A0A3Q0KRM3_SCHMA Loading...

Enhancer of mRNA-decapping protein 4

AlphaFold DB , UniProt , Accession A0A3Q0KRM3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 684 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
1M31.6Very low63.4Low237 Ų23768.8 Ų68.8100%1.16743%0.433SS*.  0112.80-83.8-173.2154.100108.3
2S42.4Very low65.9Low63 Ų6364 Ų6444%0.44140%0.403SS..  trans169.9101.2150.951.80000106.6F4S2-F4 WeakPolarHBondContact O-CD2 3.42Å; S2-F4 PolarHBondContact O-N 3.18Å; S2-F4 WeakPolarHBondContact OG-CE2 3.41Å; S2-F4 WeakPolarHBondContact OG-CZ 3.32Å
3G39.6Very low68.2Low54 Ų5459.1 Ų59.156%0.55737%0.372SS*.  trans-63.3106.4169.900000107.8S5G3-S5 PolarHBondContact O-N 3.22Å; G3-S5 VanDerWaalsContact O-N 3.15Å
4F47.5Very low70.2Confident118 Ų11858.5 Ų58.552%0.51836%0.359SS..  trans-81.888.5174.7-73.1-78.3000107.6S2 L571S2-F4 WeakPolarHBondContact O-CD2 3.42Å; S2-F4 PolarHBondContact O-N 3.18Å; S2-F4 WeakPolarHBondContact OG-CE2 3.41Å; S2-F4 WeakPolarHBondContact OG-CZ 3.32Å; F4-L571 HydrophobicContact CE1-CD2 4.43Å; F4-L571 HydrophobicContact CZ-CD2 4.36Å
5S51.1Low71.9Confident46 Ų4655.7 Ų55.732%0.32234%0.342SS..  trans-81.3114.2155.6-171.40000106.4G3G3-S5 PolarHBondContact O-N 3.22Å; G3-S5 VanDerWaalsContact O-N 3.15Å
6A61.5Low73.3Confident49 Ų4952.6 Ų52.641%0.40532%0.323SS..  trans-115.5112.1174.900000107.5L620 V621A6-L620 HydrophobicContact CB-CB 4.49Å; A6-L620 HydrophobicContact CB-CD1 4.48Å; A6-L620 HydrophobicContact CB-CD2 4.18Å; A6-V621 WeakPolarHBondContact CA-O 3.42Å
7L70.6Confident74.5Confident45 Ų4551.6 Ų51.624%0.23632%0.315CS..EExtended strand (participates in β ladder)trans-81.8122.4169.9-175.665.6000108.1F9 I44 V59 V621L7-F9 HydrophobicContact CB-CE2 4.11Å; L7-F9 HydrophobicContact CD2-CE2 3.72Å; L7-F9 HydrophobicContact CD2-CZ 3.62Å; L7-F9 HydrophobicContact CG-CD2 4.48Å; L7-F9 HydrophobicContact CG-CE2 3.8Å; L7-F9 HydrophobicContact CG-CZ 4.19Å; L7-F9 WeakPolarHBondContact O-CD2 3.38Å; L7-I44 HydrophobicContact CD2-CG2 3.76Å; L7-V59 HydrophobicContact CB-CB 4.45Å; L7-V59 HydrophobicContact CB-CG1 4.24Å; L7-V59 HydrophobicContact CD2-CG1 3.89Å; L7-V621 PolarHBondContact O-N 2.92Å
8G82.5Confident75.4Confident53 Ų5349.4 Ų49.455%0.54630%0.302SS..EExtended strand (participates in β ladder)trans-86.3135.2176.500000111.8R619G8-R619 WeakPolarHBondContact CA-O 3.44Å
9F90Very high76Confident14 Ų1446.8 Ų46.86%0.06129%0.286CS..  trans-108.4151.3176.6-73.1-99.7000111.5L7 Y11 L13 V26 D42 I44 R619 V621L7-F9 HydrophobicContact CB-CE2 4.11Å; L7-F9 HydrophobicContact CD2-CE2 3.72Å; L7-F9 HydrophobicContact CD2-CZ 3.62Å; L7-F9 HydrophobicContact CG-CD2 4.48Å; L7-F9 HydrophobicContact CG-CE2 3.8Å; L7-F9 HydrophobicContact CG-CZ 4.19Å; L7-F9 WeakPolarHBondContact O-CD2 3.38Å; F9-Y11 HydrophobicContact CB-CD1 4.45Å; F9-Y11 HydrophobicContact CB-CE1 4.36Å; F9-Y11 AromaticContact CD1-CE1 3.84Å; F9-Y11 HydrophobicContact CD1-CE1 3.84Å; F9-Y11 AromaticContact CD1-CZ 3.79Å; F9-Y11 PolarHBondContact O-N 3.44Å; F9-L13 HydrophobicContact CB-CD2 4.21Å; F9-L13 HydrophobicContact CB-CG 4.48Å; F9-L13 HydrophobicContact CD1-CD2 4.16Å; F9-L13 HydrophobicContact CD2-CD1 3.76Å; F9-L13 HydrophobicContact CD2-CD2 4.24Å; F9-L13 HydrophobicContact CD2-CG 4.36Å; F9-L13 HydrophobicContact CE2-CD1 4.13Å; F9-L13 HydrophobicContact CG-CD1 4.27Å; F9-L13 HydrophobicContact CG-CD2 3.92Å; F9-L13 HydrophobicContact CG-CG 4.38Å; F9-V26 HydrophobicContact CD1-CG2 4.42Å; F9-V26 HydrophobicContact CE1-CG2 3.54Å; F9-V26 HydrophobicContact CE2-CG2 4.46Å; F9-V26 HydrophobicContact CZ-CG2 3.57Å; F9-D42 HydrophobicContact CE1-CB 4.16Å; F9-I44 HydrophobicContact CE1-CG2 4.4Å; F9-I44 HydrophobicContact CZ-CG2 3.72Å; F9-R619 HydrophobicContact CB-CB 4.28Å; F9-R619 PolarHBondContact N-O 3.01Å; F9-R619 VanDerWaalsContact O-CB 3.26Å; F9-R619 WeakPolarHBondContact O-CB 3.18Å; F9-R619 WeakPolarHBondContact O-CD 3.29Å; F9-V621 HydrophobicContact CD2-CG2 4.28Å; F9-V621 HydrophobicContact CE2-CG2 3.55Å; F9-V621 HydrophobicContact CZ-CG2 4.31Å
10P88.9Confident76.2Confident78 Ų7845.4 Ų45.451%0.50628%0.277SS..SBendtrans-74-6.1175.925.2-25.9000113.1P38 R619P10-P38 HydrophobicContact CB-CG 4.47Å; P10-P38 HydrophobicContact CG-CG 4.41Å; P10-R619 PolarHBondContact O-NH1 3.49Å; P10-R619 VanDerWaalsContact O-NH1 3.15Å
11Y92.2Very high76.3Confident0 Ų050 Ų500%029%0.289CS..SBendtrans-135157-176.760.4-88.9000111.6F9 L13 P38 R40 D42 R619F9-Y11 HydrophobicContact CB-CD1 4.45Å; F9-Y11 HydrophobicContact CB-CE1 4.36Å; F9-Y11 AromaticContact CD1-CE1 3.84Å; F9-Y11 HydrophobicContact CD1-CE1 3.84Å; F9-Y11 AromaticContact CD1-CZ 3.79Å; F9-Y11 PolarHBondContact O-N 3.44Å; Y11-L13 HydrophobicContact CD2-CD2 4.13Å; Y11-L13 HydrophobicContact CE2-CD2 3.54Å; Y11-P38 WeakPolarHBondContact CB-O 3.14Å; Y11-P38 HydrophobicContact CD1-CG 4.19Å; Y11-R40 HydrophobicContact CD1-CB 4.31Å; Y11-R40 HydrophobicContact CD1-CG 4.41Å; Y11-R40 HydrophobicContact CE1-CB 3.75Å; Y11-R40 HydrophobicContact CE1-CG 4.2Å; Y11-R40 HydrophobicContact CE2-CB 4.37Å; Y11-D42 WeakPolarHBondContact OH-CB 3.46Å; Y11-D42 VanDerWaalsContact OH-CG 3.31Å; Y11-D42 PolarHBondContact OH-OD2 3.45Å; Y11-D42 VanDerWaalsContact OH-OD2 3.13Å; Y11-R619 WeakPolarHBondContact O-CB 3.33Å; Y11-R619 WeakPolarHBondContact O-CG 3.37Å
12P93.5Very high78.6Confident11 Ų1141.7 Ų41.77%0.07125%0.249CC..  trans-70.7137.6177.131.1-35.3000110.9Y14 G28 G29 V617P12-Y14 HydrophobicContact CG-CE2 4.37Å; P12-G28 CarbonylContact O-C 3.51Å; P12-G28 VanDerWaalsContact O-CA 3.3Å; P12-G28 WeakPolarHBondContact O-CA 3.37Å; P12-G29 WeakPolarHBondContact CG-O 3.38Å; P12-G29 PolarHBondContact O-N 3.25Å; P12-G29 VanDerWaalsContact O-N 3.09Å; P12-V617 HydrophobicContact CB-CB 4.22Å; P12-V617 HydrophobicContact CB-CG1 3.66Å
13L95.1Very high80.8Confident0 Ų038.7 Ų38.70%023%0.228CC..EExtended strand (participates in β ladder)trans-92.5131.9-178.3-60.7176.9000110.3F9 Y11 V26 T580 V615 S616 V621F9-L13 HydrophobicContact CB-CD2 4.21Å; F9-L13 HydrophobicContact CB-CG 4.48Å; F9-L13 HydrophobicContact CD1-CD2 4.16Å; F9-L13 HydrophobicContact CD2-CD1 3.76Å; F9-L13 HydrophobicContact CD2-CD2 4.24Å; F9-L13 HydrophobicContact CD2-CG 4.36Å; F9-L13 HydrophobicContact CE2-CD1 4.13Å; F9-L13 HydrophobicContact CG-CD1 4.27Å; F9-L13 HydrophobicContact CG-CD2 3.92Å; F9-L13 HydrophobicContact CG-CG 4.38Å; Y11-L13 HydrophobicContact CD2-CD2 4.13Å; Y11-L13 HydrophobicContact CE2-CD2 3.54Å; L13-V26 HydrophobicContact CD2-CB 4.16Å; L13-V26 HydrophobicContact CD2-CG2 4.34Å; L13-T580 WeakPolarHBondContact O-CB 3.39Å; L13-T580 WeakPolarHBondContact O-CG2 3.49Å; L13-T580 PolarHBondContact O-OG1 2.76Å; L13-V615 HydrophobicContact CB-CB 3.85Å; L13-V615 HydrophobicContact CB-CG1 4.47Å; L13-V615 HydrophobicContact CB-CG2 4.25Å; L13-V615 HydrophobicContact CD1-CB 3.99Å; L13-V615 HydrophobicContact CD1-CG1 3.85Å; L13-S616 PolarHBondContact N-O 3.35Å; L13-S616 CarbonylContact O-C 3.54Å; L13-V621 HydrophobicContact CD1-CG2 3.63Å
14Y95.7Very high83.2Confident51 Ų5136.2 Ų36.220%0.220%0.202CC..EExtended strand (participates in β ladder)trans-114.6-30178-62.3-51.4000113.1P12 A27 G29 A71 M73 T580 A581 V617P12-Y14 HydrophobicContact CG-CE2 4.37Å; Y14-A27 PolarHBondContact N-O 3.03Å; Y14-G29 WeakPolarHBondContact CE2-O 3.46Å; Y14-G29 PolarHBondContact OH-O 3.37Å; Y14-A71 HydrophobicContact CE2-CB 4.49Å; Y14-M73 HydrophobicContact CD2-CE 4.35Å; Y14-M73 HydrophobicContact CD2-CG 3.78Å; Y14-M73 HydrophobicContact CE2-CE 3.87Å; Y14-M73 HydrophobicContact CE2-CG 4.24Å; Y14-M73 HydrophobicContact CG-CG 4.2Å; Y14-T580 HydrophobicContact CD1-CG2 3.96Å; Y14-A581 WeakPolarHBondContact O-CB 3.28Å; Y14-V617 HydrophobicContact CE1-CG2 3.99Å
15V96Very high85.4Confident16 Ų1630.6 Ų30.610%0.09718%0.178CC..EExtended strand (participates in β ladder)trans-132.3143.3-176.5-168.10000110.5V26 A27 M73 L75V15-V26 WeakPolarHBondContact O-CA 3.44Å; V15-A27 PolarHBondContact N-O 3.02Å; V15-A27 PolarHBondContact O-N 3.48Å; V15-M73 VanDerWaalsContact CG2-C 3.46Å; V15-M73 VanDerWaalsContact CG2-O 3.31Å; V15-M73 WeakPolarHBondContact CG2-O 3.46Å; V15-L75 HydrophobicContact CB-CB 4.31Å; V15-L75 HydrophobicContact CG1-CB 3.91Å; V15-L75 HydrophobicContact CG1-CD2 4.37Å; V15-L75 HydrophobicContact CG2-CB 4.4Å
16V95Very high87.5Confident7 Ų728.4 Ų28.44%0.04216%0.162CC..EExtended strand (participates in β ladder)trans-137.6135166.462.50000108.7L24 V25 V26 A581 T583 V613 V615V16-L24 HydrophobicContact CG2-CD1 4.49Å; V16-V25 VanDerWaalsContact CA-O 3.3Å; V16-V25 WeakPolarHBondContact CA-O 3.46Å; V16-V26 HydrophobicContact CB-CG1 4.24Å; V16-V26 HydrophobicContact CG2-CG1 3.89Å; V16-A581 HydrophobicContact CG1-CB 3.99Å; V16-T583 HydrophobicContact CG1-CG2 4.09Å; V16-T583 HydrophobicContact CG2-CG2 3.98Å; V16-V613 HydrophobicContact CG2-CG1 4.32Å; V16-V615 HydrophobicContact CB-CG1 3.83Å; V16-V615 HydrophobicContact CB-CG2 3.93Å; V16-V615 HydrophobicContact CG1-CG1 4.06Å; V16-V615 HydrophobicContact CG1-CG2 3.75Å; V16-V615 HydrophobicContact CG2-CG1 4.3Å
17D93.6Very high89.1Confident35 Ų3526.1 Ų26.119%0.18714%0.143CC..EExtended strand (participates in β ladder)trans-146.5160.9174.6-158.22.6000110.7L24 V25 L75 V77D17-L24 WeakPolarHBondContact O-CA 3.41Å; D17-V25 PolarHBondContact N-O 3.47Å; D17-V25 PolarHBondContact O-N 2.95Å; D17-L75 HydrophobicContact CB-CD2 4.32Å; D17-V77 HydrophobicContact CB-CB 4.45Å; D17-V77 HydrophobicContact CB-CG2 3.81Å; D17-V77 PolarHBondContact OD2-N 3.1Å
18V90.4Very high90.2Very high13 Ų1324 Ų248%0.07913%0.132CC..EExtended strand (participates in β ladder)trans-88.5122.4-175-1780000110.1D20 L24 V77 T583 F584 L585 R586V18-D20 WeakPolarHBondContact CG1-O 3.36Å; V18-L24 HydrophobicContact CB-CD2 4.17Å; V18-L24 HydrophobicContact CG1-CD2 4.3Å; V18-L24 HydrophobicContact CG2-CD2 3.81Å; V18-V77 WeakPolarHBondContact O-CG1 3.38Å; V18-T583 HydrophobicContact CG2-CG2 3.82Å; V18-F584 WeakPolarHBondContact CG2-O 3.43Å; V18-L585 HydrophobicContact CG2-CD2 4.08Å; V18-R586 HydrophobicContact CG1-CB 4.44Å
19L87Confident90.7Very high0 Ų021.4 Ų21.40%011%0.106CC..  trans-87.9-48.6174.9-177.665.9000111.8S23 V25 I43 V77 P80 G81 V99 W173L19-S23 WeakPolarHBondContact CB-O 3.38Å; L19-S23 PolarHBondContact N-O 3.27Å; L19-V25 HydrophobicContact CB-CG2 4.04Å; L19-V25 HydrophobicContact CD1-CG2 4.39Å; L19-V25 HydrophobicContact CD2-CG2 4.45Å; L19-I43 HydrophobicContact CD2-CD1 3.85Å; L19-I43 HydrophobicContact CD2-CG1 4.42Å; L19-I43 HydrophobicContact CD2-CG2 4.02Å; L19-V77 HydrophobicContact CD1-CG1 4.06Å; L19-P80 CarbonylContact O-C 3.59Å; L19-P80 WeakPolarHBondContact O-CA 3.39Å; L19-P80 WeakPolarHBondContact O-CB 3.42Å; L19-G81 PolarHBondContact O-N 3.43Å; L19-V99 HydrophobicContact CD1-CB 4.14Å; L19-V99 HydrophobicContact CD1-CG1 4.08Å; L19-V99 HydrophobicContact CD1-CG2 4.1Å; L19-V99 HydrophobicContact CD2-CG1 3.64Å; L19-V99 HydrophobicContact CG-CG1 4.47Å; L19-W173 HydrophobicContact CD2-CD2 4.13Å; L19-W173 HydrophobicContact CD2-CE3 4.23Å; L19-W173 HydrophobicContact CD2-CH2 4.18Å; L19-W173 HydrophobicContact CD2-CZ2 4.09Å; L19-W173 HydrophobicContact CD2-CZ3 4.25Å
20D80.8Confident90.4Very high18 Ų1822 Ų2210%0.09612%0.115CC..SBendtrans-150.3-166.3175.677.85.9000110.1V18 N22 S23 W173V18-D20 WeakPolarHBondContact CG1-O 3.36Å; D20-N22 PolarHBondContact O-N 3.36Å; D20-N22 VanDerWaalsContact OD1-C 3.28Å; D20-N22 WeakPolarHBondContact OD1-CA 3.37Å; D20-N22 PolarHBondContact OD1-N 2.84Å; D20-S23 PolarHBondContact N-O 3.37Å; D20-S23 WeakPolarHBondContact OD1-CA 3.24Å; D20-S23 WeakPolarHBondContact OD1-CB 3.4Å; D20-S23 PolarHBondContact OD1-N 3.28Å; D20-S23 PolarHBondContact OD1-OG 2.89Å; D20-W173 WeakPolarHBondContact OD2-CZ2 3.32Å
21R76.6Confident89.7Confident143 Ų14319.3 Ų19.354%0.5410%0.103SC..SBendtrans-60.6-27.7178.759.5173.4-178.5-111.1-3.8115.2R48R21-R48 PolarHBondContact O-NH1 2.91Å
22N81.2Confident88.4Confident61 Ų6123.5 Ų23.533%0.32613%0.132SC..SBendtrans-127.75-170.3-70.10.1000112.5D20 N45 L46 R48D20-N22 PolarHBondContact O-N 3.36Å; D20-N22 VanDerWaalsContact OD1-C 3.28Å; D20-N22 WeakPolarHBondContact OD1-CA 3.37Å; D20-N22 PolarHBondContact OD1-N 2.84Å; N22-N45 CarbonylContact O-C 3.6Å; N22-N45 WeakPolarHBondContact O-CA 3.17Å; N22-L46 WeakPolarHBondContact O-CB 3.21Å; N22-L46 PolarHBondContact O-N 3.46Å; N22-R48 PolarHBondContact OD1-NH1 2.88Å
23S87.5Confident86.7Confident1 Ų127.3 Ų27.31%0.00715%0.154CC..EExtended strand (participates in β ladder)trans-138.1137.2-173.2-59.30000110.7L19 D20 I44 N45 W173L19-S23 WeakPolarHBondContact CB-O 3.38Å; L19-S23 PolarHBondContact N-O 3.27Å; D20-S23 PolarHBondContact N-O 3.37Å; D20-S23 WeakPolarHBondContact OD1-CA 3.24Å; D20-S23 WeakPolarHBondContact OD1-CB 3.4Å; D20-S23 PolarHBondContact OD1-N 3.28Å; D20-S23 PolarHBondContact OD1-OG 2.89Å; S23-I44 CarbonylContact C-O 3.59Å; S23-I44 WeakPolarHBondContact CA-O 3.31Å; S23-N45 PolarHBondContact OG-OD1 2.95Å; S23-W173 PolarHBondContact OG-NE1 2.77Å; S23-W173 VanDerWaalsContact OG-NE1 3.17Å
24L90.8Very high85.3Confident1 Ų136.9 Ų36.91%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-122149.8176.9-54.7175.1000109.8V16 D17 V18 I43 I44 L46 L585 V613V16-L24 HydrophobicContact CG2-CD1 4.49Å; D17-L24 WeakPolarHBondContact O-CA 3.41Å; V18-L24 HydrophobicContact CB-CD2 4.17Å; V18-L24 HydrophobicContact CG1-CD2 4.3Å; V18-L24 HydrophobicContact CG2-CD2 3.81Å; L24-I43 WeakPolarHBondContact O-CA 3.46Å; L24-I44 HydrophobicContact CB-CD1 3.99Å; L24-I44 HydrophobicContact CB-CG1 3.65Å; L24-I44 HydrophobicContact CD1-CD1 4.12Å; L24-I44 HydrophobicContact CG-CG1 4.41Å; L24-I44 PolarHBondContact N-O 3.41Å; L24-I44 PolarHBondContact O-N 3.31Å; L24-L46 HydrophobicContact CD1-CD1 4.06Å; L24-L46 HydrophobicContact CD1-CD2 4.25Å; L24-L46 HydrophobicContact CG-CD1 4.02Å; L24-L46 HydrophobicContact CG-CG 4.48Å; L24-L585 HydrophobicContact CD1-CD2 4.12Å; L24-L585 HydrophobicContact CD2-CD2 3.55Å; L24-L585 HydrophobicContact CG-CD2 4.37Å; L24-V613 HydrophobicContact CD1-CB 4.27Å; L24-V613 HydrophobicContact CD1-CG1 4.1Å; L24-V613 HydrophobicContact CD1-CG2 3.94Å
25V93.2Very high84Confident0 Ų038 Ų380%021%0.209CC..EExtended strand (participates in β ladder)trans-100.4130.8168.9174.30000107.5V16 D17 L19 I41 I43 L75 V77 I86V16-V25 VanDerWaalsContact CA-O 3.3Å; V16-V25 WeakPolarHBondContact CA-O 3.46Å; D17-V25 PolarHBondContact N-O 3.47Å; D17-V25 PolarHBondContact O-N 2.95Å; L19-V25 HydrophobicContact CB-CG2 4.04Å; L19-V25 HydrophobicContact CD1-CG2 4.39Å; L19-V25 HydrophobicContact CD2-CG2 4.45Å; V25-I41 HydrophobicContact CG1-CG2 3.72Å; V25-I43 HydrophobicContact CG2-CG1 4.08Å; V25-L75 HydrophobicContact CG1-CD1 3.86Å; V25-L75 HydrophobicContact CG1-CD2 3.92Å; V25-V77 HydrophobicContact CB-CG2 4.24Å; V25-V77 HydrophobicContact CG2-CG2 4.06Å; V25-I86 HydrophobicContact CB-CD1 4.37Å; V25-I86 HydrophobicContact CG1-CD1 3.97Å; V25-I86 HydrophobicContact CG2-CD1 3.46Å; V25-I86 VanDerWaalsContact CG2-CD1 3.46Å; V25-I86 HydrophobicContact CG2-CG1 4.14Å
26V94.9Very high83.3Confident0 Ų040.9 Ų40.90%024%0.241CC..EExtended strand (participates in β ladder)trans-124.1140.3171.6-65.80000109.5F9 L13 V15 V16 D42 I44 V615 V621F9-V26 HydrophobicContact CD1-CG2 4.42Å; F9-V26 HydrophobicContact CE1-CG2 3.54Å; F9-V26 HydrophobicContact CE2-CG2 4.46Å; F9-V26 HydrophobicContact CZ-CG2 3.57Å; L13-V26 HydrophobicContact CD2-CB 4.16Å; L13-V26 HydrophobicContact CD2-CG2 4.34Å; V15-V26 WeakPolarHBondContact O-CA 3.44Å; V16-V26 HydrophobicContact CB-CG1 4.24Å; V16-V26 HydrophobicContact CG2-CG1 3.89Å; V26-D42 HydrophobicContact CG2-CB 4.15Å; V26-D42 WeakPolarHBondContact CG2-O 3.22Å; V26-D42 PolarHBondContact N-O 2.88Å; V26-D42 PolarHBondContact O-N 2.91Å; V26-D42 VanDerWaalsContact O-O 3.14Å; V26-I44 HydrophobicContact CG1-CD1 4.1Å; V26-I44 HydrophobicContact CG2-CG2 4.41Å; V26-V615 HydrophobicContact CG1-CG1 4.47Å; V26-V621 HydrophobicContact CG1-CG2 4.2Å
27A95.6Very high83Confident1 Ų142.1 Ų42.11%0.00825%0.249CC..EExtended strand (participates in β ladder)trans-142.6152.8-178.900000111.8Y14 V15 R40 I41 V72 L75Y14-A27 PolarHBondContact N-O 3.03Å; V15-A27 PolarHBondContact N-O 3.02Å; V15-A27 PolarHBondContact O-N 3.48Å; A27-R40 WeakPolarHBondContact CA-O 3.45Å; A27-I41 HydrophobicContact CB-CB 4.46Å; A27-I41 HydrophobicContact CB-CG1 4Å; A27-V72 HydrophobicContact CB-CB 3.87Å; A27-V72 HydrophobicContact CB-CG1 3.7Å; A27-L75 HydrophobicContact CB-CD1 3.91Å
28G94.4Very high82.8Confident0 Ų042.4 Ų42.40%025%0.252CS..EExtended strand (participates in β ladder)trans173.5-160.9178.900000112.9P12 R40P12-G28 CarbonylContact O-C 3.51Å; P12-G28 VanDerWaalsContact O-CA 3.3Å; P12-G28 WeakPolarHBondContact O-CA 3.37Å; G28-R40 PolarHBondContact N-O 2.81Å; G28-R40 VanDerWaalsContact N-O 3.11Å; G28-R40 PolarHBondContact O-N 2.88Å
29G91.9Very high82.8Confident0 Ų041.9 Ų41.90%025%0.249CC..  trans160.2168.1-179.500000115.9P12 Y14 G31 P38 N39P12-G29 WeakPolarHBondContact CG-O 3.38Å; P12-G29 PolarHBondContact O-N 3.25Å; P12-G29 VanDerWaalsContact O-N 3.09Å; Y14-G29 WeakPolarHBondContact CE2-O 3.46Å; Y14-G29 PolarHBondContact OH-O 3.37Å; G29-G31 PolarHBondContact O-N 2.92Å; G29-P38 WeakPolarHBondContact CA-O 3.05Å; G29-N39 VanDerWaalsContact C-OD1 3.3Å; G29-N39 WeakPolarHBondContact CA-OD1 3.4Å
30G83.7Confident83.1Confident25 Ų2544.4 Ų44.426%0.25826%0.259SS..  trans-78.51.6-179.500000115.4T35 N39G30-T35 WeakPolarHBondContact O-CG2 2.86Å; G30-N39 PolarHBondContact N-OD1 3.29Å
31G73.9Confident83.8Confident23 Ų2343.6 Ų43.624%0.23725%0.254CS..SBendtrans86.8-139.3-169.300000110.7G29 N39G29-G31 PolarHBondContact O-N 2.92Å; G31-N39 PolarHBondContact N-OD1 2.95Å; G31-N39 PolarHBondContact O-ND2 3.44Å; G31-N39 PolarHBondContact O-OD1 3.42Å
32S65.5Low84.6Confident88 Ų8836.8 Ų36.862%0.61523%0.229SC*.SBendtrans-66.2147-176.563.70000112.4K34S32-K34 PolarHBondContact O-N 3.26Å
33V58.1Low85.1Confident90 Ų9033.9 Ų33.955%0.54521%0.213SC..G310 helixtrans-36.6-27.2-171.8-166.80000117.3T35 T69V33-T35 VanDerWaalsContact C-N 3.29Å; V33-T35 PolarHBondContact O-N 3.49Å; V33-T69 HydrophobicContact CG2-CG2 3.06Å
34K64.6Low85.2Confident201 Ų20133.9 Ų33.987%0.87421%0.213SC*.G310 helixtrans-83.45-166.2-64.4-175.5179.3178.70115S32S32-K34 PolarHBondContact O-N 3.26Å
35T70.1Confident85Confident76 Ų7634 Ų3447%0.46621%0.214SC..G310 helixtrans-88-15.7-179.160.20000113.7G30 V33 V37G30-T35 WeakPolarHBondContact O-CG2 2.86Å; V33-T35 VanDerWaalsContact C-N 3.29Å; V33-T35 PolarHBondContact O-N 3.49Å; T35-V37 PolarHBondContact O-N 3.38Å; T35-V37 PolarHBondContact OG1-N 3.49Å
36G81.1Confident84.3Confident75 Ų7534.2 Ų34.277%0.77322%0.215SC*.SBendtrans72.35.9-170.800000113.7
37V88.1Confident83.2Confident34 Ų3436.6 Ų36.621%0.20622%0.224CC..  trans-100.5125175.6178.20000108.1T35T35-V37 PolarHBondContact O-N 3.38Å; T35-V37 PolarHBondContact OG1-N 3.49Å
38P88.9Confident81.8Confident40 Ų4040.1 Ų40.126%0.2624%0.237SC..  trans-71.5151.3-175.131-36.1000111.6P10 Y11 G29 R40P10-P38 HydrophobicContact CB-CG 4.47Å; P10-P38 HydrophobicContact CG-CG 4.41Å; Y11-P38 WeakPolarHBondContact CB-O 3.14Å; Y11-P38 HydrophobicContact CD1-CG 4.19Å; G29-P38 WeakPolarHBondContact CA-O 3.05Å; P38-R40 HydrophobicContact CB-CG 4.01Å
39N92.2Very high79.8Confident2 Ų246.2 Ų46.21%0.01127%0.27CS..  trans-105.6121.4172.5-60.6-49000108.6G29 G30 G31 D66 T67 G68 T69 E70 A71G29-N39 VanDerWaalsContact C-OD1 3.3Å; G29-N39 WeakPolarHBondContact CA-OD1 3.4Å; G30-N39 PolarHBondContact N-OD1 3.29Å; G31-N39 PolarHBondContact N-OD1 2.95Å; G31-N39 PolarHBondContact O-ND2 3.44Å; G31-N39 PolarHBondContact O-OD1 3.42Å; N39-D66 VanDerWaalsContact O-OD1 3.11Å; N39-T67 VanDerWaalsContact C-OG1 3.29Å; N39-T67 VanDerWaalsContact CB-OG1 3.31Å; N39-T67 WeakPolarHBondContact CB-OG1 3.21Å; N39-T67 PolarHBondContact O-N 3.49Å; N39-T67 PolarHBondContact O-OG1 3.16Å; N39-G68 PolarHBondContact ND2-O 3.43Å; N39-T69 VanDerWaalsContact ND2-C 3.31Å; N39-T69 PolarHBondContact ND2-O 3.01Å; N39-E70 VanDerWaalsContact CB-O 3.29Å; N39-E70 WeakPolarHBondContact CB-O 3.35Å; N39-A71 WeakPolarHBondContact OD1-CB 3.47Å
40R93.1Very high77.7Confident54 Ų5448.5 Ų48.520%0.20429%0.293CS..EExtended strand (participates in β ladder)trans-149.5154.2-165.4-60.7-176.863.7101.98.8113.4Y11 A27 G28 P38 D42 L65Y11-R40 HydrophobicContact CD1-CB 4.31Å; Y11-R40 HydrophobicContact CD1-CG 4.41Å; Y11-R40 HydrophobicContact CE1-CB 3.75Å; Y11-R40 HydrophobicContact CE1-CG 4.2Å; Y11-R40 HydrophobicContact CE2-CB 4.37Å; A27-R40 WeakPolarHBondContact CA-O 3.45Å; G28-R40 PolarHBondContact N-O 2.81Å; G28-R40 VanDerWaalsContact N-O 3.11Å; G28-R40 PolarHBondContact O-N 2.88Å; P38-R40 HydrophobicContact CB-CG 4.01Å; R40-D42 IonicContact CZ-OD1 3.11Å; R40-D42 IonicContact NE-OD1 3.59Å; R40-D42 PolarHBondContact NE-OD1 2.93Å; R40-D42 VanDerWaalsContact NE-OD1 3.13Å; R40-D42 IonicContact NE-OD2 2.7Å; R40-D42 IonicContact NH2-OD1 3.13Å; R40-D42 PolarHBondContact NH2-OD1 2.98Å; R40-D42 VanDerWaalsContact NH2-OD1 3.11Å; R40-L65 WeakPolarHBondContact CA-O 3.39Å; R40-L65 WeakPolarHBondContact CB-O 3.16Å
41I94.9Very high76.2Confident0 Ų055.3 Ų55.30%032%0.318CS..EExtended strand (participates in β ladder)trans-114.9117.9162.4-56.8171.3000105.8V25 A27 G64 L65 T67 V72 L75 Y97 L175V25-I41 HydrophobicContact CG1-CG2 3.72Å; A27-I41 HydrophobicContact CB-CB 4.46Å; A27-I41 HydrophobicContact CB-CG1 4Å; I41-G64 CarbonylContact O-C 3.59Å; I41-G64 WeakPolarHBondContact O-CA 3.44Å; I41-L65 HydrophobicContact CD1-CD1 4.43Å; I41-L65 PolarHBondContact N-O 3.03Å; I41-L65 VanDerWaalsContact N-O 3.1Å; I41-L65 PolarHBondContact O-N 2.96Å; I41-T67 HydrophobicContact CD1-CG2 3.96Å; I41-T67 HydrophobicContact CG1-CG2 3.93Å; I41-V72 HydrophobicContact CD1-CG2 4.2Å; I41-V72 HydrophobicContact CG1-CG2 3.95Å; I41-L75 HydrophobicContact CD1-CD1 4.19Å; I41-L75 HydrophobicContact CG1-CD1 4.32Å; I41-L75 HydrophobicContact CG2-CD1 4.11Å; I41-Y97 HydrophobicContact CD1-CD2 4.27Å; I41-Y97 HydrophobicContact CD1-CE2 3.88Å; I41-L175 HydrophobicContact CB-CD2 4.42Å; I41-L175 HydrophobicContact CG2-CD2 3.9Å
42D93.5Very high74.9Confident1 Ų160.3 Ų60.31%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-119145.2178.4-73.2-23.6000109.7F9 Y11 V26 R40 K61F9-D42 HydrophobicContact CE1-CB 4.16Å; Y11-D42 WeakPolarHBondContact OH-CB 3.46Å; Y11-D42 VanDerWaalsContact OH-CG 3.31Å; Y11-D42 PolarHBondContact OH-OD2 3.45Å; Y11-D42 VanDerWaalsContact OH-OD2 3.13Å; V26-D42 HydrophobicContact CG2-CB 4.15Å; V26-D42 WeakPolarHBondContact CG2-O 3.22Å; V26-D42 PolarHBondContact N-O 2.88Å; V26-D42 PolarHBondContact O-N 2.91Å; V26-D42 VanDerWaalsContact O-O 3.14Å; R40-D42 IonicContact CZ-OD1 3.11Å; R40-D42 IonicContact NE-OD1 3.59Å; R40-D42 PolarHBondContact NE-OD1 2.93Å; R40-D42 VanDerWaalsContact NE-OD1 3.13Å; R40-D42 IonicContact NE-OD2 2.7Å; R40-D42 IonicContact NH2-OD1 3.13Å; R40-D42 PolarHBondContact NH2-OD1 2.98Å; R40-D42 VanDerWaalsContact NH2-OD1 3.11Å; D42-K61 HydrophobicContact CB-CD 4.42Å; D42-K61 WeakPolarHBondContact OD1-CE 3.49Å; D42-K61 IonicContact OD1-NZ 3.75Å; D42-K61 PolarHBondContact OD1-NZ 3.38Å; D42-K61 WeakPolarHBondContact OD2-CE 3.45Å; D42-K61 IonicContact OD2-NZ 3.86Å; D42-K61 PolarHBondContact OD2-NZ 3.1Å
43I91.8Very high74.1Confident0 Ų057.2 Ų57.20%032%0.319CS..EExtended strand (participates in β ladder)trans-102.5133.8171.4-61.5174.2000107.9L19 L24 V25 S62 G63 V99 W173 L175L19-I43 HydrophobicContact CD2-CD1 3.85Å; L19-I43 HydrophobicContact CD2-CG1 4.42Å; L19-I43 HydrophobicContact CD2-CG2 4.02Å; L24-I43 WeakPolarHBondContact O-CA 3.46Å; V25-I43 HydrophobicContact CG2-CG1 4.08Å; I43-S62 WeakPolarHBondContact CG2-OG 3.48Å; I43-S62 PolarHBondContact O-N 3.01Å; I43-S62 PolarHBondContact O-OG 2.9Å; I43-S62 VanDerWaalsContact O-OG 3.06Å; I43-G63 PolarHBondContact N-O 2.91Å; I43-V99 HydrophobicContact CD1-CG1 3.45Å; I43-V99 VanDerWaalsContact CD1-CG1 3.45Å; I43-W173 HydrophobicContact CB-CB 4.37Å; I43-W173 HydrophobicContact CD1-CB 3.61Å; I43-W173 HydrophobicContact CD1-CD2 4.46Å; I43-W173 HydrophobicContact CD1-CG 3.99Å; I43-W173 HydrophobicContact CG2-CB 4.32Å; I43-W173 HydrophobicContact CG2-CG 3.94Å; I43-L175 HydrophobicContact CD1-CD1 3.27Å; I43-L175 HydrophobicContact CD1-CG 4.24Å; I43-L175 HydrophobicContact CG1-CD1 3.91Å
44I88.9Confident73.8Confident0 Ų061.1 Ų61.10%032%0.324CS..EExtended strand (participates in β ladder)trans-114.9137.8173.958.4179000110.3L7 F9 S23 L24 V26 V59 Q60 V621L7-I44 HydrophobicContact CD2-CG2 3.76Å; F9-I44 HydrophobicContact CE1-CG2 4.4Å; F9-I44 HydrophobicContact CZ-CG2 3.72Å; S23-I44 CarbonylContact C-O 3.59Å; S23-I44 WeakPolarHBondContact CA-O 3.31Å; L24-I44 HydrophobicContact CB-CD1 3.99Å; L24-I44 HydrophobicContact CB-CG1 3.65Å; L24-I44 HydrophobicContact CD1-CD1 4.12Å; L24-I44 HydrophobicContact CG-CG1 4.41Å; L24-I44 PolarHBondContact N-O 3.41Å; L24-I44 PolarHBondContact O-N 3.31Å; V26-I44 HydrophobicContact CG1-CD1 4.1Å; V26-I44 HydrophobicContact CG2-CG2 4.41Å; I44-V59 HydrophobicContact CB-CG1 4.02Å; I44-V59 HydrophobicContact CD1-CG1 4.01Å; I44-V59 HydrophobicContact CG1-CG1 4.42Å; I44-V59 HydrophobicContact CG2-CG1 4.49Å; I44-Q60 CarbonylContact C-O 3.55Å; I44-Q60 WeakPolarHBondContact CA-O 3.28Å; I44-V621 HydrophobicContact CD1-CG1 4.35Å; I44-V621 HydrophobicContact CD1-CG2 4.34Å
45N85.9Confident73.4Confident4 Ų453.9 Ų53.92%0.02130%0.297CS..EExtended strand (participates in β ladder)trans-98144.7169.6-70.8-16.5000110.6N22 S23 Y47 V59 Q60 S62 L171 W173N22-N45 CarbonylContact O-C 3.6Å; N22-N45 WeakPolarHBondContact O-CA 3.17Å; S23-N45 PolarHBondContact OG-OD1 2.95Å; N45-Y47 HydrophobicContact CB-CE2 3.85Å; N45-Y47 PolarHBondContact ND2-OH 3Å; N45-V59 WeakPolarHBondContact O-CA 3.37Å; N45-Q60 PolarHBondContact N-O 3.48Å; N45-Q60 PolarHBondContact O-N 3.21Å; N45-Q60 VanDerWaalsContact O-N 3.14Å; N45-S62 VanDerWaalsContact CG-CB 3.45Å; N45-S62 WeakPolarHBondContact ND2-CB 3.35Å; N45-S62 PolarHBondContact OD1-OG 2.97Å; N45-L171 PolarHBondContact ND2-O 2.79Å; N45-W173 PolarHBondContact OD1-NE1 3Å
46L79.8Confident72.7Confident5 Ų550.6 Ų50.63%0.02628%0.277CS..EExtended strand (participates in β ladder)trans-109.1107.6-179.1-55.7175.3000107.8N22 L24 P56 V59 L585 W623N22-L46 WeakPolarHBondContact O-CB 3.21Å; N22-L46 PolarHBondContact O-N 3.46Å; L24-L46 HydrophobicContact CD1-CD1 4.06Å; L24-L46 HydrophobicContact CD1-CD2 4.25Å; L24-L46 HydrophobicContact CG-CD1 4.02Å; L24-L46 HydrophobicContact CG-CG 4.48Å; L46-P56 HydrophobicContact CB-CB 4.17Å; L46-P56 HydrophobicContact CD2-CB 4.47Å; L46-P56 HydrophobicContact CD2-CG 4.4Å; L46-V59 HydrophobicContact CD2-CG1 4.23Å; L46-V59 HydrophobicContact CD2-CG2 4.02Å; L46-L585 HydrophobicContact CD1-CD1 4.22Å; L46-W623 HydrophobicContact CD1-CH2 4.24Å; L46-W623 HydrophobicContact CD1-CZ3 3.89Å; L46-W623 HydrophobicContact CD2-CZ3 4.1Å
47Y72.4Confident71.5Confident49 Ų4951.2 Ų51.219%0.19227%0.265CS..EExtended strand (participates in β ladder)trans-96.2117.1175.9-60.6-78.7000109.7N45 P56 V57 D58 Q60 P170N45-Y47 HydrophobicContact CB-CE2 3.85Å; N45-Y47 PolarHBondContact ND2-OH 3Å; Y47-P56 CarbonylContact O-C 3.56Å; Y47-P56 VanDerWaalsContact O-CA 3.27Å; Y47-P56 WeakPolarHBondContact O-CA 3.29Å; Y47-V57 PolarHBondContact O-N 3.24Å; Y47-D58 HydrophobicContact CD2-CB 4.48Å; Y47-D58 PolarHBondContact N-O 3.49Å; Y47-D58 PolarHBondContact O-N 3.31Å; Y47-Q60 HydrophobicContact CD2-CG 4.3Å; Y47-Q60 HydrophobicContact CE2-CB 4Å; Y47-Q60 HydrophobicContact CE2-CG 3.96Å; Y47-P170 VanDerWaalsContact OH-CA 3.27Å; Y47-P170 WeakPolarHBondContact OH-CA 3.31Å; Y47-P170 WeakPolarHBondContact OH-CB 3.49Å
48R64.7Low70.2Confident75 Ų7552.7 Ų52.728%0.28327%0.272SS..  trans-99.2130174.2-64.8177.5177.2112.1-8.1108.5R21 N22 G50 A53 P56R21-R48 PolarHBondContact O-NH1 2.91Å; N22-R48 PolarHBondContact OD1-NH1 2.88Å; R48-G50 PolarHBondContact O-N 2.81Å; R48-G50 VanDerWaalsContact O-N 3.09Å; R48-A53 HydrophobicContact CB-CB 4.19Å; R48-P56 HydrophobicContact CG-CB 4.43Å
49N52Low69.5Low129 Ų12951.5 Ų51.569%0.6926%0.264SS*.SBendtrans-75.998.3179.7-1648.5000110.5A53 V57N49-A53 HydrophobicContact CB-CB 4.24Å; N49-A53 WeakPolarHBondContact O-CB 3.04Å; N49-V57 HydrophobicContact CB-CB 4.19Å; N49-V57 HydrophobicContact CB-CG2 3.49Å; N49-V57 VanDerWaalsContact CB-CG2 3.49Å
50G48.7Very low68.9Low47 Ų4755 Ų5549%0.48528%0.281SS..SBendtrans78.5158.6-169.400000112.5R48 D52 A53R48-G50 PolarHBondContact O-N 2.81Å; R48-G50 VanDerWaalsContact O-N 3.09Å; G50-D52 PolarHBondContact O-N 3.01Å; G50-D52 VanDerWaalsContact O-N 3.07Å; G50-A53 PolarHBondContact O-N 2.83Å
51Q51.9Low68.4Low169 Ų16957.1 Ų57.179%0.7929%0.291SS*.THydrogen-bonded Turntrans-59.2-20177.5-78.3172-16.300112.7
52D47.9Very low67.9Low127 Ų12757.8 Ų57.868%0.67930%0.296SS*.THydrogen-bonded Turntrans-99.7-4.1-176.2-64.6-36.8000115.1G50 R54G50-D52 PolarHBondContact O-N 3.01Å; G50-D52 VanDerWaalsContact O-N 3.07Å; D52-R54 PolarHBondContact O-N 3.16Å; D52-R54 VanDerWaalsContact O-N 3.08Å
53A47Very low67.5Low24 Ų2458.5 Ų58.520%0.19830%0.303CS..  trans-68.5112.7177.200000111.2R48 N49 G50 T55R48-A53 HydrophobicContact CB-CB 4.19Å; N49-A53 HydrophobicContact CB-CB 4.24Å; N49-A53 WeakPolarHBondContact O-CB 3.04Å; G50-A53 PolarHBondContact O-N 2.83Å; A53-T55 PolarHBondContact O-N 3.06Å
54R53Low67.4Low172 Ų17260 Ų6065%0.64932%0.318SS*.SBendtrans-67.2-19.4-176.5-64-178.9-173.4-179.30.5114.7D52D52-R54 PolarHBondContact O-N 3.16Å; D52-R54 VanDerWaalsContact O-N 3.08Å
55T55.7Low67.5Low48 Ų4861.3 Ų61.329%0.29433%0.326SS..SBendtrans-127.1137.1176.649.60000108.3A53 V57A53-T55 PolarHBondContact O-N 3.06Å; T55-V57 PolarHBondContact O-N 2.86Å
56P55.5Low67.7Low8 Ų865.2 Ų65.25%0.05235%0.346CS..  trans-57.2128.6169.227.9-34.9000107.6L46 Y47 R48 V59 W623L46-P56 HydrophobicContact CB-CB 4.17Å; L46-P56 HydrophobicContact CD2-CB 4.47Å; L46-P56 HydrophobicContact CD2-CG 4.4Å; Y47-P56 CarbonylContact O-C 3.56Å; Y47-P56 VanDerWaalsContact O-CA 3.27Å; Y47-P56 WeakPolarHBondContact O-CA 3.29Å; R48-P56 HydrophobicContact CG-CB 4.43Å; P56-V59 HydrophobicContact CB-CG2 4.43Å; P56-V59 HydrophobicContact CG-CG2 4.43Å; P56-W623 VanDerWaalsContact CD-CE2 3.49Å; P56-W623 HydrophobicContact CG-CD2 3.96Å; P56-W623 HydrophobicContact CG-CE3 3.54Å; P56-W623 HydrophobicContact CG-CH2 3.64Å; P56-W623 HydrophobicContact CG-CZ2 4.13Å; P56-W623 HydrophobicContact CG-CZ3 3.39Å
57V54.9Low68.2Low87 Ų8765.6 Ų65.653%0.52735%0.349SS..SBendtrans-79.4-34.3179.9174.60000109.4Y47 N49 T55Y47-V57 PolarHBondContact O-N 3.24Å; N49-V57 HydrophobicContact CB-CB 4.19Å; N49-V57 HydrophobicContact CB-CG2 3.49Å; N49-V57 VanDerWaalsContact CB-CG2 3.49Å; T55-V57 PolarHBondContact O-N 2.86Å
58D62.6Low68.9Low66 Ų6665.1 Ų65.135%0.35336%0.359SS..EExtended strand (participates in β ladder)trans-136.6145.1178-164.115.3000111.3Y47 Q60Y47-D58 HydrophobicContact CD2-CB 4.48Å; Y47-D58 PolarHBondContact N-O 3.49Å; Y47-D58 PolarHBondContact O-N 3.31Å; D58-Q60 WeakPolarHBondContact OD2-CG 3.4Å; D58-Q60 PolarHBondContact OD2-NE2 3.31Å
59V74Confident69.9Low15 Ų1564.8 Ų64.89%0.09137%0.365CS..EExtended strand (participates in β ladder)trans-127.8112.9177.5-176.30000106.8L7 I44 N45 L46 P56L7-V59 HydrophobicContact CB-CB 4.45Å; L7-V59 HydrophobicContact CB-CG1 4.24Å; L7-V59 HydrophobicContact CD2-CG1 3.89Å; I44-V59 HydrophobicContact CB-CG1 4.02Å; I44-V59 HydrophobicContact CD1-CG1 4.01Å; I44-V59 HydrophobicContact CG1-CG1 4.42Å; I44-V59 HydrophobicContact CG2-CG1 4.49Å; N45-V59 WeakPolarHBondContact O-CA 3.37Å; L46-V59 HydrophobicContact CD2-CG1 4.23Å; L46-V59 HydrophobicContact CD2-CG2 4.02Å; P56-V59 HydrophobicContact CB-CG2 4.43Å; P56-V59 HydrophobicContact CG-CG2 4.43Å
60Q78.9Confident71.7Confident75 Ų7562.3 Ų62.335%0.3535%0.349SS..EExtended strand (participates in β ladder)trans-119.3143.6-179.2-56.9-177.6-7.400110.4I44 N45 Y47 D58 S62I44-Q60 CarbonylContact C-O 3.55Å; I44-Q60 WeakPolarHBondContact CA-O 3.28Å; N45-Q60 PolarHBondContact N-O 3.48Å; N45-Q60 PolarHBondContact O-N 3.21Å; N45-Q60 VanDerWaalsContact O-N 3.14Å; Y47-Q60 HydrophobicContact CD2-CG 4.3Å; Y47-Q60 HydrophobicContact CE2-CB 4Å; Y47-Q60 HydrophobicContact CE2-CG 3.96Å; D58-Q60 WeakPolarHBondContact OD2-CG 3.4Å; D58-Q60 PolarHBondContact OD2-NE2 3.31Å; Q60-S62 PolarHBondContact O-N 3.03Å
61K82.3Confident73.7Confident98 Ų9860.8 Ų60.843%0.42633%0.333SS..EExtended strand (participates in β ladder)trans-69.7124.7167.9178.7176.1171.3166.60108.9D42D42-K61 HydrophobicContact CB-CD 4.42Å; D42-K61 WeakPolarHBondContact OD1-CE 3.49Å; D42-K61 IonicContact OD1-NZ 3.75Å; D42-K61 PolarHBondContact OD1-NZ 3.38Å; D42-K61 WeakPolarHBondContact OD2-CE 3.45Å; D42-K61 IonicContact OD2-NZ 3.86Å; D42-K61 PolarHBondContact OD2-NZ 3.1Å
62S83.8Confident75.7Confident15 Ų1552.8 Ų52.811%0.10530%0.295CS..EExtended strand (participates in β ladder)trans-112.2-8.7-175.149.70000113.7I43 N45 Q60 L171 E172 W173I43-S62 WeakPolarHBondContact CG2-OG 3.48Å; I43-S62 PolarHBondContact O-N 3.01Å; I43-S62 PolarHBondContact O-OG 2.9Å; I43-S62 VanDerWaalsContact O-OG 3.06Å; N45-S62 VanDerWaalsContact CG-CB 3.45Å; N45-S62 WeakPolarHBondContact ND2-CB 3.35Å; N45-S62 PolarHBondContact OD1-OG 2.97Å; Q60-S62 PolarHBondContact O-N 3.03Å; S62-L171 WeakPolarHBondContact CB-O 3.4Å; S62-E172 WeakPolarHBondContact O-CA 3.36Å; S62-E172 WeakPolarHBondContact O-CG 3.08Å; S62-W173 PolarHBondContact O-N 3.12Å
63G85.9Confident77.9Confident15 Ų1552.7 Ų52.716%0.15529%0.292CS..EExtended strand (participates in β ladder)trans175.2179.4-179.200000111.3I43 W173I43-G63 PolarHBondContact N-O 2.91Å; G63-W173 WeakPolarHBondContact CA-O 3.45Å
64G88.8Confident80.1Confident31 Ų3152.6 Ų52.632%0.3229%0.29SS..EExtended strand (participates in β ladder)trans151.2171.8175.800000112.9I41I41-G64 CarbonylContact O-C 3.59Å; I41-G64 WeakPolarHBondContact O-CA 3.44Å
65L92Very high82.2Confident29 Ų2945 Ų4515%0.15226%0.262CS..EExtended strand (participates in β ladder)trans-138.5161178.765.381.4000111.3R40 I41 T67 Y97 L175R40-L65 WeakPolarHBondContact CA-O 3.39Å; R40-L65 WeakPolarHBondContact CB-O 3.16Å; I41-L65 HydrophobicContact CD1-CD1 4.43Å; I41-L65 PolarHBondContact N-O 3.03Å; I41-L65 VanDerWaalsContact N-O 3.1Å; I41-L65 PolarHBondContact O-N 2.96Å; L65-T67 HydrophobicContact CD1-CG2 3.59Å; L65-Y97 HydrophobicContact CD1-CE1 4.31Å; L65-Y97 HydrophobicContact CD2-CD1 3.47Å; L65-Y97 VanDerWaalsContact CD2-CD1 3.47Å; L65-Y97 HydrophobicContact CD2-CE1 3.23Å; L65-Y97 HydrophobicContact CD2-CE2 4.46Å; L65-Y97 HydrophobicContact CD2-CG 4.2Å; L65-Y97 HydrophobicContact CG-CE1 4.44Å; L65-L175 HydrophobicContact CD2-CB 3.63Å; L65-L175 HydrophobicContact CD2-CD2 3.83Å; L65-L175 HydrophobicContact CD2-CG 4.38Å; L65-L175 HydrophobicContact CG-CD2 4.19Å
66D90.2Very high84Confident85 Ų8543.2 Ų43.246%0.45525%0.251SS..EExtended strand (participates in β ladder)trans-93.1129.8171.3-159-56.4000109.2N39 G68N39-D66 VanDerWaalsContact O-OD1 3.11Å; D66-G68 VanDerWaalsContact C-N 3.27Å; D66-G68 WeakPolarHBondContact OD1-CA 3.47Å; D66-G68 PolarHBondContact OD1-N 3.41Å
67T90Very high85.7Confident14 Ų1442.9 Ų42.99%0.08625%0.249CC..  trans-91.47.8178.256.70000112N39 I41 L65 T69 E70 V72 E90N39-T67 VanDerWaalsContact C-OG1 3.29Å; N39-T67 VanDerWaalsContact CB-OG1 3.31Å; N39-T67 WeakPolarHBondContact CB-OG1 3.21Å; N39-T67 PolarHBondContact O-N 3.49Å; N39-T67 PolarHBondContact O-OG1 3.16Å; I41-T67 HydrophobicContact CD1-CG2 3.96Å; I41-T67 HydrophobicContact CG1-CG2 3.93Å; L65-T67 HydrophobicContact CD1-CG2 3.59Å; T67-T69 PolarHBondContact O-N 3.26Å; T67-E70 PolarHBondContact OG1-O 3.35Å; T67-V72 HydrophobicContact CG2-CG2 3.75Å; T67-E90 HydrophobicContact CG2-CG 4.28Å; T67-E90 WeakPolarHBondContact CG2-OE1 3.24Å
68G86.8Confident86.9Confident38 Ų3838.8 Ų38.839%0.39222%0.224SC..THydrogen-bonded Turntrans70.2-113.8176.700000111.7N39 D66N39-G68 PolarHBondContact ND2-O 3.43Å; D66-G68 VanDerWaalsContact C-N 3.27Å; D66-G68 WeakPolarHBondContact OD1-CA 3.47Å; D66-G68 PolarHBondContact OD1-N 3.41Å
69T86.2Confident87.4Confident68 Ų6838.8 Ų38.842%0.41722%0.224SC..THydrogen-bonded Turntrans-85.1-17.3-169.268.30000114.5V33 N39 T67V33-T69 HydrophobicContact CG2-CG2 3.06Å; N39-T69 VanDerWaalsContact ND2-C 3.31Å; N39-T69 PolarHBondContact ND2-O 3.01Å; T67-T69 PolarHBondContact O-N 3.26Å
70E89.5Confident86.7Confident77 Ų7740.8 Ų40.836%0.3624%0.238SC..  trans-109.3123.1-168.6-56.1-51133.900111N39 T67 E90 G91N39-E70 VanDerWaalsContact CB-O 3.29Å; N39-E70 WeakPolarHBondContact CB-O 3.35Å; T67-E70 PolarHBondContact OG1-O 3.35Å; E70-E90 HydrophobicContact CB-CB 4.09Å; E70-G91 WeakPolarHBondContact OE2-CA 3.32Å
71A90.8Very high85.9Confident16 Ų1638.5 Ų38.513%0.13223%0.234CC..  trans-74141.1172.100000110.8Y14 N39Y14-A71 HydrophobicContact CE2-CB 4.49Å; N39-A71 WeakPolarHBondContact OD1-CB 3.47Å
72V94Very high84.6Confident0 Ų041 Ų410%025%0.252CS..  trans-92.8108.6178.8-178.50000109.7A27 I41 T67 L75 E90A27-V72 HydrophobicContact CB-CB 3.87Å; A27-V72 HydrophobicContact CB-CG1 3.7Å; I41-V72 HydrophobicContact CD1-CG2 4.2Å; I41-V72 HydrophobicContact CG1-CG2 3.95Å; T67-V72 HydrophobicContact CG2-CG2 3.75Å; V72-L75 HydrophobicContact CG1-CB 4.04Å; V72-L75 HydrophobicContact CG1-CD1 4.24Å; V72-E90 HydrophobicContact CG2-CG 4.02Å
73M93.3Very high83.6Confident125 Ų12542.1 Ų42.162%0.61627%0.266SS*.  trans-107.4-12.7179-65-173.2177.800113.7Y14 V15Y14-M73 HydrophobicContact CD2-CE 4.35Å; Y14-M73 HydrophobicContact CD2-CG 3.78Å; Y14-M73 HydrophobicContact CE2-CE 3.87Å; Y14-M73 HydrophobicContact CE2-CG 4.24Å; Y14-M73 HydrophobicContact CG-CG 4.2Å; V15-M73 VanDerWaalsContact CG2-C 3.46Å; V15-M73 VanDerWaalsContact CG2-O 3.31Å; V15-M73 WeakPolarHBondContact CG2-O 3.46Å
74S95Very high83.1Confident23 Ų2341.4 Ų41.416%0.16126%0.259CS..  trans-140.3127.8175.6-169.40000108.7L89 V214S74-L89 PolarHBondContact O-N 3.07Å; S74-V214 PolarHBondContact OG-N 3.43Å
