand (participates in β ladder)trans-124.5150.3176.2-60.2-176.8-172.3-100.2-10.6111P31 P32 D107 S204 H205 R242P31-R240 HydrophobicContact CB-CG 4.47Å; P31-R240 HydrophobicContact CG-CG 4.22Å; P32-R240 VanDerWaalsContact O-CZ 3.25Å; P32-R240 PolarHBondContact O-NH1 2.88Å; P32-R240 PolarHBondContact O-NH2 2.95Å; D107-R240 IonicContact OD2-CZ 3.93Å; D107-R240 IonicContact OD2-NH1 3.41Å; D107-R240 PolarHBondContact OD2-NH1 3.21Å; S204-R240 WeakPolarHBondContact CA-O 3.11Å; H205-R240 VanDerWaalsContact CE1-CB 3.49Å; H205-R240 WeakPolarHBondContact CE1-CB 3.4Å; H205-R240 PolarHBondContact N-O 3.19Å; H205-R240 PolarHBondContact ND1-O 2.92Å; H205-R240 WeakPolarHBondContact NE2-CB 3.35Å; H205-R240 PolarHBondContact O-N 3.47Å; R240-R242 PolarHBondContact O-N 3.42Å
241G86.6Confident90.5Very high26 Ų2620.7 Ų20.727%0.26810%0.101SC..SBendtrans94.2-93.6175.200000113.5
242R88.4Confident90.7Very high94 Ų9420.7 Ų20.736%0.35510%0.101SC..SBendtrans-119.9173.4-178.3-70.1-67.4-178.5160.85.4111S201 S204 R240 A521S201-R242 PolarHBondContact O-NE 2.99Å; S204-R242 WeakPolarHBondContact CB-O 3.42Å; R240-R242 PolarHBondContact O-N 3.42Å; R242-A521 PolarHBondContact NH1-O 2.77Å
243A88.4Confident90.6Very high11 Ų1119.8 Ų19.89%0.09110%0.096CC..  trans-62.5138.2174.800000110.7A527 M528A243-A527 CarbonylContact C-O 3.47Å; A243-A527 VanDerWaalsContact CA-O 3.29Å; A243-A527 WeakPolarHBondContact CA-O 3.49Å; A243-M528 HydrophobicContact CB-SD 4.04Å
244L88.8Confident90.2Very high7 Ų720.9 Ų20.94%0.03711%0.107CC..BIsolated β-bridgetrans-96.7132.1178-177.170.7000110.2S204 V239 I263 G526 A527 L535S204-L244 WeakPolarHBondContact OG-CD1 3.38Å; V239-L244 HydrophobicContact CG1-CB 4.11Å; V239-L244 HydrophobicContact CG2-CB 4.47Å; V239-L244 HydrophobicContact CG2-CD2 4.32Å; L244-I263 HydrophobicContact CD2-CD1 4Å; L244-I263 HydrophobicContact CG-CD1 3.97Å; L244-G526 WeakPolarHBondContact O-CA 3.42Å; L244-A527 HydrophobicContact CB-CB 4.3Å; L244-A527 PolarHBondContact N-O 2.92Å; L244-A527 PolarHBondContact O-N 2.78Å; L244-L535 HydrophobicContact CD2-CD1 3.93Å; L244-L535 HydrophobicContact CD2-CD2 3.44Å; L244-L535 VanDerWaalsContact CD2-CD2 3.44Å; L244-L535 HydrophobicContact CD2-CG 4.31Å
245H88.6Confident89.8Confident31 Ų3117.9 Ų17.914%0.14410%0.097CC..  trans-115.7141.6178.8-67.4-92.2000111.1N247 R248 D525H245-N247 VanDerWaalsContact C-N 3.32Å; H245-N247 PolarHBondContact O-N 3.42Å; H245-R248 HydrophobicContact CB-CG 4.28Å; H245-D525 PolarHBondContact CE1-O 3.46Å; H245-D525 PolarHBondContact ND1-O 3.35Å
246A88.7Confident89.6Confident5 Ų518.5 Ų18.54%0.04110%0.104CC..THydrogen-bonded Turntrans-70.9-23.9179.100000113.8L260 I263 M304 A306A246-L260 WeakPolarHBondContact O-CB 3.39Å; A246-I263 HydrophobicContact CB-CD1 3.99Å; A246-I263 HydrophobicContact CB-CG1 4.11Å; A246-M304 HydrophobicContact CB-CB 4.28Å; A246-A306 HydrophobicContact CB-CB 4.16Å
247N89.9Confident89.6Confident42 Ų4218.9 Ų18.923%0.22511%0.105CC..THydrogen-bonded Turntrans-80.9-17.9-177.8-66.3-17.6000113.5H245 A306 D307 S310 E312H245-N247 VanDerWaalsContact C-N 3.32Å; H245-N247 PolarHBondContact O-N 3.42Å; N247-A306 WeakPolarHBondContact OD1-CA 3.42Å; N247-D307 PolarHBondContact OD1-N 3.11Å; N247-S310 PolarHBondContact ND2-OG 3.01Å; N247-E312 PolarHBondContact O-N 2.96Å; N247-E312 VanDerWaalsContact O-N 3.13Å
248R89.8Confident89.6Confident32 Ų3219.8 Ų19.812%0.12111%0.109CC..SBendtrans-81.6151.2178.2-69.9-175.1-179.3159.46.8110.6H245 D523H245-R248 HydrophobicContact CB-CG 4.28Å; R248-D523 IonicContact CZ-OD2 2.8Å; R248-D523 IonicContact NH2-OD2 3.25Å; R248-D523 PolarHBondContact NH2-OD2 3.24Å
249L92.6Very high89.7Confident1 Ų121.3 Ų21.31%0.00512%0.116CC..  trans-70.8155.5173.1-63173.7000111.2Q259 E312 L314 S558 L559 Q564L249-Q259 HydrophobicContact CD2-CB 4.27Å; L249-Q259 HydrophobicContact CD2-CG 3.57Å; L249-E312 HydrophobicContact CD1-CB 4.43Å; L249-E312 HydrophobicContact CG-CB 4.05Å; L249-L314 HydrophobicContact CD1-CD1 4.45Å; L249-L314 HydrophobicContact CD2-CD1 3.99Å; L249-S558 WeakPolarHBondContact O-CA 3.39Å; L249-L559 HydrophobicContact CB-CB 4.19Å; L249-L559 HydrophobicContact CB-CD1 3.9Å; L249-L559 HydrophobicContact CB-CG 4.43Å; L249-L559 PolarHBondContact O-N 3.41Å; L249-Q564 HydrophobicContact CD1-CB 3.58Å; L249-Q564 VanDerWaalsContact CD1-CD 3.43Å; L249-Q564 HydrophobicContact CD1-CG 3.55Å
250V93.2Very high89.6Confident2 Ų221.3 Ų21.31%0.01212%0.116CC..EExtended strand (participates in β ladder)trans-122129.8174.9173.60000109.5F258 L260 L556 V557V250-F258 PolarHBondContact N-O 3.11Å; V250-F258 PolarHBondContact O-N 2.87Å; V250-L260 HydrophobicContact CB-CG 4.35Å; V250-L260 HydrophobicContact CG2-CD1 3.35Å; V250-L260 HydrophobicContact CG2-CD2 3.99Å; V250-L260 HydrophobicContact CG2-CG 3.5Å; V250-L260 VanDerWaalsContact CG2-CG 3.5Å; V250-L556 HydrophobicContact CG1-CB 4.16Å; V250-L556 HydrophobicContact CG1-CD2 3.47Å; V250-L556 VanDerWaalsContact CG1-CD2 3.47Å; V250-L556 HydrophobicContact CG1-CG 4.43Å; V250-V557 CarbonylContact C-O 3.58Å; V250-V557 WeakPolarHBondContact CA-O 3.25Å
251H93.3Very high89.7Confident8 Ų823.1 Ų23.14%0.03713%0.131CC..EExtended strand (participates in β ladder)trans-95127.4171.6-177.468.4000110G256 D257 V557 L559 F595H251-G256 WeakPolarHBondContact CA-O 3.19Å; H251-G256 PolarHBondContact ND1-O 3.35Å; H251-G256 VanDerWaalsContact ND1-O 3.13Å; H251-D257 IonicContact CE1-OD1 3.98Å; H251-D257 IonicContact CG-OD1 3.21Å; H251-D257 IonicContact ND1-OD1 3.67Å; H251-D257 PolarHBondContact ND1-OD1 3Å; H251-V557 PolarHBondContact N-O 3.14Å; H251-V557 PolarHBondContact O-N 3.12Å; H251-L559 HydrophobicContact CB-CD1 4.27Å; H251-L559 HydrophobicContact CB-CD2 3.82Å; H251-L559 HydrophobicContact CB-CG 4.02Å; H251-F595 PolarHBondContact NE2-O 2.84Å
252I91.9Very high89.8Confident0 Ų023.6 Ų23.60%013%0.126CC..EExtended strand (participates in β ladder)trans-95.6121.4167.6-55.3-178.9000107.1L233 G254 H255 G256 F258 I537 V540 V544 L554 L556L233-I252 HydrophobicContact CD2-CD1 4.39Å; I252-G254 PolarHBondContact O-N 2.98Å; I252-G254 VanDerWaalsContact O-N 3.1Å; I252-H255 HydrophobicContact CB-CB 4.07Å; I252-H255 HydrophobicContact CG2-CB 3.95Å; I252-H255 PolarHBondContact O-N 2.93Å; I252-H255 VanDerWaalsContact O-N 3.07Å; I252-G256 PolarHBondContact N-O 3.48Å; I252-G256 PolarHBondContact O-N 2.85Å; I252-G256 VanDerWaalsContact O-N 3.14Å; I252-F258 HydrophobicContact CB-CD2 4.32Å; I252-F258 HydrophobicContact CB-CE2 4.14Å; I252-F258 HydrophobicContact CD1-CD2 3.62Å; I252-F258 HydrophobicContact CD1-CE2 3.7Å; I252-F258 HydrophobicContact CD1-CG 4.47Å; I252-F258 HydrophobicContact CG1-CD2 3.73Å; I252-F258 HydrophobicContact CG1-CE2 3.95Å; I252-I537 HydrophobicContact CD1-CD1 4.31Å; I252-V540 HydrophobicContact CD1-CG1 4.43Å; I252-V544 HydrophobicContact CD1-CG1 4.43Å; I252-L554 HydrophobicContact CG2-CD1 4.05Å; I252-L554 HydrophobicContact CG2-CD2 4.36Å; I252-L554 HydrophobicContact CG2-CG 3.99Å; I252-L556 HydrophobicContact CD1-CD2 4.27Å; I252-L556 HydrophobicContact CG1-CD2 3.58Å
253S88.3Confident90Very high8 Ų819.2 Ų19.26%0.05611%0.109CC..THydrogen-bonded Turntrans-58.3121.1-178.561.60000110.8D101 H255 V555 R597D101-S253 PolarHBondContact OD2-OG 3.18Å; D101-S253 VanDerWaalsContact OD2-OG 3.06Å; S253-H255 VanDerWaalsContact C-N 3.33Å; S253-H255 PolarHBondContact O-N 3.5Å; S253-V555 PolarHBondContact N-O 3.39Å; S253-V555 VanDerWaalsContact N-O 3.14Å; S253-R597 PolarHBondContact O-NH2 3.13Å
254G83.5Confident90.1Very high22 Ų2219.3 Ų19.323%0.22711%0.108CC..THydrogen-bonded Turntrans83.5-5.4178.700000116.2I252I252-G254 PolarHBondContact O-N 2.98Å; I252-G254 VanDerWaalsContact O-N 3.1Å
255H84.4Confident90.1Very high51 Ų5119.7 Ų19.724%0.23611%0.112CC..THydrogen-bonded Turntrans-119.8-16.7179.3-66.3-75.3000113.8I252 S253 F258 V544 S547I252-H255 HydrophobicContact CB-CB 4.07Å; I252-H255 HydrophobicContact CG2-CB 3.95Å; I252-H255 PolarHBondContact O-N 2.93Å; I252-H255 VanDerWaalsContact O-N 3.07Å; S253-H255 VanDerWaalsContact C-N 3.33Å; S253-H255 PolarHBondContact O-N 3.5Å; H255-F258 HydrophobicContact CB-CE2 4.22Å; H255-F258 HydrophobicContact CB-CZ 4.48Å; H255-F258 WeakPolarHBondContact O-CZ 3.26Å; H255-V544 HydrophobicContact CB-CG2 3.93Å; H255-S547 PolarHBondContact NE2-OG 3.41Å
256G88.4Confident90Very high14 Ų1419.2 Ų19.214%0.14411%0.112CC..EExtended strand (participates in β ladder)trans111.9-160.717200000114.2H251 I252 F258H251-G256 WeakPolarHBondContact CA-O 3.19Å; H251-G256 PolarHBondContact ND1-O 3.35Å; H251-G256 VanDerWaalsContact ND1-O 3.13Å; I252-G256 PolarHBondContact N-O 3.48Å; I252-G256 PolarHBondContact O-N 2.85Å; I252-G256 VanDerWaalsContact O-N 3.14Å; G256-F258 WeakPolarHBondContact O-CE2 3.29Å
257D92Very high89.7Confident25 Ų2523.2 Ų23.213%0.13414%0.138CC..EExtended strand (participates in β ladder)trans-102.6135.5-173.9-61.7-7.2000110.1H251 L314 L559 R596H251-D257 IonicContact CE1-OD1 3.98Å; H251-D257 IonicContact CG-OD1 3.21Å; H251-D257 IonicContact ND1-OD1 3.67Å; H251-D257 PolarHBondContact ND1-OD1 3Å; D257-L314 HydrophobicContact CB-CD1 4.15Å; D257-L559 HydrophobicContact CB-CD1 4.19Å; D257-L559 WeakPolarHBondContact OD2-CD1 3.47Å; D257-R596 IonicContact OD1-CZ 2.74Å; D257-R596 IonicContact OD1-NH1 2.74Å; D257-R596 PolarHBondContact OD1-NH1 2.99Å; D257-R596 IonicContact OD1-NH2 3.81Å; D257-R596 IonicContact OD2-CZ 2.63Å; D257-R596 IonicContact OD2-NH1 3.39Å; D257-R596 PolarHBondContact OD2-NH1 2.93Å; D257-R596 IonicContact OD2-NH2 2.78Å; D257-R596 PolarHBondContact OD2-NH2 3.42Å
258F92.3Very high89.4Confident19 Ų1923.8 Ų23.88%0.08314%0.141CC..EExtended strand (participates in β ladder)trans-138.7162.3-177.7-57.7-86000111.1V250 I252 H255 G256 I537 V540V250-F258 PolarHBondContact N-O 3.11Å; V250-F258 PolarHBondContact O-N 2.87Å; I252-F258 HydrophobicContact CB-CD2 4.32Å; I252-F258 HydrophobicContact CB-CE2 4.14Å; I252-F258 HydrophobicContact CD1-CD2 3.62Å; I252-F258 HydrophobicContact CD1-CE2 3.7Å; I252-F258 HydrophobicContact CD1-CG 4.47Å; I252-F258 HydrophobicContact CG1-CD2 3.73Å; I252-F258 HydrophobicContact CG1-CE2 3.95Å; H255-F258 HydrophobicContact CB-CE2 4.22Å; H255-F258 HydrophobicContact CB-CZ 4.48Å; H255-F258 WeakPolarHBondContact O-CZ 3.26Å; G256-F258 WeakPolarHBondContact O-CE2 3.29Å; F258-I537 HydrophobicContact CB-CG2 3.4Å; F258-I537 HydrophobicContact CG-CG2 4.12Å; F258-V540 HydrophobicContact CD1-CG2 4.02Å; F258-V540 HydrophobicContact CE1-CG2 4.38Å; F258-V540 HydrophobicContact CG-CG2 4.29Å
259Q92.3Very high88.8Confident35 Ų3524 Ų2416%0.16415%0.147CC..  trans-98.8146.2178.2-53.3-171.6-42.900111.5L249 R311 E312 L314 I538L249-Q259 HydrophobicContact CD2-CB 4.27Å; L249-Q259 HydrophobicContact CD2-CG 3.57Å; Q259-R311 VanDerWaalsContact OE1-NH1 3.07Å; Q259-E312 PolarHBondContact NE2-O 3.02Å; Q259-L314 HydrophobicContact CG-CB 4.35Å; Q259-L314 HydrophobicContact CG-CD1 4.28Å; Q259-I538 HydrophobicContact CB-CD1 4.08Å; Q259-I538 HydrophobicContact CB-CG1 3.95Å; Q259-I538 WeakPolarHBondContact O-CG1 3.42Å; Q259-I538 PolarHBondContact O-N 3.39Å; Q259-I538 VanDerWaalsContact O-N 3.07Å
260L91.1Very high87.9Confident1 Ų124.2 Ų24.21%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-91.8137.7173.6-75172.3000111.3A246 V250 I263 A306 R311 L535 I537A246-L260 WeakPolarHBondContact O-CB 3.39Å; V250-L260 HydrophobicContact CB-CG 4.35Å; V250-L260 HydrophobicContact CG2-CD1 3.35Å; V250-L260 HydrophobicContact CG2-CD2 3.99Å; V250-L260 HydrophobicContact CG2-CG 3.5Å; V250-L260 VanDerWaalsContact CG2-CG 3.5Å; L260-I263 HydrophobicContact CD1-CD1 4.41Å; L260-A306 WeakPolarHBondContact O-CB 3.37Å; L260-R311 VanDerWaalsContact O-CZ 3.3Å; L260-R311 PolarHBondContact O-NE 3.47Å; L260-R311 PolarHBondContact O-NH2 3.48Å; L260-L535 HydrophobicContact CD2-CB 3.89Å; L260-L535 HydrophobicContact CD2-CD1 4.44Å; L260-L535 HydrophobicContact CD2-CD2 4.47Å; L260-L535 HydrophobicContact CD2-CG 4.49Å; L260-I537 HydrophobicContact CD2-CG1 3.75Å
261S90.2Very high87.1Confident51 Ų5126.6 Ų26.636%0.35716%0.163SC..EExtended strand (participates in β ladder)trans-95.7-47.2172.81730000111.8A306 H536S261-A306 WeakPolarHBondContact O-CB 3.26Å; S261-A306 PolarHBondContact O-N 3.41Å; S261-H536 PolarHBondContact N-O 2.89Å
262Q90.2Very high86.1Confident37 Ų3727.2 Ų27.217%0.17317%0.167CC..EExtended strand (participates in β ladder)trans-151.4147.6-172-178.3171.8-31.100111.1D264 V302 K305 H536Q262-D264 WeakPolarHBondContact CG-OD1 3.39Å; Q262-D264 PolarHBondContact NE2-OD1 3.37Å; Q262-D264 PolarHBondContact NE2-OD2 2.79Å; Q262-V302 HydrophobicContact CG-CG1 4Å; Q262-V302 VanDerWaalsContact NE2-CG2 3.27Å; Q262-K305 HydrophobicContact CB-CG 4.49Å; Q262-K305 HydrophobicContact CG-CG 4.03Å; Q262-H536 HydrophobicContact CB-CB 4.29Å; Q262-H536 PolarHBondContact O-N 3.29Å
263I91.7Very high84.8Confident1 Ų132 Ų321%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-120.6121.8172.9-55.7-179.1000108.3L244 A246 L260 L303 M304 A527 V533 L535L244-I263 HydrophobicContact CD2-CD1 4Å; L244-I263 HydrophobicContact CG-CD1 3.97Å; A246-I263 HydrophobicContact CB-CD1 3.99Å; A246-I263 HydrophobicContact CB-CG1 4.11Å; L260-I263 HydrophobicContact CD1-CD1 4.41Å; I263-L303 HydrophobicContact CG2-CD1 4.23Å; I263-L303 WeakPolarHBondContact O-CB 3.42Å; I263-L303 PolarHBondContact O-N 3.15Å; I263-M304 PolarHBondContact N-O 3.02Å; I263-M304 PolarHBondContact O-N 2.97Å; I263-M304 VanDerWaalsContact O-N 3.16Å; I263-A527 HydrophobicContact CG2-CB 4.41Å; I263-V533 HydrophobicContact CG2-CB 4.11Å; I263-V533 HydrophobicContact CG2-CG1 4.26Å; I263-L535 HydrophobicContact CB-CD2 4.26Å; I263-L535 HydrophobicContact CD1-CD2 4.14Å; I263-L535 HydrophobicContact CG1-CD2 3.74Å; I263-L535 HydrophobicContact CG2-CD2 3.9Å
264D91.7Very high83.3Confident13 Ų1337.4 Ų37.47%0.0722%0.22CC..EExtended strand (participates in β ladder)trans-111.6152.9177.2-64.2-26000111.1Q262 P266 V300 V302 V533 T534 H536Q262-D264 WeakPolarHBondContact CG-OD1 3.39Å; Q262-D264 PolarHBondContact NE2-OD1 3.37Å; Q262-D264 PolarHBondContact NE2-OD2 2.79Å; D264-P266 WeakPolarHBondContact O-CD 3.26Å; D264-V300 HydrophobicContact CB-CG1 3.68Å; D264-V302 WeakPolarHBondContact OD1-CA 3.31Å; D264-V533 CarbonylContact O-C 3.44Å; D264-V533 WeakPolarHBondContact O-CA 3.37Å; D264-V533 WeakPolarHBondContact O-CB 3.44Å; D264-T534 PolarHBondContact N-O 2.9Å; D264-T534 PolarHBondContact O-N 2.83Å; D264-H536 IonicContact OD2-CD2 3.56Å; D264-H536 IonicContact OD2-CE1 3.71Å; D264-H536 IonicContact OD2-NE2 2.71Å; D264-H536 PolarHBondContact OD2-NE2 2.79Å
265A88.5Confident81.2Confident15 Ų1541.8 Ų41.812%0.12424%0.242CC..EExtended strand (participates in β ladder)trans-112.689.4170.800000110.1R301 L303A265-R301 PolarHBondContact N-O 2.79Å; A265-R301 PolarHBondContact O-N 3.26Å; A265-L303 HydrophobicContact CB-CD1 3.74Å; A265-L303 HydrophobicContact CB-CD2 3.75Å; A265-L303 HydrophobicContact CB-CG 3.59Å
266P86.9Confident78.7Confident22 Ų2244.9 Ų44.914%0.14327%0.265CS..PPolyproline II helixtrans-68.5164.4166.731-36.6000111.7D264 Y532 T534D264-P266 WeakPolarHBondContact O-CD 3.26Å; P266-Y532 HydrophobicContact CB-CD1 4.44Å; P266-Y532 HydrophobicContact CB-CE1 4.47Å; P266-Y532 HydrophobicContact CG-CD1 3.62Å; P266-Y532 HydrophobicContact CG-CE1 3.7Å; P266-T534 WeakPolarHBondContact CG-OG1 3.4Å
267P81.8Confident76.2Confident89 Ų8951 Ų5158%0.57830%0.299SS*.PPolyproline II helixtrans-61.9141.3173.626.2-34000111.8
268D83.1Confident73.2Confident53 Ų5360.7 Ų60.728%0.28333%0.334SS..PPolyproline II helixtrans-63.9125.7-179.8-177.3-5.9000110.9R85 Y238 L270R85-D268 IonicContact CZ-OD2 2.69Å; R85-D268 IonicContact NH1-OD2 3.74Å; R85-D268 PolarHBondContact NH1-OD2 2.94Å; Y238-D268 PolarHBondContact OH-OD1 3.44Å; D268-L270 VanDerWaalsContact C-N 3.32Å; D268-L270 PolarHBondContact OD1-N 3.46Å
269P77.6Confident70.3Confident38 Ų3863.9 Ų63.925%0.24736%0.364CS..SBendtrans-72.5-21.3177.629.2-35.7000113.8L64 P271 Y532L64-P269 HydrophobicContact CD2-CB 4.34Å; P269-P271 VanDerWaalsContact C-CD 3.46Å; P269-Y532 HydrophobicContact CG-CD2 4.33Å; P269-Y532 HydrophobicContact CG-CE1 4.19Å; P269-Y532 HydrophobicContact CG-CE2 3.92Å
270L73.6Confident67.4Low5 Ų568.6 Ų68.63%0.02640%0.396CS..SBendtrans-128.163.4-176-66.8168.9000112.4L64 I78 R85 D268L64-L270 HydrophobicContact CB-CD2 3.92Å; L64-L270 HydrophobicContact CD2-CD2 4.41Å; L64-L270 HydrophobicContact CD2-CG 4.43Å; I78-L270 HydrophobicContact CD1-CB 4.43Å; I78-L270 HydrophobicContact CD1-CD2 4.25Å; R85-L270 WeakPolarHBondContact CD-O 3.02Å; R85-L270 PolarHBondContact NH1-O 3.47Å; D268-L270 VanDerWaalsContact C-N 3.32Å; D268-L270 PolarHBondContact OD1-N 3.46Å
271P76.9Confident64.5Low51 Ų5178.1 Ų78.133%0.33144%0.437SS..  trans-72.5137.4176.430.6-33.8000111.4I78 P269 N273I78-P271 WeakPolarHBondContact CD1-O 3.36Å; P269-P271 VanDerWaalsContact C-CD 3.46Å; P271-N273 VanDerWaalsContact C-N 3.28Å; P271-N273 PolarHBondContact O-N 2.79Å
272L70.8Confident61.8Low22 Ų2281.8 Ų81.812%0.11546%0.459CS..SBendtrans-63.3-31.5-178.1-17769.4000113.2R28 I78 K83 R85R28-L272 HydrophobicContact CB-CD2 4.31Å; I78-L272 HydrophobicContact CG2-CD1 4.05Å; K83-L272 HydrophobicContact CB-CD2 4.39Å; R85-L272 HydrophobicContact CG-CB 4.18Å; R85-L272 HydrophobicContact CG-CD1 3.81Å
273N66.1Low59Low99 Ų9983.7 Ų83.753%0.52949%0.489SS..  trans-113111.8175.2-64.7-33.6000108.8P271 T275P271-N273 VanDerWaalsContact C-N 3.28Å; P271-N273 PolarHBondContact O-N 2.79Å; N273-T275 PolarHBondContact O-N 3.18Å; N273-T275 VanDerWaalsContact O-N 3.08Å
274L56.4Low56.2Low123 Ų12396 Ų9664%0.64454%0.535SS*.  trans-70.711.5171.5-77.3165000113.7V62 T276V62-L274 HydrophobicContact CG2-CD1 3.58Å; V62-L274 HydrophobicContact CG2-CG 4.48Å; L274-T276 PolarHBondContact O-N 3.16Å
275T38.4Very low53.2Low114 Ų11498.9 Ų98.970%0.69957%0.568SS**  trans-59.4104.6174.5270000108.3N273 V277N273-T275 PolarHBondContact O-N 3.18Å; N273-T275 VanDerWaalsContact O-N 3.08Å; T275-V277 PolarHBondContact O-N 3.08Å
276T33.3Very low50.4Low116 Ų116109.6 Ų109.671%0.71261%0.605SS**  trans-13.8120.7150.6340000109.7L274 R278L274-T276 PolarHBondContact O-N 3.16Å; T276-R278 PolarHBondContact O-N 3.08Å
277V35.3Very low47.6Very low143 Ų143115.5 Ų115.587%0.86764%0.635SS**  trans-46.698.1164.3176.80000105.8T275 A279T275-V277 PolarHBondContact O-N 3.08Å; V277-A279 VanDerWaalsContact C-N 3.32Å; V277-A279 PolarHBondContact O-N 3.29Å
278R29.3Very low45.3Very low227 Ų227117.2 Ų117.286%0.85764%0.644SS**  trans-64.4107.4170.7-90.6-176.5172.5174-1.7103.2T276 T280T276-R278 PolarHBondContact O-N 3.08Å; R278-T280 PolarHBondContact O-N 2.86Å
279A31.1Very low42.7Very low87 Ų87123.5 Ų123.572%0.71967%0.672SS**  trans-35.9114.3166.500000107.8V277 K281V277-A279 VanDerWaalsContact C-N 3.32Å; V277-A279 PolarHBondContact O-N 3.29Å; A279-K281 PolarHBondContact O-N 3.03Å
280T31.6Very low40.5Very low134 Ų134130 Ų13082%0.82270%0.701SS**PPolyproline II helixtrans-50.5116.7168.832.90000106.9R278R278-T280 PolarHBondContact O-N 2.86Å
281K30.4Very low38.4Very low200 Ų200139.3 Ų139.387%0.8774%0.744SS**PPolyproline II helixtrans-48.6128.7175-77.7-177.7173.7-178.10108.6A279 G283A279-K281 PolarHBondContact O-N 3.03Å; K281-G283 PolarHBondContact O-N 2.67Å; K281-G283 VanDerWaalsContact O-N 3.14Å
282P33Very low36Very low128 Ų128144.1 Ų144.183%0.83177%0.767SS**PPolyproline II helixtrans-69.2116.8176.927.8-29.8000107.8R284P282-R284 PolarHBondContact O-N 2.54Å
283G32Very low33.9Very low77 Ų77146.7 Ų146.779%0.79480%0.799SS**PPolyproline II helixtrans-63.3121.6164.500000108.8K281 G285K281-G283 PolarHBondContact O-N 2.67Å; K281-G283 VanDerWaalsContact O-N 3.14Å; G283-G285 PolarHBondContact O-N 3.47Å
284R31.7Very low32Very low260 Ų260149.4 Ų149.498%0.98181%0.814SS**SBendtrans-39.1120175.5-138.7176.3-171.6-168.81.2112.8P282P282-R284 PolarHBondContact O-N 2.54Å
285G29.4Very low31.1Very low73 Ų73152.5 Ų152.575%0.75383%0.825SS**  trans153.390.7159.200000117.5G283G283-G285 PolarHBondContact O-N 3.47Å
286R29Very low30.9Very low240 Ų240152.1 Ų152.191%0.90683%0.827SS**  trans94.8105.8146.4-148.1168.5-173.4171.4-0.6119.5
287D28.3Very low31.1Very low146 Ų146155.2 Ų155.278%0.78183%0.833SS**  trans-6.7132.8155.7-46.9-38.7000119.8
288V33.5Very low31.4Very low125 Ų125151.7 Ų151.776%0.75882%0.819SS**  174.4123.1101.5163.80000111
289E28.3Very low32.6Very low186 Ų186146.7 Ų146.787%0.86982%0.816SS**  trans55142.9148.1-65.9176.4173.900124.9
290M32.4Very low34.3Very low173 Ų173146.2 Ų146.285%0.85280%0.804SS**  trans-88.5145.9-168.1-56.7-150.8-72.400113.6
291Q28.6Very low36.5Very low201 Ų201147.2 Ų147.294%0.93979%0.792SS**  trans-145.1116145.9-158.2160.755.200109.1
292D26.8Very low38.8Very low152 Ų152141 Ų14181%0.81377%0.771SS**  trans-72.5147.1178.4-83.3-39.2000112.3
293G27.6Very low40.9Very low76 Ų76137.1 Ų137.178%0.78474%0.743SS**  trans11977.1147.300000117.4
294D26.4Very low43.1Very low157 Ų157136.7 Ų136.784%0.8472%0.721SS**  -165117.7125.4-145.57.5000110.3
295E36.8Very low45.7Very low188 Ų188130.6 Ų130.688%0.87970%0.702SS**  trans-87.498.2164.7-80.4-173.2151.100107.7
296S33.4Very low48.3Very low105 Ų105128 Ų12873%0.73467%0.673SS**  trans178.6140.9148.1-84.10000113.5
297E37.3Very low50.8Low182 Ų182120.8 Ų120.885%0.8565%0.652SS**  trans69.5108.4170.5-56.2-166.2163.800117.7
298A42.9Very low53.2Low68 Ų68119.7 Ų119.756%0.56265%0.653SS**PPolyproline II helixtrans-55.5136166.300000110.3V300A298-V300 PolarHBondContact O-N 2.96Å
299P54.8Low55.5Low123 Ų123119.5 Ų119.580%0.79966%0.657SS**PPolyproline II helixtrans-59.9123.6-174.423.1-33.4000110.8R301P299-R301 PolarHBondContact O-N 2.89Å
300V66.6Low58.1Low76 Ų76113.6 Ų113.646%0.46164%0.636SS.*PPolyproline II helixtrans-61.2116.9176.1177.10000109D264 A298 V302D264-V300 HydrophobicContact CB-CG1 3.68Å; A298-V300 PolarHBondContact O-N 2.96Å; V300-V302 PolarHBondContact O-N 3.49Å
301R76.5Confident60.5Low156 Ų156108.4 Ų108.459%0.58961%0.607SS**EExtended strand (participates in β ladder)trans-83.2114.7-176.9-174.6176.868.5-174.42.5110.1A265 P299 L303A265-R301 PolarHBondContact N-O 2.79Å; A265-R301 PolarHBondContact O-N 3.26Å; P299-R301 PolarHBondContact O-N 2.89Å; R301-L303 PolarHBondContact O-N 3.36Å
302V80.1Confident63.1Low69 Ų69100.6 Ų100.642%0.41857%0.571SS.*EExtended strand (participates in β ladder)trans-66121.6171.4-1750000109.2Q262 D264 V300 K305Q262-V302 HydrophobicContact CG-CG1 4Å; Q262-V302 VanDerWaalsContact NE2-CG2 3.27Å; D264-V302 WeakPolarHBondContact OD1-CA 3.31Å; V300-V302 PolarHBondContact O-N 3.49Å; V302-K305 HydrophobicContact CG1-CG 4.14Å
303L75.9Confident65.9Low46 Ų4695.8 Ų95.824%0.24155%0.549CS..EExtended strand (participates in β ladder)trans-85.9-52.7177.3-68.5-179.1000110.8I263 A265 R301 A527 W531 V533I263-L303 HydrophobicContact CG2-CD1 4.23Å; I263-L303 WeakPolarHBondContact O-CB 3.42Å; I263-L303 PolarHBondContact O-N 3.15Å; A265-L303 HydrophobicContact CB-CD1 3.74Å; A265-L303 HydrophobicContact CB-CD2 3.75Å; A265-L303 HydrophobicContact CB-CG 3.59Å; R301-L303 PolarHBondContact O-N 3.36Å; L303-A527 HydrophobicContact CD1-CB 4.02Å; L303-W531 HydrophobicContact CD1-CE3 3.65Å; L303-W531 HydrophobicContact CD1-CZ3 3.77Å; L303-W531 HydrophobicContact CD2-CE3 4.3Å; L303-W531 HydrophobicContact CD2-CZ3 3.72Å; L303-W531 HydrophobicContact CG-CZ3 4.4Å; L303-V533 HydrophobicContact CD1-CG1 4.13Å
304M79.8Confident68.6Low68 Ų6896 Ų9634%0.33553%0.532SS..EExtended strand (participates in β ladder)trans-150.7141.3-172.8-68.4-174.3171.300110.6A246 I263A246-M304 HydrophobicContact CB-CB 4.28Å; I263-M304 PolarHBondContact N-O 3.02Å; I263-M304 PolarHBondContact O-N 2.97Å; I263-M304 VanDerWaalsContact O-N 3.16Å
305K84.9Confident71.3Confident133 Ų13394.4 Ų94.458%0.57852%0.52SS*.EExtended strand (participates in β ladder)trans-108.5148166.3-69.1-176.4176.6-175.50108.4Q262 V302Q262-K305 HydrophobicContact CB-CG 4.49Å; Q262-K305 HydrophobicContact CG-CG 4.03Å; V302-K305 HydrophobicContact CG1-CG 4.14Å
306A83.4Confident73.5Confident17 Ų1787.9 Ų87.914%0.1449%0.492CS..  trans-72.5129.3176.600000109.9A246 N247 L260 S261A246-A306 HydrophobicContact CB-CB 4.16Å; N247-A306 WeakPolarHBondContact OD1-CA 3.42Å; L260-A306 WeakPolarHBondContact O-CB 3.37Å; S261-A306 WeakPolarHBondContact O-CB 3.26Å; S261-A306 PolarHBondContact O-N 3.41Å
307D82.8Confident76Confident90 Ų9087.1 Ų87.148%0.48148%0.477SS..  trans-83.3122.1177.3-69.9-38.8000109.6N247 S309 S310 R311N247-D307 PolarHBondContact OD1-N 3.11Å; D307-S309 PolarHBondContact O-N 2.92Å; D307-S309 VanDerWaalsContact O-N 3.1Å; D307-S310 WeakPolarHBondContact CB-OG 3.44Å; D307-S310 PolarHBondContact O-N 2.82Å; D307-R311 WeakPolarHBondContact O-CB 3.32Å; D307-R311 PolarHBondContact O-N 3.36Å
308P77.8Confident78.2Confident123 Ų12379.5 Ų79.580%0.79945%0.445SS*.THydrogen-bonded Turntrans-58.8-28.7-173.5-26.133.8000114.9
309S83.2Confident79.8Confident120 Ų12081.1 Ų81.184%0.83946%0.458SS*.THydrogen-bonded Turntrans-81.9-32.8-176.5530000114.4D307D307-S309 PolarHBondContact O-N 2.92Å; D307-S309 VanDerWaalsContact O-N 3.1Å
310S82Confident80.8Confident62 Ų6277.8 Ų77.843%0.43444%0.436SS..THydrogen-bonded Turntrans-101.5-2.5-179.754.90000113.3N247 D307N247-S310 PolarHBondContact ND2-OG 3.01Å; D307-S310 WeakPolarHBondContact CB-OG 3.44Å; D307-S310 PolarHBondContact O-N 2.82Å
311R83.6Confident80.9Confident64 Ų6478.5 Ų78.524%0.24244%0.437CS..SBendtrans-63.9133.1176.6-166.1179.2-160.3-157.52.3110.4Q259 L260 D307 S313Q259-R311 VanDerWaalsContact OE1-NH1 3.07Å; L260-R311 VanDerWaalsContact O-CZ 3.3Å; L260-R311 PolarHBondContact O-NE 3.47Å; L260-R311 PolarHBondContact O-NH2 3.48Å; D307-R311 WeakPolarHBondContact O-CB 3.32Å; D307-R311 PolarHBondContact O-N 3.36Å; R311-S313 PolarHBondContact O-N 3.01Å
312E82.1Confident80.4Confident37 Ų3776.1 Ų76.117%0.17344%0.442CS..PPolyproline II helixtrans-67133.9175.5-70.7-174.9-163.100111.2N247 L249 Q259N247-E312 PolarHBondContact O-N 2.96Å; N247-E312 VanDerWaalsContact O-N 3.13Å; L249-E312 HydrophobicContact CD1-CB 4.43Å; L249-E312 HydrophobicContact CG-CB 4.05Å; Q259-E312 PolarHBondContact NE2-O 3.02Å
313S85.3Confident79.6Confident51 Ų5179.8 Ų79.836%0.35746%0.456SS..PPolyproline II helixtrans-72.1146175.964.90000111.1R311 Q315 Q564R311-S313 PolarHBondContact O-N 3.01Å; S313-Q315 PolarHBondContact O-N 3.2Å; S313-Q315 VanDerWaalsContact O-N 3.14Å; S313-Q564 PolarHBondContact O-NE2 3.3Å
314L84.8Confident78.8Confident80 Ų8084 Ų8442%0.41948%0.479SS..  trans-7921.9173.4-15971.8000112.4L249 D257 Q259 V316L249-L314 HydrophobicContact CD1-CD1 4.45Å; L249-L314 HydrophobicContact CD2-CD1 3.99Å; D257-L314 HydrophobicContact CB-CD1 4.15Å; Q259-L314 HydrophobicContact CG-CB 4.35Å; Q259-L314 HydrophobicContact CG-CD1 4.28Å; L314-V316 PolarHBondContact O-N 2.68Å; L314-V316 VanDerWaalsContact O-N 3.15Å
315Q82.8Confident77.4Confident125 Ų12583.2 Ų83.258%0.58449%0.488SS*.  trans-74.6107.8-179.5-72172.1-10.500109.9S313S313-Q315 PolarHBondContact O-N 3.2Å; S313-Q315 VanDerWaalsContact O-N 3.14Å
316V84Confident75.8Confident50 Ų5082.5 Ų82.530%0.30349%0.487SS..  trans-82.9-41.1-179.9176.70000111L314 M566L314-V316 PolarHBondContact O-N 2.68Å; L314-V316 VanDerWaalsContact O-N 3.15Å; V316-M566 HydrophobicContact CG1-CG 3.41Å; V316-M566 VanDerWaalsContact CG1-CG 3.41Å; V316-M566 HydrophobicContact CG1-SD 4.23Å; V316-M566 PolarHBondContact O-N 2.81Å
317E84.9Confident74.1Confident90 Ų9089 Ų8942%0.42151%0.514SS..SBendtrans-105.7149.8-178.1-61.3-178-168.100111.5W752E317-W752 HydrophobicContact CG-CH2 4.27Å; E317-W752 HydrophobicContact CG-CZ2 4.05Å; E317-W752 VanDerWaalsContact OE1-CZ2 3.31Å; E317-W752 WeakPolarHBondContact OE1-CZ2 3.16Å
318A83.4Confident72.4Confident21 Ų2190.5 Ų90.517%0.17453%0.527CS..  trans-76.3146.1171.100000110V320 R502 F504A318-V320 PolarHBondContact O-N 3Å; A318-R502 WeakPolarHBondContact CB-O 3.43Å; A318-R502 PolarHBondContact N-O 3.38Å; A318-F504 HydrophobicContact CB-CD1 4.44Å; A318-F504 HydrophobicContact CB-CD2 4.33Å; A318-F504 HydrophobicContact CB-CE1 4.05Å; A318-F504 HydrophobicContact CB-CE2 3.94Å; A318-F504 HydrophobicContact CB-CZ 3.79Å
319A77.6Confident71Confident102 Ų10294.3 Ų94.384%0.84353%0.526SS*.  trans-62.6120.7171.700000108.9D321A319-D321 PolarHBondContact O-N 3.3Å
320V75.1Confident69.2Low54 Ų5492 Ų9233%0.32751%0.507SS..  trans-77.4115.7174.9179.10000107.5A318 P322 L498 S501 R502A318-V320 PolarHBondContact O-N 3Å; V320-P322 VanDerWaalsContact O-CD 3.31Å; V320-P322 WeakPolarHBondContact O-CD 3.24Å; V320-L498 HydrophobicContact CG1-CD1 4.32Å; V320-S501 WeakPolarHBondContact CG1-OG 3.31Å; V320-R502 HydrophobicContact CG2-CB 4.36Å; V320-R502 HydrophobicContact CG2-CG 3.31Å
321D69.3Low68Low91 Ų9193.2 Ų93.249%0.48751%0.512SS..  trans-77.2115.3164.1-170.9-15.8000108A319 M323 D324A319-D321 PolarHBondContact O-N 3.3Å; D321-M323 PolarHBondContact O-N 3.36Å; D321-M323 PolarHBondContact OD1-N 2.98Å; D321-D324 HydrophobicContact CB-CB 3.9Å; D321-D324 PolarHBondContact O-N 3.35Å
322P65.4Low66.7Low105 Ų10598 Ų9868%0.68254%0.538SS*.THydrogen-bonded Turntrans-58.2-27.3179.1-21.133000112.8V320V320-P322 VanDerWaalsContact O-CD 3.31Å; V320-P322 WeakPolarHBondContact O-CD 3.24Å
323M63.9Low65.7Low147 Ų147103.2 Ų103.272%0.72456%0.562SS**THydrogen-bonded Turntrans-84.1-15.9-176.5-154.8158.476.800113.1D321D321-M323 PolarHBondContact O-N 3.36Å; D321-M323 PolarHBondContact OD1-N 2.98Å
324D57.8Low64.8Low134 Ų134106.4 Ų106.472%0.71757%0.571SS**THydrogen-bonded Turntrans-85.5-13-180-158.337.9000112.6D321D321-D324 HydrophobicContact CB-CB 3.9Å; D321-D324 PolarHBondContact O-N 3.35Å
325G51.7Low64Low51 Ų51106.7 Ų106.753%0.52657%0.573SS.*SBendtrans-91.2-10173.500000114.3Q327G325-Q327 PolarHBondContact O-N 2.96Å
326E50.8Low63.2Low118 Ų118104.7 Ų104.755%0.55157%0.565SS**SBendtrans-81.995.6173.7-67.6-173.2-175.600108.2T328E326-T328 PolarHBondContact O-N 3.33Å
327Q48Very low62.5Low154 Ų154107.2 Ų107.272%0.7258%0.577SS**  trans-49.7110.1159.3-170.6169.41000107G325 W329G325-Q327 PolarHBondContact O-N 2.96Å; Q327-W329 PolarHBondContact O-N 3.44Å
328T46.4Very low61.4Low122 Ų122105.3 Ų105.375%0.74858%0.577SS**  trans-3.1113.1167.815.40000112.7E326E326-T328 PolarHBondContact O-N 3.33Å
329W49.6Very low60.4Low203 Ų203108.8 Ų108.877%0.76959%0.59SS**  trans-39.9128.3160.9-75.180.1000107.9Q327 T331Q327-W329 PolarHBondContact O-N 3.44Å; W329-T331 PolarHBondContact O-N 3.17Å; W329-T331 VanDerWaalsContact O-N 3.15Å
330P45.5Very low59.6Low70 Ų70109.3 Ų109.346%0.45558%0.575SS.*  trans-46.1128.7176.6-28.234.3000108.6E332 E334P330-E332 PolarHBondContact O-N 3.26Å; P330-E334 HydrophobicContact CB-CB 4.27Å
331T56.6Low59Low88 Ų88109.8 Ų109.854%0.5459%0.585SS.*  trans-51.5145.2177.8-4.30000108.6W329 Q333 E334 L335W329-T331 PolarHBondContact O-N 3.17Å; W329-T331 VanDerWaalsContact O-N 3.15Å; T331-Q333 CarbonylContact O-C 3.55Å; T331-Q333 PolarHBondContact O-N 3.04Å; T331-E334 PolarHBondContact O-N 2.84Å; T331-L335 PolarHBondContact O-N 3.09Å
332E56.8Low58.4Low165 Ų165115.1 Ų115.177%0.77160%0.598SS**Hα-helixtrans-49.9-28.8-178-155.4170.7-160.100112.3P330 L336P330-E332 PolarHBondContact O-N 3.26Å; E332-L336 WeakPolarHBondContact O-CB 3.48Å; E332-L336 WeakPolarHBondContact O-CD1 3.39Å; E332-L336 VanDerWaalsContact O-CG 3.26Å; E332-L336 WeakPolarHBondContact O-CG 3.45Å; E332-L336 PolarHBondContact O-N 3.02Å
333Q60.5Low57.9Low146 Ų146117.1 Ų117.168%0.68260%0.596SS**Hα-helixtrans-66-41.7172-72.4176-29.400115.1T331 L335 L336 D337T331-Q333 CarbonylContact O-C 3.55Å; T331-Q333 PolarHBondContact O-N 3.04Å; Q333-L335 VanDerWaalsContact C-N 3.32Å; Q333-L336 PolarHBondContact O-N 2.9Å; Q333-D337 PolarHBondContact O-N 3.26Å
334E66.3Low57.2Low119 Ų119117 Ų11756%0.55660%0.598SS**Hα-helixtrans-73.8-28177.5-67.4-173.3162.500111.8P330 T331 A338P330-E334 HydrophobicContact CB-CB 4.27Å; T331-E334 PolarHBondContact O-N 2.84Å; E334-A338 VanDerWaalsContact O-CB 3.26Å; E334-A338 WeakPolarHBondContact O-CB 3.4Å; E334-A338 PolarHBondContact O-N 3.35Å