75L95.9Very high83Confident13 Ų1341.4 Ų41.47%0.06825%0.25CC..EExtended strand (participates in β ladder)trans-150147.7-178.6174155.4000108.3V15 D17 V25 A27 I41 V72 V77 I86 A87V15-L75 HydrophobicContact CB-CB 4.31Å; V15-L75 HydrophobicContact CG1-CB 3.91Å; V15-L75 HydrophobicContact CG1-CD2 4.37Å; V15-L75 HydrophobicContact CG2-CB 4.4Å; D17-L75 HydrophobicContact CB-CD2 4.32Å; V25-L75 HydrophobicContact CG1-CD1 3.86Å; V25-L75 HydrophobicContact CG1-CD2 3.92Å; A27-L75 HydrophobicContact CB-CD1 3.91Å; I41-L75 HydrophobicContact CD1-CD1 4.19Å; I41-L75 HydrophobicContact CG1-CD1 4.32Å; I41-L75 HydrophobicContact CG2-CD1 4.11Å; V72-L75 HydrophobicContact CG1-CB 4.04Å; V72-L75 HydrophobicContact CG1-CD1 4.24Å; L75-V77 HydrophobicContact CD2-CG2 4.23Å; L75-I86 HydrophobicContact CD1-CG2 3.45Å; L75-I86 VanDerWaalsContact CD1-CG2 3.45Å; L75-I86 HydrophobicContact CD2-CG2 4.06Å; L75-I86 HydrophobicContact CG-CG2 3.66Å; L75-A87 CarbonylContact C-O 3.54Å; L75-A87 VanDerWaalsContact CA-O 3.24Å; L75-A87 WeakPolarHBondContact CA-O 2.94Å
76T93.6Very high83Confident9 Ų940 Ų406%0.05524%0.243CC..EExtended strand (participates in β ladder)trans-137.9138.8170.7-169.20000110.2V78 A87 V214 H216 L224T76-V78 HydrophobicContact CG2-CG2 4.23Å; T76-A87 HydrophobicContact CG2-CB 4.13Å; T76-A87 PolarHBondContact N-O 2.92Å; T76-A87 PolarHBondContact O-N 2.64Å; T76-V214 HydrophobicContact CG2-CG1 4.26Å; T76-V214 HydrophobicContact CG2-CG2 4.08Å; T76-H216 HydrophobicContact CG2-CB 4.34Å; T76-H216 PolarHBondContact OG1-ND1 3.22Å; T76-L224 HydrophobicContact CG2-CD1 4.14Å
77V90.3Very high83.1Confident2 Ų236 Ų361%0.01222%0.221CC..EExtended strand (participates in β ladder)trans-91.5130.7170.3179.10000108.7D17 V18 L19 V25 L75 P80 I86 H216D17-V77 HydrophobicContact CB-CB 4.45Å; D17-V77 HydrophobicContact CB-CG2 3.81Å; D17-V77 PolarHBondContact OD2-N 3.1Å; V18-V77 WeakPolarHBondContact O-CG1 3.38Å; L19-V77 HydrophobicContact CD1-CG1 4.06Å; V25-V77 HydrophobicContact CB-CG2 4.24Å; V25-V77 HydrophobicContact CG2-CG2 4.06Å; L75-V77 HydrophobicContact CD2-CG2 4.23Å; V77-P80 HydrophobicContact CG1-CB 4.32Å; V77-I86 HydrophobicContact CG2-CG1 4.27Å; V77-H216 PolarHBondContact O-CE1 2.85Å; V77-H216 PolarHBondContact O-ND1 3.09Å; V77-H216 VanDerWaalsContact O-ND1 3.14Å
78V81.8Confident83.4Confident0 Ų035.3 Ų35.30%022%0.217CC..EExtended strand (participates in β ladder)trans-116134.3179-155.90000110.5T76 F85 H216 G221T76-V78 HydrophobicContact CG2-CG2 4.23Å; V78-F85 HydrophobicContact CB-CB 4.44Å; V78-F85 PolarHBondContact N-O 3.37Å; V78-F85 PolarHBondContact O-N 3.36Å; V78-H216 HydrophobicContact CB-CB 4.23Å; V78-H216 HydrophobicContact CG1-CB 3.7Å; V78-H216 HydrophobicContact CG2-CB 3.59Å; V78-G221 WeakPolarHBondContact CG1-O 3.26Å
79N72.6Confident83.8Confident67 Ų6734 Ų3436%0.35820%0.201SC..SBendtrans53.162.5-174.1-61.1-25.2000112.6G81N79-G81 PolarHBondContact O-N 3.04Å
80P58.4Low84Confident57 Ų5731.7 Ų31.737%0.3719%0.185SC..  trans-57.9135.6175.625.4-34.1000111.3L19 V77L19-P80 CarbonylContact O-C 3.59Å; L19-P80 WeakPolarHBondContact O-CA 3.39Å; L19-P80 WeakPolarHBondContact O-CB 3.42Å; V77-P80 HydrophobicContact CG1-CB 4.32Å
81G63Low83.9Confident26 Ų2629 Ų2927%0.26818%0.179SC..SBendtrans154.8-155.7-173.300000113.4L19 N79 G83L19-G81 PolarHBondContact O-N 3.43Å; N79-G81 PolarHBondContact O-N 3.04Å; G81-G83 PolarHBondContact O-N 3.4Å
82D55.7Low83.8Confident150 Ų15034.2 Ų34.280%0.80220%0.2SC*.SBendtrans-66.13-177.2-72.6-21.2000114.8
83G62Low83.6Confident40 Ų4038 Ų3841%0.41222%0.217SC..SBendtrans-175.699.8176.600000109.1G81G81-G83 PolarHBondContact O-N 3.4Å
84G75.1Confident83.6Confident0 Ų032.1 Ų32.10%019%0.188CC..EExtended strand (participates in β ladder)trans-102158.3-178.900000112V99G84-V99 WeakPolarHBondContact O-CB 3.41Å; G84-V99 PolarHBondContact O-N 3.23Å
85F86.9Confident83.5Confident30 Ų3031.1 Ų31.113%0.13218%0.181CC..EExtended strand (participates in β ladder)trans-103.7138.1165-66.6-86.9000109.2V78 E96 Y97 I98V78-F85 HydrophobicContact CB-CB 4.44Å; V78-F85 PolarHBondContact N-O 3.37Å; V78-F85 PolarHBondContact O-N 3.36Å; F85-E96 HydrophobicContact CB-CG 4.4Å; F85-E96 HydrophobicContact CD1-CG 4.27Å; F85-Y97 CarbonylContact C-O 3.59Å; F85-Y97 VanDerWaalsContact CA-O 3.3Å; F85-Y97 WeakPolarHBondContact CA-O 3.41Å; F85-I98 HydrophobicContact CD1-CB 4.3Å; F85-I98 HydrophobicContact CD1-CG1 4.45Å; F85-I98 HydrophobicContact CE1-CB 4.15Å; F85-I98 HydrophobicContact CE1-CD1 4.08Å; F85-I98 HydrophobicContact CE1-CG1 4.1Å; F85-I98 HydrophobicContact CZ-CD1 4.25Å
86I91.8Very high83.2Confident0 Ų030.5 Ų30.50%018%0.177CC..EExtended strand (participates in β ladder)trans-110.1125171.8-65.5169.7000107.3V25 L75 V77 E96 Y97 V99 L175V25-I86 HydrophobicContact CB-CD1 4.37Å; V25-I86 HydrophobicContact CG1-CD1 3.97Å; V25-I86 HydrophobicContact CG2-CD1 3.46Å; V25-I86 VanDerWaalsContact CG2-CD1 3.46Å; V25-I86 HydrophobicContact CG2-CG1 4.14Å; L75-I86 HydrophobicContact CD1-CG2 3.45Å; L75-I86 VanDerWaalsContact CD1-CG2 3.45Å; L75-I86 HydrophobicContact CD2-CG2 4.06Å; L75-I86 HydrophobicContact CG-CG2 3.66Å; V77-I86 HydrophobicContact CG2-CG1 4.27Å; I86-E96 CarbonylContact O-C 3.58Å; I86-E96 WeakPolarHBondContact O-CA 3.21Å; I86-Y97 PolarHBondContact N-O 3.46Å; I86-Y97 PolarHBondContact O-N 2.9Å; I86-V99 HydrophobicContact CB-CG2 4.42Å; I86-V99 HydrophobicContact CD1-CG2 3.26Å; I86-V99 HydrophobicContact CG1-CG2 3.52Å; I86-L175 HydrophobicContact CD1-CD2 3.95Å; I86-L175 HydrophobicContact CD1-CG 4.45Å
87A93.4Very high83.1Confident0 Ų030.6 Ų30.60%018%0.177CC..EExtended strand (participates in β ladder)trans-107121.8168.100000109.4L75 T76 V95 V214 L224L75-A87 CarbonylContact C-O 3.54Å; L75-A87 VanDerWaalsContact CA-O 3.24Å; L75-A87 WeakPolarHBondContact CA-O 2.94Å; T76-A87 HydrophobicContact CG2-CB 4.13Å; T76-A87 PolarHBondContact N-O 2.92Å; T76-A87 PolarHBondContact O-N 2.64Å; A87-V95 CarbonylContact C-O 3.18Å; A87-V95 WeakPolarHBondContact CA-O 3.04Å; A87-V214 HydrophobicContact CB-CG2 4.22Å; A87-L224 HydrophobicContact CB-CD1 3.54Å; A87-L224 HydrophobicContact CB-CD2 4.06Å; A87-L224 HydrophobicContact CB-CG 4.46Å
88S95.2Very high83.1Confident0 Ų032.4 Ų32.40%019%0.186CC..EExtended strand (participates in β ladder)trans-113.1153.7177.159.20000110.7E90 C94 V95 Y97S88-E90 PolarHBondContact OG-OE1 3.49Å; S88-C94 CarbonylContact O-C 3.54Å; S88-C94 VanDerWaalsContact O-CA 3.28Å; S88-C94 WeakPolarHBondContact O-CA 3.4Å; S88-C94 PolarHBondContact O-SG 3.15Å; S88-C94 VanDerWaalsContact O-SG 3.42Å; S88-V95 PolarHBondContact N-O 2.68Å; S88-V95 PolarHBondContact O-N 3.24Å; S88-V95 PolarHBondContact OG-O 3.05Å; S88-Y97 WeakPolarHBondContact OG-CE2 3.44Å
89L94.7Very high83.3Confident11 Ų1132.4 Ų32.46%0.05819%0.186CC..EExtended strand (participates in β ladder)trans-100.8122.5164.6-61.4-169.6000110S74 C94 P211 V214 I226S74-L89 PolarHBondContact O-N 3.07Å; L89-C94 HydrophobicContact CD2-CB 3.59Å; L89-P211 HydrophobicContact CD1-CB 3.96Å; L89-P211 HydrophobicContact CD2-CB 3.81Å; L89-P211 HydrophobicContact CD2-CG 4.32Å; L89-P211 HydrophobicContact CG-CB 4.44Å; L89-V214 HydrophobicContact CD1-CB 4.32Å; L89-V214 HydrophobicContact CD2-CB 4.02Å; L89-V214 HydrophobicContact CD2-CG1 4.32Å; L89-V214 HydrophobicContact CG-CB 4.03Å; L89-V214 HydrophobicContact CG-CG1 3.95Å; L89-I226 HydrophobicContact CD2-CG2 4.44Å
90E91.6Very high83.8Confident19 Ų1934.1 Ų34.19%0.08919%0.192CC..EExtended strand (participates in β ladder)trans-130.591.6-175.3-72.5169.3-14600109T67 E70 V72 S88 Q92 K93 V95 Y97T67-E90 HydrophobicContact CG2-CG 4.28Å; T67-E90 WeakPolarHBondContact CG2-OE1 3.24Å; E70-E90 HydrophobicContact CB-CB 4.09Å; V72-E90 HydrophobicContact CG2-CG 4.02Å; S88-E90 PolarHBondContact OG-OE1 3.49Å; E90-Q92 PolarHBondContact O-N 3.41Å; E90-K93 PolarHBondContact N-O 3.39Å; E90-K93 PolarHBondContact O-N 2.98Å; E90-V95 HydrophobicContact CB-CG2 4.41Å; E90-Y97 WeakPolarHBondContact OE1-CE2 3.33Å; E90-Y97 PolarHBondContact OE1-OH 2.87Å; E90-Y97 PolarHBondContact OE2-OH 2.97Å
91G86.8Confident84.8Confident21 Ų2133 Ų3322%0.21619%0.185CC..THydrogen-bonded Turntrans61.5-118.1-175.600000111.3E70 K93 M210 P211E70-G91 WeakPolarHBondContact OE2-CA 3.32Å; G91-K93 VanDerWaalsContact C-N 3.26Å; G91-K93 PolarHBondContact O-N 2.98Å; G91-M210 VanDerWaalsContact C-CE 3.41Å; G91-M210 WeakPolarHBondContact O-CE 3.33Å; G91-P211 WeakPolarHBondContact O-CG 2.99Å
92Q87.8Confident85.2Confident125 Ų12535.7 Ų35.758%0.58419%0.19SC*.THydrogen-bonded Turntrans-86.66.6-177.2-33.5-153.413.900113.8E90 M210E90-Q92 PolarHBondContact O-N 3.41Å; Q92-M210 VanDerWaalsContact CA-SD 3.55Å; Q92-M210 HydrophobicContact CB-CE 4.05Å; Q92-M210 HydrophobicContact CB-SD 3.41Å; Q92-M210 WeakPolarHBondContact CB-SD 3.33Å; Q92-M210 HydrophobicContact CG-CE 3.75Å; Q92-M210 HydrophobicContact CG-SD 3.24Å; Q92-M210 WeakPolarHBondContact CG-SD 3.46Å
93K90.3Very high85.5Confident80 Ų8033.3 Ų33.335%0.34818%0.18SC..EExtended strand (participates in β ladder)trans-128.4145.4-166.6-58.2171.5173.7-159.90110.4E90 G91 V95 E180 Y181E90-K93 PolarHBondContact N-O 3.39Å; E90-K93 PolarHBondContact O-N 2.98Å; G91-K93 VanDerWaalsContact C-N 3.26Å; G91-K93 PolarHBondContact O-N 2.98Å; K93-V95 HydrophobicContact CB-CG2 4.45Å; K93-E180 HydrophobicContact CB-CG 4.32Å; K93-E180 HydrophobicContact CD-CG 4.09Å; K93-E180 WeakPolarHBondContact CD-OE1 3.49Å; K93-E180 VanDerWaalsContact CE-OE1 3.28Å; K93-E180 WeakPolarHBondContact CE-OE1 3.47Å; K93-E180 HydrophobicContact CG-CG 4.44Å; K93-E180 IonicContact NZ-OE1 2.84Å; K93-E180 PolarHBondContact NZ-OE1 3.07Å; K93-E180 IonicContact NZ-OE2 3.71Å; K93-Y181 WeakPolarHBondContact CA-O 3.29Å
94C92.9Very high84.5Confident2 Ų237.5 Ų37.51%0.01419%0.193CC..EExtended strand (participates in β ladder)trans-101123.2161.9-179.70000108.2S88 L89 Y181 I226S88-C94 CarbonylContact O-C 3.54Å; S88-C94 VanDerWaalsContact O-CA 3.28Å; S88-C94 WeakPolarHBondContact O-CA 3.4Å; S88-C94 PolarHBondContact O-SG 3.15Å; S88-C94 VanDerWaalsContact O-SG 3.42Å; L89-C94 HydrophobicContact CD2-CB 3.59Å; C94-Y181 HydrophobicContact CB-CD2 4.29Å; C94-Y181 PolarHBondContact N-O 3.46Å; C94-Y181 WeakPolarHBondContact O-CD2 3.47Å; C94-Y181 PolarHBondContact O-N 3Å; C94-I226 HydrophobicContact CB-CD1 3.58Å; C94-I226 HydrophobicContact CB-CG1 4.39Å
95V92.8Very high82.8Confident1 Ų145 Ų451%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-110.3134.9-179.4-174.60000108.9A87 S88 E90 K93 Y97 K177A87-V95 CarbonylContact C-O 3.18Å; A87-V95 WeakPolarHBondContact CA-O 3.04Å; S88-V95 PolarHBondContact N-O 2.68Å; S88-V95 PolarHBondContact O-N 3.24Å; S88-V95 PolarHBondContact OG-O 3.05Å; E90-V95 HydrophobicContact CB-CG2 4.41Å; K93-V95 HydrophobicContact CB-CG2 4.45Å; V95-Y97 HydrophobicContact CB-CE2 3.86Å; V95-Y97 HydrophobicContact CG1-CD2 4.16Å; V95-Y97 HydrophobicContact CG1-CE1 3.96Å; V95-Y97 HydrophobicContact CG1-CE2 3.48Å; V95-Y97 VanDerWaalsContact CG1-CE2 3.48Å; V95-Y97 WeakPolarHBondContact CG1-OH 3.3Å; V95-K177 HydrophobicContact CG1-CD 3.68Å; V95-K177 HydrophobicContact CG1-CG 3.73Å
96E91.4Very high80.2Confident0 Ų049.8 Ų49.80%026%0.264CS..EExtended strand (participates in β ladder)trans-112.4126.4176.3-168.3177.1-163.200110.6F85 I86 V178 R179 Y181 R238F85-E96 HydrophobicContact CB-CG 4.4Å; F85-E96 HydrophobicContact CD1-CG 4.27Å; I86-E96 CarbonylContact O-C 3.58Å; I86-E96 WeakPolarHBondContact O-CA 3.21Å; E96-V178 PolarHBondContact O-N 2.86Å; E96-R179 HydrophobicContact CB-CB 4.19Å; E96-R179 VanDerWaalsContact CD-NH2 3.25Å; E96-R179 PolarHBondContact N-O 3.14Å; E96-R179 PolarHBondContact O-N 3.27Å; E96-R179 IonicContact OE1-NH2 3.52Å; E96-R179 PolarHBondContact OE1-NH2 3.34Å; E96-R179 VanDerWaalsContact OE1-NH2 3.11Å; E96-R179 IonicContact OE2-CZ 3.62Å; E96-R179 IonicContact OE2-NE 3.73Å; E96-R179 PolarHBondContact OE2-NE 3.35Å; E96-R179 IonicContact OE2-NH2 2.84Å; E96-R179 PolarHBondContact OE2-NH2 2.66Å; E96-Y181 HydrophobicContact CB-CE2 4.27Å; E96-Y181 PolarHBondContact OE2-OH 2.85Å; E96-R238 WeakPolarHBondContact OE1-CD 3.19Å; E96-R238 IonicContact OE1-CZ 2.78Å; E96-R238 IonicContact OE1-NE 3.15Å; E96-R238 IonicContact OE1-NH1 2.83Å; E96-R238 PolarHBondContact OE1-NH1 3.35Å
97Y91.4Very high77Confident12 Ų1253.7 Ų53.75%0.04730%0.297CS..EExtended strand (participates in β ladder)trans-110.6140.6177.8-58.5-85.3000109.9I41 L65 F85 I86 S88 E90 V95 T176 K177I41-Y97 HydrophobicContact CD1-CD2 4.27Å; I41-Y97 HydrophobicContact CD1-CE2 3.88Å; L65-Y97 HydrophobicContact CD1-CE1 4.31Å; L65-Y97 HydrophobicContact CD2-CD1 3.47Å; L65-Y97 VanDerWaalsContact CD2-CD1 3.47Å; L65-Y97 HydrophobicContact CD2-CE1 3.23Å; L65-Y97 HydrophobicContact CD2-CE2 4.46Å; L65-Y97 HydrophobicContact CD2-CG 4.2Å; L65-Y97 HydrophobicContact CG-CE1 4.44Å; F85-Y97 CarbonylContact C-O 3.59Å; F85-Y97 VanDerWaalsContact CA-O 3.3Å; F85-Y97 WeakPolarHBondContact CA-O 3.41Å; I86-Y97 PolarHBondContact N-O 3.46Å; I86-Y97 PolarHBondContact O-N 2.9Å; S88-Y97 WeakPolarHBondContact OG-CE2 3.44Å; E90-Y97 WeakPolarHBondContact OE1-CE2 3.33Å; E90-Y97 PolarHBondContact OE1-OH 2.87Å; E90-Y97 PolarHBondContact OE2-OH 2.97Å; V95-Y97 HydrophobicContact CB-CE2 3.86Å; V95-Y97 HydrophobicContact CG1-CD2 4.16Å; V95-Y97 HydrophobicContact CG1-CE1 3.96Å; V95-Y97 HydrophobicContact CG1-CE2 3.48Å; V95-Y97 VanDerWaalsContact CG1-CE2 3.48Å; V95-Y97 WeakPolarHBondContact CG1-OH 3.3Å; Y97-T176 CarbonylContact C-O 3.42Å; Y97-T176 VanDerWaalsContact CA-O 3.25Å; Y97-T176 WeakPolarHBondContact CA-O 2.99Å; Y97-K177 HydrophobicContact CD1-CB 3.9Å; Y97-K177 HydrophobicContact CE1-CB 3.72Å; Y97-K177 HydrophobicContact CE1-CD 4.44Å; Y97-K177 HydrophobicContact CE1-CG 4.19Å
98I88.8Confident73.6Confident40 Ų4058.3 Ų58.321%0.20533%0.329CS..EExtended strand (participates in β ladder)trans-91.4136.8163.6-168.5165.3000108.5F85 Q100 L175 T176 V178F85-I98 HydrophobicContact CD1-CB 4.3Å; F85-I98 HydrophobicContact CD1-CG1 4.45Å; F85-I98 HydrophobicContact CE1-CB 4.15Å; F85-I98 HydrophobicContact CE1-CD1 4.08Å; F85-I98 HydrophobicContact CE1-CG1 4.1Å; F85-I98 HydrophobicContact CZ-CD1 4.25Å; I98-Q100 HydrophobicContact CD1-CG 4.5Å; I98-Q100 HydrophobicContact CG1-CG 4.17Å; I98-L175 WeakPolarHBondContact O-CA 3.13Å; I98-T176 PolarHBondContact N-O 3.43Å; I98-T176 PolarHBondContact O-N 3.01Å; I98-V178 HydrophobicContact CB-CG2 3.63Å; I98-V178 HydrophobicContact CG2-CG2 3.41Å; I98-V178 VanDerWaalsContact CG2-CG2 3.41Å
99V87Confident70.3Confident0 Ų064.5 Ų64.50%037%0.369CS..EExtended strand (participates in β ladder)trans-109120.4179.4-171.50000108.4L19 I43 G84 I86 W173 E174 L175L19-V99 HydrophobicContact CD1-CB 4.14Å; L19-V99 HydrophobicContact CD1-CG1 4.08Å; L19-V99 HydrophobicContact CD1-CG2 4.1Å; L19-V99 HydrophobicContact CD2-CG1 3.64Å; L19-V99 HydrophobicContact CG-CG1 4.47Å; I43-V99 HydrophobicContact CD1-CG1 3.45Å; I43-V99 VanDerWaalsContact CD1-CG1 3.45Å; G84-V99 WeakPolarHBondContact O-CB 3.41Å; G84-V99 PolarHBondContact O-N 3.23Å; I86-V99 HydrophobicContact CB-CG2 4.42Å; I86-V99 HydrophobicContact CD1-CG2 3.26Å; I86-V99 HydrophobicContact CG1-CG2 3.52Å; V99-W173 HydrophobicContact CG1-CD2 4.18Å; V99-W173 HydrophobicContact CG1-CE3 3.46Å; V99-W173 VanDerWaalsContact CG1-CE3 3.46Å; V99-W173 HydrophobicContact CG1-CZ3 3.9Å; V99-E174 WeakPolarHBondContact CA-O 3.44Å; V99-L175 HydrophobicContact CG2-CG 4.34Å
100Q83.8Confident67.1Low102 Ų10268.4 Ų68.448%0.47740%0.403SS..EExtended strand (participates in β ladder)trans-125.7135.4-178.8-63.7-177.5-4.200110I98 W173 E174I98-Q100 HydrophobicContact CD1-CG 4.5Å; I98-Q100 HydrophobicContact CG1-CG 4.17Å; Q100-W173 VanDerWaalsContact C-CE3 3.48Å; Q100-E174 PolarHBondContact N-O 3.3Å; Q100-E174 PolarHBondContact O-N 3.18Å
101S78.6Confident63.9Low34 Ų3476.9 Ų76.924%0.23844%0.439CS..EExtended strand (participates in β ladder)trans-81.9127.7173.3178.90000109.2V103 L171S101-V103 PolarHBondContact O-N 3.01Å; S101-L171 VanDerWaalsContact OG-CD1 3.3Å; S101-L171 WeakPolarHBondContact OG-CD1 3.47Å; S101-L171 VanDerWaalsContact OG-CG 3.26Å; S101-L171 WeakPolarHBondContact OG-CG 3.49Å
102K71.8Confident60.7Low83 Ų8383.2 Ų83.236%0.36147%0.467SS..EExtended strand (participates in β ladder)trans-76.580.4166.9-65.6-178.2-174.4168.30108.1N104 E172 E174K102-N104 VanDerWaalsContact C-N 3.26Å; K102-N104 PolarHBondContact O-N 3.36Å; K102-E172 HydrophobicContact CB-CB 4.39Å; K102-E172 HydrophobicContact CD-CB 4.47Å; K102-E172 HydrophobicContact CD-CG 4.38Å; K102-E172 PolarHBondContact N-O 3.39Å; K102-E172 IonicContact NZ-OE1 2.81Å; K102-E172 PolarHBondContact NZ-OE1 3.24Å; K102-E174 WeakPolarHBondContact CE-OE2 3.09Å; K102-E174 IonicContact NZ-OE2 3.6Å
103V60.8Low57.8Low99 Ų9985 Ų8560%0.648%0.48SS*.  trans-71.495.5163.5-175.80000105.8S101 L105S101-V103 PolarHBondContact O-N 3.01Å; V103-L105 PolarHBondContact O-N 3.12Å
104N42.4Very low54.4Low128 Ų12888 Ų8868%0.68450%0.5SS*.  trans-59.894.4160.6-79.2-31000105.5K102 V106K102-N104 VanDerWaalsContact C-N 3.26Å; K102-N104 PolarHBondContact O-N 3.36Å; N104-V106 PolarHBondContact O-N 3.35Å
105L38.7Very low51.3Low158 Ų15893.6 Ų93.683%0.82753%0.534SS*.  trans-54.599.9163.8-81.8163.8000104.5V103 A107V103-L105 PolarHBondContact O-N 3.12Å; L105-A107 PolarHBondContact O-N 3.47Å
106V31.4Very low48.1Very low130 Ų130102.3 Ų102.379%0.78858%0.575SS**  trans-48.8112.8172.6172.10000105N104 S108N104-V106 PolarHBondContact O-N 3.35Å; V106-S108 PolarHBondContact O-N 2.95Å
107A25.3Very low44.6Very low83 Ų83111.6 Ų111.669%0.68662%0.615SS**  trans-44.7117-17800000108.4L105L105-A107 PolarHBondContact O-N 3.47Å
108S23.1Very low41.4Very low97 Ų97117 Ų11768%0.67865%0.652SS**  trans-49.9134.215753.50000107.1V106 A110V106-S108 PolarHBondContact O-N 2.95Å; S108-A110 VanDerWaalsContact C-N 3.34Å; S108-A110 PolarHBondContact O-N 3.16Å
109P25.8Very low38.1Very low129 Ų129119.4 Ų119.484%0.83868%0.677SS**  trans-68.991.5-167.128-34000110K111P109-K111 PolarHBondContact O-N 3.42Å
110A27.1Very low35.1Very low94 Ų94124.6 Ų124.678%0.77771%0.714SS**  trans-79.398.3170.300000107.8S108S108-A110 VanDerWaalsContact C-N 3.34Å; S108-A110 PolarHBondContact O-N 3.16Å
111K23.4Very low32.4Very low196 Ų196125.6 Ų125.685%0.85273%0.727SS**  trans14.5109.7151.6-74.7173.7173.8176.30116.5P109 L113P109-K111 PolarHBondContact O-N 3.42Å; K111-L113 PolarHBondContact O-N 2.84Å
112L19.8Very low29.8Very low154 Ų154130.1 Ų130.181%0.80675%0.753SS**  18.399.2128.6-99.6145.4000115.6
113L26.5Very low27.4Very low164 Ų164133 Ų13386%0.85977%0.773SS**  trans-142.5101.2144.4-119.6134.2000108.4K111 V115K111-L113 PolarHBondContact O-N 2.84Å; L113-V115 PolarHBondContact O-N 2.89Å
114N20.3Very low25.8Very low141 Ų141134.6 Ų134.675%0.75478%0.782SS**  trans-57.5123.1165.2-79.2-31.5000109.3
115V27.8Very low25Very low121 Ų121136.3 Ų136.373%0.73379%0.79SS**  trans-147.1114.5145.2-176.30000109.6L113L113-V115 PolarHBondContact O-N 2.89Å
116E23.9Very low24.2Very low183 Ų183137.4 Ų137.486%0.85579%0.792SS**  trans29.4129.4150.2-71.5172.1142.800123.8
117K19.6Very low23.9Very low195 Ų195139.5 Ų139.585%0.84879%0.792SS**  trans-76.7142.2162.9-163.4179.4-168.3178.50109.9
118P24Very low23.9Very low127 Ų127141.6 Ų141.683%0.82580%0.797SS**  -138.2155.7121.628-10.3000113.5
119A19.9Very low24Very low89 Ų89144 Ų14474%0.73680%0.803SS**  trans-95.3145.4-170.600000113
120S24.1Very low24Very low109 Ų109145.2 Ų145.276%0.76280%0.801SS**  trans176.8137.5158.451.20000106.2
121T25.5Very low23.9Very low124 Ų124152.4 Ų152.476%0.76181%0.808SS**  cis-170.3131.413.59.40000106.2
122T24.4Very low24Very low129 Ų129152 Ų15279%0.79181%0.808SS**  trans39.2120145.79.90000122.4
123D21.2Very low24.2Very low144 Ų144156.5 Ų156.577%0.7782%0.815SS**  trans-32135.9153.3-68-54000116.3
124V28.2Very low24.1Very low131 Ų131154.1 Ų154.179%0.79481%0.812SS**  trans-148.399.4131.8-176.10000107.7E126V124-E126 HydrophobicContact CG1-CG 4.2Å
125L24.7Very low24.5Very low164 Ų164159 Ų15986%0.85982%0.82SS**  trans-83.3106.5165.8-131.891.3000107E127L125-E127 PolarHBondContact O-N 3.17Å
126E23.3Very low24.4Very low182 Ų182164.5 Ų164.585%0.8583%0.827SS**  trans-76.6113.3175.1-82.4-166.8146.700110.7V124V124-E126 HydrophobicContact CG1-CG 4.2Å
127E24.7Very low24.6Very low173 Ų173167.4 Ų167.481%0.80883%0.83SS**  trans-66.8127.8175.2-76.3-174.914600112.7L125 N129L125-E127 PolarHBondContact O-N 3.17Å; E127-N129 PolarHBondContact O-N 2.85Å; E127-N129 PolarHBondContact O-ND2 3.44Å
128T25.1Very low24.8Very low127 Ų127164.3 Ų164.378%0.77983%0.832SS**  trans-64.9104.1174.249.20000112.1L130T128-L130 PolarHBondContact O-N 3.15Å
129N24.5Very low25Very low149 Ų149164.6 Ų164.680%0.79783%0.832SS**  trans-85.781.6172-82.8-78.4000111.6E127 R131E127-N129 PolarHBondContact O-N 2.85Å; E127-N129 PolarHBondContact O-ND2 3.44Å; N129-R131 PolarHBondContact O-N 2.87Å
130L27.1Very low25.2Very low153 Ų153167.6 Ų167.680%0.80184%0.835SS**  trans-8099.5170.8-77.6163.2000110.3T128 H132T128-L130 PolarHBondContact O-N 3.15Å; L130-H132 PolarHBondContact O-N 2.76Å; L130-H132 VanDerWaalsContact O-N 3.09Å
131R23.4Very low25.5Very low246 Ų246170.3 Ų170.393%0.92884%0.841SS**  trans-62.2104.2176.3-72.9177.4173.6175-1.8111.5N129 R133N129-R131 PolarHBondContact O-N 2.87Å; R131-R133 PolarHBondContact O-N 3.13Å
132H26Very low25.6Very low186 Ų186173.5 Ų173.586%0.86185%0.845SS**  trans-68.3109.2164.3-80.4-38000110.6L130 S134L130-H132 PolarHBondContact O-N 2.76Å; L130-H132 VanDerWaalsContact O-N 3.09Å; H132-S134 PolarHBondContact O-N 2.96Å
133R24.1Very low25.6Very low250 Ų250175.3 Ų175.394%0.94385%0.85SS**  trans-73.595.8172.7-133.3178.2-172.6178.22.1108.8R131 R135R131-R133 PolarHBondContact O-N 3.13Å; R133-R135 PolarHBondContact O-N 3.13Å
134S25.1Very low26Very low114 Ų114173.6 Ų173.680%0.79785%0.848SS**  trans-48.8123.1174.2177.90000112.2H132H132-S134 PolarHBondContact O-N 2.96Å
135R28.1Very low25.8Very low244 Ų244171 Ų17192%0.92185%0.848SS**  trans-93.7107.4174.5-156.7177.3-172.5-179.22.5107.7R133 R137R133-R135 PolarHBondContact O-N 3.13Å; R135-R137 PolarHBondContact O-N 2.98Å
136R26.4Very low25.9Very low236 Ų236171 Ų17189%0.89185%0.848SS**  trans-49.5119.6173.5-75.1175.8173.5168.9-3.4111.6
137R27.4Very low26Very low243 Ų243170.1 Ų170.192%0.91785%0.85SS**  trans-151.2101147.3-97.7-177.4-174.8176.1-0.5107.4R135R135-R137 PolarHBondContact O-N 2.98Å
138C23.9Very low26.1Very low130 Ų130171.8 Ų171.888%0.87885%0.854SS**  trans-82.3122.4164.7-70.70000107.9
139T28.3Very low26Very low134 Ų134173.8 Ų173.882%0.82286%0.857SS**  trans-145.8118.9151.541.60000105.9
140D24.7Very low25.9Very low151 Ų151172 Ų17281%0.80786%0.856SS**  trans-54.4137.2177-57.3-61.5000111.3
141D29.8Very low25.7Very low166 Ų166170.7 Ų170.789%0.88885%0.854SS**  trans-165.5149.5139.5-97.2-31000111.6
142K28.2Very low25.6Very low192 Ų192164.4 Ų164.484%0.83585%0.848SS**  trans-76.9154.5-153.6-67168.6172.1168.30115.5
143D23.2Very low25.7Very low167 Ų167164.1 Ų164.189%0.89385%0.849SS**  trans-19.6126.2158.5-83.8-40.9000116.9
144S29Very low25.8Very low107 Ų107160.9 Ų160.975%0.74885%0.845SS**  trans-152.2115.4136.852.10000109.9
145G24Very low25.5Very low76 Ų76163.3 Ų163.378%0.78485%0.849SS**  trans-69.4132.217700000111.8
146L27.4Very low25.5Very low164 Ų164157.1 Ų157.186%0.85984%0.843SS**  trans-124.497.9163.7-106.6127.9000108.1K148L146-K148 PolarHBondContact O-N 3.13Å
147N24.8Very low25.3Very low165 Ų165153 Ų15388%0.88284%0.839SS**  trans-55111.2169.6-71.7-28.6000109.6
148K27.2Very low25.2Very low207 Ų207150.7 Ų150.790%0.984%0.835SS**  trans-98.5105.2165.4-104.7-179.4177.81780109.1L146 S150L146-K148 PolarHBondContact O-N 3.13Å; K148-S150 PolarHBondContact O-N 3.5Å
149M22.7Very low25.1Very low170 Ų170154 Ų15484%0.83784%0.835SS**  trans-50.8119174.7-167.979.117000111.8
150S23.1Very low25.1Very low111 Ų111155.5 Ų155.578%0.77684%0.838SS**  trans-68.3121.6165.815.30000109.5K148K148-S150 PolarHBondContact O-N 3.5Å
151T23.7Very low25.1Very low126 Ų126157.6 Ų157.677%0.77384%0.84SS**  trans-104.5101.1170.417.20000108
152S21.5Very low24.7Very low113 Ų113157.5 Ų157.579%0.7984%0.839SS**PPolyproline II helixtrans-77116.5166.250.20000108.8
153M27.8Very low24.6Very low180 Ų180155.6 Ų155.689%0.88784%0.838SS**PPolyproline II helixtrans-99.4123.4167.3-84-81.1153.900108
154Q25.1Very low24.8Very low182 Ų182152.6 Ų152.685%0.8583%0.83SS**PPolyproline II helixtrans-69.4147.5-174.5-73.2168.4-62.100112.6
155D19.1Very low24.9Very low165 Ų165155 Ų15588%0.88283%0.834SS**  trans-43.9131.6160.2-80.9-47.9000112.4
156S27.4Very low25.3Very low114 Ų114158.3 Ų158.380%0.79783%0.833SS**  trans-135.6113.8157.140.70000109.9
157D22.1Very low25.5Very low151 Ų151158.9 Ų158.981%0.80783%0.832SS**  trans-53.9140.1168.9-65-64.4000112.5
158K25.7Very low26.3Very low193 Ų193155.6 Ų155.684%0.83982%0.819SS**  149.4110.1122.3-83.8168.4-1791680112.8
159K21.3Very low27.4Very low201 Ų201151.1 Ų151.187%0.87481%0.809SS**  61.282.2120.9-153.6179.9-166177.40116.5
160D28.4Very low29.1Very low165 Ų165146.9 Ų146.988%0.88279%0.794SS**  trans-120.3138.5155.3-91.5-38.6000112.6
161K25.9Very low31.3Very low195 Ų195144.5 Ų144.585%0.84877%0.772SS**  trans-67.9144.1-163.6-73.4164.4170.7171.10112.8N163K161-N163 PolarHBondContact O-N 2.88Å
162N22.1Very low33.9Very low163 Ų163142.9 Ų142.987%0.87276%0.756SS**  trans-35.595.2160.8-68.5-15.3000113.2
163N25.9Very low36.8Very low152 Ų152137.8 Ų137.881%0.81372%0.72SS**  trans-113.792.2143.3-108.2-7.2000104.4K161 L165K161-N163 PolarHBondContact O-N 2.88Å; N163-L165 PolarHBondContact O-N 2.68Å
164S27.5Very low39.5Very low105 Ų105133.6 Ų133.673%0.73470%0.698SS**  trans-66.180.3165.462.50000106.7N166S164-N166 VanDerWaalsContact C-N 3.32Å; S164-N166 PolarHBondContact O-N 2.81Å
165L30.5Very low42.5Very low157 Ų157125.9 Ų125.982%0.82266%0.663SS**  trans-58107.2161.1-155.780.3000103.4N163 E167N163-L165 PolarHBondContact O-N 2.68Å; L165-E167 VanDerWaalsContact C-N 3.33Å; L165-E167 PolarHBondContact O-N 3.12Å
166N31.9Very low45.7Very low145 Ų145120 Ų12078%0.77563%0.633SS**  trans-52.2101.7179.7-72-32.6000107.5S164S164-N166 VanDerWaalsContact C-N 3.32Å; S164-N166 PolarHBondContact O-N 2.81Å
167E31.6Very low48.7Very low176 Ų176117.5 Ų117.582%0.82261%0.607SS**  trans-58.9127.5170.3-88.4-172.6152.900106.2L165 V169L165-E167 VanDerWaalsContact C-N 3.33Å; L165-E167 PolarHBondContact O-N 3.12Å; E167-V169 PolarHBondContact O-N 3.46Å
168P42.2Very low51.7Low96 Ų96111.3 Ų111.362%0.62358%0.575SS**  trans-60.5110.6177.724-30.9000107.6P170P168-P170 WeakPolarHBondContact O-CD 3.32Å
169V49.4Very low54.6Low114 Ų114102.7 Ų102.769%0.69154%0.537SS*.  trans-53.4125.9176.5178.20000107.7E167 L171E167-V169 PolarHBondContact O-N 3.46Å; V169-L171 PolarHBondContact O-N 3.2Å
170P59.3Low57.9Low80 Ų8093.8 Ų93.852%0.51950%0.498SS..  trans-56.7124.5-178.9-26.834.7000111Y47 P168 E172Y47-P170 VanDerWaalsContact OH-CA 3.27Å; Y47-P170 WeakPolarHBondContact OH-CA 3.31Å; Y47-P170 WeakPolarHBondContact OH-CB 3.49Å; P168-P170 WeakPolarHBondContact O-CD 3.32Å; P170-E172 PolarHBondContact O-N 3.39Å; P170-E172 VanDerWaalsContact O-N 3.16Å
171L68.6Low60.7Low61 Ų6186 Ų8632%0.31946%0.457SS..  trans-73.6106.3-179.9-160.284.5000108.5N45 S62 S101 V169 W173N45-L171 PolarHBondContact ND2-O 2.79Å; S62-L171 WeakPolarHBondContact CB-O 3.4Å; S101-L171 VanDerWaalsContact OG-CD1 3.3Å; S101-L171 WeakPolarHBondContact OG-CD1 3.47Å; S101-L171 VanDerWaalsContact OG-CG 3.26Å; S101-L171 WeakPolarHBondContact OG-CG 3.49Å; V169-L171 PolarHBondContact O-N 3.2Å; L171-W173 HydrophobicContact CD2-CH2 4.33Å; L171-W173 HydrophobicContact CD2-CZ2 3.47Å; L171-W173 VanDerWaalsContact CD2-CZ2 3.47Å
172E79.5Confident63.6Low92 Ų9278.5 Ų78.543%0.4343%0.428SS..EExtended strand (participates in β ladder)trans-83.6136.4176.8-163.9-170.2147.500110S62 K102 P170S62-E172 WeakPolarHBondContact O-CA 3.36Å; S62-E172 WeakPolarHBondContact O-CG 3.08Å; K102-E172 HydrophobicContact CB-CB 4.39Å; K102-E172 HydrophobicContact CD-CB 4.47Å; K102-E172 HydrophobicContact CD-CG 4.38Å; K102-E172 PolarHBondContact N-O 3.39Å; K102-E172 IonicContact NZ-OE1 2.81Å; K102-E172 PolarHBondContact NZ-OE1 3.24Å; P170-E172 PolarHBondContact O-N 3.39Å; P170-E172 VanDerWaalsContact O-N 3.16Å
173W81.9Confident66.5Low6 Ų671.6 Ų71.62%0.02339%0.391CS..EExtended strand (participates in β ladder)trans-113.6138.3179.5-69.495000111.2L19 D20 S23 I43 N45 S62 G63 V99 Q100 L171L19-W173 HydrophobicContact CD2-CD2 4.13Å; L19-W173 HydrophobicContact CD2-CE3 4.23Å; L19-W173 HydrophobicContact CD2-CH2 4.18Å; L19-W173 HydrophobicContact CD2-CZ2 4.09Å; L19-W173 HydrophobicContact CD2-CZ3 4.25Å; D20-W173 WeakPolarHBondContact OD2-CZ2 3.32Å; S23-W173 PolarHBondContact OG-NE1 2.77Å; S23-W173 VanDerWaalsContact OG-NE1 3.17Å; I43-W173 HydrophobicContact CB-CB 4.37Å; I43-W173 HydrophobicContact CD1-CB 3.61Å; I43-W173 HydrophobicContact CD1-CD2 4.46Å; I43-W173 HydrophobicContact CD1-CG 3.99Å; I43-W173 HydrophobicContact CG2-CB 4.32Å; I43-W173 HydrophobicContact CG2-CG 3.94Å; N45-W173 PolarHBondContact OD1-NE1 3Å; S62-W173 PolarHBondContact O-N 3.12Å; G63-W173 WeakPolarHBondContact CA-O 3.45Å; V99-W173 HydrophobicContact CG1-CD2 4.18Å; V99-W173 HydrophobicContact CG1-CE3 3.46Å; V99-W173 VanDerWaalsContact CG1-CE3 3.46Å; V99-W173 HydrophobicContact CG1-CZ3 3.9Å; Q100-W173 VanDerWaalsContact C-CE3 3.48Å; L171-W173 HydrophobicContact CD2-CH2 4.33Å; L171-W173 HydrophobicContact CD2-CZ2 3.47Å; L171-W173 VanDerWaalsContact CD2-CZ2 3.47Å
174E84.8Confident68.6Low92 Ų9267.6 Ų67.643%0.4337%0.368SS..EExtended strand (participates in β ladder)trans-113.9136.6172.6-168.5169.7167.100110.6V99 Q100 K102V99-E174 WeakPolarHBondContact CA-O 3.44Å; Q100-E174 PolarHBondContact N-O 3.3Å; Q100-E174 PolarHBondContact O-N 3.18Å; K102-E174 WeakPolarHBondContact CE-OE2 3.09Å; K102-E174 IonicContact NZ-OE2 3.6Å
175L87.6Confident70.1Confident21 Ų2168.2 Ų68.211%0.1136%0.359CS..EExtended strand (participates in β ladder)trans-109.4120172.2-76.273.3000108.5I41 I43 L65 I86 I98 V99I41-L175 HydrophobicContact CB-CD2 4.42Å; I41-L175 HydrophobicContact CG2-CD2 3.9Å; I43-L175 HydrophobicContact CD1-CD1 3.27Å; I43-L175 HydrophobicContact CD1-CG 4.24Å; I43-L175 HydrophobicContact CG1-CD1 3.91Å; L65-L175 HydrophobicContact CD2-CB 3.63Å; L65-L175 HydrophobicContact CD2-CD2 3.83Å; L65-L175 HydrophobicContact CD2-CG 4.38Å; L65-L175 HydrophobicContact CG-CD2 4.19Å; I86-L175 HydrophobicContact CD1-CD2 3.95Å; I86-L175 HydrophobicContact CD1-CG 4.45Å; I98-L175 WeakPolarHBondContact O-CA 3.13Å; V99-L175 HydrophobicContact CG2-CG 4.34Å
176T87.4Confident71.1Confident41 Ų4164.7 Ų64.725%0.25234%0.338SS..EExtended strand (participates in β ladder)trans-112.5129.4175.2-450000109.2Y97 I98 V178Y97-T176 CarbonylContact C-O 3.42Å; Y97-T176 VanDerWaalsContact CA-O 3.25Å; Y97-T176 WeakPolarHBondContact CA-O 2.99Å; I98-T176 PolarHBondContact N-O 3.43Å; I98-T176 PolarHBondContact O-N 3.01Å; T176-V178 PolarHBondContact O-N 3.41Å
177K88.5Confident71.5Confident61 Ų6164.7 Ų64.727%0.26534%0.337SS..EExtended strand (participates in β ladder)trans-69.7121.8175.2-178.4167.6174.9162.60109.3V95 Y97 E180 F362V95-K177 HydrophobicContact CG1-CD 3.68Å; V95-K177 HydrophobicContact CG1-CG 3.73Å; Y97-K177 HydrophobicContact CD1-CB 3.9Å; Y97-K177 HydrophobicContact CE1-CB 3.72Å; Y97-K177 HydrophobicContact CE1-CD 4.44Å; Y97-K177 HydrophobicContact CE1-CG 4.19Å; K177-E180 WeakPolarHBondContact CE-OE2 3.44Å; K177-E180 IonicContact NZ-OE2 2.8Å; K177-E180 PolarHBondContact NZ-OE2 3.12Å; K177-F362 HydrophobicContact CD-CD2 4.49Å; K177-F362 HydrophobicContact CD-CE2 4.15Å; K177-F362 HydrophobicContact CD-CZ 4.48Å; K177-F362 VanDerWaalsContact CE-CE2 3.44Å; K177-F362 HydrophobicContact CG-CD2 4.04Å; K177-F362 HydrophobicContact CG-CE2 4.15Å
178V86.5Confident71.6Confident21 Ų2160.7 Ų60.713%0.12733%0.328CS..EExtended strand (participates in β ladder)trans-108.5-40.5-178.8-1700000111.1E96 I98 T176 F362E96-V178 PolarHBondContact O-N 2.86Å; I98-V178 HydrophobicContact CB-CG2 3.63Å; I98-V178 HydrophobicContact CG2-CG2 3.41Å; I98-V178 VanDerWaalsContact CG2-CG2 3.41Å; T176-V178 PolarHBondContact O-N 3.41Å; V178-F362 PolarHBondContact O-N 3.06Å
179R86.6Confident70.9Confident13 Ų1359.6 Ų59.65%0.04932%0.323CS..EExtended strand (participates in β ladder)trans-140.3149.8-175.8-61.9-179-81.6-154.42.8112.4E96 Y181 M359 K360 T361E96-R179 HydrophobicContact CB-CB 4.19Å; E96-R179 VanDerWaalsContact CD-NH2 3.25Å; E96-R179 PolarHBondContact N-O 3.14Å; E96-R179 PolarHBondContact O-N 3.27Å; E96-R179 IonicContact OE1-NH2 3.52Å; E96-R179 PolarHBondContact OE1-NH2 3.34Å; E96-R179 VanDerWaalsContact OE1-NH2 3.11Å; E96-R179 IonicContact OE2-CZ 3.62Å; E96-R179 IonicContact OE2-NE 3.73Å; E96-R179 PolarHBondContact OE2-NE 3.35Å; E96-R179 IonicContact OE2-NH2 2.84Å; E96-R179 PolarHBondContact OE2-NH2 2.66Å; R179-Y181 HydrophobicContact CB-CE2 4.08Å; R179-Y181 VanDerWaalsContact CD-OH 3.31Å; R179-Y181 WeakPolarHBondContact CD-OH 3.4Å; R179-Y181 PolarHBondContact NE-OH 2.83Å; R179-M359 HydrophobicContact CG-CE 4.02Å; R179-K360 CarbonylContact C-O 3.54Å; R179-K360 VanDerWaalsContact CA-O 3.28Å; R179-K360 WeakPolarHBondContact CA-O 3.28Å; R179-T361 HydrophobicContact CG-CG2 4.27Å
180E89.8Confident69.8Low13 Ų1359.3 Ų59.36%0.06133%0.326CS..EExtended strand (participates in β ladder)trans-131.8125.9171.9175.4177.6123.900109.2K93 K177 M359 K360 F362K93-E180 HydrophobicContact CB-CG 4.32Å; K93-E180 HydrophobicContact CD-CG 4.09Å; K93-E180 WeakPolarHBondContact CD-OE1 3.49Å; K93-E180 VanDerWaalsContact CE-OE1 3.28Å; K93-E180 WeakPolarHBondContact CE-OE1 3.47Å; K93-E180 HydrophobicContact CG-CG 4.44Å; K93-E180 IonicContact NZ-OE1 2.84Å; K93-E180 PolarHBondContact NZ-OE1 3.07Å; K93-E180 IonicContact NZ-OE2 3.71Å; K177-E180 WeakPolarHBondContact CE-OE2 3.44Å; K177-E180 IonicContact NZ-OE2 2.8Å; K177-E180 PolarHBondContact NZ-OE2 3.12Å; E180-M359 CarbonylContact O-C 3.41Å; E180-M359 WeakPolarHBondContact O-CA 3.12Å; E180-K360 HydrophobicContact CB-CB 4.28Å; E180-K360 PolarHBondContact N-O 3.35Å; E180-K360 PolarHBondContact O-N 3.36Å; E180-F362 HydrophobicContact CB-CE2 3.9Å; E180-F362 HydrophobicContact CB-CZ 4.5Å
181Y87.8Confident68.4Low2 Ų259.9 Ų59.91%0.00834%0.338CS..EExtended strand (participates in β ladder)trans-109.4122.4177.1-52.2-81.2000108.9K93 C94 E96 R179 L224 I236 I357 R358 M359K93-Y181 WeakPolarHBondContact CA-O 3.29Å; C94-Y181 HydrophobicContact CB-CD2 4.29Å; C94-Y181 PolarHBondContact N-O 3.46Å; C94-Y181 WeakPolarHBondContact O-CD2 3.47Å; C94-Y181 PolarHBondContact O-N 3Å; E96-Y181 HydrophobicContact CB-CE2 4.27Å; E96-Y181 PolarHBondContact OE2-OH 2.85Å; R179-Y181 HydrophobicContact CB-CE2 4.08Å; R179-Y181 VanDerWaalsContact CD-OH 3.31Å; R179-Y181 WeakPolarHBondContact CD-OH 3.4Å; R179-Y181 PolarHBondContact NE-OH 2.83Å; Y181-L224 HydrophobicContact CE2-CD2 4.11Å; Y181-I236 HydrophobicContact CD1-CD1 3.74Å; Y181-I236 HydrophobicContact CD2-CD1 4.41Å; Y181-I236 HydrophobicContact CE1-CD1 3.89Å; Y181-I236 HydrophobicContact CE1-CG2 4.09Å; Y181-I236 HydrophobicContact CG-CD1 4Å; Y181-I357 HydrophobicContact CD1-CG2 3.99Å; Y181-I357 HydrophobicContact CG-CG2 4.45Å; Y181-R358 WeakPolarHBondContact CA-O 3.22Å; Y181-M359 HydrophobicContact CD1-CB 4.25Å; Y181-M359 HydrophobicContact CD1-CG 3.97Å; Y181-M359 HydrophobicContact CE1-CB 4.47Å; Y181-M359 HydrophobicContact CE1-CE 3.82Å; Y181-M359 HydrophobicContact CE1-CG 3.77Å; Y181-M359 HydrophobicContact CE1-SD 4.09Å
182T86.5Confident66.5Low38 Ų3863.9 Ų63.923%0.23336%0.359CS..EExtended strand (participates in β ladder)trans-111.8120.4170.9-51.40000108.3M184 R358T182-M184 PolarHBondContact O-N 2.91Å; T182-R358 PolarHBondContact N-O 3.04Å; T182-R358 PolarHBondContact O-N 3.25Å
183L82.4Confident63.9Low18 Ų1867.4 Ų67.49%0.09438%0.381CS..EExtended strand (participates in β ladder)trans-69.7126.3176.7-67157.3000108.3G209 P211 I226 F234 I357L183-G209 WeakPolarHBondContact CB-O 3.49Å; L183-G209 VanDerWaalsContact CD1-O 3.25Å; L183-G209 WeakPolarHBondContact CD1-O 3.5Å; L183-P211 HydrophobicContact CD1-CB 3.61Å; L183-P211 HydrophobicContact CD1-CG 4.09Å; L183-I226 HydrophobicContact CD1-CG2 4.13Å; L183-F234 HydrophobicContact CD2-CB 4.46Å; L183-F234 HydrophobicContact CD2-CD1 3.96Å; L183-F234 HydrophobicContact CD2-CD2 3.21Å; L183-F234 HydrophobicContact CD2-CE1 3.95Å; L183-F234 HydrophobicContact CD2-CE2 3.21Å; L183-F234 HydrophobicContact CD2-CG 3.62Å; L183-F234 HydrophobicContact CD2-CZ 3.59Å; L183-I357 HydrophobicContact CD2-CD1 4.26Å; L183-I357 HydrophobicContact CD2-CG1 4.05Å
184M69.7Low61.4Low67 Ų6772.1 Ų72.133%0.3342%0.415SS..PPolyproline II helixtrans-79.5130.3178.8-64.4-174.1173.200110.1T182 G356 R358 I379T182-M184 PolarHBondContact O-N 2.91Å; M184-G356 WeakPolarHBondContact CB-O 3.22Å; M184-G356 WeakPolarHBondContact CG-O 3.41Å; M184-G356 PolarHBondContact N-O 2.88Å; M184-R358 HydrophobicContact CE-CB 3.62Å; M184-R358 HydrophobicContact CE-CG 4.3Å; M184-I379 HydrophobicContact CE-CB 4.29Å; M184-I379 HydrophobicContact CE-CD1 3.95Å; M184-I379 HydrophobicContact CE-CG1 3.75Å; M184-I379 HydrophobicContact CE-CG2 3.71Å; M184-I379 HydrophobicContact SD-CG2 4.35Å
185E58.9Low58.5Low118 Ų11871.4 Ų71.455%0.55143%0.432SS*.PPolyproline II helixtrans-67.2141.8178.5-168.6173.4-164.400111.1I187E185-I187 PolarHBondContact O-N 3.34Å
186Q51.8Low55.6Low83 Ų8375.1 Ų75.139%0.38846%0.46SS..  trans-77.6115.7170.2-160.8-171.4-41.900108.2S188Q186-S188 VanDerWaalsContact C-N 3.3Å; Q186-S188 PolarHBondContact O-N 3.4Å
187I40.2Very low52.6Low146 Ų14682.7 Ų82.775%0.74949%0.492SS*.  trans-6799.9160.9-55.2169.4000104.9E185 S189E185-I187 PolarHBondContact O-N 3.34Å; I187-S189 PolarHBondContact O-N 3.18Å
188S34.1Very low49.7Very low92 Ų9284.5 Ų84.564%0.64351%0.513SS*.  trans-55.5108.1173.352.30000108.2Q186 S190Q186-S188 VanDerWaalsContact C-N 3.3Å; Q186-S188 PolarHBondContact O-N 3.4Å; S188-S190 PolarHBondContact O-N 3.15Å; S188-S190 VanDerWaalsContact O-N 3.11Å
189S28.1Very low46.9Very low73 Ų7389.1 Ų89.151%0.5154%0.543SS..  trans-59.7114.4157.653.50000105.5I187 A191I187-S189 PolarHBondContact O-N 3.18Å; S189-A191 PolarHBondContact O-N 3.39Å
190S25Very low44.1Very low107 Ų10794 Ų9475%0.74858%0.58SS**  trans-44.1105.3170.149.70000108.7S188 D192S188-S190 PolarHBondContact O-N 3.15Å; S188-S190 VanDerWaalsContact O-N 3.11Å; S190-D192 PolarHBondContact O-N 3.26Å