335L68Low56.8Low85 Ų85118.7 Ų118.745%0.44560%0.599SS.*Hα-helixtrans-69.8-41.8170.8-101.6163.7000111.4T331 Q333 A338 E339T331-L335 PolarHBondContact O-N 3.09Å; Q333-L335 VanDerWaalsContact C-N 3.32Å; L335-A338 PolarHBondContact O-N 2.96Å; L335-E339 VanDerWaalsContact O-CB 3.32Å; L335-E339 WeakPolarHBondContact O-CB 3.18Å; L335-E339 WeakPolarHBondContact O-CG 3.4Å; L335-E339 PolarHBondContact O-N 2.82Å
336L66.4Low56.7Low83 Ų83125.9 Ų125.944%0.43561%0.61SS.*Hα-helixtrans-62.7-45.6172.9-78.5160.2000111.5E332 Q333 A338 E339 E340E332-L336 WeakPolarHBondContact O-CB 3.48Å; E332-L336 WeakPolarHBondContact O-CD1 3.39Å; E332-L336 VanDerWaalsContact O-CG 3.26Å; E332-L336 WeakPolarHBondContact O-CG 3.45Å; E332-L336 PolarHBondContact O-N 3.02Å; Q333-L336 PolarHBondContact O-N 2.9Å; L336-A338 VanDerWaalsContact C-N 3.32Å; L336-A338 PolarHBondContact O-N 3.49Å; L336-E339 CarbonylContact O-C 3.57Å; L336-E339 PolarHBondContact O-N 2.96Å; L336-E340 WeakPolarHBondContact O-CB 3.43Å; L336-E340 WeakPolarHBondContact O-CG 3.48Å; L336-E340 PolarHBondContact O-N 3.12Å
337D69.3Low56.7Low103 Ų103127 Ų12755%0.55163%0.625SS**Hα-helixtrans-62.8-37.8176.2-74-5.6000112Q333 A341Q333-D337 PolarHBondContact O-N 3.26Å; D337-A341 VanDerWaalsContact O-CB 3.26Å; D337-A341 WeakPolarHBondContact O-CB 3.16Å; D337-A341 PolarHBondContact O-N 2.8Å
338A61.7Low57.2Low50 Ų50122.8 Ų122.841%0.41361%0.606SS.*Hα-helixtrans-72.9-33.3175.400000112.8E334 L335 L336 R342E334-A338 VanDerWaalsContact O-CB 3.26Å; E334-A338 WeakPolarHBondContact O-CB 3.4Å; E334-A338 PolarHBondContact O-N 3.35Å; L335-A338 PolarHBondContact O-N 2.96Å; L336-A338 VanDerWaalsContact C-N 3.32Å; L336-A338 PolarHBondContact O-N 3.49Å; A338-R342 WeakPolarHBondContact O-CB 3.42Å; A338-R342 VanDerWaalsContact O-CG 3.31Å; A338-R342 WeakPolarHBondContact O-CG 3.5Å; A338-R342 PolarHBondContact O-N 3.11Å
339E63Low58.1Low95 Ų95126.8 Ų126.844%0.44461%0.613SS.*Hα-helixtrans-71.1-37.8172.4-81.5-173.8173.400111.9L335 L336 R342 K343L335-E339 VanDerWaalsContact O-CB 3.32Å; L335-E339 WeakPolarHBondContact O-CB 3.18Å; L335-E339 WeakPolarHBondContact O-CG 3.4Å; L335-E339 PolarHBondContact O-N 2.82Å; L336-E339 CarbonylContact O-C 3.57Å; L336-E339 PolarHBondContact O-N 2.96Å; E339-R342 PolarHBondContact O-N 3.3Å; E339-K343 WeakPolarHBondContact O-CB 3.47Å; E339-K343 VanDerWaalsContact O-CG 3.28Å; E339-K343 WeakPolarHBondContact O-CG 3.13Å; E339-K343 PolarHBondContact O-N 2.83Å
340E59.8Low59.1Low112 Ų112119.6 Ų119.652%0.52359%0.591SS.*Hα-helixtrans-67.1-43.6172.8-76.2-179.217900111.1L336 R342 K343 N344L336-E340 WeakPolarHBondContact O-CB 3.43Å; L336-E340 WeakPolarHBondContact O-CG 3.48Å; L336-E340 PolarHBondContact O-N 3.12Å; E340-R342 PolarHBondContact O-N 3.49Å; E340-K343 PolarHBondContact O-N 2.84Å; E340-K343 VanDerWaalsContact O-N 3.14Å; E340-N344 PolarHBondContact O-N 2.91Å
341A63.2Low60.8Low65 Ų65120.2 Ų120.254%0.53760%0.595SS.*Hα-helixtrans-64-28.1172.600000113.2D337D337-A341 VanDerWaalsContact O-CB 3.26Å; D337-A341 WeakPolarHBondContact O-CB 3.16Å; D337-A341 PolarHBondContact O-N 2.8Å
342R56.8Low61.7Low203 Ų203126.5 Ų126.577%0.76662%0.615SS**Hα-helixtrans-78.5-35.6171.7-81.1177.6175.1-1670.5112.5A338 E339 E340 N344 K345A338-R342 WeakPolarHBondContact O-CB 3.42Å; A338-R342 VanDerWaalsContact O-CG 3.31Å; A338-R342 WeakPolarHBondContact O-CG 3.5Å; A338-R342 PolarHBondContact O-N 3.11Å; E339-R342 PolarHBondContact O-N 3.3Å; E340-R342 PolarHBondContact O-N 3.49Å; R342-N344 VanDerWaalsContact C-N 3.33Å; R342-K345 PolarHBondContact O-N 2.86Å
343K54.1Low62.8Low146 Ų146122.5 Ų122.564%0.63562%0.618SS**Hα-helixtrans-68.6-29.8176-79.1170-178.5168.20112.4E339 E340 K345E339-K343 WeakPolarHBondContact O-CB 3.47Å; E339-K343 VanDerWaalsContact O-CG 3.28Å; E339-K343 WeakPolarHBondContact O-CG 3.13Å; E339-K343 PolarHBondContact O-N 2.83Å; E340-K343 PolarHBondContact O-N 2.84Å; E340-K343 VanDerWaalsContact O-N 3.14Å; K343-K345 PolarHBondContact O-N 2.83Å
344N48.8Very low63.9Low145 Ų145117.8 Ų117.878%0.77560%0.599SS**THydrogen-bonded Turntrans-71.5-0.3172.9-81.59.7000114.8E340 R342 R346E340-N344 PolarHBondContact O-N 2.91Å; R342-N344 VanDerWaalsContact C-N 3.33Å; N344-R346 PolarHBondContact O-N 3.04Å
345K50.8Low64.6Low169 Ų169114.9 Ų114.974%0.73559%0.592SS**  trans-93.877165.4-72-175.6177.8-177.10109.9R342 K343 V347R342-K345 PolarHBondContact O-N 2.86Å; K343-K345 PolarHBondContact O-N 2.83Å; K345-V347 PolarHBondContact O-N 2.71Å
346R48.3Very low64.8Low203 Ų203117.8 Ų117.877%0.76661%0.608SS**  trans-62.8121.4162.9-73.4177.7136.7-163.3-2.5108.1N344 M348N344-R346 PolarHBondContact O-N 3.04Å; R346-M348 PolarHBondContact O-N 2.97Å
347V51.1Low65.2Low142 Ų142121.5 Ų121.586%0.86162%0.618SS**  trans-78.3100171.3178.40000107.1K345K345-V347 PolarHBondContact O-N 2.71Å
348M58.3Low65.6Low64 Ų64121.6 Ų121.632%0.31562%0.615SS.*  trans-65.3132.8177.9-161.9-179.2-169.500110.3R346 V350 I362 D364R346-M348 PolarHBondContact O-N 2.97Å; M348-V350 HydrophobicContact CB-CG2 4.38Å; M348-V350 WeakPolarHBondContact O-CG2 3.36Å; M348-V350 PolarHBondContact O-N 3.17Å; M348-I362 HydrophobicContact CE-CB 3.72Å; M348-I362 HydrophobicContact CE-CG2 3.6Å; M348-I362 VanDerWaalsContact CE-O 3.23Å; M348-I362 WeakPolarHBondContact CE-O 3.32Å; M348-D364 WeakPolarHBondContact CE-OD1 3.25Å
349K65.8Low66.5Low207 Ų207120 Ų12090%0.960%0.601SS**  trans-81.385.3176.3-76-179.7-177.61700109.5
350V70.9Confident67Low51 Ų51120.6 Ų120.631%0.30961%0.612SS.*PPolyproline II helixtrans-81.8140.3177-139.60000110.2M348 T354 A359 I362M348-V350 HydrophobicContact CB-CG2 4.38Å; M348-V350 WeakPolarHBondContact O-CG2 3.36Å; M348-V350 PolarHBondContact O-N 3.17Å; V350-T354 WeakPolarHBondContact CB-OG1 3.45Å; V350-T354 HydrophobicContact CG1-CG2 4.06Å; V350-T354 WeakPolarHBondContact CG1-OG1 3.36Å; V350-A359 HydrophobicContact CB-CB 4.49Å; V350-A359 HydrophobicContact CG1-CB 3.64Å; V350-A359 HydrophobicContact CG2-CB 3.98Å; V350-I362 HydrophobicContact CG1-CD1 3.71Å
351P80.7Confident67.7Low84 Ų84123.6 Ų123.655%0.54562%0.619SS.*PPolyproline II helixtrans-53.4146.3174-28.935.6000113G353 T354P351-G353 PolarHBondContact O-N 3.37Å; P351-T354 HydrophobicContact CB-CG2 4.07Å; P351-T354 HydrophobicContact CG-CG2 4.36Å; P351-T354 PolarHBondContact O-N 2.97Å; P351-T354 PolarHBondContact O-OG1 2.69Å
352K74.4Confident68.1Low219 Ų219124 Ų12495%0.95261%0.611SS**THydrogen-bonded Turntrans-61.8116.7-179.3-69.4-177.8-179178.80110.1
353G80.8Confident68.1Low81 Ų81120.6 Ų120.684%0.83561%0.606SS**THydrogen-bonded Turntrans106.6-0.7177.300000115.3P351P351-G353 PolarHBondContact O-N 3.37Å
354T83.1Confident68Low47 Ų47116.9 Ų116.929%0.28859%0.593SS.*  trans-73.7134.4171.250.20000111.1V350 P351V350-T354 WeakPolarHBondContact CB-OG1 3.45Å; V350-T354 HydrophobicContact CG1-CG2 4.06Å; V350-T354 WeakPolarHBondContact CG1-OG1 3.36Å; P351-T354 HydrophobicContact CB-CG2 4.07Å; P351-T354 HydrophobicContact CG-CG2 4.36Å; P351-T354 PolarHBondContact O-N 2.97Å; P351-T354 PolarHBondContact O-OG1 2.69Å
355S81.6Confident68Low58 Ų58118.2 Ų118.241%0.40660%0.595SS.*  trans-72.5156.4171.562.90000111.8Y357 Q358 A359S355-Y357 PolarHBondContact O-N 2.81Å; S355-Y357 VanDerWaalsContact O-N 3.12Å; S355-Q358 VanDerWaalsContact N-OE1 3.08Å; S355-Q358 WeakPolarHBondContact O-CB 3.35Å; S355-Q358 PolarHBondContact O-N 3.38Å; S355-Q358 WeakPolarHBondContact OG-CG 3.45Å; S355-Q358 PolarHBondContact OG-N 2.96Å; S355-Q358 PolarHBondContact OG-OE1 2.9Å; S355-A359 PolarHBondContact O-N 3.02Å
356D72.1Confident67.9Low147 Ų147116.7 Ų116.779%0.78660%0.595SS**Hα-helixtrans-54.6-32.8177.7-65.5-16.1000112.7A359 T360D356-A359 PolarHBondContact O-N 3.02Å; D356-T360 PolarHBondContact O-N 3.32Å
357Y75.3Confident67.8Low160 Ų160114.3 Ų114.363%0.62759%0.593SS**Hα-helixtrans-66.9-46174.6-176.9-101.9000111.7S355 A359 T360 W361S355-Y357 PolarHBondContact O-N 2.81Å; S355-Y357 VanDerWaalsContact O-N 3.12Å; Y357-A359 VanDerWaalsContact C-N 3.27Å; Y357-A359 PolarHBondContact O-N 3.49Å; Y357-T360 PolarHBondContact O-N 3.35Å; Y357-T360 PolarHBondContact O-OG1 3.28Å; Y357-W361 AromaticContact CE1-NE1 3.66Å; Y357-W361 AromaticContact CE2-NE1 3.75Å; Y357-W361 AromaticContact CZ-NE1 3.33Å; Y357-W361 VanDerWaalsContact CZ-NE1 3.33Å; Y357-W361 VanDerWaalsContact O-CD1 3.28Å; Y357-W361 PolarHBondContact OH-NE1 3.08Å
358Q77.6Confident67.2Low106 Ų106115.6 Ų115.650%0.49559%0.589SS.*Hα-helixtrans-64-35.2176.6-72.7169.2-33.900111.9S355 T360 W361S355-Q358 VanDerWaalsContact N-OE1 3.08Å; S355-Q358 WeakPolarHBondContact O-CB 3.35Å; S355-Q358 PolarHBondContact O-N 3.38Å; S355-Q358 WeakPolarHBondContact OG-CG 3.45Å; S355-Q358 PolarHBondContact OG-N 2.96Å; S355-Q358 PolarHBondContact OG-OE1 2.9Å; Q358-T360 VanDerWaalsContact C-N 3.29Å; Q358-T360 PolarHBondContact O-N 3.49Å; Q358-W361 PolarHBondContact O-N 3.37Å
359A79.4Confident66.4Low15 Ų15121.5 Ų121.512%0.12462%0.616CS.*Hα-helixtrans-60.1-37.4177.200000112.5V350 S355 D356 Y357 W361 I362V350-A359 HydrophobicContact CB-CB 4.49Å; V350-A359 HydrophobicContact CG1-CB 3.64Å; V350-A359 HydrophobicContact CG2-CB 3.98Å; S355-A359 PolarHBondContact O-N 3.02Å; D356-A359 PolarHBondContact O-N 3.02Å; Y357-A359 VanDerWaalsContact C-N 3.27Å; Y357-A359 PolarHBondContact O-N 3.49Å; A359-W361 VanDerWaalsContact C-N 3.27Å; A359-W361 PolarHBondContact O-N 3.18Å; A359-I362 PolarHBondContact O-N 3.34Å
360T74.2Confident65.2Low109 Ų109120.3 Ų120.367%0.66961%0.614SS**THydrogen-bonded Turntrans-71.4-14.3-179.551.50000115.4D356 Y357 Q358D356-T360 PolarHBondContact O-N 3.32Å; Y357-T360 PolarHBondContact O-N 3.35Å; Y357-T360 PolarHBondContact O-OG1 3.28Å; Q358-T360 VanDerWaalsContact C-N 3.29Å; Q358-T360 PolarHBondContact O-N 3.49Å
361W74.3Confident63.5Low175 Ų175125.6 Ų125.666%0.66364%0.64SS**THydrogen-bonded Turntrans-97.6-6.8176.7-72.191.1000113.4Y357 Q358 A359 I363Y357-W361 AromaticContact CE1-NE1 3.66Å; Y357-W361 AromaticContact CE2-NE1 3.75Å; Y357-W361 AromaticContact CZ-NE1 3.33Å; Y357-W361 VanDerWaalsContact CZ-NE1 3.33Å; Y357-W361 VanDerWaalsContact O-CD1 3.28Å; Y357-W361 PolarHBondContact OH-NE1 3.08Å; Q358-W361 PolarHBondContact O-N 3.37Å; A359-W361 VanDerWaalsContact C-N 3.27Å; A359-W361 PolarHBondContact O-N 3.18Å; W361-I363 PolarHBondContact O-N 2.9Å
362I72.6Confident61.5Low73 Ų73125 Ų12537%0.37465%0.65SS.*  trans-74.799.5170.5-59.6169.2000104.7M348 V350 A359M348-I362 HydrophobicContact CE-CB 3.72Å; M348-I362 HydrophobicContact CE-CG2 3.6Å; M348-I362 VanDerWaalsContact CE-O 3.23Å; M348-I362 WeakPolarHBondContact CE-O 3.32Å; V350-I362 HydrophobicContact CG1-CD1 3.71Å; A359-I362 PolarHBondContact O-N 3.34Å
363I55.8Low59.5Low131 Ų131124 Ų12467%0.67265%0.648SS**  trans-73126.3173.9-60.3168.1000106W361 E365W361-I363 PolarHBondContact O-N 2.9Å; I363-E365 PolarHBondContact O-N 3.37Å
364D53.3Low57.1Low68 Ų68125.7 Ų125.736%0.36464%0.643SS.*  trans-70.3116.8169-81-19.9000107M348 D366 E367M348-D364 WeakPolarHBondContact CE-OD1 3.25Å; D364-D366 PolarHBondContact O-N 3.01Å; D364-E367 PolarHBondContact O-N 3.39Å; D364-E367 VanDerWaalsContact O-N 3.15Å
365E48.1Very low54.5Low173 Ų173131.5 Ų131.581%0.80867%0.672SS**G310 helixtrans-58.7-8.4175.6-76.8177.3161.900113.1I363I363-E365 PolarHBondContact O-N 3.37Å
366D48.6Very low52.1Low138 Ų138136.8 Ų136.874%0.73869%0.69SS**G310 helixtrans-84.3-6.4177.4-63.8-27.4000113.8D364D364-D366 PolarHBondContact O-N 3.01Å
367E45.7Very low50.2Low153 Ų153139.3 Ų139.372%0.71570%0.698SS**G310 helixtrans-86.4-5.6174.6-86.2-174.6176.800113.8D364 E369D364-E367 PolarHBondContact O-N 3.39Å; D364-E367 VanDerWaalsContact O-N 3.15Å; E367-E369 VanDerWaalsContact C-N 3.33Å; E367-E369 PolarHBondContact O-N 3.39Å
368E39.7Very low48.1Very low169 Ų169136.8 Ų136.879%0.7970%0.703SS**THydrogen-bonded Turntrans-79.2-9.1176.9-70.2-170.7169.900114
369E40.9Very low45.8Very low188 Ų188137.3 Ų137.388%0.87972%0.718SS**THydrogen-bonded Turntrans-94.7-5.9-178.1-73.1-168.116300115.3E367E367-E369 VanDerWaalsContact C-N 3.33Å; E367-E369 PolarHBondContact O-N 3.39Å
370E39.3Very low43.6Very low182 Ų182143 Ų14385%0.8575%0.747SS**SBendtrans-12232.9-175.7-147177-158.400114
371N35.3Very low41.8Very low161 Ų161146 Ų14686%0.86176%0.759SS**  trans-139.958.8166.9-120.7-2.7000111.5
372G38.8Very low40.1Very low73 Ų73144.2 Ų144.275%0.75376%0.762SS**  trans-10883.5165.300000110.2
373E32.3Very low38.3Very low196 Ų196148.3 Ų148.392%0.91679%0.785SS**  trans-154.7127.3152-110.8172-149.900110.5
374T30.8Very low37.3Very low117 Ų117145.5 Ų145.572%0.71879%0.788SS**  trans-73.7140.7-167.7-35.80000111.8E376T374-E376 HydrophobicContact CG2-CG 4.27Å
375D28.3Very low36.3Very low170 Ų170149.6 Ų149.691%0.90981%0.81SS**  trans-149.298.6142.2-116.4-8.8000109
376E31.9Very low35.6Very low169 Ų169148 Ų14879%0.7981%0.807SS**  trans-76.2122163.7-65.8179.7169.900108T374T374-E376 HydrophobicContact CG2-CG 4.27Å
377E30.9Very low35Very low200 Ų200149 Ų14994%0.93581%0.811SS**  trans-140.6131.9139.5-81.7-140.9177.700111.2
378S31.8Very low34.7Very low107 Ų107150.3 Ų150.375%0.74882%0.82SS**  trans-73.6146.2-172.6135.10000113.2
379S29.9Very low34.3Very low116 Ų116149.1 Ų149.181%0.81182%0.819SS**  trans-154.3105.9141.3179.80000109
380D33Very low33.9Very low135 Ų135148.5 Ų148.572%0.72282%0.816SS**  trans-48.8140.4162-76.6-41.5000111.8
381D36.2Very low33.6Very low171 Ų171144.7 Ų144.791%0.91482%0.816SS**  -155.4112126-98-23.4000107.5
382D38.3Very low33.5Very low138 Ų138145.8 Ų145.874%0.73882%0.818SS**  trans-85.3143.9173.3-172.819.2000109.7
383D36Very low33.1Very low160 Ų160150.5 Ų150.586%0.85683%0.826SS**  trans171.1115.8133.7-94.4-27.8000111.2
384G33Very low33Very low71 Ų71144.4 Ų144.473%0.73282%0.815SS**  trans128.984.3136.400000118
385D33.6Very low32.9Very low155 Ų155147.2 Ų147.283%0.82982%0.82SS**  trans-47.6152.1153.5-73.9-37.6000111.1
386D33.7Very low33.1Very low138 Ų138145.3 Ų145.374%0.73881%0.81SS**  178.7152.575.6-122-27.2000112.9
387L35.2Very low33Very low160 Ų160145.1 Ų145.184%0.83881%0.809SS**  trans94.1116.3147.3-65.4155.5000122.4
388M38.7Very low33Very low180 Ų180143.6 Ų143.689%0.88780%0.802SS**  trans-55.7154.6161.6-56.7171-178.500112.7
389D32Very low32.8Very low144 Ų144144.7 Ų144.777%0.7780%0.799SS**  176.1156.394.6-1481.6000112.6
390E31.9Very low32.7Very low176 Ų176146.4 Ų146.482%0.82279%0.794SS**  trans-67159.5-174.7-57.4174.7151.700115.3
391A33.5Very low32.6Very low102 Ų102144.7 Ų144.784%0.84379%0.793SS**  -178.1119.5123.800000112
392M33.6Very low32.4Very low183 Ų183144.6 Ų144.690%0.90179%0.787SS**  trans-64.4149.6155.8-96.3-173.816500111.8
393D30.8Very low31.8Very low173 Ų173146.3 Ų146.393%0.92579%0.79SS**  trans177.8138.4132.2-104.3-8.6000105.5
394G30.7Very low31.4Very low67 Ų67145.8 Ų145.869%0.69179%0.793SS**  cis163.5145.611.300000105.6
395E28.3Very low31.1Very low177 Ų177146.1 Ų146.183%0.82780%0.796SS**  trans-56.1162.7-178.1-61.2158.2163.200112.3
396D31.2Very low30.9Very low130 Ų130144.9 Ų144.970%0.69580%0.8SS**  176.5157.659.8-111.1-30.5000113.5
397E31.6Very low30.6Very low164 Ų164147.8 Ų147.877%0.76681%0.809SS**  trans61.6116.7140.1-65.2-162.116800127.1
398E29.6Very low30.2Very low169 Ų169144.7 Ų144.779%0.7981%0.806SS**  42.4115.4118-69.5-162.4179.600124.4
399N27.6Very low29.7Very low129 Ų129141.1 Ų141.169%0.6981%0.806SS**  89.2143.4117.1-148.317.4000123.4
400H27.7Very low29.6Very low153 Ų153139.4 Ų139.471%0.70881%0.805SS**  trans97.6110.8156.4-84.7-52.2000124.6
401S31.3Very low29.3Very low98 Ų98140.3 Ų140.369%0.68581%0.809SS**  75146.5128.872.60000118.4
402Q31.3Very low29.3Very low169 Ų169143 Ų14379%0.7981%0.809SS**  cis-160.3130.818.9-118.5161.40.300108
403E27.2Very low29.2Very low174 Ų174143.5 Ų143.581%0.81381%0.81SS**  61.1127.3107.1-92.9-171.7172.900121.4
404T26.2Very low29.2Very low150 Ų150143 Ų14392%0.9281%0.807SS**  trans147.3129.5134.543.30000109
405G28Very low29.2Very low77 Ų77147.8 Ų147.879%0.79482%0.817SS**  cis158.8126.21.700000107.5
406S28.4Very low29.4Very low129 Ų129147.3 Ų147.390%0.90282%0.815SS**  trans-164.6121.7146.548.70000109.9
407Q27.5Very low29.4Very low199 Ų199150.4 Ų150.493%0.9383%0.825SS**  trans-97.4149.2-178.6-67.5173.4-34.400110.7
408A26.4Very low29.3Very low95 Ų95151 Ų15179%0.78583%0.827SS**  trans177.399.9130.200000106.6
409A29.1Very low29.4Very low106 Ų106152 Ų15288%0.87683%0.832SS**  97.312484.600000111
410S29.6Very low29.5Very low107 Ų107154.7 Ų154.775%0.74884%0.84SS**  trans-72.2156.7-171.148.50000114.9
411E26.6Very low29.6Very low195 Ų195155.7 Ų155.791%0.91185%0.846SS**  -165.7130.8129.7-100.7159.1-151.100109.1
412D32.8Very low29.4Very low158 Ų158160 Ų16085%0.84586%0.855SS**  trans-72.4135173.8-67.2-62.8000110.4
413E30.6Very low29.3Very low195 Ų195157.4 Ų157.491%0.91185%0.85SS**  trans-149.7133.4148.5-71-163.7154.900110.4
414D31.6Very low29.2Very low161 Ų161158 Ų15886%0.86185%0.85SS**  trans-68.9129.6172.6-66.4-61.9000110.5
415D30.5Very low29.4Very low168 Ų168155.7 Ų155.790%0.89884%0.841SS**  trans-96.8101.2170.3-96.6-29.7000109.8
416E31.8Very low29.7Very low168 Ų168156.9 Ų156.979%0.78583%0.833SS**  trans-77.4122.4159.6-68.1-175159.500108.7E418E416-E418 PolarHBondContact O-N 3.2Å
417E31.5Very low30.1Very low195 Ų195159.9 Ų159.991%0.91183%0.833SS**  trans-71.994.9172.8-67.8-178.617100109.7E419E417-E419 PolarHBondContact O-N 2.78Å
418E29.9Very low30.7Very low176 Ų176161.5 Ų161.582%0.82283%0.83SS**  trans-74.2114.5164.7-71.8-171.116100109.8E416 E420E416-E418 PolarHBondContact O-N 3.2Å; E418-E420 PolarHBondContact O-N 2.87Å
419E32.7Very low31Very low190 Ų190160.5 Ų160.589%0.88883%0.829SS**  trans-70.4113.8164.6-73-172.8158.800109E417 E421E417-E419 PolarHBondContact O-N 2.78Å; E419-E421 PolarHBondContact O-N 2.89Å; E419-E421 VanDerWaalsContact O-N 3.07Å
420E28Very low31.7Very low185 Ų185159.2 Ų159.286%0.86483%0.826SS**  trans-64.3103.9175-66.3-175.8161.400111.2E418 E422E418-E420 PolarHBondContact O-N 2.87Å; E420-E422 PolarHBondContact O-N 3.24Å
421E30.3Very low32.4Very low175 Ų175158 Ų15882%0.81882%0.823SS**  trans-76.1106.2162.9-74.5-162.3158.400110.2E419 V423E419-E421 PolarHBondContact O-N 2.89Å; E419-E421 VanDerWaalsContact O-N 3.07Å; E421-V423 WeakPolarHBondContact O-CG2 3.12Å; E421-V423 PolarHBondContact O-N 2.83Å
422E27.5Very low33.4Very low188 Ų188154.6 Ų154.688%0.87981%0.81SS**  trans-71.996.4166.2-78.9-154.8163.300110.9E420 F424E420-E422 PolarHBondContact O-N 3.24Å; E422-F424 PolarHBondContact O-N 3.38Å; E422-F424 VanDerWaalsContact O-N 3.15Å
423V29.2Very low34.2Very low115 Ų115154.3 Ų154.370%0.69780%0.804SS**  trans-78.192.3178.6-155.50000111.1E421 S425E421-V423 WeakPolarHBondContact O-CG2 3.12Å; E421-V423 PolarHBondContact O-N 2.83Å; V423-S425 PolarHBondContact O-N 3.5Å
424F25.6Very low35.1Very low185 Ų185154.9 Ų154.981%0.81180%0.798SS**  trans-76.989.5169.8-169.6-101.8000111E422 T426E422-F424 PolarHBondContact O-N 3.38Å; E422-F424 VanDerWaalsContact O-N 3.15Å; F424-T426 VanDerWaalsContact CD1-OG1 3.3Å; F424-T426 WeakPolarHBondContact CD1-OG1 3.35Å; F424-T426 WeakPolarHBondContact CE1-OG1 3.37Å; F424-T426 PolarHBondContact O-N 2.95Å; F424-T426 VanDerWaalsContact O-N 3.08Å
425S29.7Very low36.3Very low102 Ų102154.2 Ų154.271%0.71379%0.785SS**  trans-68.9101.2177-60.90000111.3V423V423-S425 PolarHBondContact O-N 3.5Å
426T34.3Very low37.6Very low103 Ų103151.7 Ų151.763%0.63277%0.771SS**  trans-99.9100164.3-460000109.5F424 R428F424-T426 VanDerWaalsContact CD1-OG1 3.3Å; F424-T426 WeakPolarHBondContact CD1-OG1 3.35Å; F424-T426 WeakPolarHBondContact CE1-OG1 3.37Å; F424-T426 PolarHBondContact O-N 2.95Å; F424-T426 VanDerWaalsContact O-N 3.08Å; T426-R428 PolarHBondContact O-N 3.13Å; T426-R428 VanDerWaalsContact O-N 3.1Å
427E37.5Very low39Very low192 Ų192150.2 Ų150.290%0.89777%0.769SS**  trans-61.4108.4170.1-66.2-176.6151.700110.8
428R38.7Very low40.2Very low233 Ų233147.8 Ų147.888%0.87976%0.762SS**  trans-153.373.5163.1-126.1179.3-165.6-155.32.9114.4T426T426-R428 PolarHBondContact O-N 3.13Å; T426-R428 VanDerWaalsContact O-N 3.1Å
429G34.7Very low41.7Very low73 Ų73142.3 Ų142.375%0.75374%0.737SS**  trans6596.8132.800000119.9A431G429-A431 VanDerWaalsContact C-N 3.29Å; G429-A431 PolarHBondContact O-N 3.25Å
430G43.7Very low43.7Very low80 Ų80138 Ų13883%0.82572%0.72SS**SBend70.5-6.5127.100000120.1
431A43.3Very low46Very low82 Ų82137 Ų13768%0.67872%0.715SS**SBendtrans-98-18.2173.200000113.5G429G429-A431 VanDerWaalsContact C-N 3.29Å; G429-A431 PolarHBondContact O-N 3.25Å
432D48.4Very low48.4Very low122 Ų122131.7 Ų131.765%0.65270%0.701SS**G310 helixtrans-78.8-28.4-176.8-86.9-17.4000114.6R434 Y435D432-R434 PolarHBondContact O-N 3.4Å; D432-Y435 VanDerWaalsContact O-CB 3.29Å; D432-Y435 WeakPolarHBondContact O-CB 3.12Å; D432-Y435 PolarHBondContact O-N 2.66Å
433Q48.5Very low50.8Low153 Ų153124.8 Ų124.872%0.71568%0.676SS**G310 helixtrans-65.6-10.2-175.4-74.7175.1-4.500114.7
434R50.2Low53.3Low207 Ų207123.8 Ų123.878%0.78166%0.664SS**G310 helixtrans-101-3.7174.5-65.6-174.5-175.1-172.60.6113.4D432D432-R434 PolarHBondContact O-N 3.4Å
435Y55.7Low56.1Low147 Ų147121.6 Ų121.658%0.57666%0.656SS**THydrogen-bonded Turntrans-79.1-44.2177-168.9-99.8000109.6D432 D437 N438 M439D432-Y435 VanDerWaalsContact O-CB 3.29Å; D432-Y435 WeakPolarHBondContact O-CB 3.12Å; D432-Y435 PolarHBondContact O-N 2.66Å; Y435-D437 PolarHBondContact O-N 3.26Å; Y435-N438 PolarHBondContact O-N 3.1Å; Y435-M439 HydrophobicContact CD1-CG 4.39Å; Y435-M439 HydrophobicContact CE1-CE 3.7Å; Y435-M439 HydrophobicContact CE1-CG 4.25Å; Y435-M439 WeakPolarHBondContact O-CG 3.15Å; Y435-M439 WeakPolarHBondContact OH-CE 3.47Å
436D59Low58.7Low115 Ų115121.5 Ų121.562%0.61565%0.645SS**G310 helixtrans-66.6-35.9-178.8-57.2-19000112.9N438 M439D436-N438 PolarHBondContact O-N 2.95Å; D436-N438 VanDerWaalsContact O-N 3.16Å; D436-M439 PolarHBondContact O-N 3.4Å
437D59.8Low61.1Low137 Ų137117.6 Ų117.673%0.73363%0.625SS**G310 helixtrans-66.4-17.3-178.5-74-21.9000114.5Y435Y435-D437 PolarHBondContact O-N 3.26Å
438N58.3Low63.4Low144 Ų144113.8 Ų113.877%0.7761%0.61SS**G310 helixtrans-110.50.4-178.2-71.2-36.8000113.6Y435 D436Y435-N438 PolarHBondContact O-N 3.1Å; D436-N438 PolarHBondContact O-N 2.95Å; D436-N438 VanDerWaalsContact O-N 3.16Å
439M60.2Low65.8Low61 Ų61108.4 Ų108.430%0.359%0.593SS.*  trans-95.4115.4-179.4-69.5-69.9-107.200110.1Y435 D436 E441 E444Y435-M439 HydrophobicContact CD1-CG 4.39Å; Y435-M439 HydrophobicContact CE1-CE 3.7Å; Y435-M439 HydrophobicContact CE1-CG 4.25Å; Y435-M439 WeakPolarHBondContact O-CG 3.15Å; Y435-M439 WeakPolarHBondContact OH-CE 3.47Å; D436-M439 PolarHBondContact O-N 3.4Å; M439-E441 PolarHBondContact O-N 3.49Å; M439-E441 VanDerWaalsContact O-N 3.12Å; M439-E444 VanDerWaalsContact CE-CD 3.45Å; M439-E444 WeakPolarHBondContact CE-OE1 3.2Å
440D74.1Confident68.3Low100 Ų100108.2 Ų108.254%0.53557%0.569SS.*  trans-78.393.6170.6-175.5-6.6000108.8A442 A443 E444D440-A442 PolarHBondContact O-N 2.97Å; D440-A442 VanDerWaalsContact O-N 3.09Å; D440-A442 WeakPolarHBondContact OD1-CB 3.49Å; D440-A442 PolarHBondContact OD1-N 3.22Å; D440-A443 HydrophobicContact CB-CB 3.99Å; D440-A443 WeakPolarHBondContact O-CB 3.33Å; D440-A443 PolarHBondContact O-N 2.92Å; D440-E444 PolarHBondContact O-N 2.84Å; D440-E444 VanDerWaalsContact O-N 3.12Å
441E77.2Confident70.6Confident164 Ų164109 Ų10977%0.76655%0.548SS*.Hα-helixtrans-49.8-35.6-179.3-64.8-179.4168.300112.3M439 E444 E445M439-E441 PolarHBondContact O-N 3.49Å; M439-E441 VanDerWaalsContact O-N 3.12Å; E441-E444 PolarHBondContact O-N 3.39Å; E441-E445 WeakPolarHBondContact O-CB 3.46Å; E441-E445 PolarHBondContact O-N 3.45Å
442A80.4Confident72.9Confident63 Ų63113.9 Ų113.952%0.52155%0.549SS..Hα-helixtrans-69.7-38.1179.800000112.2D440 E444 E446D440-A442 PolarHBondContact O-N 2.97Å; D440-A442 VanDerWaalsContact O-N 3.09Å; D440-A442 WeakPolarHBondContact OD1-CB 3.49Å; D440-A442 PolarHBondContact OD1-N 3.22Å; A442-E444 VanDerWaalsContact C-N 3.35Å; A442-E446 WeakPolarHBondContact O-CB 3.47Å; A442-E446 PolarHBondContact O-N 2.88Å
443A79Confident74.9Confident43 Ų43110.9 Ų110.936%0.35553%0.531SS..Hα-helixtrans-68.9-36.8176.400000111.5D440 G447D440-A443 HydrophobicContact CB-CB 3.99Å; D440-A443 WeakPolarHBondContact O-CB 3.33Å; D440-A443 PolarHBondContact O-N 2.92Å; A443-G447 PolarHBondContact O-N 2.84Å
444E81.1Confident76.9Confident93 Ų93104.6 Ų104.644%0.43551%0.505SS..Hα-helixtrans-67.5-46.8175.2-62.6-142.4124.800112M439 D440 E441 A442 E446 G447 L448M439-E444 VanDerWaalsContact CE-CD 3.45Å; M439-E444 WeakPolarHBondContact CE-OE1 3.2Å; D440-E444 PolarHBondContact O-N 2.84Å; D440-E444 VanDerWaalsContact O-N 3.12Å; E441-E444 PolarHBondContact O-N 3.39Å; A442-E444 VanDerWaalsContact C-N 3.35Å; E444-E446 VanDerWaalsContact C-N 3.28Å; E444-E446 PolarHBondContact O-N 2.87Å; E444-G447 CarbonylContact O-C 3.59Å; E444-G447 WeakPolarHBondContact O-CA 3.21Å; E444-G447 PolarHBondContact O-N 2.84Å; E444-L448 WeakPolarHBondContact O-CD1 2.94Å; E444-L448 WeakPolarHBondContact O-CG 3.37Å; E444-L448 PolarHBondContact O-N 3.41Å
445E84.6Confident78.8Confident140 Ų140103 Ų10365%0.65450%0.499SS*.Hα-helixtrans-58.1-42.9176.5-166.3-168.4172.200110.9E441 G447 L448 K449E441-E445 WeakPolarHBondContact O-CB 3.46Å; E441-E445 PolarHBondContact O-N 3.45Å; E445-G447 VanDerWaalsContact C-N 3.34Å; E445-G447 PolarHBondContact O-N 2.91Å; E445-L448 PolarHBondContact O-N 3.47Å; E445-K449 WeakPolarHBondContact O-CB 3.22Å; E445-K449 PolarHBondContact O-N 2.9Å
446E83.5Confident80.5Confident100 Ų10098.9 Ų98.947%0.46749%0.492SS..Hα-helixtrans-63.6-40.5174.7-155.5-161.1158.900111.6A442 E444 K449 R450A442-E446 WeakPolarHBondContact O-CB 3.47Å; A442-E446 PolarHBondContact O-N 2.88Å; E444-E446 VanDerWaalsContact C-N 3.28Å; E444-E446 PolarHBondContact O-N 2.87Å; E446-K449 PolarHBondContact O-N 3.47Å; E446-R450 WeakPolarHBondContact O-CG 3.44Å; E446-R450 PolarHBondContact O-N 2.88Å; E446-R450 IonicContact OE1-CZ 3.36Å; E446-R450 VanDerWaalsContact OE1-CZ 3.29Å; E446-R450 IonicContact OE1-NE 3.99Å; E446-R450 PolarHBondContact OE1-NE 3.07Å; E446-R450 VanDerWaalsContact OE1-NE 3.12Å; E446-R450 IonicContact OE1-NH2 3.85Å; E446-R450 PolarHBondContact OE1-NH2 3.26Å; E446-R450 IonicContact OE2-CZ 3.92Å; E446-R450 IonicContact OE2-NH2 2.8Å; E446-R450 PolarHBondContact OE2-NH2 2.98Å
447G84.2Confident82Confident21 Ų2194.7 Ų94.722%0.21647%0.468CS..Hα-helixtrans-57.3-52.6173.100000112.4A443 E444 E445 K449 R450 Y451A443-G447 PolarHBondContact O-N 2.84Å; E444-G447 CarbonylContact O-C 3.59Å; E444-G447 WeakPolarHBondContact O-CA 3.21Å; E444-G447 PolarHBondContact O-N 2.84Å; E445-G447 VanDerWaalsContact C-N 3.34Å; E445-G447 PolarHBondContact O-N 2.91Å; G447-K449 VanDerWaalsContact C-N 3.31Å; G447-K449 PolarHBondContact O-N 3.4Å; G447-R450 WeakPolarHBondContact O-CB 3.47Å; G447-R450 PolarHBondContact O-N 2.77Å; G447-R450 VanDerWaalsContact O-N 3.1Å; G447-Y451 VanDerWaalsContact O-CD2 3.25Å; G447-Y451 WeakPolarHBondContact O-CD2 3.37Å; G447-Y451 PolarHBondContact O-N 3.14Å
448L86.9Confident83.3Confident112 Ų11295.9 Ų95.959%0.58647%0.47SS*.Hα-helixtrans-57.8-43.6177.2-76.4148.5000111.5E444 E445 R450 Y451 R452E444-L448 WeakPolarHBondContact O-CD1 2.94Å; E444-L448 WeakPolarHBondContact O-CG 3.37Å; E444-L448 PolarHBondContact O-N 3.41Å; E445-L448 PolarHBondContact O-N 3.47Å; L448-R450 PolarHBondContact O-N 3.04Å; L448-Y451 PolarHBondContact O-N 3.46Å; L448-R452 PolarHBondContact O-N 2.81Å
449K88.8Confident84.9Confident119 Ų11995.1 Ų95.152%0.51747%0.465SS..Hα-helixtrans-61.6-42.5175-173.4175.3-177.4171.90111.8E445 E446 G447 Y451 R452 E453E445-K449 WeakPolarHBondContact O-CB 3.22Å; E445-K449 PolarHBondContact O-N 2.9Å; E446-K449 PolarHBondContact O-N 3.47Å; G447-K449 VanDerWaalsContact C-N 3.31Å; G447-K449 PolarHBondContact O-N 3.4Å; K449-Y451 VanDerWaalsContact C-N 3.35Å; K449-Y451 PolarHBondContact O-N 3.14Å; K449-R452 PolarHBondContact O-N 2.85Å; K449-E453 WeakPolarHBondContact O-CB 3.26Å; K449-E453 WeakPolarHBondContact O-CG 3.28Å; K449-E453 PolarHBondContact O-N 2.97Å
450R88Confident86.3Confident69 Ų6997.1 Ų97.126%0.2647%0.472SS..Hα-helixtrans-61.8-41175.6-71.1166.1-174.7-178.12.9111.7E446 G447 L448 E453 A454E446-R450 WeakPolarHBondContact O-CG 3.44Å; E446-R450 PolarHBondContact O-N 2.88Å; E446-R450 IonicContact OE1-CZ 3.36Å; E446-R450 VanDerWaalsContact OE1-CZ 3.29Å; E446-R450 IonicContact OE1-NE 3.99Å; E446-R450 PolarHBondContact OE1-NE 3.07Å; E446-R450 VanDerWaalsContact OE1-NE 3.12Å; E446-R450 IonicContact OE1-NH2 3.85Å; E446-R450 PolarHBondContact OE1-NH2 3.26Å; E446-R450 IonicContact OE2-CZ 3.92Å; E446-R450 IonicContact OE2-NH2 2.8Å; E446-R450 PolarHBondContact OE2-NH2 2.98Å; G447-R450 WeakPolarHBondContact O-CB 3.47Å; G447-R450 PolarHBondContact O-N 2.77Å; G447-R450 VanDerWaalsContact O-N 3.1Å; L448-R450 PolarHBondContact O-N 3.04Å; R450-E453 PolarHBondContact O-N 3.22Å; R450-A454 WeakPolarHBondContact O-CB 3.34Å; R450-A454 PolarHBondContact O-N 2.94Å
451Y91.2Very high87Confident97 Ų9795.1 Ų95.138%0.3846%0.464SS..Hα-helixtrans-64-43.2173.9-83.7-79000112.4G447 L448 K449 A454 R455 P582G447-Y451 VanDerWaalsContact O-CD2 3.25Å; G447-Y451 WeakPolarHBondContact O-CD2 3.37Å; G447-Y451 PolarHBondContact O-N 3.14Å; L448-Y451 PolarHBondContact O-N 3.46Å; K449-Y451 VanDerWaalsContact C-N 3.35Å; K449-Y451 PolarHBondContact O-N 3.14Å; Y451-A454 PolarHBondContact O-N 2.8Å; Y451-R455 WeakPolarHBondContact O-CG 3.38Å; Y451-R455 PolarHBondContact O-N 3.2Å; Y451-P582 HydrophobicContact CD1-CG 4.01Å; Y451-P582 HydrophobicContact CD2-CG 4.47Å; Y451-P582 VanDerWaalsContact CE1-CD 3.49Å; Y451-P582 HydrophobicContact CE1-CG 4.08Å; Y451-P582 HydrophobicContact CG-CG 4.21Å
452R91.9Very high87.7Confident184 Ų18487.4 Ų87.469%0.69443%0.428SS*.Hα-helixtrans-61.1-46175.6-168.9-178.4-66153.80.2111.2L448 K449 R455 S456L448-R452 PolarHBondContact O-N 2.81Å; K449-R452 PolarHBondContact O-N 2.85Å; R452-R455 PolarHBondContact O-N 3.4Å; R452-S456 WeakPolarHBondContact O-CB 3.32Å; R452-S456 PolarHBondContact O-N 2.87Å; R452-S456 PolarHBondContact O-OG 3.16Å
453E90.3Very high88.2Confident60 Ų6086.6 Ų86.628%0.2841%0.414SS..Hα-helixtrans-60.7-44.9175.7-75.5-176.3-168.200111.7K449 R450 S456 H457 K584 F618K449-E453 WeakPolarHBondContact O-CB 3.26Å; K449-E453 WeakPolarHBondContact O-CG 3.28Å; K449-E453 PolarHBondContact O-N 2.97Å; R450-E453 PolarHBondContact O-N 3.22Å; E453-S456 WeakPolarHBondContact CA-OG 3.24Å; E453-S456 PolarHBondContact O-N 2.82Å; E453-S456 PolarHBondContact O-OG 2.93Å; E453-H457 WeakPolarHBondContact O-CB 3.41Å; E453-H457 PolarHBondContact O-N 2.89Å; E453-K584 IonicContact OE2-NZ 2.68Å; E453-K584 PolarHBondContact OE2-NZ 3.09Å; E453-F618 HydrophobicContact CB-CZ 4.01Å
454A89.8Confident88.8Confident20 Ų2085.8 Ų85.817%0.16541%0.405CS..Hα-helixtrans-63.4-46.9179.500000111.9R450 Y451 S456 H457 E458 P582 F618R450-A454 WeakPolarHBondContact O-CB 3.34Å; R450-A454 PolarHBondContact O-N 2.94Å; Y451-A454 PolarHBondContact O-N 2.8Å; A454-S456 VanDerWaalsContact C-N 3.34Å; A454-S456 PolarHBondContact O-N 3.18Å; A454-H457 PolarHBondContact O-N 2.83Å; A454-E458 PolarHBondContact O-N 3.09Å; A454-P582 HydrophobicContact CB-CB 3.62Å; A454-P582 HydrophobicContact CB-CG 4.15Å; A454-F618 HydrophobicContact CB-CD1 4.41Å; A454-F618 HydrophobicContact CB-CE1 4.22Å; A454-F618 HydrophobicContact CB-CE2 4.36Å; A454-F618 HydrophobicContact CB-CZ 4.2Å
455R91.9Very high89.3Confident175 Ų17587.3 Ų87.366%0.6642%0.416SS*.Hα-helixtrans-61.4-42.4175.1-72-178.1-178.1174.53.1111.7Y451 R452 H457 E458 L459Y451-R455 WeakPolarHBondContact O-CG 3.38Å; Y451-R455 PolarHBondContact O-N 3.2Å; R452-R455 PolarHBondContact O-N 3.4Å; R455-H457 VanDerWaalsContact C-N 3.31Å; R455-H457 PolarHBondContact O-N 2.87Å; R455-E458 PolarHBondContact O-N 2.76Å; R455-L459 WeakPolarHBondContact O-CG 3.36Å; R455-L459 PolarHBondContact O-N 3.31Å; R455-L459 VanDerWaalsContact O-N 3.09Å
456S90.6Very high89.6Confident59 Ų5981.5 Ų81.541%0.41339%0.39SS..Hα-helixtrans-63.4-36.9176.676.10000112.3R452 E453 A454 F460R452-S456 WeakPolarHBondContact O-CB 3.32Å; R452-S456 PolarHBondContact O-N 2.87Å; R452-S456 PolarHBondContact O-OG 3.16Å; E453-S456 WeakPolarHBondContact CA-OG 3.24Å; E453-S456 PolarHBondContact O-N 2.82Å; E453-S456 PolarHBondContact O-OG 2.93Å; A454-S456 VanDerWaalsContact C-N 3.34Å; A454-S456 PolarHBondContact O-N 3.18Å; S456-F460 WeakPolarHBondContact O-CA 3.34Å; S456-F460 WeakPolarHBondContact O-CB 3.4Å; S456-F460 PolarHBondContact O-N 3.02Å