191A31.7Very low41Very low93 Ų9397.6 Ų97.677%0.76962%0.619SS**  trans-66128.716600000106.1S189 D193S189-A191 PolarHBondContact O-N 3.39Å; A191-D193 PolarHBondContact O-N 2.75Å
192D27.3Very low38.1Very low144 Ų144102.4 Ų102.477%0.7765%0.654SS**  trans-46.3134.4-176.5-62.1-50000111.6S190 S194S190-D192 PolarHBondContact O-N 3.26Å; D192-S194 PolarHBondContact O-N 2.98Å; D192-S194 PolarHBondContact O-OG 2.75Å
193D26.4Very low35.3Very low167 Ų167104.6 Ų104.689%0.89368%0.675SS**  trans-47.678178-157.39.6000111.8A191A191-D193 PolarHBondContact O-N 2.75Å
194S28Very low33Very low104 Ų104109.6 Ų109.673%0.72771%0.709SS**  trans-102.493.2173.1-62.90000106.6D192 S196D192-S194 PolarHBondContact O-N 2.98Å; D192-S194 PolarHBondContact O-OG 2.75Å; S194-S196 PolarHBondContact O-N 3.37Å
195G24.3Very low31.7Very low77 Ų77115.2 Ų115.279%0.79473%0.731SS**  trans-43.6105.1-174.900000113.5
196S25.8Very low31.1Very low99 Ų99114 Ų11469%0.69274%0.736SS**  trans-123.993.7155.872.60000107.2S194 S198S194-S196 PolarHBondContact O-N 3.37Å; S196-S198 VanDerWaalsContact C-N 3.32Å; S196-S198 PolarHBondContact O-N 3.33Å
197E25.5Very low31.3Very low200 Ų200113.5 Ų113.594%0.93574%0.736SS**  trans-5995.4169-66.2-175.5162.800108.5
198S27.9Very low32.5Very low100 Ų100108.8 Ų108.870%0.69972%0.716SS**  trans-88.6128.4167.4-64.90000108.3S196S196-S198 VanDerWaalsContact C-N 3.32Å; S196-S198 PolarHBondContact O-N 3.33Å
199P27.5Very low34.5Very low117 Ų117104.9 Ų104.976%0.7669%0.69SS**  trans-73141.7-171.729.2-33.5000111.2
200S26.9Very low37.4Very low117 Ų117103.6 Ų103.682%0.81868%0.676SS**SBendtrans60.4102.6163.261.40000117.6S202S200-S202 PolarHBondContact O-N 2.84Å
201G25.5Very low40.7Very low87 Ų8799.1 Ų99.190%0.89765%0.645SS**SBend78.437.5120.200000118.6
202S27.2Very low43.6Very low104 Ų10497.3 Ų97.373%0.72762%0.624SS**  trans-156.4116.9144.858.90000107.4S200S200-S202 PolarHBondContact O-N 2.84Å
203A26.8Very low46.8Very low83 Ų8391 Ų9169%0.68659%0.591SS**  trans-45.5135.6161.500000107.3K205A203-K205 PolarHBondContact O-N 3.1Å
204P35.3Very low50.1Low123 Ų12383.6 Ų83.680%0.79955%0.552SS**  trans-52.8112.1171.222.8-30.1000104.7S206P204-S206 PolarHBondContact O-N 2.82Å
205K41.3Very low53.3Low185 Ų18579.6 Ų79.680%0.80452%0.523SS*.  trans-52.2112.9175.4-74.3-179.4176.9-178.90103.5A203 L207A203-K205 PolarHBondContact O-N 3.1Å; K205-L207 VanDerWaalsContact C-N 3.33Å; K205-L207 PolarHBondContact O-N 3.24Å
206S47.1Very low56.5Low93 Ų9377.5 Ų77.565%0.6549%0.493SS*.  trans-53.7109.4174.6550000104.7P204 S208P204-S206 PolarHBondContact O-N 2.82Å; S206-S208 PolarHBondContact O-N 2.88Å
207L54.9Low59.4Low73 Ų7372.8 Ų72.838%0.38246%0.46SS..  trans-65.7114.6-172.3-65.8165.1000105.6K205 G209 D229 S269K205-L207 VanDerWaalsContact C-N 3.33Å; K205-L207 PolarHBondContact O-N 3.24Å; L207-G209 PolarHBondContact O-N 2.83Å; L207-G209 VanDerWaalsContact O-N 3.07Å; L207-D229 WeakPolarHBondContact CD2-O 3.4Å; L207-S269 WeakPolarHBondContact CD1-O 3.37Å
208S66.6Low62.1Low46 Ų4663.2 Ų63.232%0.32242%0.415SS..  trans-69.7-7.1-166.231.10000113.5S206 M210 D229S206-S208 PolarHBondContact O-N 2.88Å; S208-M210 WeakPolarHBondContact OG-CG 3.34Å; S208-D229 PolarHBondContact N-OD2 2.95Å; S208-D229 VanDerWaalsContact N-OD2 3.15Å; S208-D229 PolarHBondContact OG-OD2 2.84Å
209G75.9Confident64.3Low10 Ų1060.1 Ų60.110%0.10339%0.393CS..  trans73.320-171.300000111.9L183 L207 D229L183-G209 WeakPolarHBondContact CB-O 3.49Å; L183-G209 VanDerWaalsContact CD1-O 3.25Å; L183-G209 WeakPolarHBondContact CD1-O 3.5Å; L207-G209 PolarHBondContact O-N 2.83Å; L207-G209 VanDerWaalsContact O-N 3.07Å; G209-D229 VanDerWaalsContact CA-OD1 3.22Å; G209-D229 WeakPolarHBondContact CA-OD1 3.49Å; G209-D229 PolarHBondContact N-OD1 3.49Å
210M88.7Confident66.4Low46 Ų4658.7 Ų58.723%0.22739%0.39CS..  trans-66.9135-176.2-74.8-71.3-6400110.8G91 Q92 S208 S228 D229G91-M210 VanDerWaalsContact C-CE 3.41Å; G91-M210 WeakPolarHBondContact O-CE 3.33Å; Q92-M210 VanDerWaalsContact CA-SD 3.55Å; Q92-M210 HydrophobicContact CB-CE 4.05Å; Q92-M210 HydrophobicContact CB-SD 3.41Å; Q92-M210 WeakPolarHBondContact CB-SD 3.33Å; Q92-M210 HydrophobicContact CG-CE 3.75Å; Q92-M210 HydrophobicContact CG-SD 3.24Å; Q92-M210 WeakPolarHBondContact CG-SD 3.46Å; S208-M210 WeakPolarHBondContact OG-CG 3.34Å; M210-S228 CarbonylContact O-C 3.55Å; M210-S228 WeakPolarHBondContact O-CA 3.48Å; M210-S228 WeakPolarHBondContact O-CB 3.44Å; M210-D229 HydrophobicContact CB-CB 4.47Å; M210-D229 PolarHBondContact N-OD1 2.8Å; M210-D229 PolarHBondContact O-N 3.05Å
211P92.9Very high68.8Low13 Ų1353.2 Ų53.28%0.08435%0.352CS..EExtended strand (participates in β ladder)trans-68.6134.9176.229.2-30.9000110.2L89 G91 L183 I226 G227L89-P211 HydrophobicContact CD1-CB 3.96Å; L89-P211 HydrophobicContact CD2-CB 3.81Å; L89-P211 HydrophobicContact CD2-CG 4.32Å; L89-P211 HydrophobicContact CG-CB 4.44Å; G91-P211 WeakPolarHBondContact O-CG 2.99Å; L183-P211 HydrophobicContact CD1-CB 3.61Å; L183-P211 HydrophobicContact CD1-CG 4.09Å; P211-I226 HydrophobicContact CB-CG2 3.85Å; P211-G227 CarbonylContact C-O 3.59Å; P211-G227 WeakPolarHBondContact CA-O 3.25Å
212T93.8Very high71.3Confident55 Ų5550.2 Ų50.234%0.33732%0.317SS..EExtended strand (participates in β ladder)trans-115.6-33.9-175.351.60000113.2G227 D229 V272T212-G227 PolarHBondContact N-O 3.47Å; T212-G227 PolarHBondContact OG1-O 2.85Å; T212-D229 HydrophobicContact CG2-CB 4Å; T212-V272 VanDerWaalsContact CB-O 3.26Å; T212-V272 WeakPolarHBondContact CB-O 3.3Å; T212-V272 PolarHBondContact OG1-O 3.18Å
213C95Very high74.1Confident12 Ų1245.4 Ų45.48%0.08128%0.283CS..EExtended strand (participates in β ladder)trans-151.4150178.950.20000111G227 M275C213-G227 PolarHBondContact O-N 3.21Å; C213-M275 HydrophobicContact CB-CG 4.29Å; C213-M275 HydrophobicContact CB-SD 4.45Å; C213-M275 VanDerWaalsContact SG-CG 3.56Å; C213-M275 PolarHBondContact SG-SD 3.17Å
214V95.7Very high77.1Confident11 Ų1141.5 Ų41.57%0.06725%0.25CS..EExtended strand (participates in β ladder)trans-130.7141.4178.166.90000110.2S74 T76 A87 L89 L224 A225 I226S74-V214 PolarHBondContact OG-N 3.43Å; T76-V214 HydrophobicContact CG2-CG1 4.26Å; T76-V214 HydrophobicContact CG2-CG2 4.08Å; A87-V214 HydrophobicContact CB-CG2 4.22Å; L89-V214 HydrophobicContact CD1-CB 4.32Å; L89-V214 HydrophobicContact CD2-CB 4.02Å; L89-V214 HydrophobicContact CD2-CG1 4.32Å; L89-V214 HydrophobicContact CG-CB 4.03Å; L89-V214 HydrophobicContact CG-CG1 3.95Å; V214-L224 HydrophobicContact CG2-CD1 3.54Å; V214-L224 HydrophobicContact CG2-CG 4.12Å; V214-A225 WeakPolarHBondContact CA-O 3.28Å; V214-I226 HydrophobicContact CG2-CG1 4.13Å
215T94.5Very high79.9Confident21 Ų2135.6 Ų35.613%0.12921%0.212CC..EExtended strand (participates in β ladder)trans-148.6170173.1-166.30000109.5A225 M275 F277T215-A225 HydrophobicContact CG2-CB 3.89Å; T215-A225 PolarHBondContact N-O 2.87Å; T215-A225 PolarHBondContact O-N 3.23Å; T215-M275 HydrophobicContact CG2-CE 3.83Å; T215-M275 HydrophobicContact CG2-CG 3.99Å; T215-F277 HydrophobicContact CG2-CB 3.89Å
216H91.4Very high82.4Confident32 Ų3226.9 Ų26.915%0.14817%0.174CC..EExtended strand (participates in β ladder)trans-126.3160.4176.875.8-87.6000110.6T76 V77 V78 W223 H279T76-H216 HydrophobicContact CG2-CB 4.34Å; T76-H216 PolarHBondContact OG1-ND1 3.22Å; V77-H216 PolarHBondContact O-CE1 2.85Å; V77-H216 PolarHBondContact O-ND1 3.09Å; V77-H216 VanDerWaalsContact O-ND1 3.14Å; V78-H216 HydrophobicContact CB-CB 4.23Å; V78-H216 HydrophobicContact CG1-CB 3.7Å; V78-H216 HydrophobicContact CG2-CB 3.59Å; H216-W223 VanDerWaalsContact CA-O 3.28Å; H216-W223 WeakPolarHBondContact CA-O 3.33Å; H216-H279 AromaticContact CD2-CE1 3.64Å; H216-H279 AromaticContact NE2-CE1 3.47Å; H216-H279 PolarHBondContact NE2-CE1 2.81Å
217G87.6Confident84.7Confident0 Ų022.4 Ų22.40%014%0.143CC..EExtended strand (participates in β ladder)trans172.1-146.9-179.400000111.9G221 T222 W223 F277G217-G221 CarbonylContact O-C 3.53Å; G217-G221 WeakPolarHBondContact O-CA 3.42Å; G217-T222 PolarHBondContact O-N 3.27Å; G217-W223 PolarHBondContact N-O 3.32Å; G217-W223 WeakPolarHBondContact O-CB 3.12Å; G217-W223 PolarHBondContact O-N 2.9Å; G217-W223 VanDerWaalsContact O-N 3.07Å; G217-F277 VanDerWaalsContact CA-CD1 3.42Å
218G82Confident86.5Confident0 Ų019 Ų190%013%0.125CC..BIsolated β-bridgetrans77.7-172.1-179.400000113.5A220 G221 F277 S278 H279 G280G218-A220 PolarHBondContact O-N 2.85Å; G218-G221 PolarHBondContact O-N 3.26Å; G218-G221 VanDerWaalsContact O-N 3.1Å; G218-F277 VanDerWaalsContact N-CD1 3.33Å; G218-S278 PolarHBondContact N-O 3.42Å; G218-H279 WeakPolarHBondContact O-CA 3.35Å; G218-G280 PolarHBondContact O-N 2.92Å
219P74Confident87.7Confident35 Ų3518.2 Ų18.223%0.22712%0.117CC..G310 helixtrans-59129.6176.6-21.233.9000109.5G221 T222 I313P219-G221 PolarHBondContact O-N 3.24Å; P219-T222 PolarHBondContact O-N 3.21Å; P219-T222 PolarHBondContact O-OG1 3.46Å; P219-T222 VanDerWaalsContact O-OG1 3.06Å; P219-I313 HydrophobicContact CG-CD1 3.38Å
220A71.3Confident88.2Confident86 Ų8618.4 Ų18.471%0.71112%0.117SC*.G310 helixtrans55.413.1-175.200000115.8G218 T222G218-A220 PolarHBondContact O-N 2.85Å; A220-T222 HydrophobicContact CB-CG2 4Å; A220-T222 PolarHBondContact O-N 3.45Å
221G76.3Confident88.3Confident2 Ų216.2 Ų16.22%0.02111%0.107CC..G310 helixtrans68.716.4-178.200000114.3V78 G217 G218 P219V78-G221 WeakPolarHBondContact CG1-O 3.26Å; G217-G221 CarbonylContact O-C 3.53Å; G217-G221 WeakPolarHBondContact O-CA 3.42Å; G218-G221 PolarHBondContact O-N 3.26Å; G218-G221 VanDerWaalsContact O-N 3.1Å; P219-G221 PolarHBondContact O-N 3.24Å
222T78.6Confident88.1Confident24 Ų2415.8 Ų15.815%0.14710%0.104CC..  trans-84.8-10.9-171.956.80000113.7G217 P219 A220 R238 H239G217-T222 PolarHBondContact O-N 3.27Å; P219-T222 PolarHBondContact O-N 3.21Å; P219-T222 PolarHBondContact O-OG1 3.46Å; P219-T222 VanDerWaalsContact O-OG1 3.06Å; A220-T222 HydrophobicContact CB-CG2 4Å; A220-T222 PolarHBondContact O-N 3.45Å; T222-R238 VanDerWaalsContact O-CB 3.22Å; T222-R238 WeakPolarHBondContact O-CB 2.95Å; T222-R238 VanDerWaalsContact O-CG 3.26Å; T222-R238 WeakPolarHBondContact O-CG 3.35Å; T222-R238 PolarHBondContact O-N 2.83Å; T222-R238 PolarHBondContact O-NE 3.45Å; T222-H239 HydrophobicContact CG2-CB 4.45Å
223W86.5Confident88Confident4 Ų413.1 Ų13.12%0.0159%0.087CC..EExtended strand (participates in β ladder)trans-92139.4-175.5-71.463000111.2H216 G217 L235 I236 N237 I259 F277 I313H216-W223 VanDerWaalsContact CA-O 3.28Å; H216-W223 WeakPolarHBondContact CA-O 3.33Å; G217-W223 PolarHBondContact N-O 3.32Å; G217-W223 WeakPolarHBondContact O-CB 3.12Å; G217-W223 PolarHBondContact O-N 2.9Å; G217-W223 VanDerWaalsContact O-N 3.07Å; W223-L235 HydrophobicContact CE3-CB 3.83Å; W223-L235 HydrophobicContact CZ3-CB 4.02Å; W223-I236 WeakPolarHBondContact CA-O 3.5Å; W223-N237 HydrophobicContact CD2-CB 3.89Å; W223-N237 HydrophobicContact CE3-CB 4.04Å; W223-N237 HydrophobicContact CH2-CB 3.85Å; W223-N237 HydrophobicContact CZ2-CB 3.65Å; W223-N237 VanDerWaalsContact CZ2-ND2 3.29Å; W223-N237 WeakPolarHBondContact CZ2-ND2 3.31Å; W223-N237 HydrophobicContact CZ3-CB 4.03Å; W223-I259 HydrophobicContact CH2-CD1 3.63Å; W223-I259 HydrophobicContact CH2-CG1 4.18Å; W223-I259 HydrophobicContact CZ3-CD1 3.69Å; W223-I259 HydrophobicContact CZ3-CG1 4.02Å; W223-F277 HydrophobicContact CB-CD1 4.38Å; W223-F277 HydrophobicContact CB-CE1 3.74Å; W223-F277 HydrophobicContact CG-CE1 4.39Å; W223-I313 HydrophobicContact CD2-CD1 4.45Å; W223-I313 HydrophobicContact CH2-CG1 4.29Å; W223-I313 HydrophobicContact CZ2-CD1 3.88Å; W223-I313 HydrophobicContact CZ2-CG1 3.94Å; W223-I313 HydrophobicContact CZ2-CG2 3.77Å
224L90.7Very high87.8Confident0 Ų012.8 Ų12.80%09%0.085CC..EExtended strand (participates in β ladder)trans-103.7132.4173.3-173.168.1000109T76 A87 Y181 V214 I226 L235 I236 R238T76-L224 HydrophobicContact CG2-CD1 4.14Å; A87-L224 HydrophobicContact CB-CD1 3.54Å; A87-L224 HydrophobicContact CB-CD2 4.06Å; A87-L224 HydrophobicContact CB-CG 4.46Å; Y181-L224 HydrophobicContact CE2-CD2 4.11Å; V214-L224 HydrophobicContact CG2-CD1 3.54Å; V214-L224 HydrophobicContact CG2-CG 4.12Å; L224-I226 HydrophobicContact CD2-CD1 4.19Å; L224-I226 HydrophobicContact CD2-CG1 4.39Å; L224-I226 HydrophobicContact CG-CG1 4.31Å; L224-L235 CarbonylContact O-C 3.48Å; L224-L235 WeakPolarHBondContact O-CA 3.46Å; L224-I236 HydrophobicContact CB-CB 4.47Å; L224-I236 PolarHBondContact N-O 3.05Å; L224-I236 PolarHBondContact O-N 3.18Å; L224-R238 HydrophobicContact CB-CG 4.33Å
225A93.2Very high87.5Confident0 Ų012.3 Ų12.30%08%0.081CC..EExtended strand (participates in β ladder)trans-118.9124.9-179.400000109.3V214 T215 F234 L235 M275 F277V214-A225 WeakPolarHBondContact CA-O 3.28Å; T215-A225 HydrophobicContact CG2-CB 3.89Å; T215-A225 PolarHBondContact N-O 2.87Å; T215-A225 PolarHBondContact O-N 3.23Å; A225-F234 CarbonylContact C-O 3.55Å; A225-F234 WeakPolarHBondContact CA-O 3.36Å; A225-L235 HydrophobicContact CB-CD2 3.31Å; A225-M275 VanDerWaalsContact C-CE 3.41Å; A225-M275 HydrophobicContact CB-CE 3.28Å; A225-M275 WeakPolarHBondContact O-CE 3.26Å; A225-F277 HydrophobicContact CB-CB 4.49Å; A225-F277 HydrophobicContact CB-CD1 4.41Å
226I94.7Very high87.2Confident1 Ų111.3 Ų11.31%0.0058%0.075CC..EExtended strand (participates in β ladder)trans-123.2120.3-177.2-55.8168.1000108.7L89 C94 L183 P211 V214 L224 V233 F234 I236L89-I226 HydrophobicContact CD2-CG2 4.44Å; C94-I226 HydrophobicContact CB-CD1 3.58Å; C94-I226 HydrophobicContact CB-CG1 4.39Å; L183-I226 HydrophobicContact CD1-CG2 4.13Å; P211-I226 HydrophobicContact CB-CG2 3.85Å; V214-I226 HydrophobicContact CG2-CG1 4.13Å; L224-I226 HydrophobicContact CD2-CD1 4.19Å; L224-I226 HydrophobicContact CD2-CG1 4.39Å; L224-I226 HydrophobicContact CG-CG1 4.31Å; I226-V233 CarbonylContact O-C 3.56Å; I226-V233 WeakPolarHBondContact O-CA 3.31Å; I226-F234 PolarHBondContact N-O 2.68Å; I226-F234 PolarHBondContact O-N 2.94Å; I226-I236 HydrophobicContact CD1-CD1 3.73Å
227G94Very high86.7Confident0 Ų010.4 Ų10.40%07%0.072CC..EExtended strand (participates in β ladder)trans-92153.7172.800000111.5P211 T212 C213 M275P211-G227 CarbonylContact C-O 3.59Å; P211-G227 WeakPolarHBondContact CA-O 3.25Å; T212-G227 PolarHBondContact N-O 3.47Å; T212-G227 PolarHBondContact OG1-O 2.85Å; C213-G227 PolarHBondContact O-N 3.21Å; G227-M275 PolarHBondContact N-SD 2.98Å
228S92.8Very high86.1Confident0 Ų010.9 Ų10.90%07%0.073CC..EExtended strand (participates in β ladder)trans-125.5166.3178.175.40000114.2M210 S230 G231 S232 G271 V272M210-S228 CarbonylContact O-C 3.55Å; M210-S228 WeakPolarHBondContact O-CA 3.48Å; M210-S228 WeakPolarHBondContact O-CB 3.44Å; S228-S230 PolarHBondContact O-N 2.91Å; S228-S230 PolarHBondContact OG-N 3.1Å; S228-S230 PolarHBondContact OG-OG 2.92Å; S228-G231 PolarHBondContact O-N 3.04Å; S228-S232 PolarHBondContact N-O 2.93Å; S228-S232 PolarHBondContact OG-N 2.95Å; S228-S232 PolarHBondContact OG-O 2.86Å; S228-S232 PolarHBondContact OG-OG 3.24Å; S228-G271 WeakPolarHBondContact O-CA 3.29Å; S228-V272 PolarHBondContact O-N 3.46Å
229D91.3Very high85.4Confident30 Ų3015.1 Ų15.116%0.169%0.093CC..THydrogen-bonded Turntrans-64.2-21.417368.9-13.7000113.6L207 S208 G209 M210 T212 G231 G271L207-D229 WeakPolarHBondContact CD2-O 3.4Å; S208-D229 PolarHBondContact N-OD2 2.95Å; S208-D229 VanDerWaalsContact N-OD2 3.15Å; S208-D229 PolarHBondContact OG-OD2 2.84Å; G209-D229 VanDerWaalsContact CA-OD1 3.22Å; G209-D229 WeakPolarHBondContact CA-OD1 3.49Å; G209-D229 PolarHBondContact N-OD1 3.49Å; M210-D229 HydrophobicContact CB-CB 4.47Å; M210-D229 PolarHBondContact N-OD1 2.8Å; M210-D229 PolarHBondContact O-N 3.05Å; T212-D229 HydrophobicContact CG2-CB 4Å; D229-G231 VanDerWaalsContact C-N 3.28Å; D229-G231 PolarHBondContact O-N 2.78Å; D229-G271 VanDerWaalsContact C-CA 3.43Å; D229-G271 WeakPolarHBondContact O-CA 3.31Å; D229-G271 PolarHBondContact O-N 2.87Å
230S88.1Confident84.4Confident15 Ų1514.3 Ų14.311%0.1059%0.087CC..THydrogen-bonded Turntrans-80.4-5.7175.769.70000114.3S228 S232 S269S228-S230 PolarHBondContact O-N 2.91Å; S228-S230 PolarHBondContact OG-N 3.1Å; S228-S230 PolarHBondContact OG-OG 2.92Å; S230-S232 VanDerWaalsContact C-N 3.33Å; S230-S232 PolarHBondContact OG-OG 3.49Å; S230-S269 CarbonylContact O-C 3.52Å; S230-S269 WeakPolarHBondContact O-CA 3.32Å
231G89.2Confident83.5Confident0 Ų011 Ų110%06%0.057CC..SBendtrans83.27.6-174.400000114.4S228 D229 D263 V264 T270S228-G231 PolarHBondContact O-N 3.04Å; D229-G231 VanDerWaalsContact C-N 3.28Å; D229-G231 PolarHBondContact O-N 2.78Å; G231-D263 WeakPolarHBondContact O-CA 3.48Å; G231-V264 VanDerWaalsContact O-CG2 3.29Å; G231-V264 WeakPolarHBondContact O-CG2 3.43Å; G231-V264 PolarHBondContact O-N 3.35Å; G231-T270 WeakPolarHBondContact CA-O 3.06Å; G231-T270 PolarHBondContact N-O 2.81Å
232S90.2Very high82Confident3 Ų315.6 Ų15.62%0.0218%0.077CC..  trans-83.7148.4172.348.10000112.5S228 S230 F234 Y261 P262S228-S232 PolarHBondContact N-O 2.93Å; S228-S232 PolarHBondContact OG-N 2.95Å; S228-S232 PolarHBondContact OG-O 2.86Å; S228-S232 PolarHBondContact OG-OG 3.24Å; S230-S232 VanDerWaalsContact C-N 3.33Å; S230-S232 PolarHBondContact OG-OG 3.49Å; S232-F234 VanDerWaalsContact OG-CE2 3.24Å; S232-F234 WeakPolarHBondContact OG-CE2 3.48Å; S232-Y261 CarbonylContact C-O 3.53Å; S232-Y261 VanDerWaalsContact CA-O 3.24Å; S232-Y261 WeakPolarHBondContact CA-O 3.28Å; S232-Y261 WeakPolarHBondContact CB-O 3.32Å; S232-P262 WeakPolarHBondContact CA-O 3.3Å; S232-P262 WeakPolarHBondContact CB-O 3.29Å
233V91.8Very high80Confident0 Ų020.4 Ų20.40%09%0.093CC..EExtended strand (participates in β ladder)trans-125.4128.7172.1178.90000109.7I226 L235 V260 Y261 V264 V272 M275 L294 T296I226-V233 CarbonylContact O-C 3.56Å; I226-V233 WeakPolarHBondContact O-CA 3.31Å; V233-L235 HydrophobicContact CG1-CD2 3.97Å; V233-V260 WeakPolarHBondContact O-CA 3.27Å; V233-Y261 PolarHBondContact N-O 2.81Å; V233-Y261 PolarHBondContact O-N 2.61Å; V233-V264 HydrophobicContact CB-CG1 4.3Å; V233-V264 HydrophobicContact CG2-CB 4.48Å; V233-V264 HydrophobicContact CG2-CG1 3.83Å; V233-V264 HydrophobicContact CG2-CG2 3.81Å; V233-V272 HydrophobicContact CG2-CG2 3.89Å; V233-M275 HydrophobicContact CG1-CE 3.78Å; V233-L294 HydrophobicContact CB-CD2 4.4Å; V233-L294 HydrophobicContact CG1-CD2 3.87Å; V233-T296 HydrophobicContact CG2-CG2 4.29Å
234F90.5Very high77.8Confident5 Ų528.5 Ų28.52%0.02213%0.128CC..EExtended strand (participates in β ladder)trans-109.1123.6179.5-59.9-103.5000109L183 A225 I226 S232 L258 V260 I357L183-F234 HydrophobicContact CD2-CB 4.46Å; L183-F234 HydrophobicContact CD2-CD1 3.96Å; L183-F234 HydrophobicContact CD2-CD2 3.21Å; L183-F234 HydrophobicContact CD2-CE1 3.95Å; L183-F234 HydrophobicContact CD2-CE2 3.21Å; L183-F234 HydrophobicContact CD2-CG 3.62Å; L183-F234 HydrophobicContact CD2-CZ 3.59Å; A225-F234 CarbonylContact C-O 3.55Å; A225-F234 WeakPolarHBondContact CA-O 3.36Å; I226-F234 PolarHBondContact N-O 2.68Å; I226-F234 PolarHBondContact O-N 2.94Å; S232-F234 VanDerWaalsContact OG-CE2 3.24Å; S232-F234 WeakPolarHBondContact OG-CE2 3.48Å; F234-L258 HydrophobicContact CB-CD1 4.25Å; F234-L258 HydrophobicContact CD1-CD1 4.35Å; F234-V260 HydrophobicContact CD1-CB 4.37Å; F234-V260 HydrophobicContact CD1-CG1 4.14Å; F234-V260 HydrophobicContact CD1-CG2 3.33Å; F234-V260 HydrophobicContact CE1-CG1 3.97Å; F234-V260 HydrophobicContact CE1-CG2 3.7Å; F234-V260 HydrophobicContact CG-CG2 4.15Å; F234-V260 HydrophobicContact CZ-CG1 4.32Å; F234-I357 HydrophobicContact CB-CD1 3.52Å; F234-I357 HydrophobicContact CD1-CD1 3.31Å; F234-I357 HydrophobicContact CD1-CG1 3.55Å; F234-I357 HydrophobicContact CE1-CD1 4.21Å; F234-I357 HydrophobicContact CE1-CG1 3.96Å; F234-I357 HydrophobicContact CG-CD1 3.63Å; F234-I357 HydrophobicContact CG-CG1 4.23Å
235L89.5Confident75.5Confident0 Ų032.5 Ų32.50%015%0.15CC..EExtended strand (participates in β ladder)trans-108.1114.5175.1-52.8-176.6000109.1W223 L224 A225 V233 L258 I259 Y261 F277 L294 T311W223-L235 HydrophobicContact CE3-CB 3.83Å; W223-L235 HydrophobicContact CZ3-CB 4.02Å; L224-L235 CarbonylContact O-C 3.48Å; L224-L235 WeakPolarHBondContact O-CA 3.46Å; A225-L235 HydrophobicContact CB-CD2 3.31Å; V233-L235 HydrophobicContact CG1-CD2 3.97Å; L235-L258 CarbonylContact O-C 3.57Å; L235-L258 WeakPolarHBondContact O-CA 3.27Å; L235-I259 HydrophobicContact CB-CB 4.18Å; L235-I259 PolarHBondContact N-O 3.37Å; L235-I259 PolarHBondContact O-N 2.87Å; L235-Y261 HydrophobicContact CD1-CD2 4.42Å; L235-Y261 HydrophobicContact CD1-CE2 3.75Å; L235-Y261 HydrophobicContact CG-CE2 4.33Å; L235-F277 HydrophobicContact CD1-CZ 4.2Å; L235-L294 HydrophobicContact CD2-CD2 4.48Å; L235-T311 HydrophobicContact CD1-CG2 3.77Å
236I86.6Confident72.8Confident0 Ų038.1 Ų38.10%018%0.179CC..EExtended strand (participates in β ladder)trans-107.6122.5-175.4-54.5165.7000108.4Y181 W223 L224 I226 R238 L258 I357Y181-I236 HydrophobicContact CD1-CD1 3.74Å; Y181-I236 HydrophobicContact CD2-CD1 4.41Å; Y181-I236 HydrophobicContact CE1-CD1 3.89Å; Y181-I236 HydrophobicContact CE1-CG2 4.09Å; Y181-I236 HydrophobicContact CG-CD1 4Å; W223-I236 WeakPolarHBondContact CA-O 3.5Å; L224-I236 HydrophobicContact CB-CB 4.47Å; L224-I236 PolarHBondContact N-O 3.05Å; L224-I236 PolarHBondContact O-N 3.18Å; I226-I236 HydrophobicContact CD1-CD1 3.73Å; I236-R238 PolarHBondContact O-N 2.87Å; I236-L258 HydrophobicContact CG1-CD1 4Å; I236-I357 HydrophobicContact CD1-CD1 3.87Å; I236-I357 HydrophobicContact CG1-CD1 4.04Å
237N81.2Confident70Confident14 Ų1443.9 Ų43.98%0.07521%0.207CC..EExtended strand (participates in β ladder)trans-85.8110.2175.9-175-16.7000110.5W223 H239 I240 Q241 Q256 S257W223-N237 HydrophobicContact CD2-CB 3.89Å; W223-N237 HydrophobicContact CE3-CB 4.04Å; W223-N237 HydrophobicContact CH2-CB 3.85Å; W223-N237 HydrophobicContact CZ2-CB 3.65Å; W223-N237 VanDerWaalsContact CZ2-ND2 3.29Å; W223-N237 WeakPolarHBondContact CZ2-ND2 3.31Å; W223-N237 HydrophobicContact CZ3-CB 4.03Å; N237-H239 PolarHBondContact OD1-N 3.22Å; N237-I240 HydrophobicContact CB-CD1 3.83Å; N237-I240 WeakPolarHBondContact ND2-CD1 3.2Å; N237-Q241 PolarHBondContact O-OE1 3.07Å; N237-Q256 WeakPolarHBondContact CB-O 3.37Å; N237-S257 PolarHBondContact N-O 2.86Å
238R75.8Confident67.1Low9 Ų954.5 Ų54.53%0.03425%0.253CS..Hα-helixtrans-82.1-19.5-175.5-53.7-175.8-62.1144.215.5114.1E96 T222 L224 I236 Q241 Q242E96-R238 WeakPolarHBondContact OE1-CD 3.19Å; E96-R238 IonicContact OE1-CZ 2.78Å; E96-R238 IonicContact OE1-NE 3.15Å; E96-R238 IonicContact OE1-NH1 2.83Å; E96-R238 PolarHBondContact OE1-NH1 3.35Å; T222-R238 VanDerWaalsContact O-CB 3.22Å; T222-R238 WeakPolarHBondContact O-CB 2.95Å; T222-R238 VanDerWaalsContact O-CG 3.26Å; T222-R238 WeakPolarHBondContact O-CG 3.35Å; T222-R238 PolarHBondContact O-N 2.83Å; T222-R238 PolarHBondContact O-NE 3.45Å; L224-R238 HydrophobicContact CB-CG 4.33Å; I236-R238 PolarHBondContact O-N 2.87Å; R238-Q241 PolarHBondContact O-N 2.77Å; R238-Q242 PolarHBondContact O-N 3.18Å
239H66.5Low64.2Low90 Ų9061.1 Ų61.142%0.41728%0.283SS..Hα-helixtrans-70.4-41.8-175.7-172.865.7000112.1T222 N237 Q241 Q242T222-H239 HydrophobicContact CG2-CB 4.45Å; N237-H239 PolarHBondContact OD1-N 3.22Å; H239-Q241 PolarHBondContact O-N 3.07Å; H239-Q242 PolarHBondContact O-N 2.83Å
240I54.5Low61.3Low18 Ų1867.5 Ų67.59%0.09232%0.317CS..Hα-helixtrans-62.2-38.6179-54.3160.5000110.1N237 Q242 R243 F244 Y255 Q256N237-I240 HydrophobicContact CB-CD1 3.83Å; N237-I240 WeakPolarHBondContact ND2-CD1 3.2Å; I240-Q242 VanDerWaalsContact C-N 3.3Å; I240-Q242 PolarHBondContact O-N 2.86Å; I240-R243 PolarHBondContact O-N 2.98Å; I240-F244 HydrophobicContact CG2-CD2 4.43Å; I240-F244 HydrophobicContact CG2-CE2 4.01Å; I240-F244 WeakPolarHBondContact O-CD2 3.49Å; I240-F244 PolarHBondContact O-N 3.16Å; I240-Y255 HydrophobicContact CD1-CG 4.39Å; I240-Y255 WeakPolarHBondContact CD1-O 3.41Å; I240-Y255 VanDerWaalsContact CG1-CB 3.42Å; I240-Y255 HydrophobicContact CG1-CG 4.2Å; I240-Q256 VanDerWaalsContact CD1-C 3.5Å; I240-Q256 WeakPolarHBondContact CD1-O 3.39Å
241Q50.6Low58.6Low17 Ų1769.5 Ų69.58%0.07934%0.34CS..Hα-helixtrans-72.9-23.2-176.5-67.4160.6-1400112.8N237 R238 H239 F244 M359N237-Q241 PolarHBondContact O-OE1 3.07Å; R238-Q241 PolarHBondContact O-N 2.77Å; H239-Q241 PolarHBondContact O-N 3.07Å; Q241-F244 PolarHBondContact O-N 2.79Å; Q241-M359 HydrophobicContact CG-CE 4.27Å
242Q46.3Very low56.1Low97 Ų9776.7 Ų76.745%0.45338%0.378SS..Hα-helixtrans-70.8-34.4173.5-157.6171.6-100111.5R238 H239 I240 F244 L245 D246R238-Q242 PolarHBondContact O-N 3.18Å; H239-Q242 PolarHBondContact O-N 2.83Å; I240-Q242 VanDerWaalsContact C-N 3.3Å; I240-Q242 PolarHBondContact O-N 2.86Å; Q242-F244 VanDerWaalsContact C-N 3.26Å; Q242-F244 PolarHBondContact O-N 3.42Å; Q242-L245 WeakPolarHBondContact O-CB 3.3Å; Q242-L245 PolarHBondContact O-N 2.78Å; Q242-D246 PolarHBondContact O-N 3.13Å
243R35.7Very low53.5Low126 Ų12679.4 Ų79.448%0.47540%0.397SS..Hα-helixtrans-70.2-19.4172.2-68.3-168.8-167.6162.24.2113.9I240 D246 E247I240-R243 PolarHBondContact O-N 2.98Å; R243-D246 CarbonylContact C-O 3.57Å; R243-D246 CarbonylContact O-C 3.42Å; R243-E247 PolarHBondContact O-N 3.25Å
244F40.4Very low50.9Low173 Ų17382.2 Ų82.276%0.75942%0.416SS*.Hα-helixtrans-73.2-21.6169.2-79.9-76.7000112.1I240 Q241 Q242I240-F244 HydrophobicContact CG2-CD2 4.43Å; I240-F244 HydrophobicContact CG2-CE2 4.01Å; I240-F244 WeakPolarHBondContact O-CD2 3.49Å; I240-F244 PolarHBondContact O-N 3.16Å; Q241-F244 PolarHBondContact O-N 2.79Å; Q242-F244 VanDerWaalsContact C-N 3.26Å; Q242-F244 PolarHBondContact O-N 3.42Å
245L41.9Very low48.9Very low85 Ų8588.6 Ų88.645%0.44544%0.441SS..Hα-helixtrans-81.4-43.3170.8-66.2166.2000110.9Q242 T361 I363Q242-L245 WeakPolarHBondContact O-CB 3.3Å; Q242-L245 PolarHBondContact O-N 2.78Å; L245-T361 HydrophobicContact CD2-CG2 4.47Å; L245-I363 HydrophobicContact CD2-CD1 4.18Å; L245-I363 HydrophobicContact CD2-CG1 4Å
246D38Very low47.4Very low117 Ų11791.1 Ų91.163%0.62645%0.452SS*.SBendtrans-106.788.2174-70.5-29.5000109.9Q242 R243Q242-D246 PolarHBondContact O-N 3.13Å; R243-D246 CarbonylContact C-O 3.57Å; R243-D246 CarbonylContact O-C 3.42Å
247E36.2Very low46.5Very low123 Ų12392.7 Ų92.758%0.57546%0.463SS*.  trans168.8139.3130.7-93-166141.700115.8R243 Q249R243-E247 PolarHBondContact O-N 3.25Å; E247-Q249 HydrophobicContact CB-CB 4.04Å; E247-Q249 HydrophobicContact CB-CG 4.28Å; E247-Q249 HydrophobicContact CG-CB 4.45Å; E247-Q249 HydrophobicContact CG-CG 4.28Å; E247-Q249 PolarHBondContact O-N 3.29Å; E247-Q249 VanDerWaalsContact O-N 3.11Å; E247-Q249 PolarHBondContact OE1-NE2 2.91Å; E247-Q249 WeakPolarHBondContact OE2-CB 3.45Å
248K31.8Very low46.4Very low222 Ų22292 Ų9297%0.96546%0.46SS*.SBendtrans-66.917.4157.1-101.7174.5176.9172.50113.8
249Q32.7Very low46.7Very low139 Ų13991.9 Ų91.965%0.6546%0.459SS*.  trans-111.783.8-174.7-60.9-147.751.300110.5E247 G251E247-Q249 HydrophobicContact CB-CB 4.04Å; E247-Q249 HydrophobicContact CB-CG 4.28Å; E247-Q249 HydrophobicContact CG-CB 4.45Å; E247-Q249 HydrophobicContact CG-CG 4.28Å; E247-Q249 PolarHBondContact O-N 3.29Å; E247-Q249 VanDerWaalsContact O-N 3.11Å; E247-Q249 PolarHBondContact OE1-NE2 2.91Å; E247-Q249 WeakPolarHBondContact OE2-CB 3.45Å; Q249-G251 PolarHBondContact O-N 3.15Å
250L30.5Very low47.6Very low164 Ų16487.7 Ų87.786%0.85944%0.44SS*.  trans-68.376.4172.2-169.573.5000109.9
251G31.5Very low49.2Very low57 Ų5787 Ų8759%0.58844%0.436SS*.  trans-114.3103.9158.900000107.3Q249 S253Q249-G251 PolarHBondContact O-N 3.15Å; G251-S253 PolarHBondContact O-N 3.33Å
252D36.1Very low50.7Low151 Ų15188 Ų8881%0.80744%0.444SS*.  trans-61.371.3175.1-76.1-33.3000110.4P254D252-P254 WeakPolarHBondContact O-CD 3.28Å
253S35Very low52.6Low61 Ų6184.6 Ų84.643%0.42743%0.429SS..  trans-78.7118.4169.363.80000107.6G251 Y255G251-S253 PolarHBondContact O-N 3.33Å; S253-Y255 PolarHBondContact O-N 3.38Å; S253-Y255 VanDerWaalsContact OG-CD2 3.25Å; S253-Y255 WeakPolarHBondContact OG-CD2 3.17Å; S253-Y255 WeakPolarHBondContact OG-CE2 3.39Å
254P38.5Very low55.2Low59 Ų5978.6 Ų78.638%0.38341%0.407SS..  trans-80.568.6-17433.6-34.8000109.8D252 F320D252-P254 WeakPolarHBondContact O-CD 3.28Å; P254-F320 HydrophobicContact CB-CD2 3.89Å; P254-F320 HydrophobicContact CB-CE2 3.51Å
255Y48.5Very low57.4Low139 Ų13970.4 Ų70.455%0.54537%0.371SS..  trans-77.3131.2168.3-72.5-82.9000108.9I240 S253 S257I240-Y255 HydrophobicContact CD1-CG 4.39Å; I240-Y255 WeakPolarHBondContact CD1-O 3.41Å; I240-Y255 VanDerWaalsContact CG1-CB 3.42Å; I240-Y255 HydrophobicContact CG1-CG 4.2Å; S253-Y255 PolarHBondContact O-N 3.38Å; S253-Y255 VanDerWaalsContact OG-CD2 3.25Å; S253-Y255 WeakPolarHBondContact OG-CD2 3.17Å; S253-Y255 WeakPolarHBondContact OG-CE2 3.39Å; Y255-S257 PolarHBondContact O-N 3.3Å; Y255-S257 VanDerWaalsContact O-N 3.1Å
256Q56.8Low59.1Low53 Ų5368.7 Ų68.725%0.24837%0.374CS..  trans-62.6110.1178.6-168.569.120.900110.5N237 I240 L258 I259N237-Q256 WeakPolarHBondContact CB-O 3.37Å; I240-Q256 VanDerWaalsContact CD1-C 3.5Å; I240-Q256 WeakPolarHBondContact CD1-O 3.39Å; Q256-L258 PolarHBondContact NE2-O 2.79Å; Q256-I259 HydrophobicContact CG-CD1 4.29Å; Q256-I259 HydrophobicContact CG-CG1 3.68Å
257S69.2Low61.2Low32 Ų3266 Ų6622%0.22437%0.374CS..  trans-83.6-28-179.361.30000113.3N237 Y255N237-S257 PolarHBondContact N-O 2.86Å; Y255-S257 PolarHBondContact O-N 3.3Å; Y255-S257 VanDerWaalsContact O-N 3.1Å
258L78.5Confident63.5Low0 Ų064.6 Ų64.60%037%0.37CS..EExtended strand (participates in β ladder)trans-142.7126.9-176.6174.761.4000111.8F234 L235 I236 Q256 V260 I357 L380F234-L258 HydrophobicContact CB-CD1 4.25Å; F234-L258 HydrophobicContact CD1-CD1 4.35Å; L235-L258 CarbonylContact O-C 3.57Å; L235-L258 WeakPolarHBondContact O-CA 3.27Å; I236-L258 HydrophobicContact CG1-CD1 4Å; Q256-L258 PolarHBondContact NE2-O 2.79Å; L258-V260 HydrophobicContact CD1-CG2 3.99Å; L258-V260 HydrophobicContact CD2-CG2 4.18Å; L258-V260 HydrophobicContact CG-CG2 3.99Å; L258-I357 HydrophobicContact CD1-CD1 3.72Å; L258-I357 HydrophobicContact CD2-CB 4.37Å; L258-I357 HydrophobicContact CD2-CD1 4.23Å; L258-I357 HydrophobicContact CD2-CG1 4.36Å; L258-L380 HydrophobicContact CB-CB 4.2Å; L258-L380 HydrophobicContact CD2-CB 3.67Å; L258-L380 WeakPolarHBondContact CD2-O 3.36Å
259I82.2Confident66.1Low6 Ų656.5 Ų56.53%0.03134%0.341CS..EExtended strand (participates in β ladder)trans-114.2138.8168-61.4172.7000108.3W223 L235 Q256 Y261 T311 M385W223-I259 HydrophobicContact CH2-CD1 3.63Å; W223-I259 HydrophobicContact CH2-CG1 4.18Å; W223-I259 HydrophobicContact CZ3-CD1 3.69Å; W223-I259 HydrophobicContact CZ3-CG1 4.02Å; L235-I259 HydrophobicContact CB-CB 4.18Å; L235-I259 PolarHBondContact N-O 3.37Å; L235-I259 PolarHBondContact O-N 2.87Å; Q256-I259 HydrophobicContact CG-CD1 4.29Å; Q256-I259 HydrophobicContact CG-CG1 3.68Å; I259-Y261 HydrophobicContact CG2-CE2 4.31Å; I259-T311 HydrophobicContact CD1-CG2 3.91Å; I259-M385 HydrophobicContact CD1-CE 4.33Å; I259-M385 HydrophobicContact CG2-CB 4.28Å; I259-M385 HydrophobicContact CG2-CG 3.47Å; I259-M385 VanDerWaalsContact CG2-CG 3.47Å
260V84.9Confident68.7Low2 Ų250.4 Ų50.41%0.01231%0.313CS..EExtended strand (participates in β ladder)trans-125.1126.3176.7179.30000110.2V233 F234 L258 P262 Q383 S384 M385V233-V260 WeakPolarHBondContact O-CA 3.27Å; F234-V260 HydrophobicContact CD1-CB 4.37Å; F234-V260 HydrophobicContact CD1-CG1 4.14Å; F234-V260 HydrophobicContact CD1-CG2 3.33Å; F234-V260 HydrophobicContact CE1-CG1 3.97Å; F234-V260 HydrophobicContact CE1-CG2 3.7Å; F234-V260 HydrophobicContact CG-CG2 4.15Å; F234-V260 HydrophobicContact CZ-CG1 4.32Å; L258-V260 HydrophobicContact CD1-CG2 3.99Å; L258-V260 HydrophobicContact CD2-CG2 4.18Å; L258-V260 HydrophobicContact CG-CG2 3.99Å; V260-P262 WeakPolarHBondContact O-CD 3.45Å; V260-Q383 PolarHBondContact N-O 3Å; V260-S384 WeakPolarHBondContact O-CA 3.25Å; V260-M385 PolarHBondContact O-N 3.16Å
261Y87.5Confident71.6Confident4 Ų443 Ų432%0.01628%0.276CS..EExtended strand (participates in β ladder)trans-88.7110.3160.3-68.4-87.9000107S232 V233 L235 I259 D263 V264 L294 W309 T311 M385S232-Y261 CarbonylContact C-O 3.53Å; S232-Y261 VanDerWaalsContact CA-O 3.24Å; S232-Y261 WeakPolarHBondContact CA-O 3.28Å; S232-Y261 WeakPolarHBondContact CB-O 3.32Å; V233-Y261 PolarHBondContact N-O 2.81Å; V233-Y261 PolarHBondContact O-N 2.61Å; L235-Y261 HydrophobicContact CD1-CD2 4.42Å; L235-Y261 HydrophobicContact CD1-CE2 3.75Å; L235-Y261 HydrophobicContact CG-CE2 4.33Å; I259-Y261 HydrophobicContact CG2-CE2 4.31Å; Y261-D263 VanDerWaalsContact C-N 3.32Å; Y261-D263 PolarHBondContact O-N 3.47Å; Y261-V264 HydrophobicContact CG-CG1 4.15Å; Y261-L294 HydrophobicContact CD2-CD2 4.16Å; Y261-L294 HydrophobicContact CE2-CD2 4.14Å; Y261-W309 HydrophobicContact CD1-CD2 4.37Å; Y261-W309 HydrophobicContact CD1-CE3 4.01Å; Y261-W309 HydrophobicContact CE1-CB 4.15Å; Y261-W309 HydrophobicContact CE1-CD2 4.35Å; Y261-W309 AromaticContact CE1-CE3 3.98Å; Y261-W309 HydrophobicContact CE1-CE3 3.98Å; Y261-W309 HydrophobicContact CE1-CG 4.43Å; Y261-T311 PolarHBondContact OH-OG1 2.95Å; Y261-M385 HydrophobicContact CD1-CB 3.94Å; Y261-M385 HydrophobicContact CE1-CB 3.52Å; Y261-M385 HydrophobicContact CE1-CG 4.24Å; Y261-M385 HydrophobicContact CE2-CB 4.48Å
262P82.8Confident74.6Confident38 Ų3840.2 Ų40.225%0.24725%0.248CC..SBendtrans-66.4-37.4-176.525.6-33.4000111.4S232 V260 R355S232-P262 WeakPolarHBondContact CA-O 3.3Å; S232-P262 WeakPolarHBondContact CB-O 3.29Å; V260-P262 WeakPolarHBondContact O-CD 3.45Å; P262-R355 VanDerWaalsContact C-NH1 3.27Å; P262-R355 PolarHBondContact O-NH1 2.8Å
263D87Confident77.3Confident26 Ų2634.9 Ų34.914%0.13922%0.222CC..  trans-150.2109.3178.4-172.9-0.3000110.8G231 Y261 S265 G267 L268 S269G231-D263 WeakPolarHBondContact O-CA 3.48Å; Y261-D263 VanDerWaalsContact C-N 3.32Å; Y261-D263 PolarHBondContact O-N 3.47Å; D263-S265 WeakPolarHBondContact OD1-CA 3.41Å; D263-S265 WeakPolarHBondContact OD1-CB 3.18Å; D263-S265 PolarHBondContact OD1-N 3.24Å; D263-S265 PolarHBondContact OD1-OG 2.66Å; D263-S265 PolarHBondContact OD2-OG 3.06Å; D263-G267 WeakPolarHBondContact OD2-CA 3.38Å; D263-G267 PolarHBondContact OD2-N 2.9Å; D263-G267 VanDerWaalsContact OD2-N 3.07Å; D263-L268 PolarHBondContact OD2-N 3.49Å; D263-S269 WeakPolarHBondContact OD2-CA 3.33Å; D263-S269 PolarHBondContact OD2-N 3.05Å; D263-S269 PolarHBondContact OD2-OG 3.33Å
264V89.5Confident80.2Confident0 Ų032.8 Ų32.80%021%0.208CC..THydrogen-bonded Turntrans-89.40.4175.5-60.40000113.3G231 V233 Y261 G266 V272 T296 R307 W309G231-V264 VanDerWaalsContact O-CG2 3.29Å; G231-V264 WeakPolarHBondContact O-CG2 3.43Å; G231-V264 PolarHBondContact O-N 3.35Å; V233-V264 HydrophobicContact CB-CG1 4.3Å; V233-V264 HydrophobicContact CG2-CB 4.48Å; V233-V264 HydrophobicContact CG2-CG1 3.83Å; V233-V264 HydrophobicContact CG2-CG2 3.81Å; Y261-V264 HydrophobicContact CG-CG1 4.15Å; V264-G266 VanDerWaalsContact C-N 3.28Å; V264-V272 HydrophobicContact CG2-CG2 3.58Å; V264-T296 HydrophobicContact CB-CG2 4.22Å; V264-T296 HydrophobicContact CG1-CG2 4.3Å; V264-T296 HydrophobicContact CG2-CG2 4.05Å; V264-R307 WeakPolarHBondContact O-CD 3.23Å; V264-W309 HydrophobicContact CB-CH2 4.3Å; V264-W309 HydrophobicContact CB-CZ2 3.51Å; V264-W309 HydrophobicContact CG1-CD2 4.39Å; V264-W309 HydrophobicContact CG1-CH2 4.44Å; V264-W309 HydrophobicContact CG1-CZ2 3.84Å; V264-W309 WeakPolarHBondContact O-CZ2 3.39Å
265S86.6Confident83Confident0 Ų030.7 Ų30.70%019%0.193CC..THydrogen-bonded Turntrans-885.3174.972.10000113.6D263 L268 S269 T270 D302 R307D263-S265 WeakPolarHBondContact OD1-CA 3.41Å; D263-S265 WeakPolarHBondContact OD1-CB 3.18Å; D263-S265 PolarHBondContact OD1-N 3.24Å; D263-S265 PolarHBondContact OD1-OG 2.66Å; D263-S265 PolarHBondContact OD2-OG 3.06Å; S265-L268 PolarHBondContact OG-N 2.92Å; S265-S269 WeakPolarHBondContact OG-CA 3.02Å; S265-S269 PolarHBondContact OG-N 2.86Å; S265-T270 WeakPolarHBondContact CB-OG1 3.05Å; S265-T270 PolarHBondContact OG-N 3.3Å; S265-T270 VanDerWaalsContact OG-N 3.08Å; S265-D302 VanDerWaalsContact CA-OD2 3.28Å; S265-D302 WeakPolarHBondContact CA-OD2 3.36Å; S265-R307 PolarHBondContact O-NH2 2.86Å
266G78.4Confident85.2Confident49 Ų4924.6 Ų24.651%0.50517%0.17SC..SBendtrans75.331.7179.100000113.8V264V264-G266 VanDerWaalsContact C-N 3.28Å
267G81.3Confident86.9Confident62 Ų6222.3 Ų22.364%0.63916%0.159SC*.SBendtrans98.52.3177.500000114.6D263D263-G267 WeakPolarHBondContact OD2-CA 3.38Å; D263-G267 PolarHBondContact OD2-N 2.9Å; D263-G267 VanDerWaalsContact OD2-N 3.07Å
268L84.8Confident87.8Confident93 Ų9321.1 Ų21.149%0.48715%0.151SC..SBendtrans-88.5-10.3179.3-63.2169.5000112.6D263 S265 T270 P301 D302D263-L268 PolarHBondContact OD2-N 3.49Å; S265-L268 PolarHBondContact OG-N 2.92Å; L268-T270 VanDerWaalsContact C-N 3.32Å; L268-T270 HydrophobicContact CB-CG2 3.8Å; L268-T270 PolarHBondContact O-N 2.82Å; L268-P301 HydrophobicContact CD1-CG 4.21Å; L268-D302 HydrophobicContact CD1-CB 3.72Å
269S85.8Confident87.9Confident51 Ų5125.1 Ų25.136%0.35717%0.17SC..  trans4553.3-174.8-59.60000112.5L207 S230 D263 S265L207-S269 WeakPolarHBondContact CD1-O 3.37Å; S230-S269 CarbonylContact O-C 3.52Å; S230-S269 WeakPolarHBondContact O-CA 3.32Å; D263-S269 WeakPolarHBondContact OD2-CA 3.33Å; D263-S269 PolarHBondContact OD2-N 3.05Å; D263-S269 PolarHBondContact OD2-OG 3.33Å; S265-S269 WeakPolarHBondContact OG-CA 3.02Å; S265-S269 PolarHBondContact OG-N 2.86Å
270T88.3Confident87Confident11 Ų1125.8 Ų25.87%0.06718%0.178CC..  trans-104.8146.5179.467.80000112.1G231 S265 L268 C298 D299 R300G231-T270 WeakPolarHBondContact CA-O 3.06Å; G231-T270 PolarHBondContact N-O 2.81Å; S265-T270 WeakPolarHBondContact CB-OG1 3.05Å; S265-T270 PolarHBondContact OG-N 3.3Å; S265-T270 VanDerWaalsContact OG-N 3.08Å; L268-T270 VanDerWaalsContact C-N 3.32Å; L268-T270 HydrophobicContact CB-CG2 3.8Å; L268-T270 PolarHBondContact O-N 2.82Å; T270-C298 VanDerWaalsContact OG1-CB 3.26Å; T270-C298 WeakPolarHBondContact OG1-CB 3.17Å; T270-D299 PolarHBondContact OG1-O 2.79Å; T270-R300 WeakPolarHBondContact CG2-O 3.36Å
271G91.5Very high85.4Confident8 Ų827.3 Ų27.38%0.08219%0.189CC..  trans-58140.6-174.200000114.6S228 D229 C273 C298 D299S228-G271 WeakPolarHBondContact O-CA 3.29Å; D229-G271 VanDerWaalsContact C-CA 3.43Å; D229-G271 WeakPolarHBondContact O-CA 3.31Å; D229-G271 PolarHBondContact O-N 2.87Å; G271-C273 PolarHBondContact O-N 3.35Å; G271-C298 CarbonylContact O-C 3.57Å; G271-C298 WeakPolarHBondContact O-CA 3.29Å; G271-D299 PolarHBondContact O-N 3.1Å
272V94.1Very high83.3Confident0 Ų033.3 Ų33.30%023%0.226CC..EExtended strand (participates in β ladder)trans-77.8116.1175.6-170.80000108.5T212 S228 V233 V264 M275T212-V272 VanDerWaalsContact CB-O 3.26Å; T212-V272 WeakPolarHBondContact CB-O 3.3Å; T212-V272 PolarHBondContact OG1-O 3.18Å; S228-V272 PolarHBondContact O-N 3.46Å; V233-V272 HydrophobicContact CG2-CG2 3.89Å; V264-V272 HydrophobicContact CG2-CG2 3.58Å; V272-M275 HydrophobicContact CG1-CB 4.21Å; V272-M275 HydrophobicContact CG1-SD 4.34Å
273C92.8Very high81Confident38 Ų3835.2 Ų35.226%0.25724%0.24SC..EExtended strand (participates in β ladder)trans-97.9-27.2-176.272.20000113.4G271 I297G271-C273 PolarHBondContact O-N 3.35Å; C273-I297 PolarHBondContact N-O 2.76Å; C273-I297 VanDerWaalsContact SG-CG2 3.55Å; C273-I297 PolarHBondContact SG-O 2.81Å
274S95.7Very high78.9Confident18 Ų1844.3 Ų44.313%0.12628%0.278CS..EExtended strand (participates in β ladder)trans-151.1139.9175-179.70000109.4I297 R432 C434S274-I297 PolarHBondContact N-O 3.32Å; S274-I297 PolarHBondContact O-N 2.89Å; S274-R432 WeakPolarHBondContact CB-O 3.4Å; S274-C434 PolarHBondContact OG-N 3.36Å
275M96Very high76.6Confident14 Ų1451.8 Ų51.87%0.06931%0.313CS..EExtended strand (participates in β ladder)trans-147.2152.4177.562.6-169-84.900110.8C213 T215 A225 G227 V233 V272 L294 A295C213-M275 HydrophobicContact CB-CG 4.29Å; C213-M275 HydrophobicContact CB-SD 4.45Å; C213-M275 VanDerWaalsContact SG-CG 3.56Å; C213-M275 PolarHBondContact SG-SD 3.17Å; T215-M275 HydrophobicContact CG2-CE 3.83Å; T215-M275 HydrophobicContact CG2-CG 3.99Å; A225-M275 VanDerWaalsContact C-CE 3.41Å; A225-M275 HydrophobicContact CB-CE 3.28Å; A225-M275 WeakPolarHBondContact O-CE 3.26Å; G227-M275 PolarHBondContact N-SD 2.98Å; V233-M275 HydrophobicContact CG1-CE 3.78Å; V272-M275 HydrophobicContact CG1-CB 4.21Å; V272-M275 HydrophobicContact CG1-SD 4.34Å; M275-L294 HydrophobicContact CE-CD1 4.12Å; M275-A295 VanDerWaalsContact CA-O 3.24Å; M275-A295 WeakPolarHBondContact CA-O 3.25Å
276T95Very high74.4Confident11 Ų1159.9 Ų59.97%0.06736%0.356CS..EExtended strand (participates in β ladder)trans-142.8142.6173.2-177.40000108.9A295 C434 F436 L469T276-A295 HydrophobicContact CG2-CB 3.78Å; T276-A295 PolarHBondContact N-O 3.33Å; T276-A295 PolarHBondContact O-N 2.85Å; T276-C434 HydrophobicContact CG2-CB 4.23Å; T276-F436 HydrophobicContact CG2-CD2 3.48Å; T276-F436 VanDerWaalsContact CG2-CD2 3.48Å; T276-F436 HydrophobicContact CG2-CE2 3.73Å; T276-F436 HydrophobicContact CG2-CG 4.26Å; T276-F436 WeakPolarHBondContact O-CE2 3.26Å; T276-F436 PolarHBondContact OG1-N 3.2Å; T276-L469 HydrophobicContact CG2-CD1 3.84Å
277F92.6Very high72.6Confident5 Ų563.4 Ų63.42%0.02236%0.363CS..EExtended strand (participates in β ladder)trans-120.5122.5-179.5-166.6-148.8000109.9T215 G217 G218 W223 A225 L235 P292 L293 L294T215-F277 HydrophobicContact CG2-CB 3.89Å; G217-F277 VanDerWaalsContact CA-CD1 3.42Å; G218-F277 VanDerWaalsContact N-CD1 3.33Å; W223-F277 HydrophobicContact CB-CD1 4.38Å; W223-F277 HydrophobicContact CB-CE1 3.74Å; W223-F277 HydrophobicContact CG-CE1 4.39Å; A225-F277 HydrophobicContact CB-CB 4.49Å; A225-F277 HydrophobicContact CB-CD1 4.41Å; L235-F277 HydrophobicContact CD1-CZ 4.2Å; F277-P292 HydrophobicContact CD2-CB 4.5Å; F277-P292 HydrophobicContact CE2-CB 3.66Å; F277-P292 HydrophobicContact CE2-CG 4.05Å; F277-P292 HydrophobicContact CZ-CB 3.76Å; F277-P292 HydrophobicContact CZ-CG 3.82Å; F277-L293 VanDerWaalsContact CD2-O 3.31Å; F277-L293 WeakPolarHBondContact CD2-O 3.24Å; F277-L294 HydrophobicContact CB-CD1 4.21Å; F277-L294 HydrophobicContact CD2-CB 3.82Å; F277-L294 HydrophobicContact CD2-CD1 4.13Å; F277-L294 HydrophobicContact CE2-CB 4.13Å; F277-L294 HydrophobicContact CG-CD1 4.41Å
278S88.8Confident71Confident8 Ų865.4 Ų65.46%0.05637%0.368CS..PPolyproline II helixtrans-74146.1-179.662.60000110.8G218 P292 L293G218-S278 PolarHBondContact N-O 3.42Å; S278-P292 WeakPolarHBondContact O-CB 3.49Å; S278-L293 WeakPolarHBondContact CB-O 3.38Å; S278-L293 PolarHBondContact N-O 2.9Å; S278-L293 WeakPolarHBondContact OG-CA 3.21Å; S278-L293 WeakPolarHBondContact OG-CB 3.4Å; S278-L293 PolarHBondContact OG-N 3.16Å; S278-L293 PolarHBondContact OG-O 2.89Å
279H79.8Confident69.4Low83 Ų8362.9 Ų62.938%0.38436%0.356SS..BIsolated β-bridgetrans-74139.6167.7-55.5-83.9000109.7H216 G218 S281 K438H216-H279 AromaticContact CD2-CE1 3.64Å; H216-H279 AromaticContact NE2-CE1 3.47Å; H216-H279 PolarHBondContact NE2-CE1 2.81Å; G218-H279 WeakPolarHBondContact O-CA 3.35Å; H279-S281 PolarHBondContact O-N 2.8Å; H279-K438 WeakPolarHBondContact O-CE 3.22Å; H279-K438 PolarHBondContact O-NZ 3.33Å
280G63.7Low68.4Low20 Ų2061.1 Ų61.121%0.20634%0.344CS..PPolyproline II helixtrans-49.4140.217600000113G218 S290 K438G218-G280 PolarHBondContact O-N 2.92Å; G280-S290 WeakPolarHBondContact CA-OG 3.39Å; G280-K438 PolarHBondContact O-NZ 3.07Å
281S51.6Low67.7Low35 Ų3563.1 Ų63.125%0.24535%0.351CS..PPolyproline II helixtrans-99121.816446.10000107.7H279 C283 H493H279-S281 PolarHBondContact O-N 2.8Å; S281-C283 PolarHBondContact O-N 2.84Å; S281-H493 PolarHBondContact OG-CE1 2.84Å; S281-H493 PolarHBondContact OG-NE2 2.91Å
282T42.6Very low67.4Low129 Ų12962.8 Ų62.879%0.79135%0.347SS*.PPolyproline II helixtrans-77116.1157.851.60000105.7
283C34.6Very low67.2Low79 Ų7962.9 Ų62.953%0.53435%0.347SS..PPolyproline II helixtrans-65.1151.8163.4-161.40000107.9S281 Q285S281-C283 PolarHBondContact O-N 2.84Å; C283-Q285 PolarHBondContact O-N 2.74Å; C283-Q285 VanDerWaalsContact O-N 3.13Å
284K43.3Very low67.2Low216 Ų21661.1 Ų61.194%0.93934%0.335SS*.SBendtrans-73.96.7-175.8-82.4-173.8174.1-178.90114.4
285Q41.3Very low67.2Low157 Ų15760.2 Ų60.273%0.73433%0.329SS*.SBendtrans-115.6146.7174.5-92171.4-27.400108.6C283 D287C283-Q285 PolarHBondContact O-N 2.74Å; C283-Q285 VanDerWaalsContact O-N 3.13Å; Q285-D287 PolarHBondContact O-N 2.9Å
286D41.2Very low67.2Low171 Ų17159.6 Ų59.691%0.91433%0.326SS*.SBendtrans-50.89.8-167.1-67.7-53.5000118.7S288D286-S288 PolarHBondContact O-N 2.9Å; D286-S288 VanDerWaalsContact O-N 3.12Å
287D40.6Very low67.2Low122 Ų12259 Ų5965%0.65232%0.323SS*.  trans-7896.5168.6-73.6-19.1000109.5Q285 T289Q285-D287 PolarHBondContact O-N 2.9Å; D287-T289 PolarHBondContact O-N 3.05Å
288S46.8Very low67.3Low104 Ų10458.9 Ų58.973%0.72732%0.322SS*.  trans-60.18.5172.557.40000114.6D286 S290 N314D286-S288 PolarHBondContact O-N 2.9Å; D286-S288 VanDerWaalsContact O-N 3.12Å; S288-S290 PolarHBondContact O-N 2.88Å; S288-N314 PolarHBondContact O-ND2 2.98Å
289T52.1Low67.4Low41 Ų4161.6 Ų61.625%0.25234%0.336SS..  trans-83.690.9-177.50.40000110.9D287 Y291 N314D287-T289 PolarHBondContact O-N 3.05Å; T289-Y291 HydrophobicContact CG2-CE2 4.09Å; T289-Y291 WeakPolarHBondContact O-CD2 3.39Å; T289-N314 WeakPolarHBondContact CA-ND2 3.26Å; T289-N314 HydrophobicContact CG2-CB 3.86Å
290S63.4Low67.6Low13 Ų1365.6 Ų65.69%0.09135%0.348CS..  trans-82122.2168167.20000109.8G280 S288 P292G280-S290 WeakPolarHBondContact CA-OG 3.39Å; S288-S290 PolarHBondContact O-N 2.88Å; S290-P292 WeakPolarHBondContact O-CD 3.45Å
291Y73.5Confident68.5Low54 Ų5468.8 Ų68.821%0.21237%0.365CS..  trans-105.583.8173.4-62.7-84.1000110.5T289 L293 N312 P494T289-Y291 HydrophobicContact CG2-CE2 4.09Å; T289-Y291 WeakPolarHBondContact O-CD2 3.39Å; Y291-L293 PolarHBondContact O-N 2.85Å; Y291-N312 HydrophobicContact CD1-CB 4.43Å; Y291-N312 HydrophobicContact CE1-CB 4.33Å; Y291-P494 HydrophobicContact CD2-CB 4.48Å; Y291-P494 HydrophobicContact CG-CB 4.21Å; Y291-P494 HydrophobicContact CG-CG 4.42Å
292P85.6Confident70.1Confident1 Ų167.5 Ų67.51%0.00636%0.355CS..  trans-66137.9171.831.6-38.1000110.4F277 S278 S290 T311 I313F277-P292 HydrophobicContact CD2-CB 4.5Å; F277-P292 HydrophobicContact CE2-CB 3.66Å; F277-P292 HydrophobicContact CE2-CG 4.05Å; F277-P292 HydrophobicContact CZ-CB 3.76Å; F277-P292 HydrophobicContact CZ-CG 3.82Å; S278-P292 WeakPolarHBondContact O-CB 3.49Å; S290-P292 WeakPolarHBondContact O-CD 3.45Å; P292-T311 VanDerWaalsContact CD-O 3.27Å; P292-T311 WeakPolarHBondContact CD-O 3.42Å; P292-T311 PolarHBondContact O-N 3.01Å; P292-I313 HydrophobicContact CG-CD1 3.51Å; P292-I313 HydrophobicContact CG-CG1 4.32Å
293L90.6Very high72.2Confident2 Ų262.6 Ų62.61%0.0132%0.322CS..EExtended strand (participates in β ladder)trans-97.8134.3176.1-54.9179.1000110.2F277 S278 Y291 V308 W309 C310 Y390 F436 V491 P494F277-L293 VanDerWaalsContact CD2-O 3.31Å; F277-L293 WeakPolarHBondContact CD2-O 3.24Å; S278-L293 WeakPolarHBondContact CB-O 3.38Å; S278-L293 PolarHBondContact N-O 2.9Å; S278-L293 WeakPolarHBondContact OG-CA 3.21Å; S278-L293 WeakPolarHBondContact OG-CB 3.4Å; S278-L293 PolarHBondContact OG-N 3.16Å; S278-L293 PolarHBondContact OG-O 2.89Å; Y291-L293 PolarHBondContact O-N 2.85Å; L293-V308 HydrophobicContact CB-CG1 3.98Å; L293-V308 HydrophobicContact CD1-CG1 4.34Å; L293-V308 HydrophobicContact CD2-CG1 4.41Å; L293-V308 HydrophobicContact CG-CG1 4.49Å; L293-W309 CarbonylContact C-O 3.43Å; L293-W309 VanDerWaalsContact CA-O 3.3Å; L293-W309 WeakPolarHBondContact CA-O 3.47Å; L293-C310 HydrophobicContact CD2-CB 4.05Å; L293-Y390 HydrophobicContact CD2-CD1 4.4Å; L293-F436 HydrophobicContact CB-CE1 4.23Å; L293-F436 HydrophobicContact CB-CE2 4.38Å; L293-F436 HydrophobicContact CB-CZ 3.69Å; L293-F436 WeakPolarHBondContact O-CE2 3.36Å; L293-V491 HydrophobicContact CD1-CB 4.47Å; L293-V491 HydrophobicContact CD1-CG1 3.46Å; L293-V491 VanDerWaalsContact CD1-CG1 3.46Å; L293-P494 HydrophobicContact CD2-CG 3.9Å
294L92.9Very high74.8Confident0 Ų060 Ų600%031%0.305CS..EExtended strand (participates in β ladder)trans-106.8127.1170.9172.672.8000108V233 L235 Y261 M275 F277 T296 V308 W309V233-L294 HydrophobicContact CB-CD2 4.4Å; V233-L294 HydrophobicContact CG1-CD2 3.87Å; L235-L294 HydrophobicContact CD2-CD2 4.48Å; Y261-L294 HydrophobicContact CD2-CD2 4.16Å; Y261-L294 HydrophobicContact CE2-CD2 4.14Å; M275-L294 HydrophobicContact CE-CD1 4.12Å; F277-L294 HydrophobicContact CB-CD1 4.21Å; F277-L294 HydrophobicContact CD2-CB 3.82Å; F277-L294 HydrophobicContact CD2-CD1 4.13Å; F277-L294 HydrophobicContact CE2-CB 4.13Å; F277-L294 HydrophobicContact CG-CD1 4.41Å; L294-T296 HydrophobicContact CD1-CG2 4.45Å; L294-T296 HydrophobicContact CD2-CG2 3.99Å; L294-T296 HydrophobicContact CG-CG2 3.92Å; L294-V308 CarbonylContact O-C 3.37Å; L294-V308 VanDerWaalsContact O-CA 3.32Å; L294-V308 WeakPolarHBondContact O-CA 3.42Å; L294-W309 HydrophobicContact CB-CB 4.26Å; L294-W309 PolarHBondContact N-O 2.78Å; L294-W309 PolarHBondContact O-N 3.35Å
295A95Very high77.1Confident0 Ų050.9 Ų50.90%027%0.267CS..EExtended strand (participates in β ladder)trans-108.3137.6171.200000110M275 T276 R307 V308 F436 L469M275-A295 VanDerWaalsContact CA-O 3.24Å; M275-A295 WeakPolarHBondContact CA-O 3.25Å; T276-A295 HydrophobicContact CG2-CB 3.78Å; T276-A295 PolarHBondContact N-O 3.33Å; T276-A295 PolarHBondContact O-N 2.85Å; A295-R307 CarbonylContact C-O 3.22Å; A295-R307 VanDerWaalsContact CA-O 3.3Å; A295-R307 WeakPolarHBondContact CA-O 3.36Å; A295-V308 HydrophobicContact CB-CG2 4.25Å; A295-F436 HydrophobicContact CB-CE2 3.92Å; A295-F436 HydrophobicContact CB-CZ 3.85Å; A295-L469 HydrophobicContact CB-CD1 3.89Å; A295-L469 HydrophobicContact CB-CD2 3.75Å
296T95.9Very high79.6Confident0 Ų043.4 Ų43.40%023%0.232CC..EExtended strand (participates in β ladder)trans-134.5139.2-17561.20000111.3V233 V264 L294 R307 W309V233-T296 HydrophobicContact CG2-CG2 4.29Å; V264-T296 HydrophobicContact CB-CG2 4.22Å; V264-T296 HydrophobicContact CG1-CG2 4.3Å; V264-T296 HydrophobicContact CG2-CG2 4.05Å; L294-T296 HydrophobicContact CD1-CG2 4.45Å; L294-T296 HydrophobicContact CD2-CG2 3.99Å; L294-T296 HydrophobicContact CG-CG2 3.92Å; T296-R307 PolarHBondContact N-O 2.6Å; T296-R307 PolarHBondContact O-N 2.94Å; T296-R307 VanDerWaalsContact O-N 3.15Å; T296-W309 PolarHBondContact OG1-NE1 2.61Å
297I95.9Very high82.1Confident0 Ų036.5 Ų36.50%019%0.193CC..EExtended strand (participates in β ladder)trans-122.1127.2169.3-57.3164.7000107.4C273 S274 L306 F431 C434C273-I297 PolarHBondContact N-O 2.76Å; C273-I297 VanDerWaalsContact SG-CG2 3.55Å; C273-I297 PolarHBondContact SG-O 2.81Å; S274-I297 PolarHBondContact N-O 3.32Å; S274-I297 PolarHBondContact O-N 2.89Å; I297-L306 HydrophobicContact CD1-CD1 4.12Å; I297-L306 HydrophobicContact CG1-CD1 3.52Å; I297-F431 HydrophobicContact CD1-CB 3.75Å; I297-F431 HydrophobicContact CG1-CB 3.98Å; I297-F431 HydrophobicContact CG2-CB 3.77Å; I297-C434 HydrophobicContact CD1-CB 3.73Å; I297-C434 HydrophobicContact CG1-CB 4.41Å
298C93.8Very high84.6Confident1 Ų130.7 Ų30.71%0.00716%0.162CC..EExtended strand (participates in β ladder)trans-105163.6-179.7-55.20000111.8T270 G271 D302 W303T270-C298 VanDerWaalsContact OG1-CB 3.26Å; T270-C298 WeakPolarHBondContact OG1-CB 3.17Å; G271-C298 CarbonylContact O-C 3.57Å; G271-C298 WeakPolarHBondContact O-CA 3.29Å; C298-D302 HydrophobicContact CB-CB 4.3Å; C298-W303 WeakPolarHBondContact O-CA 3.38Å; C298-W303 WeakPolarHBondContact O-CB 3.47Å; C298-W303 PolarHBondContact O-N 2.89Å
299D90.6Very high86.7Confident65 Ų6526 Ų2635%0.34813%0.128SC..  trans-75.3-177.3175.5-85.1-39.6000111.8T270 G271 D302 W303T270-D299 PolarHBondContact OG1-O 2.79Å; G271-D299 PolarHBondContact O-N 3.1Å; D299-D302 PolarHBondContact O-N 2.79Å; D299-W303 PolarHBondContact O-N 3.15Å
300R85.5Confident88.3Confident168 Ų16825.2 Ų25.263%0.63413%0.125SC*.THydrogen-bonded Turntrans-51.4142.7177.5-77.5-173.5171.6140.83.3111.8T270 W303T270-R300 WeakPolarHBondContact CG2-O 3.36Å; R300-W303 HydrophobicContact CB-CE3 4.41Å; R300-W303 HydrophobicContact CG-CD2 3.54Å; R300-W303 HydrophobicContact CG-CE3 3.27Å; R300-W303 HydrophobicContact CG-CG 4.44Å; R300-W303 HydrophobicContact CG-CH2 3.61Å; R300-W303 HydrophobicContact CG-CZ2 3.67Å; R300-W303 HydrophobicContact CG-CZ3 3.33Å; R300-W303 VanDerWaalsContact NE-CZ2 3.27Å
301P81.9Confident89Confident87 Ų8724.6 Ų24.657%0.56512%0.12SC*.THydrogen-bonded Turncis-83.90.6-2.630.1-35.5000115.8L268L268-P301 HydrophobicContact CD1-CG 4.21Å
302D85Confident88.9Confident7 Ų723.4 Ų23.44%0.03712%0.117CC..SBendtrans-91.4-3.1-165.2-171.645.1000115.8S265 L268 C298 D299 S304 T305 R307S265-D302 VanDerWaalsContact CA-OD2 3.28Å; S265-D302 WeakPolarHBondContact CA-OD2 3.36Å; L268-D302 HydrophobicContact CD1-CB 3.72Å; C298-D302 HydrophobicContact CB-CB 4.3Å; D299-D302 PolarHBondContact O-N 2.79Å; D302-S304 PolarHBondContact O-N 2.93Å; D302-T305 PolarHBondContact O-N 2.86Å; D302-R307 IonicContact OD1-CZ 3.37Å; D302-R307 IonicContact OD1-NH1 3.26Å; D302-R307 PolarHBondContact OD1-NH1 3.05Å; D302-R307 IonicContact OD1-NH2 3.97Å; D302-R307 PolarHBondContact OD1-NH2 3.09Å; D302-R307 IonicContact OD2-CZ 2.68Å; D302-R307 IonicContact OD2-NH1 3.98Å; D302-R307 PolarHBondContact OD2-NH1 2.97Å; D302-R307 IonicContact OD2-NH2 2.61Å
303W87.2Confident87.9Confident27 Ų2725 Ų2510%0.10213%0.125CC..THydrogen-bonded Turntrans-52.4-10.2-179.961.70.3000118.8C298 D299 R300 T305 R430 F431 L476C298-W303 WeakPolarHBondContact O-CA 3.38Å; C298-W303 WeakPolarHBondContact O-CB 3.47Å; C298-W303 PolarHBondContact O-N 2.89Å; D299-W303 PolarHBondContact O-N 3.15Å; R300-W303 HydrophobicContact CB-CE3 4.41Å; R300-W303 HydrophobicContact CG-CD2 3.54Å; R300-W303 HydrophobicContact CG-CE3 3.27Å; R300-W303 HydrophobicContact CG-CG 4.44Å; R300-W303 HydrophobicContact CG-CH2 3.61Å; R300-W303 HydrophobicContact CG-CZ2 3.67Å; R300-W303 HydrophobicContact CG-CZ3 3.33Å; R300-W303 VanDerWaalsContact NE-CZ2 3.27Å; W303-T305 VanDerWaalsContact C-N 3.3Å; W303-R430 HydrophobicContact CB-CB 4.01Å; W303-R430 HydrophobicContact CD2-CB 4.14Å; W303-R430 HydrophobicContact CE3-CB 4.44Å; W303-R430 HydrophobicContact CG-CB 3.97Å; W303-R430 WeakPolarHBondContact O-CA 3.16Å; W303-R430 WeakPolarHBondContact O-CB 3.31Å; W303-F431 PolarHBondContact O-N 2.85Å; W303-L476 HydrophobicContact CD2-CD2 4Å; W303-L476 HydrophobicContact CE3-CD2 4.1Å; W303-L476 HydrophobicContact CH2-CB 4.34Å; W303-L476 HydrophobicContact CH2-CD1 3.84Å; W303-L476 HydrophobicContact CH2-CD2 3.19Å; W303-L476 HydrophobicContact CH2-CG 3.93Å; W303-L476 HydrophobicContact CZ2-CD1 3.32Å; W303-L476 HydrophobicContact CZ2-CD2 3.29Å; W303-L476 HydrophobicContact CZ2-CG 3.84Å; W303-L476 HydrophobicContact CZ3-CD2 3.71Å
304S89.5Confident86.3Confident24 Ų2428.3 Ų28.317%0.16814%0.144CC..THydrogen-bonded Turntrans-86-9.7177.255.50000111.9D302 S394 C395 S427 F431D302-S304 PolarHBondContact O-N 2.93Å; S304-S394 WeakPolarHBondContact O-CA 3.31Å; S304-C395 PolarHBondContact O-N 3Å; S304-S427 WeakPolarHBondContact CB-OG 3.04Å; S304-F431 VanDerWaalsContact O-CE2 3.29Å; S304-F431 WeakPolarHBondContact O-CE2 3.27Å
305T91.4Very high84Confident24 Ų2432.7 Ų32.715%0.14717%0.167CC..EExtended strand (participates in β ladder)trans-116.4130.7-174.1-46.60000109.6D302 W303 R307 A393D302-T305 PolarHBondContact O-N 2.86Å; W303-T305 VanDerWaalsContact C-N 3.3Å; T305-R307 HydrophobicContact CG2-CG 4.18Å; T305-A393 CarbonylContact C-O 3.6Å; T305-A393 WeakPolarHBondContact CA-O 3.24Å
306L94Very high81.4Confident0 Ų039.1 Ų39.10%019%0.192CC..EExtended strand (participates in β ladder)trans-103.4130.1168.5172.273.2000107.5I297 I392 A393 F431 C434 L469 T471 L516I297-L306 HydrophobicContact CD1-CD1 4.12Å; I297-L306 HydrophobicContact CG1-CD1 3.52Å; L306-I392 CarbonylContact O-C 3.53Å; L306-I392 VanDerWaalsContact O-CA 3.29Å; L306-I392 WeakPolarHBondContact O-CA 3.39Å; L306-A393 HydrophobicContact CB-CB 4.2Å; L306-A393 HydrophobicContact CD2-CB 4.19Å; L306-A393 PolarHBondContact N-O 2.73Å; L306-A393 PolarHBondContact O-N 3.09Å; L306-F431 HydrophobicContact CB-CD1 4.41Å; L306-F431 HydrophobicContact CB-CD2 3.87Å; L306-F431 HydrophobicContact CB-CE1 4.34Å; L306-F431 HydrophobicContact CB-CE2 3.78Å; L306-F431 HydrophobicContact CB-CG 4.19Å; L306-F431 HydrophobicContact CB-CZ 4.04Å; L306-F431 HydrophobicContact CD2-CE1 4.42Å; L306-C434 HydrophobicContact CD1-CB 4.25Å; L306-L469 HydrophobicContact CD1-CD2 4.34Å; L306-L469 HydrophobicContact CD2-CD2 3.65Å; L306-L469 HydrophobicContact CD2-CG 4.49Å; L306-L469 HydrophobicContact CG-CD2 4.26Å; L306-T471 HydrophobicContact CD1-CG2 4.35Å; L306-T471 HydrophobicContact CD2-CG2 3.66Å; L306-L516 HydrophobicContact CD2-CD1 4.23Å
307R93.2Very high78.1Confident27 Ų2743.4 Ų43.410%0.10222%0.22CC..EExtended strand (participates in β ladder)trans-116.8141.4177.5-66.2-176.6-177.270.8-5.4110.7V264 S265 A295 T296 D302 T305 W309 P389 I392V264-R307 WeakPolarHBondContact O-CD 3.23Å; S265-R307 PolarHBondContact O-NH2 2.86Å; A295-R307 CarbonylContact C-O 3.22Å; A295-R307 VanDerWaalsContact CA-O 3.3Å; A295-R307 WeakPolarHBondContact CA-O 3.36Å; T296-R307 PolarHBondContact N-O 2.6Å; T296-R307 PolarHBondContact O-N 2.94Å; T296-R307 VanDerWaalsContact O-N 3.15Å; D302-R307 IonicContact OD1-CZ 3.37Å; D302-R307 IonicContact OD1-NH1 3.26Å; D302-R307 PolarHBondContact OD1-NH1 3.05Å; D302-R307 IonicContact OD1-NH2 3.97Å; D302-R307 PolarHBondContact OD1-NH2 3.09Å; D302-R307 IonicContact OD2-CZ 2.68Å; D302-R307 IonicContact OD2-NH1 3.98Å; D302-R307 PolarHBondContact OD2-NH1 2.97Å; D302-R307 IonicContact OD2-NH2 2.61Å; T305-R307 HydrophobicContact CG2-CG 4.18Å; R307-W309 HydrophobicContact CB-CZ2 3.92Å; R307-W309 HydrophobicContact CG-CZ2 4.37Å; R307-P389 HydrophobicContact CB-CB 4.04Å; R307-P389 HydrophobicContact CG-CB 4.17Å; R307-P389 HydrophobicContact CG-CG 4.31Å; R307-I392 HydrophobicContact CG-CG2 3.98Å
308V92.8Very high74.7Confident0 Ų053.1 Ų53.10%026%0.262CS..EExtended strand (participates in β ladder)trans-117128.3171.9-1770000107.7L293 L294 A295 Y390 A391 L469 V491 L516L293-V308 HydrophobicContact CB-CG1 3.98Å; L293-V308 HydrophobicContact CD1-CG1 4.34Å; L293-V308 HydrophobicContact CD2-CG1 4.41Å; L293-V308 HydrophobicContact CG-CG1 4.49Å; L294-V308 CarbonylContact O-C 3.37Å; L294-V308 VanDerWaalsContact O-CA 3.32Å; L294-V308 WeakPolarHBondContact O-CA 3.42Å; A295-V308 HydrophobicContact CB-CG2 4.25Å; V308-Y390 HydrophobicContact CG1-CD1 4.41Å; V308-Y390 WeakPolarHBondContact O-CA 3.24Å; V308-Y390 WeakPolarHBondContact O-CB 3.42Å; V308-Y390 PolarHBondContact O-N 3Å; V308-A391 HydrophobicContact CB-CB 4.17Å; V308-A391 PolarHBondContact N-O 2.87Å; V308-A391 PolarHBondContact O-N 3.36Å; V308-L469 HydrophobicContact CG2-CD2 3.84Å; V308-V491 HydrophobicContact CG1-CG1 4.33Å; V308-L516 HydrophobicContact CG2-CD1 3.94Å
309W90.9Very high71.3Confident4 Ų457.8 Ų57.82%0.01529%0.294CS..EExtended strand (participates in β ladder)trans-111.2135.7-179.1-47.784.8000108.2Y261 V264 L293 L294 T296 R307 P389Y261-W309 HydrophobicContact CD1-CD2 4.37Å; Y261-W309 HydrophobicContact CD1-CE3 4.01Å; Y261-W309 HydrophobicContact CE1-CB 4.15Å; Y261-W309 HydrophobicContact CE1-CD2 4.35Å; Y261-W309 AromaticContact CE1-CE3 3.98Å; Y261-W309 HydrophobicContact CE1-CE3 3.98Å; Y261-W309 HydrophobicContact CE1-CG 4.43Å; V264-W309 HydrophobicContact CB-CH2 4.3Å; V264-W309 HydrophobicContact CB-CZ2 3.51Å; V264-W309 HydrophobicContact CG1-CD2 4.39Å; V264-W309 HydrophobicContact CG1-CH2 4.44Å; V264-W309 HydrophobicContact CG1-CZ2 3.84Å; V264-W309 WeakPolarHBondContact O-CZ2 3.39Å; L293-W309 CarbonylContact C-O 3.43Å; L293-W309 VanDerWaalsContact CA-O 3.3Å; L293-W309 WeakPolarHBondContact CA-O 3.47Å; L294-W309 HydrophobicContact CB-CB 4.26Å; L294-W309 PolarHBondContact N-O 2.78Å; L294-W309 PolarHBondContact O-N 3.35Å; T296-W309 PolarHBondContact OG1-NE1 2.61Å; R307-W309 HydrophobicContact CB-CZ2 3.92Å; R307-W309 HydrophobicContact CG-CZ2 4.37Å; W309-P389 HydrophobicContact CD2-CB 4.37Å; W309-P389 HydrophobicContact CE3-CB 4.24Å; W309-P389 HydrophobicContact CH2-CB 4.17Å; W309-P389 HydrophobicContact CZ2-CB 4.27Å; W309-P389 HydrophobicContact CZ3-CB 4.16Å
310C85.7Confident68.2Low26 Ų2662.2 Ų62.218%0.17631%0.311CS..EExtended strand (participates in β ladder)trans-93.2117171.6-178.20000108.2L293 Y390L293-C310 HydrophobicContact CD2-CB 4.05Å; C310-Y390 HydrophobicContact CB-CD2 4.39Å; C310-Y390 HydrophobicContact CB-CG 4.1Å
311T78.5Confident65.2Low0 Ų062.2 Ų62.20%032%0.322CS..  trans-95.6110.7176.9-53.70000108.6L235 I259 Y261 P292 I313L235-T311 HydrophobicContact CD1-CG2 3.77Å; I259-T311 HydrophobicContact CD1-CG2 3.91Å; Y261-T311 PolarHBondContact OH-OG1 2.95Å; P292-T311 VanDerWaalsContact CD-O 3.27Å; P292-T311 WeakPolarHBondContact CD-O 3.42Å; P292-T311 PolarHBondContact O-N 3.01Å; T311-I313 HydrophobicContact CG2-CG1 4.13Å
312N71.2Confident62.3Low28 Ų2866 Ų6615%0.1533%0.33CS..  trans-87.1112.4174.6-167.7-24.1000109.9Y291 N314 L315 M385Y291-N312 HydrophobicContact CD1-CB 4.43Å; Y291-N312 HydrophobicContact CE1-CB 4.33Å; N312-N314 PolarHBondContact OD1-N 2.73Å; N312-L315 HydrophobicContact CB-CB 4.48Å; N312-L315 WeakPolarHBondContact ND2-CD1 3.29Å; N312-L315 PolarHBondContact OD1-N 2.83Å; N312-M385 VanDerWaalsContact O-CE 3.28Å; N312-M385 WeakPolarHBondContact O-CE 3.3Å
313I65.1Low59.5Low34 Ų3473.4 Ų73.417%0.17437%0.369CS..SBendtrans-92.4-21.5-176.8-67.2169.2000112P219 W223 P292 T311P219-I313 HydrophobicContact CG-CD1 3.38Å; W223-I313 HydrophobicContact CD2-CD1 4.45Å; W223-I313 HydrophobicContact CH2-CG1 4.29Å; W223-I313 HydrophobicContact CZ2-CD1 3.88Å; W223-I313 HydrophobicContact CZ2-CG1 3.94Å; W223-I313 HydrophobicContact CZ2-CG2 3.77Å; P292-I313 HydrophobicContact CG-CD1 3.51Å; P292-I313 HydrophobicContact CG-CG1 4.32Å; T311-I313 HydrophobicContact CG2-CG1 4.13Å
314N56.8Low56.7Low73 Ų7377.1 Ų77.139%0.3939%0.391SS..SBendtrans-94.6-16.2-175.4-70.91.7000113.4S288 T289 N312S288-N314 PolarHBondContact O-ND2 2.98Å; T289-N314 WeakPolarHBondContact CA-ND2 3.26Å; T289-N314 HydrophobicContact CG2-CB 3.86Å; N312-N314 PolarHBondContact OD1-N 2.73Å
315L43.2Very low53.6Low92 Ų9283.2 Ų83.248%0.48242%0.422SS..SBendtrans-72.8133.8168.8-100.367.5000108.8N312N312-L315 HydrophobicContact CB-CB 4.48Å; N312-L315 WeakPolarHBondContact ND2-CD1 3.29Å; N312-L315 PolarHBondContact OD1-N 2.83Å
316Y40.3Very low50.5Low134 Ų13489 Ų8953%0.52545%0.451SS..  trans88.386.1176.8-48.4-72.1000117.6
317P28.5Very low47.3Very low91 Ų9197.2 Ų97.259%0.59149%0.486SS*.  trans-112.45.9148.412.76.1000114.3
318K24.4Very low44Very low203 Ų203101.2 Ų101.288%0.88352%0.518SS*.  trans-11315.5-155.9-91.4-173.2178.41800120.1
319S22Very low40.7Very low99 Ų99108.2 Ų108.269%0.69255%0.554SS**  trans-141.882.2172.860.70000113.1
320F25.3Very low37.4Very low159 Ų159119.8 Ų119.870%0.69760%0.598SS**  trans-106124.9151.2-79.9-84.4000108.4P254 F322P254-F320 HydrophobicContact CB-CD2 3.89Å; P254-F320 HydrophobicContact CB-CE2 3.51Å; F320-F322 PolarHBondContact O-N 2.98Å
321L21.8Very low34.4Very low167 Ų167122.7 Ų122.787%0.87462%0.618SS**  trans-64.6118158.9-70.5168.8000106.3L323L321-L323 PolarHBondContact O-N 2.94Å; L321-L323 VanDerWaalsContact O-N 3.14Å
322F22.4Very low31.9Very low166 Ų166129 Ų12973%0.72866%0.657SS**  trans-58.3116.5178-79.4-91.5000109.6F320 N324F320-F322 PolarHBondContact O-N 2.98Å; F322-N324 PolarHBondContact O-N 2.97Å
323L26.1Very low29.7Very low163 Ų163135.9 Ų135.985%0.85369%0.693SS**G310 helixtrans-682170.9-148.983.2000112.5L321 D325L321-L323 PolarHBondContact O-N 2.94Å; L321-L323 VanDerWaalsContact O-N 3.14Å; L323-D325 VanDerWaalsContact C-N 3.3Å; L323-D325 PolarHBondContact O-N 3.06Å
324N26.7Very low27.8Very low106 Ų106141.2 Ų141.257%0.56772%0.722SS**G310 helixtrans-78-6.8-180-84.5-18000114.4F322 I326 K327F322-N324 PolarHBondContact O-N 2.97Å; N324-I326 PolarHBondContact O-N 2.72Å; N324-I326 VanDerWaalsContact O-N 3.15Å; N324-K327 PolarHBondContact O-N 3.18Å
325D25.5Very low26.2Very low151 Ų151142.7 Ų142.781%0.80774%0.738SS**G310 helixtrans-75.65.4176.5-82.2-10.6000114.9L323L323-D325 VanDerWaalsContact C-N 3.3Å; L323-D325 PolarHBondContact O-N 3.06Å
326I27.1Very low25.3Very low147 Ų147147 Ų14775%0.75476%0.755SS**G310 helixtrans-111.30.2173.1-56.1-177.7000113.1N324 S328N324-I326 PolarHBondContact O-N 2.72Å; N324-I326 VanDerWaalsContact O-N 3.15Å; I326-S328 PolarHBondContact O-N 3.38Å; I326-S328 VanDerWaalsContact O-N 3.14Å
327K25.3Very low24.6Very low172 Ų172149.2 Ų149.275%0.74877%0.77SS**THydrogen-bonded Turntrans-80.613.3179-92-179178.71720115.8N324N324-K327 PolarHBondContact O-N 3.18Å
328S23.5Very low24.3Very low111 Ų111153 Ų15378%0.77678%0.78SS**THydrogen-bonded Turntrans-92.114.7178-174.50000115.3I326I326-S328 PolarHBondContact O-N 3.38Å; I326-S328 VanDerWaalsContact O-N 3.14Å
329I23.5Very low24.1Very low146 Ų146152.1 Ų152.175%0.74978%0.784SS**  trans-116.567.9168.2-49.1179.4000108.9S331I329-S331 PolarHBondContact O-N 2.98Å
330R22.5Very low24.2Very low247 Ų247151.8 Ų151.893%0.93278%0.778SS**  trans-65.299.8148.5-83-178.7174.8-179.2-1.1107
331S23.8Very low24.1Very low87 Ų87153.8 Ų153.861%0.60879%0.786SS**  trans-143.1102.3153.163.40000109.1I329 L333I329-S331 PolarHBondContact O-N 2.98Å; S331-L333 PolarHBondContact O-N 2.72Å
332T24.1Very low24.1Very low134 Ų134152.7 Ų152.782%0.82278%0.78SS**  trans-34.7111.7156.947.20000111.8
333L25.3Very low24.1Very low171 Ų171154 Ų15490%0.89579%0.785SS**  trans-141.9126.9159.4-143.277000110.3S331S331-L333 PolarHBondContact O-N 2.72Å
334N25Very low23.9Very low147 Ų147151.3 Ų151.379%0.78678%0.776SS**  trans-68.8154.5-169-70.1-39.5000113.7
335S23.2Very low23.7Very low103 Ų103153.7 Ų153.772%0.7279%0.789SS**SBendtrans25.9122.1143.263.90000119.8
336H24.4Very low23.6Very low182 Ų182152.2 Ų152.284%0.84379%0.785SS**  trans68.8131.8145.4-83.2-1.9000118.6
337Q25.5Very low23.6Very low181 Ų181150 Ų15085%0.84678%0.783SS**  trans7087.6166.3-58.5175.6-12.800115.6
338Q22.5Very low23.6Very low172 Ų172150.8 Ų150.880%0.80479%0.787SS**  -178.3104116.9-103.2174.33.500109.2V340Q338-V340 HydrophobicContact CB-CG2 3.95Å; Q338-V340 HydrophobicContact CG-CG2 4.17Å; Q338-V340 PolarHBondContact O-N 2.83Å
339L21.6Very low23.7Very low184 Ų184155.6 Ų155.696%0.96379%0.788SS**  trans-69.458.2164.4-160.897000108.9K341L339-K341 PolarHBondContact O-N 3.07Å
340V24.1Very low24Very low92 Ų92155 Ų15556%0.55879%0.786SS**  trans-81.1115.5171.1171.50000105.9Q338 L342Q338-V340 HydrophobicContact CB-CG2 3.95Å; Q338-V340 HydrophobicContact CG-CG2 4.17Å; Q338-V340 PolarHBondContact O-N 2.83Å; V340-L342 PolarHBondContact O-N 3.29Å
341K22.3Very low24.5Very low200 Ų200148.3 Ų148.387%0.8778%0.777SS**  trans-43.879.6169.2-77.5168.4166.6168.80111.1L339 K343L339-K341 PolarHBondContact O-N 3.07Å; K341-K343 PolarHBondContact O-N 2.87Å
342L21.6Very low25.2Very low145 Ų145146.5 Ų146.576%0.75977%0.765SS**  trans-75.494.8157.2-108.488.5000105.3V340 T344V340-L342 PolarHBondContact O-N 3.29Å; L342-T344 PolarHBondContact O-N 3.35Å
343K21.7Very low26Very low192 Ų192145.8 Ų145.884%0.83576%0.756SS**  trans-50.778.2158.3-156176.5-170.6-179.50106.1K341 N345K341-K343 PolarHBondContact O-N 2.87Å; K343-N345 PolarHBondContact O-N 2.95Å
344T23.1Very low27.1Very low107 Ų107143.5 Ų143.566%0.65674%0.74SS**  trans-56.6116.2173.641.70000104.2L342 T346L342-T344 PolarHBondContact O-N 3.35Å; T344-T346 PolarHBondContact O-N 3.45Å
345N22Very low28.8Very low157 Ų157138.7 Ų138.784%0.8471%0.711SS**  trans-56.981.6165.7-70.4-38.2000106.2K343 S347K343-N345 PolarHBondContact O-N 2.95Å; N345-S347 PolarHBondContact O-N 2.87Å
346T24.3Very low30.9Very low119 Ų119133.9 Ų133.973%0.7368%0.678SS**  trans-56.786.3144.438.50000102.9T344 K348T344-T346 PolarHBondContact O-N 3.45Å; T346-K348 VanDerWaalsContact C-N 3.33Å; T346-K348 PolarHBondContact O-N 2.86Å
347S26.4Very low33.1Very low102 Ų102125.2 Ų125.271%0.71364%0.638SS**  trans-41.5115.1156.4177.90000103.4N345 R349N345-S347 PolarHBondContact O-N 2.87Å; S347-R349 PolarHBondContact O-N 3.28Å
348K25.2Very low35.6Very low188 Ų188121.7 Ų121.782%0.81762%0.617SS**  trans-61.969.4175.2-71.7175.1173.8179.50106.6T346 N350T346-K348 VanDerWaalsContact C-N 3.33Å; T346-K348 PolarHBondContact O-N 2.86Å; K348-N350 PolarHBondContact O-N 3.02Å
349R26.6Very low38.4Very low211 Ų211113.7 Ų113.780%0.79658%0.58SS**  trans-66.7102.5154.1-133.2-178.4-164.4179.34.5101.2S347 S351S347-R349 PolarHBondContact O-N 3.28Å; R349-S351 VanDerWaalsContact C-N 3.32Å; R349-S351 PolarHBondContact O-N 2.75Å
350N28.3Very low41.1Very low134 Ų134107.4 Ų107.472%0.71755%0.545SS*.  trans-48.8102.5-179-69-27.9000107.2K348 S352K348-N350 PolarHBondContact O-N 3.02Å; N350-S352 PolarHBondContact O-N 2.84Å
351S34.4Very low43.6Very low106 Ų106103.6 Ų103.674%0.74152%0.521SS*.THydrogen-bonded Turntrans-71.718.7-177.972.30000111.3R349 N353R349-S351 VanDerWaalsContact C-N 3.32Å; R349-S351 PolarHBondContact O-N 2.75Å; S351-N353 PolarHBondContact O-N 3.31Å
352S36.7Very low46.1Very low50 Ų5096.2 Ų96.235%0.3549%0.489SS..THydrogen-bonded Turntrans-83.7-11.3-164.558.30000113.4N350N350-S352 PolarHBondContact O-N 2.84Å
353N41.1Very low48.1Very low119 Ų11991.9 Ų91.964%0.63647%0.466SS*.SBendtrans-126.63.8-174.6-81.1-8.8000115.5S351 R355S351-N353 PolarHBondContact O-N 3.31Å; N353-R355 PolarHBondContact O-N 2.92Å
354E49.9Very low49.6Very low122 Ų12286.7 Ų86.757%0.5746%0.455SS*.  trans-75.599.7177.1-73.6-176176.300109.9G356 F381E354-G356 PolarHBondContact O-N 2.83Å; E354-F381 VanDerWaalsContact OE2-CE1 3.25Å; E354-F381 WeakPolarHBondContact OE2-CE1 3.36Å
355R59.8Low50.7Low46 Ų4684.3 Ų84.317%0.17444%0.438CS..  trans-77.1110.5166.5-68.8-175179.7-168.93.2108.1P262 N353 S382P262-R355 VanDerWaalsContact C-NH1 3.27Å; P262-R355 PolarHBondContact O-NH1 2.8Å; N353-R355 PolarHBondContact O-N 2.92Å; R355-S382 VanDerWaalsContact O-CB 3.31Å; R355-S382 WeakPolarHBondContact O-CB 3.45Å; R355-S382 PolarHBondContact O-OG 3.29Å
356G67.6Low51.9Low2 Ų282 Ų822%0.02143%0.433CS..EExtended strand (participates in β ladder)trans-117.7166.2179.100000112.2M184 E354 L380M184-G356 WeakPolarHBondContact CB-O 3.22Å; M184-G356 WeakPolarHBondContact CG-O 3.41Å; M184-G356 PolarHBondContact N-O 2.88Å; E354-G356 PolarHBondContact O-N 2.83Å; G356-L380 VanDerWaalsContact CA-O 3.32Å; G356-L380 WeakPolarHBondContact CA-O 3.02Å
357I70.6Confident53.1Low1 Ų182.7 Ų82.71%0.00543%0.433CS..EExtended strand (participates in β ladder)trans-114.8129.6164.8-72168.1000107.6Y181 L183 F234 I236 L258 L380Y181-I357 HydrophobicContact CD1-CG2 3.99Å; Y181-I357 HydrophobicContact CG-CG2 4.45Å; L183-I357 HydrophobicContact CD2-CD1 4.26Å; L183-I357 HydrophobicContact CD2-CG1 4.05Å; F234-I357 HydrophobicContact CB-CD1 3.52Å; F234-I357 HydrophobicContact CD1-CD1 3.31Å; F234-I357 HydrophobicContact CD1-CG1 3.55Å; F234-I357 HydrophobicContact CE1-CD1 4.21Å; F234-I357 HydrophobicContact CE1-CG1 3.96Å; F234-I357 HydrophobicContact CG-CD1 3.63Å; F234-I357 HydrophobicContact CG-CG1 4.23Å; I236-I357 HydrophobicContact CD1-CD1 3.87Å; I236-I357 HydrophobicContact CG1-CD1 4.04Å; L258-I357 HydrophobicContact CD1-CD1 3.72Å; L258-I357 HydrophobicContact CD2-CB 4.37Å; L258-I357 HydrophobicContact CD2-CD1 4.23Å; L258-I357 HydrophobicContact CD2-CG1 4.36Å; I357-L380 PolarHBondContact N-O 3.03Å; I357-L380 PolarHBondContact O-N 2.9Å
358R78.3Confident53.8Low106 Ų10682.5 Ų82.540%0.442%0.424SS..EExtended strand (participates in β ladder)trans-82.3121.1164.4-168.9178.3179.1175.22.9108.1Y181 T182 M184 D377Y181-R358 WeakPolarHBondContact CA-O 3.22Å; T182-R358 PolarHBondContact N-O 3.04Å; T182-R358 PolarHBondContact O-N 3.25Å; M184-R358 HydrophobicContact CE-CB 3.62Å; M184-R358 HydrophobicContact CE-CG 4.3Å; R358-D377 IonicContact CZ-OD2 3.5Å; R358-D377 IonicContact NE-OD2 2.79Å; R358-D377 IonicContact NH2-OD2 2.69Å; R358-D377 PolarHBondContact NH2-OD2 3.23Å
359M80.1Confident54.9Low5 Ų581.9 Ų81.93%0.02543%0.429CS..EExtended strand (participates in β ladder)trans-109.8131.8178.6-177.7-173.4-168.500108.6R179 E180 Y181 Q241 D377 D378 L380R179-M359 HydrophobicContact CG-CE 4.02Å; E180-M359 CarbonylContact O-C 3.41Å; E180-M359 WeakPolarHBondContact O-CA 3.12Å; Y181-M359 HydrophobicContact CD1-CB 4.25Å; Y181-M359 HydrophobicContact CD1-CG 3.97Å; Y181-M359 HydrophobicContact CE1-CB 4.47Å; Y181-M359 HydrophobicContact CE1-CE 3.82Å; Y181-M359 HydrophobicContact CE1-CG 3.77Å; Y181-M359 HydrophobicContact CE1-SD 4.09Å; Q241-M359 HydrophobicContact CG-CE 4.27Å; M359-D377 CarbonylContact O-C 3.58Å; M359-D377 WeakPolarHBondContact O-CA 3.43Å; M359-D378 PolarHBondContact N-O 3.43Å; M359-D378 PolarHBondContact O-N 3.1Å; M359-L380 HydrophobicContact CB-CD1 4.38Å; M359-L380 HydrophobicContact SD-CD1 4Å; M359-L380 HydrophobicContact SD-CG 4.47Å
360K79.5Confident55.6Low52 Ų5277 Ų7723%0.22642%0.42CS..EExtended strand (participates in β ladder)trans-113.3122.2167.7-51.2-162.2166.5-176.70108.6R179 E180 F362 I375 Q376 D377R179-K360 CarbonylContact C-O 3.54Å; R179-K360 VanDerWaalsContact CA-O 3.28Å; R179-K360 WeakPolarHBondContact CA-O 3.28Å; E180-K360 HydrophobicContact CB-CB 4.28Å; E180-K360 PolarHBondContact N-O 3.35Å; E180-K360 PolarHBondContact O-N 3.36Å; K360-F362 HydrophobicContact CB-CE2 4.17Å; K360-F362 HydrophobicContact CB-CZ 4.3Å; K360-I375 HydrophobicContact CB-CG2 4.3Å; K360-I375 HydrophobicContact CD-CG2 4.43Å; K360-Q376 CarbonylContact C-O 3.41Å; K360-Q376 VanDerWaalsContact CA-O 3.31Å; K360-Q376 WeakPolarHBondContact CA-O 3.46Å; K360-D377 VanDerWaalsContact CD-OD1 3.23Å; K360-D377 WeakPolarHBondContact CD-OD1 3.28Å; K360-D377 WeakPolarHBondContact CE-OD1 3.15Å; K360-D377 WeakPolarHBondContact CE-OD2 3.47Å; K360-D377 WeakPolarHBondContact CG-OD1 3.36Å; K360-D377 IonicContact NZ-OD2 3.96Å
361T77.4Confident56.3Low11 Ų1178.3 Ų78.37%0.06743%0.426CS..EExtended strand (participates in β ladder)trans-105.1129.1175.3-55.80000108.8R179 L245 I363 I375 Q376R179-T361 HydrophobicContact CG-CG2 4.27Å; L245-T361 HydrophobicContact CD2-CG2 4.47Å; T361-I363 HydrophobicContact CG2-CG1 4.1Å; T361-I375 WeakPolarHBondContact O-CA 3.11Å; T361-Q376 PolarHBondContact N-O 3.24Å; T361-Q376 PolarHBondContact O-N 3.01Å
362F72.8Confident56.5Low45 Ų4576.4 Ų76.420%0.19741%0.413CS..EExtended strand (participates in β ladder)trans-100.5108.7179.1-59.8-90.8000108K177 V178 E180 K360 F373 I375K177-F362 HydrophobicContact CD-CD2 4.49Å; K177-F362 HydrophobicContact CD-CE2 4.15Å; K177-F362 HydrophobicContact CD-CZ 4.48Å; K177-F362 VanDerWaalsContact CE-CE2 3.44Å; K177-F362 HydrophobicContact CG-CD2 4.04Å; K177-F362 HydrophobicContact CG-CE2 4.15Å; V178-F362 PolarHBondContact O-N 3.06Å; E180-F362 HydrophobicContact CB-CE2 3.9Å; E180-F362 HydrophobicContact CB-CZ 4.5Å; K360-F362 HydrophobicContact CB-CE2 4.17Å; K360-F362 HydrophobicContact CB-CZ 4.3Å; F362-F373 HydrophobicContact CB-CD1 4.39Å; F362-I375 HydrophobicContact CD1-CD1 4.47Å; F362-I375 HydrophobicContact CD1-CG1 4.04Å; F362-I375 HydrophobicContact CE1-CD1 4.1Å; F362-I375 HydrophobicContact CE1-CG1 4.1Å
363I65Low57Low54 Ų5479.2 Ų79.228%0.27742%0.419SS..EExtended strand (participates in β ladder)trans-101.1119.1-178.8-56173.4000108.3L245 T361 F373 K374L245-I363 HydrophobicContact CD2-CD1 4.18Å; L245-I363 HydrophobicContact CD2-CG1 4Å; T361-I363 HydrophobicContact CG2-CG1 4.1Å; I363-F373 WeakPolarHBondContact O-CA 3.5Å; I363-F373 WeakPolarHBondContact O-CD1 3.43Å; I363-K374 PolarHBondContact N-O 3.3Å; I363-K374 PolarHBondContact O-N 3.47Å; I363-K374 VanDerWaalsContact O-N 3.14Å
364S52.6Low57.4Low84 Ų8480.4 Ų80.459%0.58742%0.419SS*.EExtended strand (participates in β ladder)trans-74.3125.2165.4166.80000108.5
365N45.7Very low57.7Low57 Ų5779.4 Ų79.431%0.30542%0.416SS..  trans-89.2104.3174.5-157.634.7000107.9D367N365-D367 PolarHBondContact O-N 2.98Å
366S48.3Very low57.9Low107 Ų10781.2 Ų81.275%0.74843%0.426SS*.THydrogen-bonded Turntrans-72.4-16.9174.162.40000113.2