457H89.3Confident89.9Confident27 Ų2777.9 Ų77.913%0.12538%0.375CS..Hα-helixtrans-71.9-33.7178.3-176.3-105.1000112.5E453 A454 R455 F460 P461 D462 F618E453-H457 WeakPolarHBondContact O-CB 3.41Å; E453-H457 PolarHBondContact O-N 2.89Å; A454-H457 PolarHBondContact O-N 2.83Å; R455-H457 VanDerWaalsContact C-N 3.31Å; R455-H457 PolarHBondContact O-N 2.87Å; H457-F460 CarbonylContact O-C 3.45Å; H457-P461 VanDerWaalsContact O-CA 3.29Å; H457-P461 WeakPolarHBondContact O-CA 3.29Å; H457-D462 IonicContact CD2-OD1 2.94Å; H457-D462 IonicContact CE1-OD1 3.8Å; H457-D462 IonicContact NE2-OD1 2.79Å; H457-D462 PolarHBondContact NE2-OD1 3.31Å; H457-F618 HydrophobicContact CB-CD2 4.1Å; H457-F618 HydrophobicContact CB-CE2 3.95Å; H457-F618 AromaticContact ND1-CD2 3.91Å
458E88.6Confident90.1Very high163 Ų16382.8 Ų82.876%0.76240%0.396SS*.Hα-helixtrans-66.3-44.7174.5-172.7171.9-16800111.6A454 R455A454-E458 PolarHBondContact O-N 3.09Å; R455-E458 PolarHBondContact O-N 2.76Å
459L90.5Very high90.2Very high128 Ų12885.3 Ų85.367%0.6741%0.41SS*.Hα-helixtrans-70.1-42.5175.5-67.1169.7000112.3R455R455-L459 WeakPolarHBondContact O-CG 3.36Å; R455-L459 PolarHBondContact O-N 3.31Å; R455-L459 VanDerWaalsContact O-N 3.09Å
460F91.4Very high90.3Very high102 Ų10281.5 Ų81.545%0.44740%0.401SS..SBendtrans-12785.6-173.2-55.4-73000111S456 H457 D462 E463S456-F460 WeakPolarHBondContact O-CA 3.34Å; S456-F460 WeakPolarHBondContact O-CB 3.4Å; S456-F460 PolarHBondContact O-N 3.02Å; H457-F460 CarbonylContact O-C 3.45Å; F460-D462 PolarHBondContact O-N 2.91Å; F460-D462 VanDerWaalsContact O-N 3.09Å; F460-E463 HydrophobicContact CB-CB 4.15Å; F460-E463 HydrophobicContact CB-CG 4.14Å
461P88.9Confident90.5Very high58 Ų5879.8 Ų79.838%0.37740%0.398SS..THydrogen-bonded Turntrans-72.4109.9-169.927.3-35.2000112.7H457 E463 R671H457-P461 VanDerWaalsContact O-CA 3.29Å; H457-P461 WeakPolarHBondContact O-CA 3.29Å; P461-E463 PolarHBondContact O-N 3.28Å; P461-R671 PolarHBondContact O-NH2 3.03Å
462D90.8Very high90.5Very high2 Ų275.3 Ų75.31%0.01138%0.381CS..THydrogen-bonded Turntrans65.116.7178-45.8-55.5000115.7H457 F460 K614 R617 R671 V673H457-D462 IonicContact CD2-OD1 2.94Å; H457-D462 IonicContact CE1-OD1 3.8Å; H457-D462 IonicContact NE2-OD1 2.79Å; H457-D462 PolarHBondContact NE2-OD1 3.31Å; F460-D462 PolarHBondContact O-N 2.91Å; F460-D462 VanDerWaalsContact O-N 3.09Å; D462-K614 WeakPolarHBondContact OD2-CE 3.25Å; D462-K614 IonicContact OD2-NZ 2.84Å; D462-K614 PolarHBondContact OD2-NZ 3.37Å; D462-R617 IonicContact OD1-NE 3.66Å; D462-R671 IonicContact OD2-CZ 2.84Å; D462-R671 IonicContact OD2-NE 2.63Å; D462-R671 PolarHBondContact OD2-NE 2.82Å; D462-R671 IonicContact OD2-NH2 3.03Å; D462-R671 PolarHBondContact OD2-NH2 2.76Å; D462-V673 HydrophobicContact CB-CG2 4.36Å; D462-V673 PolarHBondContact O-N 3.34Å
463E92.2Very high90.5Very high47 Ų4770.3 Ų70.322%0.2236%0.362CS..BIsolated β-bridgetrans-66.3136.5171.5-62.4-172.5-163.700109.5F460 P461 V673 K709F460-E463 HydrophobicContact CB-CB 4.15Å; F460-E463 HydrophobicContact CB-CG 4.14Å; P461-E463 PolarHBondContact O-N 3.28Å; E463-V673 WeakPolarHBondContact CA-O 3.48Å; E463-V673 HydrophobicContact CG-CB 4.23Å; E463-V673 HydrophobicContact CG-CG1 4.39Å; E463-K709 WeakPolarHBondContact OE1-CE 3.25Å; E463-K709 IonicContact OE1-NZ 3.03Å; E463-K709 PolarHBondContact OE1-NZ 2.99Å; E463-K709 IonicContact OE2-NZ 3.58Å
464V91.6Very high90.6Very high26 Ų2672.7 Ų72.716%0.15838%0.376CS..  trans-143.4131.3178.5-179.70000108I672 V673 L674V464-I672 HydrophobicContact CB-CG2 3.86Å; V464-I672 HydrophobicContact CG2-CG1 4.39Å; V464-I672 HydrophobicContact CG2-CG2 3.89Å; V464-V673 PolarHBondContact N-O 3.33Å; V464-L674 WeakPolarHBondContact O-CD2 3.37Å
465D91.1Very high90.7Very high125 Ų12577.4 Ų77.467%0.66839%0.39SS*.PPolyproline II helixtrans-72.5142.2176.9-58.7-31.3000111.5R475D465-R475 PolarHBondContact O-NH2 3.39Å
466T91.1Very high90.8Very high17 Ų1769.3 Ų69.310%0.10436%0.359CS..PPolyproline II helixtrans-73.5129.2171.543.20000109.1F476 L674 M691 F693T466-F476 HydrophobicContact CG2-CE2 4.21Å; T466-L674 HydrophobicContact CG2-CD1 3.72Å; T466-L674 HydrophobicContact CG2-CD2 3.85Å; T466-L674 HydrophobicContact CG2-CG 4.25Å; T466-M691 WeakPolarHBondContact CG2-O 3.44Å; T466-M691 PolarHBondContact OG1-O 2.63Å; T466-F693 WeakPolarHBondContact OG1-CE2 3.18Å
467P89.5Confident90.8Very high25 Ų2571.4 Ų71.416%0.16236%0.362CS..PPolyproline II helixtrans-68.7147.7176.432.1-35.9000110A470 R475P467-A470 HydrophobicContact CG-CB 4.27Å; P467-R475 VanDerWaalsContact CD-CD 3.48Å; P467-R475 VanDerWaalsContact CG-CD 3.4Å
468L88.1Confident90.9Very high124 Ų12480.2 Ų80.265%0.64940%0.395SS*.SBendtrans-78.1-36.8170.5-70.5161.8000111A470 F693L468-A470 PolarHBondContact O-N 3.39Å; L468-F693 HydrophobicContact CD2-CD1 3.5Å; L468-F693 VanDerWaalsContact CD2-CD1 3.5Å; L468-F693 HydrophobicContact CD2-CD2 3.68Å; L468-F693 HydrophobicContact CD2-CE1 3.42Å; L468-F693 VanDerWaalsContact CD2-CE1 3.42Å; L468-F693 HydrophobicContact CD2-CE2 3.61Å; L468-F693 HydrophobicContact CD2-CG 3.62Å; L468-F693 HydrophobicContact CD2-CZ 3.49Å; L468-F693 VanDerWaalsContact CD2-CZ 3.49Å; L468-F693 HydrophobicContact CG-CD2 4.37Å; L468-F693 HydrophobicContact CG-CE2 4.08Å; L468-F693 HydrophobicContact CG-CZ 4.17Å
469D89.4Confident91.2Very high164 Ų16473.6 Ų73.688%0.87736%0.363SS*.SBendtrans-73.8-23.9-170.3-45.8-40000114.1
470A90.5Very high91.3Very high40 Ų4071.3 Ų71.333%0.33135%0.345SS..SBendtrans-129.5135.9-174.300000111.2P467 L468 A472P467-A470 HydrophobicContact CG-CB 4.27Å; L468-A470 PolarHBondContact O-N 3.39Å; A470-A472 PolarHBondContact O-N 2.93Å
471P92.3Very high91.4Very high32 Ų3267.9 Ų67.921%0.20834%0.338CS..  trans-62.3136.9177.627.3-35.4000110.8R473 I474 R475P471-R473 HydrophobicContact CB-CG 4.36Å; P471-R473 PolarHBondContact O-N 2.87Å; P471-I474 HydrophobicContact CG-CB 4.13Å; P471-I474 HydrophobicContact CG-CD1 3.49Å; P471-I474 VanDerWaalsContact CG-CD1 3.49Å; P471-I474 HydrophobicContact CG-CG1 3.73Å; P471-I474 PolarHBondContact O-N 3.36Å; P471-I474 VanDerWaalsContact O-N 3.09Å; P471-R475 PolarHBondContact O-N 3.29Å
472A91.7Very high91.6Very high3 Ų366.3 Ų66.33%0.02533%0.327CS..Hα-helixtrans-62.4-33.2-172.700000111.8A470 I474 R475 F476 F692 D697 F701A470-A472 PolarHBondContact O-N 2.93Å; A472-I474 VanDerWaalsContact C-N 3.31Å; A472-I474 PolarHBondContact O-N 2.87Å; A472-R475 PolarHBondContact O-N 3.08Å; A472-F476 HydrophobicContact CB-CD2 4.12Å; A472-F476 HydrophobicContact CB-CE2 4.3Å; A472-F476 WeakPolarHBondContact O-CB 3.41Å; A472-F476 WeakPolarHBondContact O-CD2 3.4Å; A472-F476 PolarHBondContact O-N 3.45Å; A472-F692 HydrophobicContact CB-CD1 3.69Å; A472-F692 HydrophobicContact CB-CE1 3.86Å; A472-D697 HydrophobicContact CB-CB 4.15Å; A472-D697 VanDerWaalsContact N-CG 3.28Å; A472-D697 PolarHBondContact N-OD1 3.16Å; A472-D697 PolarHBondContact N-OD2 2.94Å; A472-F701 HydrophobicContact CB-CE2 4.11Å
473R90.9Very high91.6Very high79 Ų7974.2 Ų74.230%0.29836%0.361SS..Hα-helixtrans-57.3-42.3175.372.6-168.5-179.1-144.5-1.4112.3P471 F476 Q477 D696 D697 W700P471-R473 HydrophobicContact CB-CG 4.36Å; P471-R473 PolarHBondContact O-N 2.87Å; R473-F476 CarbonylContact O-C 3.47Å; R473-Q477 WeakPolarHBondContact O-CA 3.31Å; R473-Q477 WeakPolarHBondContact O-CB 3.4Å; R473-Q477 PolarHBondContact O-N 3.45Å; R473-Q477 PolarHBondContact O-OE1 2.96Å; R473-D696 IonicContact CZ-OD2 2.69Å; R473-D696 VanDerWaalsContact NH1-CG 3.33Å; R473-D696 IonicContact NH1-OD2 2.64Å; R473-D696 PolarHBondContact NH1-OD2 2.97Å; R473-D696 IonicContact NH2-OD2 3.95Å; R473-D697 WeakPolarHBondContact CB-OD1 3.23Å; R473-D697 WeakPolarHBondContact CG-OD1 3.45Å; R473-D697 PolarHBondContact N-OD1 3.09Å; R473-W700 HydrophobicContact CB-CB 4.31Å; R473-W700 HydrophobicContact CB-CD2 4.23Å; R473-W700 HydrophobicContact CB-CG 3.93Å
474I92.3Very high91.5Very high110 Ų11074.1 Ų74.156%0.56437%0.365SS*.Hα-helixtrans-72.9-46.6-178-61.2-176.5000109.9P471 A472 F476 Q477P471-I474 HydrophobicContact CG-CB 4.13Å; P471-I474 HydrophobicContact CG-CD1 3.49Å; P471-I474 VanDerWaalsContact CG-CD1 3.49Å; P471-I474 HydrophobicContact CG-CG1 3.73Å; P471-I474 PolarHBondContact O-N 3.36Å; P471-I474 VanDerWaalsContact O-N 3.09Å; A472-I474 VanDerWaalsContact C-N 3.31Å; A472-I474 PolarHBondContact O-N 2.87Å; I474-F476 VanDerWaalsContact C-N 3.28Å; I474-F476 PolarHBondContact O-N 3.42Å; I474-Q477 PolarHBondContact O-N 3.41Å
475R92.3Very high91.6Very high120 Ų12075 Ų7545%0.45337%0.368SS..Hα-helixtrans-60.6-38.4178175.3167.3168.1153-12.6112.4D465 P467 P471 A472D465-R475 PolarHBondContact O-NH2 3.39Å; P467-R475 VanDerWaalsContact CD-CD 3.48Å; P467-R475 VanDerWaalsContact CG-CD 3.4Å; P471-R475 PolarHBondContact O-N 3.29Å; A472-R475 PolarHBondContact O-N 3.08Å
476F93.8Very high91.6Very high4 Ų479.2 Ų79.22%0.01837%0.374CS..THydrogen-bonded Turntrans-107.122.6-177-53.1-63.8000113.7T466 A472 R473 I474 R478 Y479 I672 L674 F701 L744T466-F476 HydrophobicContact CG2-CE2 4.21Å; A472-F476 HydrophobicContact CB-CD2 4.12Å; A472-F476 HydrophobicContact CB-CE2 4.3Å; A472-F476 WeakPolarHBondContact O-CB 3.41Å; A472-F476 WeakPolarHBondContact O-CD2 3.4Å; A472-F476 PolarHBondContact O-N 3.45Å; R473-F476 CarbonylContact O-C 3.47Å; I474-F476 VanDerWaalsContact C-N 3.28Å; I474-F476 PolarHBondContact O-N 3.42Å; F476-R478 PolarHBondContact O-N 3.37Å; F476-R478 VanDerWaalsContact O-N 3.11Å; F476-Y479 HydrophobicContact CB-CD2 3.94Å; F476-Y479 HydrophobicContact CB-CG 4.35Å; F476-Y479 HydrophobicContact CD1-CD2 4.02Å; F476-Y479 HydrophobicContact CD1-CE2 4.07Å; F476-Y479 HydrophobicContact CG-CD2 4.49Å; F476-Y479 VanDerWaalsContact O-CB 3.31Å; F476-Y479 WeakPolarHBondContact O-CB 3.28Å; F476-Y479 PolarHBondContact O-N 2.87Å; F476-I672 HydrophobicContact CD1-CD1 4.27Å; F476-I672 HydrophobicContact CE1-CD1 3.9Å; F476-I672 HydrophobicContact CE1-CG2 4.27Å; F476-L674 HydrophobicContact CD2-CD1 4.24Å; F476-L674 HydrophobicContact CE2-CD1 3.96Å; F476-L674 HydrophobicContact CE2-CD2 3.86Å; F476-L674 HydrophobicContact CZ-CD2 3.74Å; F476-F701 HydrophobicContact CB-CZ 4.03Å; F476-L744 HydrophobicContact CB-CD1 4.2Å; F476-L744 HydrophobicContact CG-CD1 4.27Å
477Q91.5Very high91.6Very high103 Ų10382.9 Ų82.948%0.48140%0.4SS..THydrogen-bonded Turntrans-54.4-37.1-175.9-171.966.732.900113.7R473 I474 Y479R473-Q477 WeakPolarHBondContact O-CA 3.31Å; R473-Q477 WeakPolarHBondContact O-CB 3.4Å; R473-Q477 PolarHBondContact O-N 3.45Å; R473-Q477 PolarHBondContact O-OE1 2.96Å; I474-Q477 PolarHBondContact O-N 3.41Å; Q477-Y479 VanDerWaalsContact C-N 3.26Å; Q477-Y479 PolarHBondContact O-N 2.98Å
478R91.4Very high91.7Very high213 Ų21382.7 Ų82.780%0.80440%0.399SS*.THydrogen-bonded Turntrans-81.2-0.6179.7-69.1-175.3168.4-170.7-1.3114.1F476 K746F476-R478 PolarHBondContact O-N 3.37Å; F476-R478 VanDerWaalsContact O-N 3.11Å; R478-K746 HydrophobicContact CB-CD 4.44Å; R478-K746 WeakPolarHBondContact O-CB 3.27Å
479Y94.3Very high92Very high23 Ų2382.6 Ų82.69%0.0941%0.407CS..  trans-97.6147.6-178.7-71-100.8000110.9F476 Q477 I672 L744 Y745 K746F476-Y479 HydrophobicContact CB-CD2 3.94Å; F476-Y479 HydrophobicContact CB-CG 4.35Å; F476-Y479 HydrophobicContact CD1-CD2 4.02Å; F476-Y479 HydrophobicContact CD1-CE2 4.07Å; F476-Y479 HydrophobicContact CG-CD2 4.49Å; F476-Y479 VanDerWaalsContact O-CB 3.31Å; F476-Y479 WeakPolarHBondContact O-CB 3.28Å; F476-Y479 PolarHBondContact O-N 2.87Å; Q477-Y479 VanDerWaalsContact C-N 3.26Å; Q477-Y479 PolarHBondContact O-N 2.98Å; Y479-I672 HydrophobicContact CE1-CB 4.22Å; Y479-I672 HydrophobicContact CE1-CD1 3.64Å; Y479-I672 HydrophobicContact CE1-CG1 3.75Å; Y479-I672 HydrophobicContact CE2-CD1 4.14Å; Y479-I672 WeakPolarHBondContact OH-CD1 3.48Å; Y479-L744 HydrophobicContact CD1-CB 3.93Å; Y479-L744 HydrophobicContact CG-CB 4.28Å; Y479-Y745 WeakPolarHBondContact CA-O 3.26Å; Y479-K746 HydrophobicContact CD1-CB 3.84Å; Y479-K746 HydrophobicContact CD1-CG 4.4Å; Y479-K746 HydrophobicContact CD2-CB 4.38Å; Y479-K746 HydrophobicContact CD2-CD 4.35Å; Y479-K746 HydrophobicContact CE1-CB 3.86Å; Y479-K746 HydrophobicContact CE1-CD 4.19Å; Y479-K746 HydrophobicContact CE1-CG 3.9Å; Y479-K746 HydrophobicContact CE2-CB 4.43Å; Y479-K746 HydrophobicContact CE2-CD 3.75Å; Y479-K746 HydrophobicContact CE2-CG 4.35Å; Y479-K746 HydrophobicContact CG-CB 4.09Å
480R92Very high92.1Very high80 Ų8075.9 Ų75.930%0.30237%0.369SS..EExtended strand (participates in β ladder)trans-128.615017271.6-176.593.4169.612.3111.3L482 W490 E494 Y745R480-L482 HydrophobicContact CG-CD2 4.31Å; R480-W490 HydrophobicContact CG-CE3 4.48Å; R480-W490 HydrophobicContact CG-CH2 3.76Å; R480-W490 HydrophobicContact CG-CZ3 3.46Å; R480-W490 VanDerWaalsContact CG-CZ3 3.46Å; R480-W490 VanDerWaalsContact CZ-CH2 3.42Å; R480-W490 VanDerWaalsContact CZ-CZ2 3.42Å; R480-E494 IonicContact CZ-OE1 3.59Å; R480-E494 VanDerWaalsContact CZ-OE1 3.31Å; R480-E494 IonicContact CZ-OE2 3.91Å; R480-E494 IonicContact NH1-OE1 3.79Å; R480-E494 PolarHBondContact NH1-OE1 2.87Å; R480-E494 IonicContact NH1-OE2 2.91Å; R480-E494 PolarHBondContact NH1-OE2 2.92Å; R480-E494 IonicContact NH2-OE1 2.89Å; R480-E494 PolarHBondContact NH2-OE1 2.89Å; R480-E494 IonicContact NH2-OE2 3.07Å; R480-E494 PolarHBondContact NH2-OE2 3.16Å; R480-Y745 PolarHBondContact N-O 3.13Å; R480-Y745 PolarHBondContact O-N 3.3Å
481G93.4Very high92.2Very high30 Ų3078.1 Ų78.131%0.30938%0.375SS..EExtended strand (participates in β ladder)trans-76.6140.3169.100000110.8
482L92.9Very high92.1Very high25 Ų2578.6 Ų78.613%0.13138%0.378CS..  trans-120.9130.3171.3-62.9177.8000108.9R480 S484 W490 L669 Y745R480-L482 HydrophobicContact CG-CD2 4.31Å; L482-S484 VanDerWaalsContact C-N 3.31Å; L482-S484 PolarHBondContact O-N 3.46Å; L482-W490 HydrophobicContact CD1-CE3 4.09Å; L482-W490 HydrophobicContact CD1-CZ3 4.2Å; L482-W490 HydrophobicContact CD2-CE3 4.14Å; L482-W490 HydrophobicContact CD2-CZ3 4.26Å; L482-W490 HydrophobicContact CG-CZ3 4.48Å; L482-L669 HydrophobicContact CD1-CD1 4.09Å; L482-Y745 HydrophobicContact CB-CD2 3.85Å; L482-Y745 HydrophobicContact CB-CE2 3.96Å; L482-Y745 HydrophobicContact CD1-CD2 3.77Å; L482-Y745 HydrophobicContact CD1-CE2 4.32Å; L482-Y745 HydrophobicContact CD1-CG 3.92Å; L482-Y745 HydrophobicContact CG-CD2 3.74Å; L482-Y745 HydrophobicContact CG-CE2 4.34Å; L482-Y745 HydrophobicContact CG-CG 4.3Å
483K90.7Very high91.9Very high169 Ų16982.9 Ų82.974%0.73540%0.399SS*.SBendtrans-61-40175.2-173.7174.3-175.11730112.2
484S91.4Very high91.7Very high44 Ų4481.8 Ų81.831%0.30840%0.397SS..  trans-150.6121.5177.3168.80000110.5L482 R486 S487 S488L482-S484 VanDerWaalsContact C-N 3.31Å; L482-S484 PolarHBondContact O-N 3.46Å; S484-R486 PolarHBondContact O-N 2.99Å; S484-R486 VanDerWaalsContact O-N 3.08Å; S484-R486 PolarHBondContact OG-N 3.1Å; S484-S487 VanDerWaalsContact CB-OG 3.22Å; S484-S487 WeakPolarHBondContact CB-OG 3.4Å; S484-S487 PolarHBondContact O-N 2.74Å; S484-S487 PolarHBondContact OG-N 2.82Å; S484-S487 PolarHBondContact OG-OG 2.85Å; S484-S488 WeakPolarHBondContact O-CB 3.44Å; S484-S488 PolarHBondContact O-N 2.93Å; S484-S488 PolarHBondContact O-OG 2.79Å
485F92.4Very high91.4Very high46 Ų4681.2 Ų81.220%0.20240%0.395CS..THydrogen-bonded Turntrans-56.6-29.7-179.6-171-98.8000113.2K612 K614 L669 Y745F485-K612 HydrophobicContact CE1-CB 4.04Å; F485-K612 WeakPolarHBondContact CE1-O 3.42Å; F485-K612 HydrophobicContact CE2-CB 4.33Å; F485-K612 HydrophobicContact CZ-CB 3.82Å; F485-K612 VanDerWaalsContact O-CE 3.26Å; F485-K612 WeakPolarHBondContact O-CE 3.46Å; F485-K612 PolarHBondContact O-NZ 2.74Å; F485-K614 HydrophobicContact CE1-CB 4.5Å; F485-K614 HydrophobicContact CZ-CB 4.14Å; F485-L669 HydrophobicContact CD2-CD1 4.42Å; F485-L669 HydrophobicContact CE2-CB 4.02Å; F485-L669 HydrophobicContact CE2-CD1 3.7Å; F485-L669 HydrophobicContact CE2-CG 4.36Å; F485-L669 HydrophobicContact CZ-CB 4.48Å; F485-L669 HydrophobicContact CZ-CD1 4.36Å; F485-Y745 AromaticContact CD2-CD1 3.93Å; F485-Y745 HydrophobicContact CD2-CD1 3.93Å; F485-Y745 AromaticContact CD2-CE1 3.45Å; F485-Y745 HydrophobicContact CD2-CE1 3.45Å; F485-Y745 VanDerWaalsContact CD2-CE1 3.45Å; F485-Y745 AromaticContact CD2-CZ 3.92Å; F485-Y745 AromaticContact CE2-CD1 3.97Å; F485-Y745 HydrophobicContact CE2-CD1 3.97Å; F485-Y745 AromaticContact CE2-CE1 3.81Å; F485-Y745 HydrophobicContact CE2-CE1 3.81Å; F485-Y745 HydrophobicContact CG-CE1 4.5Å
486R91.3Very high91.2Very high212 Ų21278.8 Ų78.880%0.839%0.391SS*.THydrogen-bonded Turntrans-83.3-47.2-179.5-70.8-177.8175.9144.2-1.6112.8S484 K612S484-R486 PolarHBondContact O-N 2.99Å; S484-R486 VanDerWaalsContact O-N 3.08Å; S484-R486 PolarHBondContact OG-N 3.1Å; R486-K612 VanDerWaalsContact C-NZ 3.27Å; R486-K612 PolarHBondContact O-NZ 2.7Å
487S91.3Very high90.9Very high95 Ų9580.5 Ų80.566%0.66440%0.402SS*.THydrogen-bonded Turntrans-93.9-27.2-170.556.30000115.2S484S484-S487 VanDerWaalsContact CB-OG 3.22Å; S484-S487 WeakPolarHBondContact CB-OG 3.4Å; S484-S487 PolarHBondContact O-N 2.74Å; S484-S487 PolarHBondContact OG-N 2.82Å; S484-S487 PolarHBondContact OG-OG 2.85Å
488S92.2Very high90.8Very high20 Ų2080.3 Ų80.314%0.1440%0.404CS..SBendtrans-70.1126.9-176.5640000111.2S484 K612S484-S488 WeakPolarHBondContact O-CB 3.44Å; S484-S488 PolarHBondContact O-N 2.93Å; S484-S488 PolarHBondContact O-OG 2.79Å; S488-K612 WeakPolarHBondContact O-CE 3.43Å; S488-K612 PolarHBondContact O-NZ 2.81Å
489P93.4Very high90.7Very high123 Ų12372.1 Ų72.180%0.79938%0.376SS*.  trans-63.8152.4-179.227.5-34.5000111.5
490W93.3Very high90.5Very high23 Ų2372.5 Ų72.59%0.08738%0.378CS..  trans-141.2123.1168.7-170.1-66.9000107.7R480 L482 P492 K612 V667 L669 R747R480-W490 HydrophobicContact CG-CE3 4.48Å; R480-W490 HydrophobicContact CG-CH2 3.76Å; R480-W490 HydrophobicContact CG-CZ3 3.46Å; R480-W490 VanDerWaalsContact CG-CZ3 3.46Å; R480-W490 VanDerWaalsContact CZ-CH2 3.42Å; R480-W490 VanDerWaalsContact CZ-CZ2 3.42Å; L482-W490 HydrophobicContact CD1-CE3 4.09Å; L482-W490 HydrophobicContact CD1-CZ3 4.2Å; L482-W490 HydrophobicContact CD2-CE3 4.14Å; L482-W490 HydrophobicContact CD2-CZ3 4.26Å; L482-W490 HydrophobicContact CG-CZ3 4.48Å; W490-P492 WeakPolarHBondContact O-CD 3.26Å; W490-K612 HydrophobicContact CB-CD 4.02Å; W490-K612 HydrophobicContact CB-CG 4.13Å; W490-V667 HydrophobicContact CG-CG1 4.08Å; W490-L669 HydrophobicContact CD2-CD1 4.26Å; W490-L669 HydrophobicContact CD2-CD2 3.82Å; W490-L669 HydrophobicContact CE3-CD1 3.89Å; W490-L669 HydrophobicContact CE3-CD2 3.99Å; W490-L669 HydrophobicContact CG-CD2 4.46Å; W490-L669 HydrophobicContact CH2-CD2 3.89Å; W490-L669 HydrophobicContact CZ2-CD2 3.76Å; W490-L669 HydrophobicContact CZ3-CD1 4.2Å; W490-L669 HydrophobicContact CZ3-CD2 4.01Å; W490-R747 HydrophobicContact CZ2-CB 3.72Å
491D91.4Very high90.3Very high87 Ų8770.4 Ų70.447%0.46538%0.376SS..  trans-75.9122.5-177.4179.911.2000111.5M493 E494D491-M493 PolarHBondContact O-N 2.91Å; D491-M493 PolarHBondContact OD1-N 2.81Å; D491-E494 HydrophobicContact CB-CB 4.13Å; D491-E494 PolarHBondContact O-N 2.87Å
492P90.7Very high90.1Very high41 Ų4172.5 Ų72.527%0.26637%0.374SS..THydrogen-bonded Turntrans-66.1-12.8174.9-21.434.7000115.5W490 R665 V667 R747W490-P492 WeakPolarHBondContact O-CD 3.26Å; P492-R665 HydrophobicContact CB-CB 4.41Å; P492-V667 HydrophobicContact CB-CG2 4.08Å; P492-V667 HydrophobicContact CG-CG2 4.01Å; P492-R747 PolarHBondContact O-NH1 2.73Å; P492-R747 PolarHBondContact O-NH2 2.81Å
493M87.6Confident90.1Very high93 Ų9372 Ų7246%0.45837%0.372SS..THydrogen-bonded Turntrans-103.23.1178.1-58.4-51-157.700113.8D491 L496D491-M493 PolarHBondContact O-N 2.91Å; D491-M493 PolarHBondContact OD1-N 2.81Å; M493-L496 HydrophobicContact CB-CD1 4.49Å; M493-L496 HydrophobicContact SD-CD1 4.13Å
494E86.9Confident90.1Very high57 Ų5766.3 Ų66.327%0.26635%0.347SS..THydrogen-bonded Turntrans-79.1136.4178.3-160.7-161.5140.300111.9R480 D491 L496 R747 Y749R480-E494 IonicContact CZ-OE1 3.59Å; R480-E494 VanDerWaalsContact CZ-OE1 3.31Å; R480-E494 IonicContact CZ-OE2 3.91Å; R480-E494 IonicContact NH1-OE1 3.79Å; R480-E494 PolarHBondContact NH1-OE1 2.87Å; R480-E494 IonicContact NH1-OE2 2.91Å; R480-E494 PolarHBondContact NH1-OE2 2.92Å; R480-E494 IonicContact NH2-OE1 2.89Å; R480-E494 PolarHBondContact NH2-OE1 2.89Å; R480-E494 IonicContact NH2-OE2 3.07Å; R480-E494 PolarHBondContact NH2-OE2 3.16Å; D491-E494 HydrophobicContact CB-CB 4.13Å; D491-E494 PolarHBondContact O-N 2.87Å; E494-L496 PolarHBondContact O-N 3.48Å; E494-R747 PolarHBondContact O-NH1 3.5Å; E494-Y749 PolarHBondContact O-OH 3.47Å; E494-Y749 VanDerWaalsContact O-OH 3.13Å
495N84.7Confident90.1Very high97 Ų9768.2 Ų68.252%0.51935%0.351SS..THydrogen-bonded Turntrans53.147.5171.2-68.5-52.1000114.2Y749N495-Y749 PolarHBondContact O-OH 3.49Å
496L88.3Confident90Very high70 Ų7067.3 Ų67.337%0.36635%0.347SS..  trans-71.6139.2-178.9-66.6172.7000112M493 E494 Y500 Y749M493-L496 HydrophobicContact CB-CD1 4.49Å; M493-L496 HydrophobicContact SD-CD1 4.13Å; E494-L496 PolarHBondContact O-N 3.48Å; L496-Y500 HydrophobicContact CD2-CD1 3.65Å; L496-Y500 HydrophobicContact CD2-CE1 4.01Å; L496-Y500 HydrophobicContact CD2-CG 4.08Å; L496-Y749 HydrophobicContact CD2-CE1 4.04Å
497P89Confident89.9Confident39 Ų3965.7 Ų65.725%0.25335%0.348SS..  trans-68.4157.5170.3-16.530.3000111.7D499 Y500 Y749P497-D499 PolarHBondContact O-N 2.9Å; P497-D499 VanDerWaalsContact O-N 3.16Å; P497-Y500 HydrophobicContact CG-CD2 4.28Å; P497-Y500 WeakPolarHBondContact O-CB 3.16Å; P497-Y500 PolarHBondContact O-N 2.75Å; P497-Y749 HydrophobicContact CG-CD1 4.11Å; P497-Y749 HydrophobicContact CG-CD2 3.34Å; P497-Y749 HydrophobicContact CG-CE1 4.44Å; P497-Y749 HydrophobicContact CG-CE2 3.81Å; P497-Y749 HydrophobicContact CG-CG 3.49Å; P497-Y749 VanDerWaalsContact CG-CG 3.49Å
498L88Confident90Very high100 Ų10063.6 Ų63.652%0.52433%0.334SS..G310 helixtrans-54.7-34.1171.7-17468.7000112.4V320 Y500 S501V320-L498 HydrophobicContact CG1-CD1 4.32Å; L498-Y500 PolarHBondContact O-N 3.4Å; L498-Y500 VanDerWaalsContact O-N 3.08Å; L498-S501 PolarHBondContact O-N 3.45Å; L498-S501 VanDerWaalsContact O-N 3.08Å; L498-S501 PolarHBondContact O-OG 2.66Å
499D89.5Confident90Very high41 Ų4163.2 Ų63.222%0.21933%0.33CS..G310 helixtrans-59.4-23.1178-59.1-26.5000113.2P497 S501 R502 Y630 W752P497-D499 PolarHBondContact O-N 2.9Å; P497-D499 VanDerWaalsContact O-N 3.16Å; D499-S501 VanDerWaalsContact C-N 3.33Å; D499-S501 PolarHBondContact O-N 3.45Å; D499-R502 PolarHBondContact O-N 3.37Å; D499-Y630 HydrophobicContact CB-CE2 4.36Å; D499-W752 HydrophobicContact CB-CE3 4.19Å
500Y89.7Confident89.9Confident30 Ų3062.4 Ų62.412%0.11832%0.315CS..G310 helixtrans-75-17.1178.5-98.4-115.1000113.8L496 P497 L498 R502 I503 V568 Y630 P664 Y749L496-Y500 HydrophobicContact CD2-CD1 3.65Å; L496-Y500 HydrophobicContact CD2-CE1 4.01Å; L496-Y500 HydrophobicContact CD2-CG 4.08Å; P497-Y500 HydrophobicContact CG-CD2 4.28Å; P497-Y500 WeakPolarHBondContact O-CB 3.16Å; P497-Y500 PolarHBondContact O-N 2.75Å; L498-Y500 PolarHBondContact O-N 3.4Å; L498-Y500 VanDerWaalsContact O-N 3.08Å; Y500-R502 VanDerWaalsContact C-N 3.35Å; Y500-I503 HydrophobicContact CD1-CD1 3.82Å; Y500-I503 HydrophobicContact CD2-CD1 4.46Å; Y500-I503 HydrophobicContact CE1-CD1 4.14Å; Y500-I503 HydrophobicContact CG-CD1 4.02Å; Y500-I503 WeakPolarHBondContact O-CG1 3.29Å; Y500-V568 HydrophobicContact CE2-CG2 4.43Å; Y500-Y630 HydrophobicContact CD2-CE1 4.17Å; Y500-Y630 VanDerWaalsContact CD2-OH 3.26Å; Y500-Y630 WeakPolarHBondContact CD2-OH 3.14Å; Y500-Y630 AromaticContact CE2-CE1 3.92Å; Y500-Y630 HydrophobicContact CE2-CE1 3.92Å; Y500-Y630 AromaticContact CE2-CZ 3.96Å; Y500-Y630 WeakPolarHBondContact CE2-OH 3.25Å; Y500-P664 HydrophobicContact CD1-CB 4.31Å; Y500-P664 HydrophobicContact CE1-CB 3.69Å; Y500-P664 WeakPolarHBondContact CE1-O 3.33Å; Y500-P664 PolarHBondContact OH-O 3.28Å; Y500-Y749 HydrophobicContact CD2-CD1 4.06Å; Y500-Y749 HydrophobicContact CD2-CE1 4.41Å; Y500-Y749 HydrophobicContact CE1-CD1 4.46Å; Y500-Y749 HydrophobicContact CE1-CE1 4.31Å; Y500-Y749 AromaticContact CE2-CD1 3.24Å; Y500-Y749 HydrophobicContact CE2-CD1 3.24Å; Y500-Y749 AromaticContact CE2-CE1 3.81Å; Y500-Y749 HydrophobicContact CE2-CE1 3.81Å; Y500-Y749 HydrophobicContact CE2-CG 4.07Å; Y500-Y749 AromaticContact CZ-CD1 3.49Å; Y500-Y749 VanDerWaalsContact CZ-CD1 3.49Å; Y500-Y749 AromaticContact CZ-CE1 3.74Å; Y500-Y749 WeakPolarHBondContact OH-CD1 3.38Å
501S87.4Confident90Very high37 Ų3770 Ų7026%0.25934%0.344SS..THydrogen-bonded Turntrans-79.7-20.4172.663.80000112.5V320 L498 D499 I503V320-S501 WeakPolarHBondContact CG1-OG 3.31Å; L498-S501 PolarHBondContact O-N 3.45Å; L498-S501 VanDerWaalsContact O-N 3.08Å; L498-S501 PolarHBondContact O-OG 2.66Å; D499-S501 VanDerWaalsContact C-N 3.33Å; D499-S501 PolarHBondContact O-N 3.45Å; S501-I503 VanDerWaalsContact C-N 3.35Å
502R89.9Confident90.1Very high74 Ų7466.8 Ų66.828%0.27933%0.327SS..SBendtrans-78.9-16.1178.2-62.6176.5-170.7-172.32.5113.8A318 V320 D499 Y500 W752A318-R502 WeakPolarHBondContact CB-O 3.43Å; A318-R502 PolarHBondContact N-O 3.38Å; V320-R502 HydrophobicContact CG2-CB 4.36Å; V320-R502 HydrophobicContact CG2-CG 3.31Å; D499-R502 PolarHBondContact O-N 3.37Å; Y500-R502 VanDerWaalsContact C-N 3.35Å; R502-W752 HydrophobicContact CB-CH2 4.21Å; R502-W752 HydrophobicContact CB-CZ3 4.29Å
503I92.3Very high90.2Very high15 Ų1567.9 Ų67.98%0.07733%0.326CS..SBendtrans-95.2153.3-174.159169.3000112.2Y500 S501 V568 Y630 P664 W752Y500-I503 HydrophobicContact CD1-CD1 3.82Å; Y500-I503 HydrophobicContact CD2-CD1 4.46Å; Y500-I503 HydrophobicContact CE1-CD1 4.14Å; Y500-I503 HydrophobicContact CG-CD1 4.02Å; Y500-I503 WeakPolarHBondContact O-CG1 3.29Å; S501-I503 VanDerWaalsContact C-N 3.35Å; I503-V568 HydrophobicContact CD1-CG2 3.89Å; I503-Y630 HydrophobicContact CG2-CD1 4.08Å; I503-Y630 HydrophobicContact CG2-CE1 4.32Å; I503-P664 HydrophobicContact CD1-CB 3.63Å; I503-P664 HydrophobicContact CD1-CG 4.27Å; I503-W752 HydrophobicContact CG2-CH2 4.4Å; I503-W752 HydrophobicContact CG2-CZ3 3.8Å
504F92.1Very high90.4Very high48 Ų4871 Ų7121%0.21133%0.333CS..  trans-89.9136.5171.8-66.8-89.3000111.1A318 K565 M566 S567A318-F504 HydrophobicContact CB-CD1 4.44Å; A318-F504 HydrophobicContact CB-CD2 4.33Å; A318-F504 HydrophobicContact CB-CE1 4.05Å; A318-F504 HydrophobicContact CB-CE2 3.94Å; A318-F504 HydrophobicContact CB-CZ 3.79Å; F504-K565 HydrophobicContact CB-CB 4.26Å; F504-K565 HydrophobicContact CB-CD 4.34Å; F504-K565 HydrophobicContact CD1-CD 3.79Å; F504-K565 HydrophobicContact CD2-CB 3.46Å; F504-K565 VanDerWaalsContact CD2-CB 3.46Å; F504-K565 HydrophobicContact CD2-CD 3.83Å; F504-K565 HydrophobicContact CD2-CG 3.69Å; F504-K565 HydrophobicContact CE1-CD 3.95Å; F504-K565 HydrophobicContact CE2-CB 3.92Å; F504-K565 HydrophobicContact CE2-CD 3.96Å; F504-K565 HydrophobicContact CE2-CG 3.69Å; F504-K565 HydrophobicContact CG-CB 3.95Å; F504-K565 HydrophobicContact CG-CD 3.71Å; F504-K565 HydrophobicContact CG-CG 4.1Å; F504-K565 HydrophobicContact CZ-CD 4.02Å; F504-K565 HydrophobicContact CZ-CG 4.14Å; F504-M566 PolarHBondContact N-O 3.48Å; F504-S567 WeakPolarHBondContact O-CB 3.21Å; F504-S567 PolarHBondContact O-OG 3.49Å
505Q90.8Very high90.8Very high84 Ų8474.6 Ų74.639%0.39334%0.344SS..  trans-112.2136.8175.1-178.3174.552.800110.8P664 R665Q505-P664 HydrophobicContact CB-CG 4.03Å; Q505-P664 HydrophobicContact CG-CG 3.81Å; Q505-R665 VanDerWaalsContact NE2-CG 3.33Å
506F90.4Very high91.1Very high27 Ų2770.1 Ų70.112%0.11832%0.32CS..  trans-86.2141.7168.5-66.4-76.8000111F509 T512 I633 F635F506-F509 HydrophobicContact CB-CB 4.48Å; F506-F509 AromaticContact CD2-CD2 3.8Å; F506-F509 HydrophobicContact CD2-CD2 3.8Å; F506-F509 HydrophobicContact CE2-CD2 4.01Å; F506-F509 HydrophobicContact CE2-CE2 4.35Å; F506-F509 HydrophobicContact CG-CD2 4.42Å; F506-T512 HydrophobicContact CD1-CG2 3.95Å; F506-T512 HydrophobicContact CE1-CG2 3.86Å; F506-I633 HydrophobicContact CE2-CD1 3.5Å; F506-I633 HydrophobicContact CE2-CG1 4.09Å; F506-I633 HydrophobicContact CE2-CG2 3.91Å; F506-I633 HydrophobicContact CZ-CD1 3.74Å; F506-I633 HydrophobicContact CZ-CG2 4.07Å; F506-F635 HydrophobicContact CZ-CE1 4.42Å; F506-F635 HydrophobicContact CZ-CZ 4.33Å
507Q89.8Confident91.2Very high179 Ų17968.3 Ų68.384%0.83631%0.31SS*.SBendtrans-63.1-48167.7-170.4-173.735.900110.8
508S92.2Very high91.3Very high51 Ų5169.2 Ų69.236%0.35732%0.321SS..  trans-143.6113.7171.8177.40000109.7T512S508-T512 WeakPolarHBondContact O-CB 3.19Å; S508-T512 PolarHBondContact O-N 3.24Å; S508-T512 PolarHBondContact O-OG1 3.48Å
509F92.2Very high91.3Very high12 Ų1268.7 Ų68.75%0.05332%0.316CS..Hα-helixtrans-64.8-48.3-177.8177.8-110.1000112.4F506 R511 T512 R513 F635 P636 C662 D663F506-F509 HydrophobicContact CB-CB 4.48Å; F506-F509 AromaticContact CD2-CD2 3.8Å; F506-F509 HydrophobicContact CD2-CD2 3.8Å; F506-F509 HydrophobicContact CE2-CD2 4.01Å; F506-F509 HydrophobicContact CE2-CE2 4.35Å; F506-F509 HydrophobicContact CG-CD2 4.42Å; F509-R511 PolarHBondContact O-N 3.46Å; F509-T512 PolarHBondContact O-N 3.23Å; F509-R513 WeakPolarHBondContact O-CB 3.46Å; F509-R513 PolarHBondContact O-N 3.34Å; F509-F635 AromaticContact CE2-CD1 3.97Å; F509-F635 HydrophobicContact CE2-CD1 3.97Å; F509-F635 HydrophobicContact CE2-CE1 4.02Å; F509-F635 HydrophobicContact CZ-CD1 4.23Å; F509-P636 HydrophobicContact CE1-CG 4.09Å; F509-P636 HydrophobicContact CZ-CG 4.08Å; F509-C662 HydrophobicContact CD2-CB 4.31Å; F509-C662 HydrophobicContact CE2-CB 3.82Å; F509-C662 HydrophobicContact CZ-CB 4.2Å; F509-D663 WeakPolarHBondContact CB-OD1 3.12Å
510E92.3Very high91.1Very high106 Ų10667 Ų6750%0.49531%0.308SS..Hα-helixtrans-64.4-41-176.3-65.5-161.4161.300113.7R513 R514E510-R513 PolarHBondContact O-N 3.24Å; E510-R514 WeakPolarHBondContact O-CG 3.44Å; E510-R514 PolarHBondContact O-N 2.77Å; E510-R514 IonicContact OE2-CZ 2.92Å; E510-R514 IonicContact OE2-NH1 3.12Å; E510-R514 IonicContact OE2-NH2 2.69Å; E510-R514 PolarHBondContact OE2-NH2 2.89Å
511R94.1Very high90.8Very high183 Ų18367.7 Ų67.769%0.69132%0.32SS*.Hα-helixtrans-64.8-45.7179.1-178.1180-83.6168.4-5.6110.3F509 R514 R515F509-R511 PolarHBondContact O-N 3.46Å; R511-R514 PolarHBondContact O-N 3.03Å; R511-R515 WeakPolarHBondContact O-CB 3.4Å; R511-R515 PolarHBondContact O-N 3.19Å
512T93.8Very high90.6Very high19 Ų1969.4 Ų69.412%0.11734%0.337CS..Hα-helixtrans-61.5-46.1177.9-540000111F506 S508 F509 R514 R515 I516F506-T512 HydrophobicContact CD1-CG2 3.95Å; F506-T512 HydrophobicContact CE1-CG2 3.86Å; S508-T512 WeakPolarHBondContact O-CB 3.19Å; S508-T512 PolarHBondContact O-N 3.24Å; S508-T512 PolarHBondContact O-OG1 3.48Å; F509-T512 PolarHBondContact O-N 3.23Å; T512-R514 PolarHBondContact O-N 3.22Å; T512-R515 PolarHBondContact O-N 2.86Å; T512-I516 HydrophobicContact CG2-CD1 3.68Å; T512-I516 HydrophobicContact CG2-CG1 4.41Å; T512-I516 WeakPolarHBondContact O-CG1 3.31Å; T512-I516 PolarHBondContact O-N 3.08Å
513R92.5Very high90Very high63 Ų6368.7 Ų68.724%0.23834%0.338CS..Hα-helixtrans-57.4-48.5175.1175.8-173.9171.3-145.2-2.6112.5F509 E510 R515 L517 F635 P636F509-R513 WeakPolarHBondContact O-CB 3.46Å; F509-R513 PolarHBondContact O-N 3.34Å; E510-R513 PolarHBondContact O-N 3.24Å; R513-R515 VanDerWaalsContact C-N 3.33Å; R513-R515 PolarHBondContact O-N 2.78Å; R513-L517 HydrophobicContact CG-CD1 3.86Å; R513-L517 WeakPolarHBondContact O-CB 3.39Å; R513-L517 VanDerWaalsContact O-CG 3.22Å; R513-L517 WeakPolarHBondContact O-CG 3.43Å; R513-L517 PolarHBondContact O-N 3.16Å; R513-L517 VanDerWaalsContact O-N 3.09Å; R513-F635 HydrophobicContact CB-CD1 3.94Å; R513-F635 HydrophobicContact CB-CE1 4.31Å; R513-F635 HydrophobicContact CG-CD1 4.03Å; R513-P636 PolarHBondContact NE-O 2.81Å; R513-P636 PolarHBondContact NH2-O 3.48Å
514R93.3Very high88.8Confident160 Ų16075.4 Ų75.460%0.60437%0.369SS*.Hα-helixtrans-63.1-40.4-179.9-72.9-178.6-164.5121.712.7111.5E510 R511 T512 A518E510-R514 WeakPolarHBondContact O-CG 3.44Å; E510-R514 PolarHBondContact O-N 2.77Å; E510-R514 IonicContact OE2-CZ 2.92Å; E510-R514 IonicContact OE2-NH1 3.12Å; E510-R514 IonicContact OE2-NH2 2.69Å; E510-R514 PolarHBondContact OE2-NH2 2.89Å; R511-R514 PolarHBondContact O-N 3.03Å; T512-R514 PolarHBondContact O-N 3.22Å; R514-A518 WeakPolarHBondContact O-CB 3.34Å; R514-A518 PolarHBondContact O-N 3.36Å; R514-A518 VanDerWaalsContact O-N 3.08Å
515R94.1Very high87.9Confident132 Ų13279.3 Ų79.350%0.49839%0.392SS..Hα-helixtrans-61.8-55.6176.8-178.4-177.468.2-157.3-0.5111.5R511 T512 R513 L517 A518 E519R511-R515 WeakPolarHBondContact O-CB 3.4Å; R511-R515 PolarHBondContact O-N 3.19Å; T512-R515 PolarHBondContact O-N 2.86Å; R513-R515 VanDerWaalsContact C-N 3.33Å; R513-R515 PolarHBondContact O-N 2.78Å; R515-L517 VanDerWaalsContact C-N 3.28Å; R515-L517 PolarHBondContact O-N 2.94Å; R515-A518 WeakPolarHBondContact O-CB 3.37Å; R515-A518 PolarHBondContact O-N 2.71Å; R515-E519 WeakPolarHBondContact CD-OE1 3.49Å; R515-E519 HydrophobicContact CG-CG 4.43Å; R515-E519 WeakPolarHBondContact CG-OE1 3.44Å; R515-E519 IonicContact NE-OE1 3.09Å; R515-E519 WeakPolarHBondContact O-CG 3.44Å; R515-E519 PolarHBondContact O-N 2.86Å
516I92.1Very high87.5Confident3 Ų375.9 Ų75.92%0.01538%0.38CS..Hα-helixtrans-58.8-41-178-68.7168.3000111.4T512 A518 E519 A520 L560 P561 F635T512-I516 HydrophobicContact CG2-CD1 3.68Å; T512-I516 HydrophobicContact CG2-CG1 4.41Å; T512-I516 WeakPolarHBondContact O-CG1 3.31Å; T512-I516 PolarHBondContact O-N 3.08Å; I516-A518 VanDerWaalsContact C-N 3.33Å; I516-A518 PolarHBondContact O-N 3.21Å; I516-E519 PolarHBondContact O-N 3.18Å; I516-A520 VanDerWaalsContact O-CB 3.31Å; I516-A520 WeakPolarHBondContact O-CB 3.42Å; I516-A520 PolarHBondContact O-N 3.27Å; I516-L560 HydrophobicContact CG2-CB 4.13Å; I516-L560 HydrophobicContact CG2-CD2 4.35Å; I516-P561 HydrophobicContact CD1-CB 4.43Å; I516-P561 HydrophobicContact CG2-CG 4.23Å; I516-F635 HydrophobicContact CD1-CE1 4.26Å; I516-F635 HydrophobicContact CD1-CE2 3.92Å; I516-F635 HydrophobicContact CD1-CZ 3.5Å
517L89.9Confident87.3Confident31 Ų3174.7 Ų74.716%0.16238%0.375CS..Hα-helixtrans-71.2-27.3178.3-70.1174.3000113.5R202 R513 R515 A521 L560R202-L517 HydrophobicContact CB-CD2 4.12Å; R202-L517 HydrophobicContact CG-CD2 4.25Å; R513-L517 HydrophobicContact CG-CD1 3.86Å; R513-L517 WeakPolarHBondContact O-CB 3.39Å; R513-L517 VanDerWaalsContact O-CG 3.22Å; R513-L517 WeakPolarHBondContact O-CG 3.43Å; R513-L517 PolarHBondContact O-N 3.16Å; R513-L517 VanDerWaalsContact O-N 3.09Å; R515-L517 VanDerWaalsContact C-N 3.28Å; R515-L517 PolarHBondContact O-N 2.94Å; L517-A521 VanDerWaalsContact O-CB 3.25Å; L517-A521 WeakPolarHBondContact O-CB 3.4Å; L517-A521 PolarHBondContact O-N 2.95Å; L517-L560 HydrophobicContact CD2-CD1 4Å
518A91.2Very high87.2Confident59 Ų5969.3 Ų69.349%0.48835%0.35SS..Hα-helixtrans-76.1-42.7174.600000110.8R514 R515 I516 A521 A522R514-A518 WeakPolarHBondContact O-CB 3.34Å; R514-A518 PolarHBondContact O-N 3.36Å; R514-A518 VanDerWaalsContact O-N 3.08Å; R515-A518 WeakPolarHBondContact O-CB 3.37Å; R515-A518 PolarHBondContact O-N 2.71Å; I516-A518 VanDerWaalsContact C-N 3.33Å; I516-A518 PolarHBondContact O-N 3.21Å; A518-A521 PolarHBondContact O-N 3.14Å; A518-A521 VanDerWaalsContact O-N 3.16Å; A518-A522 WeakPolarHBondContact O-CB 3.3Å; A518-A522 PolarHBondContact O-N 2.94Å
519E88.3Confident87Confident88 Ų8868.8 Ų68.841%0.41134%0.343SS..Hα-helixtrans-57.6-56.6172.9-71.4165.6179.700110R515 I516 A521 A522 D523R515-E519 WeakPolarHBondContact CD-OE1 3.49Å; R515-E519 HydrophobicContact CG-CG 4.43Å; R515-E519 WeakPolarHBondContact CG-OE1 3.44Å; R515-E519 IonicContact NE-OE1 3.09Å; R515-E519 WeakPolarHBondContact O-CG 3.44Å; R515-E519 PolarHBondContact O-N 2.86Å; I516-E519 PolarHBondContact O-N 3.18Å; E519-A521 PolarHBondContact O-N 3.3Å; E519-A522 PolarHBondContact O-N 2.88Å; E519-D523 PolarHBondContact O-N 3.42Å
520A84.3Confident86.7Confident6 Ų668.5 Ų68.55%0.0534%0.344CS..Hα-helixtrans-61-15.9177.300000114.6I516 D523 L560I516-A520 VanDerWaalsContact O-CB 3.31Å; I516-A520 WeakPolarHBondContact O-CB 3.42Å; I516-A520 PolarHBondContact O-N 3.27Å; A520-D523 WeakPolarHBondContact CA-OD2 3.43Å; A520-L560 HydrophobicContact CB-CD2 4.01Å
521A83.9Confident86.6Confident45 Ų4568.4 Ų68.437%0.37234%0.339SS..Hα-helixtrans-91.5-24.9174.700000113.6R242 L517 A518 E519R242-A521 PolarHBondContact NH1-O 2.77Å; L517-A521 VanDerWaalsContact O-CB 3.25Å; L517-A521 WeakPolarHBondContact O-CB 3.4Å; L517-A521 PolarHBondContact O-N 2.95Å; A518-A521 PolarHBondContact O-N 3.14Å; A518-A521 VanDerWaalsContact O-N 3.16Å; E519-A521 PolarHBondContact O-N 3.3Å
522A84.1Confident86.4Confident73 Ų7360.4 Ų60.460%0.60331%0.309SS*.Hα-helixtrans-91.3-22.8177.800000112.5A518 E519 E524A518-A522 WeakPolarHBondContact O-CB 3.3Å; A518-A522 PolarHBondContact O-N 2.94Å; E519-A522 PolarHBondContact O-N 2.88Å; A522-E524 PolarHBondContact O-N 3.11Å
523D75.8Confident86.4Confident58 Ų5859.5 Ų59.531%0.3130%0.303SS..  trans-62.9107.4176.1-61.5-26000110.6R248 E519 A520R248-D523 IonicContact CZ-OD2 2.8Å; R248-D523 IonicContact NH2-OD2 3.25Å; R248-D523 PolarHBondContact NH2-OD2 3.24Å; E519-D523 PolarHBondContact O-N 3.42Å; A520-D523 WeakPolarHBondContact CA-OD2 3.43Å
524E67.7Low86.4Confident156 Ų15657.2 Ų57.273%0.72930%0.297SS*.  trans-101.9-5.9170.9-64.5-170.5162.600112.1A522 G526A522-E524 PolarHBondContact O-N 3.11Å; E524-G526 PolarHBondContact O-N 3.49Å
525D73.6Confident86.4Confident131 Ų13149.7 Ų49.770%0.70127%0.268SS*.SBendtrans-83.771.8-174.4-68.4-28.8000112.4H245H245-D525 PolarHBondContact CE1-O 3.46Å; H245-D525 PolarHBondContact ND1-O 3.35Å
526G82.3Confident86.4Confident12 Ų1244.4 Ų44.412%0.12425%0.249CC..SBendtrans-170.3-172.7-179.500000115L244 E524 M528L244-G526 WeakPolarHBondContact O-CA 3.42Å; E524-G526 PolarHBondContact O-N 3.49Å; G526-M528 PolarHBondContact O-N 3.19Å
527A86.7Confident86.4Confident2 Ų244.2 Ų44.22%0.01725%0.248CC..BIsolated β-bridgetrans-71.5114.116900000109.3V239 A243 L244 I263 L303 W531 V533V239-A527 HydrophobicContact CG2-CB 4.35Å; A243-A527 CarbonylContact C-O 3.47Å; A243-A527 VanDerWaalsContact CA-O 3.29Å; A243-A527 WeakPolarHBondContact CA-O 3.49Å; L244-A527 HydrophobicContact CB-CB 4.3Å; L244-A527 PolarHBondContact N-O 2.92Å; L244-A527 PolarHBondContact O-N 2.78Å; I263-A527 HydrophobicContact CG2-CB 4.41Å; L303-A527 HydrophobicContact CD1-CB 4.02Å; A527-W531 HydrophobicContact CB-CE3 4.41Å; A527-V533 HydrophobicContact CB-CG1 3.96Å
528M87.4Confident86.4Confident65 Ų6544.2 Ų44.232%0.3225%0.248SC..  trans-75.1166.7-172.9-64.6-61.3-73.200113.1A243 G526 G530 W531A243-M528 HydrophobicContact CB-SD 4.04Å; G526-M528 PolarHBondContact O-N 3.19Å; M528-G530 PolarHBondContact O-N 3.41Å; M528-W531 PolarHBondContact O-N 3.07Å
529D87.1Confident86.3Confident40 Ų4045.3 Ų45.321%0.21425%0.246CC..THydrogen-bonded Turntrans-61.2129.5175.757.7-28.5000111.4R24R24-D529 IonicContact NH1-OD2 3.94Å; R24-D529 PolarHBondContact NH1-OD2 3.42Å
530G86.9Confident86.3Confident6 Ų641.1 Ų41.16%0.06223%0.226CC..THydrogen-bonded Turntrans96.4-10179.600000116V239 M528V239-G530 PolarHBondContact O-N 2.9Å; M528-G530 PolarHBondContact O-N 3.41Å
531W89.3Confident86.4Confident105 Ų10542.7 Ų42.740%0.39824%0.236SC..  trans-73.5138.2175.7-71.118.5000110.8Y238 V239 L303 A527 M528 V533Y238-W531 WeakPolarHBondContact CA-O 3.09Å; V239-W531 PolarHBondContact N-O 3.01Å; L303-W531 HydrophobicContact CD1-CE3 3.65Å; L303-W531 HydrophobicContact CD1-CZ3 3.77Å; L303-W531 HydrophobicContact CD2-CE3 4.3Å; L303-W531 HydrophobicContact CD2-CZ3 3.72Å; L303-W531 HydrophobicContact CG-CZ3 4.4Å; A527-W531 HydrophobicContact CB-CE3 4.41Å; M528-W531 PolarHBondContact O-N 3.07Å; W531-V533 HydrophobicContact CB-CG1 4.14Å
532Y91.4Very high86.6Confident15 Ų1543.2 Ų43.26%0.05923%0.234CC..EExtended strand (participates in β ladder)trans-84.7116.1170-169.5-111.4000108.3E209 S236 Y238 P266 P269E209-Y532 WeakPolarHBondContact OE2-CE2 3.47Å; S236-Y532 WeakPolarHBondContact CB-OH 3.37Å; Y238-Y532 AromaticContact CD1-CD2 3.99Å; Y238-Y532 HydrophobicContact CD1-CD2 3.99Å; Y238-Y532 HydrophobicContact CD2-CD2 4.02Å; Y238-Y532 HydrophobicContact CD2-CE2 4.47Å; Y238-Y532 AromaticContact CE1-CD2 3.81Å; Y238-Y532 HydrophobicContact CE1-CD2 3.81Å; Y238-Y532 HydrophobicContact CE1-CG 4.22Å; Y238-Y532 AromaticContact CE2-CD2 3.84Å; Y238-Y532 HydrophobicContact CE2-CD2 3.84Å; Y238-Y532 HydrophobicContact CE2-CE2 4.19Å; Y238-Y532 HydrophobicContact CG-CD2 4.1Å; Y238-Y532 AromaticContact CZ-CD2 3.74Å; P266-Y532 HydrophobicContact CB-CD1 4.44Å; P266-Y532 HydrophobicContact CB-CE1 4.47Å; P266-Y532 HydrophobicContact CG-CD1 3.62Å; P266-Y532 HydrophobicContact CG-CE1 3.7Å; P269-Y532 HydrophobicContact CG-CD2 4.33Å; P269-Y532 HydrophobicContact CG-CE1 4.19Å; P269-Y532 HydrophobicContact CG-CE2 3.92Å
533V92.7Very high86.6Confident0 Ų042.4 Ų42.40%022%0.224CC..EExtended strand (participates in β ladder)trans-126.8151.7-173.3-58.90000111.3L206 S236 G237 V239 I263 D264 L303 A527 W531 L535L206-V533 HydrophobicContact CD1-CG2 3.65Å; S236-V533 CarbonylContact C-O 3.56Å; S236-V533 WeakPolarHBondContact CA-O 3.12Å; G237-V533 PolarHBondContact N-O 2.64Å; G237-V533 PolarHBondContact O-N 2.78Å; V239-V533 HydrophobicContact CG2-CB 4.32Å; V239-V533 HydrophobicContact CG2-CG1 3.89Å; V239-V533 HydrophobicContact CG2-CG2 3.43Å; V239-V533 VanDerWaalsContact CG2-CG2 3.43Å; I263-V533 HydrophobicContact CG2-CB 4.11Å; I263-V533 HydrophobicContact CG2-CG1 4.26Å; D264-V533 CarbonylContact O-C 3.44Å; D264-V533 WeakPolarHBondContact O-CA 3.37Å; D264-V533 WeakPolarHBondContact O-CB 3.44Å; L303-V533 HydrophobicContact CD1-CG1 4.13Å; A527-V533 HydrophobicContact CB-CG1 3.96Å; W531-V533 HydrophobicContact CB-CG1 4.14Å; V533-L535 HydrophobicContact CG2-CD2 4Å; V533-L535 HydrophobicContact CG2-CG 4.34Å
534T93.5Very high87Confident15 Ų1539.7 Ų39.79%0.09221%0.21CC..EExtended strand (participates in β ladder)trans-111121.7167.2-58.50000109.4R234 V235 S236 D264 P266R234-T534 HydrophobicContact CB-CG2 4.19Å; V235-T534 CarbonylContact O-C 3.47Å; V235-T534 WeakPolarHBondContact O-CA 3.3Å; S236-T534 PolarHBondContact OG-OG1 3.19Å; D264-T534 PolarHBondContact N-O 2.9Å; D264-T534 PolarHBondContact O-N 2.83Å; P266-T534 WeakPolarHBondContact CG-OG1 3.4Å
535L93.3Very high87.8Confident2 Ų233.7 Ų33.71%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-98.3130179.2-55.3-177.5000109.9L206 L233 R234 V235 L244 L260 I263 V533 L556L206-L535 HydrophobicContact CD1-CD1 4.32Å; L233-L535 VanDerWaalsContact O-O 3.12Å; R234-L535 CarbonylContact C-O 3.57Å; R234-L535 VanDerWaalsContact CA-O 3.28Å; R234-L535 WeakPolarHBondContact CA-O 3.26Å; V235-L535 PolarHBondContact N-O 3.32Å; V235-L535 PolarHBondContact O-N 2.85Å; L244-L535 HydrophobicContact CD2-CD1 3.93Å; L244-L535 HydrophobicContact CD2-CD2 3.44Å; L244-L535 VanDerWaalsContact CD2-CD2 3.44Å; L244-L535 HydrophobicContact CD2-CG 4.31Å; L260-L535 HydrophobicContact CD2-CB 3.89Å; L260-L535 HydrophobicContact CD2-CD1 4.44Å; L260-L535 HydrophobicContact CD2-CD2 4.47Å; L260-L535 HydrophobicContact CD2-CG 4.49Å; I263-L535 HydrophobicContact CB-CD2 4.26Å; I263-L535 HydrophobicContact CD1-CD2 4.14Å; I263-L535 HydrophobicContact CG1-CD2 3.74Å; I263-L535 HydrophobicContact CG2-CD2 3.9Å; V533-L535 HydrophobicContact CG2-CD2 4Å; V533-L535 HydrophobicContact CG2-CG 4.34Å; L535-L556 HydrophobicContact CD1-CD1 4.36Å
536H92.7Very high88.4Confident20 Ų2033.1 Ų33.19%0.09318%0.175CC..EExtended strand (participates in β ladder)trans-101.3104.6171.6-60.4-106.4000108.9T232 L233 R234 S261 Q262 D264T232-H536 HydrophobicContact CG2-CB 4.23Å; L233-H536 WeakPolarHBondContact O-CA 3.18Å; R234-H536 PolarHBondContact NE-CE1 3.25Å; R234-H536 VanDerWaalsContact NE-CE1 3.33Å; R234-H536 PolarHBondContact NE-ND1 3.04Å; S261-H536 PolarHBondContact N-O 2.89Å; Q262-H536 HydrophobicContact CB-CB 4.29Å; Q262-H536 PolarHBondContact O-N 3.29Å; D264-H536 IonicContact OD2-CD2 3.56Å; D264-H536 IonicContact OD2-CE1 3.71Å; D264-H536 IonicContact OD2-NE2 2.71Å; D264-H536 PolarHBondContact OD2-NE2 2.79Å
537I92.3Very high88.5Confident0 Ų033.4 Ų33.40%018%0.175CC..EExtended strand (participates in β ladder)trans-99.5130.9-178.8-53168000108.3T232 L233 V235 I252 F258 L260 V540 L556T232-I537 CarbonylContact C-O 3.54Å; T232-I537 VanDerWaalsContact CA-O 3.29Å; T232-I537 WeakPolarHBondContact CA-O 3.47Å; T232-I537 WeakPolarHBondContact CG2-O 3.35Å; L233-I537 HydrophobicContact CB-CB 4.38Å; L233-I537 HydrophobicContact CD2-CD1 4.46Å; L233-I537 PolarHBondContact N-O 3.03Å; L233-I537 PolarHBondContact O-N 3.38Å; V235-I537 HydrophobicContact CG2-CD1 4.31Å; I252-I537 HydrophobicContact CD1-CD1 4.31Å; F258-I537 HydrophobicContact CB-CG2 3.4Å; F258-I537 HydrophobicContact CG-CG2 4.12Å; L260-I537 HydrophobicContact CD2-CG1 3.75Å; I537-V540 HydrophobicContact CB-CG2 3.92Å; I537-V540 HydrophobicContact CG2-CG2 3.45Å; I537-V540 VanDerWaalsContact CG2-CG2 3.45Å; I537-L556 HydrophobicContact CD1-CD1 4.48Å; I537-L556 HydrophobicContact CD1-CD2 3.56Å
538I91.1Very high88.3Confident31 Ų3133.6 Ų33.616%0.15918%0.176CC..EExtended strand (participates in β ladder)trans-92156.7-178.262.5163.8000112Q259 V540Q259-I538 HydrophobicContact CB-CD1 4.08Å; Q259-I538 HydrophobicContact CB-CG1 3.95Å; Q259-I538 WeakPolarHBondContact O-CG1 3.42Å; Q259-I538 PolarHBondContact O-N 3.39Å; Q259-I538 VanDerWaalsContact O-N 3.07Å; I538-V540 VanDerWaalsContact C-N 3.32Å; I538-V540 PolarHBondContact O-N 2.61Å
539D87.5Confident88.1Confident81 Ų8137.5 Ų37.543%0.43319%0.194SC..EExtended strand (participates in β ladder)trans54.941.3171.6-54.5-35.9000114.4G231G231-D539 PolarHBondContact O-N 2.88Å
540V88Confident87.9Confident0 Ų039.4 Ų39.40%021%0.21CC..EExtended strand (participates in β ladder)trans-91.4134.3178.7-176.20000110.1G231 L233 I252 F258 I537 I538 V544G231-V540 PolarHBondContact N-O 3.23Å; G231-V540 PolarHBondContact O-N 3.41Å; L233-V540 HydrophobicContact CB-CB 4.11Å; L233-V540 HydrophobicContact CB-CG1 4.26Å; L233-V540 HydrophobicContact CB-CG2 3.92Å; L233-V540 HydrophobicContact CD2-CG1 4.25Å; I252-V540 HydrophobicContact CD1-CG1 4.43Å; F258-V540 HydrophobicContact CD1-CG2 4.02Å; F258-V540 HydrophobicContact CE1-CG2 4.38Å; F258-V540 HydrophobicContact CG-CG2 4.29Å; I537-V540 HydrophobicContact CB-CG2 3.92Å; I537-V540 HydrophobicContact CG2-CG2 3.45Å; I537-V540 VanDerWaalsContact CG2-CG2 3.45Å; I538-V540 VanDerWaalsContact C-N 3.32Å; I538-V540 PolarHBondContact O-N 2.61Å; V540-V544 HydrophobicContact CG1-CB 3.87Å; V540-V544 HydrophobicContact CG1-CG1 4.34Å; V540-V544 HydrophobicContact CG1-CG2 3.46Å; V540-V544 VanDerWaalsContact CG1-CG2 3.46Å
541P88.3Confident87.4Confident39 Ų3940.4 Ų40.425%0.25322%0.221SC..EExtended strand (participates in β ladder)trans-73.7151.4176.228.7-33.1000112.7L230 S543 V544L230-P541 HydrophobicContact CD2-CB 4.25Å; P541-S543 PolarHBondContact O-N 2.92Å; P541-V544 HydrophobicContact CG-CG2 4.01Å; P541-V544 WeakPolarHBondContact O-CG2 3.07Å; P541-V544 PolarHBondContact O-N 2.88Å
542V86.1Confident87.1Confident56 Ų5638.2 Ų38.234%0.33921%0.214SC..Hα-helixtrans-59.3-26.9177.5174.40000113F213 G229 V544 M545 E546F213-V542 HydrophobicContact CE1-CG2 3.66Å; F213-V542 HydrophobicContact CZ-CG2 3.66Å; G229-V542 WeakPolarHBondContact O-CG2 3.4Å; G229-V542 PolarHBondContact O-N 2.8Å; V542-V544 PolarHBondContact O-N 2.84Å; V542-V544 VanDerWaalsContact O-N 3.09Å; V542-M545 WeakPolarHBondContact O-CA 3.47Å; V542-M545 WeakPolarHBondContact O-CB 3.38Å; V542-M545 PolarHBondContact O-N 3.43Å; V542-E546 HydrophobicContact CG1-CG 4.37Å; V542-E546 PolarHBondContact O-N 3.44Å; V542-E546 VanDerWaalsContact O-N 3.11Å
543S84.9Confident86.9Confident56 Ų5637.9 Ų37.939%0.39221%0.214SC..Hα-helixtrans-55.5-28.4176.857.80000113.4P541 E546 S547P541-S543 PolarHBondContact O-N 2.92Å; S543-E546 PolarHBondContact O-N 3.5Å; S543-S547 PolarHBondContact O-N 3.27Å
544V84.9Confident86.8Confident1 Ų138.2 Ų38.21%0.00622%0.215CC..Hα-helixtrans-63.7-44.1173.7-174.30000110.5L233 I252 H255 V540 P541 V542 S547 V548 L554L233-V544 HydrophobicContact CD2-CG1 4.19Å; I252-V544 HydrophobicContact CD1-CG1 4.43Å; H255-V544 HydrophobicContact CB-CG2 3.93Å; V540-V544 HydrophobicContact CG1-CB 3.87Å; V540-V544 HydrophobicContact CG1-CG1 4.34Å; V540-V544 HydrophobicContact CG1-CG2 3.46Å; V540-V544 VanDerWaalsContact CG1-CG2 3.46Å; P541-V544 HydrophobicContact CG-CG2 4.01Å; P541-V544 WeakPolarHBondContact O-CG2 3.07Å; P541-V544 PolarHBondContact O-N 2.88Å; V542-V544 PolarHBondContact O-N 2.84Å; V542-V544 VanDerWaalsContact O-N 3.09Å; V544-S547 PolarHBondContact O-N 3.24Å; V544-S547 PolarHBondContact O-OG 2.95Å; V544-V548 PolarHBondContact O-N 2.92Å; V544-L554 HydrophobicContact CG1-CD1 3.36Å
545M84.9Confident86.7Confident31 Ų3137.5 Ų37.515%0.15321%0.211CC..Hα-helixtrans-69-39.6179-170.260-120.800111.6V211 F213 V542 S547 V548 Q549V211-M545 HydrophobicContact CB-SD 4.47Å; V211-M545 HydrophobicContact CG1-SD 3.79Å; F213-M545 HydrophobicContact CB-CB 4.5Å; F213-M545 HydrophobicContact CB-CG 4.33Å; V542-M545 WeakPolarHBondContact O-CA 3.47Å; V542-M545 WeakPolarHBondContact O-CB 3.38Å; V542-M545 PolarHBondContact O-N 3.43Å; M545-S547 VanDerWaalsContact C-N 3.27Å; M545-S547 PolarHBondContact O-N 2.59Å; M545-V548 HydrophobicContact CE-CB 3.79Å; M545-V548 HydrophobicContact CE-CG1 3.76Å; M545-V548 PolarHBondContact O-N 3.3Å; M545-V548 VanDerWaalsContact O-N 3.13Å; M545-Q549 HydrophobicContact CE-CG 3.64Å; M545-Q549 WeakPolarHBondContact O-CG 3.4Å; M545-Q549 PolarHBondContact O-N 3.39Å
546E85.6Confident86.6Confident118 Ų11837.6 Ų37.655%0.55121%0.211SC*.Hα-helixtrans-59-40173.6-66.9173.6176.900111.5V542 S543 V548 Q549 S550V542-E546 HydrophobicContact CG1-CG 4.37Å; V542-E546 PolarHBondContact O-N 3.44Å; V542-E546 VanDerWaalsContact O-N 3.11Å; S543-E546 PolarHBondContact O-N 3.5Å; E546-V548 VanDerWaalsContact C-N 3.32Å; E546-V548 PolarHBondContact O-N 2.81Å; E546-Q549 PolarHBondContact O-N 2.83Å; E546-S550 WeakPolarHBondContact O-CB 3.3Å; E546-S550 PolarHBondContact O-N 2.86Å
547S83.3Confident86.7Confident19 Ų1936.7 Ų36.713%0.13321%0.207CC..Hα-helixtrans-63.2-37.817677.70000112.6H255 S543 V544 M545 S550 G551 K552H255-S547 PolarHBondContact NE2-OG 3.41Å; S543-S547 PolarHBondContact O-N 3.27Å; V544-S547 PolarHBondContact O-N 3.24Å; V544-S547 PolarHBondContact O-OG 2.95Å; M545-S547 VanDerWaalsContact C-N 3.27Å; M545-S547 PolarHBondContact O-N 2.59Å; S547-S550 WeakPolarHBondContact CA-OG 3.35Å; S547-S550 PolarHBondContact O-N 3.49Å; S547-S550 PolarHBondContact O-OG 2.74Å; S547-G551 PolarHBondContact O-N 3.4Å; S547-K552 WeakPolarHBondContact O-CB 3.43Å; S547-K552 PolarHBondContact O-N 3.41Å; S547-K552 VanDerWaalsContact O-N 3.14Å
548V83.3Confident86.7Confident5 Ų536.9 Ų36.93%0.0321%0.209CC..Hα-helixtrans-69.3-40.3175.3174.80000110.7G70 V211 V544 M545 E546 S550 G551 L554G70-V548 WeakPolarHBondContact CA-O 3.26Å; V211-V548 HydrophobicContact CB-CG1 4.44Å; V211-V548 HydrophobicContact CG2-CG1 4.36Å; V544-V548 PolarHBondContact O-N 2.92Å; M545-V548 HydrophobicContact CE-CB 3.79Å; M545-V548 HydrophobicContact CE-CG1 3.76Å; M545-V548 PolarHBondContact O-N 3.3Å; M545-V548 VanDerWaalsContact O-N 3.13Å; E546-V548 VanDerWaalsContact C-N 3.32Å; E546-V548 PolarHBondContact O-N 2.81Å; V548-S550 VanDerWaalsContact C-N 3.3Å; V548-S550 PolarHBondContact O-N 3.31Å; V548-G551 PolarHBondContact O-N 3.41Å; V548-G551 VanDerWaalsContact O-N 3.12Å; V548-L554 HydrophobicContact CG2-CB 4.01Å; V548-L554 HydrophobicContact CG2-CD1 3.79Å
549Q83.3Confident86.8Confident148 Ų14835.8 Ų35.869%0.69220%0.203SC*.Hα-helixtrans-64.9-34.2174.8-67.9175.915.200112.3M545 E546 G551M545-Q549 HydrophobicContact CE-CG 3.64Å; M545-Q549 WeakPolarHBondContact O-CG 3.4Å; M545-Q549 PolarHBondContact O-N 3.39Å; E546-Q549 PolarHBondContact O-N 2.83Å; Q549-G551 PolarHBondContact O-N 3.47Å
550S81.8Confident87Confident79 Ų7932 Ų3255%0.55218%0.183SC*.THydrogen-bonded Turntrans-68.6-10.9174.777.90000113.8E546 S547 V548E546-S550 WeakPolarHBondContact O-CB 3.3Å; E546-S550 PolarHBondContact O-N 2.86Å; S547-S550 WeakPolarHBondContact CA-OG 3.35Å; S547-S550 PolarHBondContact O-N 3.49Å; S547-S550 PolarHBondContact O-OG 2.74Å; V548-S550 VanDerWaalsContact C-N 3.3Å; V548-S550 PolarHBondContact O-N 3.31Å
551G78.1Confident87.1Confident28 Ų2833.2 Ų33.229%0.28919%0.19SC..THydrogen-bonded Turntrans105.19.2171.800000115.6G70 S547 V548 Q549G70-G551 CarbonylContact C-O 3.58Å; G70-G551 CarbonylContact O-C 3.59Å; G70-G551 WeakPolarHBondContact O-CA 3.37Å; S547-G551 PolarHBondContact O-N 3.4Å; V548-G551 PolarHBondContact O-N 3.41Å; V548-G551 VanDerWaalsContact O-N 3.12Å; Q549-G551 PolarHBondContact O-N 3.47Å
552K83.1Confident87.3Confident59 Ų5934.4 Ų34.426%0.25719%0.193SC..PPolyproline II helixtrans-82.5134.6-178-63.8177.9-178.6168.90111.1S547 T760S547-K552 WeakPolarHBondContact O-CB 3.43Å; S547-K552 PolarHBondContact O-N 3.41Å; S547-K552 VanDerWaalsContact O-N 3.14Å; K552-T760 PolarHBondContact NZ-OG1 3.08Å
553P86.9Confident87.5Confident8 Ų831.9 Ų31.95%0.05218%0.177CC..PPolyproline II helixtrans-71.5132.9177.728.2-29.5000110.3V71 S98 V102 L207V71-P553 HydrophobicContact CG2-CB 3.99Å; V71-P553 HydrophobicContact CG2-CG 4.45Å; S98-P553 VanDerWaalsContact OG-CD 3.29Å; S98-P553 WeakPolarHBondContact OG-CD 3.38Å; V102-P553 HydrophobicContact CG2-CB 3.73Å; V102-P553 HydrophobicContact CG2-CG 3.39Å; L207-P553 HydrophobicContact CD1-CB 4.43Å
554L89.6Confident87.8Confident6 Ų629.4 Ų29.43%0.03116%0.16CC..PPolyproline II helixtrans-96.7117.5178.3-170.8146.1000110.4A208 L233 V235 I252 V544 V548 L556A208-L554 HydrophobicContact CB-CB 3.85Å; A208-L554 HydrophobicContact CB-CD2 3.8Å; A208-L554 HydrophobicContact CB-CG 4.44Å; A208-L554 WeakPolarHBondContact CB-O 3.39Å; A208-L554 PolarHBondContact N-O 2.85Å; L233-L554 HydrophobicContact CD2-CD1 4.49Å; V235-L554 HydrophobicContact CG1-CD2 4.42Å; V235-L554 HydrophobicContact CG2-CD2 4.49Å; I252-L554 HydrophobicContact CG2-CD1 4.05Å; I252-L554 HydrophobicContact CG2-CD2 4.36Å; I252-L554 HydrophobicContact CG2-CG 3.99Å; V544-L554 HydrophobicContact CG1-CD1 3.36Å; V548-L554 HydrophobicContact CG2-CB 4.01Å; V548-L554 HydrophobicContact CG2-CD1 3.79Å; L554-L556 HydrophobicContact CD2-CD1 3.74Å; L554-L556 HydrophobicContact CD2-CD2 4.05Å; L554-L556 HydrophobicContact CD2-CG 3.58Å
555V91.3Very high88.2Confident1 Ų131.6 Ų31.61%0.00617%0.169CC..EExtended strand (participates in β ladder)trans-107.9128.3177.2177.40000109.7D101 V105 L207 S253 V557 F595D101-V555 HydrophobicContact CB-CG2 4.25Å; V105-V555 HydrophobicContact CG2-CB 4.21Å; V105-V555 HydrophobicContact CG2-CG1 3.36Å; V105-V555 HydrophobicContact CG2-CG2 3.74Å; L207-V555 HydrophobicContact CD1-CG2 3.99Å; S253-V555 PolarHBondContact N-O 3.39Å; S253-V555 VanDerWaalsContact N-O 3.14Å; V555-V557 HydrophobicContact CG1-CG2 4.13Å; V555-F595 HydrophobicContact CG1-CD1 4.42Å; V555-F595 HydrophobicContact CG1-CE1 4.3Å
556L92.8Very high88.6Confident3 Ų330.1 Ų30.12%0.01616%0.162CC..EExtended strand (participates in β ladder)trans-111.6135.3178.9-70.9156.9000109.7H205 L206 V235 V250 I252 L535 I537 L554H205-L556 CarbonylContact C-O 3.5Å; H205-L556 WeakPolarHBondContact CA-O 3.44Å; H205-L556 WeakPolarHBondContact CB-O 3.28Å; L206-L556 HydrophobicContact CB-CB 4.32Å; L206-L556 HydrophobicContact CD2-CD1 3.74Å; L206-L556 PolarHBondContact N-O 3.32Å; L206-L556 PolarHBondContact O-N 3.03Å; V235-L556 HydrophobicContact CB-CD1 3.71Å; V235-L556 HydrophobicContact CG1-CD1 3.39Å; V235-L556 HydrophobicContact CG2-CD1 4.03Å; V250-L556 HydrophobicContact CG1-CB 4.16Å; V250-L556 HydrophobicContact CG1-CD2 3.47Å; V250-L556 VanDerWaalsContact CG1-CD2 3.47Å; V250-L556 HydrophobicContact CG1-CG 4.43Å; I252-L556 HydrophobicContact CD1-CD2 4.27Å; I252-L556 HydrophobicContact CG1-CD2 3.58Å; L535-L556 HydrophobicContact CD1-CD1 4.36Å; I537-L556 HydrophobicContact CD1-CD1 4.48Å; I537-L556 HydrophobicContact CD1-CD2 3.56Å; L554-L556 HydrophobicContact CD2-CD1 3.74Å; L554-L556 HydrophobicContact CD2-CD2 4.05Å; L554-L556 HydrophobicContact CD2-CG 3.58Å
557V93.6Very high89Confident2 Ų224.5 Ų24.51%0.01214%0.135CC..EExtended strand (participates in β ladder)trans-134.2130.6178.2-175.60000109.7R203 H205 V250 H251 V555 F595R203-V557 HydrophobicContact CB-CG1 4.05Å; H205-V557 HydrophobicContact CB-CG2 3.94Å; V250-V557 CarbonylContact C-O 3.58Å; V250-V557 WeakPolarHBondContact CA-O 3.25Å; H251-V557 PolarHBondContact N-O 3.14Å; H251-V557 PolarHBondContact O-N 3.12Å; V555-V557 HydrophobicContact CG1-CG2 4.13Å; V557-F595 HydrophobicContact CB-CD2 4.19Å; V557-F595 HydrophobicContact CB-CG 4.36Å; V557-F595 HydrophobicContact CG1-CD2 3.76Å; V557-F595 HydrophobicContact CG1-CE2 3.96Å; V557-F595 HydrophobicContact CG1-CG 4.41Å; V557-F595 HydrophobicContact CG2-CB 4.19Å; V557-F595 HydrophobicContact CG2-CD1 3.59Å; V557-F595 HydrophobicContact CG2-CD2 3.66Å; V557-F595 HydrophobicContact CG2-CE1 3.76Å; V557-F595 HydrophobicContact CG2-CE2 3.88Å; V557-F595 HydrophobicContact CG2-CG 3.56Å; V557-F595 HydrophobicContact CG2-CZ 3.93Å
558S92.7Very high89.5Confident4 Ų423.7 Ų23.73%0.02813%0.13CC..EExtended strand (participates in β ladder)trans-74.5129.2170.4-169.20000109.7S204 L249S204-S558 PolarHBondContact O-N 3.34Å; S204-S558 WeakPolarHBondContact OG-CB 3.34Å; L249-S558 WeakPolarHBondContact O-CA 3.39Å
559L92.9Very high90.1Very high7 Ų723.5 Ų23.54%0.03713%0.128CC..PPolyproline II helixtrans-78.2146.6175.9-65.9178.4000110.4L249 H251 D257 E563L249-L559 HydrophobicContact CB-CB 4.19Å; L249-L559 HydrophobicContact CB-CD1 3.9Å; L249-L559 HydrophobicContact CB-CG 4.43Å; L249-L559 PolarHBondContact O-N 3.41Å; H251-L559 HydrophobicContact CB-CD1 4.27Å; H251-L559 HydrophobicContact CB-CD2 3.82Å; H251-L559 HydrophobicContact CB-CG 4.02Å; D257-L559 HydrophobicContact CB-CD1 4.19Å; D257-L559 WeakPolarHBondContact OD2-CD1 3.47Å; L559-E563 HydrophobicContact CB-CB 4.27Å; L559-E563 HydrophobicContact CD2-CB 4.27Å
560L91.9Very high90.7Very high3 Ų316.6 Ų16.62%0.01610%0.096CC..PPolyproline II helixtrans-77.9159169.6-65.1170.9000110R203 I516 L517 A520 H562 E563 F635R203-L560 HydrophobicContact CG-CD1 4.39Å; R203-L560 HydrophobicContact CG-CG 4.27Å; I516-L560 HydrophobicContact CG2-CB 4.13Å; I516-L560 HydrophobicContact CG2-CD2 4.35Å; L517-L560 HydrophobicContact CD2-CD1 4Å; A520-L560 HydrophobicContact CB-CD2 4.01Å; L560-H562 PolarHBondContact O-N 3.04Å; L560-E563 HydrophobicContact CB-CG 3.9Å; L560-E563 PolarHBondContact N-OE2 3.05Å; L560-E563 WeakPolarHBondContact O-CB 3.17Å; L560-E563 PolarHBondContact O-N 3.49Å; L560-F635 HydrophobicContact CB-CD2 3.99Å; L560-F635 HydrophobicContact CB-CE2 4.14Å; L560-F635 HydrophobicContact CD1-CB 4.39Å; L560-F635 HydrophobicContact CD1-CD2 3.84Å
561P90.6Very high91.3Very high24 Ų2412.9 Ų12.916%0.1567%0.07CC..THydrogen-bonded Turntrans-49.5128.9175.4-29.133.6000112.3I516 E563 F635I516-P561 HydrophobicContact CD1-CB 4.43Å; I516-P561 HydrophobicContact CG2-CG 4.23Å; P561-E563 VanDerWaalsContact C-N 3.34Å; P561-E563 PolarHBondContact O-N 3.3Å; P561-F635 WeakPolarHBondContact O-CE2 3.25Å
562H91Very high92.2Very high65 Ų6513.4 Ų13.430%0.3017%0.066SC..THydrogen-bonded Turntrans72.78.2179.7-44.2-43000116.4L560 Q564 K565L560-H562 PolarHBondContact O-N 3.04Å; H562-Q564 VanDerWaalsContact C-N 3.29Å; H562-Q564 VanDerWaalsContact C-OE1 3.27Å; H562-Q564 VanDerWaalsContact CA-OE1 3.25Å; H562-Q564 PolarHBondContact O-N 2.88Å; H562-K565 HydrophobicContact CB-CD 4.14Å; H562-K565 PolarHBondContact O-N 3.02Å
563E91Very high92.8Very high3 Ų310.7 Ų10.71%0.0145%0.054CC..THydrogen-bonded Turntrans-74.3-14.7176.1-74-166.8146.700114.3R203 L559 L560 P561 K565 R596 I633 F635R203-E563 IonicContact CZ-OE1 3.64Å; R203-E563 IonicContact NE-OE1 2.59Å; R203-E563 PolarHBondContact NE-OE1 3.2Å; R203-E563 IonicContact NE-OE2 3.67Å; R203-E563 PolarHBondContact NE-OE2 3.49Å; R203-E563 IonicContact NH2-OE1 3.54Å; R203-E563 PolarHBondContact NH2-OE1 3.07Å; L559-E563 HydrophobicContact CB-CB 4.27Å; L559-E563 HydrophobicContact CD2-CB 4.27Å; L560-E563 HydrophobicContact CB-CG 3.9Å; L560-E563 PolarHBondContact N-OE2 3.05Å; L560-E563 WeakPolarHBondContact O-CB 3.17Å; L560-E563 PolarHBondContact O-N 3.49Å; P561-E563 VanDerWaalsContact C-N 3.34Å; P561-E563 PolarHBondContact O-N 3.3Å; E563-K565 VanDerWaalsContact C-N 3.34Å; E563-R596 PolarHBondContact O-NH2 2.81Å; E563-I633 CarbonylContact C-O 3.57Å; E563-I633 WeakPolarHBondContact CA-O 3.46Å; E563-I633 VanDerWaalsContact CB-O 3.31Å; E563-I633 WeakPolarHBondContact CB-O 3.18Å; E563-I633 WeakPolarHBondContact CG-O 3.22Å; E563-F635 HydrophobicContact CG-CD2 3.62Å; E563-F635 HydrophobicContact CG-CE2 3.72Å; E563-F635 WeakPolarHBondContact OE1-CD2 3.48Å; E563-F635 PolarHBondContact OE1-N 2.98Å; E563-F635 VanDerWaalsContact OE1-N 3.08Å
564Q91.2Very high93.1Very high4 Ų415.5 Ų15.52%0.0198%0.076CC..THydrogen-bonded Turntrans-78-21.3174.673.6-82.439.600113.1L249 S313 H562L249-Q564 HydrophobicContact CD1-CB 3.58Å; L249-Q564 VanDerWaalsContact CD1-CD 3.43Å; L249-Q564 HydrophobicContact CD1-CG 3.55Å; S313-Q564 PolarHBondContact O-NE2 3.3Å; H562-Q564 VanDerWaalsContact C-N 3.29Å; H562-Q564 VanDerWaalsContact C-OE1 3.27Å; H562-Q564 VanDerWaalsContact CA-OE1 3.25Å; H562-Q564 PolarHBondContact O-N 2.88Å
565K92.7Very high93.3Very high46 Ų4617.1 Ų17.120%0.28%0.082CC..SBendtrans-75.6139.8-172.7-72.3-179.1175.4-172.60111.1F504 H562 E563 P632 I633F504-K565 HydrophobicContact CB-CB 4.26Å; F504-K565 HydrophobicContact CB-CD 4.34Å; F504-K565 HydrophobicContact CD1-CD 3.79Å; F504-K565 HydrophobicContact CD2-CB 3.46Å; F504-K565 VanDerWaalsContact CD2-CB 3.46Å; F504-K565 HydrophobicContact CD2-CD 3.83Å; F504-K565 HydrophobicContact CD2-CG 3.69Å; F504-K565 HydrophobicContact CE1-CD 3.95Å; F504-K565 HydrophobicContact CE2-CB 3.92Å; F504-K565 HydrophobicContact CE2-CD 3.96Å; F504-K565 HydrophobicContact CE2-CG 3.69Å; F504-K565 HydrophobicContact CG-CB 3.95Å; F504-K565 HydrophobicContact CG-CD 3.71Å; F504-K565 HydrophobicContact CG-CG 4.1Å; F504-K565 HydrophobicContact CZ-CD 4.02Å; F504-K565 HydrophobicContact CZ-CG 4.14Å; H562-K565 HydrophobicContact CB-CD 4.14Å; H562-K565 PolarHBondContact O-N 3.02Å; E563-K565 VanDerWaalsContact C-N 3.34Å; K565-P632 WeakPolarHBondContact O-CA 3.49Å; K565-I633 HydrophobicContact CB-CD1 3.97Å; K565-I633 WeakPolarHBondContact O-CD1 2.89Å; K565-I633 WeakPolarHBondContact O-CG1 3.36Å; K565-I633 PolarHBondContact O-N 3.19Å
566M93.4Very high93.3Very high1 Ų118.2 Ų18.21%0.0059%0.087CC..EExtended strand (participates in β ladder)trans-75.9138176.7-73.2-71.1-99.200112.2V316 F504 P632 W752 Y754V316-M566 HydrophobicContact CG1-CG 3.41Å; V316-M566 VanDerWaalsContact CG1-CG 3.41Å; V316-M566 HydrophobicContact CG1-SD 4.23Å; V316-M566 PolarHBondContact O-N 2.81Å; F504-M566 PolarHBondContact N-O 3.48Å; M566-P632 HydrophobicContact SD-CB 4.45Å; M566-P632 VanDerWaalsContact SD-CD 3.51Å; M566-P632 HydrophobicContact SD-CG 3.76Å; M566-P632 VanDerWaalsContact SD-N 3.41Å; M566-W752 HydrophobicContact CB-CH2 4.05Å; M566-W752 HydrophobicContact CE-CH2 3.78Å; M566-W752 HydrophobicContact CE-CZ2 3.6Å; M566-W752 HydrophobicContact CE-CZ3 4.48Å; M566-W752 HydrophobicContact CG-CH2 4.15Å; M566-W752 HydrophobicContact CG-CZ2 4.46Å; M566-Y754 HydrophobicContact CE-CD1 3.67Å; M566-Y754 HydrophobicContact CE-CD2 4.36Å; M566-Y754 HydrophobicContact CE-CE1 4.39Å; M566-Y754 HydrophobicContact CE-CG 3.65Å; M566-Y754 HydrophobicContact SD-CD1 4.4Å
567S94.7Very high93Very high0 Ų023.5 Ų23.50%012%0.121CC..EExtended strand (participates in β ladder)trans-151.8-174.9170-158.20000111.2F504 Y630 A631 I633F504-S567 WeakPolarHBondContact O-CB 3.21Å; F504-S567 PolarHBondContact O-OG 3.49Å; S567-Y630 WeakPolarHBondContact O-CA 3.3Å; S567-A631 PolarHBondContact N-O 3.35Å; S567-A631 VanDerWaalsContact N-O 3.11Å; S567-A631 PolarHBondContact O-N 3.49Å; S567-I633 VanDerWaalsContact CB-CG1 3.41Å