367D49Very low57.4Low134 Ų13484.4 Ų84.472%0.71744%0.443SS*.THydrogen-bonded Turntrans-89.5-8.4-166.4-720.3000114.2N365N365-D367 PolarHBondContact O-N 2.98Å
368N41.1Very low57.2Low98 Ų9887 Ų8752%0.52446%0.457SS..SBendtrans-128134.3170.5-83.9-14.6000108.9D370N368-D370 HydrophobicContact CB-CB 4.42Å; N368-D370 PolarHBondContact O-N 3.1Å
369N47.4Very low56.3Low175 Ų17586.4 Ų86.494%0.93646%0.461SS*.SBendtrans-57.71.3170-81.4-21.7000114.3
370D41.6Very low55.4Low110 Ų11087.2 Ų87.259%0.58847%0.465SS*.SBendtrans-83.4113.6168.4-68.1-28.3000108.7N368 S372N368-D370 HydrophobicContact CB-CB 4.42Å; N368-D370 PolarHBondContact O-N 3.1Å; D370-S372 PolarHBondContact O-N 3.07Å
371N43.6Very low54.5Low161 Ų16190.7 Ų90.786%0.86148%0.48SS*.  trans-61.527.5171.4-71.8-28.3000113.9F373N371-F373 PolarHBondContact O-N 3.37Å
372S38.7Very low53.8Low65 Ų6592.1 Ų92.146%0.45549%0.491SS..PPolyproline II helixtrans-73.6116.2176.270.30000110.1D370D370-S372 PolarHBondContact O-N 3.07Å
373F46.4Very low53.1Low110 Ų11093.3 Ų93.348%0.48250%0.497SS..EExtended strand (participates in β ladder)trans-80.6131.6168.2-78.3-91.5000109.5F362 I363 N371F362-F373 HydrophobicContact CB-CD1 4.39Å; I363-F373 WeakPolarHBondContact O-CA 3.5Å; I363-F373 WeakPolarHBondContact O-CD1 3.43Å; N371-F373 PolarHBondContact O-N 3.37Å
374K50.1Low52.9Low144 Ų14494.3 Ų94.363%0.62651%0.509SS*.EExtended strand (participates in β ladder)trans-86.1127.8163.2-76.6-177-179.7173.10108.4I363I363-K374 PolarHBondContact N-O 3.3Å; I363-K374 PolarHBondContact O-N 3.47Å; I363-K374 VanDerWaalsContact O-N 3.14Å
375I56.2Low53.5Low100 Ų10091.8 Ų91.851%0.51349%0.488SS..EExtended strand (participates in β ladder)trans-97.6116.9172.3-58.3174.4000107.1K360 T361 F362 D377K360-I375 HydrophobicContact CB-CG2 4.3Å; K360-I375 HydrophobicContact CD-CG2 4.43Å; T361-I375 WeakPolarHBondContact O-CA 3.11Å; F362-I375 HydrophobicContact CD1-CD1 4.47Å; F362-I375 HydrophobicContact CD1-CG1 4.04Å; F362-I375 HydrophobicContact CE1-CD1 4.1Å; F362-I375 HydrophobicContact CE1-CG1 4.1Å; I375-D377 WeakPolarHBondContact CG2-OD1 3.34Å
376Q63.4Low54.1Low84 Ų8495.8 Ų95.839%0.39351%0.505SS..EExtended strand (participates in β ladder)trans-98.1120.1170-178.8172.4-9.100108.8K360 T361 D378K360-Q376 CarbonylContact C-O 3.41Å; K360-Q376 VanDerWaalsContact CA-O 3.31Å; K360-Q376 WeakPolarHBondContact CA-O 3.46Å; T361-Q376 PolarHBondContact N-O 3.24Å; T361-Q376 PolarHBondContact O-N 3.01Å; Q376-D378 PolarHBondContact NE2-OD1 3.38Å; Q376-D378 PolarHBondContact NE2-OD2 2.83Å
377D58.1Low54.9Low69 Ų6998.3 Ų98.337%0.36950%0.502SS..EExtended strand (participates in β ladder)trans-103.1104.3178.1-87.413.7000109R358 M359 K360 I375R358-D377 IonicContact CZ-OD2 3.5Å; R358-D377 IonicContact NE-OD2 2.79Å; R358-D377 IonicContact NH2-OD2 2.69Å; R358-D377 PolarHBondContact NH2-OD2 3.23Å; M359-D377 CarbonylContact O-C 3.58Å; M359-D377 WeakPolarHBondContact O-CA 3.43Å; K360-D377 VanDerWaalsContact CD-OD1 3.23Å; K360-D377 WeakPolarHBondContact CD-OD1 3.28Å; K360-D377 WeakPolarHBondContact CE-OD1 3.15Å; K360-D377 WeakPolarHBondContact CE-OD2 3.47Å; K360-D377 WeakPolarHBondContact CG-OD1 3.36Å; K360-D377 IonicContact NZ-OD2 3.96Å; I375-D377 WeakPolarHBondContact CG2-OD1 3.34Å
378D65.4Low56.3Low57 Ų5797.8 Ų97.831%0.30549%0.491SS..EExtended strand (participates in β ladder)trans-107.9148.5178.4-64-36.3000110.8M359 Q376M359-D378 PolarHBondContact N-O 3.43Å; M359-D378 PolarHBondContact O-N 3.1Å; Q376-D378 PolarHBondContact NE2-OD1 3.38Å; Q376-D378 PolarHBondContact NE2-OD2 2.83Å
379I60.4Low58.4Low92 Ų9294 Ų9447%0.47247%0.472SS..EExtended strand (participates in β ladder)trans-110.2115171.1-60.3175.5000107.3M184 F381M184-I379 HydrophobicContact CE-CB 4.29Å; M184-I379 HydrophobicContact CE-CD1 3.95Å; M184-I379 HydrophobicContact CE-CG1 3.75Å; M184-I379 HydrophobicContact CE-CG2 3.71Å; M184-I379 HydrophobicContact SD-CG2 4.35Å; I379-F381 HydrophobicContact CG2-CE1 4.24Å; I379-F381 HydrophobicContact CG2-CE2 4.29Å; I379-F381 HydrophobicContact CG2-CZ 4.01Å
380L61Low60.3Low22 Ų2286.8 Ų86.812%0.11543%0.432CS..EExtended strand (participates in β ladder)trans-88120.5176.3-62175.9000109L258 G356 I357 M359L258-L380 HydrophobicContact CB-CB 4.2Å; L258-L380 HydrophobicContact CD2-CB 3.67Å; L258-L380 WeakPolarHBondContact CD2-O 3.36Å; G356-L380 VanDerWaalsContact CA-O 3.32Å; G356-L380 WeakPolarHBondContact CA-O 3.02Å; I357-L380 PolarHBondContact N-O 3.03Å; I357-L380 PolarHBondContact O-N 2.9Å; M359-L380 HydrophobicContact CB-CD1 4.38Å; M359-L380 HydrophobicContact SD-CD1 4Å; M359-L380 HydrophobicContact SD-CG 4.47Å
381F60Low62.6Low125 Ų12581.6 Ų81.655%0.54840%0.404SS..EExtended strand (participates in β ladder)trans-86.9142.9172.9-63.5-79.4000110.3E354 I379E354-F381 VanDerWaalsContact OE2-CE1 3.25Å; E354-F381 WeakPolarHBondContact OE2-CE1 3.36Å; I379-F381 HydrophobicContact CG2-CE1 4.24Å; I379-F381 HydrophobicContact CG2-CE2 4.29Å; I379-F381 HydrophobicContact CG2-CZ 4.01Å
382S62.5Low64.9Low42 Ų4275.8 Ų75.829%0.29437%0.372SS..PPolyproline II helixtrans-95.8151.2-17660.60000112.6R355R355-S382 VanDerWaalsContact O-CB 3.31Å; R355-S382 WeakPolarHBondContact O-CB 3.45Å; R355-S382 PolarHBondContact O-OG 3.29Å
383Q58.5Low67.4Low70 Ų7072.7 Ų72.733%0.32735%0.351SS..EExtended strand (participates in β ladder)trans-104.2126.5155.8-1661748.100107.7V260V260-Q383 PolarHBondContact N-O 3Å
384S60Low69.5Low74 Ų7468.6 Ų68.652%0.51734%0.336SS..EExtended strand (participates in β ladder)trans-73127.9175.1-177.20000109.7V260V260-S384 WeakPolarHBondContact O-CA 3.25Å
385M65.6Low71.1Confident31 Ų3161.8 Ų61.815%0.15331%0.306CS..  trans-81.1178.5171.8-93.6-74.9171.200112.4I259 V260 Y261 N312I259-M385 HydrophobicContact CD1-CE 4.33Å; I259-M385 HydrophobicContact CG2-CB 4.28Å; I259-M385 HydrophobicContact CG2-CG 3.47Å; I259-M385 VanDerWaalsContact CG2-CG 3.47Å; V260-M385 PolarHBondContact O-N 3.16Å; Y261-M385 HydrophobicContact CD1-CB 3.94Å; Y261-M385 HydrophobicContact CE1-CB 3.52Å; Y261-M385 HydrophobicContact CE1-CG 4.24Å; Y261-M385 HydrophobicContact CE2-CB 4.48Å; N312-M385 VanDerWaalsContact O-CE 3.28Å; N312-M385 WeakPolarHBondContact O-CE 3.3Å
386E58.6Low71.9Confident142 Ų14260.5 Ų60.566%0.66431%0.306SS*.  trans-47.9138.1174.3-71.4178.2175.900112.5Y388E386-Y388 PolarHBondContact O-N 3.27Å
387K64.4Low72Confident159 Ų15959.7 Ų59.769%0.69131%0.31SS*.SBendtrans-78.9-7.8-179.7-65.8-176.3178.1-178.30113.4
388Y78.3Confident72.2Confident124 Ų12456.9 Ų56.949%0.48630%0.295SS..SBendtrans-118.5137.8-171.3-57.8-75000110.9E386E386-Y388 PolarHBondContact O-N 3.27Å
389P86.5Confident71.8Confident17 Ų1757.8 Ų57.811%0.1131%0.305CS..  trans-71.6151.4177.629.8-34.4000111.3R307 W309 I392 P513R307-P389 HydrophobicContact CB-CB 4.04Å; R307-P389 HydrophobicContact CG-CB 4.17Å; R307-P389 HydrophobicContact CG-CG 4.31Å; W309-P389 HydrophobicContact CD2-CB 4.37Å; W309-P389 HydrophobicContact CE3-CB 4.24Å; W309-P389 HydrophobicContact CH2-CB 4.17Å; W309-P389 HydrophobicContact CZ2-CB 4.27Å; W309-P389 HydrophobicContact CZ3-CB 4.16Å; P389-I392 HydrophobicContact CB-CG2 4.04Å; P389-I392 HydrophobicContact CG-CG2 3.61Å; P389-P513 HydrophobicContact CG-CB 4.19Å; P389-P513 HydrophobicContact CG-CG 4.49Å; P389-P513 WeakPolarHBondContact O-CB 3.43Å
390Y86.6Confident71.4Confident25 Ų2556.2 Ų56.210%0.09830%0.295CS..SBendtrans-72.8-45.2174.7165.7-106.5000111.5L293 V308 C310 P492 P494 I514L293-Y390 HydrophobicContact CD2-CD1 4.4Å; V308-Y390 HydrophobicContact CG1-CD1 4.41Å; V308-Y390 WeakPolarHBondContact O-CA 3.24Å; V308-Y390 WeakPolarHBondContact O-CB 3.42Å; V308-Y390 PolarHBondContact O-N 3Å; C310-Y390 HydrophobicContact CB-CD2 4.39Å; C310-Y390 HydrophobicContact CB-CG 4.1Å; Y390-P492 HydrophobicContact CE1-CG 4.43Å; Y390-P492 WeakPolarHBondContact CE1-O 2.99Å; Y390-P492 PolarHBondContact OH-O 3.43Å; Y390-P494 HydrophobicContact CE2-CB 4.46Å; Y390-P494 HydrophobicContact CE2-CG 4.48Å; Y390-I514 HydrophobicContact CE2-CD1 3.91Å; Y390-I514 PolarHBondContact O-N 3.36Å
391A89.8Confident70.7Confident0 Ų063.1 Ų63.10%033%0.327CS..EExtended strand (participates in β ladder)trans-140.9154.9177.400000111.4V308 I514 L516V308-A391 HydrophobicContact CB-CB 4.17Å; V308-A391 PolarHBondContact N-O 2.87Å; V308-A391 PolarHBondContact O-N 3.36Å; A391-I514 CarbonylContact C-O 3.47Å; A391-I514 WeakPolarHBondContact CA-O 3.48Å; A391-I514 HydrophobicContact CB-CB 4.17Å; A391-I514 VanDerWaalsContact CB-O 3.28Å; A391-I514 WeakPolarHBondContact CB-O 3.01Å; A391-L516 HydrophobicContact CB-CD2 3.76Å; A391-L516 HydrophobicContact CB-CG 4.07Å
392I92.1Very high70Confident39 Ų3959.5 Ų59.520%0.233%0.325CS..EExtended strand (participates in β ladder)trans-135.9151.3-18062.2170.3000111.6L306 R307 P389 P513 I514 Q515 L516L306-I392 CarbonylContact O-C 3.53Å; L306-I392 VanDerWaalsContact O-CA 3.29Å; L306-I392 WeakPolarHBondContact O-CA 3.39Å; R307-I392 HydrophobicContact CG-CG2 3.98Å; P389-I392 HydrophobicContact CB-CG2 4.04Å; P389-I392 HydrophobicContact CG-CG2 3.61Å; I392-P513 HydrophobicContact CD1-CB 4.37Å; I392-P513 HydrophobicContact CD1-CG 3.71Å; I392-P513 HydrophobicContact CG1-CB 4.06Å; I392-P513 HydrophobicContact CG1-CG 3.95Å; I392-P513 HydrophobicContact CG2-CB 3.85Å; I392-P513 HydrophobicContact CG2-CG 4.04Å; I392-I514 PolarHBondContact N-O 3.44Å; I392-Q515 WeakPolarHBondContact O-CA 3.11Å; I392-Q515 PolarHBondContact O-OE1 2.94Å; I392-L516 PolarHBondContact O-N 3.37Å
393A91.4Very high69.1Low1 Ų161.8 Ų61.81%0.00835%0.346CS..EExtended strand (participates in β ladder)trans-128.8143.3162.300000109.4T305 L306 F431 W489 L516T305-A393 CarbonylContact C-O 3.6Å; T305-A393 WeakPolarHBondContact CA-O 3.24Å; L306-A393 HydrophobicContact CB-CB 4.2Å; L306-A393 HydrophobicContact CD2-CB 4.19Å; L306-A393 PolarHBondContact N-O 2.73Å; L306-A393 PolarHBondContact O-N 3.09Å; A393-F431 HydrophobicContact CB-CZ 4.12Å; A393-W489 HydrophobicContact CB-CD2 4.33Å; A393-W489 HydrophobicContact CB-CE3 4.17Å; A393-W489 HydrophobicContact CB-CH2 3.84Å; A393-W489 HydrophobicContact CB-CZ2 4Å; A393-W489 HydrophobicContact CB-CZ3 3.91Å; A393-L516 HydrophobicContact CB-CB 4.15Å; A393-L516 HydrophobicContact CB-CD1 4.08Å
394S90.3Very high68.5Low24 Ų2461.3 Ų61.317%0.16835%0.348CS..EExtended strand (participates in β ladder)trans-119.9138.3175.6175.90000110S304 S396 S397S304-S394 WeakPolarHBondContact O-CA 3.31Å; S394-S396 PolarHBondContact O-N 2.95Å; S394-S396 PolarHBondContact OG-N 2.85Å; S394-S396 PolarHBondContact OG-OG 2.85Å; S394-S397 PolarHBondContact O-N 2.84Å; S394-S397 VanDerWaalsContact O-N 3.07Å; S394-S397 PolarHBondContact O-OG 2.96Å
395C84.8Confident67.6Low0 Ų060.8 Ų60.80%034%0.343CS..G310 helixtrans-55.9-32171.2-74.60000112.4S304 S397 L398 F400 F431S304-C395 PolarHBondContact O-N 3Å; C395-S397 PolarHBondContact O-N 2.81Å; C395-L398 PolarHBondContact O-N 2.84Å; C395-F400 WeakPolarHBondContact O-CE2 3.41Å; C395-F400 WeakPolarHBondContact O-CZ 3.4Å; C395-F431 VanDerWaalsContact SG-CD2 3.57Å; C395-F431 WeakPolarHBondContact SG-CE2 3.13Å
396S73.1Confident66.5Low73 Ų7364.5 Ų64.551%0.5137%0.369SS..G310 helixtrans-68-22.1178.759.70000113.8S394 L398S394-S396 PolarHBondContact O-N 2.95Å; S394-S396 PolarHBondContact OG-N 2.85Å; S394-S396 PolarHBondContact OG-OG 2.85Å; S396-L398 VanDerWaalsContact C-N 3.3Å
397S63.9Low65.6Low67 Ų6760.7 Ų60.747%0.46936%0.357SS..G310 helixtrans-78.8-12.2179.467.60000113.8S394 C395 Q515S394-S397 PolarHBondContact O-N 2.84Å; S394-S397 VanDerWaalsContact O-N 3.07Å; S394-S397 PolarHBondContact O-OG 2.96Å; C395-S397 PolarHBondContact O-N 2.81Å; S397-Q515 PolarHBondContact OG-NE2 2.96Å
398L62.4Low64.1Low10 Ų1057.7 Ų57.75%0.05236%0.356CS..SBendtrans-81.1130176.6-69.4103.7000110.5C395 S396 F400 I473 V487 W489 T518C395-L398 PolarHBondContact O-N 2.84Å; S396-L398 VanDerWaalsContact C-N 3.3Å; L398-F400 HydrophobicContact CB-CE2 4.31Å; L398-F400 HydrophobicContact CB-CZ 4.24Å; L398-F400 WeakPolarHBondContact O-CD2 3.49Å; L398-F400 WeakPolarHBondContact O-CE2 3.43Å; L398-F400 PolarHBondContact O-N 2.85Å; L398-I473 HydrophobicContact CD1-CD1 3.77Å; L398-I473 HydrophobicContact CD2-CD1 3.92Å; L398-V487 HydrophobicContact CD2-CG2 3.95Å; L398-W489 HydrophobicContact CD1-CH2 3.9Å; L398-W489 HydrophobicContact CD1-CZ2 4.25Å; L398-W489 HydrophobicContact CD2-CH2 4.35Å; L398-W489 HydrophobicContact CG-CH2 4.21Å; L398-T518 HydrophobicContact CD2-CG2 4.48Å
399S57.2Low62Low76 Ų7657.3 Ų57.353%0.53137%0.368SS..  trans-67.8106.817157.40000109.8H401 R485S399-H401 PolarHBondContact O-N 2.77Å; S399-R485 PolarHBondContact O-NH1 2.83Å
400F53.6Low59.6Low59 Ų5964 Ų6426%0.25940%0.403SS..  trans-81.363.7170.7-61.2-82.3000110.2C395 L398 G402 Y429C395-F400 WeakPolarHBondContact O-CE2 3.41Å; C395-F400 WeakPolarHBondContact O-CZ 3.4Å; L398-F400 HydrophobicContact CB-CE2 4.31Å; L398-F400 HydrophobicContact CB-CZ 4.24Å; L398-F400 WeakPolarHBondContact O-CD2 3.49Å; L398-F400 WeakPolarHBondContact O-CE2 3.43Å; L398-F400 PolarHBondContact O-N 2.85Å; F400-G402 PolarHBondContact O-N 3.4Å; F400-G402 VanDerWaalsContact O-N 3.12Å; F400-Y429 HydrophobicContact CD1-CD2 4.03Å; F400-Y429 AromaticContact CD1-CE2 3.69Å; F400-Y429 HydrophobicContact CD1-CE2 3.69Å; F400-Y429 HydrophobicContact CE1-CD1 4.09Å; F400-Y429 AromaticContact CE1-CD2 3.39Å; F400-Y429 HydrophobicContact CE1-CD2 3.39Å; F400-Y429 HydrophobicContact CE1-CE1 4.14Å; F400-Y429 AromaticContact CE1-CE2 3.48Å; F400-Y429 HydrophobicContact CE1-CE2 3.48Å; F400-Y429 VanDerWaalsContact CE1-CE2 3.48Å; F400-Y429 AromaticContact CE1-CG 3.72Å; F400-Y429 HydrophobicContact CE1-CG 3.72Å; F400-Y429 AromaticContact CE1-CZ 3.86Å; F400-Y429 HydrophobicContact CE2-CD2 4.19Å; F400-Y429 HydrophobicContact CG-CE2 4.42Å; F400-Y429 AromaticContact CZ-CD2 3.49Å; F400-Y429 HydrophobicContact CZ-CD2 3.49Å; F400-Y429 VanDerWaalsContact CZ-CD2 3.49Å; F400-Y429 HydrophobicContact CZ-CE2 4.05Å; F400-Y429 AromaticContact CZ-CG 3.76Å; F400-Y429 HydrophobicContact CZ-CG 3.76Å
401H45.2Very low56.8Low168 Ų16870.4 Ų70.478%0.77844%0.439SS*.  trans-72.3101168.1-73.9-50.6000108.9S399S399-H401 PolarHBondContact O-N 2.77Å
402G44.5Very low53.9Low49 Ų4976.4 Ų76.451%0.50548%0.475SS..SBendtrans136.4105.4169.700000114.6F400 T404F400-G402 PolarHBondContact O-N 3.4Å; F400-G402 VanDerWaalsContact O-N 3.12Å; G402-T404 VanDerWaalsContact C-N 3.3Å; G402-T404 PolarHBondContact O-N 3.32Å
403A44Very low50.8Low90 Ų9080 Ų8074%0.74450%0.504SS*.  trans44.531.814800000119.4P405A403-P405 WeakPolarHBondContact O-CD 3.4Å
404T46.1Very low47.7Very low59 Ų5986.4 Ų86.436%0.36254%0.543SS..  trans-73.8113.3167.946.10000108.9G402 Y429G402-T404 VanDerWaalsContact C-N 3.3Å; G402-T404 PolarHBondContact O-N 3.32Å; T404-Y429 HydrophobicContact CG2-CE2 4.15Å; T404-Y429 WeakPolarHBondContact CG2-OH 3.17Å
405P42.1Very low44.7Very low63 Ų6390.5 Ų90.541%0.40957%0.571SS.*PPolyproline II helixtrans-61.1136.916725.8-31.1000107.9A403A403-P405 WeakPolarHBondContact O-CD 3.4Å
406P40.9Very low41.9Very low109 Ų10998.2 Ų98.271%0.70861%0.612SS**PPolyproline II helixtrans-54.5153.8168.424-31.9000109.3S408P406-S408 PolarHBondContact O-N 3.33Å
407P40.6Very low39.6Very low63 Ų63104.1 Ų104.141%0.40963%0.629SS.*PPolyproline II helixtrans-50.4140.2172.622.8-32.4000108.8P409P407-P409 VanDerWaalsContact O-N 3.11Å
408S32Very low37.8Very low95 Ų95106.6 Ų106.666%0.66464%0.641SS**  trans-43.5123.7171.7-33.80000107.9P406 N410P406-S408 PolarHBondContact O-N 3.33Å; S408-N410 PolarHBondContact O-N 3.47Å
409P35.3Very low36Very low116 Ų116113 Ų11375%0.75368%0.68SS**  trans-56.3123.817421.7-29.9000106.7P407 L411P407-P409 VanDerWaalsContact O-N 3.11Å; P409-L411 VanDerWaalsContact C-N 3.31Å; P409-L411 PolarHBondContact O-N 3.34Å
410N35.1Very low34.6Very low158 Ų158113.8 Ų113.885%0.84569%0.686SS**  trans-55.2105.1167.4-83.9-26.8000106.2S408 V412S408-N410 PolarHBondContact O-N 3.47Å; N410-V412 PolarHBondContact O-N 2.82Å
411L28.5Very low33.3Very low160 Ų160120.1 Ų120.184%0.83872%0.717SS**SBendtrans-59.9127.3163.4-138.380.1000105P409P409-L411 VanDerWaalsContact C-N 3.31Å; P409-L411 PolarHBondContact O-N 3.34Å
412V29.1Very low32.5Very low126 Ų126122.6 Ų122.676%0.76472%0.719SS**  trans88.187.3176.3-162.10000116N410N410-V412 PolarHBondContact O-N 2.82Å
413S26.8Very low32Very low115 Ų115125.2 Ų125.280%0.80473%0.73SS**  -151.882.5125.4660000109.2S415S413-S415 PolarHBondContact O-N 2.9Å
414T25.6Very low31.8Very low134 Ų134124.7 Ų124.782%0.82272%0.721SS**  trans-67.399.8159.642.80000108.8
415S29Very low31.6Very low110 Ų110128.8 Ų128.877%0.76974%0.741SS**  trans175.8122.1138.354.20000110.8S413S413-S415 PolarHBondContact O-N 2.9Å
416N25.4Very low32Very low162 Ų162136 Ų13687%0.86676%0.759SS**  trans-0.1132.5154.9-58.5-24.3000118.1
417K24.8Very low33Very low198 Ų198131.7 Ų131.786%0.86173%0.732SS**  130.9133.4125.1-151.5176.6-173.3-179.90112.8
418V26.4Very low34.9Very low118 Ų118132.8 Ų132.872%0.71573%0.734SS**  trans85.491.3168.9-161.30000116.1S420V418-S420 PolarHBondContact O-N 2.54Å
419T24.3Very low37.6Very low144 Ų144128.9 Ų128.988%0.88371%0.705SS**  trans-45.5111.9145.141.60000110.8
420S26.9Very low40.3Very low93 Ų93126 Ų12665%0.6568%0.679SS**  trans-134.2115.4157.1-177.20000107.1V418 R422V418-S420 PolarHBondContact O-N 2.54Å; S420-R422 PolarHBondContact O-N 3.3Å
421E26.4Very low43.2Very low192 Ų192118.6 Ų118.690%0.89764%0.639SS**  trans-65.536.8-176.2-63.6173.3140.100114S423E421-S423 PolarHBondContact O-N 3.08Å; E421-S423 VanDerWaalsContact O-N 3.16Å
422R28.4Very low46.3Very low220 Ų220115.1 Ų115.183%0.8362%0.615SS**  trans-86.754.9164.3-82.8-176.7176173.2-0.5110.2S420 S424S420-R422 PolarHBondContact O-N 3.3Å; R422-S424 PolarHBondContact O-N 2.84Å
423S35.1Very low49.5Very low104 Ų104110.3 Ų110.373%0.72759%0.585SS**  trans-7460.9148.361.20000107.5E421 D425E421-S423 PolarHBondContact O-N 3.08Å; E421-S423 VanDerWaalsContact O-N 3.16Å; S423-D425 PolarHBondContact O-N 3.31Å; S423-D425 VanDerWaalsContact O-N 3.13Å
424S39.8Very low52.8Low80 Ų80105.3 Ų105.356%0.55955%0.549SS*.  trans-57.9120.8153.3510000104.1R422 R426R422-S424 PolarHBondContact O-N 2.84Å; S424-R426 PolarHBondContact O-N 2.93Å
425D41.2Very low56.2Low145 Ų145102 Ų10278%0.77552%0.524SS*.  trans-50.987.9174.9-78.2-43000108.1S423 S427S423-D425 PolarHBondContact O-N 3.31Å; S423-D425 VanDerWaalsContact O-N 3.13Å; D425-S427 PolarHBondContact O-N 3.38Å
426R50.4Low59.3Low214 Ų21498 Ų9881%0.80849%0.493SS*.  trans-68.196.8176-82-172.3170.7-172.1-1.4103.2S424 N428S424-R426 PolarHBondContact O-N 2.93Å; R426-N428 PolarHBondContact O-N 3.07Å
427S61.2Low62.4Low18 Ų1890.4 Ų90.413%0.12645%0.453CS..  trans-54.4119.3175.859.60000106.7S304 D425 Y429 L476S304-S427 WeakPolarHBondContact CB-OG 3.04Å; D425-S427 PolarHBondContact O-N 3.38Å; S427-Y429 PolarHBondContact O-N 2.83Å; S427-Y429 PolarHBondContact OG-O 3.07Å; S427-Y429 VanDerWaalsContact OG-O 3.09Å; S427-L476 WeakPolarHBondContact O-CD1 3.49Å
428N81.2Confident65.1Low87 Ų8783.1 Ų83.147%0.46542%0.421SS..SBendtrans-6912.4176.7-71.3-49.8000112.6R426 P475 L476R426-N428 PolarHBondContact O-N 3.07Å; N428-P475 CarbonylContact O-C 3.49Å; N428-P475 VanDerWaalsContact O-CA 3.3Å; N428-P475 WeakPolarHBondContact O-CA 3.31Å; N428-L476 PolarHBondContact O-N 3.43Å
429Y89.3Confident67.4Low13 Ų1377.8 Ų77.85%0.05139%0.388CS..EExtended strand (participates in β ladder)trans-131.2152.1-174.2-77.9-84.9000110.1F400 T404 S427 I473 Q474 P475 F483F400-Y429 HydrophobicContact CD1-CD2 4.03Å; F400-Y429 AromaticContact CD1-CE2 3.69Å; F400-Y429 HydrophobicContact CD1-CE2 3.69Å; F400-Y429 HydrophobicContact CE1-CD1 4.09Å; F400-Y429 AromaticContact CE1-CD2 3.39Å; F400-Y429 HydrophobicContact CE1-CD2 3.39Å; F400-Y429 HydrophobicContact CE1-CE1 4.14Å; F400-Y429 AromaticContact CE1-CE2 3.48Å; F400-Y429 HydrophobicContact CE1-CE2 3.48Å; F400-Y429 VanDerWaalsContact CE1-CE2 3.48Å; F400-Y429 AromaticContact CE1-CG 3.72Å; F400-Y429 HydrophobicContact CE1-CG 3.72Å; F400-Y429 AromaticContact CE1-CZ 3.86Å; F400-Y429 HydrophobicContact CE2-CD2 4.19Å; F400-Y429 HydrophobicContact CG-CE2 4.42Å; F400-Y429 AromaticContact CZ-CD2 3.49Å; F400-Y429 HydrophobicContact CZ-CD2 3.49Å; F400-Y429 VanDerWaalsContact CZ-CD2 3.49Å; F400-Y429 HydrophobicContact CZ-CE2 4.05Å; F400-Y429 AromaticContact CZ-CG 3.76Å; F400-Y429 HydrophobicContact CZ-CG 3.76Å; T404-Y429 HydrophobicContact CG2-CE2 4.15Å; T404-Y429 WeakPolarHBondContact CG2-OH 3.17Å; S427-Y429 PolarHBondContact O-N 2.83Å; S427-Y429 PolarHBondContact OG-O 3.07Å; S427-Y429 VanDerWaalsContact OG-O 3.09Å; Y429-I473 HydrophobicContact CD1-CG2 3.82Å; Y429-I473 HydrophobicContact CG-CG2 4.24Å; Y429-Q474 WeakPolarHBondContact CA-O 3.49Å; Y429-P475 HydrophobicContact CD1-CB 4.3Å; Y429-P475 HydrophobicContact CE1-CB 3.96Å; Y429-P475 HydrophobicContact CE1-CG 4.4Å; Y429-F483 VanDerWaalsContact CE1-O 3.27Å; Y429-F483 WeakPolarHBondContact CE1-O 2.89Å; Y429-F483 PolarHBondContact OH-O 2.9Å
430R92.2Very high69.6Low56 Ų5672.2 Ų72.221%0.21136%0.355CS..EExtended strand (participates in β ladder)trans-136.2152.2173.563.2-179.91791681.7110.8W303 I473 Q474 L476W303-R430 HydrophobicContact CB-CB 4.01Å; W303-R430 HydrophobicContact CD2-CB 4.14Å; W303-R430 HydrophobicContact CE3-CB 4.44Å; W303-R430 HydrophobicContact CG-CB 3.97Å; W303-R430 WeakPolarHBondContact O-CA 3.16Å; W303-R430 WeakPolarHBondContact O-CB 3.31Å; R430-I473 WeakPolarHBondContact O-CA 3.38Å; R430-Q474 HydrophobicContact CG-CG 4Å; R430-Q474 PolarHBondContact N-O 3.19Å; R430-Q474 PolarHBondContact O-N 3.46Å; R430-L476 HydrophobicContact CB-CD2 3.68Å; R430-L476 HydrophobicContact CG-CD2 3.69Å
431F94.6Very high71.5Confident1 Ų168.8 Ų68.80%0.00433%0.329CS..EExtended strand (participates in β ladder)trans-70.4148.4161.4-68.2-76.4000109.7I297 W303 S304 L306 A393 C395 I473 W489I297-F431 HydrophobicContact CD1-CB 3.75Å; I297-F431 HydrophobicContact CG1-CB 3.98Å; I297-F431 HydrophobicContact CG2-CB 3.77Å; W303-F431 PolarHBondContact O-N 2.85Å; S304-F431 VanDerWaalsContact O-CE2 3.29Å; S304-F431 WeakPolarHBondContact O-CE2 3.27Å; L306-F431 HydrophobicContact CB-CD1 4.41Å; L306-F431 HydrophobicContact CB-CD2 3.87Å; L306-F431 HydrophobicContact CB-CE1 4.34Å; L306-F431 HydrophobicContact CB-CE2 3.78Å; L306-F431 HydrophobicContact CB-CG 4.19Å; L306-F431 HydrophobicContact CB-CZ 4.04Å; L306-F431 HydrophobicContact CD2-CE1 4.42Å; A393-F431 HydrophobicContact CB-CZ 4.12Å; C395-F431 VanDerWaalsContact SG-CD2 3.57Å; C395-F431 WeakPolarHBondContact SG-CE2 3.13Å; F431-I473 HydrophobicContact CD1-CD1 4.19Å; F431-I473 HydrophobicContact CD1-CG1 3.68Å; F431-I473 HydrophobicContact CE1-CD1 3.6Å; F431-I473 HydrophobicContact CE1-CG1 3.63Å; F431-I473 HydrophobicContact CZ-CD1 4.14Å; F431-W489 AromaticContact CE1-CZ2 3.85Å; F431-W489 HydrophobicContact CE1-CZ2 3.85Å; F431-W489 AromaticContact CZ-CZ2 3.87Å; F431-W489 HydrophobicContact CZ-CZ2 3.87Å
432R94Very high73.1Confident87 Ų8765.1 Ų65.133%0.32831%0.31SS..EExtended strand (participates in β ladder)trans-130.3-44.3-179.6-175.556.4173.9176.54.8113.6S274 T472 Q474S274-R432 WeakPolarHBondContact CB-O 3.4Å; R432-T472 PolarHBondContact N-O 3.27Å; R432-Q474 HydrophobicContact CB-CG 4.16Å; R432-Q474 VanDerWaalsContact CG-NE2 3.27Å
433H96.6Very high74.2Confident26 Ų2656.9 Ų56.912%0.1229%0.286CS..EExtended strand (participates in β ladder)trans-130.5148.9178.4-51.3-43.5000110.4T471 T472 A531 C532 L533H433-T471 WeakPolarHBondContact O-CA 3.42Å; H433-T471 WeakPolarHBondContact O-CB 3.46Å; H433-T472 HydrophobicContact CB-CG2 4.49Å; H433-T472 WeakPolarHBondContact CB-OG1 3.28Å; H433-T472 PolarHBondContact CD2-OG1 3.36Å; H433-T472 VanDerWaalsContact CD2-OG1 3.27Å; H433-T472 PolarHBondContact N-OG1 3.23Å; H433-T472 VanDerWaalsContact N-OG1 3.16Å; H433-T472 PolarHBondContact O-N 3.26Å; H433-A531 PolarHBondContact CE1-O 2.92Å; H433-A531 VanDerWaalsContact CE1-O 3.23Å; H433-A531 PolarHBondContact NE2-O 3.45Å; H433-C532 PolarHBondContact NE2-N 3Å; H433-L533 HydrophobicContact CB-CB 3.87Å; H433-L533 HydrophobicContact CB-CD2 4.18Å
434C96.6Very high74.7Confident9 Ų957.5 Ų57.56%0.06129%0.288CS..EExtended strand (participates in β ladder)trans-140.3142.1171.762.10000111.2S274 T276 I297 L306 L469 V470 T471S274-C434 PolarHBondContact OG-N 3.36Å; T276-C434 HydrophobicContact CG2-CB 4.23Å; I297-C434 HydrophobicContact CD1-CB 3.73Å; I297-C434 HydrophobicContact CG1-CB 4.41Å; L306-C434 HydrophobicContact CD1-CB 4.25Å; C434-L469 HydrophobicContact CB-CD1 4.22Å; C434-V470 CarbonylContact C-O 3.54Å; C434-V470 VanDerWaalsContact CA-O 3.28Å; C434-V470 WeakPolarHBondContact CA-O 3.36Å; C434-T471 HydrophobicContact CB-CG2 3.88Å
435Q95.6Very high74.7Confident64 Ų6461.3 Ų61.330%0.29930%0.3SS..EExtended strand (participates in β ladder)trans-151.4136.5172.2-167.3172.912.800110.7V470 L533 V535Q435-V470 PolarHBondContact N-O 3.24Å; Q435-V470 PolarHBondContact O-N 2.78Å; Q435-L533 HydrophobicContact CB-CD2 4.13Å; Q435-V535 HydrophobicContact CB-CG2 3.97Å; Q435-V535 HydrophobicContact CG-CB 4.27Å; Q435-V535 HydrophobicContact CG-CG2 4.07Å
436F93.7Very high74.3Confident26 Ų2658.8 Ų58.811%0.11429%0.294CS..EExtended strand (participates in β ladder)trans-71.9141.9174.4-77.7-72.4000112T276 L293 A295 M468 L469 V491T276-F436 HydrophobicContact CG2-CD2 3.48Å; T276-F436 VanDerWaalsContact CG2-CD2 3.48Å; T276-F436 HydrophobicContact CG2-CE2 3.73Å; T276-F436 HydrophobicContact CG2-CG 4.26Å; T276-F436 WeakPolarHBondContact O-CE2 3.26Å; T276-F436 PolarHBondContact OG1-N 3.2Å; L293-F436 HydrophobicContact CB-CE1 4.23Å; L293-F436 HydrophobicContact CB-CE2 4.38Å; L293-F436 HydrophobicContact CB-CZ 3.69Å; L293-F436 WeakPolarHBondContact O-CE2 3.36Å; A295-F436 HydrophobicContact CB-CE2 3.92Å; A295-F436 HydrophobicContact CB-CZ 3.85Å; F436-M468 WeakPolarHBondContact CA-O 3.33Å; F436-L469 HydrophobicContact CD1-CB 4.26Å; F436-L469 HydrophobicContact CD1-CD1 3.99Å; F436-L469 HydrophobicContact CD2-CD1 4.49Å; F436-L469 HydrophobicContact CE1-CB 4.21Å; F436-L469 HydrophobicContact CE1-CD1 4.02Å; F436-L469 HydrophobicContact CG-CD1 4.23Å; F436-L469 HydrophobicContact CZ-CD1 4.29Å; F436-V491 HydrophobicContact CE1-CG2 4.38Å
437M90.5Very high73.4Confident4 Ų454.6 Ų54.62%0.0230%0.297CS..EExtended strand (participates in β ladder)trans-122.9125.2171.2-173.8168.382.400109Y439 M468 V470 V535 I544 L558M437-Y439 HydrophobicContact CE-CD2 4.17Å; M437-Y439 HydrophobicContact CE-CG 4.11Å; M437-M468 HydrophobicContact CB-CB 4.3Å; M437-M468 HydrophobicContact CE-CB 4.47Å; M437-M468 HydrophobicContact CE-SD 3.75Å; M437-M468 PolarHBondContact N-O 2.64Å; M437-M468 PolarHBondContact O-N 3.39Å; M437-M468 VanDerWaalsContact O-O 3.12Å; M437-V470 HydrophobicContact CB-CG2 3.91Å; M437-V470 HydrophobicContact SD-CG2 4.43Å; M437-V535 HydrophobicContact CB-CG1 3.59Å; M437-V535 HydrophobicContact CG-CG1 3.48Å; M437-V535 VanDerWaalsContact CG-CG1 3.48Å; M437-V535 HydrophobicContact SD-CG1 3.83Å; M437-I544 HydrophobicContact SD-CG1 4.3Å; M437-L558 HydrophobicContact CE-CB 4.41Å; M437-L558 HydrophobicContact CE-CD2 3.37Å
438K81.8Confident71.8Confident44 Ų4458.3 Ų58.319%0.19132%0.324CS..EExtended strand (participates in β ladder)trans-89.5120.6167.3-68.5-171.8177.7-170.30107.6H279 G280 V465 R539H279-K438 WeakPolarHBondContact O-CE 3.22Å; H279-K438 PolarHBondContact O-NZ 3.33Å; G280-K438 PolarHBondContact O-NZ 3.07Å; K438-V465 HydrophobicContact CB-CG1 4.49Å; K438-R539 HydrophobicContact CB-CG 4.17Å; K438-R539 WeakPolarHBondContact O-CA 3.45Å
439Y75Confident69.3Low6 Ų662.9 Ų62.92%0.02434%0.342CS..EExtended strand (participates in β ladder)trans-127.5123.6-178-164.7-115.5000110.3M437 L441 E466 M468 R539 G542 L558 P560M437-Y439 HydrophobicContact CE-CD2 4.17Å; M437-Y439 HydrophobicContact CE-CG 4.11Å; Y439-L441 HydrophobicContact CE1-CD1 4.2Å; Y439-E466 PolarHBondContact N-O 3.32Å; Y439-E466 PolarHBondContact O-N 3.24Å; Y439-M468 HydrophobicContact CD1-CE 3.84Å; Y439-M468 HydrophobicContact CD1-SD 4.2Å; Y439-M468 HydrophobicContact CG-CE 4.43Å; Y439-M468 HydrophobicContact CG-SD 4.3Å; Y439-R539 WeakPolarHBondContact CA-O 3.3Å; Y439-G542 VanDerWaalsContact CE2-CA 3.44Å; Y439-L558 HydrophobicContact CD1-CD2 4.41Å; Y439-L558 HydrophobicContact CE1-CD2 4.47Å; Y439-L558 PolarHBondContact OH-O 3.08Å; Y439-L558 VanDerWaalsContact OH-O 3.13Å; Y439-P560 HydrophobicContact CE1-CB 3.94Å; Y439-P560 WeakPolarHBondContact OH-CB 3.49Å; Y439-P560 WeakPolarHBondContact OH-CD 3.44Å; Y439-P560 WeakPolarHBondContact OH-CG 3.35Å
440S71.6Confident66.4Low27 Ų2767.4 Ų67.419%0.18938%0.376CS..EExtended strand (participates in β ladder)trans-88.6110.917658.30000109.6R539S440-R539 PolarHBondContact N-O 2.91Å; S440-R539 PolarHBondContact OG-O 2.9Å
441L65.2Low63.2Low22 Ų2273.4 Ų73.412%0.11541%0.411CS..EExtended strand (participates in β ladder)trans-91.7136.9173.4-161.667.6000109.1Y439 S443 Y463 T464 P560Y439-L441 HydrophobicContact CE1-CD1 4.2Å; L441-S443 PolarHBondContact O-N 2.8Å; L441-Y463 WeakPolarHBondContact O-CA 3.44Å; L441-T464 PolarHBondContact N-O 2.79Å; L441-T464 PolarHBondContact O-N 3.48Å; L441-P560 HydrophobicContact CD1-CB 3.49Å; L441-P560 VanDerWaalsContact CD1-CB 3.49Å
442K61.7Low60Low115 Ų11578.6 Ų78.650%0.545%0.447SS..EExtended strand (participates in β ladder)trans-70.8120166.3-76-169.7176.4-146.80107.1E461 Y463K442-E461 VanDerWaalsContact NZ-CD 3.34Å; K442-E461 IonicContact NZ-OE1 3.69Å; K442-E461 PolarHBondContact NZ-OE1 2.86Å; K442-E461 IonicContact NZ-OE2 3.07Å; K442-E461 PolarHBondContact NZ-OE2 3.3Å; K442-E461 VanDerWaalsContact NZ-OE2 3.09Å; K442-Y463 HydrophobicContact CD-CE1 4.18Å; K442-Y463 WeakPolarHBondContact CE-OH 3.46Å; K442-Y463 HydrophobicContact CG-CD1 3.85Å; K442-Y463 HydrophobicContact CG-CE1 3.37Å; K442-Y463 PolarHBondContact NZ-OH 3.02Å
443S51.7Low56.8Low46 Ų4680.1 Ų80.132%0.32247%0.471SS..PPolyproline II helixtrans-61131.8171.762.50000108.5L441 I445 S462L441-S443 PolarHBondContact O-N 2.8Å; S443-I445 PolarHBondContact O-N 2.91Å; S443-I445 VanDerWaalsContact O-N 3.16Å; S443-S462 PolarHBondContact N-O 2.88Å; S443-S462 PolarHBondContact OG-O 2.98Å; S443-S462 VanDerWaalsContact OG-O 3.06Å
444P44Very low53.6Low117 Ų11783.9 Ų83.976%0.7650%0.501SS*.PPolyproline II helixtrans-56.6125.8168.522.9-30.1000107.7S446P444-S446 PolarHBondContact O-N 2.77Å
445I39.5Very low50.5Low161 Ų16192.2 Ų92.283%0.82654%0.539SS*.  trans-55.3113.2170.8-61.3165.7000105.3S443 S447S443-I445 PolarHBondContact O-N 2.91Å; S443-I445 VanDerWaalsContact O-N 3.16Å; I445-S447 PolarHBondContact O-N 2.94Å
446S34.8Very low47.2Very low91 Ų9193.4 Ų93.464%0.63657%0.568SS**  trans-57.1109172.6420000107.2P444 S448P444-S446 PolarHBondContact O-N 2.77Å; S446-S448 PolarHBondContact O-N 2.93Å
447S29.6Very low44.1Very low126 Ų12699.8 Ų99.888%0.88160%0.603SS**SBendtrans-74.541.3-179.959.80000111.9I445I445-S447 PolarHBondContact O-N 2.94Å
448S28Very low41.1Very low97 Ų97108.9 Ų108.968%0.67864%0.642SS**  trans-127.549.2178.170.30000110.3S446S446-S448 PolarHBondContact O-N 2.93Å
449Q29.5Very low38.7Very low182 Ų182112.9 Ų112.985%0.8567%0.67SS**  trans-127.5101156.5-80.6-173.6-7.800107.6
450S27.3Very low36.9Very low109 Ų109118.2 Ų118.276%0.76271%0.708SS**  trans-43.5137.316842.50000111.4S452S450-S452 PolarHBondContact O-N 2.98Å
451L25.6Very low35.2Very low182 Ų182122.2 Ų122.295%0.95372%0.724SS**  trans-41.8110171.2-80.880.2000110.7
452S28.3Very low34.2Very low109 Ų109125 Ų12576%0.76275%0.745SS**  trans-132.6118.6150.855.90000107.2S450 S454S450-S452 PolarHBondContact O-N 2.98Å; S452-S454 PolarHBondContact O-N 3.38Å
453S26.4Very low33.5Very low119 Ų119124.4 Ų124.483%0.83274%0.74SS**  trans-56.6120.5175.6480000111.4
454S28.9Very low33.9Very low106 Ų106125.1 Ų125.174%0.74174%0.743SS**  trans178.7134.9131.654.80000111.3S452S452-S454 PolarHBondContact O-N 3.38Å
455E31.4Very low34.4Very low184 Ų184123.1 Ų123.186%0.8673%0.729SS**  trans47.6100.7144.3-58.6-171.2165.900119.9L457E455-L457 PolarHBondContact O-N 2.82Å
456G27.2Very low35.8Very low88 Ų88118.2 Ų118.291%0.90770%0.702SS**  64.323.5122.200000119
457L27.9Very low38.1Very low161 Ų161115 Ų11584%0.84368%0.679SS**  trans-88.4115.2174.4-149.972.3000110.1E455 T459E455-L457 PolarHBondContact O-N 2.82Å; L457-T459 PolarHBondContact O-N 3.34Å
458K28.7Very low41Very low195 Ų195109 Ų10985%0.84864%0.637SS**  trans-48.8106.5169.1-67.4175.6-179.1175.40107.7S460K458-S460 VanDerWaalsContact C-N 3.3Å; K458-S460 PolarHBondContact O-N 3.49Å
459T30.5Very low44.2Very low127 Ų127104.3 Ų104.378%0.77961%0.605SS**  trans-63.296.5173.951.20000106.9L457 E461L457-T459 PolarHBondContact O-N 3.34Å; T459-E461 PolarHBondContact O-N 2.93Å
460S37.7Very low47.4Very low118 Ų11895.7 Ų95.783%0.82557%0.565SS**  trans-62.794.4167.6-83.40000106.6K458 S462K458-S460 VanDerWaalsContact C-N 3.3Å; K458-S460 PolarHBondContact O-N 3.49Å; S460-S462 PolarHBondContact O-N 3.14Å
461E36.1Very low50.7Low112 Ų11290.5 Ų90.552%0.52353%0.528SS..  trans-51.8113171.7-67.5-172.4143.400107.8K442 T459 Y463K442-E461 VanDerWaalsContact NZ-CD 3.34Å; K442-E461 IonicContact NZ-OE1 3.69Å; K442-E461 PolarHBondContact NZ-OE1 2.86Å; K442-E461 IonicContact NZ-OE2 3.07Å; K442-E461 PolarHBondContact NZ-OE2 3.3Å; K442-E461 VanDerWaalsContact NZ-OE2 3.09Å; T459-E461 PolarHBondContact O-N 2.93Å; E461-Y463 HydrophobicContact CB-CD2 4.31Å; E461-Y463 HydrophobicContact CB-CE2 3.71Å; E461-Y463 WeakPolarHBondContact O-CD2 3.13Å; E461-Y463 PolarHBondContact O-N 3.13Å; E461-Y463 PolarHBondContact OE2-OH 3.07Å
462S42.5Very low54.1Low80 Ų8081.8 Ų81.856%0.55948%0.483SS*.PPolyproline II helixtrans-79.8117.4175.1-166.90000108.1S443 S460S443-S462 PolarHBondContact N-O 2.88Å; S443-S462 PolarHBondContact OG-O 2.98Å; S443-S462 VanDerWaalsContact OG-O 3.06Å; S460-S462 PolarHBondContact O-N 3.14Å
463Y48.8Very low57.2Low102 Ų10276.6 Ų76.640%0.445%0.447SS..EExtended strand (participates in β ladder)trans-98121.7170.9-68.2-99.8000107.7L441 K442 E461L441-Y463 WeakPolarHBondContact O-CA 3.44Å; K442-Y463 HydrophobicContact CD-CE1 4.18Å; K442-Y463 WeakPolarHBondContact CE-OH 3.46Å; K442-Y463 HydrophobicContact CG-CD1 3.85Å; K442-Y463 HydrophobicContact CG-CE1 3.37Å; K442-Y463 PolarHBondContact NZ-OH 3.02Å; E461-Y463 HydrophobicContact CB-CD2 4.31Å; E461-Y463 HydrophobicContact CB-CE2 3.71Å; E461-Y463 WeakPolarHBondContact O-CD2 3.13Å; E461-Y463 PolarHBondContact O-N 3.13Å; E461-Y463 PolarHBondContact OE2-OH 3.07Å
464T58.4Low60.3Low62 Ų6271.4 Ų71.438%0.3841%0.409SS..EExtended strand (participates in β ladder)trans-83.6121.7167.9510000107.5L441 E466L441-T464 PolarHBondContact N-O 2.79Å; L441-T464 PolarHBondContact O-N 3.48Å; T464-E466 PolarHBondContact O-N 2.77Å
465V56Low63.3Low75 Ų7566.9 Ų66.946%0.45538%0.377SS..EExtended strand (participates in β ladder)trans-89.1108.2174.1-179.60000107.1K438K438-V465 HydrophobicContact CB-CG1 4.49Å
466E69.2Low65.9Low58 Ų5860.2 Ų60.227%0.27135%0.347SS..EExtended strand (participates in β ladder)trans-90.4132.9174.9-70.8-179.9178.200109.6Y439 T464 M468Y439-E466 PolarHBondContact N-O 3.32Å; Y439-E466 PolarHBondContact O-N 3.24Å; T464-E466 PolarHBondContact O-N 2.77Å; E466-M468 HydrophobicContact CB-CE 4.14Å; E466-M468 HydrophobicContact CB-CG 4.47Å; E466-M468 PolarHBondContact O-N 2.97Å; E466-M468 VanDerWaalsContact OE2-CE 3.29Å; E466-M468 WeakPolarHBondContact OE2-CE 3.41Å
467S81.3Confident68.6Low22 Ų2260.6 Ų60.615%0.15434%0.335CS..EExtended strand (participates in β ladder)trans-81.6110.3167.3-720000107.8V491S467-V491 WeakPolarHBondContact O-CB 3.37Å; S467-V491 PolarHBondContact O-N 3.23Å; S467-V491 VanDerWaalsContact O-N 3.1Å
468M91.3Very high71.2Confident0 Ų055.2 Ų55.20%031%0.314CS..EExtended strand (participates in β ladder)trans-105.4152.4176.6-64.3179.9179.100110F436 M437 Y439 E466 V488 W489 F519 L558F436-M468 WeakPolarHBondContact CA-O 3.33Å; M437-M468 HydrophobicContact CB-CB 4.3Å; M437-M468 HydrophobicContact CE-CB 4.47Å; M437-M468 HydrophobicContact CE-SD 3.75Å; M437-M468 PolarHBondContact N-O 2.64Å; M437-M468 PolarHBondContact O-N 3.39Å; M437-M468 VanDerWaalsContact O-O 3.12Å; Y439-M468 HydrophobicContact CD1-CE 3.84Å; Y439-M468 HydrophobicContact CD1-SD 4.2Å; Y439-M468 HydrophobicContact CG-CE 4.43Å; Y439-M468 HydrophobicContact CG-SD 4.3Å; E466-M468 HydrophobicContact CB-CE 4.14Å; E466-M468 HydrophobicContact CB-CG 4.47Å; E466-M468 PolarHBondContact O-N 2.97Å; E466-M468 VanDerWaalsContact OE2-CE 3.29Å; E466-M468 WeakPolarHBondContact OE2-CE 3.41Å; M468-V488 HydrophobicContact CB-CG1 3.94Å; M468-V488 HydrophobicContact CG-CG1 4.3Å; M468-V488 HydrophobicContact SD-CG1 3.9Å; M468-W489 CarbonylContact C-O 3.52Å; M468-W489 VanDerWaalsContact CA-O 3.31Å; M468-W489 WeakPolarHBondContact CA-O 3.15Å; M468-F519 HydrophobicContact CE-CD1 4.04Å; M468-F519 HydrophobicContact CE-CD2 3.92Å; M468-F519 HydrophobicContact CE-CE1 3.7Å; M468-F519 HydrophobicContact CE-CE2 3.52Å; M468-F519 HydrophobicContact CE-CG 4.13Å; M468-F519 HydrophobicContact CE-CZ 3.37Å; M468-F519 HydrophobicContact SD-CD1 4.31Å; M468-F519 HydrophobicContact SD-CE1 4.31Å; M468-L558 HydrophobicContact CE-CD2 4.39Å; M468-L558 HydrophobicContact SD-CD2 3.62Å
469L94.6Very high73.8Confident0 Ų049.1 Ų49.10%029%0.291CS..EExtended strand (participates in β ladder)trans-119.5120.1174.9178.861.4000108.9T276 A295 L306 V308 C434 F436 T471 W489 V491 L516T276-L469 HydrophobicContact CG2-CD1 3.84Å; A295-L469 HydrophobicContact CB-CD1 3.89Å; A295-L469 HydrophobicContact CB-CD2 3.75Å; L306-L469 HydrophobicContact CD1-CD2 4.34Å; L306-L469 HydrophobicContact CD2-CD2 3.65Å; L306-L469 HydrophobicContact CD2-CG 4.49Å; L306-L469 HydrophobicContact CG-CD2 4.26Å; V308-L469 HydrophobicContact CG2-CD2 3.84Å; C434-L469 HydrophobicContact CB-CD1 4.22Å; F436-L469 HydrophobicContact CD1-CB 4.26Å; F436-L469 HydrophobicContact CD1-CD1 3.99Å; F436-L469 HydrophobicContact CD2-CD1 4.49Å; F436-L469 HydrophobicContact CE1-CB 4.21Å; F436-L469 HydrophobicContact CE1-CD1 4.02Å; F436-L469 HydrophobicContact CG-CD1 4.23Å; F436-L469 HydrophobicContact CZ-CD1 4.29Å; L469-T471 HydrophobicContact CG-CG2 4.13Å; L469-W489 HydrophobicContact CB-CB 4.31Å; L469-W489 PolarHBondContact N-O 2.84Å; L469-W489 VanDerWaalsContact O-CD1 3.27Å; L469-W489 PolarHBondContact O-N 3.37Å; L469-V491 HydrophobicContact CB-CG2 3.59Å; L469-L516 HydrophobicContact CD2-CD1 4.43Å