568V94.9Very high92.6Very high2 Ų227 Ų271%0.01215%0.146CC..EExtended strand (participates in β ladder)trans-90.5111.1173.1-175.60000108.8Y500 I503 Y630 C662 D663 P664Y500-V568 HydrophobicContact CE2-CG2 4.43Å; I503-V568 HydrophobicContact CD1-CG2 3.89Å; V568-Y630 HydrophobicContact CG2-CD1 3.71Å; V568-Y630 HydrophobicContact CG2-CE1 3.58Å; V568-C662 CarbonylContact O-C 3.48Å; V568-C662 WeakPolarHBondContact O-CA 3.47Å; V568-D663 PolarHBondContact O-N 3.08Å; V568-D663 VanDerWaalsContact O-N 3.09Å; V568-P664 HydrophobicContact CB-CB 4.36Å; V568-P664 HydrophobicContact CG2-CB 4Å
569M95Very high92.2Very high1 Ų127.5 Ų27.51%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-90.3138.9176.9-65.3-174.666.900111L571 S628 V629 A631 L659M569-L571 HydrophobicContact CE-CD2 4.47Å; M569-S628 WeakPolarHBondContact O-CA 3.49Å; M569-V629 HydrophobicContact CB-CG1 4.43Å; M569-V629 PolarHBondContact N-O 3.39Å; M569-V629 PolarHBondContact O-N 3.23Å; M569-V629 VanDerWaalsContact O-N 3.1Å; M569-A631 HydrophobicContact CG-CB 4.03Å; M569-A631 HydrophobicContact SD-CB 3.39Å; M569-A631 WeakPolarHBondContact SD-CB 3.35Å; M569-L659 HydrophobicContact CE-CD1 3.4Å; M569-L659 VanDerWaalsContact CE-CD1 3.4Å; M569-L659 HydrophobicContact CE-CD2 3.92Å; M569-L659 HydrophobicContact CE-CG 4.34Å
570H95.6Very high91.8Very high3 Ų332.3 Ų32.31%0.01418%0.178CC..EExtended strand (participates in β ladder)trans-114.4121173.5-58-52.1000110.8V626 V627 S628 L660 S661 D663 R666H570-V626 HydrophobicContact CB-CG1 4.06Å; H570-V627 CarbonylContact C-O 3.59Å; H570-V627 WeakPolarHBondContact CA-O 3.15Å; H570-S628 PolarHBondContact CE1-OG 3.14Å; H570-S628 PolarHBondContact ND1-OG 2.9Å; H570-L660 HydrophobicContact CB-CB 4.49Å; H570-L660 WeakPolarHBondContact O-CB 3.41Å; H570-L660 PolarHBondContact O-N 3.41Å; H570-S661 WeakPolarHBondContact CB-O 3.3Å; H570-S661 PolarHBondContact N-O 2.84Å; H570-S661 PolarHBondContact O-N 2.92Å; H570-D663 PolarHBondContact NE2-O 2.69Å; H570-R666 WeakPolarHBondContact CE1-CD 3Å; H570-R666 WeakPolarHBondContact NE2-CB 3.4Å; H570-R666 WeakPolarHBondContact NE2-CD 3.36Å
571L95.6Very high91.7Very high1 Ų134.4 Ų34.41%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-113.8131.4-177.4-47.8159.1000108.1M569 V573 F591 V626 V627 V629 V640 L659M569-L571 HydrophobicContact CE-CD2 4.47Å; L571-V573 HydrophobicContact CB-CG1 4.18Å; L571-F591 HydrophobicContact CD1-CD1 3.61Å; L571-F591 HydrophobicContact CD1-CE1 3.56Å; L571-V626 CarbonylContact O-C 3.36Å; L571-V626 VanDerWaalsContact O-CA 3.3Å; L571-V626 WeakPolarHBondContact O-CA 3.36Å; L571-V627 HydrophobicContact CB-CB 4.19Å; L571-V627 HydrophobicContact CD1-CB 4.48Å; L571-V627 HydrophobicContact CD1-CG1 4.09Å; L571-V627 PolarHBondContact N-O 2.93Å; L571-V627 PolarHBondContact O-N 3.27Å; L571-V629 HydrophobicContact CD1-CG1 4.37Å; L571-V640 HydrophobicContact CB-CG1 4.4Å; L571-V640 HydrophobicContact CD1-CG1 4.07Å; L571-V640 HydrophobicContact CD2-CB 4.43Å; L571-V640 HydrophobicContact CD2-CG1 4.03Å; L571-V640 HydrophobicContact CD2-CG2 3.57Å; L571-V640 HydrophobicContact CG-CG1 4.4Å; L571-L659 HydrophobicContact CD2-CB 4.36Å; L571-L659 HydrophobicContact CD2-CD1 3.39Å; L571-L659 HydrophobicContact CD2-CG 4.47Å; L571-L659 HydrophobicContact CG-CD1 4.44Å
572L95.6Very high91.7Very high39 Ų3934 Ų3420%0.20419%0.185CC..EExtended strand (participates in β ladder)trans-93.4113.3172.6-174.970.1000108.4H607 P624 V626 G657 S658L572-H607 HydrophobicContact CD1-CB 3.99Å; L572-P624 HydrophobicContact CD1-CB 3.98Å; L572-P624 HydrophobicContact CG-CB 4.39Å; L572-V626 HydrophobicContact CD1-CG2 3.81Å; L572-G657 CarbonylContact O-C 3.5Å; L572-G657 WeakPolarHBondContact O-CA 3.34Å; L572-S658 PolarHBondContact N-O 3.46Å; L572-S658 PolarHBondContact O-N 3.42Å
573V95.6Very high91.8Very high1 Ų131 Ų311%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-123.8147.8-174.6-54.30000111.8L571 L619 P624 T625 V627 L642 A655 T656L571-V573 HydrophobicContact CB-CG1 4.18Å; V573-L619 HydrophobicContact CG2-CD1 4.25Å; V573-P624 WeakPolarHBondContact O-CA 3.37Å; V573-T625 WeakPolarHBondContact CG2-O 3.49Å; V573-T625 PolarHBondContact N-O 3.49Å; V573-T625 PolarHBondContact O-N 2.97Å; V573-V627 HydrophobicContact CB-CG2 4.46Å; V573-V627 HydrophobicContact CG1-CG2 4.14Å; V573-V627 HydrophobicContact CG2-CG2 3.44Å; V573-V627 VanDerWaalsContact CG2-CG2 3.44Å; V573-L642 HydrophobicContact CG1-CD1 3.83Å; V573-L642 HydrophobicContact CG1-CD2 4.37Å; V573-A655 HydrophobicContact CB-CB 4.12Å; V573-A655 HydrophobicContact CG2-CB 4.33Å; V573-T656 WeakPolarHBondContact CA-O 3.17Å
574Q93.8Very high91.8Very high110 Ų11035.2 Ų35.251%0.51419%0.19SC..EExtended strand (participates in β ladder)trans-120136.8168.5-73.9-178.4-39.600108.5P624 A655 T656Q574-P624 HydrophobicContact CG-CB 3.82Å; Q574-A655 CarbonylContact O-C 3.55Å; Q574-A655 VanDerWaalsContact O-CA 3.24Å; Q574-A655 WeakPolarHBondContact O-CA 3.25Å; Q574-A655 VanDerWaalsContact O-CB 3.3Å; Q574-A655 WeakPolarHBondContact O-CB 3.36Å; Q574-T656 PolarHBondContact N-O 2.79Å; Q574-T656 PolarHBondContact O-N 2.99Å
575R93.3Very high91.9Very high40 Ų4035.6 Ų35.615%0.15119%0.193CC..EExtended strand (participates in β ladder)trans-63137.5177.9-172.7171172174.6-6.4109.9N579 T580 E581 L619R575-N579 VanDerWaalsContact CZ-O 3.3Å; R575-N579 PolarHBondContact NE-O 2.88Å; R575-N579 PolarHBondContact NH2-O 3.1Å; R575-T580 PolarHBondContact NH2-O 3.23Å; R575-E581 VanDerWaalsContact CZ-O 3.31Å; R575-E581 PolarHBondContact NH2-O 3.4Å; R575-L619 HydrophobicContact CB-CD2 4.04Å; R575-L619 HydrophobicContact CB-CG 4.34Å; R575-L619 HydrophobicContact CG-CD2 4.08Å
576H91.4Very high91.9Very high23 Ų2336.9 Ų36.911%0.10620%0.198CC..  trans-78.6135.4175.9-172.9-72.9000109.3S128 S578 N579 L653 V654S128-H576 VanDerWaalsContact CB-NE2 3.35Å; S128-H576 WeakPolarHBondContact CB-NE2 3.24Å; S128-H576 PolarHBondContact OG-NE2 3.05Å; H576-S578 PolarHBondContact CE1-OG 3.12Å; H576-S578 VanDerWaalsContact ND1-CB 3.35Å; H576-S578 WeakPolarHBondContact ND1-CB 3.4Å; H576-S578 PolarHBondContact ND1-N 3.18Å; H576-S578 PolarHBondContact ND1-OG 2.69Å; H576-S578 PolarHBondContact O-N 3.3Å; H576-N579 PolarHBondContact O-N 3.4Å; H576-L653 HydrophobicContact CB-CD2 4.3Å; H576-L653 HydrophobicContact CB-CG 4.26Å; H576-L653 VanDerWaalsContact CD2-CD2 3.4Å; H576-L653 WeakPolarHBondContact CD2-CD2 3.39Å; H576-V654 PolarHBondContact N-O 2.82Å
577P87.8Confident91.9Very high114 Ų11438.6 Ų38.674%0.7421%0.206SC*.THydrogen-bonded Turntrans-65.1-18-175.125.6-36.1000114.8N579P577-N579 VanDerWaalsContact C-N 3.27Å; P577-N579 PolarHBondContact O-N 3.25Å
578S83.6Confident91.8Very high76 Ų7642.6 Ų42.653%0.53123%0.225SC..THydrogen-bonded Turntrans-70.4-26.1177.669.20000112.6H576H576-S578 PolarHBondContact CE1-OG 3.12Å; H576-S578 VanDerWaalsContact ND1-CB 3.35Å; H576-S578 WeakPolarHBondContact ND1-CB 3.4Å; H576-S578 PolarHBondContact ND1-N 3.18Å; H576-S578 PolarHBondContact ND1-OG 2.69Å; H576-S578 PolarHBondContact O-N 3.3Å
579N84Confident91.7Very high15 Ų1542.6 Ų42.68%0.0823%0.225CC..  trans-101.8107.8-175.7-168.3-15.1000111.2R575 H576 P577 E581R575-N579 VanDerWaalsContact CZ-O 3.3Å; R575-N579 PolarHBondContact NE-O 2.88Å; R575-N579 PolarHBondContact NH2-O 3.1Å; H576-N579 PolarHBondContact O-N 3.4Å; P577-N579 VanDerWaalsContact C-N 3.27Å; P577-N579 PolarHBondContact O-N 3.25Å; N579-E581 VanDerWaalsContact OD1-CB 3.3Å; N579-E581 WeakPolarHBondContact OD1-CB 3.33Å; N579-E581 PolarHBondContact OD1-N 3.43Å
580T86.1Confident91.7Very high108 Ų10842.7 Ų42.766%0.66323%0.225SC*.  trans-94.1-2177.558.20000113.6R575R575-T580 PolarHBondContact NH2-O 3.23Å
581E88.7Confident91.6Very high47 Ų4742.5 Ų42.522%0.2223%0.225CC..SBendtrans-69133.1177.3-60.9-174179.900113.1R575 N579 I583 K644 R646R575-E581 VanDerWaalsContact CZ-O 3.31Å; R575-E581 PolarHBondContact NH2-O 3.4Å; N579-E581 VanDerWaalsContact OD1-CB 3.3Å; N579-E581 WeakPolarHBondContact OD1-CB 3.33Å; N579-E581 PolarHBondContact OD1-N 3.43Å; E581-I583 PolarHBondContact O-N 3.34Å; E581-K644 IonicContact OE2-NZ 3.86Å; E581-K644 PolarHBondContact OE2-NZ 3.28Å; E581-R646 IonicContact OE1-NH2 2.67Å
582P90.9Very high91.5Very high16 Ų1642.6 Ų42.610%0.10423%0.225CC..  trans-72.3122.7174.829-32.7000110.6Y451 A454 F618Y451-P582 HydrophobicContact CD1-CG 4.01Å; Y451-P582 HydrophobicContact CD2-CG 4.47Å; Y451-P582 VanDerWaalsContact CE1-CD 3.49Å; Y451-P582 HydrophobicContact CE1-CG 4.08Å; Y451-P582 HydrophobicContact CG-CG 4.21Å; A454-P582 HydrophobicContact CB-CB 3.62Å; A454-P582 HydrophobicContact CB-CG 4.15Å; P582-F618 HydrophobicContact CB-CD1 4.27Å
583I92.1Very high91.3Very high0 Ų040.8 Ų40.80%022%0.215CC..  trans-109126.8-177.6-65.7164.8000109.7E581 L589 F604 F618 L619 V654E581-I583 PolarHBondContact O-N 3.34Å; I583-L589 HydrophobicContact CG2-CD1 4.39Å; I583-L589 HydrophobicContact CG2-CD2 4.38Å; I583-F604 HydrophobicContact CG2-CE2 4.18Å; I583-F604 HydrophobicContact CG2-CZ 4.11Å; I583-F618 VanDerWaalsContact O-CA 3.25Å; I583-F618 WeakPolarHBondContact O-CA 3.35Å; I583-L619 HydrophobicContact CB-CB 4.46Å; I583-L619 PolarHBondContact O-N 3.25Å; I583-V654 HydrophobicContact CD1-CB 3.86Å; I583-V654 HydrophobicContact CD1-CG1 3.13Å; I583-V654 HydrophobicContact CD1-CG2 3.44Å; I583-V654 VanDerWaalsContact CD1-CG2 3.44Å
584K92.6Very high91Very high92 Ų9241.1 Ų41.140%0.422%0.219SC..BIsolated β-bridgetrans-88.8145.5-173-163.5167.4-177.1163.30110.3E453 K586 E587 R617 F618E453-K584 IonicContact OE2-NZ 2.68Å; E453-K584 PolarHBondContact OE2-NZ 3.09Å; K584-K586 PolarHBondContact O-N 2.76Å; K584-E587 PolarHBondContact N-OE2 3.49Å; K584-E587 VanDerWaalsContact N-OE2 3.09Å; K584-E587 WeakPolarHBondContact O-CB 3.47Å; K584-E587 PolarHBondContact O-N 2.77Å; K584-R617 CarbonylContact C-O 3.59Å; K584-R617 WeakPolarHBondContact CA-O 3.41Å; K584-F618 HydrophobicContact CB-CD1 4.33Å; K584-F618 HydrophobicContact CB-CE1 4.13Å; K584-F618 HydrophobicContact CD-CE1 4.49Å; K584-F618 HydrophobicContact CG-CE1 4.18Å
585S92.9Very high90.7Very high12 Ų1236.2 Ų36.28%0.08420%0.196CC..THydrogen-bonded Turntrans-58.9138.7168.9-95.10000110E587 F604 E616 R617S585-E587 VanDerWaalsContact C-N 3.25Å; S585-F604 WeakPolarHBondContact OG-CB 3.41Å; S585-F604 WeakPolarHBondContact OG-CD2 3.47Å; S585-F604 WeakPolarHBondContact OG-CG 3.38Å; S585-F604 PolarHBondContact OG-N 3.07Å; S585-E616 WeakPolarHBondContact CB-O 3.39Å; S585-E616 PolarHBondContact OG-O 3.33Å; S585-R617 PolarHBondContact N-O 3.38Å
586K93.3Very high90.6Very high73 Ų7334.8 Ų34.832%0.31719%0.191SC..THydrogen-bonded Turntrans72.36.3-176.1-47.2177.5178.4-170.50115.8K584 P602 I603K584-K586 PolarHBondContact O-N 2.76Å; K586-P602 VanDerWaalsContact CA-O 3.29Å; K586-P602 WeakPolarHBondContact CA-O 3.29Å; K586-P602 PolarHBondContact N-O 2.89Å; K586-I603 HydrophobicContact CG-CG1 4.26Å
587E91.9Very high90.7Very high38 Ų3834.9 Ų34.918%0.17819%0.19CC..  trans-66149.6162.9-167.4172.8169.400109.3K584 S585 P602 K644K584-E587 PolarHBondContact N-OE2 3.49Å; K584-E587 VanDerWaalsContact N-OE2 3.09Å; K584-E587 WeakPolarHBondContact O-CB 3.47Å; K584-E587 PolarHBondContact O-N 2.77Å; S585-E587 VanDerWaalsContact C-N 3.25Å; E587-P602 WeakPolarHBondContact O-CD 3.36Å; E587-K644 VanDerWaalsContact OE1-CE 3.25Å; E587-K644 WeakPolarHBondContact OE1-CE 3.49Å; E587-K644 IonicContact OE1-NZ 3.04Å
588E92.5Very high90.9Very high83 Ų8329.6 Ų29.639%0.38816%0.155SC..  trans-78.7129179.4-168.8-176.7-173.100110.6R599E588-R599 HydrophobicContact CG-CB 4.39Å; E588-R599 WeakPolarHBondContact OE1-CB 3.49Å; E588-R599 IonicContact OE1-CZ 2.66Å; E588-R599 VanDerWaalsContact OE1-CZ 3.25Å; E588-R599 IonicContact OE1-NE 3.66Å; E588-R599 PolarHBondContact OE1-NE 3.25Å; E588-R599 IonicContact OE1-NH2 3.29Å; E588-R599 PolarHBondContact OE1-NH2 3.47Å; E588-R599 VanDerWaalsContact OE1-NH2 3.09Å; E588-R599 IonicContact OE2-CZ 2.77Å; E588-R599 IonicContact OE2-NE 2.75Å; E588-R599 IonicContact OE2-NH2 3.57Å; E588-R599 PolarHBondContact OE2-NH2 3.19Å
589L93.6Very high91.4Very high2 Ų228.3 Ų28.31%0.0114%0.139CC..EExtended strand (participates in β ladder)trans-128.2151.5177.6-62.5179.3000110.3I583 F591 R599 A600 P602 F604 L642 K644I583-L589 HydrophobicContact CG2-CD1 4.39Å; I583-L589 HydrophobicContact CG2-CD2 4.38Å; L589-F591 HydrophobicContact CB-CE2 3.92Å; L589-F591 HydrophobicContact CB-CZ 4.27Å; L589-F591 WeakPolarHBondContact O-CD2 3.35Å; L589-F591 WeakPolarHBondContact O-CE2 3.38Å; L589-R599 WeakPolarHBondContact O-CA 3.45Å; L589-A600 PolarHBondContact N-O 2.89Å; L589-A600 PolarHBondContact O-N 2.88Å; L589-P602 HydrophobicContact CD1-CG 3.96Å; L589-P602 HydrophobicContact CG-CG 4.44Å; L589-F604 HydrophobicContact CD1-CZ 4.25Å; L589-L642 HydrophobicContact CD1-CD2 3.87Å; L589-L642 HydrophobicContact CD1-CG 4.47Å; L589-K644 HydrophobicContact CD2-CB 4.11Å
590V93.9Very high91.9Very high3 Ų327.6 Ų27.62%0.01814%0.136CC..EExtended strand (participates in β ladder)trans-89.4122.1172.4-177.70000108.3R599 L642 F643 V758V590-R599 HydrophobicContact CG2-CG 4.23Å; V590-L642 WeakPolarHBondContact O-CA 3.43Å; V590-F643 HydrophobicContact CB-CB 4.18Å; V590-F643 PolarHBondContact N-O 3.34Å; V590-F643 PolarHBondContact O-N 2.87Å; V590-V758 HydrophobicContact CG1-CG1 3.67Å; V590-V758 HydrophobicContact CG1-CG2 4.11Å; V590-V758 HydrophobicContact CG2-CG1 4.46Å
591F94.3Very high92.3Very high0 Ų023.1 Ų23.10%011%0.108CC..EExtended strand (participates in β ladder)trans-102.7126.7-180-70.6-92.7000110.5L571 L589 R597 F598 A600 P602 V627 L642L571-F591 HydrophobicContact CD1-CD1 3.61Å; L571-F591 HydrophobicContact CD1-CE1 3.56Å; L589-F591 HydrophobicContact CB-CE2 3.92Å; L589-F591 HydrophobicContact CB-CZ 4.27Å; L589-F591 WeakPolarHBondContact O-CD2 3.35Å; L589-F591 WeakPolarHBondContact O-CE2 3.38Å; F591-R597 VanDerWaalsContact O-CA 3.31Å; F591-R597 WeakPolarHBondContact O-CA 3.37Å; F591-F598 HydrophobicContact CB-CD1 4.3Å; F591-F598 HydrophobicContact CB-CD2 3.97Å; F591-F598 HydrophobicContact CB-CE1 3.97Å; F591-F598 HydrophobicContact CB-CE2 3.61Å; F591-F598 HydrophobicContact CB-CG 4.3Å; F591-F598 HydrophobicContact CB-CZ 3.61Å; F591-F598 HydrophobicContact CD2-CD2 4.13Å; F591-F598 AromaticContact CD2-CE2 3.77Å; F591-F598 HydrophobicContact CD2-CE2 3.77Å; F591-F598 HydrophobicContact CG-CD2 4.32Å; F591-F598 AromaticContact CG-CE2 3.72Å; F591-F598 HydrophobicContact CG-CE2 3.72Å; F591-F598 AromaticContact CG-CZ 4Å; F591-F598 HydrophobicContact CG-CZ 4Å; F591-F598 PolarHBondContact N-O 2.9Å; F591-F598 PolarHBondContact O-N 2.79Å; F591-F598 VanDerWaalsContact O-N 3.11Å; F591-A600 HydrophobicContact CD2-CB 4.17Å; F591-A600 HydrophobicContact CE2-CB 4.03Å; F591-P602 HydrophobicContact CE2-CG 4.34Å; F591-P602 HydrophobicContact CZ-CB 3.84Å; F591-P602 HydrophobicContact CZ-CG 3.75Å; F591-V627 HydrophobicContact CE1-CG1 3.87Å; F591-V627 HydrophobicContact CZ-CG1 4.07Å; F591-L642 HydrophobicContact CD1-CD1 3.83Å; F591-L642 HydrophobicContact CD1-CG 3.96Å; F591-L642 HydrophobicContact CE1-CD1 3.79Å; F591-L642 HydrophobicContact CE1-CD2 3.91Å; F591-L642 HydrophobicContact CE1-CG 3.67Å; F591-L642 HydrophobicContact CZ-CD2 4.32Å; F591-L642 HydrophobicContact CZ-CG 4.29Å
592H93.1Very high92.6Very high3 Ų320.9 Ų20.91%0.01410%0.098CC..EExtended strand (participates in β ladder)trans-105.2103162-68.7-158.8000107.3H97 V640 L641 F643H97-H592 AromaticContact CE1-CE1 3.49Å; H97-H592 PolarHBondContact CE1-CE1 2.82Å; H97-H592 VanDerWaalsContact CE1-CE1 3.49Å; H97-H592 AromaticContact CE1-NE2 3.35Å; H97-H592 PolarHBondContact CE1-NE2 2.89Å; H97-H592 AromaticContact ND1-CE1 3.28Å; H97-H592 PolarHBondContact ND1-CE1 2.87Å; H97-H592 VanDerWaalsContact ND1-CE1 3.28Å; H97-H592 AromaticContact ND1-NE2 3.59Å; H592-V640 CarbonylContact O-C 3.46Å; H592-V640 VanDerWaalsContact O-CA 3.26Å; H592-V640 WeakPolarHBondContact O-CA 3.2Å; H592-L641 HydrophobicContact CB-CB 4.09Å; H592-L641 HydrophobicContact CB-CD1 4.45Å; H592-L641 HydrophobicContact CB-CG 4.5Å; H592-L641 PolarHBondContact N-O 2.91Å; H592-L641 PolarHBondContact O-N 3.35Å; H592-F643 AromaticContact CE1-CE2 3.89Å; H592-F643 AromaticContact CG-CE2 3.95Å; H592-F643 AromaticContact ND1-CE2 3.79Å
593C91.7Very high92.8Very high0 Ų020.1 Ų20.10%09%0.093CC..EExtended strand (participates in β ladder)trans-110.696.4177.8-167.90000109.2F595 R596 F598C593-F595 PolarHBondContact O-N 2.94Å; C593-F595 VanDerWaalsContact O-N 3.09Å; C593-R596 PolarHBondContact N-O 3.03Å; C593-R596 PolarHBondContact O-N 2.89Å; C593-F598 HydrophobicContact CB-CE1 4.15Å
594G88.8Confident93Very high8 Ų820.2 Ų20.28%0.0829%0.093CC..THydrogen-bonded Turntrans61.1-111.9-173.400000112.3K104 G639K104-G594 WeakPolarHBondContact CD-O 3.3Å; K104-G594 WeakPolarHBondContact CE-O 3.24Å; K104-G594 PolarHBondContact NZ-O 3.39Å; G594-G639 PolarHBondContact N-O 3.09Å
595F88.9Confident93.2Very high8 Ų815.8 Ų15.84%0.0357%0.074CC..THydrogen-bonded Turntrans-92-18.1177.6-67.9-73.7000113.4K104 V105 F199 H251 V555 V557 C593K104-F595 HydrophobicContact CB-CD1 4.15Å; K104-F595 HydrophobicContact CB-CE1 3.52Å; K104-F595 HydrophobicContact CB-CZ 4.24Å; K104-F595 HydrophobicContact CD-CD1 3.71Å; K104-F595 HydrophobicContact CD-CE1 4.01Å; K104-F595 HydrophobicContact CG-CD1 4.43Å; K104-F595 HydrophobicContact CG-CE1 4.24Å; V105-F595 HydrophobicContact CG2-CE1 4.47Å; F199-F595 AromaticContact CD1-CD2 3.94Å; F199-F595 HydrophobicContact CD1-CD2 3.94Å; F199-F595 AromaticContact CD1-CE2 3.68Å; F199-F595 HydrophobicContact CD1-CE2 3.68Å; F199-F595 HydrophobicContact CD1-CZ 4.49Å; F199-F595 HydrophobicContact CE1-CB 4.49Å; F199-F595 AromaticContact CE1-CD2 3.07Å; F199-F595 HydrophobicContact CE1-CD2 3.07Å; F199-F595 AromaticContact CE1-CE2 3.31Å; F199-F595 HydrophobicContact CE1-CE2 3.31Å; F199-F595 AromaticContact CE1-CG 3.91Å; F199-F595 HydrophobicContact CE1-CG 3.91Å; F199-F595 HydrophobicContact CE1-CZ 4.34Å; F199-F595 AromaticContact CZ-CD2 3.7Å; F199-F595 HydrophobicContact CZ-CD2 3.7Å; F199-F595 HydrophobicContact CZ-CE2 4.22Å; H251-F595 PolarHBondContact NE2-O 2.84Å; V555-F595 HydrophobicContact CG1-CD1 4.42Å; V555-F595 HydrophobicContact CG1-CE1 4.3Å; V557-F595 HydrophobicContact CB-CD2 4.19Å; V557-F595 HydrophobicContact CB-CG 4.36Å; V557-F595 HydrophobicContact CG1-CD2 3.76Å; V557-F595 HydrophobicContact CG1-CE2 3.96Å; V557-F595 HydrophobicContact CG1-CG 4.41Å; V557-F595 HydrophobicContact CG2-CB 4.19Å; V557-F595 HydrophobicContact CG2-CD1 3.59Å; V557-F595 HydrophobicContact CG2-CD2 3.66Å; V557-F595 HydrophobicContact CG2-CE1 3.76Å; V557-F595 HydrophobicContact CG2-CE2 3.88Å; V557-F595 HydrophobicContact CG2-CG 3.56Å; V557-F595 HydrophobicContact CG2-CZ 3.93Å; C593-F595 PolarHBondContact O-N 2.94Å; C593-F595 VanDerWaalsContact O-N 3.09Å
596R91.4Very high93.2Very high9 Ų917.7 Ų17.73%0.0348%0.082CC..EExtended strand (participates in β ladder)trans-83.5140.8-178.1-63.3-177.8176.8-808.4110.5D257 E563 C593 F598D257-R596 IonicContact OD1-CZ 2.74Å; D257-R596 IonicContact OD1-NH1 2.74Å; D257-R596 PolarHBondContact OD1-NH1 2.99Å; D257-R596 IonicContact OD1-NH2 3.81Å; D257-R596 IonicContact OD2-CZ 2.63Å; D257-R596 IonicContact OD2-NH1 3.39Å; D257-R596 PolarHBondContact OD2-NH1 2.93Å; D257-R596 IonicContact OD2-NH2 2.78Å; D257-R596 PolarHBondContact OD2-NH2 3.42Å; E563-R596 PolarHBondContact O-NH2 2.81Å; C593-R596 PolarHBondContact N-O 3.03Å; C593-R596 PolarHBondContact O-N 2.89Å; R596-F598 HydrophobicContact CB-CD1 4.47Å
597R91.5Very high93.3Very high26 Ų2618.4 Ų18.410%0.0989%0.086CC..EExtended strand (participates in β ladder)trans-123.3135.5171.1-66.2179.7-75.5-146.1-9108.1D101 S253 F591 V758D101-R597 IonicContact OD1-CZ 3.59Å; D101-R597 IonicContact OD1-NH1 3.56Å; D101-R597 IonicContact OD1-NH2 2.89Å; D101-R597 IonicContact OD2-CZ 3.33Å; D101-R597 IonicContact OD2-NH1 3.29Å; D101-R597 PolarHBondContact OD2-NH1 2.8Å; D101-R597 IonicContact OD2-NH2 3.48Å; D101-R597 PolarHBondContact OD2-NH2 2.89Å; S253-R597 PolarHBondContact O-NH2 3.13Å; F591-R597 VanDerWaalsContact O-CA 3.31Å; F591-R597 WeakPolarHBondContact O-CA 3.37Å; R597-V758 HydrophobicContact CB-CG2 4.02Å
598F93Very high93.3Very high2 Ų219 Ų191%0.0099%0.092CC..EExtended strand (participates in β ladder)trans-161.9158.1177.157-90000110.6F591 C593 R596 A600 V629 A631 Y754 D755F591-F598 HydrophobicContact CB-CD1 4.3Å; F591-F598 HydrophobicContact CB-CD2 3.97Å; F591-F598 HydrophobicContact CB-CE1 3.97Å; F591-F598 HydrophobicContact CB-CE2 3.61Å; F591-F598 HydrophobicContact CB-CG 4.3Å; F591-F598 HydrophobicContact CB-CZ 3.61Å; F591-F598 HydrophobicContact CD2-CD2 4.13Å; F591-F598 AromaticContact CD2-CE2 3.77Å; F591-F598 HydrophobicContact CD2-CE2 3.77Å; F591-F598 HydrophobicContact CG-CD2 4.32Å; F591-F598 AromaticContact CG-CE2 3.72Å; F591-F598 HydrophobicContact CG-CE2 3.72Å; F591-F598 AromaticContact CG-CZ 4Å; F591-F598 HydrophobicContact CG-CZ 4Å; F591-F598 PolarHBondContact N-O 2.9Å; F591-F598 PolarHBondContact O-N 2.79Å; F591-F598 VanDerWaalsContact O-N 3.11Å; C593-F598 HydrophobicContact CB-CE1 4.15Å; R596-F598 HydrophobicContact CB-CD1 4.47Å; F598-A600 HydrophobicContact CD2-CB 4.02Å; F598-A600 HydrophobicContact CE2-CB 4.1Å; F598-V629 HydrophobicContact CE2-CG1 4.49Å; F598-A631 HydrophobicContact CE1-CB 4.12Å; F598-A631 HydrophobicContact CE2-CB 3.78Å; F598-A631 HydrophobicContact CZ-CB 3.5Å; F598-A631 VanDerWaalsContact CZ-CB 3.5Å; F598-Y754 HydrophobicContact CB-CD2 3.9Å; F598-Y754 HydrophobicContact CB-CE2 3.38Å; F598-Y754 AromaticContact CD1-CE2 3.92Å; F598-Y754 HydrophobicContact CD1-CE2 3.92Å; F598-Y754 AromaticContact CD2-CD2 3.74Å; F598-Y754 HydrophobicContact CD2-CD2 3.74Å; F598-Y754 AromaticContact CD2-CE2 3.82Å; F598-Y754 HydrophobicContact CD2-CE2 3.82Å; F598-Y754 HydrophobicContact CE2-CD2 4.41Å; F598-Y754 AromaticContact CG-CD2 3.87Å; F598-Y754 HydrophobicContact CG-CD2 3.87Å; F598-Y754 AromaticContact CG-CE2 3.45Å; F598-Y754 HydrophobicContact CG-CE2 3.45Å; F598-Y754 VanDerWaalsContact CG-CE2 3.45Å; F598-D755 CarbonylContact C-O 3.56Å; F598-D755 WeakPolarHBondContact CA-O 3.26Å; F598-D755 VanDerWaalsContact CB-O 3.29Å; F598-D755 WeakPolarHBondContact CB-O 3.27Å
599R93.6Very high93.2Very high49 Ų4922.4 Ų22.419%0.18512%0.119CC..EExtended strand (participates in β ladder)trans-97.1141.1169.4-57.8171.661.3153.20.7108.9E588 L589 V590 T753 D755 V758E588-R599 HydrophobicContact CG-CB 4.39Å; E588-R599 WeakPolarHBondContact OE1-CB 3.49Å; E588-R599 IonicContact OE1-CZ 2.66Å; E588-R599 VanDerWaalsContact OE1-CZ 3.25Å; E588-R599 IonicContact OE1-NE 3.66Å; E588-R599 PolarHBondContact OE1-NE 3.25Å; E588-R599 IonicContact OE1-NH2 3.29Å; E588-R599 PolarHBondContact OE1-NH2 3.47Å; E588-R599 VanDerWaalsContact OE1-NH2 3.09Å; E588-R599 IonicContact OE2-CZ 2.77Å; E588-R599 IonicContact OE2-NE 2.75Å; E588-R599 IonicContact OE2-NH2 3.57Å; E588-R599 PolarHBondContact OE2-NH2 3.19Å; L589-R599 WeakPolarHBondContact O-CA 3.45Å; V590-R599 HydrophobicContact CG2-CG 4.23Å; R599-T753 VanDerWaalsContact O-O 3.04Å; R599-D755 HydrophobicContact CB-CB 4.34Å; R599-D755 PolarHBondContact N-O 3.29Å; R599-D755 PolarHBondContact O-N 2.79Å; R599-V758 HydrophobicContact CG-CG2 4.24Å
600A94.2Very high93Very high1 Ų124 Ų241%0.00813%0.132CC..EExtended strand (participates in β ladder)trans-162.7163.6173.600000112.3L589 F591 F598 P602 V629L589-A600 PolarHBondContact N-O 2.89Å; L589-A600 PolarHBondContact O-N 2.88Å; F591-A600 HydrophobicContact CD2-CB 4.17Å; F591-A600 HydrophobicContact CE2-CB 4.03Å; F598-A600 HydrophobicContact CD2-CB 4.02Å; F598-A600 HydrophobicContact CE2-CB 4.1Å; A600-P602 WeakPolarHBondContact O-CD 3.42Å; A600-V629 HydrophobicContact CB-CG2 3.33Å
601S94.3Very high92.8Very high13 Ų1330.1 Ų30.19%0.09117%0.165CC..  trans-103.196178.1-52.50000111.2T753S601-T753 VanDerWaalsContact CB-OG1 3.25Å; S601-T753 WeakPolarHBondContact CB-OG1 3.33Å; S601-T753 PolarHBondContact N-OG1 3.46Å; S601-T753 PolarHBondContact OG-OG1 2.81Å
602P95.4Very high92.8Very high0 Ų030.5 Ų30.50%017%0.167CC..  trans-73.5163-177.628.8-39000114.9K586 E587 L589 F591 A600 F604 V627K586-P602 VanDerWaalsContact CA-O 3.29Å; K586-P602 WeakPolarHBondContact CA-O 3.29Å; K586-P602 PolarHBondContact N-O 2.89Å; E587-P602 WeakPolarHBondContact O-CD 3.36Å; L589-P602 HydrophobicContact CD1-CG 3.96Å; L589-P602 HydrophobicContact CG-CG 4.44Å; F591-P602 HydrophobicContact CE2-CG 4.34Å; F591-P602 HydrophobicContact CZ-CB 3.84Å; F591-P602 HydrophobicContact CZ-CG 3.75Å; A600-P602 WeakPolarHBondContact O-CD 3.42Å; P602-F604 HydrophobicContact CB-CE1 4.05Å; P602-F604 HydrophobicContact CG-CE1 3.7Å; P602-F604 HydrophobicContact CG-CZ 4.15Å; P602-V627 HydrophobicContact CB-CG1 3.29Å; P602-V627 HydrophobicContact CG-CG1 4.27Å
603I96.2Very high92.9Very high1 Ų130.8 Ų30.81%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-110.3132161.6-65-177.9000110.2K586 M615 V627 S628 V668 V748 Y749 P750K586-I603 HydrophobicContact CG-CG1 4.26Å; I603-M615 HydrophobicContact CG2-CE 4.13Å; I603-M615 HydrophobicContact CG2-CG 3.88Å; I603-M615 HydrophobicContact CG2-SD 4.28Å; I603-V627 CarbonylContact O-C 3.54Å; I603-V627 WeakPolarHBondContact O-CA 3.48Å; I603-S628 PolarHBondContact N-O 3.45Å; I603-S628 PolarHBondContact O-N 3.22Å; I603-V668 HydrophobicContact CG2-CG1 3.88Å; I603-V748 HydrophobicContact CD1-CB 4.42Å; I603-V748 HydrophobicContact CD1-CG1 3.67Å; I603-Y749 WeakPolarHBondContact CD1-O 3.35Å; I603-P750 HydrophobicContact CD1-CB 4.35Å; I603-P750 VanDerWaalsContact CD1-N 3.34Å; I603-P750 HydrophobicContact CG1-CB 4.45Å
604F96.2Very high93.1Very high1 Ų131.7 Ų31.70%0.00417%0.172CC..EExtended strand (participates in β ladder)trans-88.8137174-51.8-34.6000111.3I583 S585 L589 P602 M615 E616 L619 T625 V627I583-F604 HydrophobicContact CG2-CE2 4.18Å; I583-F604 HydrophobicContact CG2-CZ 4.11Å; S585-F604 WeakPolarHBondContact OG-CB 3.41Å; S585-F604 WeakPolarHBondContact OG-CD2 3.47Å; S585-F604 WeakPolarHBondContact OG-CG 3.38Å; S585-F604 PolarHBondContact OG-N 3.07Å; L589-F604 HydrophobicContact CD1-CZ 4.25Å; P602-F604 HydrophobicContact CB-CE1 4.05Å; P602-F604 HydrophobicContact CG-CE1 3.7Å; P602-F604 HydrophobicContact CG-CZ 4.15Å; F604-M615 CarbonylContact O-C 3.37Å; F604-M615 WeakPolarHBondContact O-CA 3.22Å; F604-M615 WeakPolarHBondContact O-CG 3.29Å; F604-E616 HydrophobicContact CB-CB 4.3Å; F604-E616 PolarHBondContact O-N 2.91Å; F604-L619 HydrophobicContact CD2-CB 4.26Å; F604-L619 HydrophobicContact CE2-CB 4.01Å; F604-L619 HydrophobicContact CZ-CB 4.48Å; F604-T625 HydrophobicContact CB-CG2 3.8Å; F604-T625 HydrophobicContact CG-CG2 4.48Å; F604-V627 HydrophobicContact CD1-CG2 3.68Å; F604-V627 HydrophobicContact CE1-CG2 3.81Å
605S95.7Very high93.5Very high0 Ų032 Ų320%017%0.171CC..EExtended strand (participates in β ladder)trans-143.5153.6179.864.60000111.4K614 T625 V626S605-K614 CarbonylContact C-O 3.57Å; S605-K614 VanDerWaalsContact CA-O 3.29Å; S605-K614 WeakPolarHBondContact CA-O 3.35Å; S605-T625 WeakPolarHBondContact O-CG2 3.49Å; S605-V626 PolarHBondContact N-O 3.4Å; S605-V626 PolarHBondContact O-N 3.4Å; S605-V626 WeakPolarHBondContact OG-CB 3.31Å; S605-V626 PolarHBondContact OG-O 2.99Å
606Q94.4Very high93.7Very high52 Ų5232.1 Ų32.124%0.24317%0.172CC..EExtended strand (participates in β ladder)trans-66.2142.4176.5-66.9-173.9-13.500111.8T608 H613 K614 E616 R666Q606-T608 HydrophobicContact CB-CG2 4.2Å; Q606-T608 PolarHBondContact O-N 3.04Å; Q606-H613 PolarHBondContact O-ND1 3.21Å; Q606-K614 HydrophobicContact CG-CB 4.21Å; Q606-K614 PolarHBondContact N-O 3.05Å; Q606-E616 HydrophobicContact CG-CG 4.04Å; Q606-E616 WeakPolarHBondContact CG-OE1 3.38Å; Q606-E616 PolarHBondContact NE2-OE1 3.15Å; Q606-R666 PolarHBondContact O-NH2 3.4Å
607H94.3Very high93.8Very high87 Ų8735 Ų3540%0.40318%0.183SC..  trans-82.295.6170.6-168.355.7000110L572 V626L572-H607 HydrophobicContact CD1-CB 3.99Å; H607-V626 HydrophobicContact CB-CG2 3.85Å; H607-V626 WeakPolarHBondContact ND1-CG2 3.43Å
608T92.4Very high93.9Very high51 Ų5134.9 Ų34.931%0.31318%0.183SC..  trans-125.8160.6177.155.30000110.6Q606 H613Q606-T608 HydrophobicContact CB-CG2 4.2Å; Q606-T608 PolarHBondContact O-N 3.04Å; T608-H613 PolarHBondContact O-CE1 3.42Å; T608-H613 VanDerWaalsContact O-CE1 3.23Å; T608-H613 PolarHBondContact OG1-CE1 2.96Å; T608-H613 PolarHBondContact OG1-ND1 3.44Å
609T90.4Very high93.9Very high155 Ų15534.9 Ų34.995%0.95118%0.183SC*.SBendtrans-85.3-14.9175.751.10000113.9
610A90.3Very high93.7Very high34 Ų3436.5 Ų36.528%0.28119%0.19SC..SBendtrans-73.8159176.200000112K612 H613A610-K612 VanDerWaalsContact C-N 3.31Å; A610-K612 PolarHBondContact O-N 2.8Å; A610-H613 PolarHBondContact O-CE1 3.26Å; A610-H613 PolarHBondContact O-NE2 3.12Å
611D89.7Confident93.5Very high133 Ų13340.2 Ų40.271%0.71121%0.214SC*.SBendtrans-67.8-29.1-177.2-49.5-43.8000113.9V667D611-V667 PolarHBondContact O-N 3.12Å
612K93.9Very high93.1Very high8 Ų847 Ų474%0.03525%0.249CC..EExtended strand (participates in β ladder)trans-97131.2177.7-67.3148.8-74.31680109.7F485 R486 S488 W490 A610 V667 L669F485-K612 HydrophobicContact CE1-CB 4.04Å; F485-K612 WeakPolarHBondContact CE1-O 3.42Å; F485-K612 HydrophobicContact CE2-CB 4.33Å; F485-K612 HydrophobicContact CZ-CB 3.82Å; F485-K612 VanDerWaalsContact O-CE 3.26Å; F485-K612 WeakPolarHBondContact O-CE 3.46Å; F485-K612 PolarHBondContact O-NZ 2.74Å; R486-K612 VanDerWaalsContact C-NZ 3.27Å; R486-K612 PolarHBondContact O-NZ 2.7Å; S488-K612 WeakPolarHBondContact O-CE 3.43Å; S488-K612 PolarHBondContact O-NZ 2.81Å; W490-K612 HydrophobicContact CB-CD 4.02Å; W490-K612 HydrophobicContact CB-CG 4.13Å; A610-K612 VanDerWaalsContact C-N 3.31Å; A610-K612 PolarHBondContact O-N 2.8Å; K612-V667 HydrophobicContact CG-CG1 4.46Å; K612-L669 HydrophobicContact CB-CD1 4.07Å; K612-L669 HydrophobicContact CD-CD1 4.23Å; K612-L669 HydrophobicContact CG-CD1 3.88Å
613H95.5Very high92.8Very high8 Ų848 Ų484%0.03726%0.257CS..EExtended strand (participates in β ladder)trans-118.8129.1178.8-55.4-74.1000110Q606 T608 A610 M615 R666 V667 V668 L669Q606-H613 PolarHBondContact O-ND1 3.21Å; T608-H613 PolarHBondContact O-CE1 3.42Å; T608-H613 VanDerWaalsContact O-CE1 3.23Å; T608-H613 PolarHBondContact OG1-CE1 2.96Å; T608-H613 PolarHBondContact OG1-ND1 3.44Å; A610-H613 PolarHBondContact O-CE1 3.26Å; A610-H613 PolarHBondContact O-NE2 3.12Å; H613-M615 PolarHBondContact O-N 2.96Å; H613-R666 WeakPolarHBondContact CD2-CG 3.44Å; H613-R666 PolarHBondContact CD2-NE 2.96Å; H613-R666 PolarHBondContact CE1-NH1 3.07Å; H613-R666 PolarHBondContact CE1-NH2 3.09Å; H613-R666 VanDerWaalsContact CG-NH2 3.34Å; H613-R666 PolarHBondContact ND1-NH2 3.16Å; H613-R666 PolarHBondContact NE2-NH1 2.91Å; H613-R666 VanDerWaalsContact NE2-NH1 3.2Å; H613-V667 PolarHBondContact N-O 2.9Å; H613-V668 WeakPolarHBondContact O-CA 3.31Å; H613-L669 PolarHBondContact O-N 3.38Å
614K95.5Very high92.7Very high20 Ų2050.1 Ų50.19%0.08727%0.271CS..EExtended strand (participates in β ladder)trans-70.4128.6175.5-171.8-155.4169-1490108.5D462 F485 S605 Q606 E616D462-K614 WeakPolarHBondContact OD2-CE 3.25Å; D462-K614 IonicContact OD2-NZ 2.84Å; D462-K614 PolarHBondContact OD2-NZ 3.37Å; F485-K614 HydrophobicContact CE1-CB 4.5Å; F485-K614 HydrophobicContact CZ-CB 4.14Å; S605-K614 CarbonylContact C-O 3.57Å; S605-K614 VanDerWaalsContact CA-O 3.29Å; S605-K614 WeakPolarHBondContact CA-O 3.35Å; Q606-K614 HydrophobicContact CG-CB 4.21Å; Q606-K614 PolarHBondContact N-O 3.05Å; K614-E616 IonicContact NZ-OE1 3.83Å; K614-E616 IonicContact NZ-OE2 2.79Å; K614-E616 PolarHBondContact NZ-OE2 2.96Å
615M95.9Very high92.7Very high14 Ų1450 Ų507%0.06927%0.271CS..EExtended strand (participates in β ladder)trans-68135.4169.6-174-174.3172.700109.6I603 F604 H613 V668 L669 K670 V748I603-M615 HydrophobicContact CG2-CE 4.13Å; I603-M615 HydrophobicContact CG2-CG 3.88Å; I603-M615 HydrophobicContact CG2-SD 4.28Å; F604-M615 CarbonylContact O-C 3.37Å; F604-M615 WeakPolarHBondContact O-CA 3.22Å; F604-M615 WeakPolarHBondContact O-CG 3.29Å; H613-M615 PolarHBondContact O-N 2.96Å; M615-V668 HydrophobicContact CB-CG1 3.88Å; M615-V668 HydrophobicContact CG-CG1 4.35Å; M615-L669 WeakPolarHBondContact CB-O 3.22Å; M615-L669 PolarHBondContact N-O 3.47Å; M615-K670 HydrophobicContact CB-CB 4.36Å; M615-K670 HydrophobicContact SD-CB 3.9Å; M615-K670 HydrophobicContact SD-CD 4.35Å; M615-K670 HydrophobicContact SD-CG 4.21Å; M615-V748 HydrophobicContact SD-CB 4.33Å; M615-V748 HydrophobicContact SD-CG1 4.33Å; M615-V748 HydrophobicContact SD-CG2 4.27Å
616E94.6Very high92.7Very high11 Ų1150 Ų505%0.05127%0.271CS..EExtended strand (participates in β ladder)trans-100.8139.4168.8-61.5-65.7-169.700110.1S585 F604 Q606 K614S585-E616 WeakPolarHBondContact CB-O 3.39Å; S585-E616 PolarHBondContact OG-O 3.33Å; F604-E616 HydrophobicContact CB-CB 4.3Å; F604-E616 PolarHBondContact O-N 2.91Å; Q606-E616 HydrophobicContact CG-CG 4.04Å; Q606-E616 WeakPolarHBondContact CG-OE1 3.38Å; Q606-E616 PolarHBondContact NE2-OE1 3.15Å; K614-E616 IonicContact NZ-OE1 3.83Å; K614-E616 IonicContact NZ-OE2 2.79Å; K614-E616 PolarHBondContact NZ-OE2 2.96Å
617R93.3Very high92.8Very high68 Ų6847.6 Ų47.626%0.25726%0.259SS..SBendtrans-76.4-32.2178.9-64.9-168.7-174.5-166.72.1112.2D462 K584 S585D462-R617 IonicContact OD1-NE 3.66Å; K584-R617 CarbonylContact C-O 3.59Å; K584-R617 WeakPolarHBondContact CA-O 3.41Å; S585-R617 PolarHBondContact N-O 3.38Å
618F93.7Very high92.9Very high24 Ų2443.6 Ų43.611%0.10524%0.241CC..BIsolated β-bridgetrans-126.7156.4179.7-64-82000111E453 A454 H457 P582 I583 K584 R620E453-F618 HydrophobicContact CB-CZ 4.01Å; A454-F618 HydrophobicContact CB-CD1 4.41Å; A454-F618 HydrophobicContact CB-CE1 4.22Å; A454-F618 HydrophobicContact CB-CE2 4.36Å; A454-F618 HydrophobicContact CB-CZ 4.2Å; H457-F618 HydrophobicContact CB-CD2 4.1Å; H457-F618 HydrophobicContact CB-CE2 3.95Å; H457-F618 AromaticContact ND1-CD2 3.91Å; P582-F618 HydrophobicContact CB-CD1 4.27Å; I583-F618 VanDerWaalsContact O-CA 3.25Å; I583-F618 WeakPolarHBondContact O-CA 3.35Å; K584-F618 HydrophobicContact CB-CD1 4.33Å; K584-F618 HydrophobicContact CB-CE1 4.13Å; K584-F618 HydrophobicContact CD-CE1 4.49Å; K584-F618 HydrophobicContact CG-CE1 4.18Å; F618-R620 PolarHBondContact O-N 2.79Å
619L92.8Very high93Very high3 Ų341.2 Ų41.22%0.01623%0.226CC..  trans-72.4119.8172.9-17665.7000110.6V573 R575 I583 F604 T625 V654 A655V573-L619 HydrophobicContact CG2-CD1 4.25Å; R575-L619 HydrophobicContact CB-CD2 4.04Å; R575-L619 HydrophobicContact CB-CG 4.34Å; R575-L619 HydrophobicContact CG-CD2 4.08Å; I583-L619 HydrophobicContact CB-CB 4.46Å; I583-L619 PolarHBondContact O-N 3.25Å; F604-L619 HydrophobicContact CD2-CB 4.26Å; F604-L619 HydrophobicContact CE2-CB 4.01Å; F604-L619 HydrophobicContact CZ-CB 4.48Å; L619-T625 HydrophobicContact CD1-CG2 4.24Å; L619-V654 HydrophobicContact CD2-CG1 3.72Å; L619-A655 HydrophobicContact CD2-CB 4.12Å
620R90Very high93.3Very high83 Ų8333.9 Ų33.931%0.31318%0.181SC..  trans-73.6137.6-179.7-62-171.7-59.1166.53111.4F618 A623 P624F618-R620 PolarHBondContact O-N 2.79Å; R620-A623 VanDerWaalsContact NH2-CB 3.3Å; R620-P624 PolarHBondContact NH2-O 3.42Å
621P88.3Confident93.5Very high79 Ų7932.3 Ų32.351%0.51317%0.168SC..SBendtrans-74.4-42.4176.327.8-31.6000112.9
622D86.3Confident93.7Very high155 Ų15526.1 Ų26.183%0.82914%0.135SC*.SBendtrans-88.9-11.3-165.1-51.9-40.8000114.8
623A89.9Confident93.7Very high22 Ų2225.7 Ų25.718%0.18213%0.133CC..SBendtrans-137.1141.9-168.500000112.7R620 T625R620-A623 VanDerWaalsContact NH2-CB 3.3Å; A623-T625 PolarHBondContact O-N 2.9Å; A623-T625 PolarHBondContact O-OG1 3.1Å
624P93.8Very high93.6Very high44 Ų4425.5 Ų25.529%0.28613%0.132SC..  trans-61.4138.1175.228.2-34.3000110.1L572 V573 Q574 R620L572-P624 HydrophobicContact CD1-CB 3.98Å; L572-P624 HydrophobicContact CG-CB 4.39Å; V573-P624 WeakPolarHBondContact O-CA 3.37Å; Q574-P624 HydrophobicContact CG-CB 3.82Å; R620-P624 PolarHBondContact NH2-O 3.42Å
625T95.3Very high93.4Very high0 Ų024.6 Ų24.60%013%0.128CC..EExtended strand (participates in β ladder)trans-125.8140.3-176.1-60.20000108.1V573 F604 S605 L619 A623V573-T625 WeakPolarHBondContact CG2-O 3.49Å; V573-T625 PolarHBondContact N-O 3.49Å; V573-T625 PolarHBondContact O-N 2.97Å; F604-T625 HydrophobicContact CB-CG2 3.8Å; F604-T625 HydrophobicContact CG-CG2 4.48Å; S605-T625 WeakPolarHBondContact O-CG2 3.49Å; L619-T625 HydrophobicContact CD1-CG2 4.24Å; A623-T625 PolarHBondContact O-N 2.9Å; A623-T625 PolarHBondContact O-OG1 3.1Å
626V96.5Very high93.2Very high0 Ų024.2 Ų24.20%013%0.127CC..EExtended strand (participates in β ladder)trans-92.8120.7177177.20000109.2H570 L571 L572 S605 H607 L660H570-V626 HydrophobicContact CB-CG1 4.06Å; L571-V626 CarbonylContact O-C 3.36Å; L571-V626 VanDerWaalsContact O-CA 3.3Å; L571-V626 WeakPolarHBondContact O-CA 3.36Å; L572-V626 HydrophobicContact CD1-CG2 3.81Å; S605-V626 PolarHBondContact N-O 3.4Å; S605-V626 PolarHBondContact O-N 3.4Å; S605-V626 WeakPolarHBondContact OG-CB 3.31Å; S605-V626 PolarHBondContact OG-O 2.99Å; H607-V626 HydrophobicContact CB-CG2 3.85Å; H607-V626 WeakPolarHBondContact ND1-CG2 3.43Å; V626-L660 HydrophobicContact CG2-CD2 4.43Å
627V96.1Very high93Very high0 Ų026.4 Ų26.40%014%0.143CC..EExtended strand (participates in β ladder)trans-92.6127.4174169.70000109H570 L571 V573 F591 P602 I603 F604 L642H570-V627 CarbonylContact C-O 3.59Å; H570-V627 WeakPolarHBondContact CA-O 3.15Å; L571-V627 HydrophobicContact CB-CB 4.19Å; L571-V627 HydrophobicContact CD1-CB 4.48Å; L571-V627 HydrophobicContact CD1-CG1 4.09Å; L571-V627 PolarHBondContact N-O 2.93Å; L571-V627 PolarHBondContact O-N 3.27Å; V573-V627 HydrophobicContact CB-CG2 4.46Å; V573-V627 HydrophobicContact CG1-CG2 4.14Å; V573-V627 HydrophobicContact CG2-CG2 3.44Å; V573-V627 VanDerWaalsContact CG2-CG2 3.44Å; F591-V627 HydrophobicContact CE1-CG1 3.87Å; F591-V627 HydrophobicContact CZ-CG1 4.07Å; P602-V627 HydrophobicContact CB-CG1 3.29Å; P602-V627 HydrophobicContact CG-CG1 4.27Å; I603-V627 CarbonylContact O-C 3.54Å; I603-V627 WeakPolarHBondContact O-CA 3.48Å; F604-V627 HydrophobicContact CD1-CG2 3.68Å; F604-V627 HydrophobicContact CE1-CG2 3.81Å; V627-L642 HydrophobicContact CG2-CD2 4.13Å
628S96.1Very high92.9Very high3 Ų323.3 Ų23.32%0.02113%0.131CC..EExtended strand (participates in β ladder)trans-116.3131.5175.8-53.20000110.8M569 H570 I603M569-S628 WeakPolarHBondContact O-CA 3.49Å; H570-S628 PolarHBondContact CE1-OG 3.14Å; H570-S628 PolarHBondContact ND1-OG 2.9Å; I603-S628 PolarHBondContact N-O 3.45Å; I603-S628 PolarHBondContact O-N 3.22Å
629V95.8Very high92.8Very high1 Ų123.1 Ų23.11%0.00614%0.136CC..EExtended strand (participates in β ladder)trans-152.9152.3-174.468.60000111.1M569 L571 F598 A600 A631M569-V629 HydrophobicContact CB-CG1 4.43Å; M569-V629 PolarHBondContact N-O 3.39Å; M569-V629 PolarHBondContact O-N 3.23Å; M569-V629 VanDerWaalsContact O-N 3.1Å; L571-V629 HydrophobicContact CD1-CG1 4.37Å; F598-V629 HydrophobicContact CE2-CG1 4.49Å; A600-V629 HydrophobicContact CB-CG2 3.33Å; V629-A631 HydrophobicContact CG1-CB 4.32Å
630Y95.4Very high92.8Very high2 Ų223 Ų231%0.00814%0.135CC..EExtended strand (participates in β ladder)trans-78.1122167.6-60.1-64.5000109.4D499 Y500 I503 S567 V568 P750 R751 W752D499-Y630 HydrophobicContact CB-CE2 4.36Å; Y500-Y630 HydrophobicContact CD2-CE1 4.17Å; Y500-Y630 VanDerWaalsContact CD2-OH 3.26Å; Y500-Y630 WeakPolarHBondContact CD2-OH 3.14Å; Y500-Y630 AromaticContact CE2-CE1 3.92Å; Y500-Y630 HydrophobicContact CE2-CE1 3.92Å; Y500-Y630 AromaticContact CE2-CZ 3.96Å; Y500-Y630 WeakPolarHBondContact CE2-OH 3.25Å; I503-Y630 HydrophobicContact CG2-CD1 4.08Å; I503-Y630 HydrophobicContact CG2-CE1 4.32Å; S567-Y630 WeakPolarHBondContact O-CA 3.3Å; V568-Y630 HydrophobicContact CG2-CD1 3.71Å; V568-Y630 HydrophobicContact CG2-CE1 3.58Å; Y630-P750 HydrophobicContact CD1-CG 4.31Å; Y630-P750 HydrophobicContact CD2-CB 4.15Å; Y630-P750 HydrophobicContact CD2-CG 3.95Å; Y630-P750 HydrophobicContact CE1-CG 4.06Å; Y630-P750 HydrophobicContact CE2-CB 4.11Å; Y630-P750 HydrophobicContact CE2-CG 3.73Å; Y630-P750 WeakPolarHBondContact CE2-O 2.97Å; Y630-P750 HydrophobicContact CG-CG 4.25Å; Y630-R751 WeakPolarHBondContact CD2-O 3.23Å; Y630-W752 HydrophobicContact CD1-CE3 4.35Å; Y630-W752 HydrophobicContact CD1-CZ3 4.38Å; Y630-W752 HydrophobicContact CD2-CB 4.39Å; Y630-W752 AromaticContact CD2-CE3 3.9Å; Y630-W752 HydrophobicContact CD2-CE3 3.9Å; Y630-W752 HydrophobicContact CE2-CE3 4.3Å; Y630-W752 AromaticContact CG-CE3 3.92Å; Y630-W752 HydrophobicContact CG-CE3 3.92Å; Y630-W752 HydrophobicContact CG-CZ3 4.27Å
631A94.4Very high93Very high0 Ų019.1 Ų19.10%012%0.121CC..EExtended strand (participates in β ladder)trans-159.8160.9178.600000110.9S567 M569 F598 V629 I633 Y754S567-A631 PolarHBondContact N-O 3.35Å; S567-A631 VanDerWaalsContact N-O 3.11Å; S567-A631 PolarHBondContact O-N 3.49Å; M569-A631 HydrophobicContact CG-CB 4.03Å; M569-A631 HydrophobicContact SD-CB 3.39Å; M569-A631 WeakPolarHBondContact SD-CB 3.35Å; F598-A631 HydrophobicContact CE1-CB 4.12Å; F598-A631 HydrophobicContact CE2-CB 3.78Å; F598-A631 HydrophobicContact CZ-CB 3.5Å; F598-A631 VanDerWaalsContact CZ-CB 3.5Å; V629-A631 HydrophobicContact CG1-CB 4.32Å; A631-I633 PolarHBondContact O-N 3.34Å; A631-Y754 HydrophobicContact CB-CD2 4.44Å
632P94.3Very high93.3Very high3 Ų315.3 Ų15.32%0.01910%0.096CC..EExtended strand (participates in β ladder)trans-61.4133.5177.6-23.232.9000111.6K565 M566 T634 Y754K565-P632 WeakPolarHBondContact O-CA 3.49Å; M566-P632 HydrophobicContact SD-CB 4.45Å; M566-P632 VanDerWaalsContact SD-CD 3.51Å; M566-P632 HydrophobicContact SD-CG 3.76Å; M566-P632 VanDerWaalsContact SD-N 3.41Å; P632-T634 PolarHBondContact O-N 2.85Å; P632-T634 PolarHBondContact O-OG1 3.35Å; P632-Y754 HydrophobicContact CG-CE1 4.28Å; P632-Y754 HydrophobicContact CG-CE2 3.99Å; P632-Y754 WeakPolarHBondContact CG-OH 3.34Å
633I94.1Very high93.7Very high0 Ų08 Ų80%06%0.057CC..  trans-55.2131-175.7-66.8155.2000110.1F506 E563 K565 S567 A631 F635 C662F506-I633 HydrophobicContact CE2-CD1 3.5Å; F506-I633 HydrophobicContact CE2-CG1 4.09Å; F506-I633 HydrophobicContact CE2-CG2 3.91Å; F506-I633 HydrophobicContact CZ-CD1 3.74Å; F506-I633 HydrophobicContact CZ-CG2 4.07Å; E563-I633 CarbonylContact C-O 3.57Å; E563-I633 WeakPolarHBondContact CA-O 3.46Å; E563-I633 VanDerWaalsContact CB-O 3.31Å; E563-I633 WeakPolarHBondContact CB-O 3.18Å; E563-I633 WeakPolarHBondContact CG-O 3.22Å; K565-I633 HydrophobicContact CB-CD1 3.97Å; K565-I633 WeakPolarHBondContact O-CD1 2.89Å; K565-I633 WeakPolarHBondContact O-CG1 3.36Å; K565-I633 PolarHBondContact O-N 3.19Å; S567-I633 VanDerWaalsContact CB-CG1 3.41Å; A631-I633 PolarHBondContact O-N 3.34Å; I633-F635 HydrophobicContact CG2-CE1 4.48Å; I633-F635 HydrophobicContact CG2-CZ 4.44Å; I633-C662 HydrophobicContact CG2-CB 4.45Å
634T92.6Very high93.7Very high3 Ų38.3 Ų8.32%0.0185%0.054CC..  trans-126.4133.9172.2-59.30000108.5F199 P632 P636 A638 L659F199-T634 HydrophobicContact CE2-CG2 3.76Å; F199-T634 HydrophobicContact CZ-CG2 4.24Å; P632-T634 PolarHBondContact O-N 2.85Å; P632-T634 PolarHBondContact O-OG1 3.35Å; T634-P636 WeakPolarHBondContact O-CD 3.17Å; T634-A638 HydrophobicContact CG2-CB 4.27Å; T634-L659 HydrophobicContact CG2-CD2 4.15Å; T634-L659 WeakPolarHBondContact O-CD2 3.5Å
635F92.8Very high93.4Very high1 Ų18.7 Ų8.70%0.0045%0.052CC..PPolyproline II helixtrans-81.7126.2178.8-67-69.7000112.2R203 F506 F509 R513 I516 L560 P561 E563 I633R203-F635 PolarHBondContact NH2-O 2.96Å; F506-F635 HydrophobicContact CZ-CE1 4.42Å; F506-F635 HydrophobicContact CZ-CZ 4.33Å; F509-F635 AromaticContact CE2-CD1 3.97Å; F509-F635 HydrophobicContact CE2-CD1 3.97Å; F509-F635 HydrophobicContact CE2-CE1 4.02Å; F509-F635 HydrophobicContact CZ-CD1 4.23Å; R513-F635 HydrophobicContact CB-CD1 3.94Å; R513-F635 HydrophobicContact CB-CE1 4.31Å; R513-F635 HydrophobicContact CG-CD1 4.03Å; I516-F635 HydrophobicContact CD1-CE1 4.26Å; I516-F635 HydrophobicContact CD1-CE2 3.92Å; I516-F635 HydrophobicContact CD1-CZ 3.5Å; L560-F635 HydrophobicContact CB-CD2 3.99Å; L560-F635 HydrophobicContact CB-CE2 4.14Å; L560-F635 HydrophobicContact CD1-CB 4.39Å; L560-F635 HydrophobicContact CD1-CD2 3.84Å; P561-F635 WeakPolarHBondContact O-CE2 3.25Å; E563-F635 HydrophobicContact CG-CD2 3.62Å; E563-F635 HydrophobicContact CG-CE2 3.72Å; E563-F635 WeakPolarHBondContact OE1-CD2 3.48Å; E563-F635 PolarHBondContact OE1-N 2.98Å; E563-F635 VanDerWaalsContact OE1-N 3.08Å; I633-F635 HydrophobicContact CG2-CE1 4.48Å; I633-F635 HydrophobicContact CG2-CZ 4.44Å
636P91.6Very high92.7Very high7 Ų714.4 Ų14.45%0.0457%0.074CC..SBendtrans-60.3155.4174.9-20.927.9000112.7F509 R513 T634 L659F509-P636 HydrophobicContact CE1-CG 4.09Å; F509-P636 HydrophobicContact CZ-CG 4.08Å; R513-P636 PolarHBondContact NE-O 2.81Å; R513-P636 PolarHBondContact NH2-O 3.48Å; T634-P636 WeakPolarHBondContact O-CD 3.17Å; P636-L659 HydrophobicContact CG-CD2 3.98Å; P636-L659 HydrophobicContact CG-CG 4.04Å
637P89.7Confident91.5Very high57 Ų5721.3 Ų21.337%0.3711%0.111SC..PPolyproline II helixcis-84.1135.91.332.7-32.9000111.9F199F199-P637 VanDerWaalsContact CB-O 3.27Å; F199-P637 WeakPolarHBondContact CB-O 3.45Å; F199-P637 WeakPolarHBondContact CD2-O 3.31Å
638A90.7Very high90.3Very high3 Ų325.7 Ų25.73%0.02513%0.134CC..  trans-135.3133.7171.800000109.3F199 T634 S658 L659F199-A638 HydrophobicContact CD2-CB 3.67Å; F199-A638 HydrophobicContact CE2-CB 3.67Å; F199-A638 HydrophobicContact CG-CB 4.41Å; F199-A638 HydrophobicContact CZ-CB 4.39Å; T634-A638 HydrophobicContact CG2-CB 4.27Å; A638-S658 WeakPolarHBondContact O-CA 3.46Å; A638-L659 HydrophobicContact CB-CB 4.07Å; A638-L659 HydrophobicContact CB-CD2 4.24Å; A638-L659 PolarHBondContact O-N 2.95Å
639G91.7Very high89.1Confident19 Ų1926 Ų2620%0.19614%0.138CC..EExtended strand (participates in β ladder)trans-72.6144.8171.600000110.2G594G594-G639 PolarHBondContact N-O 3.09Å
640V94Very high88.4Confident0 Ų028.1 Ų28.10%015%0.151CC..EExtended strand (participates in β ladder)trans-130.2130.1-174.1-177.40000109.7L571 H592 L642 G657 L659L571-V640 HydrophobicContact CB-CG1 4.4Å; L571-V640 HydrophobicContact CD1-CG1 4.07Å; L571-V640 HydrophobicContact CD2-CB 4.43Å; L571-V640 HydrophobicContact CD2-CG1 4.03Å; L571-V640 HydrophobicContact CD2-CG2 3.57Å; L571-V640 HydrophobicContact CG-CG1 4.4Å; H592-V640 CarbonylContact O-C 3.46Å; H592-V640 VanDerWaalsContact O-CA 3.26Å; H592-V640 WeakPolarHBondContact O-CA 3.2Å; V640-L642 HydrophobicContact CG1-CD1 3.58Å; V640-G657 PolarHBondContact N-O 2.9Å; V640-G657 PolarHBondContact O-N 2.89Å; V640-L659 HydrophobicContact CG2-CB 4.3Å
641L94.4Very high88Confident2 Ų228.2 Ų28.21%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-119.7138.3170.5-48.9169.7000109L100 C129 A132 Q133 H592 F643 L653 T656L100-L641 HydrophobicContact CD1-CD1 4.05Å; L100-L641 HydrophobicContact CD2-CD1 4.46Å; C129-L641 HydrophobicContact CB-CD1 4.26Å; A132-L641 HydrophobicContact CB-CD2 3.32Å; Q133-L641 HydrophobicContact CB-CD1 4.46Å; H592-L641 HydrophobicContact CB-CB 4.09Å; H592-L641 HydrophobicContact CB-CD1 4.45Å; H592-L641 HydrophobicContact CB-CG 4.5Å; H592-L641 PolarHBondContact N-O 2.91Å; H592-L641 PolarHBondContact O-N 3.35Å; L641-F643 HydrophobicContact CB-CD2 4.26Å; L641-F643 HydrophobicContact CB-CE2 3.56Å; L641-F643 HydrophobicContact CB-CZ 4.09Å; L641-F643 HydrophobicContact CD1-CE2 3.96Å; L641-F643 HydrophobicContact CD1-CZ 3.97Å; L641-F643 HydrophobicContact CG-CE2 4.4Å; L641-L653 HydrophobicContact CB-CD1 4.31Å; L641-L653 HydrophobicContact CD2-CD1 4.32Å; L641-T656 HydrophobicContact CD2-CG2 4.09Å
642L94.6Very high87.7Confident0 Ų030.4 Ų30.40%016%0.163CC..EExtended strand (participates in β ladder)trans-113125.1172.1-8363.6000107.9V573 L589 V590 F591 V627 V640 V654 A655V573-L642 HydrophobicContact CG1-CD1 3.83Å; V573-L642 HydrophobicContact CG1-CD2 4.37Å; L589-L642 HydrophobicContact CD1-CD2 3.87Å; L589-L642 HydrophobicContact CD1-CG 4.47Å; V590-L642 WeakPolarHBondContact O-CA 3.43Å; F591-L642 HydrophobicContact CD1-CD1 3.83Å; F591-L642 HydrophobicContact CD1-CG 3.96Å; F591-L642 HydrophobicContact CE1-CD1 3.79Å; F591-L642 HydrophobicContact CE1-CD2 3.91Å; F591-L642 HydrophobicContact CE1-CG 3.67Å; F591-L642 HydrophobicContact CZ-CD2 4.32Å; F591-L642 HydrophobicContact CZ-CG 4.29Å; V627-L642 HydrophobicContact CG2-CD2 4.13Å; V640-L642 HydrophobicContact CG1-CD1 3.58Å; L642-V654 HydrophobicContact CB-CB 4.38Å; L642-V654 WeakPolarHBondContact O-CB 3.23Å; L642-V654 PolarHBondContact O-N 3.45Å; L642-A655 HydrophobicContact CB-CB 4.2Å; L642-A655 HydrophobicContact CD2-CB 4.39Å; L642-A655 PolarHBondContact N-O 3.25Å; L642-A655 PolarHBondContact O-N 2.91Å
643F93.1Very high87.6Confident0 Ų030.3 Ų30.30%016%0.162CC..EExtended strand (participates in β ladder)trans-114.8147.6172.7-59.8-91.1000110.6M96 L100 V590 H592 L641 Q651 D652 L653M96-F643 HydrophobicContact CE-CD1 3.95Å; M96-F643 HydrophobicContact CE-CE1 3.52Å; M96-F643 HydrophobicContact CE-CZ 4.07Å; M96-F643 HydrophobicContact SD-CE1 3.81Å; M96-F643 HydrophobicContact SD-CZ 4.08Å; L100-F643 HydrophobicContact CD1-CZ 4.26Å; V590-F643 HydrophobicContact CB-CB 4.18Å; V590-F643 PolarHBondContact N-O 3.34Å; V590-F643 PolarHBondContact O-N 2.87Å; H592-F643 AromaticContact CE1-CE2 3.89Å; H592-F643 AromaticContact CG-CE2 3.95Å; H592-F643 AromaticContact ND1-CE2 3.79Å; L641-F643 HydrophobicContact CB-CD2 4.26Å; L641-F643 HydrophobicContact CB-CE2 3.56Å; L641-F643 HydrophobicContact CB-CZ 4.09Å; L641-F643 HydrophobicContact CD1-CE2 3.96Å; L641-F643 HydrophobicContact CD1-CZ 3.97Å; L641-F643 HydrophobicContact CG-CE2 4.4Å; F643-Q651 HydrophobicContact CB-CB 4.06Å; F643-Q651 HydrophobicContact CD1-CB 4.1Å; F643-Q651 HydrophobicContact CG-CB 4.29Å; F643-D652 CarbonylContact C-O 3.48Å; F643-D652 WeakPolarHBondContact CA-O 3.38Å; F643-L653 HydrophobicContact CD1-CB 4.18Å; F643-L653 HydrophobicContact CD1-CD1 4.26Å; F643-L653 HydrophobicContact CE1-CB 3.98Å; F643-L653 HydrophobicContact CE1-CD1 3.83Å; F643-L653 HydrophobicContact CZ-CD1 4.03Å
644K90.9Very high87.5Confident30 Ų3030.3 Ų30.313%0.1316%0.162CC..EExtended strand (participates in β ladder)trans-104.7130.3166.6-179.1178174.4-170.80107.6E581 E587 L589 Q651 D652 V654E581-K644 IonicContact OE2-NZ 3.86Å; E581-K644 PolarHBondContact OE2-NZ 3.28Å; E587-K644 VanDerWaalsContact OE1-CE 3.25Å; E587-K644 WeakPolarHBondContact OE1-CE 3.49Å; E587-K644 IonicContact OE1-NZ 3.04Å; L589-K644 HydrophobicContact CD2-CB 4.11Å; K644-Q651 WeakPolarHBondContact O-CA 3.21Å; K644-D652 PolarHBondContact N-O 3.31Å; K644-D652 PolarHBondContact O-N 3.47Å; K644-V654 HydrophobicContact CB-CG2 3.55Å
645Q87.2Confident87.6Confident51 Ų5130.2 Ų30.224%0.23816%0.161CC..EExtended strand (participates in β ladder)trans-86.3122.7176.3-172.5172.18.600108.6
646R80.6Confident87.7Confident120 Ų12031.7 Ų31.745%0.45317%0.17SC..  trans-81.8162.9169-177.1173-88.9-174.6-3.9109.8E581 D648 G649 V650E581-R646 IonicContact OE1-NH2 2.67Å; R646-D648 WeakPolarHBondContact CD-OD2 3.48Å; R646-D648 PolarHBondContact O-N 3.04Å; R646-D648 VanDerWaalsContact O-N 3.16Å; R646-G649 PolarHBondContact O-N 3.46Å; R646-V650 PolarHBondContact N-O 2.99Å
647N72.2Confident87.7Confident146 Ų14632.3 Ų32.378%0.78118%0.178SC*.THydrogen-bonded Turntrans-54.7-31.9179.1-63.3-11.5000112.9G649N647-G649 PolarHBondContact O-N 3.39Å
648D69.4Low87.9Confident92 Ų9232.4 Ų32.449%0.49218%0.18SC..THydrogen-bonded Turntrans-75.7-0.4178.4-47.2-45.6000113.7R646 V650 L764R646-D648 WeakPolarHBondContact CD-OD2 3.48Å; R646-D648 PolarHBondContact O-N 3.04Å; R646-D648 VanDerWaalsContact O-N 3.16Å; D648-V650 HydrophobicContact CB-CG2 4.44Å; D648-V650 PolarHBondContact O-N 2.96Å; D648-L764 HydrophobicContact CB-CD1 4.35Å
649G72.4Confident88.1Confident9 Ų932.7 Ų32.79%0.09318%0.181CC..SBendtrans81.7-6.2-176.300000114.5R646 N647 P761R646-G649 PolarHBondContact O-N 3.46Å; N647-G649 PolarHBondContact O-N 3.39Å; G649-P761 VanDerWaalsContact O-CA 3.23Å; G649-P761 WeakPolarHBondContact O-CA 3.18Å; G649-P761 WeakPolarHBondContact O-CB 3.49Å
650V80.4Confident88.2Confident46 Ų4634.9 Ų34.928%0.27919%0.188SC..  trans-65.3139.9172.5-177.90000109.9R646 D648 L764R646-V650 PolarHBondContact N-O 2.99Å; D648-V650 HydrophobicContact CB-CG2 4.44Å; D648-V650 PolarHBondContact O-N 2.96Å; V650-L764 HydrophobicContact CG2-CD1 4.26Å
651Q86Confident88.1Confident3 Ų335.9 Ų35.91%0.01420%0.195CC..EExtended strand (participates in β ladder)trans-107.6109.6-178.8-70.2-172.43.800110.3M96 H97 F643 K644 P761M96-Q651 HydrophobicContact CE-CB 3.85Å; H97-Q651 PolarHBondContact CE1-OE1 2.9Å; H97-Q651 PolarHBondContact NE2-NE2 3.04Å; H97-Q651 PolarHBondContact NE2-OE1 3.38Å; F643-Q651 HydrophobicContact CB-CB 4.06Å; F643-Q651 HydrophobicContact CD1-CB 4.1Å; F643-Q651 HydrophobicContact CG-CB 4.29Å; K644-Q651 WeakPolarHBondContact O-CA 3.21Å; Q651-P761 HydrophobicContact CG-CB 4.33Å
652D88.7Confident88Confident46 Ų4635.8 Ų35.825%0.24620%0.195CC..EExtended strand (participates in β ladder)trans-87.5130.2179.2-68.2-30.3000110.6F643 K644 V654F643-D652 CarbonylContact C-O 3.48Å; F643-D652 WeakPolarHBondContact CA-O 3.38Å; K644-D652 PolarHBondContact N-O 3.31Å; K644-D652 PolarHBondContact O-N 3.47Å; D652-V654 PolarHBondContact O-N 2.94Å
653L91.9Very high87.8Confident2 Ų238.1 Ų38.11%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-71113.4177.818067.3000109.1H125 H576 L641 F643 T656H125-L653 VanDerWaalsContact CE1-CB 3.47Å; H125-L653 WeakPolarHBondContact CE1-CB 3.33Å; H576-L653 HydrophobicContact CB-CD2 4.3Å; H576-L653 HydrophobicContact CB-CG 4.26Å; H576-L653 VanDerWaalsContact CD2-CD2 3.4Å; H576-L653 WeakPolarHBondContact CD2-CD2 3.39Å; L641-L653 HydrophobicContact CB-CD1 4.31Å; L641-L653 HydrophobicContact CD2-CD1 4.32Å; F643-L653 HydrophobicContact CD1-CB 4.18Å; F643-L653 HydrophobicContact CD1-CD1 4.26Å; F643-L653 HydrophobicContact CE1-CB 3.98Å; F643-L653 HydrophobicContact CE1-CD1 3.83Å; F643-L653 HydrophobicContact CZ-CD1 4.03Å; L653-T656 HydrophobicContact CD1-CG2 4.09Å; L653-T656 HydrophobicContact CD2-CG2 3.96Å; L653-T656 HydrophobicContact CG-CG2 4.34Å
654V92.5Very high87.8Confident0 Ų038.5 Ų38.50%021%0.21CC..EExtended strand (participates in β ladder)trans-90.2-52-178.31660000111.2H576 I583 L619 L642 K644 D652H576-V654 PolarHBondContact N-O 2.82Å; I583-V654 HydrophobicContact CD1-CB 3.86Å; I583-V654 HydrophobicContact CD1-CG1 3.13Å; I583-V654 HydrophobicContact CD1-CG2 3.44Å; I583-V654 VanDerWaalsContact CD1-CG2 3.44Å; L619-V654 HydrophobicContact CD2-CG1 3.72Å; L642-V654 HydrophobicContact CB-CB 4.38Å; L642-V654 WeakPolarHBondContact O-CB 3.23Å; L642-V654 PolarHBondContact O-N 3.45Å; K644-V654 HydrophobicContact CB-CG2 3.55Å; D652-V654 PolarHBondContact O-N 2.94Å
655A94.1Very high87.8Confident0 Ų042.7 Ų42.70%023%0.225CC..EExtended strand (participates in β ladder)trans-151.1150.1-170.700000111.1V573 Q574 L619 L642V573-A655 HydrophobicContact CB-CB 4.12Å; V573-A655 HydrophobicContact CG2-CB 4.33Å; Q574-A655 CarbonylContact O-C 3.55Å; Q574-A655 VanDerWaalsContact O-CA 3.24Å; Q574-A655 WeakPolarHBondContact O-CA 3.25Å; Q574-A655 VanDerWaalsContact O-CB 3.3Å; Q574-A655 WeakPolarHBondContact O-CB 3.36Å; L619-A655 HydrophobicContact CD2-CB 4.12Å; L642-A655 HydrophobicContact CB-CB 4.2Å; L642-A655 HydrophobicContact CD2-CB 4.39Å; L642-A655 PolarHBondContact N-O 3.25Å; L642-A655 PolarHBondContact O-N 2.91Å
656T94.7Very high88Confident32 Ų3242.2 Ų42.220%0.19622%0.221CC..EExtended strand (participates in β ladder)trans-121.7145.6178.559.40000109.1A132 V573 Q574 L641 L653A132-T656 HydrophobicContact CB-CG2 3.38Å; V573-T656 WeakPolarHBondContact CA-O 3.17Å; Q574-T656 PolarHBondContact N-O 2.79Å; Q574-T656 PolarHBondContact O-N 2.99Å; L641-T656 HydrophobicContact CD2-CG2 4.09Å; L653-T656 HydrophobicContact CD1-CG2 4.09Å; L653-T656 HydrophobicContact CD2-CG2 3.96Å; L653-T656 HydrophobicContact CG-CG2 4.34Å
657G93.4Very high88.7Confident20 Ų2036.6 Ų36.621%0.20620%0.2CC..EExtended strand (participates in β ladder)trans-172.5-168.1-171.900000115.2L572 V640L572-G657 CarbonylContact O-C 3.5Å; L572-G657 WeakPolarHBondContact O-CA 3.34Å; V640-G657 PolarHBondContact N-O 2.9Å; V640-G657 PolarHBondContact O-N 2.89Å
658S93.9Very high89.8Confident59 Ų5930 Ų3041%0.41317%0.165SC..EExtended strand (participates in β ladder)trans-140.3154.2176.863.30000111.4L572 A638 L660L572-S658 PolarHBondContact N-O 3.46Å; L572-S658 PolarHBondContact O-N 3.42Å; A638-S658 WeakPolarHBondContact O-CA 3.46Å; S658-L660 PolarHBondContact O-N 2.81Å
659L93.9Very high91.1Very high9 Ų925.6 Ų25.65%0.04714%0.141CC..EExtended strand (participates in β ladder)trans-71.3125.6176.1-177.465.7000110.9M569 L571 T634 P636 A638 V640M569-L659 HydrophobicContact CE-CD1 3.4Å; M569-L659 VanDerWaalsContact CE-CD1 3.4Å; M569-L659 HydrophobicContact CE-CD2 3.92Å; M569-L659 HydrophobicContact CE-CG 4.34Å; L571-L659 HydrophobicContact CD2-CB 4.36Å; L571-L659 HydrophobicContact CD2-CD1 3.39Å; L571-L659 HydrophobicContact CD2-CG 4.47Å; L571-L659 HydrophobicContact CG-CD1 4.44Å; T634-L659 HydrophobicContact CG2-CD2 4.15Å; T634-L659 WeakPolarHBondContact O-CD2 3.5Å; P636-L659 HydrophobicContact CG-CD2 3.98Å; P636-L659 HydrophobicContact CG-CG 4.04Å; A638-L659 HydrophobicContact CB-CB 4.07Å; A638-L659 HydrophobicContact CB-CD2 4.24Å; A638-L659 PolarHBondContact O-N 2.95Å; V640-L659 HydrophobicContact CG2-CB 4.3Å
660L92.9Very high92.2Very high65 Ų6528.1 Ų28.134%0.3415%0.15SC..EExtended strand (participates in β ladder)trans-87.8-70.5-179.9-17965.7000111H570 V626 S658H570-L660 HydrophobicContact CB-CB 4.49Å; H570-L660 WeakPolarHBondContact O-CB 3.41Å; H570-L660 PolarHBondContact O-N 3.41Å; V626-L660 HydrophobicContact CG2-CD2 4.43Å; S658-L660 PolarHBondContact O-N 2.81Å
661S92.7Very high92.9Very high22 Ų2227.8 Ų27.815%0.15414%0.143CC..EExtended strand (participates in β ladder)trans-156.1170.8-179.976.20000111.4H570 D663H570-S661 WeakPolarHBondContact CB-O 3.3Å; H570-S661 PolarHBondContact N-O 2.84Å; H570-S661 PolarHBondContact O-N 2.92Å; S661-D663 WeakPolarHBondContact CB-OD2 3.44Å; S661-D663 PolarHBondContact OG-OD2 2.64Å
662C92.3Very high93.4Very high0 Ų028 Ų280%014%0.144CC..EExtended strand (participates in β ladder)trans-123.691176.2-58.20000108.3F509 V568 I633F509-C662 HydrophobicContact CD2-CB 4.31Å; F509-C662 HydrophobicContact CE2-CB 3.82Å; F509-C662 HydrophobicContact CZ-CB 4.2Å; V568-C662 CarbonylContact O-C 3.48Å; V568-C662 WeakPolarHBondContact O-CA 3.47Å; I633-C662 HydrophobicContact CG2-CB 4.45Å
663D91.4Very high93.7Very high49 Ų4925.8 Ų25.826%0.26213%0.133SC..  trans-142.3115-172.6-61.9-62.1000111.7F509 V568 H570 S661 R665F509-D663 WeakPolarHBondContact CB-OD1 3.12Å; V568-D663 PolarHBondContact O-N 3.08Å; V568-D663 VanDerWaalsContact O-N 3.09Å; H570-D663 PolarHBondContact NE2-O 2.69Å; S661-D663 WeakPolarHBondContact CB-OD2 3.44Å; S661-D663 PolarHBondContact OG-OD2 2.64Å; D663-R665 PolarHBondContact O-N 3.33Å; D663-R665 VanDerWaalsContact O-N 3.12Å
664P91.4Very high93.9Very high8 Ų825.7 Ų25.75%0.05213%0.132CC..THydrogen-bonded Turntrans-71.1-10.1179.727.5-33.9000114.4Y500 I503 Q505 V568 R666Y500-P664 HydrophobicContact CD1-CB 4.31Å; Y500-P664 HydrophobicContact CE1-CB 3.69Å; Y500-P664 WeakPolarHBondContact CE1-O 3.33Å; Y500-P664 PolarHBondContact OH-O 3.28Å; I503-P664 HydrophobicContact CD1-CB 3.63Å; I503-P664 HydrophobicContact CD1-CG 4.27Å; Q505-P664 HydrophobicContact CB-CG 4.03Å; Q505-P664 HydrophobicContact CG-CG 3.81Å; V568-P664 HydrophobicContact CB-CB 4.36Å; V568-P664 HydrophobicContact CG2-CB 4Å; P664-R666 VanDerWaalsContact C-N 3.34Å; P664-R666 PolarHBondContact O-N 3.46Å
665R91.3Very high94Very high118 Ų11827.2 Ų27.245%0.44514%0.143SC..THydrogen-bonded Turntrans-77.9-13.4-176.2-64.3-175.7-179.2146.73.1114.1P492 Q505 D663 V667P492-R665 HydrophobicContact CB-CB 4.41Å; Q505-R665 VanDerWaalsContact NE2-CG 3.33Å; D663-R665 PolarHBondContact O-N 3.33Å; D663-R665 VanDerWaalsContact O-N 3.12Å; R665-V667 PolarHBondContact O-N 2.93Å
666R92.8Very high94Very high40 Ų4027.4 Ų27.415%0.15115%0.145CC..  trans-63.8119.4179.6-172.5-176.6179.587.71.3110.1H570 Q606 H613 P664H570-R666 WeakPolarHBondContact CE1-CD 3Å; H570-R666 WeakPolarHBondContact NE2-CB 3.4Å; H570-R666 WeakPolarHBondContact NE2-CD 3.36Å; Q606-R666 PolarHBondContact O-NH2 3.4Å; H613-R666 WeakPolarHBondContact CD2-CG 3.44Å; H613-R666 PolarHBondContact CD2-NE 2.96Å; H613-R666 PolarHBondContact CE1-NH1 3.07Å; H613-R666 PolarHBondContact CE1-NH2 3.09Å; H613-R666 VanDerWaalsContact CG-NH2 3.34Å; H613-R666 PolarHBondContact ND1-NH2 3.16Å; H613-R666 PolarHBondContact NE2-NH1 2.91Å; H613-R666 VanDerWaalsContact NE2-NH1 3.2Å; P664-R666 VanDerWaalsContact C-N 3.34Å; P664-R666 PolarHBondContact O-N 3.46Å
667V93.9Very high94.1Very high2 Ų229.4 Ų29.41%0.01215%0.152CC..EExtended strand (participates in β ladder)trans-91.5113.2-176.2-179.30000110.3W490 P492 D611 K612 H613 R665 L669 R747W490-V667 HydrophobicContact CG-CG1 4.08Å; P492-V667 HydrophobicContact CB-CG2 4.08Å; P492-V667 HydrophobicContact CG-CG2 4.01Å; D611-V667 PolarHBondContact O-N 3.12Å; K612-V667 HydrophobicContact CG-CG1 4.46Å; H613-V667 PolarHBondContact N-O 2.9Å; R665-V667 PolarHBondContact O-N 2.93Å; V667-L669 HydrophobicContact CG1-CD2 3.58Å; V667-L669 HydrophobicContact CG1-CG 3.92Å; V667-R747 HydrophobicContact CG1-CG 4.19Å
668V95.9Very high94.2Very high8 Ų828.5 Ų28.55%0.04814%0.142CC..EExtended strand (participates in β ladder)trans-101.7119.2174-176.80000109.8I603 H613 M615 R747 V748I603-V668 HydrophobicContact CG2-CG1 3.88Å; H613-V668 WeakPolarHBondContact O-CA 3.31Å; M615-V668 HydrophobicContact CB-CG1 3.88Å; M615-V668 HydrophobicContact CG-CG1 4.35Å; V668-R747 WeakPolarHBondContact O-CA 3.48Å; V668-V748 PolarHBondContact O-N 3.13Å
669L96.1Very high94Very high0 Ų030.8 Ų30.80%015%0.145CC..EExtended strand (participates in β ladder)trans-110.5122.3-176.3-60.7-176.1000111.1L482 F485 W490 K612 H613 M615 V667 Y745 K746 R747L482-L669 HydrophobicContact CD1-CD1 4.09Å; F485-L669 HydrophobicContact CD2-CD1 4.42Å; F485-L669 HydrophobicContact CE2-CB 4.02Å; F485-L669 HydrophobicContact CE2-CD1 3.7Å; F485-L669 HydrophobicContact CE2-CG 4.36Å; F485-L669 HydrophobicContact CZ-CB 4.48Å; F485-L669 HydrophobicContact CZ-CD1 4.36Å; W490-L669 HydrophobicContact CD2-CD1 4.26Å; W490-L669 HydrophobicContact CD2-CD2 3.82Å; W490-L669 HydrophobicContact CE3-CD1 3.89Å; W490-L669 HydrophobicContact CE3-CD2 3.99Å; W490-L669 HydrophobicContact CG-CD2 4.46Å; W490-L669 HydrophobicContact CH2-CD2 3.89Å; W490-L669 HydrophobicContact CZ2-CD2 3.76Å; W490-L669 HydrophobicContact CZ3-CD1 4.2Å; W490-L669 HydrophobicContact CZ3-CD2 4.01Å; K612-L669 HydrophobicContact CB-CD1 4.07Å; K612-L669 HydrophobicContact CD-CD1 4.23Å; K612-L669 HydrophobicContact CG-CD1 3.88Å; H613-L669 PolarHBondContact O-N 3.38Å; M615-L669 WeakPolarHBondContact CB-O 3.22Å; M615-L669 PolarHBondContact N-O 3.47Å; V667-L669 HydrophobicContact CG1-CD2 3.58Å; V667-L669 HydrophobicContact CG1-CG 3.92Å; L669-Y745 HydrophobicContact CB-CD1 4.47Å; L669-K746 CarbonylContact C-O 3.36Å; L669-K746 WeakPolarHBondContact CA-O 3.1Å; L669-R747 HydrophobicContact CD2-CB 3.86Å; L669-R747 HydrophobicContact CD2-CG 4.36Å
670K95.9Very high94Very high62 Ų6236.6 Ų36.627%0.2717%0.17SC..EExtended strand (participates in β ladder)trans-79.8120.5167.1179177.3179.3-176.50109.2M615 Y745 K746 V748M615-K670 HydrophobicContact CB-CB 4.36Å; M615-K670 HydrophobicContact SD-CB 3.9Å; M615-K670 HydrophobicContact SD-CD 4.35Å; M615-K670 HydrophobicContact SD-CG 4.21Å; K670-Y745 WeakPolarHBondContact O-CA 3.29Å; K670-K746 HydrophobicContact CB-CG 4.47Å; K670-K746 PolarHBondContact N-O 2.96Å; K670-K746 PolarHBondContact O-N 3.43Å; K670-V748 HydrophobicContact CB-CG2 3.42Å; K670-V748 VanDerWaalsContact CB-CG2 3.42Å; K670-V748 HydrophobicContact CD-CG2 4.4Å