470V96.6Very high76.1Confident0 Ų054.1 Ų54.10%030%0.295CS..EExtended strand (participates in β ladder)trans-96.8133.8179.1-173.30000108.5C434 Q435 M437 L486 V488 L533 V535 I544C434-V470 CarbonylContact C-O 3.54Å; C434-V470 VanDerWaalsContact CA-O 3.28Å; C434-V470 WeakPolarHBondContact CA-O 3.36Å; Q435-V470 PolarHBondContact N-O 3.24Å; Q435-V470 PolarHBondContact O-N 2.78Å; M437-V470 HydrophobicContact CB-CG2 3.91Å; M437-V470 HydrophobicContact SD-CG2 4.43Å; V470-L486 HydrophobicContact CG1-CD1 3.73Å; V470-V488 HydrophobicContact CG1-CG2 4.43Å; V470-V488 HydrophobicContact CG2-CG2 4.2Å; V470-L533 HydrophobicContact CB-CD2 4.34Å; V470-L533 HydrophobicContact CG1-CD1 4Å; V470-L533 HydrophobicContact CG1-CD2 4.06Å; V470-V535 HydrophobicContact CB-CG2 4.03Å; V470-V535 HydrophobicContact CG2-CG2 3.82Å; V470-I544 HydrophobicContact CG1-CD1 3.88Å; V470-I544 HydrophobicContact CG1-CG1 4.31Å; V470-I544 HydrophobicContact CG1-CG2 3.84Å; V470-I544 HydrophobicContact CG2-CD1 3.94Å; V470-I544 HydrophobicContact CG2-CG1 4.31Å
471T97.3Very high78.3Confident0 Ų057 Ų570%029%0.288CS..EExtended strand (participates in β ladder)trans-140.5153.1179.7640000113L306 H433 C434 L469 V487 W489L306-T471 HydrophobicContact CD1-CG2 4.35Å; L306-T471 HydrophobicContact CD2-CG2 3.66Å; H433-T471 WeakPolarHBondContact O-CA 3.42Å; H433-T471 WeakPolarHBondContact O-CB 3.46Å; C434-T471 HydrophobicContact CB-CG2 3.88Å; L469-T471 HydrophobicContact CG-CG2 4.13Å; T471-V487 PolarHBondContact N-O 2.79Å; T471-V487 PolarHBondContact O-N 2.86Å; T471-V487 PolarHBondContact OG1-O 2.85Å; T471-W489 PolarHBondContact OG1-NE1 3.31Å
472T96.3Very high80.7Confident0 Ų052.1 Ų52.10%027%0.266CS..EExtended strand (participates in β ladder)trans-107.9137.2170.161.70000110.8R432 H433 L486 P530 L533R432-T472 PolarHBondContact N-O 3.27Å; H433-T472 HydrophobicContact CB-CG2 4.49Å; H433-T472 WeakPolarHBondContact CB-OG1 3.28Å; H433-T472 PolarHBondContact CD2-OG1 3.36Å; H433-T472 VanDerWaalsContact CD2-OG1 3.27Å; H433-T472 PolarHBondContact N-OG1 3.23Å; H433-T472 VanDerWaalsContact N-OG1 3.16Å; H433-T472 PolarHBondContact O-N 3.26Å; T472-L486 HydrophobicContact CG2-CD1 4.14Å; T472-P530 HydrophobicContact CG2-CB 3.9Å; T472-P530 HydrophobicContact CG2-CG 4.3Å; T472-L533 HydrophobicContact CG2-CB 4.46Å; T472-L533 HydrophobicContact CG2-CD1 4.22Å
473I94.5Very high83Confident0 Ų050.9 Ų50.90%025%0.251CS..EExtended strand (participates in β ladder)trans-119.4132.2177.9-53.9179.6000108L398 Y429 R430 F431 S484 R485 V487L398-I473 HydrophobicContact CD1-CD1 3.77Å; L398-I473 HydrophobicContact CD2-CD1 3.92Å; Y429-I473 HydrophobicContact CD1-CG2 3.82Å; Y429-I473 HydrophobicContact CG-CG2 4.24Å; R430-I473 WeakPolarHBondContact O-CA 3.38Å; F431-I473 HydrophobicContact CD1-CD1 4.19Å; F431-I473 HydrophobicContact CD1-CG1 3.68Å; F431-I473 HydrophobicContact CE1-CD1 3.6Å; F431-I473 HydrophobicContact CE1-CG1 3.63Å; F431-I473 HydrophobicContact CZ-CD1 4.14Å; I473-S484 CarbonylContact O-C 3.59Å; I473-S484 WeakPolarHBondContact O-CA 3.26Å; I473-S484 WeakPolarHBondContact O-CB 2.99Å; I473-R485 HydrophobicContact CB-CB 4.34Å; I473-R485 PolarHBondContact N-O 2.78Å; I473-R485 PolarHBondContact O-N 3.04Å; I473-V487 HydrophobicContact CD1-CG2 3.7Å; I473-V487 HydrophobicContact CG1-CG2 4.28Å
474Q91.9Very high85.1Confident9 Ų946 Ų464%0.04223%0.232CC..EExtended strand (participates in β ladder)trans-135.9151.7-179.966.3176-10.600111.8Y429 R430 R432 P530Y429-Q474 WeakPolarHBondContact CA-O 3.49Å; R430-Q474 HydrophobicContact CG-CG 4Å; R430-Q474 PolarHBondContact N-O 3.19Å; R430-Q474 PolarHBondContact O-N 3.46Å; R432-Q474 HydrophobicContact CB-CG 4.16Å; R432-Q474 VanDerWaalsContact CG-NE2 3.27Å; Q474-P530 HydrophobicContact CB-CG 4.31Å
475P90.7Very high86.7Confident11 Ų1143.9 Ų43.97%0.07122%0.217CC..EExtended strand (participates in β ladder)trans-67.6149178.126.6-32.7000111.4N428 Y429 A478 L529N428-P475 CarbonylContact O-C 3.49Å; N428-P475 VanDerWaalsContact O-CA 3.3Å; N428-P475 WeakPolarHBondContact O-CA 3.31Å; Y429-P475 HydrophobicContact CD1-CB 4.3Å; Y429-P475 HydrophobicContact CE1-CB 3.96Å; Y429-P475 HydrophobicContact CE1-CG 4.4Å; P475-A478 HydrophobicContact CG-CB 4.16Å; P475-L529 HydrophobicContact CG-CD2 4.26Å
476L85.7Confident88.7Confident45 Ų4540.3 Ų40.324%0.23620%0.195CC..SBendtrans-69.7-45.8178.8-62.8-176000112.1W303 S427 N428 R430W303-L476 HydrophobicContact CD2-CD2 4Å; W303-L476 HydrophobicContact CE3-CD2 4.1Å; W303-L476 HydrophobicContact CH2-CB 4.34Å; W303-L476 HydrophobicContact CH2-CD1 3.84Å; W303-L476 HydrophobicContact CH2-CD2 3.19Å; W303-L476 HydrophobicContact CH2-CG 3.93Å; W303-L476 HydrophobicContact CZ2-CD1 3.32Å; W303-L476 HydrophobicContact CZ2-CD2 3.29Å; W303-L476 HydrophobicContact CZ2-CG 3.84Å; W303-L476 HydrophobicContact CZ3-CD2 3.71Å; S427-L476 WeakPolarHBondContact O-CD1 3.49Å; N428-L476 PolarHBondContact O-N 3.43Å; R430-L476 HydrophobicContact CB-CD2 3.68Å; R430-L476 HydrophobicContact CG-CD2 3.69Å
477C83.6Confident89.9Confident95 Ų9537.5 Ų37.564%0.64218%0.182SC*.SBendtrans-105.878.4174.7-63.60000107.8
478A83.1Confident90.6Very high49 Ų4936.5 Ų36.541%0.40518%0.175SC..  trans-65.3136.2177.500000111.1P475 L529P475-A478 HydrophobicContact CG-CB 4.16Å; A478-L529 HydrophobicContact CB-CD1 3.36Å; A478-L529 HydrophobicContact CB-CD2 3.7Å; A478-L529 HydrophobicContact CB-CG 4.09Å
479N83Confident90.7Very high67 Ų6736.6 Ų36.636%0.35818%0.175SC..  trans-136.2173172.167.632.8000109.2R481 S482N479-R481 PolarHBondContact O-N 3.28Å; N479-R481 VanDerWaalsContact OD1-C 3.24Å; N479-R481 VanDerWaalsContact OD1-CA 3.23Å; N479-R481 WeakPolarHBondContact OD1-CA 3.44Å; N479-R481 WeakPolarHBondContact OD1-CB 3.47Å; N479-R481 PolarHBondContact OD1-N 2.92Å; N479-S482 PolarHBondContact N-OG 2.68Å; N479-S482 VanDerWaalsContact N-OG 3.09Å; N479-S482 VanDerWaalsContact O-CB 3.31Å; N479-S482 WeakPolarHBondContact O-CB 3.44Å; N479-S482 PolarHBondContact O-N 2.82Å; N479-S482 PolarHBondContact O-OG 3.1Å; N479-S482 WeakPolarHBondContact OD1-CB 3.24Å; N479-S482 PolarHBondContact OD1-N 2.95Å
480R79.6Confident90.5Very high231 Ų23138.4 Ų38.487%0.87219%0.188SC*.THydrogen-bonded Turntrans-60.2-15.8179-66.7-174.4180176.20.2114.2
481R84.5Confident90.1Very high179 Ų17938.8 Ų38.868%0.67519%0.19SC*.THydrogen-bonded Turntrans-99.9-3.3178-62.2-175.5179.1-168.9-0.4113.4N479 F483 Q526N479-R481 PolarHBondContact O-N 3.28Å; N479-R481 VanDerWaalsContact OD1-C 3.24Å; N479-R481 VanDerWaalsContact OD1-CA 3.23Å; N479-R481 WeakPolarHBondContact OD1-CA 3.44Å; N479-R481 WeakPolarHBondContact OD1-CB 3.47Å; N479-R481 PolarHBondContact OD1-N 2.92Å; R481-F483 WeakPolarHBondContact O-CE2 3.47Å; R481-Q526 PolarHBondContact O-NE2 3.19Å
482S86Confident89.3Confident10 Ų1040.5 Ų40.57%0.0720%0.201CC..  trans-82.1148.8-171.774.30000110.9N479 G527N479-S482 PolarHBondContact N-OG 2.68Å; N479-S482 VanDerWaalsContact N-OG 3.09Å; N479-S482 VanDerWaalsContact O-CB 3.31Å; N479-S482 WeakPolarHBondContact O-CB 3.44Å; N479-S482 PolarHBondContact O-N 2.82Å; N479-S482 PolarHBondContact O-OG 3.1Å; N479-S482 WeakPolarHBondContact OD1-CB 3.24Å; N479-S482 PolarHBondContact OD1-N 2.95Å; S482-G527 PolarHBondContact O-N 3.29Å
483F90.2Very high88.1Confident54 Ų5442.3 Ų42.324%0.23721%0.21CC..  trans-115133.6-178.7-67.6-84.9000109.8Y429 R481 T523 Q526Y429-F483 VanDerWaalsContact CE1-O 3.27Å; Y429-F483 WeakPolarHBondContact CE1-O 2.89Å; Y429-F483 PolarHBondContact OH-O 2.9Å; R481-F483 WeakPolarHBondContact O-CE2 3.47Å; F483-T523 HydrophobicContact CB-CG2 3.88Å; F483-T523 HydrophobicContact CD1-CG2 3.66Å; F483-T523 HydrophobicContact CG-CG2 4.08Å; F483-Q526 HydrophobicContact CD1-CB 4.06Å; F483-Q526 HydrophobicContact CD1-CG 4.25Å; F483-Q526 HydrophobicContact CE1-CB 3.5Å; F483-Q526 VanDerWaalsContact CE1-CB 3.5Å; F483-Q526 HydrophobicContact CE1-CG 3.74Å; F483-Q526 HydrophobicContact CE2-CG 4.07Å; F483-Q526 HydrophobicContact CZ-CB 3.87Å; F483-Q526 HydrophobicContact CZ-CG 3.63Å
484S92.9Very high86.6Confident0 Ų042.9 Ų42.90%021%0.213CC..  trans-101.1165.5169.8-55.60000109.5I473 L524 H528 L529 P530I473-S484 CarbonylContact O-C 3.59Å; I473-S484 WeakPolarHBondContact O-CA 3.26Å; I473-S484 WeakPolarHBondContact O-CB 2.99Å; S484-L524 WeakPolarHBondContact O-CB 3.05Å; S484-L524 PolarHBondContact O-N 3.28Å; S484-H528 PolarHBondContact OG-O 3.04Å; S484-L529 WeakPolarHBondContact OG-CD2 3.37Å; S484-P530 WeakPolarHBondContact OG-CD 3.39Å
485R93.5Very high85.1Confident16 Ų1644.9 Ų44.96%0.0623%0.228CC..EExtended strand (participates in β ladder)trans-134.6146.6-177-74162.1171.1-141.76111S399 I473 V487 E521 I522S399-R485 PolarHBondContact O-NH1 2.83Å; I473-R485 HydrophobicContact CB-CB 4.34Å; I473-R485 PolarHBondContact N-O 2.78Å; I473-R485 PolarHBondContact O-N 3.04Å; R485-V487 HydrophobicContact CB-CG2 4.36Å; R485-E521 WeakPolarHBondContact CD-OE1 3.43Å; R485-E521 IonicContact CZ-OE1 3.85Å; R485-E521 VanDerWaalsContact CZ-OE1 3.26Å; R485-E521 IonicContact NE-OE1 2.76Å; R485-E521 PolarHBondContact NE-OE1 2.7Å; R485-E521 IonicContact NH1-OE1 3.11Å; R485-E521 PolarHBondContact NH1-OE1 3.41Å; R485-E521 IonicContact NH1-OE2 2.76Å; R485-I522 WeakPolarHBondContact CA-O 3.15Å
486L96.4Very high83.3Confident0 Ų050 Ų500%025%0.251CS..EExtended strand (participates in β ladder)trans-110.4124.7168.2175.167.8000107.7V470 T472 E521 I522 L524 L533 I544 V546 Y556 L565V470-L486 HydrophobicContact CG1-CD1 3.73Å; T472-L486 HydrophobicContact CG2-CD1 4.14Å; L486-E521 WeakPolarHBondContact O-CA 3.36Å; L486-I522 HydrophobicContact CB-CG2 3.9Å; L486-I522 HydrophobicContact CD2-CG2 4.21Å; L486-I522 HydrophobicContact CG-CG2 4.45Å; L486-I522 PolarHBondContact N-O 3.09Å; L486-I522 PolarHBondContact O-N 2.98Å; L486-L524 HydrophobicContact CB-CD2 4.19Å; L486-L533 HydrophobicContact CD1-CD1 4.06Å; L486-I544 HydrophobicContact CD1-CG2 4.1Å; L486-I544 HydrophobicContact CD2-CG2 3.96Å; L486-V546 HydrophobicContact CD1-CG2 4.21Å; L486-V546 HydrophobicContact CD2-CG2 4.12Å; L486-Y556 HydrophobicContact CD2-CD2 3.67Å; L486-Y556 HydrophobicContact CD2-CE2 4.26Å; L486-Y556 HydrophobicContact CD2-CG 3.87Å; L486-L565 HydrophobicContact CD2-CD1 4.11Å; L486-L565 HydrophobicContact CG-CD1 4.12Å
487V95.4Very high81.6Confident0 Ų049.6 Ų49.60%025%0.254CS..EExtended strand (participates in β ladder)trans-128.6130.6-174.5-170.70000109.7L398 T471 I473 R485 W489 T518 E521L398-V487 HydrophobicContact CD2-CG2 3.95Å; T471-V487 PolarHBondContact N-O 2.79Å; T471-V487 PolarHBondContact O-N 2.86Å; T471-V487 PolarHBondContact OG1-O 2.85Å; I473-V487 HydrophobicContact CD1-CG2 3.7Å; I473-V487 HydrophobicContact CG1-CG2 4.28Å; R485-V487 HydrophobicContact CB-CG2 4.36Å; V487-W489 HydrophobicContact CB-CZ2 4.21Å; V487-W489 HydrophobicContact CG1-CD2 3.99Å; V487-W489 VanDerWaalsContact CG1-CE2 3.5Å; V487-W489 HydrophobicContact CG1-CG 4.46Å; V487-W489 HydrophobicContact CG1-CH2 4.22Å; V487-W489 HydrophobicContact CG1-CZ2 3.62Å; V487-T518 HydrophobicContact CG1-CG2 3.79Å; V487-E521 HydrophobicContact CG2-CG 4.07Å
488V94.9Very high79.8Confident0 Ų049.4 Ų49.40%025%0.25CS..EExtended strand (participates in β ladder)trans-104.6122.8170.1-176.90000107.7M468 V470 F519 A520 I544 L558 L565M468-V488 HydrophobicContact CB-CG1 3.94Å; M468-V488 HydrophobicContact CG-CG1 4.3Å; M468-V488 HydrophobicContact SD-CG1 3.9Å; V470-V488 HydrophobicContact CG1-CG2 4.43Å; V470-V488 HydrophobicContact CG2-CG2 4.2Å; V488-F519 HydrophobicContact CG1-CB 4.36Å; V488-F519 HydrophobicContact CG1-CD1 4.42Å; V488-F519 WeakPolarHBondContact O-CA 3.5Å; V488-F519 WeakPolarHBondContact O-CB 3.15Å; V488-F519 PolarHBondContact O-N 3.14Å; V488-A520 HydrophobicContact CB-CB 4.39Å; V488-A520 PolarHBondContact N-O 3.43Å; V488-A520 PolarHBondContact O-N 2.87Å; V488-I544 HydrophobicContact CG2-CD1 3.7Å; V488-L558 HydrophobicContact CG1-CD2 4.21Å; V488-L565 HydrophobicContact CG2-CD1 4.11Å; V488-L565 HydrophobicContact CG2-CD2 4.11Å; V488-L565 HydrophobicContact CG2-CG 4.5Å
489W93.9Very high77.5Confident3 Ų352.2 Ų52.21%0.01126%0.262CS..EExtended strand (participates in β ladder)trans-102139.3178.8-53.792.8000110.1A393 L398 F431 M468 L469 T471 V487 L516 T518A393-W489 HydrophobicContact CB-CD2 4.33Å; A393-W489 HydrophobicContact CB-CE3 4.17Å; A393-W489 HydrophobicContact CB-CH2 3.84Å; A393-W489 HydrophobicContact CB-CZ2 4Å; A393-W489 HydrophobicContact CB-CZ3 3.91Å; L398-W489 HydrophobicContact CD1-CH2 3.9Å; L398-W489 HydrophobicContact CD1-CZ2 4.25Å; L398-W489 HydrophobicContact CD2-CH2 4.35Å; L398-W489 HydrophobicContact CG-CH2 4.21Å; F431-W489 AromaticContact CE1-CZ2 3.85Å; F431-W489 HydrophobicContact CE1-CZ2 3.85Å; F431-W489 AromaticContact CZ-CZ2 3.87Å; F431-W489 HydrophobicContact CZ-CZ2 3.87Å; M468-W489 CarbonylContact C-O 3.52Å; M468-W489 VanDerWaalsContact CA-O 3.31Å; M468-W489 WeakPolarHBondContact CA-O 3.15Å; L469-W489 HydrophobicContact CB-CB 4.31Å; L469-W489 PolarHBondContact N-O 2.84Å; L469-W489 VanDerWaalsContact O-CD1 3.27Å; L469-W489 PolarHBondContact O-N 3.37Å; T471-W489 PolarHBondContact OG1-NE1 3.31Å; V487-W489 HydrophobicContact CB-CZ2 4.21Å; V487-W489 HydrophobicContact CG1-CD2 3.99Å; V487-W489 VanDerWaalsContact CG1-CE2 3.5Å; V487-W489 HydrophobicContact CG1-CG 4.46Å; V487-W489 HydrophobicContact CG1-CH2 4.22Å; V487-W489 HydrophobicContact CG1-CZ2 3.62Å; W489-L516 HydrophobicContact CB-CB 4.43Å; W489-L516 HydrophobicContact CB-CD1 4.35Å; W489-L516 HydrophobicContact CD2-CB 4.36Å; W489-L516 HydrophobicContact CE3-CB 3.78Å; W489-L516 HydrophobicContact CG-CD1 4.47Å; W489-L516 HydrophobicContact CZ3-CB 4.46Å; W489-T518 HydrophobicContact CD2-CG2 4.49Å; W489-T518 HydrophobicContact CE3-CG2 3.76Å; W489-T518 HydrophobicContact CH2-CG2 3.65Å; W489-T518 HydrophobicContact CZ2-CG2 4.38Å; W489-T518 HydrophobicContact CZ3-CG2 3.3Å
490S90.6Very high75.3Confident38 Ų3855.7 Ų55.727%0.26628%0.281SS..EExtended strand (participates in β ladder)trans-82.5122.6167.8-174.20000109K517S490-K517 PolarHBondContact N-O 3.04Å
491V87.5Confident73.2Confident7 Ų750.7 Ų50.74%0.04227%0.267CS..  trans-104.6110.6-179.9-1710000109.4L293 V308 F436 S467 L469 L516L293-V491 HydrophobicContact CD1-CB 4.47Å; L293-V491 HydrophobicContact CD1-CG1 3.46Å; L293-V491 VanDerWaalsContact CD1-CG1 3.46Å; V308-V491 HydrophobicContact CG1-CG1 4.33Å; F436-V491 HydrophobicContact CE1-CG2 4.38Å; S467-V491 WeakPolarHBondContact O-CB 3.37Å; S467-V491 PolarHBondContact O-N 3.23Å; S467-V491 VanDerWaalsContact O-N 3.1Å; L469-V491 HydrophobicContact CB-CG2 3.59Å; V491-L516 HydrophobicContact CB-CD2 4.46Å; V491-L516 HydrophobicContact CG1-CD2 4.33Å; V491-L516 HydrophobicContact CG2-CD2 4.17Å
492P80.7Confident70.4Confident36 Ų3646.5 Ų46.523%0.23427%0.266CS..  trans-65142.5-17825.6-32000110.9Y390 I514Y390-P492 HydrophobicContact CE1-CG 4.43Å; Y390-P492 WeakPolarHBondContact CE1-O 2.99Å; Y390-P492 PolarHBondContact OH-O 3.43Å; P492-I514 HydrophobicContact CG-CD1 4.2Å; P492-I514 HydrophobicContact CG-CG2 4.1Å
493H71.5Confident67.7Low39 Ų3954.5 Ų54.518%0.18131%0.307CS..  trans-76.8137-177.4-153.552000110.9S281 S495 E496S281-H493 PolarHBondContact OG-CE1 2.84Å; S281-H493 PolarHBondContact OG-NE2 2.91Å; H493-S495 PolarHBondContact CD2-OG 3.23Å; H493-S495 VanDerWaalsContact CD2-OG 3.24Å; H493-S495 PolarHBondContact O-N 3.28Å; H493-S495 VanDerWaalsContact O-N 3.12Å; H493-E496 HydrophobicContact CB-CG 4.33Å; H493-E496 WeakPolarHBondContact O-CB 2.97Å; H493-E496 PolarHBondContact O-N 2.93Å
494P63.8Low64.8Low12 Ų1255.5 Ų55.58%0.07832%0.321CS..Hα-helixtrans-57.8-29.4-177.9-27.636.2000114.4Y291 L293 Y390 E496 A497Y291-P494 HydrophobicContact CD2-CB 4.48Å; Y291-P494 HydrophobicContact CG-CB 4.21Å; Y291-P494 HydrophobicContact CG-CG 4.42Å; L293-P494 HydrophobicContact CD2-CG 3.9Å; Y390-P494 HydrophobicContact CE2-CB 4.46Å; Y390-P494 HydrophobicContact CE2-CG 4.48Å; P494-E496 VanDerWaalsContact C-N 3.28Å; P494-E496 PolarHBondContact O-N 2.92Å; P494-A497 WeakPolarHBondContact O-CB 3.35Å; P494-A497 PolarHBondContact O-N 3.26Å
495S60.7Low61.7Low50 Ų5060.1 Ų60.135%0.3535%0.353SS..Hα-helixtrans-69.3-23.7177.166.70000113.6H493 A497 T498H493-S495 PolarHBondContact CD2-OG 3.23Å; H493-S495 VanDerWaalsContact CD2-OG 3.24Å; H493-S495 PolarHBondContact O-N 3.28Å; H493-S495 VanDerWaalsContact O-N 3.12Å; S495-A497 VanDerWaalsContact C-N 3.28Å; S495-T498 PolarHBondContact O-OG1 3.21Å
496E52.1Low58.8Low120 Ų12067.1 Ų67.156%0.56139%0.391SS*.Hα-helixtrans-73.5-26.1175.6-64.7175.7170.800111.1H493 P494 T499H493-E496 HydrophobicContact CB-CG 4.33Å; H493-E496 WeakPolarHBondContact O-CB 2.97Å; H493-E496 PolarHBondContact O-N 2.93Å; P494-E496 VanDerWaalsContact C-N 3.28Å; P494-E496 PolarHBondContact O-N 2.92Å; E496-T499 PolarHBondContact O-OG1 2.88Å
497A49.3Very low55.8Low35 Ų3573.4 Ų73.429%0.28943%0.425SS..Hα-helixtrans-71.6-37.3177.200000111.7P494 S495 T499 N500P494-A497 WeakPolarHBondContact O-CB 3.35Å; P494-A497 PolarHBondContact O-N 3.26Å; S495-A497 VanDerWaalsContact C-N 3.28Å; A497-T499 VanDerWaalsContact C-N 3.32Å; A497-T499 PolarHBondContact O-N 3.19Å; A497-N500 PolarHBondContact O-N 3.41Å
498T45.8Very low53.2Low92 Ų9281.2 Ų81.256%0.56447%0.465SS*.Hα-helixtrans-69.4-27.7-17855.90000112.9S495 N500 E501S495-T498 PolarHBondContact O-OG1 3.21Å; T498-N500 PolarHBondContact O-N 2.61Å; T498-E501 PolarHBondContact O-N 3.33Å; T498-E501 VanDerWaalsContact O-N 3.15Å
499T36.4Very low50.6Low107 Ų10787.6 Ų87.666%0.65649%0.493SS*.THydrogen-bonded Turntrans-65.3-21.5176.934.30000114.1E496 A497E496-T499 PolarHBondContact O-OG1 2.88Å; A497-T499 VanDerWaalsContact C-N 3.32Å; A497-T499 PolarHBondContact O-N 3.19Å
500N36.6Very low48.2Very low140 Ų14093.6 Ų93.675%0.74952%0.523SS*.THydrogen-bonded Turntrans-93.2-9.1176.3-71.8-16.8000113.4A497 T498 S502A497-N500 PolarHBondContact O-N 3.41Å; T498-N500 PolarHBondContact O-N 2.61Å; N500-S502 PolarHBondContact O-N 2.74Å
501E34.8Very low46.8Very low126 Ų12696.8 Ų96.859%0.58953%0.533SS*.  trans-99.757.4178.3-64.5-153.4149.300111.5T498 L503T498-E501 PolarHBondContact O-N 3.33Å; T498-E501 VanDerWaalsContact O-N 3.15Å; E501-L503 PolarHBondContact O-N 2.58Å
502S26.6Very low46.3Very low92 Ų92104.5 Ų104.564%0.64357%0.568SS**  trans-64.3119162.153.10000110N500 S504N500-S502 PolarHBondContact O-N 2.74Å; S502-S504 PolarHBondContact O-N 2.68Å
503L27.7Very low46.5Very low177 Ų177104.5 Ų104.593%0.92757%0.569SS**  trans4076.3158.2-70.294.6000116.1E501E501-L503 PolarHBondContact O-N 2.58Å
504S28.9Very low47.3Very low76 Ų76105.6 Ų105.653%0.53158%0.575SS.*  trans-13097.6153.273.40000110.7S502S502-S504 PolarHBondContact O-N 2.68Å
505S29.3Very low48.5Very low96 Ų96109 Ų10967%0.67159%0.59SS**  trans-43.5138.2166.848.50000113.9N507S505-N507 PolarHBondContact O-N 2.85Å; S505-N507 VanDerWaalsContact O-N 3.1Å
506N31.9Very low49.9Very low164 Ų164106.9 Ų106.988%0.87758%0.575SS**SBendtrans63.98.2146.6-65.7-6.4000121.4
507N32.8Very low51.7Low132 Ų132109.1 Ų109.171%0.70658%0.583SS**  trans-98.6118165.7-78-37.2000109.4S505 K509S505-N507 PolarHBondContact O-N 2.85Å; S505-N507 VanDerWaalsContact O-N 3.1Å; N507-K509 HydrophobicContact CB-CG 4.27Å; N507-K509 PolarHBondContact O-N 3.25Å
508I41.4Very low53.7Low164 Ų164111 Ų11184%0.84159%0.591SS**  trans-60.773.2161.1-55.4165.9000106M510I508-M510 PolarHBondContact O-N 2.68Å
509K40.2Very low55.7Low134 Ų134108.1 Ų108.158%0.58357%0.57SS**  trans-66.6111.2171.6-80.4178.6176.91700104.2N507 H511N507-K509 HydrophobicContact CB-CG 4.27Å; N507-K509 PolarHBondContact O-N 3.25Å; K509-H511 VanDerWaalsContact C-N 3.32Å; K509-H511 PolarHBondContact O-N 3.32Å
510M43.9Very low58.4Low129 Ų129103.3 Ų103.364%0.63554%0.541SS*.  trans-45104.3163.9-79.7-85.1138.300106.7I508 Q512I508-M510 PolarHBondContact O-N 2.68Å; M510-Q512 PolarHBondContact O-N 3.5Å
511H60.2Low61Low104 Ų10499.7 Ų99.748%0.48152%0.52SS..  trans-69.6102.1-172.8-148.4-68000106.4K509K509-H511 VanDerWaalsContact C-N 3.32Å; K509-H511 PolarHBondContact O-N 3.32Å
512Q77.7Confident63.8Low169 Ų16995.7 Ų95.779%0.7950%0.502SS*.PPolyproline II helixtrans-68.8125.9177.6-168.8170.31000107.2M510M510-Q512 PolarHBondContact O-N 3.5Å
513P84.4Confident67Low37 Ų3794.5 Ų94.524%0.2449%0.491CS..PPolyproline II helixtrans-65.1144.1-177.425.5-34.5000110.9P389 I392 Q515P389-P513 HydrophobicContact CG-CB 4.19Å; P389-P513 HydrophobicContact CG-CG 4.49Å; P389-P513 WeakPolarHBondContact O-CB 3.43Å; I392-P513 HydrophobicContact CD1-CB 4.37Å; I392-P513 HydrophobicContact CD1-CG 3.71Å; I392-P513 HydrophobicContact CG1-CB 4.06Å; I392-P513 HydrophobicContact CG1-CG 3.95Å; I392-P513 HydrophobicContact CG2-CB 3.85Å; I392-P513 HydrophobicContact CG2-CG 4.04Å; P513-Q515 PolarHBondContact O-N 3.03Å
514I88.4Confident70.1Confident61 Ų6186.2 Ų86.231%0.31345%0.448SS..EExtended strand (participates in β ladder)trans-69.5130.4177.4-59.7169.3000109.1Y390 A391 I392 P492 L516Y390-I514 HydrophobicContact CE2-CD1 3.91Å; Y390-I514 PolarHBondContact O-N 3.36Å; A391-I514 CarbonylContact C-O 3.47Å; A391-I514 WeakPolarHBondContact CA-O 3.48Å; A391-I514 HydrophobicContact CB-CB 4.17Å; A391-I514 VanDerWaalsContact CB-O 3.28Å; A391-I514 WeakPolarHBondContact CB-O 3.01Å; I392-I514 PolarHBondContact N-O 3.44Å; P492-I514 HydrophobicContact CG-CD1 4.2Å; P492-I514 HydrophobicContact CG-CG2 4.1Å; I514-L516 PolarHBondContact O-N 3.15Å
515Q90.2Very high73Confident84 Ų8484.6 Ų84.639%0.39344%0.435SS..EExtended strand (participates in β ladder)trans-75121.8171.7-172.767.719.200109.8I392 S397 P513I392-Q515 WeakPolarHBondContact O-CA 3.11Å; I392-Q515 PolarHBondContact O-OE1 2.94Å; S397-Q515 PolarHBondContact OG-NE2 2.96Å; P513-Q515 PolarHBondContact O-N 3.03Å
516L90.5Very high75.9Confident6 Ų684.7 Ų84.73%0.03143%0.425CS..PPolyproline II helixtrans-65.3135.4176.7-67.4176.1000110.8L306 V308 A391 I392 A393 L469 W489 V491 I514L306-L516 HydrophobicContact CD2-CD1 4.23Å; V308-L516 HydrophobicContact CG2-CD1 3.94Å; A391-L516 HydrophobicContact CB-CD2 3.76Å; A391-L516 HydrophobicContact CB-CG 4.07Å; I392-L516 PolarHBondContact O-N 3.37Å; A393-L516 HydrophobicContact CB-CB 4.15Å; A393-L516 HydrophobicContact CB-CD1 4.08Å; L469-L516 HydrophobicContact CD2-CD1 4.43Å; W489-L516 HydrophobicContact CB-CB 4.43Å; W489-L516 HydrophobicContact CB-CD1 4.35Å; W489-L516 HydrophobicContact CD2-CB 4.36Å; W489-L516 HydrophobicContact CE3-CB 3.78Å; W489-L516 HydrophobicContact CG-CD1 4.47Å; W489-L516 HydrophobicContact CZ3-CB 4.46Å; V491-L516 HydrophobicContact CB-CD2 4.46Å; V491-L516 HydrophobicContact CG1-CD2 4.33Å; V491-L516 HydrophobicContact CG2-CD2 4.17Å; I514-L516 PolarHBondContact O-N 3.15Å
517K89.1Confident78.4Confident167 Ų16777.8 Ų77.873%0.72639%0.393SS*.EExtended strand (participates in β ladder)trans-91.7136.3174.9-66.2-178.3-179.3176.90110S490 F519S490-K517 PolarHBondContact N-O 3.04Å; K517-F519 PolarHBondContact O-N 3.03Å
518T90.6Very high81.2Confident74 Ų7473.5 Ų73.545%0.45437%0.369SS..EExtended strand (participates in β ladder)trans-68.1123.417147.60000109.1L398 V487 W489L398-T518 HydrophobicContact CD2-CG2 4.48Å; V487-T518 HydrophobicContact CG1-CG2 3.79Å; W489-T518 HydrophobicContact CD2-CG2 4.49Å; W489-T518 HydrophobicContact CE3-CG2 3.76Å; W489-T518 HydrophobicContact CH2-CG2 3.65Å; W489-T518 HydrophobicContact CZ2-CG2 4.38Å; W489-T518 HydrophobicContact CZ3-CG2 3.3Å
519F89.4Confident83.6Confident31 Ų3167.1 Ų67.114%0.13634%0.336CS..EExtended strand (participates in β ladder)trans-88.2-45.9174.4-177.5-90.3000110.6M468 V488 K517 L558 H563M468-F519 HydrophobicContact CE-CD1 4.04Å; M468-F519 HydrophobicContact CE-CD2 3.92Å; M468-F519 HydrophobicContact CE-CE1 3.7Å; M468-F519 HydrophobicContact CE-CE2 3.52Å; M468-F519 HydrophobicContact CE-CG 4.13Å; M468-F519 HydrophobicContact CE-CZ 3.37Å; M468-F519 HydrophobicContact SD-CD1 4.31Å; M468-F519 HydrophobicContact SD-CE1 4.31Å; V488-F519 HydrophobicContact CG1-CB 4.36Å; V488-F519 HydrophobicContact CG1-CD1 4.42Å; V488-F519 WeakPolarHBondContact O-CA 3.5Å; V488-F519 WeakPolarHBondContact O-CB 3.15Å; V488-F519 PolarHBondContact O-N 3.14Å; K517-F519 PolarHBondContact O-N 3.03Å; F519-L558 HydrophobicContact CD1-CD1 4Å; F519-L558 HydrophobicContact CD1-CD2 4.04Å; F519-L558 HydrophobicContact CE1-CD1 3.87Å; F519-L558 HydrophobicContact CE1-CD2 3.74Å; F519-L558 HydrophobicContact CE1-CG 4.08Å; F519-H563 AromaticContact CD2-ND1 3.94Å; F519-H563 HydrophobicContact CE1-CB 4.38Å; F519-H563 AromaticContact CE1-ND1 3.45Å; F519-H563 WeakPolarHBondContact CE1-ND1 3.43Å; F519-H563 AromaticContact CE2-CE1 3.57Å; F519-H563 AromaticContact CE2-ND1 3.14Å; F519-H563 WeakPolarHBondContact CE2-ND1 3.25Å; F519-H563 AromaticContact CZ-CE1 3.46Å; F519-H563 VanDerWaalsContact CZ-CE1 3.46Å; F519-H563 WeakPolarHBondContact CZ-CE1 3.34Å; F519-H563 AromaticContact CZ-ND1 2.86Å; F519-H563 WeakPolarHBondContact CZ-ND1 3.27Å
520A91.4Very high86.3Confident6 Ų660.8 Ų60.85%0.0531%0.308CS..EExtended strand (participates in β ladder)trans-150.6148.6175.800000110.2V488 L558 H563 L565V488-A520 HydrophobicContact CB-CB 4.39Å; V488-A520 PolarHBondContact N-O 3.43Å; V488-A520 PolarHBondContact O-N 2.87Å; A520-L558 HydrophobicContact CB-CD1 3.51Å; A520-H563 VanDerWaalsContact CB-O 3.28Å; A520-H563 WeakPolarHBondContact CB-O 3.22Å; A520-L565 HydrophobicContact CB-CD1 4.29Å; A520-L565 HydrophobicContact CB-CG 3.98Å
521E92.1Very high88.8Confident64 Ų6455.6 Ų55.630%0.29929%0.286SS..EExtended strand (participates in β ladder)trans-142.2145.5178.2173.8174.7-17700109.9R485 L486 V487R485-E521 WeakPolarHBondContact CD-OE1 3.43Å; R485-E521 IonicContact CZ-OE1 3.85Å; R485-E521 VanDerWaalsContact CZ-OE1 3.26Å; R485-E521 IonicContact NE-OE1 2.76Å; R485-E521 PolarHBondContact NE-OE1 2.7Å; R485-E521 IonicContact NH1-OE1 3.11Å; R485-E521 PolarHBondContact NH1-OE1 3.41Å; R485-E521 IonicContact NH1-OE2 2.76Å; L486-E521 WeakPolarHBondContact O-CA 3.36Å; V487-E521 HydrophobicContact CG2-CG 4.07Å
522I93.7Very high90.5Very high42 Ų4251.2 Ų51.222%0.21527%0.267CS..EExtended strand (participates in β ladder)trans-141.7140.6169.2-171.2161.1000110.8R485 L486 Y556 L565R485-I522 WeakPolarHBondContact CA-O 3.15Å; L486-I522 HydrophobicContact CB-CG2 3.9Å; L486-I522 HydrophobicContact CD2-CG2 4.21Å; L486-I522 HydrophobicContact CG-CG2 4.45Å; L486-I522 PolarHBondContact N-O 3.09Å; L486-I522 PolarHBondContact O-N 2.98Å; I522-Y556 HydrophobicContact CD1-CD1 4.1Å; I522-Y556 HydrophobicContact CD1-CE1 3.89Å; I522-Y556 HydrophobicContact CG2-CD1 4.06Å; I522-Y556 HydrophobicContact CG2-CE1 4.05Å; I522-L565 HydrophobicContact CB-CB 3.96Å; I522-L565 HydrophobicContact CB-CD1 4.25Å; I522-L565 HydrophobicContact CD1-CB 4.48Å; I522-L565 WeakPolarHBondContact CD1-O 3.35Å; I522-L565 HydrophobicContact CG2-CB 3.76Å; I522-L565 HydrophobicContact CG2-CD1 3.64Å; I522-L565 HydrophobicContact CG2-CG 4.36Å
523T92.9Very high91.5Very high67 Ų6744.2 Ų44.241%0.41124%0.235SC..EExtended strand (participates in β ladder)trans-79125172.7-58.40000109.5F483F483-T523 HydrophobicContact CB-CG2 3.88Å; F483-T523 HydrophobicContact CD1-CG2 3.66Å; F483-T523 HydrophobicContact CG-CG2 4.08Å
524L93.1Very high92Very high4 Ų442.7 Ų42.72%0.02123%0.225CC..PPolyproline II helixtrans-71.9154.8173.9-61.7179.6000110.4S484 L486 P530 V546 Y556S484-L524 WeakPolarHBondContact O-CB 3.05Å; S484-L524 PolarHBondContact O-N 3.28Å; L486-L524 HydrophobicContact CB-CD2 4.19Å; L524-P530 HydrophobicContact CD1-CB 4.2Å; L524-P530 HydrophobicContact CD1-CG 4.19Å; L524-V546 HydrophobicContact CD1-CG1 4.34Å; L524-Y556 HydrophobicContact CD2-CE2 3.91Å; L524-Y556 WeakPolarHBondContact CD2-OH 3.25Å
525P90.5Very high92.3Very high41 Ų4140.4 Ų40.427%0.26621%0.214SC..PPolyproline II helixtrans-55.7145.1-179.3-32.443.8000113.6G527 H528 R552P525-G527 PolarHBondContact O-N 3.27Å; P525-H528 WeakPolarHBondContact O-CB 3.47Å; P525-H528 PolarHBondContact O-N 3.24Å; P525-H528 VanDerWaalsContact O-N 3.1Å; P525-R552 VanDerWaalsContact CB-NH1 3.31Å
526Q89.1Confident92.4Very high98 Ų9836.8 Ų36.846%0.45820%0.197SC..THydrogen-bonded Turntrans-59135.2-172.2-165.6177.433.700112R481 F483 H528R481-Q526 PolarHBondContact O-NE2 3.19Å; F483-Q526 HydrophobicContact CD1-CB 4.06Å; F483-Q526 HydrophobicContact CD1-CG 4.25Å; F483-Q526 HydrophobicContact CE1-CB 3.5Å; F483-Q526 VanDerWaalsContact CE1-CB 3.5Å; F483-Q526 HydrophobicContact CE1-CG 3.74Å; F483-Q526 HydrophobicContact CE2-CG 4.07Å; F483-Q526 HydrophobicContact CZ-CB 3.87Å; F483-Q526 HydrophobicContact CZ-CG 3.63Å; Q526-H528 PolarHBondContact O-CD2 3.32Å; Q526-H528 PolarHBondContact O-N 3.15Å
527G85.9Confident92.1Very high19 Ų1939.9 Ų39.920%0.19622%0.217CC..THydrogen-bonded Turntrans75.9-5.2179.500000114.3S482 P525 E550S482-G527 PolarHBondContact O-N 3.29Å; P525-G527 PolarHBondContact O-N 3.27Å; G527-E550 VanDerWaalsContact O-OE1 3.14Å
528H89.6Confident91.9Very high43 Ų4333.7 Ų33.720%0.19920%0.195CC..PPolyproline II helixtrans-92118.6177.1-67.8-84.6000111.6S484 P525 Q526 T548 E550S484-H528 PolarHBondContact OG-O 3.04Å; P525-H528 WeakPolarHBondContact O-CB 3.47Å; P525-H528 PolarHBondContact O-N 3.24Å; P525-H528 VanDerWaalsContact O-N 3.1Å; Q526-H528 PolarHBondContact O-CD2 3.32Å; Q526-H528 PolarHBondContact O-N 3.15Å; H528-T548 HydrophobicContact CB-CG2 4.27Å; H528-E550 VanDerWaalsContact CA-OE2 3.24Å; H528-E550 WeakPolarHBondContact CA-OE2 3.48Å; H528-E550 IonicContact CG-OE2 2.6Å; H528-E550 IonicContact ND1-OE2 3.51Å; H528-E550 PolarHBondContact ND1-OE2 2.63Å; H528-E550 VanDerWaalsContact ND1-OE2 3.07Å
529L93.5Very high91.3Very high30 Ų3036.9 Ų36.916%0.15720%0.199CC..PPolyproline II helixtrans-101.8131.7-178.7-57.8179000111.2P475 A478 S484 A531 T548 M549 E550P475-L529 HydrophobicContact CG-CD2 4.26Å; A478-L529 HydrophobicContact CB-CD1 3.36Å; A478-L529 HydrophobicContact CB-CD2 3.7Å; A478-L529 HydrophobicContact CB-CG 4.09Å; S484-L529 WeakPolarHBondContact OG-CD2 3.37Å; L529-A531 PolarHBondContact O-N 3.29Å; L529-T548 CarbonylContact O-C 3.43Å; L529-T548 WeakPolarHBondContact O-CA 3.35Å; L529-T548 VanDerWaalsContact O-CB 3.27Å; L529-T548 WeakPolarHBondContact O-CB 3.18Å; L529-M549 HydrophobicContact CB-CB 4.12Å; L529-M549 HydrophobicContact CB-CG 3.76Å; L529-M549 PolarHBondContact O-N 2.86Å; L529-E550 PolarHBondContact N-OE1 2.75Å; L529-E550 PolarHBondContact N-OE2 3.05Å
530P96Very high90.8Very high1 Ų138.9 Ų38.91%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-68.4127.6177.627.7-32.8000110.9T472 Q474 S484 L524 V546T472-P530 HydrophobicContact CG2-CB 3.9Å; T472-P530 HydrophobicContact CG2-CG 4.3Å; Q474-P530 HydrophobicContact CB-CG 4.31Å; S484-P530 WeakPolarHBondContact OG-CD 3.39Å; L524-P530 HydrophobicContact CD1-CB 4.2Å; L524-P530 HydrophobicContact CD1-CG 4.19Å; P530-V546 HydrophobicContact CB-CG1 4.04Å
531A96Very high90.4Very high19 Ų1939.6 Ų39.616%0.15722%0.218CC..EExtended strand (participates in β ladder)trans-106.7-29.5179.700000112.8H433 L529 G547 M549 V579H433-A531 PolarHBondContact CE1-O 2.92Å; H433-A531 VanDerWaalsContact CE1-O 3.23Å; H433-A531 PolarHBondContact NE2-O 3.45Å; L529-A531 PolarHBondContact O-N 3.29Å; A531-G547 PolarHBondContact N-O 3.04Å; A531-M549 HydrophobicContact CB-CG 4.07Å; A531-M549 HydrophobicContact CB-SD 3.56Å; A531-M549 VanDerWaalsContact CB-SD 3.56Å; A531-V579 WeakPolarHBondContact CB-O 3.12Å
532C96.9Very high90.2Very high12 Ų1236.6 Ų36.68%0.08121%0.205CC..EExtended strand (participates in β ladder)trans-152.8163.8173.652.10000111.5H433 G547 V579 T580H433-C532 PolarHBondContact NE2-N 3Å; C532-G547 PolarHBondContact N-O 3.37Å; C532-G547 PolarHBondContact O-N 2.95Å; C532-G547 VanDerWaalsContact O-N 3.13Å; C532-V579 PolarHBondContact SG-O 3.18Å; C532-T580 WeakPolarHBondContact CB-O 3.25Å
533L97.7Very high90.2Very high23 Ų2334.6 Ų34.612%0.1219%0.194CC..EExtended strand (participates in β ladder)trans-137.2138.9-177.9176.370.6000108.5H433 Q435 V470 T472 L486 I544 G545 V546H433-L533 HydrophobicContact CB-CB 3.87Å; H433-L533 HydrophobicContact CB-CD2 4.18Å; Q435-L533 HydrophobicContact CB-CD2 4.13Å; V470-L533 HydrophobicContact CB-CD2 4.34Å; V470-L533 HydrophobicContact CG1-CD1 4Å; V470-L533 HydrophobicContact CG1-CD2 4.06Å; T472-L533 HydrophobicContact CG2-CB 4.46Å; T472-L533 HydrophobicContact CG2-CD1 4.22Å; L486-L533 HydrophobicContact CD1-CD1 4.06Å; L533-I544 HydrophobicContact CD1-CG2 3.58Å; L533-G545 WeakPolarHBondContact CA-O 3.15Å; L533-V546 HydrophobicContact CD1-CG2 4.11Å
534A96.4Very high90.4Very high4 Ų431.4 Ų31.43%0.03318%0.175CC..EExtended strand (participates in β ladder)trans-136.5147.4163.200000111.6I544 G545 L582 F584A534-I544 CarbonylContact O-C 3.56Å; A534-I544 WeakPolarHBondContact O-CA 3.43Å; A534-G545 PolarHBondContact N-O 2.91Å; A534-G545 PolarHBondContact O-N 2.98Å; A534-L582 HydrophobicContact CB-CD1 3.22Å; A534-L582 HydrophobicContact CB-CG 4.23Å; A534-L582 WeakPolarHBondContact CB-O 3.49Å; A534-F584 HydrophobicContact CB-CD2 4.15Å; A534-F584 HydrophobicContact CB-CE2 4.36Å
535V94.7Very high90.5Very high14 Ų1431.2 Ų31.29%0.08517%0.174CC..EExtended strand (participates in β ladder)trans-112.1135.5174174.30000108.8Q435 M437 V470Q435-V535 HydrophobicContact CB-CG2 3.97Å; Q435-V535 HydrophobicContact CG-CB 4.27Å; Q435-V535 HydrophobicContact CG-CG2 4.07Å; M437-V535 HydrophobicContact CB-CG1 3.59Å; M437-V535 HydrophobicContact CG-CG1 3.48Å; M437-V535 VanDerWaalsContact CG-CG1 3.48Å; M437-V535 HydrophobicContact SD-CG1 3.83Å; V470-V535 HydrophobicContact CB-CG2 4.03Å; V470-V535 HydrophobicContact CG2-CG2 3.82Å
536H91.6Very high90.9Very high8 Ų829.3 Ų29.34%0.03716%0.161CC..  trans-68.2133177.8-175.1-68.6000110.8S538 R541 L543 F584H536-S538 VanDerWaalsContact C-N 3.3Å; H536-S538 WeakPolarHBondContact CE1-CB 3.3Å; H536-S538 VanDerWaalsContact ND1-CB 3.33Å; H536-S538 WeakPolarHBondContact ND1-CB 2.93Å; H536-S538 PolarHBondContact ND1-N 2.93Å; H536-S538 PolarHBondContact O-N 3Å; H536-R541 WeakPolarHBondContact CE1-CD 2.99Å; H536-R541 PolarHBondContact NE2-NH1 2.97Å; H536-L543 HydrophobicContact CB-CB 3.68Å; H536-L543 WeakPolarHBondContact CB-O 3.39Å; H536-L543 PolarHBondContact N-O 2.9Å; H536-F584 HydrophobicContact CB-CB 4.31Å; H536-F584 HydrophobicContact CB-CD1 4.34Å; H536-F584 HydrophobicContact CB-CD2 3.83Å; H536-F584 HydrophobicContact CB-CE2 4.17Å; H536-F584 HydrophobicContact CB-CG 3.9Å; H536-F584 AromaticContact CD2-CD1 3.75Å; H536-F584 AromaticContact CD2-CG 3.83Å
537P84.8Confident91.3Very high70 Ų7024.6 Ų24.646%0.45514%0.139SC..SBendtrans-69.1-22.8-170.925.2-35.2000114.7
538S83.8Confident91.8Very high38 Ų3823.8 Ų23.827%0.26613%0.131SC..  trans-67.2132177.1178.80000113.2H536 S540H536-S538 VanDerWaalsContact C-N 3.3Å; H536-S538 WeakPolarHBondContact CE1-CB 3.3Å; H536-S538 VanDerWaalsContact ND1-CB 3.33Å; H536-S538 WeakPolarHBondContact ND1-CB 2.93Å; H536-S538 PolarHBondContact ND1-N 2.93Å; H536-S538 PolarHBondContact O-N 3Å; S538-S540 PolarHBondContact O-N 2.79Å; S538-S540 PolarHBondContact OG-N 2.86Å; S538-S540 PolarHBondContact OG-OG 3.43Å
539R78.9Confident92Very high141 Ų14125.9 Ų25.953%0.53214%0.141SC..THydrogen-bonded Turntrans-68.8-17.8-178.4-57.9-176.6-173.5-178.72.5114.9K438 Y439 S440K438-R539 HydrophobicContact CB-CG 4.17Å; K438-R539 WeakPolarHBondContact O-CA 3.45Å; Y439-R539 WeakPolarHBondContact CA-O 3.3Å; S440-R539 PolarHBondContact N-O 2.91Å; S440-R539 PolarHBondContact OG-O 2.9Å
540S78.7Confident91.9Very high73 Ų7327.7 Ų27.751%0.5115%0.149SC..THydrogen-bonded Turntrans-106.5-9.1-174.569.60000113.7S538S538-S540 PolarHBondContact O-N 2.79Å; S538-S540 PolarHBondContact OG-N 2.86Å; S538-S540 PolarHBondContact OG-OG 3.43Å
541R82.1Confident91.8Very high21 Ų2127.6 Ų27.68%0.07915%0.149CC..THydrogen-bonded Turntrans-92.2-31.9-170.6-74.6-179.5171.1172.20.9113.7H536 L543 F557 E587 S607 Y629H536-R541 WeakPolarHBondContact CE1-CD 2.99Å; H536-R541 PolarHBondContact NE2-NH1 2.97Å; R541-L543 HydrophobicContact CB-CD1 4.43Å; R541-L543 HydrophobicContact CB-CG 4.26Å; R541-L543 PolarHBondContact O-N 2.92Å; R541-F557 VanDerWaalsContact O-CD2 3.3Å; R541-F557 WeakPolarHBondContact O-CD2 3.46Å; R541-F557 WeakPolarHBondContact O-CE2 3.14Å; R541-E587 IonicContact CZ-OE2 3.81Å; R541-E587 IonicContact NH1-OE2 3.73Å; R541-E587 PolarHBondContact NH1-OE2 3.3Å; R541-E587 IonicContact NH2-OE1 2.85Å; R541-E587 IonicContact NH2-OE2 3.09Å; R541-E587 PolarHBondContact NH2-OE2 2.99Å; R541-S607 PolarHBondContact NH2-O 2.78Å; R541-Y629 VanDerWaalsContact CD-OH 3.26Å; R541-Y629 WeakPolarHBondContact CD-OH 3.29Å; R541-Y629 HydrophobicContact CG-CE1 3.91Å; R541-Y629 PolarHBondContact NE-OH 2.62Å; R541-Y629 PolarHBondContact NH1-OH 2.78Å
542G87.6Confident91.8Very high1 Ų127.8 Ų27.81%0.0115%0.145CC..  trans55.736.3176.200000114.1Y439 L558Y439-G542 VanDerWaalsContact CE2-CA 3.44Å; G542-L558 PolarHBondContact O-N 3.35Å
543L93.6Very high91.8Very high0 Ų027.2 Ų27.20%014%0.141CC..EExtended strand (participates in β ladder)trans-97.1137.1-178.2-66.5177.1000111.2H536 R541 V555 Y556 F557 I568 F584 F610 Y629 I632H536-L543 HydrophobicContact CB-CB 3.68Å; H536-L543 WeakPolarHBondContact CB-O 3.39Å; H536-L543 PolarHBondContact N-O 2.9Å; R541-L543 HydrophobicContact CB-CD1 4.43Å; R541-L543 HydrophobicContact CB-CG 4.26Å; R541-L543 PolarHBondContact O-N 2.92Å; L543-V555 HydrophobicContact CB-CG1 4.48Å; L543-V555 HydrophobicContact CD2-CG1 4.26Å; L543-Y556 WeakPolarHBondContact CA-O 3.24Å; L543-F557 HydrophobicContact CD2-CB 4.07Å; L543-F557 HydrophobicContact CD2-CD2 3.94Å; L543-I568 HydrophobicContact CD2-CD1 3.48Å; L543-I568 VanDerWaalsContact CD2-CD1 3.48Å; L543-F584 HydrophobicContact CB-CE1 4.4Å; L543-F584 HydrophobicContact CB-CZ 4.14Å; L543-F610 HydrophobicContact CD1-CB 3.66Å; L543-F610 HydrophobicContact CD1-CD1 3.65Å; L543-F610 HydrophobicContact CD1-CE1 4.49Å; L543-F610 HydrophobicContact CD1-CG 3.81Å; L543-Y629 HydrophobicContact CD1-CE1 3.96Å; L543-I632 HydrophobicContact CD2-CD1 4.48Å