671R95.8Very high94.1Very high38 Ų3835.7 Ų35.714%0.14317%0.165CC..EExtended strand (participates in β ladder)trans-87.2140.9170.2-173.5178.464.1172.56.5109.9P461 D462 V673 L744 Y745P461-R671 PolarHBondContact O-NH2 3.03Å; D462-R671 IonicContact OD2-CZ 2.84Å; D462-R671 IonicContact OD2-NE 2.63Å; D462-R671 PolarHBondContact OD2-NE 2.82Å; D462-R671 IonicContact OD2-NH2 3.03Å; D462-R671 PolarHBondContact OD2-NH2 2.76Å; R671-V673 HydrophobicContact CG-CG2 4.23Å; R671-L744 CarbonylContact C-O 3.48Å; R671-L744 WeakPolarHBondContact CA-O 3.19Å; R671-Y745 HydrophobicContact CB-CD1 3.97Å; R671-Y745 HydrophobicContact CB-CE1 3.79Å; R671-Y745 HydrophobicContact CG-CD1 4.17Å; R671-Y745 HydrophobicContact CG-CE1 3.67Å
672I95.4Very high94.1Very high7 Ų739.3 Ų39.34%0.03618%0.183CC..EExtended strand (participates in β ladder)trans-124.1141.1161.9-68.4-175.1000107.3V464 F476 Y479 L674 L744V464-I672 HydrophobicContact CB-CG2 3.86Å; V464-I672 HydrophobicContact CG2-CG1 4.39Å; V464-I672 HydrophobicContact CG2-CG2 3.89Å; F476-I672 HydrophobicContact CD1-CD1 4.27Å; F476-I672 HydrophobicContact CE1-CD1 3.9Å; F476-I672 HydrophobicContact CE1-CG2 4.27Å; Y479-I672 HydrophobicContact CE1-CB 4.22Å; Y479-I672 HydrophobicContact CE1-CD1 3.64Å; Y479-I672 HydrophobicContact CE1-CG1 3.75Å; Y479-I672 HydrophobicContact CE2-CD1 4.14Å; Y479-I672 WeakPolarHBondContact OH-CD1 3.48Å; I672-L674 HydrophobicContact CG2-CD2 3.88Å; I672-L744 PolarHBondContact N-O 3.04Å; I672-L744 PolarHBondContact O-N 3.34Å
673V95.9Very high94Very high1 Ų149.6 Ų49.61%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-115.5118.9175.1-172.70000108.1D462 E463 V464 R671 L741 M742D462-V673 HydrophobicContact CB-CG2 4.36Å; D462-V673 PolarHBondContact O-N 3.34Å; E463-V673 WeakPolarHBondContact CA-O 3.48Å; E463-V673 HydrophobicContact CG-CB 4.23Å; E463-V673 HydrophobicContact CG-CG1 4.39Å; V464-V673 PolarHBondContact N-O 3.33Å; R671-V673 HydrophobicContact CG-CG2 4.23Å; V673-L741 HydrophobicContact CG1-CB 3.72Å; V673-L741 HydrophobicContact CG1-CD1 4.3Å; V673-L741 HydrophobicContact CG1-CD2 3.74Å; V673-L741 HydrophobicContact CG1-CG 4.12Å; V673-M742 VanDerWaalsContact CA-O 3.31Å; V673-M742 WeakPolarHBondContact CA-O 3.31Å
674L95.4Very high93.9Very high0 Ų055.6 Ų55.60%024%0.24CC..EExtended strand (participates in β ladder)trans-91.3129.8170.6-54.8-172.3000108.2V464 T466 F476 I672 M691 F692 L741 M742 L744V464-L674 WeakPolarHBondContact O-CD2 3.37Å; T466-L674 HydrophobicContact CG2-CD1 3.72Å; T466-L674 HydrophobicContact CG2-CD2 3.85Å; T466-L674 HydrophobicContact CG2-CG 4.25Å; F476-L674 HydrophobicContact CD2-CD1 4.24Å; F476-L674 HydrophobicContact CE2-CD1 3.96Å; F476-L674 HydrophobicContact CE2-CD2 3.86Å; F476-L674 HydrophobicContact CZ-CD2 3.74Å; I672-L674 HydrophobicContact CG2-CD2 3.88Å; L674-M691 HydrophobicContact CB-CG 4.14Å; L674-F692 HydrophobicContact CD1-CE1 3.85Å; L674-F692 HydrophobicContact CD1-CZ 4.18Å; L674-L741 CarbonylContact O-C 3.11Å; L674-L741 VanDerWaalsContact O-CA 3.32Å; L674-L741 WeakPolarHBondContact O-CA 3.47Å; L674-M742 HydrophobicContact CB-CE 4.31Å; L674-M742 HydrophobicContact CD1-CE 3.5Å; L674-M742 VanDerWaalsContact CD1-CE 3.5Å; L674-M742 HydrophobicContact CG-CE 4.08Å; L674-M742 PolarHBondContact N-O 2.72Å; L674-M742 PolarHBondContact O-N 2.89Å; L674-L744 HydrophobicContact CD1-CD1 4.06Å; L674-L744 HydrophobicContact CG-CD1 4.4Å
675S94.9Very high94.1Very high31 Ų3156.4 Ų56.422%0.21725%0.246CC..EExtended strand (participates in β ladder)trans-97148.4-179.753.70000110.7M691 V740S675-M691 VanDerWaalsContact O-CA 3.3Å; S675-M691 WeakPolarHBondContact O-CA 3.45Å; S675-V740 CarbonylContact C-O 3.49Å; S675-V740 WeakPolarHBondContact CA-O 3.41Å
676G94.9Very high94.3Very high4 Ų450.9 Ų50.94%0.04123%0.226CC..EExtended strand (participates in β ladder)trans-150.1148.317600000110.8V740G676-V740 PolarHBondContact N-O 2.85Å; G676-V740 PolarHBondContact O-N 3.13Å
677H95.1Very high94.4Very high75 Ų7550.3 Ų50.335%0.34723%0.227SC..EExtended strand (participates in β ladder)trans-103.4127.3-176.6-169.5-77000110.7F679 V688 R689H677-F679 PolarHBondContact O-N 3.36Å; H677-V688 WeakPolarHBondContact O-CA 2.89Å; H677-R689 HydrophobicContact CB-CG 4.42Å; H677-R689 PolarHBondContact N-O 2.83Å; H677-R689 PolarHBondContact O-N 3.47Å
678P95.8Very high94.5Very high1 Ų150.2 Ų50.21%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-70.3127.4172.830.2-32.3000109.8I681 L734 D738P678-I681 HydrophobicContact CB-CD1 4.18Å; P678-I681 HydrophobicContact CB-CG1 4.16Å; P678-I681 HydrophobicContact CG-CD1 4.46Å; P678-L734 HydrophobicContact CB-CD2 4.29Å; P678-D738 WeakPolarHBondContact CD-O 3.34Å; P678-D738 VanDerWaalsContact CG-O 3.26Å; P678-D738 WeakPolarHBondContact CG-O 3.44Å
679F91.1Very high94.4Very high107 Ų10753.1 Ų53.147%0.46924%0.236SC..EExtended strand (participates in β ladder)trans-104.9-61.4-178.9176.7-123.6000111.8H677 V687 R689H677-F679 PolarHBondContact O-N 3.36Å; F679-V687 PolarHBondContact N-O 3.25Å; F679-R689 HydrophobicContact CB-CG 4.25Å
680K93.4Very high94.3Very high131 Ų13159.6 Ų59.657%0.5726%0.262SS*.EExtended strand (participates in β ladder)trans-104.5116.8176.2-66179.9179.9-179.30109.2A686 V687K680-A686 CarbonylContact O-C 3.51Å; K680-A686 VanDerWaalsContact O-CA 3.23Å; K680-A686 WeakPolarHBondContact O-CA 3.37Å; K680-V687 HydrophobicContact CB-CB 4.13Å; K680-V687 HydrophobicContact CB-CG2 4.16Å; K680-V687 PolarHBondContact O-N 3.4Å
681I95.4Very high94.3Very high46 Ų4656.7 Ų56.724%0.23625%0.249CC..EExtended strand (participates in β ladder)trans-110.4117.2-177.1-58.4171.1000109.4P678 A686 Q733 L734P678-I681 HydrophobicContact CB-CD1 4.18Å; P678-I681 HydrophobicContact CB-CG1 4.16Å; P678-I681 HydrophobicContact CG-CD1 4.46Å; I681-A686 HydrophobicContact CG1-CB 4.34Å; I681-Q733 HydrophobicContact CG2-CG 4.1Å; I681-L734 HydrophobicContact CD1-CB 4.3Å; I681-L734 HydrophobicContact CG2-CB 4.36Å
682N91.8Very high94.2Very high98 Ų9855 Ų5552%0.52424%0.243SC..  trans-100.1-179.8167.3-63.3-1.7000109.2R684 S685N682-R684 PolarHBondContact O-N 3.38Å; N682-S685 CarbonylContact C-O 3.44Å; N682-S685 WeakPolarHBondContact CA-O 3.4Å; N682-S685 WeakPolarHBondContact CB-O 3.49Å; N682-S685 PolarHBondContact N-O 2.95Å
683R89.6Confident94.2Very high215 Ų21557.4 Ų57.481%0.81125%0.253SS*.SBendtrans-50.1-53.9-177.4-77.1-177163.9165.4-3.3114.1Q733R683-Q733 WeakPolarHBondContact O-CA 3.29Å; R683-Q733 WeakPolarHBondContact O-CB 3.32Å; R683-Q733 PolarHBondContact O-N 3.27Å
684R91Very high94Very high175 Ų17560.3 Ų60.366%0.6627%0.269SS*.SBendtrans-123.8-3.8-179.9-70.1-171.9177.3-174.4-0.4114.6N682 V729 F730N682-R684 PolarHBondContact O-N 3.38Å; R684-V729 WeakPolarHBondContact O-CA 2.91Å; R684-F730 PolarHBondContact O-N 3.12Å
685S94Very high93.8Very high26 Ų2666.2 Ų66.218%0.18229%0.291CS..EExtended strand (participates in β ladder)trans-120145.6177.754.20000110N682 C728N682-S685 CarbonylContact C-O 3.44Å; N682-S685 WeakPolarHBondContact CA-O 3.4Å; N682-S685 WeakPolarHBondContact CB-O 3.49Å; N682-S685 PolarHBondContact N-O 2.95Å; S685-C728 CarbonylContact C-O 3.58Å; S685-C728 WeakPolarHBondContact CA-O 3.34Å
686A96.1Very high93.7Very high2 Ų268.8 Ų68.82%0.01730%0.302CS..EExtended strand (participates in β ladder)trans-139143.3175.300000110K680 I681 C728 F730K680-A686 CarbonylContact O-C 3.51Å; K680-A686 VanDerWaalsContact O-CA 3.23Å; K680-A686 WeakPolarHBondContact O-CA 3.37Å; I681-A686 HydrophobicContact CG1-CB 4.34Å; A686-C728 PolarHBondContact N-O 2.96Å; A686-C728 PolarHBondContact O-N 3.45Å; A686-F730 HydrophobicContact CB-CD2 4.49Å; A686-F730 HydrophobicContact CB-CE2 4.2Å
687V95.9Very high93.7Very high28 Ų2868.7 Ų68.717%0.1730%0.301CS..EExtended strand (participates in β ladder)trans-89121.4170.4-1790000108.1F679 K680 L720 H725 M726F679-V687 PolarHBondContact N-O 3.25Å; K680-V687 HydrophobicContact CB-CB 4.13Å; K680-V687 HydrophobicContact CB-CG2 4.16Å; K680-V687 PolarHBondContact O-N 3.4Å; V687-L720 HydrophobicContact CG1-CD1 3.96Å; V687-L720 HydrophobicContact CG2-CD1 3.84Å; V687-H725 HydrophobicContact CG1-CB 4.37Å; V687-M726 CarbonylContact C-O 3.5Å; V687-M726 VanDerWaalsContact CA-O 3.31Å; V687-M726 WeakPolarHBondContact CA-O 3.26Å
688V95.9Very high93.6Very high0 Ų065.2 Ų65.20%029%0.285CS..EExtended strand (participates in β ladder)trans-103.8140-179.7-176.20000109.4H677 M726 C728 V740H677-V688 WeakPolarHBondContact O-CA 2.89Å; V688-M726 HydrophobicContact CB-CE 3.85Å; V688-M726 HydrophobicContact CB-CG 4.1Å; V688-M726 HydrophobicContact CG1-CE 3.82Å; V688-M726 HydrophobicContact CG2-CE 4.46Å; V688-M726 PolarHBondContact N-O 3.48Å; V688-M726 PolarHBondContact O-N 3.4Å; V688-M726 VanDerWaalsContact O-N 3.16Å; V688-C728 HydrophobicContact CG2-CB 4.25Å; V688-V740 HydrophobicContact CG1-CB 4.25Å; V688-V740 HydrophobicContact CG1-CG2 4.41Å; V688-V740 HydrophobicContact CG2-CB 4.38Å; V688-V740 HydrophobicContact CG2-CG2 3.86Å
689R94.1Very high93.5Very high69 Ų6969.7 Ų69.726%0.2631%0.307SS..EExtended strand (participates in β ladder)trans-124.4165.3175.566.7175.3-179.5178.91.9111.5H677 F679 M691 H725H677-R689 HydrophobicContact CB-CG 4.42Å; H677-R689 PolarHBondContact N-O 2.83Å; H677-R689 PolarHBondContact O-N 3.47Å; F679-R689 HydrophobicContact CB-CG 4.25Å; R689-M691 PolarHBondContact O-N 2.93Å; R689-M691 VanDerWaalsContact O-N 3.15Å; R689-H725 WeakPolarHBondContact CB-ND1 3.31Å
690Y93.8Very high93.7Very high135 Ų13570.7 Ų70.753%0.52931%0.307SS..SBendtrans64.47176.9-51.8-43.6000116.4F693Y690-F693 HydrophobicContact CD1-CE1 4.4Å
691M94.7Very high93.8Very high2 Ų264.6 Ų64.61%0.0128%0.281CS..SBendtrans-82.1-41169.8-168.7171.8-71.200111.5T466 L674 S675 R689 L706 M726 V740 M742T466-M691 WeakPolarHBondContact CG2-O 3.44Å; T466-M691 PolarHBondContact OG1-O 2.63Å; L674-M691 HydrophobicContact CB-CG 4.14Å; S675-M691 VanDerWaalsContact O-CA 3.3Å; S675-M691 WeakPolarHBondContact O-CA 3.45Å; R689-M691 PolarHBondContact O-N 2.93Å; R689-M691 VanDerWaalsContact O-N 3.15Å; M691-L706 HydrophobicContact SD-CD2 4.22Å; M691-M726 HydrophobicContact CB-CE 3.98Å; M691-M726 HydrophobicContact CE-CE 4.19Å; M691-M726 HydrophobicContact CG-CE 4.24Å; M691-M726 HydrophobicContact SD-CE 3.47Å; M691-M726 WeakPolarHBondContact SD-CE 2.97Å; M691-V740 HydrophobicContact CE-CB 4.15Å; M691-V740 HydrophobicContact CE-CG1 3.94Å; M691-V740 VanDerWaalsContact CE-O 3.26Å; M691-V740 WeakPolarHBondContact CE-O 3.38Å; M691-M742 HydrophobicContact CE-CB 4.47Å; M691-M742 HydrophobicContact SD-CB 3.97Å
692F95Very high93.7Very high1 Ų166.6 Ų66.60%0.00429%0.288CS..  trans-135163.1176.1-60.2-71.9000109.4A472 L674 D697 I698 F701 G724 M726 M742A472-F692 HydrophobicContact CB-CD1 3.69Å; A472-F692 HydrophobicContact CB-CE1 3.86Å; L674-F692 HydrophobicContact CD1-CE1 3.85Å; L674-F692 HydrophobicContact CD1-CZ 4.18Å; F692-D697 HydrophobicContact CB-CB 4.39Å; F692-D697 HydrophobicContact CD1-CB 3.93Å; F692-D697 HydrophobicContact CG-CB 4.3Å; F692-I698 HydrophobicContact CB-CG1 4.04Å; F692-I698 HydrophobicContact CD2-CG1 3.86Å; F692-I698 HydrophobicContact CG-CG1 4.23Å; F692-F701 HydrophobicContact CD1-CD2 4.32Å; F692-F701 AromaticContact CE1-CD2 3.31Å; F692-F701 HydrophobicContact CE1-CD2 3.31Å; F692-F701 AromaticContact CE1-CE2 3.7Å; F692-F701 HydrophobicContact CE1-CE2 3.7Å; F692-F701 HydrophobicContact CE1-CG 4.18Å; F692-F701 HydrophobicContact CE2-CB 4.34Å; F692-F701 HydrophobicContact CE2-CD2 4.39Å; F692-F701 HydrophobicContact CZ-CB 3.82Å; F692-F701 AromaticContact CZ-CD2 3.33Å; F692-F701 HydrophobicContact CZ-CD2 3.33Å; F692-F701 HydrophobicContact CZ-CE2 4.15Å; F692-F701 AromaticContact CZ-CG 3.76Å; F692-F701 HydrophobicContact CZ-CG 3.76Å; F692-G724 WeakPolarHBondContact O-CA 3.49Å; F692-M726 HydrophobicContact CD2-SD 4.24Å; F692-M726 HydrophobicContact CE2-SD 4.41Å; F692-M742 HydrophobicContact CE1-CE 4.23Å; F692-M742 HydrophobicContact CE2-CE 4.29Å; F692-M742 HydrophobicContact CZ-CE 3.45Å; F692-M742 VanDerWaalsContact CZ-CE 3.45Å; F692-M742 HydrophobicContact CZ-SD 4.22Å
693F93.6Very high93.8Very high59 Ų5967.6 Ų67.626%0.25930%0.3SS..SBendtrans-117.7-17178.2-59.4-73.5000113T466 L468 Y690 H723 G724T466-F693 WeakPolarHBondContact OG1-CE2 3.18Å; L468-F693 HydrophobicContact CD2-CD1 3.5Å; L468-F693 VanDerWaalsContact CD2-CD1 3.5Å; L468-F693 HydrophobicContact CD2-CD2 3.68Å; L468-F693 HydrophobicContact CD2-CE1 3.42Å; L468-F693 VanDerWaalsContact CD2-CE1 3.42Å; L468-F693 HydrophobicContact CD2-CE2 3.61Å; L468-F693 HydrophobicContact CD2-CG 3.62Å; L468-F693 HydrophobicContact CD2-CZ 3.49Å; L468-F693 VanDerWaalsContact CD2-CZ 3.49Å; L468-F693 HydrophobicContact CG-CD2 4.37Å; L468-F693 HydrophobicContact CG-CE2 4.08Å; L468-F693 HydrophobicContact CG-CZ 4.17Å; Y690-F693 HydrophobicContact CD1-CE1 4.4Å; F693-H723 CarbonylContact O-C 3.52Å; F693-H723 WeakPolarHBondContact O-CA 3.5Å; F693-G724 PolarHBondContact O-N 2.88Å
694N91.8Very high94.1Very high62 Ų6258.1 Ų58.133%0.33227%0.266SS..SBendtrans-112.1146.6178-54.3-55.1000111.7D697N694-D697 HydrophobicContact CB-CB 4.34Å; N694-D697 WeakPolarHBondContact CB-OD2 3.39Å; N694-D697 PolarHBondContact ND2-OD2 3.26Å; N694-D697 PolarHBondContact O-N 3.3Å
695R92.9Very high94.2Very high124 Ų12452.4 Ų52.447%0.46825%0.247SC..Hα-helixtrans-60.9-46.2174.6176.7173.4174.5150.8-2.1112.7D697 I698 M699 A719R695-D697 VanDerWaalsContact C-N 3.27Å; R695-D697 PolarHBondContact O-N 2.9Å; R695-I698 WeakPolarHBondContact O-CB 3.46Å; R695-I698 PolarHBondContact O-N 3.02Å; R695-I698 VanDerWaalsContact O-N 3.16Å; R695-M699 HydrophobicContact CG-CE 4.37Å; R695-M699 PolarHBondContact O-N 2.91Å; R695-A719 HydrophobicContact CG-CB 3.86Å
696D92.5Very high94.3Very high85 Ų8551.1 Ų51.146%0.45524%0.238SC..Hα-helixtrans-65.5-31.9-176.5-60.1-13.3000112.9R473 I698 M699 W700R473-D696 IonicContact CZ-OD2 2.69Å; R473-D696 VanDerWaalsContact NH1-CG 3.33Å; R473-D696 IonicContact NH1-OD2 2.64Å; R473-D696 PolarHBondContact NH1-OD2 2.97Å; R473-D696 IonicContact NH2-OD2 3.95Å; D696-I698 VanDerWaalsContact C-N 3.27Å; D696-I698 PolarHBondContact O-N 3.4Å; D696-M699 PolarHBondContact O-N 2.91Å; D696-W700 PolarHBondContact O-N 3.47Å
697D93.6Very high94.3Very high2 Ų255 Ų551%0.01125%0.252CS..Hα-helixtrans-62.4-40.1176.7-71.9-31.5000110A472 R473 F692 N694 R695 M699 W700 F701A472-D697 HydrophobicContact CB-CB 4.15Å; A472-D697 VanDerWaalsContact N-CG 3.28Å; A472-D697 PolarHBondContact N-OD1 3.16Å; A472-D697 PolarHBondContact N-OD2 2.94Å; R473-D697 WeakPolarHBondContact CB-OD1 3.23Å; R473-D697 WeakPolarHBondContact CG-OD1 3.45Å; R473-D697 PolarHBondContact N-OD1 3.09Å; F692-D697 HydrophobicContact CB-CB 4.39Å; F692-D697 HydrophobicContact CD1-CB 3.93Å; F692-D697 HydrophobicContact CG-CB 4.3Å; N694-D697 HydrophobicContact CB-CB 4.34Å; N694-D697 WeakPolarHBondContact CB-OD2 3.39Å; N694-D697 PolarHBondContact ND2-OD2 3.26Å; N694-D697 PolarHBondContact O-N 3.3Å; R695-D697 VanDerWaalsContact C-N 3.27Å; R695-D697 PolarHBondContact O-N 2.9Å; D697-M699 VanDerWaalsContact C-N 3.34Å; D697-M699 PolarHBondContact O-N 3.22Å; D697-W700 PolarHBondContact O-N 3.36Å; D697-F701 WeakPolarHBondContact O-CD2 3.41Å; D697-F701 PolarHBondContact O-N 3.47Å
698I94.6Very high94.2Very high1 Ų154 Ų541%0.00525%0.246CC..Hα-helixtrans-62.7-42.7175.7-62.2161.1000110.8F692 R695 D696 F701 K702 I716 A719 H725 M726F692-I698 HydrophobicContact CB-CG1 4.04Å; F692-I698 HydrophobicContact CD2-CG1 3.86Å; F692-I698 HydrophobicContact CG-CG1 4.23Å; R695-I698 WeakPolarHBondContact O-CB 3.46Å; R695-I698 PolarHBondContact O-N 3.02Å; R695-I698 VanDerWaalsContact O-N 3.16Å; D696-I698 VanDerWaalsContact C-N 3.27Å; D696-I698 PolarHBondContact O-N 3.4Å; I698-F701 CarbonylContact O-C 3.57Å; I698-F701 PolarHBondContact O-N 3.09Å; I698-K702 PolarHBondContact O-N 3.43Å; I698-I716 HydrophobicContact CG2-CD1 4.42Å; I698-I716 HydrophobicContact CG2-CG2 3.64Å; I698-A719 HydrophobicContact CB-CB 3.97Å; I698-A719 HydrophobicContact CD1-CB 3.79Å; I698-A719 HydrophobicContact CG2-CB 3.84Å; I698-H725 VanDerWaalsContact CD1-O 3.29Å; I698-H725 WeakPolarHBondContact CD1-O 3.06Å; I698-M726 HydrophobicContact CD1-CB 3.96Å; I698-M726 HydrophobicContact CG1-CB 4.3Å; I698-M726 HydrophobicContact CG1-SD 4.48Å; I698-M726 HydrophobicContact CG2-CB 3.83Å; I698-M726 HydrophobicContact CG2-SD 4.27Å
699M93.6Very high94Very high96 Ų9658.5 Ų58.547%0.47327%0.266SS..Hα-helixtrans-65.2-41.1178.7-68.9-174.8171.900111.6R695 D696 D697 F701 K702R695-M699 HydrophobicContact CG-CE 4.37Å; R695-M699 PolarHBondContact O-N 2.91Å; D696-M699 PolarHBondContact O-N 2.91Å; D697-M699 VanDerWaalsContact C-N 3.34Å; D697-M699 PolarHBondContact O-N 3.22Å; M699-F701 PolarHBondContact O-N 2.72Å; M699-K702 VanDerWaalsContact O-CB 3.3Å; M699-K702 WeakPolarHBondContact O-CB 3.45Å; M699-K702 PolarHBondContact O-N 2.8Å
700W93.9Very high93.9Very high127 Ų12762.2 Ų62.248%0.48128%0.28SS..Hα-helixtrans-60-43.5175.4-177.7-90000112.3R473 D696 D697R473-W700 HydrophobicContact CB-CB 4.31Å; R473-W700 HydrophobicContact CB-CD2 4.23Å; R473-W700 HydrophobicContact CB-CG 3.93Å; D696-W700 PolarHBondContact O-N 3.47Å; D697-W700 PolarHBondContact O-N 3.36Å
701F95.3Very high93.9Very high4 Ų458.5 Ų58.52%0.01828%0.282CS..Hα-helixtrans-905-179.4-65.1-67.4000114.5A472 F476 F692 D697 I698 M699 P703 V704 M742 L744A472-F701 HydrophobicContact CB-CE2 4.11Å; F476-F701 HydrophobicContact CB-CZ 4.03Å; F692-F701 HydrophobicContact CD1-CD2 4.32Å; F692-F701 AromaticContact CE1-CD2 3.31Å; F692-F701 HydrophobicContact CE1-CD2 3.31Å; F692-F701 AromaticContact CE1-CE2 3.7Å; F692-F701 HydrophobicContact CE1-CE2 3.7Å; F692-F701 HydrophobicContact CE1-CG 4.18Å; F692-F701 HydrophobicContact CE2-CB 4.34Å; F692-F701 HydrophobicContact CE2-CD2 4.39Å; F692-F701 HydrophobicContact CZ-CB 3.82Å; F692-F701 AromaticContact CZ-CD2 3.33Å; F692-F701 HydrophobicContact CZ-CD2 3.33Å; F692-F701 HydrophobicContact CZ-CE2 4.15Å; F692-F701 AromaticContact CZ-CG 3.76Å; F692-F701 HydrophobicContact CZ-CG 3.76Å; D697-F701 WeakPolarHBondContact O-CD2 3.41Å; D697-F701 PolarHBondContact O-N 3.47Å; I698-F701 CarbonylContact O-C 3.57Å; I698-F701 PolarHBondContact O-N 3.09Å; M699-F701 PolarHBondContact O-N 2.72Å; F701-P703 VanDerWaalsContact C-N 3.34Å; F701-V704 HydrophobicContact CB-CG2 4.45Å; F701-V704 HydrophobicContact CD1-CG2 4.25Å; F701-V704 WeakPolarHBondContact O-CB 3.36Å; F701-V704 WeakPolarHBondContact O-CG2 3.29Å; F701-V704 PolarHBondContact O-N 3.38Å; F701-M742 HydrophobicContact CB-CE 4.29Å; F701-M742 HydrophobicContact CB-SD 3.92Å; F701-M742 HydrophobicContact CD1-CE 4.17Å; F701-M742 HydrophobicContact CD1-SD 4.4Å; F701-M742 HydrophobicContact CG-CE 4.09Å; F701-M742 HydrophobicContact CG-SD 4.3Å; F701-L744 HydrophobicContact CD1-CD1 4.36Å; F701-L744 HydrophobicContact CD1-CD2 4.03Å; F701-L744 HydrophobicContact CE1-CD1 3.83Å; F701-L744 HydrophobicContact CE1-CD2 4.03Å; F701-L744 HydrophobicContact CZ-CD1 4.3Å
702K94.5Very high93.8Very high88 Ų8862.8 Ų62.838%0.38330%0.298SS..THydrogen-bonded Turntrans-53.3-38.1179.8-175.5168.1173.4164.30114.4I698 M699 V704 I716 K717 D718I698-K702 PolarHBondContact O-N 3.43Å; M699-K702 VanDerWaalsContact O-CB 3.3Å; M699-K702 WeakPolarHBondContact O-CB 3.45Å; M699-K702 PolarHBondContact O-N 2.8Å; K702-V704 PolarHBondContact O-N 2.92Å; K702-I716 HydrophobicContact CG-CB 4.49Å; K702-K717 WeakPolarHBondContact CE-O 3.39Å; K702-K717 PolarHBondContact NZ-O 3.33Å; K702-D718 IonicContact NZ-OD1 3.78Å; K702-D718 PolarHBondContact NZ-OD1 3.01Å
703P94.1Very high93.8Very high119 Ų11968.9 Ų68.977%0.77332%0.321SS*.THydrogen-bonded Turntrans-69.9-12.4177.8-20.634000114.7F701F701-P703 VanDerWaalsContact C-N 3.34Å
704V94.9Very high93.9Very high16 Ų1666.3 Ų66.310%0.09731%0.312CS..SBendtrans-81.6136.2-174-172.90000110.7F701 K702 M742 L744F701-V704 HydrophobicContact CB-CG2 4.45Å; F701-V704 HydrophobicContact CD1-CG2 4.25Å; F701-V704 WeakPolarHBondContact O-CB 3.36Å; F701-V704 WeakPolarHBondContact O-CG2 3.29Å; F701-V704 PolarHBondContact O-N 3.38Å; K702-V704 PolarHBondContact O-N 2.92Å; V704-M742 HydrophobicContact CB-CG 4.15Å; V704-M742 HydrophobicContact CB-SD 3.74Å; V704-M742 HydrophobicContact CG1-CG 3.45Å; V704-M742 VanDerWaalsContact CG1-CG 3.45Å; V704-M742 HydrophobicContact CG1-SD 3.69Å; V704-M742 HydrophobicContact CG2-SD 4.27Å; V704-L744 HydrophobicContact CG1-CD2 4.26Å; V704-L744 HydrophobicContact CG2-CD2 4.23Å
705E94.4Very high94.1Very high54 Ų5468.2 Ų68.225%0.25232%0.318SS..EExtended strand (participates in β ladder)trans-76.2134.8177.3-172170.3-169.800112.1R713 G714E705-R713 IonicContact OE1-CZ 3.97Å; E705-R713 IonicContact OE1-NE 3.88Å; E705-R713 PolarHBondContact OE1-NE 2.95Å; E705-R713 IonicContact OE1-NH2 3.53Å; E705-R713 PolarHBondContact OE1-NH2 2.94Å; E705-R713 IonicContact OE2-CZ 3.05Å; E705-R713 IonicContact OE2-NE 2.82Å; E705-R713 IonicContact OE2-NH2 2.67Å; E705-R713 PolarHBondContact OE2-NH2 3.14Å; E705-G714 WeakPolarHBondContact CG-O 3.42Å
706L95.6Very high94.2Very high0 Ų062.5 Ų62.50%030%0.297CS..EExtended strand (participates in β ladder)trans-93.6144.3174-57.4177.8000110.4M691 R713 G714 I716 M726 C728 F730 V740 M742M691-L706 HydrophobicContact SD-CD2 4.22Å; L706-R713 WeakPolarHBondContact O-CA 3.5Å; L706-G714 PolarHBondContact N-O 2.72Å; L706-G714 PolarHBondContact O-N 2.8Å; L706-I716 HydrophobicContact CD1-CG1 3.82Å; L706-I716 HydrophobicContact CD2-CG1 4.49Å; L706-I716 HydrophobicContact CG-CG1 4.29Å; L706-M726 HydrophobicContact CD1-CE 4.4Å; L706-C728 HydrophobicContact CD1-CB 3.98Å; L706-C728 WeakPolarHBondContact CD1-SG 3.45Å; L706-F730 HydrophobicContact CB-CE1 4.26Å; L706-F730 HydrophobicContact CD1-CZ 4.38Å; L706-V740 HydrophobicContact CB-CG1 4.06Å; L706-V740 HydrophobicContact CD1-CG1 4Å; L706-V740 HydrophobicContact CD2-CG1 4.36Å; L706-V740 HydrophobicContact CG-CG1 4.38Å; L706-M742 HydrophobicContact CD2-CB 3.78Å; L706-M742 HydrophobicContact CD2-CG 4.05Å
707R95Very high94.4Very high84 Ų8463.2 Ų63.232%0.31730%0.296SS..EExtended strand (participates in β ladder)trans-129.3160.2170.867177.9179.3152.52.6109.9R712 L741 N743R707-R712 CarbonylContact C-O 3.56Å; R707-R712 VanDerWaalsContact CA-O 3.26Å; R707-R712 WeakPolarHBondContact CA-O 3.4Å; R707-L741 HydrophobicContact CG-CB 3.97Å; R707-L741 PolarHBondContact N-O 2.88Å; R707-L741 WeakPolarHBondContact O-CA 3.3Å; R707-L741 WeakPolarHBondContact O-CB 3.44Å; R707-L741 PolarHBondContact O-N 2.87Å; R707-N743 WeakPolarHBondContact CD-ND2 3.47Å; R707-N743 VanDerWaalsContact NE-CG 3.29Å; R707-N743 PolarHBondContact NE-ND2 2.81Å; R707-N743 PolarHBondContact NE-OD1 3.25Å; R707-N743 PolarHBondContact NH2-OD1 3.46Å
708T94.5Very high94.4Very high7 Ų766.7 Ų66.74%0.04332%0.315CS..EExtended strand (participates in β ladder)trans-116.1163.4172.5800000112W710 G711 R712 F730 L734 D738 T739 V740T708-W710 PolarHBondContact O-N 2.76Å; T708-W710 PolarHBondContact OG1-N 2.96Å; T708-G711 PolarHBondContact O-N 2.95Å; T708-R712 HydrophobicContact CG2-CB 3.9Å; T708-R712 PolarHBondContact N-O 3.03Å; T708-R712 WeakPolarHBondContact OG1-CB 3.26Å; T708-R712 PolarHBondContact OG1-N 2.88Å; T708-R712 VanDerWaalsContact OG1-N 3.14Å; T708-F730 HydrophobicContact CG2-CD1 4.3Å; T708-F730 HydrophobicContact CG2-CE1 3.83Å; T708-F730 HydrophobicContact CG2-CZ 4.49Å; T708-L734 HydrophobicContact CG2-CD2 3.98Å; T708-L734 HydrophobicContact CG2-CG 4.4Å; T708-D738 VanDerWaalsContact CB-CG 3.46Å; T708-D738 VanDerWaalsContact CB-OD1 3.27Å; T708-D738 WeakPolarHBondContact CB-OD1 3.38Å; T708-D738 WeakPolarHBondContact CB-OD2 3.44Å; T708-D738 PolarHBondContact OG1-OD1 2.76Å; T708-D738 PolarHBondContact OG1-OD2 3.15Å; T708-T739 VanDerWaalsContact CA-O 3.31Å; T708-T739 WeakPolarHBondContact CA-O 3.43Å; T708-V740 HydrophobicContact CG2-CG2 4.28Å
709K92.6Very high94.4Very high94 Ų9467.4 Ų67.441%0.40932%0.321SS..THydrogen-bonded Turntrans-60.9-30.2177.1-72.3-174.3178-1780111.4E463 G711 D738 T739 L741E463-K709 WeakPolarHBondContact OE1-CE 3.25Å; E463-K709 IonicContact OE1-NZ 3.03Å; E463-K709 PolarHBondContact OE1-NZ 2.99Å; E463-K709 IonicContact OE2-NZ 3.58Å; K709-G711 VanDerWaalsContact C-N 3.27Å; K709-G711 PolarHBondContact O-N 2.9Å; K709-D738 PolarHBondContact N-OD1 3.16Å; K709-T739 PolarHBondContact N-O 2.91Å; K709-L741 HydrophobicContact CG-CD1 3.72Å; K709-L741 HydrophobicContact CG-CG 4.39Å
710W92.2Very high94.4Very high146 Ų14666.1 Ų66.155%0.55332%0.315SS*.THydrogen-bonded Turntrans-86.512176.5-66.674.9000114.2T708T708-W710 PolarHBondContact O-N 2.76Å; T708-W710 PolarHBondContact OG1-N 2.96Å
711G91.8Very high94.1Very high57 Ų5762.4 Ų62.459%0.58832%0.316SS*.SBendtrans8214.6170.900000115.5T708 K709T708-G711 PolarHBondContact O-N 2.95Å; K709-G711 VanDerWaalsContact C-N 3.27Å; K709-G711 PolarHBondContact O-N 2.9Å
712R94Very high93.7Very high92 Ų9266.9 Ų66.935%0.34734%0.344SS..  trans-76.6152.8171.9-54.3-53.2-175-175.9-2.7110.7R707 T708 D731 N732R707-R712 CarbonylContact C-O 3.56Å; R707-R712 VanDerWaalsContact CA-O 3.26Å; R707-R712 WeakPolarHBondContact CA-O 3.4Å; T708-R712 HydrophobicContact CG2-CB 3.9Å; T708-R712 PolarHBondContact N-O 3.03Å; T708-R712 WeakPolarHBondContact OG1-CB 3.26Å; T708-R712 PolarHBondContact OG1-N 2.88Å; T708-R712 VanDerWaalsContact OG1-N 3.14Å; R712-D731 WeakPolarHBondContact CA-OD1 3.47Å; R712-D731 WeakPolarHBondContact CB-OD1 3.47Å; R712-D731 IonicContact NH1-OD2 3.86Å; R712-N732 PolarHBondContact NH1-ND2 3.12Å; R712-N732 VanDerWaalsContact NH1-ND2 3.13Å
713R95.3Very high93.3Very high129 Ų12969.4 Ų69.449%0.48736%0.357SS..EExtended strand (participates in β ladder)trans-124.9140.1-179.6-68.1178.566.3-1762.9109.6E705 L706 F730 D731E705-R713 IonicContact OE1-CZ 3.97Å; E705-R713 IonicContact OE1-NE 3.88Å; E705-R713 PolarHBondContact OE1-NE 2.95Å; E705-R713 IonicContact OE1-NH2 3.53Å; E705-R713 PolarHBondContact OE1-NH2 2.94Å; E705-R713 IonicContact OE2-CZ 3.05Å; E705-R713 IonicContact OE2-NE 2.82Å; E705-R713 IonicContact OE2-NH2 2.67Å; E705-R713 PolarHBondContact OE2-NH2 3.14Å; L706-R713 WeakPolarHBondContact O-CA 3.5Å; R713-F730 WeakPolarHBondContact O-CA 3.32Å; R713-D731 PolarHBondContact N-OD1 2.92Å; R713-D731 PolarHBondContact O-N 3.38Å; R713-D731 VanDerWaalsContact O-OD1 3.13Å
714G95.1Very high93Very high6 Ų663.8 Ų63.86%0.06232%0.321CS..EExtended strand (participates in β ladder)trans-159.7179.6-177.300000113.3E705 L706 V729E705-G714 WeakPolarHBondContact CG-O 3.42Å; L706-G714 PolarHBondContact N-O 2.72Å; L706-G714 PolarHBondContact O-N 2.8Å; G714-V729 CarbonylContact C-O 3.52Å; G714-V729 WeakPolarHBondContact CA-O 3.48Å
715H95.4Very high93Very high101 Ų10166.2 Ų66.247%0.46833%0.331SS..EExtended strand (participates in β ladder)trans-142.4160.9175.857.9-84.5000109.9C728 V729H715-C728 WeakPolarHBondContact O-CA 3.2Å; H715-V729 PolarHBondContact N-O 3.28Å; H715-V729 PolarHBondContact O-N 3.04Å
716I96.4Very high93.1Very high4 Ų463.7 Ų63.72%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-75.4126.9176.3-59.4172.5000107.8I698 K702 L706 M726I698-I716 HydrophobicContact CG2-CD1 4.42Å; I698-I716 HydrophobicContact CG2-CG2 3.64Å; K702-I716 HydrophobicContact CG-CB 4.49Å; L706-I716 HydrophobicContact CD1-CG1 3.82Å; L706-I716 HydrophobicContact CD2-CG1 4.49Å; L706-I716 HydrophobicContact CG-CG1 4.29Å; I716-M726 HydrophobicContact CD1-SD 3.66Å; I716-M726 HydrophobicContact CG1-SD 3.78Å; I716-M726 HydrophobicContact CG2-CB 4.35Å; I716-M726 HydrophobicContact CG2-SD 4.35Å
717K94.9Very high93.1Very high101 Ų10167.2 Ų67.244%0.43934%0.335SS..EExtended strand (participates in β ladder)trans-82.4-69.2171.6-169.2177.8179.6176.40108.9K702 K727 V729K702-K717 WeakPolarHBondContact CE-O 3.39Å; K702-K717 PolarHBondContact NZ-O 3.33Å; K717-K727 WeakPolarHBondContact CA-O 3.3Å; K717-K727 VanDerWaalsContact CB-O 3.3Å; K717-K727 WeakPolarHBondContact CB-O 3.4Å; K717-K727 HydrophobicContact CD-CD 4.48Å; K717-K727 PolarHBondContact N-O 3.41Å; K717-V729 HydrophobicContact CB-CG2 4.18Å; K717-V729 HydrophobicContact CD-CG2 4.26Å
718D94.1Very high93.1Very high75 Ų7563.2 Ų63.240%0.40132%0.32SS..EExtended strand (participates in β ladder)trans-149157.9-178.2-65.8-49.7000111.9K702 K727K702-D718 IonicContact NZ-OD1 3.78Å; K702-D718 PolarHBondContact NZ-OD1 3.01Å; D718-K727 PolarHBondContact N-O 2.89Å; D718-K727 PolarHBondContact O-N 3.29Å
719A95.4Very high93.3Very high15 Ų1564.9 Ų64.912%0.12433%0.33CS..EExtended strand (participates in β ladder)trans-78.3142.2171.100000110.7R695 I698R695-A719 HydrophobicContact CG-CB 3.86Å; I698-A719 HydrophobicContact CB-CB 3.97Å; I698-A719 HydrophobicContact CD1-CB 3.79Å; I698-A719 HydrophobicContact CG2-CB 3.84Å
720L92.2Very high93.4Very high69 Ų6960.8 Ų60.836%0.36131%0.312SS..EExtended strand (participates in β ladder)trans-117.4126.4178-61.8177.7000109.2V687 H725 K727V687-L720 HydrophobicContact CG1-CD1 3.96Å; V687-L720 HydrophobicContact CG2-CD1 3.84Å; L720-H725 HydrophobicContact CB-CB 4.04Å; L720-H725 PolarHBondContact N-O 2.97Å; L720-H725 WeakPolarHBondContact O-CB 3.37Å; L720-H725 VanDerWaalsContact O-O 3.14Å; L720-K727 HydrophobicContact CD1-CB 4.1Å; L720-K727 HydrophobicContact CG-CB 4.32Å
721G88.6Confident93.6Very high49 Ų4957 Ų5751%0.50530%0.303SS..THydrogen-bonded Turntrans63.4-159.6179.600000113.8
722T86.6Confident93.6Very high98 Ų9857.7 Ų57.760%0.60129%0.293SS*.THydrogen-bonded Turntrans-101.6-30.4-177.447.80000112.8G724T722-G724 VanDerWaalsContact C-N 3.25Å; T722-G724 PolarHBondContact O-N 3.24Å; T722-G724 VanDerWaalsContact O-N 3.12Å
723H86.1Confident93.6Very high141 Ų14158.9 Ų58.965%0.65330%0.303SS*.THydrogen-bonded Turntrans-81.923-172.6-58.2-70000115.7F693 H725F693-H723 CarbonylContact O-C 3.52Å; F693-H723 WeakPolarHBondContact O-CA 3.5Å; H723-H725 PolarHBondContact O-N 3.07Å
724G88.1Confident93.6Very high2 Ų253.3 Ų53.32%0.02128%0.282CS..THydrogen-bonded Turntrans74.723.9173.800000115.5F692 F693 T722F692-G724 WeakPolarHBondContact O-CA 3.49Å; F693-G724 PolarHBondContact O-N 2.88Å; T722-G724 VanDerWaalsContact C-N 3.25Å; T722-G724 PolarHBondContact O-N 3.24Å; T722-G724 VanDerWaalsContact O-N 3.12Å
725H94.6Very high93.4Very high66 Ų6660.3 Ų60.331%0.30631%0.307SS..EExtended strand (participates in β ladder)trans-74.9143.5166.1-64.2-58000110.4V687 R689 I698 L720 H723V687-H725 HydrophobicContact CG1-CB 4.37Å; R689-H725 WeakPolarHBondContact CB-ND1 3.31Å; I698-H725 VanDerWaalsContact CD1-O 3.29Å; I698-H725 WeakPolarHBondContact CD1-O 3.06Å; L720-H725 HydrophobicContact CB-CB 4.04Å; L720-H725 PolarHBondContact N-O 2.97Å; L720-H725 WeakPolarHBondContact O-CB 3.37Å; L720-H725 VanDerWaalsContact O-O 3.14Å; H723-H725 PolarHBondContact O-N 3.07Å
726M95.9Very high93.2Very high1 Ų159.3 Ų59.31%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-139.3142.1178.959.7-179.8-175.700112V687 V688 M691 F692 I698 L706 I716V687-M726 CarbonylContact C-O 3.5Å; V687-M726 VanDerWaalsContact CA-O 3.31Å; V687-M726 WeakPolarHBondContact CA-O 3.26Å; V688-M726 HydrophobicContact CB-CE 3.85Å; V688-M726 HydrophobicContact CB-CG 4.1Å; V688-M726 HydrophobicContact CG1-CE 3.82Å; V688-M726 HydrophobicContact CG2-CE 4.46Å; V688-M726 PolarHBondContact N-O 3.48Å; V688-M726 PolarHBondContact O-N 3.4Å; V688-M726 VanDerWaalsContact O-N 3.16Å; M691-M726 HydrophobicContact CB-CE 3.98Å; M691-M726 HydrophobicContact CE-CE 4.19Å; M691-M726 HydrophobicContact CG-CE 4.24Å; M691-M726 HydrophobicContact SD-CE 3.47Å; M691-M726 WeakPolarHBondContact SD-CE 2.97Å; F692-M726 HydrophobicContact CD2-SD 4.24Å; F692-M726 HydrophobicContact CE2-SD 4.41Å; I698-M726 HydrophobicContact CD1-CB 3.96Å; I698-M726 HydrophobicContact CG1-CB 4.3Å; I698-M726 HydrophobicContact CG1-SD 4.48Å; I698-M726 HydrophobicContact CG2-CB 3.83Å; I698-M726 HydrophobicContact CG2-SD 4.27Å; L706-M726 HydrophobicContact CD1-CE 4.4Å; I716-M726 HydrophobicContact CD1-SD 3.66Å; I716-M726 HydrophobicContact CG1-SD 3.78Å; I716-M726 HydrophobicContact CG2-CB 4.35Å; I716-M726 HydrophobicContact CG2-SD 4.35Å