544I97.1Very high91.7Very high0 Ų026.1 Ų26.10%014%0.136CC..EExtended strand (participates in β ladder)trans-130.9119.4-177.5-58165.2000108.5M437 V470 L486 V488 L533 A534 V546 V555 Y556 L565M437-I544 HydrophobicContact SD-CG1 4.3Å; V470-I544 HydrophobicContact CG1-CD1 3.88Å; V470-I544 HydrophobicContact CG1-CG1 4.31Å; V470-I544 HydrophobicContact CG1-CG2 3.84Å; V470-I544 HydrophobicContact CG2-CD1 3.94Å; V470-I544 HydrophobicContact CG2-CG1 4.31Å; L486-I544 HydrophobicContact CD1-CG2 4.1Å; L486-I544 HydrophobicContact CD2-CG2 3.96Å; V488-I544 HydrophobicContact CG2-CD1 3.7Å; L533-I544 HydrophobicContact CD1-CG2 3.58Å; A534-I544 CarbonylContact O-C 3.56Å; A534-I544 WeakPolarHBondContact O-CA 3.43Å; I544-V546 HydrophobicContact CG2-CG2 4.45Å; I544-V555 CarbonylContact O-C 3.58Å; I544-V555 WeakPolarHBondContact O-CA 3.45Å; I544-Y556 PolarHBondContact N-O 3.49Å; I544-Y556 PolarHBondContact O-N 3.34Å; I544-L565 HydrophobicContact CD1-CD2 3.8Å
545G97Very high91.7Very high0 Ų026 Ų260%013%0.134CC..EExtended strand (participates in β ladder)trans-98.1135176.500000110.7L533 A534 D554L533-G545 WeakPolarHBondContact CA-O 3.15Å; A534-G545 PolarHBondContact N-O 2.91Å; A534-G545 PolarHBondContact O-N 2.98Å; G545-D554 CarbonylContact C-O 3.06Å; G545-D554 WeakPolarHBondContact CA-O 3.37Å
546V98.1Very high91.8Very high0 Ų025.4 Ų25.40%013%0.131CC..EExtended strand (participates in β ladder)trans-127.6126.3176.9-179.40000109L486 L524 P530 L533 I544 V553 D554 Y556L486-V546 HydrophobicContact CD1-CG2 4.21Å; L486-V546 HydrophobicContact CD2-CG2 4.12Å; L524-V546 HydrophobicContact CD1-CG1 4.34Å; P530-V546 HydrophobicContact CB-CG1 4.04Å; L533-V546 HydrophobicContact CD1-CG2 4.11Å; I544-V546 HydrophobicContact CG2-CG2 4.45Å; V546-V553 WeakPolarHBondContact O-CA 3.31Å; V546-D554 PolarHBondContact N-O 2.94Å; V546-D554 PolarHBondContact O-N 2.97Å; V546-Y556 HydrophobicContact CB-CE2 4.35Å; V546-Y556 HydrophobicContact CG2-CD2 4.19Å; V546-Y556 HydrophobicContact CG2-CE2 4.13Å
547G97.4Very high91.8Very high0 Ų026 Ų260%013%0.133CC..EExtended strand (participates in β ladder)trans-105.2140.7172.300000109.2A531 C532 R552A531-G547 PolarHBondContact N-O 3.04Å; C532-G547 PolarHBondContact N-O 3.37Å; C532-G547 PolarHBondContact O-N 2.95Å; C532-G547 VanDerWaalsContact O-N 3.13Å; G547-R552 CarbonylContact C-O 3.58Å; G547-R552 WeakPolarHBondContact CA-O 3.24Å
548T96.3Very high92.1Very high2 Ų222.7 Ų22.71%0.01211%0.112CC..EExtended strand (participates in β ladder)trans-111.3164.8-174.188.80000113.5H528 L529 E550 G551 R552 F578 V579H528-T548 HydrophobicContact CB-CG2 4.27Å; L529-T548 CarbonylContact O-C 3.43Å; L529-T548 WeakPolarHBondContact O-CA 3.35Å; L529-T548 VanDerWaalsContact O-CB 3.27Å; L529-T548 WeakPolarHBondContact O-CB 3.18Å; T548-E550 WeakPolarHBondContact CB-OE2 3.29Å; T548-E550 PolarHBondContact O-N 3.05Å; T548-E550 PolarHBondContact OG1-N 3.15Å; T548-E550 PolarHBondContact OG1-OE2 3.4Å; T548-G551 PolarHBondContact O-N 2.76Å; T548-G551 VanDerWaalsContact O-N 3.15Å; T548-R552 HydrophobicContact CG2-CB 3.98Å; T548-R552 HydrophobicContact CG2-CG 4.25Å; T548-R552 PolarHBondContact N-O 3.11Å; T548-R552 WeakPolarHBondContact OG1-CB 3.39Å; T548-R552 PolarHBondContact OG1-N 2.84Å; T548-F578 WeakPolarHBondContact O-CA 3.33Å; T548-V579 PolarHBondContact O-N 3.11Å
549M93Very high92.2Very high87 Ų8720.9 Ų20.943%0.42910%0.099SC..THydrogen-bonded Turntrans-65.7-17.9176.4-67.7-62.5-60.700113.3L529 A531 F578L529-M549 HydrophobicContact CB-CB 4.12Å; L529-M549 HydrophobicContact CB-CG 3.76Å; L529-M549 PolarHBondContact O-N 2.86Å; A531-M549 HydrophobicContact CB-CG 4.07Å; A531-M549 HydrophobicContact CB-SD 3.56Å; A531-M549 VanDerWaalsContact CB-SD 3.56Å; M549-F578 VanDerWaalsContact CA-CB 3.43Å; M549-F578 HydrophobicContact CB-CB 4.36Å; M549-F578 HydrophobicContact CE-CB 4.18Å; M549-F578 HydrophobicContact CE-CD1 4.36Å; M549-F578 HydrophobicContact CE-CG 4.19Å; M549-F578 VanDerWaalsContact O-CA 3.29Å; M549-F578 WeakPolarHBondContact O-CA 3.31Å; M549-F578 WeakPolarHBondContact O-CB 3.41Å; M549-F578 PolarHBondContact O-N 2.87Å; M549-F578 HydrophobicContact SD-CB 4.08Å; M549-F578 HydrophobicContact SD-CG 4.42Å
550E92.3Very high92.2Very high67 Ų6716.4 Ų16.431%0.3139%0.088SC..THydrogen-bonded Turntrans-93.6-0.4179.3-53.170-145.400111.8G527 H528 L529 T548G527-E550 VanDerWaalsContact O-OE1 3.14Å; H528-E550 VanDerWaalsContact CA-OE2 3.24Å; H528-E550 WeakPolarHBondContact CA-OE2 3.48Å; H528-E550 IonicContact CG-OE2 2.6Å; H528-E550 IonicContact ND1-OE2 3.51Å; H528-E550 PolarHBondContact ND1-OE2 2.63Å; H528-E550 VanDerWaalsContact ND1-OE2 3.07Å; L529-E550 PolarHBondContact N-OE1 2.75Å; L529-E550 PolarHBondContact N-OE2 3.05Å; T548-E550 WeakPolarHBondContact CB-OE2 3.29Å; T548-E550 PolarHBondContact O-N 3.05Å; T548-E550 PolarHBondContact OG1-N 3.15Å; T548-E550 PolarHBondContact OG1-OE2 3.4Å
551G93.8Very high92.3Very high0 Ų016.5 Ų16.50%09%0.089CC..SBendtrans85.717.3-17900000114.1T548 A574 H575 I577T548-G551 PolarHBondContact O-N 2.76Å; T548-G551 VanDerWaalsContact O-N 3.15Å; G551-A574 WeakPolarHBondContact O-CA 3.38Å; G551-A574 VanDerWaalsContact O-CB 3.3Å; G551-A574 WeakPolarHBondContact O-CB 3.33Å; G551-A574 PolarHBondContact O-N 3.49Å; G551-H575 WeakPolarHBondContact CA-O 3.35Å; G551-H575 PolarHBondContact O-N 2.62Å; G551-I577 WeakPolarHBondContact CA-O 3.23Å
552R95.3Very high92.2Very high22 Ų2219 Ų198%0.08311%0.107CC..  trans-87146.1174.6171.4176.7177.7171.8-0.1111.1P525 G547 T548 D554 T570 L571 N572P525-R552 VanDerWaalsContact CB-NH1 3.31Å; G547-R552 CarbonylContact C-O 3.58Å; G547-R552 WeakPolarHBondContact CA-O 3.24Å; T548-R552 HydrophobicContact CG2-CB 3.98Å; T548-R552 HydrophobicContact CG2-CG 4.25Å; T548-R552 PolarHBondContact N-O 3.11Å; T548-R552 WeakPolarHBondContact OG1-CB 3.39Å; T548-R552 PolarHBondContact OG1-N 2.84Å; R552-D554 IonicContact CZ-OD1 2.77Å; R552-D554 IonicContact CZ-OD2 2.66Å; R552-D554 IonicContact NE-OD1 3.15Å; R552-D554 PolarHBondContact NE-OD1 2.98Å; R552-D554 IonicContact NE-OD2 3.06Å; R552-D554 PolarHBondContact NE-OD2 3.26Å; R552-D554 IonicContact NH2-OD1 3.83Å; R552-D554 PolarHBondContact NH2-OD1 3.38Å; R552-D554 IonicContact NH2-OD2 3.62Å; R552-D554 PolarHBondContact NH2-OD2 2.86Å; R552-T570 PolarHBondContact NH2-OG1 3.14Å; R552-L571 VanDerWaalsContact CA-O 3.31Å; R552-L571 WeakPolarHBondContact CA-O 3.48Å; R552-N572 WeakPolarHBondContact CB-O 3.41Å; R552-N572 WeakPolarHBondContact CD-OD1 3.3Å; R552-N572 PolarHBondContact NE-OD1 3.49Å; R552-N572 PolarHBondContact NH1-OD1 2.91Å
553V96.9Very high92.1Very high0 Ų023 Ų230%013%0.125CC..EExtended strand (participates in β ladder)trans-121.4126.4170.7174.20000109.4V546 Y569 T570 L571 A574 V579 L612V546-V553 WeakPolarHBondContact O-CA 3.31Å; V553-Y569 HydrophobicContact CG1-CE1 4.47Å; V553-T570 CarbonylContact O-C 3.5Å; V553-L571 PolarHBondContact N-O 2.76Å; V553-L571 PolarHBondContact O-N 2.8Å; V553-A574 HydrophobicContact CB-CB 4.04Å; V553-A574 HydrophobicContact CG2-CB 3.59Å; V553-V579 HydrophobicContact CG2-CG1 4.45Å; V553-V579 HydrophobicContact CG2-CG2 3.89Å; V553-L612 HydrophobicContact CG1-CD2 3.61Å
554D96.4Very high91.9Very high1 Ų125.4 Ų25.41%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-120.1145.4174.6-69.7-34.3000110.6G545 V546 R552 Y556 Y569 T570G545-D554 CarbonylContact C-O 3.06Å; G545-D554 WeakPolarHBondContact CA-O 3.37Å; V546-D554 PolarHBondContact N-O 2.94Å; V546-D554 PolarHBondContact O-N 2.97Å; R552-D554 IonicContact CZ-OD1 2.77Å; R552-D554 IonicContact CZ-OD2 2.66Å; R552-D554 IonicContact NE-OD1 3.15Å; R552-D554 PolarHBondContact NE-OD1 2.98Å; R552-D554 IonicContact NE-OD2 3.06Å; R552-D554 PolarHBondContact NE-OD2 3.26Å; R552-D554 IonicContact NH2-OD1 3.83Å; R552-D554 PolarHBondContact NH2-OD1 3.38Å; R552-D554 IonicContact NH2-OD2 3.62Å; R552-D554 PolarHBondContact NH2-OD2 2.86Å; D554-Y556 HydrophobicContact CB-CD2 4.28Å; D554-Y556 HydrophobicContact CB-CE2 3.45Å; D554-Y556 VanDerWaalsContact CB-CE2 3.45Å; D554-Y556 PolarHBondContact OD2-OH 3.27Å; D554-Y569 CarbonylContact C-O 3.49Å; D554-Y569 WeakPolarHBondContact CA-O 3.36Å; D554-T570 WeakPolarHBondContact OD1-CB 3.37Å; D554-T570 WeakPolarHBondContact OD1-CG2 3.47Å; D554-T570 PolarHBondContact OD1-OG1 2.82Å
555V96.6Very high91.7Very high0 Ų025.9 Ų25.90%014%0.143CC..EExtended strand (participates in β ladder)trans-123.3128.2168.5-175.40000109.7L543 I544 I568 Y569 F584 F610 L612L543-V555 HydrophobicContact CB-CG1 4.48Å; L543-V555 HydrophobicContact CD2-CG1 4.26Å; I544-V555 CarbonylContact O-C 3.58Å; I544-V555 WeakPolarHBondContact O-CA 3.45Å; V555-I568 HydrophobicContact CB-CG1 4.29Å; V555-I568 HydrophobicContact CG1-CD1 4.1Å; V555-I568 HydrophobicContact CG1-CG1 4.14Å; V555-I568 VanDerWaalsContact O-CG1 3.25Å; V555-I568 WeakPolarHBondContact O-CG1 3.37Å; V555-I568 PolarHBondContact O-N 3.37Å; V555-Y569 HydrophobicContact CG2-CD1 4.1Å; V555-Y569 PolarHBondContact N-O 3.11Å; V555-Y569 PolarHBondContact O-N 3.36Å; V555-F584 HydrophobicContact CG1-CE1 4.24Å; V555-F584 HydrophobicContact CG1-CZ 3.92Å; V555-F584 HydrophobicContact CG2-CZ 4.39Å; V555-F610 HydrophobicContact CB-CE2 4.31Å; V555-F610 HydrophobicContact CB-CZ 3.84Å; V555-F610 HydrophobicContact CG1-CE1 4.14Å; V555-F610 HydrophobicContact CG1-CE2 4.24Å; V555-F610 HydrophobicContact CG1-CZ 3.82Å; V555-F610 HydrophobicContact CG2-CE2 3.78Å; V555-F610 HydrophobicContact CG2-CZ 3.78Å; V555-L612 HydrophobicContact CG2-CD2 3.85Å
556Y95.5Very high91.4Very high3 Ų328 Ų281%0.01215%0.154CC..EExtended strand (participates in β ladder)trans-108.9140.9178.5-60.6-91.1000109.8L486 I522 L524 L543 I544 V546 D554 I566 N567L486-Y556 HydrophobicContact CD2-CD2 3.67Å; L486-Y556 HydrophobicContact CD2-CE2 4.26Å; L486-Y556 HydrophobicContact CD2-CG 3.87Å; I522-Y556 HydrophobicContact CD1-CD1 4.1Å; I522-Y556 HydrophobicContact CD1-CE1 3.89Å; I522-Y556 HydrophobicContact CG2-CD1 4.06Å; I522-Y556 HydrophobicContact CG2-CE1 4.05Å; L524-Y556 HydrophobicContact CD2-CE2 3.91Å; L524-Y556 WeakPolarHBondContact CD2-OH 3.25Å; L543-Y556 WeakPolarHBondContact CA-O 3.24Å; I544-Y556 PolarHBondContact N-O 3.49Å; I544-Y556 PolarHBondContact O-N 3.34Å; V546-Y556 HydrophobicContact CB-CE2 4.35Å; V546-Y556 HydrophobicContact CG2-CD2 4.19Å; V546-Y556 HydrophobicContact CG2-CE2 4.13Å; D554-Y556 HydrophobicContact CB-CD2 4.28Å; D554-Y556 HydrophobicContact CB-CE2 3.45Å; D554-Y556 VanDerWaalsContact CB-CE2 3.45Å; D554-Y556 PolarHBondContact OD2-OH 3.27Å; Y556-I566 CarbonylContact C-O 3.58Å; Y556-I566 VanDerWaalsContact CA-O 3.29Å; Y556-I566 WeakPolarHBondContact CA-O 3.18Å; Y556-N567 HydrophobicContact CD1-CB 3.89Å; Y556-N567 HydrophobicContact CE1-CB 3.65Å; Y556-N567 PolarHBondContact OH-ND2 2.91Å
557F93.2Very high91.2Very high21 Ų2130.6 Ų30.69%0.09217%0.168CC..EExtended strand (participates in β ladder)trans-104.9128.8170.5173.6-107.7000109.3R541 L543 L565 I566 I568 I632 S636R541-F557 VanDerWaalsContact O-CD2 3.3Å; R541-F557 WeakPolarHBondContact O-CD2 3.46Å; R541-F557 WeakPolarHBondContact O-CE2 3.14Å; L543-F557 HydrophobicContact CD2-CB 4.07Å; L543-F557 HydrophobicContact CD2-CD2 3.94Å; F557-L565 WeakPolarHBondContact O-CA 3.38Å; F557-I566 PolarHBondContact N-O 2.91Å; F557-I566 PolarHBondContact O-N 3.42Å; F557-I568 HydrophobicContact CB-CD1 4.23Å; F557-I568 HydrophobicContact CB-CG1 4.45Å; F557-I568 HydrophobicContact CB-CG2 3.77Å; F557-I632 HydrophobicContact CB-CG2 4.04Å; F557-I632 HydrophobicContact CD1-CG2 3.97Å; F557-I632 HydrophobicContact CD2-CG2 3.62Å; F557-I632 HydrophobicContact CE1-CG2 4.33Å; F557-I632 HydrophobicContact CE2-CG2 4Å; F557-I632 HydrophobicContact CG-CG2 3.59Å; F557-I632 HydrophobicContact CZ-CG2 4.34Å; F557-S636 VanDerWaalsContact CE1-CB 3.41Å
558L91.1Very high90.9Very high0 Ų031.5 Ų31.50%017%0.173CC..EExtended strand (participates in β ladder)trans-84.5112.1169.3-177.864.4000109.3M437 Y439 M468 V488 F519 A520 G542 L565M437-L558 HydrophobicContact CE-CB 4.41Å; M437-L558 HydrophobicContact CE-CD2 3.37Å; Y439-L558 HydrophobicContact CD1-CD2 4.41Å; Y439-L558 HydrophobicContact CE1-CD2 4.47Å; Y439-L558 PolarHBondContact OH-O 3.08Å; Y439-L558 VanDerWaalsContact OH-O 3.13Å; M468-L558 HydrophobicContact CE-CD2 4.39Å; M468-L558 HydrophobicContact SD-CD2 3.62Å; V488-L558 HydrophobicContact CG1-CD2 4.21Å; F519-L558 HydrophobicContact CD1-CD1 4Å; F519-L558 HydrophobicContact CD1-CD2 4.04Å; F519-L558 HydrophobicContact CE1-CD1 3.87Å; F519-L558 HydrophobicContact CE1-CD2 3.74Å; F519-L558 HydrophobicContact CE1-CG 4.08Å; A520-L558 HydrophobicContact CB-CD1 3.51Å; G542-L558 PolarHBondContact O-N 3.35Å; L558-L565 HydrophobicContact CB-CD2 4.03Å; L558-L565 HydrophobicContact CD1-CD2 3.89Å; L558-L565 HydrophobicContact CD1-CG 4.22Å
559S86Confident90.8Very high0 Ų033.4 Ų33.40%018%0.18CC..  trans-77.3124.3177.1177.90000111S561 T562 H563 C564S559-S561 VanDerWaalsContact C-N 3.34Å; S559-S561 PolarHBondContact O-N 3.22Å; S559-T562 WeakPolarHBondContact CB-OG1 3.34Å; S559-T562 PolarHBondContact OG-OG1 3.16Å; S559-H563 WeakPolarHBondContact O-CA 3.32Å; S559-H563 PolarHBondContact O-N 2.76Å; S559-H563 VanDerWaalsContact O-N 3.13Å; S559-C564 PolarHBondContact N-O 3.49Å
560P77.9Confident90.9Very high46 Ų4631.9 Ų31.930%0.29918%0.176SC..THydrogen-bonded Turntrans-70.3-30.5-17923.4-26.9000112.6Y439 L441Y439-P560 HydrophobicContact CE1-CB 3.94Å; Y439-P560 WeakPolarHBondContact OH-CB 3.49Å; Y439-P560 WeakPolarHBondContact OH-CD 3.44Å; Y439-P560 WeakPolarHBondContact OH-CG 3.35Å; L441-P560 HydrophobicContact CD1-CB 3.49Å; L441-P560 VanDerWaalsContact CD1-CB 3.49Å
561S80.1Confident91Very high76 Ų7630.8 Ų30.853%0.53117%0.172SC..THydrogen-bonded Turntrans-87.6-33.2-174.956.70000113.4S559S559-S561 VanDerWaalsContact C-N 3.34Å; S559-S561 PolarHBondContact O-N 3.22Å
562T81.9Confident90.8Very high74 Ų7434.7 Ų34.745%0.45419%0.193SC..THydrogen-bonded Turntrans-103.4-4.2-175.454.80000113S559 C564S559-T562 WeakPolarHBondContact CB-OG1 3.34Å; S559-T562 PolarHBondContact OG-OG1 3.16Å; T562-C564 PolarHBondContact O-N 3.18Å; T562-C564 VanDerWaalsContact O-N 3.07Å; T562-C564 PolarHBondContact OG1-SG 2.86Å
563H84.9Confident90.6Very high85 Ų8540.2 Ų40.239%0.39422%0.224SC..  trans49.635-177.1-60.5-85.2000112.7F519 A520 S559F519-H563 AromaticContact CD2-ND1 3.94Å; F519-H563 HydrophobicContact CE1-CB 4.38Å; F519-H563 AromaticContact CE1-ND1 3.45Å; F519-H563 WeakPolarHBondContact CE1-ND1 3.43Å; F519-H563 AromaticContact CE2-CE1 3.57Å; F519-H563 AromaticContact CE2-ND1 3.14Å; F519-H563 WeakPolarHBondContact CE2-ND1 3.25Å; F519-H563 AromaticContact CZ-CE1 3.46Å; F519-H563 VanDerWaalsContact CZ-CE1 3.46Å; F519-H563 WeakPolarHBondContact CZ-CE1 3.34Å; F519-H563 AromaticContact CZ-ND1 2.86Å; F519-H563 WeakPolarHBondContact CZ-ND1 3.27Å; A520-H563 VanDerWaalsContact CB-O 3.28Å; A520-H563 WeakPolarHBondContact CB-O 3.22Å; S559-H563 WeakPolarHBondContact O-CA 3.32Å; S559-H563 PolarHBondContact O-N 2.76Å; S559-H563 VanDerWaalsContact O-N 3.13Å
564C89.1Confident90.4Very high49 Ų4940.2 Ų40.233%0.33122%0.224SC..  trans-125150.8-177.975.60000111.3S559 T562S559-C564 PolarHBondContact N-O 3.49Å; T562-C564 PolarHBondContact O-N 3.18Å; T562-C564 VanDerWaalsContact O-N 3.07Å; T562-C564 PolarHBondContact OG1-SG 2.86Å
565L92.4Very high90.2Very high11 Ų1140.2 Ų40.26%0.05822%0.224CC..EExtended strand (participates in β ladder)trans-91130.8173.5-70.4164.2000109.1L486 V488 A520 I522 I544 F557 L558L486-L565 HydrophobicContact CD2-CD1 4.11Å; L486-L565 HydrophobicContact CG-CD1 4.12Å; V488-L565 HydrophobicContact CG2-CD1 4.11Å; V488-L565 HydrophobicContact CG2-CD2 4.11Å; V488-L565 HydrophobicContact CG2-CG 4.5Å; A520-L565 HydrophobicContact CB-CD1 4.29Å; A520-L565 HydrophobicContact CB-CG 3.98Å; I522-L565 HydrophobicContact CB-CB 3.96Å; I522-L565 HydrophobicContact CB-CD1 4.25Å; I522-L565 HydrophobicContact CD1-CB 4.48Å; I522-L565 WeakPolarHBondContact CD1-O 3.35Å; I522-L565 HydrophobicContact CG2-CB 3.76Å; I522-L565 HydrophobicContact CG2-CD1 3.64Å; I522-L565 HydrophobicContact CG2-CG 4.36Å; I544-L565 HydrophobicContact CD1-CD2 3.8Å; F557-L565 WeakPolarHBondContact O-CA 3.38Å; L558-L565 HydrophobicContact CB-CD2 4.03Å; L558-L565 HydrophobicContact CD1-CD2 3.89Å; L558-L565 HydrophobicContact CD1-CG 4.22Å
566I91.7Very high90Very high44 Ų4445 Ų4523%0.22626%0.255CS..EExtended strand (participates in β ladder)trans-121.6125.5-180-58.6170.2000108Y556 F557 I568Y556-I566 CarbonylContact C-O 3.58Å; Y556-I566 VanDerWaalsContact CA-O 3.29Å; Y556-I566 WeakPolarHBondContact CA-O 3.18Å; F557-I566 PolarHBondContact N-O 2.91Å; F557-I566 PolarHBondContact O-N 3.42Å; I566-I568 HydrophobicContact CG2-CG2 4.39Å; I566-I568 PolarHBondContact O-N 2.75Å
567N93Very high89.8Confident55 Ų5548.5 Ų48.529%0.29427%0.273SS..EExtended strand (participates in β ladder)trans-71.1117.8172.4-173-64.2000109Y556 Y569 T570Y556-N567 HydrophobicContact CD1-CB 3.89Å; Y556-N567 HydrophobicContact CE1-CB 3.65Å; Y556-N567 PolarHBondContact OH-ND2 2.91Å; N567-Y569 PolarHBondContact OD1-N 2.89Å; N567-Y569 PolarHBondContact OD1-O 3.19Å; N567-Y569 VanDerWaalsContact OD1-O 3.1Å; N567-T570 PolarHBondContact ND2-OG1 3.25Å; N567-T570 PolarHBondContact OD1-OG1 3.18Å
568I92Very high89.8Confident19 Ų1950.9 Ų50.910%0.09728%0.283CS..EExtended strand (participates in β ladder)trans-107.8-16.4-178.158.1162.1000112.8L543 V555 F557 I566 F610 I632 L635L543-I568 HydrophobicContact CD2-CD1 3.48Å; L543-I568 VanDerWaalsContact CD2-CD1 3.48Å; V555-I568 HydrophobicContact CB-CG1 4.29Å; V555-I568 HydrophobicContact CG1-CD1 4.1Å; V555-I568 HydrophobicContact CG1-CG1 4.14Å; V555-I568 VanDerWaalsContact O-CG1 3.25Å; V555-I568 WeakPolarHBondContact O-CG1 3.37Å; V555-I568 PolarHBondContact O-N 3.37Å; F557-I568 HydrophobicContact CB-CD1 4.23Å; F557-I568 HydrophobicContact CB-CG1 4.45Å; F557-I568 HydrophobicContact CB-CG2 3.77Å; I566-I568 HydrophobicContact CG2-CG2 4.39Å; I566-I568 PolarHBondContact O-N 2.75Å; I568-F610 HydrophobicContact CD1-CD1 4.31Å; I568-F610 HydrophobicContact CD1-CE1 3.58Å; I568-F610 HydrophobicContact CD1-CZ 4.4Å; I568-F610 HydrophobicContact CG1-CE1 4.44Å; I568-I632 HydrophobicContact CD1-CD1 3.58Å; I568-I632 HydrophobicContact CD1-CG1 3.77Å; I568-I632 HydrophobicContact CD1-CG2 4.37Å; I568-I632 HydrophobicContact CG2-CG2 4.37Å; I568-L635 HydrophobicContact CG2-CD1 4.37Å
569Y93.6Very high90.1Very high41 Ų4150.9 Ų50.916%0.16128%0.283CS..EExtended strand (participates in β ladder)trans-150.5137.3179.4177.4-89.6000109.6V553 D554 V555 N567 L571 F610 H624V553-Y569 HydrophobicContact CG1-CE1 4.47Å; D554-Y569 CarbonylContact C-O 3.49Å; D554-Y569 WeakPolarHBondContact CA-O 3.36Å; V555-Y569 HydrophobicContact CG2-CD1 4.1Å; V555-Y569 PolarHBondContact N-O 3.11Å; V555-Y569 PolarHBondContact O-N 3.36Å; N567-Y569 PolarHBondContact OD1-N 2.89Å; N567-Y569 PolarHBondContact OD1-O 3.19Å; N567-Y569 VanDerWaalsContact OD1-O 3.1Å; Y569-L571 HydrophobicContact CE1-CB 3.94Å; Y569-F610 HydrophobicContact CG-CZ 4.36Å; Y569-H624 HydrophobicContact CE1-CB 4.24Å; Y569-H624 AromaticContact CE1-ND1 3.59Å; Y569-H624 AromaticContact CZ-ND1 3.65Å; Y569-H624 PolarHBondContact OH-ND1 2.89Å
570T94.8Very high90.6Very high55 Ų5552 Ų5234%0.33729%0.29SS..EExtended strand (participates in β ladder)trans-142.5130.8176.9-70.50000108.4R552 V553 D554 N567 N572R552-T570 PolarHBondContact NH2-OG1 3.14Å; V553-T570 CarbonylContact O-C 3.5Å; D554-T570 WeakPolarHBondContact OD1-CB 3.37Å; D554-T570 WeakPolarHBondContact OD1-CG2 3.47Å; D554-T570 PolarHBondContact OD1-OG1 2.82Å; N567-T570 PolarHBondContact ND2-OG1 3.25Å; N567-T570 PolarHBondContact OD1-OG1 3.18Å; T570-N572 WeakPolarHBondContact CG2-OD1 3.45Å
571L94.2Very high91.5Very high44 Ų4450.4 Ų50.423%0.2328%0.281CS..EExtended strand (participates in β ladder)trans-130.7103.5166.8-172.763.2000109.9F4 R552 V553 Y569 N573 A574F4-L571 HydrophobicContact CE1-CD2 4.43Å; F4-L571 HydrophobicContact CZ-CD2 4.36Å; R552-L571 VanDerWaalsContact CA-O 3.31Å; R552-L571 WeakPolarHBondContact CA-O 3.48Å; V553-L571 PolarHBondContact N-O 2.76Å; V553-L571 PolarHBondContact O-N 2.8Å; Y569-L571 HydrophobicContact CE1-CB 3.94Å; L571-N573 PolarHBondContact O-N 2.87Å; L571-A574 HydrophobicContact CB-CB 4.37Å; L571-A574 HydrophobicContact CD2-CB 3.87Å; L571-A574 HydrophobicContact CG-CB 4.11Å
572N90.5Very high92.3Very high83 Ų8347.3 Ų47.344%0.44426%0.259SS..THydrogen-bonded Turntrans-65.5-32.4-171.6-71.3-29.6000114.6R552 T570R552-N572 WeakPolarHBondContact CB-O 3.41Å; R552-N572 WeakPolarHBondContact CD-OD1 3.3Å; R552-N572 PolarHBondContact NE-OD1 3.49Å; R552-N572 PolarHBondContact NH1-OD1 2.91Å; T570-N572 WeakPolarHBondContact CG2-OD1 3.45Å
573N90.8Very high92.8Very high138 Ų13844.6 Ų44.674%0.73824%0.242SC*.THydrogen-bonded Turntrans-122.850-179.1-61.4-38.1000109.5L571 H575L571-N573 PolarHBondContact O-N 2.87Å; N573-H575 VanDerWaalsContact C-N 3.3Å
574A91.9Very high93.2Very high0 Ų040.8 Ų40.80%023%0.225CC..SBendtrans-57.9-50.5175.700000109G551 V553 L571 K622G551-A574 WeakPolarHBondContact O-CA 3.38Å; G551-A574 VanDerWaalsContact O-CB 3.3Å; G551-A574 WeakPolarHBondContact O-CB 3.33Å; G551-A574 PolarHBondContact O-N 3.49Å; V553-A574 HydrophobicContact CB-CB 4.04Å; V553-A574 HydrophobicContact CG2-CB 3.59Å; L571-A574 HydrophobicContact CB-CB 4.37Å; L571-A574 HydrophobicContact CD2-CB 3.87Å; L571-A574 HydrophobicContact CG-CB 4.11Å; A574-K622 WeakPolarHBondContact O-CD 3.36Å; A574-K622 VanDerWaalsContact O-CE 3.25Å; A574-K622 WeakPolarHBondContact O-CE 3.35Å; A574-K622 PolarHBondContact O-NZ 2.75Å
575H93.9Very high93.1Very high1 Ų139 Ų391%0.00521%0.211CC..SBendtrans-120.4152.6170.3-67.7-93.3000109.8G551 N573 I577 S614 S616 D618 L620G551-H575 WeakPolarHBondContact CA-O 3.35Å; G551-H575 PolarHBondContact O-N 2.62Å; N573-H575 VanDerWaalsContact C-N 3.3Å; H575-I577 VanDerWaalsContact CB-O 3.29Å; H575-I577 WeakPolarHBondContact CB-O 3.38Å; H575-I577 PolarHBondContact O-N 3.04Å; H575-S614 PolarHBondContact CD2-OG 2.8Å; H575-S614 PolarHBondContact NE2-OG 3.05Å; H575-S616 WeakPolarHBondContact ND1-CB 3.47Å; H575-D618 IonicContact CE1-OD1 2.75Å; H575-D618 IonicContact CE1-OD2 3.22Å; H575-D618 IonicContact CG-OD2 3.35Å; H575-D618 VanDerWaalsContact ND1-CG 3.28Å; H575-D618 IonicContact ND1-OD1 2.8Å; H575-D618 PolarHBondContact ND1-OD1 2.64Å; H575-D618 VanDerWaalsContact ND1-OD1 3.15Å; H575-D618 IonicContact ND1-OD2 3.04Å; H575-D618 PolarHBondContact ND1-OD2 2.89Å; H575-L620 PolarHBondContact CE1-O 2.79Å
576P92Very high92.2Very high101 Ų10144.3 Ų44.366%0.65623%0.231SC*.SBendtrans-72.3-13.2175.830.6-34.2000112.9D618P576-D618 VanDerWaalsContact CD-OD2 3.23Å; P576-D618 WeakPolarHBondContact CD-OD2 3.22Å; P576-D618 HydrophobicContact CG-CB 4.1Å
577I90.4Very high91Very high76 Ų7644.2 Ų44.239%0.3923%0.229SC..SBendtrans-131169.9-178.1-56.6169.1000107G551 H575G551-I577 WeakPolarHBondContact CA-O 3.23Å; H575-I577 VanDerWaalsContact CB-O 3.29Å; H575-I577 WeakPolarHBondContact CB-O 3.38Å; H575-I577 PolarHBondContact O-N 3.04Å
578F93.5Very high88.9Confident70 Ų7045.3 Ų45.331%0.30724%0.235SC..  trans-47.5142.9177.263.6-86.9000114.5T548 M549 T580 S616 V617T548-F578 WeakPolarHBondContact O-CA 3.33Å; M549-F578 VanDerWaalsContact CA-CB 3.43Å; M549-F578 HydrophobicContact CB-CB 4.36Å; M549-F578 HydrophobicContact CE-CB 4.18Å; M549-F578 HydrophobicContact CE-CD1 4.36Å; M549-F578 HydrophobicContact CE-CG 4.19Å; M549-F578 VanDerWaalsContact O-CA 3.29Å; M549-F578 WeakPolarHBondContact O-CA 3.31Å; M549-F578 WeakPolarHBondContact O-CB 3.41Å; M549-F578 PolarHBondContact O-N 2.87Å; M549-F578 HydrophobicContact SD-CB 4.08Å; M549-F578 HydrophobicContact SD-CG 4.42Å; F578-T580 HydrophobicContact CD2-CG2 3.82Å; F578-T580 HydrophobicContact CE2-CG2 3.47Å; F578-T580 VanDerWaalsContact CE2-CG2 3.47Å; F578-T580 HydrophobicContact CZ-CG2 4.37Å; F578-S616 WeakPolarHBondContact O-CB 3.38Å; F578-S616 PolarHBondContact O-OG 3.42Å; F578-V617 HydrophobicContact CE1-CG2 4.04Å; F578-V617 HydrophobicContact CE2-CG2 3.87Å; F578-V617 HydrophobicContact CZ-CG2 3.48Å; F578-V617 VanDerWaalsContact CZ-CG2 3.48Å
579V96.7Very high86.2Confident0 Ų048.1 Ų48.10%026%0.256CS..EExtended strand (participates in β ladder)trans-78.7121.2173.6-171.60000108.8A531 C532 T548 V553A531-V579 WeakPolarHBondContact CB-O 3.12Å; C532-V579 PolarHBondContact SG-O 3.18Å; T548-V579 PolarHBondContact O-N 3.11Å; V553-V579 HydrophobicContact CG2-CG1 4.45Å; V553-V579 HydrophobicContact CG2-CG2 3.89Å
580T96.4Very high83.3Confident23 Ų2355.3 Ų55.314%0.14129%0.285CS..EExtended strand (participates in β ladder)trans-84-42.3-175.6480000112.2L13 Y14 C532 F578 V615 S616 V617L13-T580 WeakPolarHBondContact O-CB 3.39Å; L13-T580 WeakPolarHBondContact O-CG2 3.49Å; L13-T580 PolarHBondContact O-OG1 2.76Å; Y14-T580 HydrophobicContact CD1-CG2 3.96Å; C532-T580 WeakPolarHBondContact CB-O 3.25Å; F578-T580 HydrophobicContact CD2-CG2 3.82Å; F578-T580 HydrophobicContact CE2-CG2 3.47Å; F578-T580 VanDerWaalsContact CE2-CG2 3.47Å; F578-T580 HydrophobicContact CZ-CG2 4.37Å; T580-V615 PolarHBondContact N-O 2.69Å; T580-V615 PolarHBondContact OG1-O 2.66Å; T580-V615 VanDerWaalsContact OG1-O 3.04Å; T580-S616 WeakPolarHBondContact OG1-CA 3.27Å; T580-S616 PolarHBondContact OG1-N 2.85Å; T580-V617 HydrophobicContact CG2-CG2 3.61Å
581A97.3Very high80.1Confident14 Ų1459.1 Ų59.112%0.11631%0.308CS..EExtended strand (participates in β ladder)trans-150.8159.317500000110.8Y14 V16 V615Y14-A581 WeakPolarHBondContact O-CB 3.28Å; V16-A581 HydrophobicContact CG1-CB 3.99Å; A581-V615 HydrophobicContact CB-CG2 3.78Å; A581-V615 WeakPolarHBondContact O-CG2 3.49Å; A581-V615 PolarHBondContact O-N 2.88Å
582L96.4Very high76.8Confident10 Ų1065.7 Ų65.75%0.05234%0.342CS..EExtended strand (participates in β ladder)trans-148.2152.6172.363.695.3000109.3A534 L612 V613A534-L582 HydrophobicContact CB-CD1 3.22Å; A534-L582 HydrophobicContact CB-CG 4.23Å; A534-L582 WeakPolarHBondContact CB-O 3.49Å; L582-L612 HydrophobicContact CB-CD1 4.36Å; L582-L612 HydrophobicContact CD1-CD1 3.56Å; L582-L612 HydrophobicContact CD1-CD2 4.35Å; L582-L612 HydrophobicContact CD1-CG 4.45Å; L582-V613 CarbonylContact C-O 3.57Å; L582-V613 WeakPolarHBondContact CA-O 3.49Å; L582-V613 WeakPolarHBondContact CB-O 3.3Å
583T94.2Very high73.6Confident18 Ų1864.4 Ų64.411%0.1135%0.349CS..EExtended strand (participates in β ladder)trans-147.2145177.2-166.40000111V16 V18 L612 V613V16-T583 HydrophobicContact CG1-CG2 4.09Å; V16-T583 HydrophobicContact CG2-CG2 3.98Å; V18-T583 HydrophobicContact CG2-CG2 3.82Å; T583-L612 VanDerWaalsContact C-CD1 3.48Å; T583-L612 VanDerWaalsContact O-CD1 3.24Å; T583-L612 WeakPolarHBondContact O-CD1 3.39Å; T583-V613 PolarHBondContact N-O 2.89Å; T583-V613 PolarHBondContact O-N 2.91Å
584F92.9Very high70.5Confident5 Ų569 Ų692%0.02236%0.355CS..EExtended strand (participates in β ladder)trans-84.4138173.6-75.7-78.7000109.9V18 A534 H536 L543 V555 F610 L612V18-F584 WeakPolarHBondContact CG2-O 3.43Å; A534-F584 HydrophobicContact CB-CD2 4.15Å; A534-F584 HydrophobicContact CB-CE2 4.36Å; H536-F584 HydrophobicContact CB-CB 4.31Å; H536-F584 HydrophobicContact CB-CD1 4.34Å; H536-F584 HydrophobicContact CB-CD2 3.83Å; H536-F584 HydrophobicContact CB-CE2 4.17Å; H536-F584 HydrophobicContact CB-CG 3.9Å; H536-F584 AromaticContact CD2-CD1 3.75Å; H536-F584 AromaticContact CD2-CG 3.83Å; L543-F584 HydrophobicContact CB-CE1 4.4Å; L543-F584 HydrophobicContact CB-CZ 4.14Å; V555-F584 HydrophobicContact CG1-CE1 4.24Å; V555-F584 HydrophobicContact CG1-CZ 3.92Å; V555-F584 HydrophobicContact CG2-CZ 4.39Å; F584-F610 HydrophobicContact CD1-CD2 4.23Å; F584-F610 AromaticContact CE1-CD2 3.78Å; F584-F610 HydrophobicContact CE1-CD2 3.78Å; F584-F610 HydrophobicContact CE1-CE2 4.23Å; F584-F610 HydrophobicContact CE1-CG 4.31Å; F584-L612 HydrophobicContact CD1-CB 4.04Å; F584-L612 HydrophobicContact CD1-CD1 3.74Å; F584-L612 HydrophobicContact CD2-CD1 3.98Å; F584-L612 HydrophobicContact CE1-CB 4.05Å; F584-L612 HydrophobicContact CE1-CD1 3.81Å; F584-L612 HydrophobicContact CE1-CG 4.4Å; F584-L612 HydrophobicContact CE2-CD1 4.05Å; F584-L612 HydrophobicContact CG-CD1 3.84Å; F584-L612 HydrophobicContact CZ-CD1 3.97Å
585L86.8Confident67.3Low10 Ų1075.9 Ų75.95%0.05240%0.398CS..PPolyproline II helixtrans-76.2144.4176.4-57.3-173.3000111.1V18 L24 L46 D611 V613 W623V18-L585 HydrophobicContact CG2-CD2 4.08Å; L24-L585 HydrophobicContact CD1-CD2 4.12Å; L24-L585 HydrophobicContact CD2-CD2 3.55Å; L24-L585 HydrophobicContact CG-CD2 4.37Å; L46-L585 HydrophobicContact CD1-CD1 4.22Å; L585-D611 HydrophobicContact CB-CB 4.15Å; L585-D611 HydrophobicContact CD1-CB 3.77Å; L585-D611 HydrophobicContact CG-CB 4.13Å; L585-D611 PolarHBondContact N-O 3.48Å; L585-V613 HydrophobicContact CD1-CG2 4.06Å; L585-V613 HydrophobicContact CD2-CG2 3.92Å; L585-V613 HydrophobicContact CG-CG2 4.13Å; L585-W623 HydrophobicContact CD1-CE3 4.13Å; L585-W623 HydrophobicContact CD1-CH2 2.87Å; L585-W623 HydrophobicContact CD1-CZ2 3.54Å; L585-W623 HydrophobicContact CD1-CZ3 3.19Å; L585-W623 HydrophobicContact CG-CH2 4.33Å; L585-W623 HydrophobicContact CG-CZ3 4.5Å
586R73.9Confident64.2Low123 Ų12381.4 Ų81.446%0.46444%0.435SS..PPolyproline II helixtrans-80.7141.9177.3-166.5173.1178.5118.5-1109.9V18 D588V18-R586 HydrophobicContact CG1-CB 4.44Å; R586-D588 VanDerWaalsContact CD-OD1 3.25Å; R586-D588 WeakPolarHBondContact CD-OD1 3.36Å; R586-D588 IonicContact CZ-OD1 3.56Å; R586-D588 IonicContact NE-OD1 2.75Å; R586-D588 PolarHBondContact NE-OD1 3.17Å
587E64.7Low61.2Low43 Ų4385.8 Ų85.820%0.20145%0.447CS..  trans-110103.7167.1-171.4-177.7160.400107.1R541 S589 K606 S607R541-E587 IonicContact CZ-OE2 3.81Å; R541-E587 IonicContact NH1-OE2 3.73Å; R541-E587 PolarHBondContact NH1-OE2 3.3Å; R541-E587 IonicContact NH2-OE1 2.85Å; R541-E587 IonicContact NH2-OE2 3.09Å; R541-E587 PolarHBondContact NH2-OE2 2.99Å; E587-S589 VanDerWaalsContact C-N 3.34Å; E587-S589 PolarHBondContact O-N 3.03Å; E587-K606 WeakPolarHBondContact OE1-CA 3.21Å; E587-K606 WeakPolarHBondContact OE1-CG 3.33Å; E587-S607 PolarHBondContact OE1-N 3.15Å
588D50.5Low58.2Low78 Ų7890.4 Ų90.442%0.41746%0.464SS..  trans-76.493.7174.6-73.5-30.4000108.8R586 Y590R586-D588 VanDerWaalsContact CD-OD1 3.25Å; R586-D588 WeakPolarHBondContact CD-OD1 3.36Å; R586-D588 IonicContact CZ-OD1 3.56Å; R586-D588 IonicContact NE-OD1 2.75Å; R586-D588 PolarHBondContact NE-OD1 3.17Å; D588-Y590 PolarHBondContact O-N 2.66Å
589S34.1Very low55.1Low77 Ų7793.5 Ų93.554%0.53849%0.492SS..  trans-61.3123.5154.2-57.80000106.9E587 V591E587-S589 VanDerWaalsContact C-N 3.34Å; E587-S589 PolarHBondContact O-N 3.03Å; S589-V591 PolarHBondContact O-N 2.68Å
590Y33.3Very low52Low193 Ų19399.7 Ų99.776%0.75752%0.523SS*.  trans-34.9115.3178.3-87.2-106.8000111.9D588 L592 P604D588-Y590 PolarHBondContact O-N 2.66Å; Y590-L592 PolarHBondContact O-N 3.21Å; Y590-P604 HydrophobicContact CD2-CG 4.15Å; Y590-P604 HydrophobicContact CE2-CG 3.55Å
591V28.3Very low48.7Very low135 Ų135103.3 Ų103.382%0.81855%0.55SS*.  trans-61.8118.1157.7177.50000105S589 G593S589-V591 PolarHBondContact O-N 2.68Å; V591-G593 VanDerWaalsContact C-N 3.26Å; V591-G593 PolarHBondContact O-N 2.88Å
592L24.1Very low45.6Very low181 Ų181109.6 Ų109.695%0.94858%0.576SS**  trans-52.387.6178.3-172.269.6000109.8Y590Y590-L592 PolarHBondContact O-N 3.21Å
593G23.9Very low42.3Very low57 Ų57117 Ų11759%0.58862%0.615SS**  trans-132.3110.1-173.600000108.8V591V591-G593 VanDerWaalsContact C-N 3.26Å; V591-G593 PolarHBondContact O-N 2.88Å
594R25.1Very low39.6Very low233 Ų233119.2 Ų119.288%0.87963%0.629SS**  trans75.9106.8170.3-54.2-175.5-176.9-166.41114.8C596R594-C596 VanDerWaalsContact C-N 3.33Å; R594-C596 PolarHBondContact O-N 3.14Å
595T24.5Very low37Very low145 Ų145125.7 Ų125.789%0.8966%0.664SS**  trans-32.290.1149.9460000112.3
596C28.8Very low35.4Very low118 Ų118131.6 Ų131.680%0.79769%0.689SS**  trans-115.394.7162-87.90000106.7R594 K598R594-C596 VanDerWaalsContact C-N 3.33Å; R594-C596 PolarHBondContact O-N 3.14Å; C596-K598 PolarHBondContact O-N 2.89Å
597Q29.4Very low34.6Very low192 Ų192128.2 Ų128.290%0.89768%0.684SS**  trans-61.196.7167.9-70.1174.7-13.600108.5
598K27Very low34.9Very low173 Ų173129.8 Ų129.875%0.75269%0.694SS**  trans-166.3112.1152.4-105.7165.8-170.4-176.90108.4C596 I600C596-K598 PolarHBondContact O-N 2.89Å; K598-I600 VanDerWaalsContact C-N 3.34Å; K598-I600 PolarHBondContact O-N 2.88Å
599P28.5Very low36.5Very low136 Ų136126.5 Ų126.588%0.88368%0.677SS**  trans-80.783.6179.332.9-30.2000108.7
600I31.3Very low39Very low130 Ų130122.9 Ų122.967%0.66765%0.652SS**  trans-101.987.4168.3-57.7176000107.5K598 H602K598-I600 VanDerWaalsContact C-N 3.34Å; K598-I600 PolarHBondContact O-N 2.88Å; I600-H602 PolarHBondContact O-N 3.38Å
601S28Very low41.7Very low99 Ų99114.4 Ų114.469%0.69262%0.619SS**SBendtrans17.116.214462.90000124.4
602H31.4Very low44.7Very low146 Ų146108 Ų10868%0.67658%0.58SS**  trans-133.270.5172.3-66.5-77000109.9I600 P604I600-H602 PolarHBondContact O-N 3.38Å; H602-P604 WeakPolarHBondContact O-CD 3.48Å
603L27.9Very low47.9Very low165 Ų16599.4 Ų99.486%0.86454%0.536SS*.  trans-59.5116.7163.8-165.275.1000106.3L605L603-L605 PolarHBondContact O-N 3.4Å
604P38.3Very low51.3Low64 Ų6496.7 Ų96.742%0.41651%0.508SS..  trans-59.9118.1-177.710.4-11000107.4Y590 H602 K606Y590-P604 HydrophobicContact CD2-CG 4.15Å; Y590-P604 HydrophobicContact CE2-CG 3.55Å; H602-P604 WeakPolarHBondContact O-CD 3.48Å; P604-K606 PolarHBondContact O-N 2.88Å
605L38.1Very low54.6Low141 Ų14185.6 Ų85.674%0.73847%0.466SS*.  trans-57.7111.3-173.6-165.972.1000106.8L603 S607L603-L605 PolarHBondContact O-N 3.4Å; L605-S607 PolarHBondContact O-N 3.01Å
606K51.7Low58Low134 Ų13478.7 Ų78.758%0.58342%0.423SS*.  trans-44.3115.4172-164.3178.7-173.3176.40106.9E587 P604 D608E587-K606 WeakPolarHBondContact OE1-CA 3.21Å; E587-K606 WeakPolarHBondContact OE1-CG 3.33Å; P604-K606 PolarHBondContact O-N 2.88Å; K606-D608 PolarHBondContact O-N 2.88Å
607S57.5Low61Low52 Ų5275 Ų7536%0.36440%0.398SS..  trans-51.4115.2-176.6-72.30000107.1R541 E587 L605 S609 Y629R541-S607 PolarHBondContact NH2-O 2.78Å; E587-S607 PolarHBondContact OE1-N 3.15Å; L605-S607 PolarHBondContact O-N 3.01Å; S607-S609 PolarHBondContact O-N 2.6Å; S607-Y629 VanDerWaalsContact O-CE2 3.28Å; S607-Y629 WeakPolarHBondContact O-CE2 3.4Å
608D72.2Confident64.1Low76 Ų7667.4 Ų67.441%0.40636%0.363SS..SBendtrans-73.34.4-177.9-166.624000110.6K606 T628 Y629 S630K606-D608 PolarHBondContact O-N 2.88Å; D608-T628 HydrophobicContact CB-CG2 4.27Å; D608-T628 CarbonylContact O-C 3.56Å; D608-T628 VanDerWaalsContact O-C 3.22Å; D608-T628 WeakPolarHBondContact O-CA 3.5Å; D608-T628 WeakPolarHBondContact O-CB 3.49Å; D608-T628 WeakPolarHBondContact OD2-CB 3.43Å; D608-Y629 WeakPolarHBondContact O-CD2 3.37Å; D608-Y629 PolarHBondContact O-N 3.02Å; D608-S630 PolarHBondContact OD2-OG 2.83Å
609S83.1Confident67.1Low10 Ų1064.1 Ų64.17%0.0735%0.346CS..EExtended strand (participates in β ladder)trans-137158.2-177.653.20000110.9S607 H625S607-S609 PolarHBondContact O-N 2.6Å; S609-H625 PolarHBondContact OG-CE1 3.11Å; S609-H625 PolarHBondContact OG-NE2 3.19Å
610F87Confident70.1Confident1 Ų160 Ų600%0.00432%0.316CS..EExtended strand (participates in β ladder)trans-86.8151169.570.7-97.5000111L543 V555 I568 Y569 F584 L612 G626 P627 Y629 I632L543-F610 HydrophobicContact CD1-CB 3.66Å; L543-F610 HydrophobicContact CD1-CD1 3.65Å; L543-F610 HydrophobicContact CD1-CE1 4.49Å; L543-F610 HydrophobicContact CD1-CG 3.81Å; V555-F610 HydrophobicContact CB-CE2 4.31Å; V555-F610 HydrophobicContact CB-CZ 3.84Å; V555-F610 HydrophobicContact CG1-CE1 4.14Å; V555-F610 HydrophobicContact CG1-CE2 4.24Å; V555-F610 HydrophobicContact CG1-CZ 3.82Å; V555-F610 HydrophobicContact CG2-CE2 3.78Å; V555-F610 HydrophobicContact CG2-CZ 3.78Å; I568-F610 HydrophobicContact CD1-CD1 4.31Å; I568-F610 HydrophobicContact CD1-CE1 3.58Å; I568-F610 HydrophobicContact CD1-CZ 4.4Å; I568-F610 HydrophobicContact CG1-CE1 4.44Å; Y569-F610 HydrophobicContact CG-CZ 4.36Å; F584-F610 HydrophobicContact CD1-CD2 4.23Å; F584-F610 AromaticContact CE1-CD2 3.78Å; F584-F610 HydrophobicContact CE1-CD2 3.78Å; F584-F610 HydrophobicContact CE1-CE2 4.23Å; F584-F610 HydrophobicContact CE1-CG 4.31Å; F610-L612 HydrophobicContact CD2-CB 4.29Å; F610-L612 HydrophobicContact CE2-CB 4.3Å; F610-G626 VanDerWaalsContact CE1-CA 3.44Å; F610-G626 PolarHBondContact O-N 2.91Å; F610-P627 HydrophobicContact CE1-CG 4.35Å; F610-Y629 VanDerWaalsContact CA-OH 3.31Å; F610-Y629 WeakPolarHBondContact CA-OH 3.47Å; F610-Y629 VanDerWaalsContact CB-OH 3.3Å; F610-Y629 WeakPolarHBondContact CB-OH 3.26Å; F610-Y629 PolarHBondContact N-OH 3.29Å; F610-I632 HydrophobicContact CD1-CD1 4.1Å; F610-I632 HydrophobicContact CE1-CD1 4.31Å
611D88.7Confident73Confident14 Ų1454.4 Ų54.48%0.07529%0.288CS..EExtended strand (participates in β ladder)trans-117.9133.9166.9-68.9-47.1000109.4L585 W623 H625L585-D611 HydrophobicContact CB-CB 4.15Å; L585-D611 HydrophobicContact CD1-CB 3.77Å; L585-D611 HydrophobicContact CG-CB 4.13Å; L585-D611 PolarHBondContact N-O 3.48Å; D611-W623 HydrophobicContact CB-CH2 4.28Å; D611-W623 HydrophobicContact CB-CZ2 3.48Å; D611-W623 VanDerWaalsContact CB-CZ2 3.48Å; D611-W623 PolarHBondContact OD1-NE1 2.77Å; D611-W623 WeakPolarHBondContact OD2-CZ2 3.24Å; D611-H625 IonicContact OD1-CE1 3.05Å; D611-H625 IonicContact OD1-CG 3.38Å; D611-H625 IonicContact OD1-ND1 3.41Å; D611-H625 PolarHBondContact OD1-ND1 2.82Å
612L92.1Very high75.9Confident0 Ų051 Ų510%026%0.261CS..EExtended strand (participates in β ladder)trans-127.8140.3178.7176.179000108.6V553 V555 L582 T583 F584 F610 H624V553-L612 HydrophobicContact CG1-CD2 3.61Å; V555-L612 HydrophobicContact CG2-CD2 3.85Å; L582-L612 HydrophobicContact CB-CD1 4.36Å; L582-L612 HydrophobicContact CD1-CD1 3.56Å; L582-L612 HydrophobicContact CD1-CD2 4.35Å; L582-L612 HydrophobicContact CD1-CG 4.45Å; T583-L612 VanDerWaalsContact C-CD1 3.48Å; T583-L612 VanDerWaalsContact O-CD1 3.24Å; T583-L612 WeakPolarHBondContact O-CD1 3.39Å; F584-L612 HydrophobicContact CD1-CB 4.04Å; F584-L612 HydrophobicContact CD1-CD1 3.74Å; F584-L612 HydrophobicContact CD2-CD1 3.98Å; F584-L612 HydrophobicContact CE1-CB 4.05Å; F584-L612 HydrophobicContact CE1-CD1 3.81Å; F584-L612 HydrophobicContact CE1-CG 4.4Å; F584-L612 HydrophobicContact CE2-CD1 4.05Å; F584-L612 HydrophobicContact CG-CD1 3.84Å; F584-L612 HydrophobicContact CZ-CD1 3.97Å; F610-L612 HydrophobicContact CD2-CB 4.29Å; F610-L612 HydrophobicContact CE2-CB 4.3Å; L612-H624 HydrophobicContact CB-CB 4.03Å; L612-H624 HydrophobicContact CD2-CB 4.4Å; L612-H624 PolarHBondContact N-O 3.42Å; L612-H624 WeakPolarHBondContact O-CA 3.41Å; L612-H624 WeakPolarHBondContact O-CB 3.02Å; L612-H624 PolarHBondContact O-N 3.34Å
613V92.3Very high78.5Confident1 Ų145.1 Ų45.11%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-116.8135.1175177.60000109.1V16 L24 L582 T583 L585 V621 K622 W623V16-V613 HydrophobicContact CG2-CG1 4.32Å; L24-V613 HydrophobicContact CD1-CB 4.27Å; L24-V613 HydrophobicContact CD1-CG1 4.1Å; L24-V613 HydrophobicContact CD1-CG2 3.94Å; L582-V613 CarbonylContact C-O 3.57Å; L582-V613 WeakPolarHBondContact CA-O 3.49Å; L582-V613 WeakPolarHBondContact CB-O 3.3Å; T583-V613 PolarHBondContact N-O 2.89Å; T583-V613 PolarHBondContact O-N 2.91Å; L585-V613 HydrophobicContact CD1-CG2 4.06Å; L585-V613 HydrophobicContact CD2-CG2 3.92Å; L585-V613 HydrophobicContact CG-CG2 4.13Å; V613-V621 HydrophobicContact CG1-CG1 3.33Å; V613-K622 WeakPolarHBondContact CA-O 3.46Å; V613-W623 HydrophobicContact CG2-CD2 4.35Å; V613-W623 HydrophobicContact CG2-CE3 3.57Å; V613-W623 HydrophobicContact CG2-CZ3 3.86Å
614S95Very high81.4Confident0 Ų037.3 Ų37.30%019%0.192CC..EExtended strand (participates in β ladder)trans-121.3151.9173.868.20000111.4H575 K622 H624H575-S614 PolarHBondContact CD2-OG 2.8Å; H575-S614 PolarHBondContact NE2-OG 3.05Å; S614-K622 PolarHBondContact N-O 2.88Å; S614-K622 PolarHBondContact O-N 2.85Å; S614-H624 PolarHBondContact OG-NE2 2.82Å
615V94.8Very high83.7Confident0 Ų036.8 Ų36.80%018%0.183CC..EExtended strand (participates in β ladder)trans-132.1158.2175.9-62.50000110.9L13 V16 V26 T580 A581 V621L13-V615 HydrophobicContact CB-CB 3.85Å; L13-V615 HydrophobicContact CB-CG1 4.47Å; L13-V615 HydrophobicContact CB-CG2 4.25Å; L13-V615 HydrophobicContact CD1-CB 3.99Å; L13-V615 HydrophobicContact CD1-CG1 3.85Å; V16-V615 HydrophobicContact CB-CG1 3.83Å; V16-V615 HydrophobicContact CB-CG2 3.93Å; V16-V615 HydrophobicContact CG1-CG1 4.06Å; V16-V615 HydrophobicContact CG1-CG2 3.75Å; V16-V615 HydrophobicContact CG2-CG1 4.3Å; V26-V615 HydrophobicContact CG1-CG1 4.47Å; T580-V615 PolarHBondContact N-O 2.69Å; T580-V615 PolarHBondContact OG1-O 2.66Å; T580-V615 VanDerWaalsContact OG1-O 3.04Å; A581-V615 HydrophobicContact CB-CG2 3.78Å; A581-V615 WeakPolarHBondContact O-CG2 3.49Å; A581-V615 PolarHBondContact O-N 2.88Å; V615-V621 HydrophobicContact CG1-CB 4.37Å; V615-V621 HydrophobicContact CG1-CG1 4.34Å; V615-V621 HydrophobicContact CG1-CG2 3.86Å
616S95.2Very high86Confident0 Ų030.4 Ų30.40%015%0.151CC..EExtended strand (participates in β ladder)trans-151.3172.8178.4179.50000111.8L13 H575 F578 T580 D618 R619L13-S616 PolarHBondContact N-O 3.35Å; L13-S616 CarbonylContact O-C 3.54Å; H575-S616 WeakPolarHBondContact ND1-CB 3.47Å; F578-S616 WeakPolarHBondContact O-CB 3.38Å; F578-S616 PolarHBondContact O-OG 3.42Å; T580-S616 WeakPolarHBondContact OG1-CA 3.27Å; T580-S616 PolarHBondContact OG1-N 2.85Å; S616-D618 WeakPolarHBondContact CB-OD1 3.26Å; S616-D618 PolarHBondContact O-N 2.88Å; S616-R619 PolarHBondContact O-N 2.91Å; S616-R619 VanDerWaalsContact O-N 3.11Å
617V92.5Very high87.7Confident42 Ų4225.7 Ų25.726%0.25513%0.134SC..THydrogen-bonded Turntrans-62.9-16172.1-172.30000111.8P12 Y14 F578 T580 R619P12-V617 HydrophobicContact CB-CB 4.22Å; P12-V617 HydrophobicContact CB-CG1 3.66Å; Y14-V617 HydrophobicContact CE1-CG2 3.99Å; F578-V617 HydrophobicContact CE1-CG2 4.04Å; F578-V617 HydrophobicContact CE2-CG2 3.87Å; F578-V617 HydrophobicContact CZ-CG2 3.48Å; F578-V617 VanDerWaalsContact CZ-CG2 3.48Å; T580-V617 HydrophobicContact CG2-CG2 3.61Å; V617-R619 WeakPolarHBondContact O-CG 3.36Å; V617-R619 PolarHBondContact O-N 2.99Å; V617-R619 VanDerWaalsContact O-N 3.08Å
618D92.8Very high89Confident31 Ų3125 Ų2517%0.16613%0.128CC..THydrogen-bonded Turntrans-65.3-2.5170.675.6-10.9000113.9H575 P576 S616 L620 K622H575-D618 IonicContact CE1-OD1 2.75Å; H575-D618 IonicContact CE1-OD2 3.22Å; H575-D618 IonicContact CG-OD2 3.35Å; H575-D618 VanDerWaalsContact ND1-CG 3.28Å; H575-D618 IonicContact ND1-OD1 2.8Å; H575-D618 PolarHBondContact ND1-OD1 2.64Å; H575-D618 VanDerWaalsContact ND1-OD1 3.15Å; H575-D618 IonicContact ND1-OD2 3.04Å; H575-D618 PolarHBondContact ND1-OD2 2.89Å; P576-D618 VanDerWaalsContact CD-OD2 3.23Å; P576-D618 WeakPolarHBondContact CD-OD2 3.22Å; P576-D618 HydrophobicContact CG-CB 4.1Å; S616-D618 WeakPolarHBondContact CB-OD1 3.26Å; S616-D618 PolarHBondContact O-N 2.88Å; D618-L620 PolarHBondContact O-N 3.07Å; D618-L620 WeakPolarHBondContact OD1-CB 3.46Å; D618-L620 PolarHBondContact OD1-N 2.79Å; D618-K622 IonicContact OD2-NZ 3.25Å
619R91.7Very high89.5Confident105 Ų10523.6 Ų23.640%0.39612%0.117SC..SBendtrans67.620.3176.8-36.9-176.9-174-176.8-3113.2G8 F9 P10 Y11 S616 V617G8-R619 WeakPolarHBondContact CA-O 3.44Å; F9-R619 HydrophobicContact CB-CB 4.28Å; F9-R619 PolarHBondContact N-O 3.01Å; F9-R619 VanDerWaalsContact O-CB 3.26Å; F9-R619 WeakPolarHBondContact O-CB 3.18Å; F9-R619 WeakPolarHBondContact O-CD 3.29Å; P10-R619 PolarHBondContact O-NH1 3.49Å; P10-R619 VanDerWaalsContact O-NH1 3.15Å; Y11-R619 WeakPolarHBondContact O-CB 3.33Å; Y11-R619 WeakPolarHBondContact O-CG 3.37Å; S616-R619 PolarHBondContact O-N 2.91Å; S616-R619 VanDerWaalsContact O-N 3.11Å; V617-R619 WeakPolarHBondContact O-CG 3.36Å; V617-R619 PolarHBondContact O-N 2.99Å; V617-R619 VanDerWaalsContact O-N 3.08Å
620L91.1Very high89.4Confident50 Ų5026 Ų2626%0.26213%0.134SC..EExtended strand (participates in β ladder)trans-111.2141.1179.7-57.9179.3000110.4A6 H575 D618 K622A6-L620 HydrophobicContact CB-CB 4.49Å; A6-L620 HydrophobicContact CB-CD1 4.48Å; A6-L620 HydrophobicContact CB-CD2 4.18Å; H575-L620 PolarHBondContact CE1-O 2.79Å; D618-L620 PolarHBondContact O-N 3.07Å; D618-L620 WeakPolarHBondContact OD1-CB 3.46Å; D618-L620 PolarHBondContact OD1-N 2.79Å; L620-K622 HydrophobicContact CB-CG 4.49Å
621V90.7Very high89.2Confident12 Ų1228.1 Ų28.17%0.07315%0.148CC..EExtended strand (participates in β ladder)trans-95.7129.5162.3-1790000107.6A6 L7 F9 L13 V26 I44 V613 V615A6-V621 WeakPolarHBondContact CA-O 3.42Å; L7-V621 PolarHBondContact O-N 2.92Å; F9-V621 HydrophobicContact CD2-CG2 4.28Å; F9-V621 HydrophobicContact CE2-CG2 3.55Å; F9-V621 HydrophobicContact CZ-CG2 4.31Å; L13-V621 HydrophobicContact CD1-CG2 3.63Å; V26-V621 HydrophobicContact CG1-CG2 4.2Å; I44-V621 HydrophobicContact CD1-CG1 4.35Å; I44-V621 HydrophobicContact CD1-CG2 4.34Å; V613-V621 HydrophobicContact CG1-CG1 3.33Å; V615-V621 HydrophobicContact CG1-CB 4.37Å; V615-V621 HydrophobicContact CG1-CG1 4.34Å; V615-V621 HydrophobicContact CG1-CG2 3.86Å
622K89Confident88.9Confident28 Ų2827.6 Ų27.612%0.12215%0.145CC..EExtended strand (participates in β ladder)trans-122.6138.1179.9-66.8-173.2-171.5-171.60112A574 V613 S614 D618 L620A574-K622 WeakPolarHBondContact O-CD 3.36Å; A574-K622 VanDerWaalsContact O-CE 3.25Å; A574-K622 WeakPolarHBondContact O-CE 3.35Å; A574-K622 PolarHBondContact O-NZ 2.75Å; V613-K622 WeakPolarHBondContact CA-O 3.46Å; S614-K622 PolarHBondContact N-O 2.88Å; S614-K622 PolarHBondContact O-N 2.85Å; D618-K622 IonicContact OD2-NZ 3.25Å; L620-K622 HydrophobicContact CB-CG 4.49Å
623W87.3Confident88.2Confident22 Ų2228.9 Ų28.98%0.08316%0.157CC..EExtended strand (participates in β ladder)trans-96.1134.5178.6-166.4-84.1000111.8L46 P56 L585 D611 V613L46-W623 HydrophobicContact CD1-CH2 4.24Å; L46-W623 HydrophobicContact CD1-CZ3 3.89Å; L46-W623 HydrophobicContact CD2-CZ3 4.1Å; P56-W623 VanDerWaalsContact CD-CE2 3.49Å; P56-W623 HydrophobicContact CG-CD2 3.96Å; P56-W623 HydrophobicContact CG-CE3 3.54Å; P56-W623 HydrophobicContact CG-CH2 3.64Å; P56-W623 HydrophobicContact CG-CZ2 4.13Å; P56-W623 HydrophobicContact CG-CZ3 3.39Å; L585-W623 HydrophobicContact CD1-CE3 4.13Å; L585-W623 HydrophobicContact CD1-CH2 2.87Å; L585-W623 HydrophobicContact CD1-CZ2 3.54Å; L585-W623 HydrophobicContact CD1-CZ3 3.19Å; L585-W623 HydrophobicContact CG-CH2 4.33Å; L585-W623 HydrophobicContact CG-CZ3 4.5Å; D611-W623 HydrophobicContact CB-CH2 4.28Å; D611-W623 HydrophobicContact CB-CZ2 3.48Å; D611-W623 VanDerWaalsContact CB-CZ2 3.48Å; D611-W623 PolarHBondContact OD1-NE1 2.77Å; D611-W623 WeakPolarHBondContact OD2-CZ2 3.24Å; V613-W623 HydrophobicContact CG2-CD2 4.35Å; V613-W623 HydrophobicContact CG2-CE3 3.57Å; V613-W623 HydrophobicContact CG2-CZ3 3.86Å
624H88.4Confident87.4Confident1 Ų133.5 Ų33.51%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-122106.8176.6-61.8-92.8000109.1Y569 L612 S614Y569-H624 HydrophobicContact CE1-CB 4.24Å; Y569-H624 AromaticContact CE1-ND1 3.59Å; Y569-H624 AromaticContact CZ-ND1 3.65Å; Y569-H624 PolarHBondContact OH-ND1 2.89Å; L612-H624 HydrophobicContact CB-CB 4.03Å; L612-H624 HydrophobicContact CD2-CB 4.4Å; L612-H624 PolarHBondContact N-O 3.42Å; L612-H624 WeakPolarHBondContact O-CA 3.41Å; L612-H624 WeakPolarHBondContact O-CB 3.02Å; L612-H624 PolarHBondContact O-N 3.34Å; S614-H624 PolarHBondContact OG-NE2 2.82Å
625H86.6Confident86.3Confident53 Ų5336.9 Ų36.925%0.24520%0.195CC..EExtended strand (participates in β ladder)trans-90.4122.4173.2-169.273000109.7S609 D611S609-H625 PolarHBondContact OG-CE1 3.11Å; S609-H625 PolarHBondContact OG-NE2 3.19Å; D611-H625 IonicContact OD1-CE1 3.05Å; D611-H625 IonicContact OD1-CG 3.38Å; D611-H625 IonicContact OD1-ND1 3.41Å; D611-H625 PolarHBondContact OD1-ND1 2.82Å
626G86.5Confident85.1Confident6 Ų637.6 Ų37.66%0.06220%0.2CC..EExtended strand (participates in β ladder)trans-80.8167-178.500000114.4F610F610-G626 VanDerWaalsContact CE1-CA 3.44Å; F610-G626 PolarHBondContact O-N 2.91Å
627P86.8Confident83.7Confident35 Ų3543.8 Ų43.823%0.22723%0.229CC..EExtended strand (participates in β ladder)trans-62163.1165.529-36.7000111.6F610 T631 I632F610-P627 HydrophobicContact CE1-CG 4.35Å; P627-T631 HydrophobicContact CB-CG2 4.29Å; P627-I632 HydrophobicContact CG-CD1 4.3Å; P627-I632 HydrophobicContact CG-CG1 3.95Å
628T85.9Confident82.1Confident38 Ų3844.4 Ų44.423%0.23324%0.243CC..EExtended strand (participates in β ladder)trans-68.9151.8177.6590000112.5D608 S630 T631 I632D608-T628 HydrophobicContact CB-CG2 4.27Å; D608-T628 CarbonylContact O-C 3.56Å; D608-T628 VanDerWaalsContact O-C 3.22Å; D608-T628 WeakPolarHBondContact O-CA 3.5Å; D608-T628 WeakPolarHBondContact O-CB 3.49Å; D608-T628 WeakPolarHBondContact OD2-CB 3.43Å; T628-S630 WeakPolarHBondContact CB-OG 3.25Å; T628-S630 PolarHBondContact O-N 2.93Å; T628-S630 PolarHBondContact OG1-OG 3.21Å; T628-T631 CarbonylContact O-C 3.6Å; T628-T631 WeakPolarHBondContact O-CA 3.44Å; T628-T631 VanDerWaalsContact O-CB 3.26Å; T628-T631 WeakPolarHBondContact O-CB 3.47Å; T628-T631 PolarHBondContact O-N 2.65Å; T628-T631 WeakPolarHBondContact OG1-CB 3.02Å; T628-T631 PolarHBondContact OG1-N 3.47Å; T628-T631 PolarHBondContact OG1-OG1 3.07Å; T628-I632 WeakPolarHBondContact O-CG1 3.43Å; T628-I632 PolarHBondContact O-N 2.74Å
629Y82.5Confident80.3Confident46 Ų4647.9 Ų47.918%0.1826%0.261CS..Hα-helixtrans-62.4-33.8177.8-67.1-64.6000111.7R541 L543 S607 D608 F610 T631 I632 G633R541-Y629 VanDerWaalsContact CD-OH 3.26Å; R541-Y629 WeakPolarHBondContact CD-OH 3.29Å; R541-Y629 HydrophobicContact CG-CE1 3.91Å; R541-Y629 PolarHBondContact NE-OH 2.62Å; R541-Y629 PolarHBondContact NH1-OH 2.78Å; L543-Y629 HydrophobicContact CD1-CE1 3.96Å; S607-Y629 VanDerWaalsContact O-CE2 3.28Å; S607-Y629 WeakPolarHBondContact O-CE2 3.4Å; D608-Y629 WeakPolarHBondContact O-CD2 3.37Å; D608-Y629 PolarHBondContact O-N 3.02Å; F610-Y629 VanDerWaalsContact CA-OH 3.31Å; F610-Y629 WeakPolarHBondContact CA-OH 3.47Å; F610-Y629 VanDerWaalsContact CB-OH 3.3Å; F610-Y629 WeakPolarHBondContact CB-OH 3.26Å; F610-Y629 PolarHBondContact N-OH 3.29Å; Y629-T631 VanDerWaalsContact C-N 3.27Å; Y629-T631 PolarHBondContact O-N 2.97Å; Y629-I632 HydrophobicContact CD1-CD1 3.85Å; Y629-I632 HydrophobicContact CE1-CD1 4.14Å; Y629-I632 PolarHBondContact O-N 3.15Å; Y629-G633 PolarHBondContact O-N 2.98Å
630S81Confident78.4Confident61 Ų6148.8 Ų48.843%0.42727%0.272SS..Hα-helixtrans-58.3-38.6168.453.20000112.5D608 T628 K634D608-S630 PolarHBondContact OD2-OG 2.83Å; T628-S630 WeakPolarHBondContact CB-OG 3.25Å; T628-S630 PolarHBondContact O-N 2.93Å; T628-S630 PolarHBondContact OG1-OG 3.21Å; S630-K634 VanDerWaalsContact O-CG 3.31Å; S630-K634 WeakPolarHBondContact O-CG 3.47Å; S630-K634 PolarHBondContact O-N 3.39Å
631T82.5Confident76.1Confident46 Ų4650.3 Ų50.328%0.28228%0.281SS..Hα-helixtrans-73.1-41.2174.5-56.40000111.4P627 T628 Y629 G633 K634 L635P627-T631 HydrophobicContact CB-CG2 4.29Å; T628-T631 CarbonylContact O-C 3.6Å; T628-T631 WeakPolarHBondContact O-CA 3.44Å; T628-T631 VanDerWaalsContact O-CB 3.26Å; T628-T631 WeakPolarHBondContact O-CB 3.47Å; T628-T631 PolarHBondContact O-N 2.65Å; T628-T631 WeakPolarHBondContact OG1-CB 3.02Å; T628-T631 PolarHBondContact OG1-N 3.47Å; T628-T631 PolarHBondContact OG1-OG1 3.07Å; Y629-T631 VanDerWaalsContact C-N 3.27Å; Y629-T631 PolarHBondContact O-N 2.97Å; T631-G633 VanDerWaalsContact C-N 3.35Å; T631-G633 PolarHBondContact O-N 2.77Å; T631-K634 PolarHBondContact O-N 3.4Å; T631-L635 HydrophobicContact CG2-CD1 4.19Å; T631-L635 HydrophobicContact CG2-CG 4.43Å; T631-L635 VanDerWaalsContact O-CG 3.32Å; T631-L635 WeakPolarHBondContact O-CG 3.34Å; T631-L635 PolarHBondContact O-N 3.06Å
632I82.7Confident73.9Confident3 Ų356.1 Ų56.12%0.01531%0.31CS..Hα-helixtrans-60.3-44.9176.6-64.8167.1000110.6L543 F557 I568 F610 P627 T628 Y629 K634 L635 S636L543-I632 HydrophobicContact CD2-CD1 4.48Å; F557-I632 HydrophobicContact CB-CG2 4.04Å; F557-I632 HydrophobicContact CD1-CG2 3.97Å; F557-I632 HydrophobicContact CD2-CG2 3.62Å; F557-I632 HydrophobicContact CE1-CG2 4.33Å; F557-I632 HydrophobicContact CE2-CG2 4Å; F557-I632 HydrophobicContact CG-CG2 3.59Å; F557-I632 HydrophobicContact CZ-CG2 4.34Å; I568-I632 HydrophobicContact CD1-CD1 3.58Å; I568-I632 HydrophobicContact CD1-CG1 3.77Å; I568-I632 HydrophobicContact CD1-CG2 4.37Å; I568-I632 HydrophobicContact CG2-CG2 4.37Å; F610-I632 HydrophobicContact CD1-CD1 4.1Å; F610-I632 HydrophobicContact CE1-CD1 4.31Å; P627-I632 HydrophobicContact CG-CD1 4.3Å; P627-I632 HydrophobicContact CG-CG1 3.95Å; T628-I632 WeakPolarHBondContact O-CG1 3.43Å; T628-I632 PolarHBondContact O-N 2.74Å; Y629-I632 HydrophobicContact CD1-CD1 3.85Å; Y629-I632 HydrophobicContact CE1-CD1 4.14Å; Y629-I632 PolarHBondContact O-N 3.15Å; I632-K634 VanDerWaalsContact C-N 3.35Å; I632-K634 PolarHBondContact O-N 2.74Å; I632-L635 PolarHBondContact O-N 3.4Å; I632-S636 PolarHBondContact O-N 2.93Å
633G76.2Confident71.6Confident26 Ų2660.8 Ų60.827%0.26834%0.336SS..Hα-helixtrans-63.6-37.2176.100000113.1Y629 T631 S636 H637Y629-G633 PolarHBondContact O-N 2.98Å; T631-G633 VanDerWaalsContact C-N 3.35Å; T631-G633 PolarHBondContact O-N 2.77Å; G633-S636 WeakPolarHBondContact CA-OG 3.45Å; G633-S636 PolarHBondContact O-N 2.92Å; G633-S636 PolarHBondContact O-OG 2.77Å; G633-H637 PolarHBondContact O-CD2 2.85Å; G633-H637 PolarHBondContact O-N 3.2Å; G633-H637 VanDerWaalsContact O-N 3.16Å
634K77.1Confident69.4Low98 Ų9865.5 Ų65.543%0.42636%0.363SS..Hα-helixtrans-65.9-43.1173.1-73.3173.2-177.2-1790111.7S630 T631 I632 S636 H637 G638 I639S630-K634 VanDerWaalsContact O-CG 3.31Å; S630-K634 WeakPolarHBondContact O-CG 3.47Å; S630-K634 PolarHBondContact O-N 3.39Å; T631-K634 PolarHBondContact O-N 3.4Å; I632-K634 VanDerWaalsContact C-N 3.35Å; I632-K634 PolarHBondContact O-N 2.74Å; K634-S636 VanDerWaalsContact C-N 3.32Å; K634-S636 PolarHBondContact O-N 2.96Å; K634-H637 PolarHBondContact O-N 2.89Å; K634-G638 PolarHBondContact O-N 2.92Å; K634-I639 PolarHBondContact O-N 2.73Å
635L70.8Confident67.2Low72 Ų7268.9 Ų68.938%0.37738%0.381SS..Hα-helixtrans-62.8-37.9175.6-70.3171.5000111.7I568 T631 I632 G638I568-L635 HydrophobicContact CG2-CD1 4.37Å; T631-L635 HydrophobicContact CG2-CD1 4.19Å; T631-L635 HydrophobicContact CG2-CG 4.43Å; T631-L635 VanDerWaalsContact O-CG 3.32Å; T631-L635 WeakPolarHBondContact O-CG 3.34Å; T631-L635 PolarHBondContact O-N 3.06Å; I632-L635 PolarHBondContact O-N 3.4Å; L635-G638 PolarHBondContact O-N 2.93Å; L635-G638 VanDerWaalsContact O-N 3.15Å
636S69.7Low65.3Low14 Ų1471.3 Ų71.310%0.09840%0.4CS..Hα-helixtrans-69.3-31.8178.566.80000113.8F557 I632 G633 K634 G638F557-S636 VanDerWaalsContact CE1-CB 3.41Å; I632-S636 PolarHBondContact O-N 2.93Å; G633-S636 WeakPolarHBondContact CA-OG 3.45Å; G633-S636 PolarHBondContact O-N 2.92Å; G633-S636 PolarHBondContact O-OG 2.77Å; K634-S636 VanDerWaalsContact C-N 3.32Å; K634-S636 PolarHBondContact O-N 2.96Å; S636-G638 PolarHBondContact O-N 3Å
637H66Low63.4Low131 Ų13175 Ų7561%0.60642%0.424SS*.THydrogen-bonded Turntrans-81.93.6173.3-71.5-59.4000113.5G633 K634 I639G633-H637 PolarHBondContact O-CD2 2.85Å; G633-H637 PolarHBondContact O-N 3.2Å; G633-H637 VanDerWaalsContact O-N 3.16Å; K634-H637 PolarHBondContact O-N 2.89Å; H637-I639 HydrophobicContact CB-CD1 3.94Å; H637-I639 HydrophobicContact CB-CG1 3.89Å; H637-I639 PolarHBondContact O-N 2.93Å
638G59.1Low61.2Low54 Ų5477.2 Ų77.256%0.55743%0.434SS*.THydrogen-bonded Turntrans6613-175.300000113.4K634 L635 S636 I640K634-G638 PolarHBondContact O-N 2.92Å; L635-G638 PolarHBondContact O-N 2.93Å; L635-G638 VanDerWaalsContact O-N 3.15Å; S636-G638 PolarHBondContact O-N 3Å; G638-I640 PolarHBondContact O-N 2.88Å
639I55.7Low59.1Low104 Ų10480.2 Ų80.253%0.53345%0.448SS..  trans-78.882.3176-54.9173.5000106.5K634 H637 N641K634-I639 PolarHBondContact O-N 2.73Å; H637-I639 HydrophobicContact CB-CD1 3.94Å; H637-I639 HydrophobicContact CB-CG1 3.89Å; H637-I639 PolarHBondContact O-N 2.93Å; I639-N641 PolarHBondContact O-N 3.37Å
640I50.4Low57.3Low124 Ų12486.3 Ų86.364%0.63648%0.476SS*.  trans-57.3122.8172.9-64.2166.4000107.1G638 I642G638-I640 PolarHBondContact O-N 2.88Å; I640-I642 PolarHBondContact O-N 3.02Å
641N42.6Very low55.6Low83 Ų8393.2 Ų93.244%0.44449%0.492SS..  trans-61.8101-179.9-157.62.5000109.1I639 N643 N644I639-N641 PolarHBondContact O-N 3.37Å; N641-N643 PolarHBondContact O-N 3Å; N641-N644 PolarHBondContact O-N 2.85Å
642I44.9Very low53.9Low134 Ų13496.5 Ų96.569%0.68751%0.507SS*.G310 helixtrans-55-21.1-179-66.9165.8000111.5I640 N644 N645I640-I642 PolarHBondContact O-N 3.02Å; I642-N644 PolarHBondContact O-N 2.83Å; I642-N645 WeakPolarHBondContact O-CB 3.3Å; I642-N645 PolarHBondContact O-N 3.35Å; I642-N645 VanDerWaalsContact O-N 3.15Å
643N41.6Very low52.4Low125 Ų125100.4 Ų100.467%0.66853%0.527SS*.G310 helixtrans-67.7-28.8-178.8-104.54.3000115.3N641 N645N641-N643 PolarHBondContact O-N 3Å; N643-N645 VanDerWaalsContact C-N 3.29Å
644N41.5Very low51.2Low121 Ų121104.6 Ų104.665%0.64754%0.539SS*.G310 helixtrans-79.3-16.5174.9-87.8-0.9000112.8N641 I642 V646 S647 L648N641-N644 PolarHBondContact O-N 2.85Å; I642-N644 PolarHBondContact O-N 2.83Å; N644-V646 PolarHBondContact O-N 3.19Å; N644-S647 PolarHBondContact O-N 3.1Å; N644-S647 VanDerWaalsContact O-N 3.15Å; N644-S647 PolarHBondContact O-OG 3.13Å; N644-L648 PolarHBondContact O-N 3.08Å
645N40.7Very low50.3Low72 Ų72104.2 Ų104.239%0.38555%0.547SS..Hα-helixtrans-72.3-11.1174.2-90.7-8.3000113.2I642 N643 S647 L648 L649I642-N645 WeakPolarHBondContact O-CB 3.3Å; I642-N645 PolarHBondContact O-N 3.35Å; I642-N645 VanDerWaalsContact O-N 3.15Å; N643-N645 VanDerWaalsContact C-N 3.29Å; N645-S647 PolarHBondContact O-N 3.11Å; N645-L648 PolarHBondContact O-N 2.9Å; N645-L649 WeakPolarHBondContact O-CA 3.4Å; N645-L649 WeakPolarHBondContact O-CB 3.49Å; N645-L649 PolarHBondContact O-N 2.97Å
646V47.3Very low49.7Very low105 Ų105107.8 Ų107.864%0.63656%0.559SS**Hα-helixtrans-64.7-28.8168.7-174.70000110.6N644 K650N644-V646 PolarHBondContact O-N 3.19Å; V646-K650 VanDerWaalsContact O-CB 3.24Å; V646-K650 WeakPolarHBondContact O-CB 3.12Å
647S47.1Very low49.4Very low82 Ų82110.6 Ų110.657%0.57358%0.576SS**Hα-helixtrans-84.3-39.4172.6760000113N644 N645 K650 R651N644-S647 PolarHBondContact O-N 3.1Å; N644-S647 VanDerWaalsContact O-N 3.15Å; N644-S647 PolarHBondContact O-OG 3.13Å; N645-S647 PolarHBondContact O-N 3.11Å; S647-K650 PolarHBondContact O-N 3.01Å; S647-R651 WeakPolarHBondContact O-CB 3.14Å; S647-R651 PolarHBondContact O-N 3.06Å
648L40.9Very low49.3Very low83 Ų83107 Ų10744%0.43557%0.565SS.*Hα-helixtrans-80.2-36.5-173.9-135.4159.3000111.8N644 N645 K650 R651 I652N644-L648 PolarHBondContact O-N 3.08Å; N645-L648 PolarHBondContact O-N 2.9Å; L648-K650 VanDerWaalsContact C-N 3.31Å; L648-R651 CarbonylContact O-C 3.54Å; L648-R651 PolarHBondContact O-N 3.09Å; L648-R651 VanDerWaalsContact O-N 3.1Å; L648-I652 HydrophobicContact CD2-CD1 3.22Å; L648-I652 HydrophobicContact CD2-CG1 3.7Å; L648-I652 WeakPolarHBondContact O-CB 3.47Å; L648-I652 WeakPolarHBondContact O-CG1 3.28Å; L648-I652 PolarHBondContact O-N 3.35Å
649L40.3Very low50Low101 Ų101109.4 Ų109.453%0.52956%0.564SS.*Hα-helixtrans-64.9-37.1168.2-158.883.6000110.5N645 R651 I653N645-L649 WeakPolarHBondContact O-CA 3.4Å; N645-L649 WeakPolarHBondContact O-CB 3.49Å; N645-L649 PolarHBondContact O-N 2.97Å; L649-R651 PolarHBondContact O-N 2.83Å; L649-I653 HydrophobicContact CD1-CD1 4.39Å; L649-I653 HydrophobicContact CD2-CD1 3.88Å; L649-I653 HydrophobicContact CG-CD1 3.64Å; L649-I653 HydrophobicContact CG-CG1 4.16Å; L649-I653 WeakPolarHBondContact O-CB 3.46Å; L649-I653 WeakPolarHBondContact O-CG1 3.18Å; L649-I653 PolarHBondContact O-N 3.41Å
650K45.3Very low51Low174 Ų174112.7 Ų112.776%0.75757%0.571SS**Hα-helixtrans-69-20.8173.1-148.9177.1-166.1-178.90113V646 S647 L648V646-K650 VanDerWaalsContact O-CB 3.24Å; V646-K650 WeakPolarHBondContact O-CB 3.12Å; S647-K650 PolarHBondContact O-N 3.01Å; L648-K650 VanDerWaalsContact C-N 3.31Å
651R44.5Very low52.3Low206 Ų206110.6 Ų110.678%0.77756%0.564SS**Hα-helixtrans-92.1-33.8176.1-155.2175.4-166.1-1723.6113.5S647 L648 L649S647-R651 WeakPolarHBondContact O-CB 3.14Å; S647-R651 PolarHBondContact O-N 3.06Å; L648-R651 CarbonylContact O-C 3.54Å; L648-R651 PolarHBondContact O-N 3.09Å; L648-R651 VanDerWaalsContact O-N 3.1Å; L649-R651 PolarHBondContact O-N 2.83Å
652I48Very low53.9Low115 Ų115112.1 Ų112.159%0.5957%0.571SS**Hα-helixtrans-79.3-35.1176.3-70.4171.7000110.8L648 H654L648-I652 HydrophobicContact CD2-CD1 3.22Å; L648-I652 HydrophobicContact CD2-CG1 3.7Å; L648-I652 WeakPolarHBondContact O-CB 3.47Å; L648-I652 WeakPolarHBondContact O-CG1 3.28Å; L648-I652 PolarHBondContact O-N 3.35Å; I652-H654 PolarHBondContact O-N 3.32Å
653I50.3Low55.5Low85 Ų85109 Ų10944%0.43656%0.56SS.*SBendtrans-76.664.3163.9-52.2172.4000107.3L649 C658L649-I653 HydrophobicContact CD1-CD1 4.39Å; L649-I653 HydrophobicContact CD2-CD1 3.88Å; L649-I653 HydrophobicContact CG-CD1 3.64Å; L649-I653 HydrophobicContact CG-CG1 4.16Å; L649-I653 WeakPolarHBondContact O-CB 3.46Å; L649-I653 WeakPolarHBondContact O-CG1 3.18Å; L649-I653 PolarHBondContact O-N 3.41Å; I653-C658 HydrophobicContact CG2-CB 3.89Å
654H52.4Low57.3Low113 Ų113108.9 Ų108.952%0.52356%0.559SS.*  trans-57.1128159.1-132.3-73.4000105.4I652 K656 T657 C658I652-H654 PolarHBondContact O-N 3.32Å; H654-K656 PolarHBondContact O-N 2.95Å; H654-T657 WeakPolarHBondContact CB-OG1 3.31Å; H654-T657 PolarHBondContact O-N 2.83Å; H654-T657 PolarHBondContact O-OG1 2.75Å; H654-C658 PolarHBondContact O-N 3.18Å
655P57.8Low59.2Low91 Ų91108.7 Ų108.759%0.59155%0.553SS**Hα-helixtrans-54.5-28.9-175.717.3-30.5000111.9I659P655-I659 WeakPolarHBondContact O-CD1 3.45Å; P655-I659 VanDerWaalsContact O-CG1 3.22Å; P655-I659 WeakPolarHBondContact O-CG1 3.28Å; P655-I659 PolarHBondContact O-N 2.98Å; P655-I659 VanDerWaalsContact O-N 3.14Å
656K57.9Low61Low147 Ų147108.6 Ų108.664%0.63956%0.558SS**Hα-helixtrans-64.4-47173-66-172175.7-175.60113.4H654 C658 I659 Y660H654-K656 PolarHBondContact O-N 2.95Å; K656-C658 VanDerWaalsContact C-N 3.31Å; K656-C658 PolarHBondContact O-N 3.18Å; K656-I659 PolarHBondContact O-N 2.89Å; K656-Y660 HydrophobicContact CB-CE2 4.48Å; K656-Y660 WeakPolarHBondContact O-CD2 3.14Å; K656-Y660 PolarHBondContact O-N 3.02Å
657T62.5Low62.8Low73 Ų73109.5 Ų109.545%0.44856%0.558SS.*Hα-helixtrans-65.2-36.9179.9-11.10000111.5H654 Y660 V661H654-T657 WeakPolarHBondContact CB-OG1 3.31Å; H654-T657 PolarHBondContact O-N 2.83Å; H654-T657 PolarHBondContact O-OG1 2.75Å; T657-Y660 PolarHBondContact O-N 2.84Å; T657-V661 WeakPolarHBondContact O-CG2 3.43Å; T657-V661 PolarHBondContact O-N 2.86Å
658C64.3Low64.6Low56 Ų56110.9 Ų110.938%0.37856%0.558SS.*Hα-helixtrans-64-43175.5-1590000111.6I653 H654 K656 Y660 V661 L662I653-C658 HydrophobicContact CG2-CB 3.89Å; H654-C658 PolarHBondContact O-N 3.18Å; K656-C658 VanDerWaalsContact C-N 3.31Å; K656-C658 PolarHBondContact O-N 3.18Å; C658-Y660 VanDerWaalsContact C-N 3.34Å; C658-Y660 PolarHBondContact O-N 2.85Å; C658-V661 PolarHBondContact O-N 3.24Å; C658-L662 WeakPolarHBondContact O-CB 3.49Å; C658-L662 PolarHBondContact O-N 2.7Å
659I74.4Confident66.7Low104 Ų104112 Ų11253%0.53356%0.56SS.*Hα-helixtrans-61.1-42.1174.4-68.8162.8000111P655 K656 L662 C663P655-I659 WeakPolarHBondContact O-CD1 3.45Å; P655-I659 VanDerWaalsContact O-CG1 3.22Å; P655-I659 WeakPolarHBondContact O-CG1 3.28Å; P655-I659 PolarHBondContact O-N 2.98Å; P655-I659 VanDerWaalsContact O-N 3.14Å; K656-I659 PolarHBondContact O-N 2.89Å; I659-L662 PolarHBondContact O-N 2.94Å; I659-C663 WeakPolarHBondContact O-CB 3.43Å; I659-C663 PolarHBondContact O-N 2.84Å
660Y75.7Confident68.8Low172 Ų172112.2 Ų112.268%0.67556%0.561SS**Hα-helixtrans-64.5-43.1176.9-76.6-65.2000112.8K656 T657 C658 C663 L664K656-Y660 HydrophobicContact CB-CE2 4.48Å; K656-Y660 WeakPolarHBondContact O-CD2 3.14Å; K656-Y660 PolarHBondContact O-N 3.02Å; T657-Y660 PolarHBondContact O-N 2.84Å; C658-Y660 VanDerWaalsContact C-N 3.34Å; C658-Y660 PolarHBondContact O-N 2.85Å; Y660-C663 PolarHBondContact O-N 2.81Å; Y660-L664 WeakPolarHBondContact O-CB 3.23Å; Y660-L664 PolarHBondContact O-N 3.43Å
661V78.1Confident70.8Confident81 Ų81107.6 Ų107.649%0.49155%0.549SS..Hα-helixtrans-65.5-41.5177.2173.50000110.9T657 C658 L664 F665T657-V661 WeakPolarHBondContact O-CG2 3.43Å; T657-V661 PolarHBondContact O-N 2.86Å; C658-V661 PolarHBondContact O-N 3.24Å; V661-L664 PolarHBondContact O-N 2.76Å; V661-F665 HydrophobicContact CG1-CD2 3.96Å; V661-F665 HydrophobicContact CG1-CE2 4.23Å; V661-F665 PolarHBondContact O-N 3.11Å
662L76.5Confident72.7Confident114 Ų114101.9 Ų101.960%0.59753%0.533SS*.Hα-helixtrans-62.6-43.8175.1-85.1160.3000112.2C658 I659 L664 F665 S666C658-L662 WeakPolarHBondContact O-CB 3.49Å; C658-L662 PolarHBondContact O-N 2.7Å; I659-L662 PolarHBondContact O-N 2.94Å; L662-L664 VanDerWaalsContact C-N 3.33Å; L662-L664 PolarHBondContact O-N 3.16Å; L662-F665 PolarHBondContact O-N 2.8Å; L662-S666 PolarHBondContact O-N 3.13Å; L662-S666 PolarHBondContact O-OG 3.15Å
663C77.6Confident74.3Confident68 Ų68101.9 Ų101.946%0.45953%0.533SS..Hα-helixtrans-61.6-40.2173.4-910000112.4I659 Y660 F665 S666 I667I659-C663 WeakPolarHBondContact O-CB 3.43Å; I659-C663 PolarHBondContact O-N 2.84Å; Y660-C663 PolarHBondContact O-N 2.81Å; C663-F665 VanDerWaalsContact C-N 3.35Å; C663-S666 WeakPolarHBondContact CA-OG 3.44Å; C663-S666 PolarHBondContact O-N 3.26Å; C663-S666 PolarHBondContact O-OG 2.92Å; C663-I667 WeakPolarHBondContact O-CD1 3.33Å; C663-I667 VanDerWaalsContact O-CG1 3.24Å; C663-I667 WeakPolarHBondContact O-CG1 3.46Å; C663-I667 PolarHBondContact O-N 3.21Å
664L80.6Confident75.9Confident124 Ų124103 Ų10365%0.64954%0.538SS*.Hα-helixtrans-67-40.1178.8-154114.8000111Y660 V661 L662 I667 L668Y660-L664 WeakPolarHBondContact O-CB 3.23Å; Y660-L664 PolarHBondContact O-N 3.43Å; V661-L664 PolarHBondContact O-N 2.76Å; L662-L664 VanDerWaalsContact C-N 3.33Å; L662-L664 PolarHBondContact O-N 3.16Å; L664-I667 PolarHBondContact O-N 3.14Å; L664-L668 WeakPolarHBondContact O-CB 2.96Å; L664-L668 PolarHBondContact O-N 3.25Å
665F82Confident77.6Confident117 Ų117102.1 Ų102.151%0.51354%0.54SS..Hα-helixtrans-63.8-44.3173.5-100.7-88.9000112.2V661 L662 C663 I667 L668 F669V661-F665 HydrophobicContact CG1-CD2 3.96Å; V661-F665 HydrophobicContact CG1-CE2 4.23Å; V661-F665 PolarHBondContact O-N 3.11Å; L662-F665 PolarHBondContact O-N 2.8Å; C663-F665 VanDerWaalsContact C-N 3.35Å; F665-I667 VanDerWaalsContact C-N 3.34Å; F665-I667 PolarHBondContact O-N 2.7Å; F665-L668 PolarHBondContact O-N 2.73Å; F665-F669 AromaticContact CD1-CD2 3.86Å; F665-F669 HydrophobicContact CD1-CD2 3.86Å; F665-F669 AromaticContact CD1-CE2 3.58Å; F665-F669 HydrophobicContact CD1-CE2 3.58Å; F665-F669 AromaticContact CE1-CE2 3.84Å; F665-F669 HydrophobicContact CE1-CE2 3.84Å; F665-F669 WeakPolarHBondContact O-CB 3.4Å; F665-F669 WeakPolarHBondContact O-CD2 3.14Å; F665-F669 PolarHBondContact O-N 2.94Å
666S78.4Confident78.8Confident70 Ų70102.4 Ų102.449%0.4954%0.536SS..Hα-helixtrans-66.5-35.5178.546.30000112.6L662 C663 L670L662-S666 PolarHBondContact O-N 3.13Å; L662-S666 PolarHBondContact O-OG 3.15Å; C663-S666 WeakPolarHBondContact CA-OG 3.44Å; C663-S666 PolarHBondContact O-N 3.26Å; C663-S666 PolarHBondContact O-OG 2.92Å; S666-L670 WeakPolarHBondContact O-CB 3.47Å; S666-L670 PolarHBondContact O-N 3.21Å
667I83.9Confident79.9Confident124 Ų124100 Ų10064%0.63653%0.53SS*.Hα-helixtrans-65.2-42.2171.6-67.3165000111.1C663 L664 F665 P671C663-I667 WeakPolarHBondContact O-CD1 3.33Å; C663-I667 VanDerWaalsContact O-CG1 3.24Å; C663-I667 WeakPolarHBondContact O-CG1 3.46Å; C663-I667 PolarHBondContact O-N 3.21Å; L664-I667 PolarHBondContact O-N 3.14Å; F665-I667 VanDerWaalsContact C-N 3.34Å; F665-I667 PolarHBondContact O-N 2.7Å; I667-P671 WeakPolarHBondContact O-CD 3.36Å
668L84.5Confident81Confident111 Ų111103.5 Ų103.558%0.58154%0.541SS*.Hα-helixtrans-67.2-36-179.9-162.384.9000112.4L664 F665 P671L664-L668 WeakPolarHBondContact O-CB 2.96Å; L664-L668 PolarHBondContact O-N 3.25Å; F665-L668 PolarHBondContact O-N 2.73Å; L668-P671 WeakPolarHBondContact O-CD 3.21Å; L668-P671 WeakPolarHBondContact O-CG 3.45Å
669F86.1Confident81.8Confident106 Ų106103.7 Ų103.747%0.46554%0.543SS..Hα-helixtrans-86.3-16.9-179-88.2-88.2000114.2F665 I672 L673F665-F669 AromaticContact CD1-CD2 3.86Å; F665-F669 HydrophobicContact CD1-CD2 3.86Å; F665-F669 AromaticContact CD1-CE2 3.58Å; F665-F669 HydrophobicContact CD1-CE2 3.58Å; F665-F669 AromaticContact CE1-CE2 3.84Å; F665-F669 HydrophobicContact CE1-CE2 3.84Å; F665-F669 WeakPolarHBondContact O-CB 3.4Å; F665-F669 WeakPolarHBondContact O-CD2 3.14Å; F665-F669 PolarHBondContact O-N 2.94Å; F669-I672 HydrophobicContact CD1-CD1 4Å; F669-I672 HydrophobicContact CE1-CD1 4.13Å; F669-I672 PolarHBondContact O-N 3.4Å; F669-I672 VanDerWaalsContact O-N 3.16Å; F669-L673 PolarHBondContact O-N 2.69Å
670L84.8Confident82.2Confident106 Ų106102.2 Ų102.256%0.55554%0.538SS*.Hα-helixtrans-52.4-48176.9-167.373.2000113.7S666 I672 L673 M674S666-L670 WeakPolarHBondContact O-CB 3.47Å; S666-L670 PolarHBondContact O-N 3.21Å; L670-I672 VanDerWaalsContact C-N 3.34Å; L670-I672 PolarHBondContact O-N 3.03Å; L670-L673 WeakPolarHBondContact O-CB 3.2Å; L670-L673 PolarHBondContact O-N 2.68Å; L670-M674 WeakPolarHBondContact O-CG 3.42Å; L670-M674 PolarHBondContact O-N 2.82Å
671P86Confident82.3Confident76 Ų7699.6 Ų99.649%0.49454%0.535SS..Hα-helixtrans-64.8-36.8177.922.8-33000112.8I667 L668 L673 M674 V675I667-P671 WeakPolarHBondContact O-CD 3.36Å; L668-P671 WeakPolarHBondContact O-CD 3.21Å; L668-P671 WeakPolarHBondContact O-CG 3.45Å; P671-L673 VanDerWaalsContact C-N 3.32Å; P671-L673 PolarHBondContact O-N 3.17Å; P671-M674 PolarHBondContact O-N 2.69Å; P671-V675 WeakPolarHBondContact O-CG2 3.45Å; P671-V675 PolarHBondContact O-N 3.37Å
672I85.6Confident82.3Confident87 Ų8799.9 Ų99.945%0.44654%0.541SS..Hα-helixtrans-63.9-42.5176.3-60.5171.4000109.8F669 L670 M674 V675 I676F669-I672 HydrophobicContact CD1-CD1 4Å; F669-I672 HydrophobicContact CE1-CD1 4.13Å; F669-I672 PolarHBondContact O-N 3.4Å; F669-I672 VanDerWaalsContact O-N 3.16Å; L670-I672 VanDerWaalsContact C-N 3.34Å; L670-I672 PolarHBondContact O-N 3.03Å; I672-M674 VanDerWaalsContact C-N 3.34Å; I672-M674 PolarHBondContact O-N 3.27Å; I672-V675 PolarHBondContact O-N 2.86Å; I672-I676 HydrophobicContact CG2-CD1 3.96Å; I672-I676 VanDerWaalsContact O-CG1 3.29Å; I672-I676 WeakPolarHBondContact O-CG1 3.31Å; I672-I676 PolarHBondContact O-N 2.78Å
673L80.4Confident82.1Confident114 Ų114100.9 Ų100.960%0.59755%0.547SS*.Hα-helixtrans-63.8-40177-159.787.2000111.7F669 L670 P671 I676 L677F669-L673 PolarHBondContact O-N 2.69Å; L670-L673 WeakPolarHBondContact O-CB 3.2Å; L670-L673 PolarHBondContact O-N 2.68Å; P671-L673 VanDerWaalsContact C-N 3.32Å; P671-L673 PolarHBondContact O-N 3.17Å; L673-I676 PolarHBondContact O-N 2.76Å; L673-L677 WeakPolarHBondContact O-CB 3.29Å; L673-L677 PolarHBondContact O-N 3.34Å
674M85.3Confident81.5Confident109 Ų109108.9 Ų108.954%0.53757%0.574SS.*Hα-helixtrans-64.8-41.3177-71.2-64.6-69.700112L670 P671 I672 L677 E678L670-M674 WeakPolarHBondContact O-CG 3.42Å; L670-M674 PolarHBondContact O-N 2.82Å; P671-M674 PolarHBondContact O-N 2.69Å; I672-M674 VanDerWaalsContact C-N 3.34Å; I672-M674 PolarHBondContact O-N 3.27Å; M674-L677 PolarHBondContact O-N 3.36Å; M674-E678 PolarHBondContact O-N 3.27Å
675V86.8Confident81.5Confident95 Ų95108.1 Ų108.158%0.57657%0.571SS**Hα-helixtrans-64.8-40.8175.7171.80000111.2P671 I672 L677 E678 S679P671-V675 WeakPolarHBondContact O-CG2 3.45Å; P671-V675 PolarHBondContact O-N 3.37Å; I672-V675 PolarHBondContact O-N 2.86Å; V675-L677 VanDerWaalsContact C-N 3.33Å; V675-E678 PolarHBondContact O-N 2.74Å; V675-S679 WeakPolarHBondContact O-CB 3.48Å; V675-S679 PolarHBondContact O-N 2.82Å
676I82.8Confident81.5Confident96 Ų96107.6 Ų107.649%0.49257%0.574SS.*Hα-helixtrans-64.2-41.4175.1-67166.4000110.3I672 L673 S679 V680I672-I676 HydrophobicContact CG2-CD1 3.96Å; I672-I676 VanDerWaalsContact O-CG1 3.29Å; I672-I676 WeakPolarHBondContact O-CG1 3.31Å; I672-I676 PolarHBondContact O-N 2.78Å; L673-I676 PolarHBondContact O-N 2.76Å; I676-S679 PolarHBondContact O-N 3.41Å; I676-V680 VanDerWaalsContact O-CG2 3.32Å; I676-V680 WeakPolarHBondContact O-CG2 3.38Å; I676-V680 PolarHBondContact O-N 3.4Å
677L82.1Confident81.7Confident98 Ų98109.7 Ų109.751%0.51358%0.578SS.*Hα-helixtrans-65.7-42.5178.7-169.570.8000111.9L673 M674 V675 V680 L681L673-L677 WeakPolarHBondContact O-CB 3.29Å; L673-L677 PolarHBondContact O-N 3.34Å; M674-L677 PolarHBondContact O-N 3.36Å; V675-L677 VanDerWaalsContact C-N 3.33Å; L677-V680 PolarHBondContact O-N 3.39Å; L677-L681 HydrophobicContact CD1-CD1 4.14Å; L677-L681 HydrophobicContact CG-CD1 4.03Å; L677-L681 WeakPolarHBondContact O-CD1 3.47Å; L677-L681 PolarHBondContact O-N 3.21Å
678E84.3Confident81.5Confident145 Ų145108.9 Ų108.968%0.67858%0.575SS**Hα-helixtrans-60.2-44.6172-95.7-173.1155.500111.6M674 V675 V680 L681 S682M674-E678 PolarHBondContact O-N 3.27Å; V675-E678 PolarHBondContact O-N 2.74Å; E678-V680 VanDerWaalsContact C-N 3.27Å; E678-V680 PolarHBondContact O-N 3.47Å; E678-L681 PolarHBondContact O-N 3.01Å; E678-S682 WeakPolarHBondContact O-CB 3.33Å; E678-S682 PolarHBondContact O-N 3.41Å; E678-S682 PolarHBondContact O-OG 3.3Å
679S81.2Confident81.4Confident61 Ų61108.8 Ų108.843%0.42758%0.575SS.*Hα-helixtrans-63.6-31.8177.2175.20000113V675 I676 S682 N683V675-S679 WeakPolarHBondContact O-CB 3.48Å; V675-S679 PolarHBondContact O-N 2.82Å; I676-S679 PolarHBondContact O-N 3.41Å; S679-S682 PolarHBondContact O-OG 3.36Å; S679-S682 VanDerWaalsContact O-OG 3.1Å; S679-N683 PolarHBondContact O-ND2 3.23Å
680V83.8Confident81Confident72 Ų72108.9 Ų108.944%0.43658%0.582SS.*Hα-helixtrans-76.2-42.9175.6171.90000110.3I676 L677 E678 S682 N683 F684I676-V680 VanDerWaalsContact O-CG2 3.32Å; I676-V680 WeakPolarHBondContact O-CG2 3.38Å; I676-V680 PolarHBondContact O-N 3.4Å; L677-V680 PolarHBondContact O-N 3.39Å; E678-V680 VanDerWaalsContact C-N 3.27Å; E678-V680 PolarHBondContact O-N 3.47Å; V680-S682 VanDerWaalsContact C-N 3.3Å; V680-S682 PolarHBondContact O-N 3.17Å; V680-N683 PolarHBondContact O-N 3.18Å; V680-F684 HydrophobicContact CG1-CD2 4.43Å; V680-F684 HydrophobicContact CG1-CE2 4.44Å; V680-F684 PolarHBondContact O-N 3.09Å
681L77.7Confident80.8Confident117 Ų117109.1 Ų109.161%0.61358%0.584SS**Hα-helixtrans-66.2-30.6176.2-100.389.5000112.9L677 E678 N683 F684L677-L681 HydrophobicContact CD1-CD1 4.14Å; L677-L681 HydrophobicContact CG-CD1 4.03Å; L677-L681 WeakPolarHBondContact O-CD1 3.47Å; L677-L681 PolarHBondContact O-N 3.21Å; E678-L681 PolarHBondContact O-N 3.01Å; L681-N683 VanDerWaalsContact C-N 3.26Å; L681-N683 PolarHBondContact O-N 3.43Å; L681-F684 PolarHBondContact O-N 3.26Å
682S78.8Confident80.4Confident88 Ų88111.7 Ų111.762%0.61559%0.591SS**THydrogen-bonded Turntrans-75.2-17176.470.80000113.5E678 S679 V680E678-S682 WeakPolarHBondContact O-CB 3.33Å; E678-S682 PolarHBondContact O-N 3.41Å; E678-S682 PolarHBondContact O-OG 3.3Å; S679-S682 PolarHBondContact O-OG 3.36Å; S679-S682 VanDerWaalsContact O-OG 3.1Å; V680-S682 VanDerWaalsContact C-N 3.3Å; V680-S682 PolarHBondContact O-N 3.17Å
683N72.4Confident79.9Confident134 Ų134113.8 Ų113.872%0.71760%0.603SS**THydrogen-bonded Turntrans-91-9176.7-79.3-23000112.9S679 V680 L681S679-N683 PolarHBondContact O-ND2 3.23Å; V680-N683 PolarHBondContact O-N 3.18Å; L681-N683 VanDerWaalsContact C-N 3.26Å; L681-N683 PolarHBondContact O-N 3.43Å
684F63.6Low79.9Confident236 Ų236113.7 Ų113.7100%1.03560%0.603SS**  trans-98.30167.6-86.6-81000109.7V680 L681V680-F684 HydrophobicContact CG1-CD2 4.43Å; V680-F684 HydrophobicContact CG1-CE2 4.44Å; V680-F684 PolarHBondContact O-N 3.09Å; L681-F684 PolarHBondContact O-N 3.26Å

Retrieved 684 of 684 residues in 751.6 ms (Link to these results)

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