727K96.2Very high93Very high75 Ų7566.9 Ų66.933%0.32635%0.346SS..EExtended strand (participates in β ladder)trans-88.3120.6171.9-171.7170.7-176.8171.40108.4K717 D718 L720K717-K727 WeakPolarHBondContact CA-O 3.3Å; K717-K727 VanDerWaalsContact CB-O 3.3Å; K717-K727 WeakPolarHBondContact CB-O 3.4Å; K717-K727 HydrophobicContact CD-CD 4.48Å; K717-K727 PolarHBondContact N-O 3.41Å; D718-K727 PolarHBondContact N-O 2.89Å; D718-K727 PolarHBondContact O-N 3.29Å; L720-K727 HydrophobicContact CD1-CB 4.1Å; L720-K727 HydrophobicContact CG-CB 4.32Å
728C96.4Very high93Very high0 Ų062.1 Ų62.10%033%0.326CS..EExtended strand (participates in β ladder)trans-114.3148.2179-59.90000110.4S685 A686 V688 L706 H715 F730S685-C728 CarbonylContact C-O 3.58Å; S685-C728 WeakPolarHBondContact CA-O 3.34Å; A686-C728 PolarHBondContact N-O 2.96Å; A686-C728 PolarHBondContact O-N 3.45Å; V688-C728 HydrophobicContact CG2-CB 4.25Å; L706-C728 HydrophobicContact CD1-CB 3.98Å; L706-C728 WeakPolarHBondContact CD1-SG 3.45Å; H715-C728 WeakPolarHBondContact O-CA 3.2Å; C728-F730 HydrophobicContact CB-CE2 3.47Å; C728-F730 VanDerWaalsContact CB-CE2 3.47Å; C728-F730 HydrophobicContact CB-CZ 3.89Å; C728-F730 HydrophobicContact CB-CD2 4.23Å
729V96.7Very high93Very high42 Ų4260.2 Ų60.226%0.25532%0.317SS..EExtended strand (participates in β ladder)trans-113.8134174.3177.40000108.6R684 G714 H715 K717R684-V729 WeakPolarHBondContact O-CA 2.91Å; G714-V729 CarbonylContact C-O 3.52Å; G714-V729 WeakPolarHBondContact CA-O 3.48Å; H715-V729 PolarHBondContact N-O 3.28Å; H715-V729 PolarHBondContact O-N 3.04Å; K717-V729 HydrophobicContact CB-CG2 4.18Å; K717-V729 HydrophobicContact CD-CG2 4.26Å
730F96.5Very high93Very high7 Ų759.5 Ų59.53%0.03131%0.311CS..EExtended strand (participates in β ladder)trans-124.4161.6-178.4-64.4-91.4000111.6R684 A686 L706 T708 R713 C728 N732 L734 V740R684-F730 PolarHBondContact O-N 3.12Å; A686-F730 HydrophobicContact CB-CD2 4.49Å; A686-F730 HydrophobicContact CB-CE2 4.2Å; L706-F730 HydrophobicContact CB-CE1 4.26Å; L706-F730 HydrophobicContact CD1-CZ 4.38Å; T708-F730 HydrophobicContact CG2-CD1 4.3Å; T708-F730 HydrophobicContact CG2-CE1 3.83Å; T708-F730 HydrophobicContact CG2-CZ 4.49Å; R713-F730 WeakPolarHBondContact O-CA 3.32Å; C728-F730 HydrophobicContact CB-CE2 3.47Å; C728-F730 VanDerWaalsContact CB-CE2 3.47Å; C728-F730 HydrophobicContact CB-CZ 3.89Å; C728-F730 HydrophobicContact CB-CD2 4.23Å; F730-N732 VanDerWaalsContact C-N 3.28Å; F730-N732 PolarHBondContact O-N 3.28Å; F730-L734 HydrophobicContact CG-CG 4.5Å; F730-L734 HydrophobicContact CZ-CD2 3.91Å; F730-L734 HydrophobicContact CZ-CD1 4.25Å; F730-L734 HydrophobicContact CG-CD1 3.27Å; F730-L734 HydrophobicContact CE2-CG 4.46Å; F730-L734 HydrophobicContact CE2-CD2 3.83Å; F730-L734 HydrophobicContact CE2-CD1 3.71Å; F730-L734 HydrophobicContact CE1-CD1 4.31Å; F730-L734 HydrophobicContact CD2-CG 4.35Å; F730-L734 HydrophobicContact CD2-CD2 4.22Å; F730-L734 HydrophobicContact CB-CD1 3.56Å; F730-L734 HydrophobicContact CD2-CD1 3.2Å; F730-L734 HydrophobicContact CD1-CD1 3.85Å; F730-L734 HydrophobicContact CE1-CD2 4.34Å; F730-V740 HydrophobicContact CZ-CG2 3.79Å; F730-V740 HydrophobicContact CZ-CG1 3.82Å; F730-V740 HydrophobicContact CE1-CG2 4.49Å; F730-V740 HydrophobicContact CE1-CG1 4.21Å
731D94.9Very high93.2Very high67 Ų6756.7 Ų56.736%0.35830%0.296SS..SBendtrans-57.8-41175.765.9-54000112.3R712 R713R712-D731 WeakPolarHBondContact CA-OD1 3.47Å; R712-D731 WeakPolarHBondContact CB-OD1 3.47Å; R712-D731 IonicContact NH1-OD2 3.86Å; R713-D731 PolarHBondContact N-OD1 2.92Å; R713-D731 PolarHBondContact O-N 3.38Å; R713-D731 VanDerWaalsContact O-OD1 3.13Å
732N93.2Very high93.5Very high72 Ų7254.4 Ų54.439%0.38527%0.272SS..SBendtrans-138.9169.6-177.1-74.2-62.6000111.4R712 F730R712-N732 PolarHBondContact NH1-ND2 3.12Å; R712-N732 VanDerWaalsContact NH1-ND2 3.13Å; F730-N732 VanDerWaalsContact C-N 3.28Å; F730-N732 PolarHBondContact O-N 3.28Å
733Q93.3Very high93.9Very high117 Ų11750.8 Ų50.855%0.54725%0.25SC..PPolyproline II helixtrans-64.7134.4177.7-166.8172.15.400111.6I681 R683I681-Q733 HydrophobicContact CG2-CG 4.1Å; R683-Q733 WeakPolarHBondContact O-CA 3.29Å; R683-Q733 WeakPolarHBondContact O-CB 3.32Å; R683-Q733 PolarHBondContact O-N 3.27Å
734L94.8Very high94.4Very high12 Ų1244.1 Ų44.16%0.06322%0.219CC..PPolyproline II helixtrans-81.4154.4176.6-8575.8000111.3P678 I681 T708 F730 V740P678-L734 HydrophobicContact CB-CD2 4.29Å; I681-L734 HydrophobicContact CD1-CB 4.3Å; I681-L734 HydrophobicContact CG2-CB 4.36Å; T708-L734 HydrophobicContact CG2-CD2 3.98Å; T708-L734 HydrophobicContact CG2-CG 4.4Å; F730-L734 HydrophobicContact CG-CG 4.5Å; F730-L734 HydrophobicContact CZ-CD2 3.91Å; F730-L734 HydrophobicContact CZ-CD1 4.25Å; F730-L734 HydrophobicContact CG-CD1 3.27Å; F730-L734 HydrophobicContact CE2-CG 4.46Å; F730-L734 HydrophobicContact CE2-CD2 3.83Å; F730-L734 HydrophobicContact CE2-CD1 3.71Å; F730-L734 HydrophobicContact CE1-CD1 4.31Å; F730-L734 HydrophobicContact CD2-CG 4.35Å; F730-L734 HydrophobicContact CD2-CD2 4.22Å; F730-L734 HydrophobicContact CB-CD1 3.56Å; F730-L734 HydrophobicContact CD2-CD1 3.2Å; F730-L734 HydrophobicContact CD1-CD1 3.85Å; F730-L734 HydrophobicContact CE1-CD2 4.34Å; L734-V740 HydrophobicContact CD2-CG2 3.78Å
735R92.1Very high94.8Very high153 Ų15344.7 Ų44.758%0.57722%0.22SC*.PPolyproline II helixtrans-88.8151.8166.1-65.3-175.1175.2-166.3-2.4109.7Q737 D738R735-Q737 PolarHBondContact O-N 3.24Å; R735-D738 HydrophobicContact CB-CB 4.45Å; R735-D738 VanDerWaalsContact O-CB 3.27Å; R735-D738 WeakPolarHBondContact O-CB 3.46Å; R735-D738 PolarHBondContact O-N 3.46Å
736S90.6Very high94.8Very high80 Ų8044.3 Ų44.356%0.55922%0.218SC*.THydrogen-bonded Turntrans-63.7-27.7177.6-167.10000113.5D738S736-D738 VanDerWaalsContact C-N 3.3Å
737Q92.7Very high94.8Very high162 Ų16245.3 Ų45.376%0.75722%0.221SC*.THydrogen-bonded Turntrans-85.1-0.8177-64173.4-7.400113.1R735R735-Q737 PolarHBondContact O-N 3.24Å
738D94.1Very high94.7Very high2 Ų242.2 Ų42.21%0.01121%0.209CC..  trans-75.1153.2-179.3-157.3-6.5000110.4P678 T708 K709 R735 S736P678-D738 WeakPolarHBondContact CD-O 3.34Å; P678-D738 VanDerWaalsContact CG-O 3.26Å; P678-D738 WeakPolarHBondContact CG-O 3.44Å; T708-D738 VanDerWaalsContact CB-CG 3.46Å; T708-D738 VanDerWaalsContact CB-OD1 3.27Å; T708-D738 WeakPolarHBondContact CB-OD1 3.38Å; T708-D738 WeakPolarHBondContact CB-OD2 3.44Å; T708-D738 PolarHBondContact OG1-OD1 2.76Å; T708-D738 PolarHBondContact OG1-OD2 3.15Å; K709-D738 PolarHBondContact N-OD1 3.16Å; R735-D738 HydrophobicContact CB-CB 4.45Å; R735-D738 VanDerWaalsContact O-CB 3.27Å; R735-D738 WeakPolarHBondContact O-CB 3.46Å; R735-D738 PolarHBondContact O-N 3.46Å; S736-D738 VanDerWaalsContact C-N 3.3Å
739T94.4Very high94.5Very high35 Ų3543.9 Ų43.922%0.21522%0.215CC..  trans-116.8125.9174.1-45.30000108.4T708 K709 L741T708-T739 VanDerWaalsContact CA-O 3.31Å; T708-T739 WeakPolarHBondContact CA-O 3.43Å; K709-T739 PolarHBondContact N-O 2.91Å; T739-L741 HydrophobicContact CG2-CD2 4.03Å
740V96.1Very high94.4Very high0 Ų042.3 Ų42.30%021%0.206CC..EExtended strand (participates in β ladder)trans-83.1133.9174.7-1740000108.1S675 G676 V688 M691 L706 T708 F730 L734S675-V740 CarbonylContact C-O 3.49Å; S675-V740 WeakPolarHBondContact CA-O 3.41Å; G676-V740 PolarHBondContact N-O 2.85Å; G676-V740 PolarHBondContact O-N 3.13Å; V688-V740 HydrophobicContact CG1-CB 4.25Å; V688-V740 HydrophobicContact CG1-CG2 4.41Å; V688-V740 HydrophobicContact CG2-CB 4.38Å; V688-V740 HydrophobicContact CG2-CG2 3.86Å; M691-V740 HydrophobicContact CE-CB 4.15Å; M691-V740 HydrophobicContact CE-CG1 3.94Å; M691-V740 VanDerWaalsContact CE-O 3.26Å; M691-V740 WeakPolarHBondContact CE-O 3.38Å; L706-V740 HydrophobicContact CB-CG1 4.06Å; L706-V740 HydrophobicContact CD1-CG1 4Å; L706-V740 HydrophobicContact CD2-CG1 4.36Å; L706-V740 HydrophobicContact CG-CG1 4.38Å; T708-V740 HydrophobicContact CG2-CG2 4.28Å; F730-V740 HydrophobicContact CZ-CG2 3.79Å; F730-V740 HydrophobicContact CZ-CG1 3.82Å; F730-V740 HydrophobicContact CE1-CG2 4.49Å; F730-V740 HydrophobicContact CE1-CG1 4.21Å; L734-V740 HydrophobicContact CD2-CG2 3.78Å
741L95.7Very high94.1Very high10 Ų1049.4 Ų49.45%0.05223%0.233CC..EExtended strand (participates in β ladder)trans-128.4135.3-173.8-57.9173.8000109.4V673 L674 R707 K709 T739V673-L741 HydrophobicContact CG1-CB 3.72Å; V673-L741 HydrophobicContact CG1-CD1 4.3Å; V673-L741 HydrophobicContact CG1-CD2 3.74Å; V673-L741 HydrophobicContact CG1-CG 4.12Å; L674-L741 CarbonylContact O-C 3.11Å; L674-L741 VanDerWaalsContact O-CA 3.32Å; L674-L741 WeakPolarHBondContact O-CA 3.47Å; R707-L741 HydrophobicContact CG-CB 3.97Å; R707-L741 PolarHBondContact N-O 2.88Å; R707-L741 WeakPolarHBondContact O-CA 3.3Å; R707-L741 WeakPolarHBondContact O-CB 3.44Å; R707-L741 PolarHBondContact O-N 2.87Å; K709-L741 HydrophobicContact CG-CD1 3.72Å; K709-L741 HydrophobicContact CG-CG 4.39Å; T739-L741 HydrophobicContact CG2-CD2 4.03Å
742M95.3Very high93.9Very high0 Ų049 Ų490%023%0.226CC..EExtended strand (participates in β ladder)trans-114.6129.6171.3-172.6-177.457.800110V673 L674 M691 F692 F701 V704 L706 L744V673-M742 VanDerWaalsContact CA-O 3.31Å; V673-M742 WeakPolarHBondContact CA-O 3.31Å; L674-M742 HydrophobicContact CB-CE 4.31Å; L674-M742 HydrophobicContact CD1-CE 3.5Å; L674-M742 VanDerWaalsContact CD1-CE 3.5Å; L674-M742 HydrophobicContact CG-CE 4.08Å; L674-M742 PolarHBondContact N-O 2.72Å; L674-M742 PolarHBondContact O-N 2.89Å; M691-M742 HydrophobicContact CE-CB 4.47Å; M691-M742 HydrophobicContact SD-CB 3.97Å; F692-M742 HydrophobicContact CE1-CE 4.23Å; F692-M742 HydrophobicContact CE2-CE 4.29Å; F692-M742 HydrophobicContact CZ-CE 3.45Å; F692-M742 VanDerWaalsContact CZ-CE 3.45Å; F692-M742 HydrophobicContact CZ-SD 4.22Å; F701-M742 HydrophobicContact CB-CE 4.29Å; F701-M742 HydrophobicContact CB-SD 3.92Å; F701-M742 HydrophobicContact CD1-CE 4.17Å; F701-M742 HydrophobicContact CD1-SD 4.4Å; F701-M742 HydrophobicContact CG-CE 4.09Å; F701-M742 HydrophobicContact CG-SD 4.3Å; V704-M742 HydrophobicContact CB-CG 4.15Å; V704-M742 HydrophobicContact CB-SD 3.74Å; V704-M742 HydrophobicContact CG1-CG 3.45Å; V704-M742 VanDerWaalsContact CG1-CG 3.45Å; V704-M742 HydrophobicContact CG1-SD 3.69Å; V704-M742 HydrophobicContact CG2-SD 4.27Å; L706-M742 HydrophobicContact CD2-CB 3.78Å; L706-M742 HydrophobicContact CD2-CG 4.05Å; M742-L744 HydrophobicContact CE-CD1 3.77Å; M742-L744 HydrophobicContact SD-CD2 4.3Å; M742-L744 HydrophobicContact CE-CD2 4.02Å; M742-L744 HydrophobicContact CE-CG 3.88Å
743N95.6Very high93.8Very high23 Ų2347.9 Ų47.912%0.12322%0.222CC..EExtended strand (participates in β ladder)trans-98.2123.3178.8-63.1-24.6000111.4R707 Y745R707-N743 WeakPolarHBondContact CD-ND2 3.47Å; R707-N743 VanDerWaalsContact NE-CG 3.29Å; R707-N743 PolarHBondContact NE-ND2 2.81Å; R707-N743 PolarHBondContact NE-OD1 3.25Å; R707-N743 PolarHBondContact NH2-OD1 3.46Å; N743-Y745 HydrophobicContact CB-CE2 3.76Å
744L96.1Very high93.7Very high0 Ų044.8 Ų44.80%021%0.206CC..EExtended strand (participates in β ladder)trans-116.5140.1174.6-65.3-178.2000109.9F476 Y479 R671 I672 L674 F701 V704 M742F476-L744 HydrophobicContact CB-CD1 4.2Å; F476-L744 HydrophobicContact CG-CD1 4.27Å; Y479-L744 HydrophobicContact CD1-CB 3.93Å; Y479-L744 HydrophobicContact CG-CB 4.28Å; R671-L744 CarbonylContact C-O 3.48Å; R671-L744 WeakPolarHBondContact CA-O 3.19Å; I672-L744 PolarHBondContact N-O 3.04Å; I672-L744 PolarHBondContact O-N 3.34Å; L674-L744 HydrophobicContact CD1-CD1 4.06Å; L674-L744 HydrophobicContact CG-CD1 4.4Å; F701-L744 HydrophobicContact CD1-CD1 4.36Å; F701-L744 HydrophobicContact CD1-CD2 4.03Å; F701-L744 HydrophobicContact CE1-CD1 3.83Å; F701-L744 HydrophobicContact CE1-CD2 4.03Å; F701-L744 HydrophobicContact CZ-CD1 4.3Å; V704-L744 HydrophobicContact CG1-CD2 4.26Å; V704-L744 HydrophobicContact CG2-CD2 4.23Å; M742-L744 HydrophobicContact CE-CD1 3.77Å; M742-L744 HydrophobicContact SD-CD2 4.3Å; M742-L744 HydrophobicContact CE-CD2 4.02Å; M742-L744 HydrophobicContact CE-CG 3.88Å
745Y96.1Very high93.4Very high15 Ų1547.2 Ų47.26%0.05922%0.219CC..EExtended strand (participates in β ladder)trans-125.6139-177.9-59.4-87.7000111.1Y479 R480 L482 F485 L669 K670 R671 N743Y479-Y745 WeakPolarHBondContact CA-O 3.26Å; R480-Y745 PolarHBondContact N-O 3.13Å; R480-Y745 PolarHBondContact O-N 3.3Å; L482-Y745 HydrophobicContact CB-CD2 3.85Å; L482-Y745 HydrophobicContact CB-CE2 3.96Å; L482-Y745 HydrophobicContact CD1-CD2 3.77Å; L482-Y745 HydrophobicContact CD1-CE2 4.32Å; L482-Y745 HydrophobicContact CD1-CG 3.92Å; L482-Y745 HydrophobicContact CG-CD2 3.74Å; L482-Y745 HydrophobicContact CG-CE2 4.34Å; L482-Y745 HydrophobicContact CG-CG 4.3Å; F485-Y745 AromaticContact CD2-CD1 3.93Å; F485-Y745 HydrophobicContact CD2-CD1 3.93Å; F485-Y745 AromaticContact CD2-CE1 3.45Å; F485-Y745 HydrophobicContact CD2-CE1 3.45Å; F485-Y745 VanDerWaalsContact CD2-CE1 3.45Å; F485-Y745 AromaticContact CD2-CZ 3.92Å; F485-Y745 AromaticContact CE2-CD1 3.97Å; F485-Y745 HydrophobicContact CE2-CD1 3.97Å; F485-Y745 AromaticContact CE2-CE1 3.81Å; F485-Y745 HydrophobicContact CE2-CE1 3.81Å; F485-Y745 HydrophobicContact CG-CE1 4.5Å; L669-Y745 HydrophobicContact CB-CD1 4.47Å; K670-Y745 WeakPolarHBondContact O-CA 3.29Å; R671-Y745 HydrophobicContact CB-CD1 3.97Å; R671-Y745 HydrophobicContact CB-CE1 3.79Å; R671-Y745 HydrophobicContact CG-CD1 4.17Å; R671-Y745 HydrophobicContact CG-CE1 3.67Å; N743-Y745 HydrophobicContact CB-CE2 3.76Å
746K94.9Very high93Very high57 Ų5742.3 Ų42.325%0.24821%0.207CC..EExtended strand (participates in β ladder)trans-132.7148.8163.791.7173.7-169.7-166.30110.9R478 Y479 L669 K670 V748R478-K746 HydrophobicContact CB-CD 4.44Å; R478-K746 WeakPolarHBondContact O-CB 3.27Å; Y479-K746 HydrophobicContact CD1-CB 3.84Å; Y479-K746 HydrophobicContact CD1-CG 4.4Å; Y479-K746 HydrophobicContact CD2-CB 4.38Å; Y479-K746 HydrophobicContact CD2-CD 4.35Å; Y479-K746 HydrophobicContact CE1-CB 3.86Å; Y479-K746 HydrophobicContact CE1-CD 4.19Å; Y479-K746 HydrophobicContact CE1-CG 3.9Å; Y479-K746 HydrophobicContact CE2-CB 4.43Å; Y479-K746 HydrophobicContact CE2-CD 3.75Å; Y479-K746 HydrophobicContact CE2-CG 4.35Å; Y479-K746 HydrophobicContact CG-CB 4.09Å; L669-K746 CarbonylContact C-O 3.36Å; L669-K746 WeakPolarHBondContact CA-O 3.1Å; K670-K746 HydrophobicContact CB-CG 4.47Å; K670-K746 PolarHBondContact N-O 2.96Å; K670-K746 PolarHBondContact O-N 3.43Å; K746-V748 HydrophobicContact CG-CG2 3.96Å
747R95.1Very high92.3Very high22 Ų2243.9 Ų43.98%0.08321%0.208CC..EExtended strand (participates in β ladder)trans-72.4137.3169.9-170.4170177.2-162.75.2110.9W490 P492 E494 V667 V668 L669 Y749W490-R747 HydrophobicContact CZ2-CB 3.72Å; P492-R747 PolarHBondContact O-NH1 2.73Å; P492-R747 PolarHBondContact O-NH2 2.81Å; E494-R747 PolarHBondContact O-NH1 3.5Å; V667-R747 HydrophobicContact CG1-CG 4.19Å; V668-R747 WeakPolarHBondContact O-CA 3.48Å; L669-R747 HydrophobicContact CD2-CB 3.86Å; L669-R747 HydrophobicContact CD2-CG 4.36Å; R747-Y749 WeakPolarHBondContact CD-OH 3.44Å; R747-Y749 HydrophobicContact CG-CE1 4.24Å; R747-Y749 HydrophobicContact CG-CE2 4.04Å; R747-Y749 VanDerWaalsContact CZ-CE1 3.49Å; R747-Y749 PolarHBondContact NE-OH 2.92Å; R747-Y749 PolarHBondContact NH1-OH 3.29Å
748V94Very high91.4Very high11 Ų1137.4 Ų37.47%0.06718%0.18CC..  trans-126.4136.4178.7-172.10000109.1I603 M615 V668 K670 K746I603-V748 HydrophobicContact CD1-CB 4.42Å; I603-V748 HydrophobicContact CD1-CG1 3.67Å; M615-V748 HydrophobicContact SD-CB 4.33Å; M615-V748 HydrophobicContact SD-CG1 4.33Å; M615-V748 HydrophobicContact SD-CG2 4.27Å; V668-V748 PolarHBondContact O-N 3.13Å; K670-V748 HydrophobicContact CB-CG2 3.42Å; K670-V748 VanDerWaalsContact CB-CG2 3.42Å; K670-V748 HydrophobicContact CD-CG2 4.4Å; K746-V748 HydrophobicContact CG-CG2 3.96Å
749Y93.6Very high89.9Confident34 Ų3442.8 Ų42.813%0.13321%0.208CC..  trans-111.7148.9179.4-55.6-85.1000110E494 N495 L496 P497 Y500 I603 R747E494-Y749 PolarHBondContact O-OH 3.47Å; E494-Y749 VanDerWaalsContact O-OH 3.13Å; N495-Y749 PolarHBondContact O-OH 3.49Å; L496-Y749 HydrophobicContact CD2-CE1 4.04Å; P497-Y749 HydrophobicContact CG-CD1 4.11Å; P497-Y749 HydrophobicContact CG-CD2 3.34Å; P497-Y749 HydrophobicContact CG-CE1 4.44Å; P497-Y749 HydrophobicContact CG-CE2 3.81Å; P497-Y749 HydrophobicContact CG-CG 3.49Å; P497-Y749 VanDerWaalsContact CG-CG 3.49Å; Y500-Y749 HydrophobicContact CD2-CD1 4.06Å; Y500-Y749 HydrophobicContact CD2-CE1 4.41Å; Y500-Y749 HydrophobicContact CE1-CD1 4.46Å; Y500-Y749 HydrophobicContact CE1-CE1 4.31Å; Y500-Y749 AromaticContact CE2-CD1 3.24Å; Y500-Y749 HydrophobicContact CE2-CD1 3.24Å; Y500-Y749 AromaticContact CE2-CE1 3.81Å; Y500-Y749 HydrophobicContact CE2-CE1 3.81Å; Y500-Y749 HydrophobicContact CE2-CG 4.07Å; Y500-Y749 AromaticContact CZ-CD1 3.49Å; Y500-Y749 VanDerWaalsContact CZ-CD1 3.49Å; Y500-Y749 AromaticContact CZ-CE1 3.74Å; Y500-Y749 WeakPolarHBondContact OH-CD1 3.38Å; I603-Y749 WeakPolarHBondContact CD1-O 3.35Å; R747-Y749 WeakPolarHBondContact CD-OH 3.44Å; R747-Y749 HydrophobicContact CG-CE1 4.24Å; R747-Y749 HydrophobicContact CG-CE2 4.04Å; R747-Y749 VanDerWaalsContact CZ-CE1 3.49Å; R747-Y749 PolarHBondContact NE-OH 2.92Å; R747-Y749 PolarHBondContact NH1-OH 3.29Å
750P93.1Very high88.1Confident10 Ų1043.9 Ų43.97%0.06522%0.215CC..  trans-60.2162173.923.6-28.5000110.5I603 Y630I603-P750 HydrophobicContact CD1-CB 4.35Å; I603-P750 VanDerWaalsContact CD1-N 3.34Å; I603-P750 HydrophobicContact CG1-CB 4.45Å; Y630-P750 HydrophobicContact CD1-CG 4.31Å; Y630-P750 HydrophobicContact CD2-CB 4.15Å; Y630-P750 HydrophobicContact CD2-CG 3.95Å; Y630-P750 HydrophobicContact CE1-CG 4.06Å; Y630-P750 HydrophobicContact CE2-CB 4.11Å; Y630-P750 HydrophobicContact CE2-CG 3.73Å; Y630-P750 WeakPolarHBondContact CE2-O 2.97Å; Y630-P750 HydrophobicContact CG-CG 4.25Å
751R90.4Very high86.2Confident155 Ų15545 Ų4559%0.58522%0.222SC*.  trans-90.7145.9174.2-70.6-174.8169.4178.5-2.9109.5Y630 T753Y630-R751 WeakPolarHBondContact CD2-O 3.23Å; R751-T753 VanDerWaalsContact C-N 3.33Å; R751-T753 HydrophobicContact CB-CG2 4.09Å; R751-T753 PolarHBondContact O-N 2.8Å
752W90.9Very high83.4Confident59 Ų5948.5 Ų48.522%0.22325%0.247CC..  trans-76.383.8172.3-165.1-81.8000110.3E317 D499 R502 I503 M566 Y630E317-W752 HydrophobicContact CG-CH2 4.27Å; E317-W752 HydrophobicContact CG-CZ2 4.05Å; E317-W752 VanDerWaalsContact OE1-CZ2 3.31Å; E317-W752 WeakPolarHBondContact OE1-CZ2 3.16Å; D499-W752 HydrophobicContact CB-CE3 4.19Å; R502-W752 HydrophobicContact CB-CH2 4.21Å; R502-W752 HydrophobicContact CB-CZ3 4.29Å; I503-W752 HydrophobicContact CG2-CH2 4.4Å; I503-W752 HydrophobicContact CG2-CZ3 3.8Å; M566-W752 HydrophobicContact CB-CH2 4.05Å; M566-W752 HydrophobicContact CE-CH2 3.78Å; M566-W752 HydrophobicContact CE-CZ2 3.6Å; M566-W752 HydrophobicContact CE-CZ3 4.48Å; M566-W752 HydrophobicContact CG-CH2 4.15Å; M566-W752 HydrophobicContact CG-CZ2 4.46Å; Y630-W752 HydrophobicContact CD1-CE3 4.35Å; Y630-W752 HydrophobicContact CD1-CZ3 4.38Å; Y630-W752 HydrophobicContact CD2-CB 4.39Å; Y630-W752 AromaticContact CD2-CE3 3.9Å; Y630-W752 HydrophobicContact CD2-CE3 3.9Å; Y630-W752 HydrophobicContact CE2-CE3 4.3Å; Y630-W752 AromaticContact CG-CE3 3.92Å; Y630-W752 HydrophobicContact CG-CE3 3.92Å; Y630-W752 HydrophobicContact CG-CZ3 4.27Å
753T90.7Very high80.6Confident49 Ų4953.3 Ų53.330%0.30127%0.268SS..  trans-126.329.1179.853.10000111.9R599 S601 R751 D755R599-T753 VanDerWaalsContact O-O 3.04Å; S601-T753 VanDerWaalsContact CB-OG1 3.25Å; S601-T753 WeakPolarHBondContact CB-OG1 3.33Å; S601-T753 PolarHBondContact N-OG1 3.46Å; S601-T753 PolarHBondContact OG-OG1 2.81Å; R751-T753 VanDerWaalsContact C-N 3.33Å; R751-T753 HydrophobicContact CB-CG2 4.09Å; R751-T753 PolarHBondContact O-N 2.8Å; T753-D755 PolarHBondContact O-N 3.07Å
754Y91Very high77.6Confident51 Ų5156.7 Ų56.720%0.229%0.285CS..  trans-70.3116.5178.8174.8-99.9000110.3M566 F598 A631 P632 P756M566-Y754 HydrophobicContact CE-CD1 3.67Å; M566-Y754 HydrophobicContact CE-CD2 4.36Å; M566-Y754 HydrophobicContact CE-CE1 4.39Å; M566-Y754 HydrophobicContact CE-CG 3.65Å; M566-Y754 HydrophobicContact SD-CD1 4.4Å; F598-Y754 HydrophobicContact CB-CD2 3.9Å; F598-Y754 HydrophobicContact CB-CE2 3.38Å; F598-Y754 AromaticContact CD1-CE2 3.92Å; F598-Y754 HydrophobicContact CD1-CE2 3.92Å; F598-Y754 AromaticContact CD2-CD2 3.74Å; F598-Y754 HydrophobicContact CD2-CD2 3.74Å; F598-Y754 AromaticContact CD2-CE2 3.82Å; F598-Y754 HydrophobicContact CD2-CE2 3.82Å; F598-Y754 HydrophobicContact CE2-CD2 4.41Å; F598-Y754 AromaticContact CG-CD2 3.87Å; F598-Y754 HydrophobicContact CG-CD2 3.87Å; F598-Y754 AromaticContact CG-CE2 3.45Å; F598-Y754 HydrophobicContact CG-CE2 3.45Å; F598-Y754 VanDerWaalsContact CG-CE2 3.45Å; A631-Y754 HydrophobicContact CB-CD2 4.44Å; P632-Y754 HydrophobicContact CG-CE1 4.28Å; P632-Y754 HydrophobicContact CG-CE2 3.99Å; P632-Y754 WeakPolarHBondContact CG-OH 3.34Å; Y754-P756 HydrophobicContact CE1-CG 4.44Å; Y754-P756 HydrophobicContact CE1-CB 4.34Å
755D89.3Confident74.3Confident63 Ų6358.6 Ų58.634%0.33731%0.305SS..BIsolated β-bridgetrans-123.5118.1171.1-173.2-4.3000109.9F598 R599 T753 L757F598-D755 CarbonylContact C-O 3.56Å; F598-D755 WeakPolarHBondContact CA-O 3.26Å; F598-D755 VanDerWaalsContact CB-O 3.29Å; F598-D755 WeakPolarHBondContact CB-O 3.27Å; R599-D755 HydrophobicContact CB-CB 4.34Å; R599-D755 PolarHBondContact N-O 3.29Å; R599-D755 PolarHBondContact O-N 2.79Å; T753-D755 PolarHBondContact O-N 3.07Å; D755-L757 VanDerWaalsContact C-N 3.27Å; D755-L757 PolarHBondContact O-N 3.47Å; D755-L757 PolarHBondContact OD1-N 3.33Å
756P83.1Confident71Confident51 Ų5163.4 Ų63.433%0.33134%0.338SS..  trans-70.7-19.4177.329-34.9000113.6Y754 V758Y754-P756 HydrophobicContact CE1-CG 4.44Å; Y754-P756 HydrophobicContact CE1-CB 4.34Å; P756-V758 PolarHBondContact O-N 3.1Å
757L75.8Confident67.9Low112 Ų11264.2 Ų64.259%0.58636%0.362SS*.  trans-84.9114.6-177.9-64.9173.5000110.5D755D755-L757 VanDerWaalsContact C-N 3.27Å; D755-L757 PolarHBondContact O-N 3.47Å; D755-L757 PolarHBondContact OD1-N 3.33Å
758V74Confident64.7Low27 Ų2770.7 Ų70.716%0.16439%0.394CS..  trans-110118.6173.4-177.20000108.4V590 R597 R599 P756V590-V758 HydrophobicContact CG1-CG1 3.67Å; V590-V758 HydrophobicContact CG1-CG2 4.11Å; V590-V758 HydrophobicContact CG2-CG1 4.46Å; R597-V758 HydrophobicContact CB-CG2 4.02Å; R599-V758 HydrophobicContact CG-CG2 4.24Å; P756-V758 PolarHBondContact O-N 3.1Å
759L63Low61.4Low115 Ų11573.3 Ų73.360%0.60242%0.423SS*.PPolyproline II helixtrans-61.5141.7174.5-63.8176.5000110.2
760T57.5Low58.2Low57 Ų5777.5 Ų77.535%0.3545%0.454SS..PPolyproline II helixtrans-69137.5177.3-51.50000109.2K552K552-T760 PolarHBondContact NZ-OG1 3.08Å
761P55Low55Low24 Ų2481.8 Ų81.816%0.15649%0.491CS..PPolyproline II helixtrans-63.9140.3177.827.4-34.4000110H97 G649 Q651H97-P761 WeakPolarHBondContact CD2-CD 3.2Å; H97-P761 WeakPolarHBondContact NE2-CD 3.12Å; G649-P761 VanDerWaalsContact O-CA 3.23Å; G649-P761 WeakPolarHBondContact O-CA 3.18Å; G649-P761 WeakPolarHBondContact O-CB 3.49Å; Q651-P761 HydrophobicContact CG-CB 4.33Å
762C37.3Very low52Low84 Ų8479.3 Ų79.357%0.56850%0.497SS*.PPolyproline II helixtrans-85.4138.6171.3-66.40000109.1
763F36.4Very low49.1Very low101 Ų10185.2 Ų85.244%0.44353%0.532SS..PPolyproline II helixtrans-89.4125.9-180-177.9-111.6000110.8D94 G765D94-F763 HydrophobicContact CB-CD2 4.03Å; D94-F763 HydrophobicContact CB-CE2 4.18Å; D94-F763 HydrophobicContact CB-CG 4.29Å; D94-F763 WeakPolarHBondContact OD1-CE2 3.3Å; D94-F763 WeakPolarHBondContact OD1-CZ 3.41Å; F763-G765 VanDerWaalsContact CE1-CA 3.5Å
764L33Very low46Very low93 Ų9391.4 Ų91.449%0.48756%0.558SS.*PPolyproline II helixtrans-91.7121161.4-80.9157.6000107.4D648 V650D648-L764 HydrophobicContact CB-CD1 4.35Å; V650-L764 HydrophobicContact CG2-CD1 4.26Å
765G26.8Very low43Very low41 Ų4192.4 Ų92.442%0.42358%0.583SS.*PPolyproline II helixtrans-56160-177.100000114.3F763 G767F763-G765 VanDerWaalsContact CE1-CA 3.5Å; G765-G767 PolarHBondContact O-N 3.49Å
766P26.5Very low40.1Very low115 Ų11596 Ų9675%0.74761%0.61SS**THydrogen-bonded Turntrans-64.3100176.426.8-31.3000109
767G29.5Very low37.4Very low74 Ų7497.1 Ų97.176%0.76363%0.63SS**THydrogen-bonded Turntrans169-16-175.600000115.3G765G765-G767 PolarHBondContact O-N 3.49Å
768Q27.6Very low35.2Very low159 Ų159103.4 Ų103.474%0.74365%0.646SS**  trans-133.281.5172.4-70.8-177.511.800110
769G25.3Very low33Very low65 Ų65113.8 Ų113.867%0.6768%0.683SS**  trans-80157.2157.500000109.9A771G769-A771 PolarHBondContact O-N 3.07Å
770P25.9Very low31.3Very low122 Ų122120.1 Ų120.179%0.79270%0.699SS**  trans-61.7126.2172.726.5-31.9000109S772P770-S772 PolarHBondContact O-N 3.34Å
771A25.4Very low29.9Very low101 Ų101129.3 Ų129.384%0.83573%0.727SS**  trans-62.5100.9174.900000109.2G769 L773G769-A771 PolarHBondContact O-N 3.07Å; A771-L773 PolarHBondContact O-N 3.04Å
772S27.3Very low28.6Very low103 Ų103140.2 Ų140.272%0.7277%0.765SS**  trans-64.6118.3165.846.30000108.9P770 E774P770-S772 PolarHBondContact O-N 3.34Å; S772-E774 PolarHBondContact O-N 3.38Å
773L29.9Very low28Very low183 Ų183139.7 Ų139.796%0.95877%0.774SS**  trans-58.389.8170.9-78.5150000110.6A771A771-L773 PolarHBondContact O-N 3.04Å
774E27Very low27.6Very low179 Ų179144.6 Ų144.684%0.83680%0.798SS**  trans-114.1118.7159.3-74.9-162.1158.600109.2S772S772-E774 PolarHBondContact O-N 3.38Å
775G26.8Very low27.3Very low71 Ų71149.4 Ų149.473%0.73282%0.815SS**  trans-64152-176.700000113.9G777G775-G777 PolarHBondContact O-N 3.15Å; G775-G777 VanDerWaalsContact O-N 3.13Å
776P30Very low27.4Very low140 Ų140153.5 Ų153.591%0.90983%0.832SS**  trans-80.6104.4-168.330.3-32.5000112.7R778P776-R778 PolarHBondContact O-N 3.05Å
777G25.2Very low27.4Very low73 Ų73159.3 Ų159.375%0.75384%0.839SS**  trans-74.6113.4162.600000112G775 R779G775-G777 PolarHBondContact O-N 3.15Å; G775-G777 VanDerWaalsContact O-N 3.13Å; G777-R779 PolarHBondContact O-N 3.04Å
778R29Very low27.5Very low245 Ų245161.1 Ų161.193%0.92584%0.837SS**  trans-49.2120.9174.8-76178.2170.1-163.7-1.8113P776P776-R778 PolarHBondContact O-N 3.05Å
779R28.1Very low27.6Very low245 Ų245158.7 Ų158.793%0.92584%0.838SS**  trans-136.6116.7152.9-81-168.3173.3-171.3-1.1112.7G777G777-R779 PolarHBondContact O-N 3.04Å
780R27.2Very low27.9Very low248 Ų248161.4 Ų161.494%0.93684%0.844SS**  trans-59.8133.6170.9-69.4173.7166.7-178.1-4.7111
781R27.9Very low28.2Very low250 Ų250165.3 Ų165.394%0.94385%0.848SS**  trans-135132.9150.8-85.3-168.4169.1-177.3-2.3112.1
782R28.6Very low28.6Very low252 Ų252166.3 Ų166.395%0.95185%0.846SS**  trans-64.2146.8-177.1-74.6170.7163.2-177.5-6.2111.6
783G24.4Very low28.6Very low74 Ų74166.1 Ų166.176%0.76385%0.851SS**  trans-77.3164175.700000114.9
784Q28.2Very low28.5Very low203 Ų203162.6 Ų162.695%0.94985%0.848SS**  trans-138.2133.1152.9-90.2-179.210.900108.8
785K26.9Very low28.6Very low194 Ų194158.8 Ų158.884%0.84385%0.847SS**  trans-82.6140.3-177.5-70.3168.8159.51750110.9
786T27.9Very low28.6Very low127 Ų127161.3 Ų161.378%0.77985%0.854SS**  139.3148.2109.449.20000106.9
787R28.1Very low28.6Very low237 Ų237159.2 Ų159.289%0.89485%0.849SS**  cis-161.9170.323.2-121.1167.5-173-146.63.5108.9
788P31.8Very low29Very low112 Ų112161.6 Ų161.673%0.72785%0.851SS**  trans-101.1149.3-162.537.4-31000116.6
789S27.8Very low28.9Very low109 Ų109154.6 Ų154.676%0.76285%0.845SS**  trans39.2148.4148.877.50000122
790P33.6Very low28.9Very low122 Ų122151.3 Ų151.379%0.79285%0.845SS**  -140.4154.781.633.8-16.3000115.6
791K31.9Very low28.9Very low203 Ų203150.8 Ų150.888%0.88384%0.843SS**  trans-66.9159.2165.9-72.2179.1174.3179.20110.8
792P32.8Very low28.9Very low122 Ų122144.2 Ų144.279%0.79284%0.836SS**  -142.6151.511432.9-16.3000116.5
793A26.9Very low28.8Very low99 Ų99136.5 Ų136.582%0.81882%0.82SS**  trans55.4100.9142.800000120.8
794A28.4Very low29Very low109 Ų109140.2 Ų140.290%0.90182%0.822SS**PPolyproline II helixtrans-91.7119.8152.600000108.8
795A29.5Very low28.9Very low99 Ų99137.6 Ų137.682%0.81881%0.813SS**PPolyproline II helixtrans-92.2137.1170.400000109.8
796S27Very low29.2Very low125 Ų125136.1 Ų136.187%0.87481%0.814SS**PPolyproline II helixtrans-62.7142.8178.150.20000114.2
797A29.1Very low29.5Very low96 Ų96136 Ų13679%0.79382%0.815SS**  trans-127.8141.1155.600000109.7
798P34Very low29.5Very low123 Ų123127.9 Ų127.980%0.79981%0.806SS**  trans-96.1155.1-16237-33000113.8
799A27.3Very low29.4Very low97 Ų97128.7 Ų128.780%0.80281%0.809SS**  trans-71.6138.4165.100000111.3
800L27.8Very low29.4Very low176 Ų176132.1 Ų132.192%0.92181%0.813SS**  trans-132.4120.8158-89.3165.4000109
801R27.3Very low29.2Very low237 Ų237129.6 Ų129.689%0.89481%0.808SS**  trans-85.8169172.1-92.7-176.1169.8-175.8-3.1111
802S27.1Very low29Very low113 Ų113131.3 Ų131.379%0.7981%0.809SS**  trans88142.4164.288.70000114
803S27.1Very low28.7Very low90 Ų90133 Ų13363%0.62981%0.811SS**  cis178.7178-12.943.10000105.7
804L28Very low28.7Very low152 Ų152137.6 Ų137.680%0.79681%0.813SS**  trans93133.2166.6-47159.3000114.5
805L27.3Very low28.7Very low147 Ų147140.8 Ų140.877%0.7781%0.809SS**  cis-171.4129.6-12.5-112.2166.4000104.1
806L32.9Very low28.5Very low164 Ų164141.6 Ų141.686%0.85981%0.808SS**  trans-85.4152.8159.1-78.1163.2000108.2
807P33.5Very low28.5Very low123 Ų123143 Ų14380%0.79980%0.804SS**  trans-117.8123.3146.731.6-19.4000110.3
808G28.2Very low28.3Very low68 Ų68149.4 Ų149.470%0.70181%0.808SS**  trans-105.4148.9153.100000109.5
809T30.3Very low28Very low128 Ų128149.7 Ų149.779%0.78581%0.807SS**  trans177.6139158.632.20000104.1
810E28.3Very low27.9Very low182 Ų182155.6 Ų155.685%0.8581%0.809SS**  cis-162.5150.713.5-110.7169-175.100107.3
811G28.4Very low28Very low68 Ų68152.9 Ų152.970%0.70180%0.799SS**  trans-89.3159.4170.100000112.8
812R28.5Very low27.9Very low240 Ų240152 Ų15291%0.90680%0.796SS**  trans159.7121.1138.8-89.7171.1-170.6-158.34.5109.3
813L26.4Very low28.2Very low156 Ų156152.1 Ų152.182%0.81779%0.792SS**  166125.2104.2-106.9124.3000111.2
814F27.1Very low28.8Very low196 Ų196154 Ų15486%0.8680%0.802SS**  trans-57.4134.1156-98.2-104.1000110.6
815Q26.7Very low29Very low176 Ų176152.3 Ų152.382%0.82280%0.798SS**  trans-160120.5140.7-119.7170.86.800113
816C27.1Very low29.4Very low117 Ų117154.4 Ų154.479%0.79180%0.804SS**  trans-55.5135.8157.3-81.20000111.4
817L26.6Very low29.2Very low154 Ų154152.3 Ų152.381%0.80680%0.803SS**  trans-163.399.6146.7-107.1131.9000109
818R25.2Very low29.3Very low230 Ų230158 Ų15887%0.86881%0.809SS**  63.810094.1-125.2179.9-171.9171.61.8113.8
819V27.9Very low29.8Very low129 Ų129170 Ų17078%0.78283%0.833SS**  trans-15.3127.5148.6-179.70000114V821V819-V821 HydrophobicContact CG1-CG2 4.24Å
820R25Very low29.8Very low221 Ų221172.1 Ų172.183%0.83484%0.835SS**  trans-139.497.4157.7-128.2178.4-173173.23.1110.4
821V29.5Very low29.8Very low119 Ų119171.6 Ų171.672%0.72184%0.835SS**  trans-62.6129.8160.1175.70000107.9V819V819-V821 HydrophobicContact CG1-CG2 4.24Å
822R25.8Very low29.9Very low219 Ų219177.3 Ų177.383%0.82684%0.842SS**  trans-130.1104.8163.5-91.7-174.1172174.7-3108.3
823T31.8Very low30Very low115 Ų115173.6 Ų173.671%0.70684%0.838SS**PPolyproline II helixtrans-73.9145.215843.10000109.3
824P40.6Very low30.2Very low129 Ų129174.8 Ų174.884%0.83884%0.84SS**PPolyproline II helixtrans-92.9127.5164.332.2-25.8000110.2
825T31.9Very low30.4Very low118 Ų118173.3 Ų173.372%0.72484%0.838SS**PPolyproline II helixtrans-91132.3168.439.70000111
826E35.9Very low30.7Very low190 Ų190173.1 Ų173.189%0.88884%0.839SS**  trans63.4120.9139.8-66.5-178.1142.600120.9
827S29.2Very low31Very low121 Ų121177.5 Ų177.585%0.84684%0.843SS**  trans-125113.6140.860.80000109.7
828R35.1Very low31.4Very low242 Ų242179.4 Ų179.491%0.91385%0.846SS**  trans-128.2116.7145.2-111.8-173.8177.5-175.11105.6
829R38.4Very low31.9Very low320 Ų320174.8 Ų174.8100%1.20884%0.844SS**  trans81.30176.9-64.3-173.6175.4-176.3-1117.3

Retrieved 829 of 829 residues in 317.4 ms (Link to these results)

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