A0A093HDL9_STRCA Loading...

DAZ-associated protein 1

AlphaFold DB , UniProt , Accession A0A093HDL9, Species STRCA (Struthio camelus australis), Gene n/a, Length 398 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
1K87.3Confident90.9Very high118 Ų11847.4 Ų47.451%0.51325%0.245SC..  0140.90-175.6173.9-179165.90108.6F45 V46 C75K1-F45 VanDerWaalsContact CE-CB 3.5Å; K1-V46 CarbonylContact C-O 3.5Å; K1-V46 WeakPolarHBondContact CA-O 3.46Å; K1-C75 HydrophobicContact CB-CB 4.13Å; K1-C75 HydrophobicContact CG-CB 3.94Å; K1-C75 WeakPolarHBondContact O-CB 3.42Å; K1-C75 PolarHBondContact O-N 2.95Å
2L91.1Very high91Very high0 Ų048 Ų480%025%0.252CS..EExtended strand (participates in β ladder)trans-121.2141.1-173.8-172.877.5000108.8V4 F20 F45 V46 F48 V54 V57 L58 P72 K73L2-V4 HydrophobicContact CD2-CG2 3.79Å; L2-V4 HydrophobicContact CG-CG2 4.18Å; L2-F20 HydrophobicContact CD2-CD1 4.32Å; L2-F20 HydrophobicContact CD2-CE1 3.91Å; L2-F20 HydrophobicContact CD2-CZ 4.26Å; L2-F45 WeakPolarHBondContact O-CA 3.37Å; L2-V46 HydrophobicContact CB-CB 4.43Å; L2-V46 PolarHBondContact N-O 2.76Å; L2-V46 PolarHBondContact O-N 3.25Å; L2-F48 HydrophobicContact CD2-CE2 4.26Å; L2-V54 HydrophobicContact CD1-CG1 3.97Å; L2-V57 HydrophobicContact CD1-CG1 4.42Å; L2-V57 HydrophobicContact CD2-CG1 3.84Å; L2-L58 HydrophobicContact CD1-CD2 4.33Å; L2-L58 HydrophobicContact CD1-CG 4.48Å; L2-P72 HydrophobicContact CD1-CB 4.05Å; L2-P72 HydrophobicContact CD2-CB 3.76Å; L2-P72 HydrophobicContact CG-CB 4.12Å; L2-K73 VanDerWaalsContact CD1-O 3.31Å; L2-K73 WeakPolarHBondContact CD1-O 3.33Å
3F93.1Very high91.1Very high61 Ų6151.9 Ų51.927%0.26827%0.268SS..EExtended strand (participates in β ladder)trans-93.3139.2163.6166.2-88.4000107.8F43 F45 P72 K73F3-F43 HydrophobicContact CD2-CD2 4.39Å; F3-F43 HydrophobicContact CE2-CB 4.04Å; F3-F43 AromaticContact CE2-CD2 3.6Å; F3-F43 HydrophobicContact CE2-CD2 3.6Å; F3-F43 HydrophobicContact CE2-CE2 4.34Å; F3-F43 HydrophobicContact CE2-CG 4.09Å; F3-F43 HydrophobicContact CZ-CB 4.03Å; F3-F43 HydrophobicContact CZ-CD2 4.37Å; F3-F43 HydrophobicContact CZ-CG 4.43Å; F3-F45 HydrophobicContact CB-CD1 4.25Å; F3-F45 HydrophobicContact CB-CE1 4.18Å; F3-F45 HydrophobicContact CD2-CD1 4.37Å; F3-F45 AromaticContact CD2-CE1 3.8Å; F3-F45 HydrophobicContact CD2-CE1 3.8Å; F3-F45 HydrophobicContact CD2-CZ 4.14Å; F3-F45 HydrophobicContact CG-CE1 4.49Å; F3-P72 CarbonylContact O-C 3.58Å; F3-P72 VanDerWaalsContact O-CA 3.32Å; F3-P72 WeakPolarHBondContact O-CA 3.19Å; F3-K73 HydrophobicContact CD1-CB 4.29Å; F3-K73 PolarHBondContact N-O 3.02Å; F3-K73 PolarHBondContact O-N 2.84Å
4V92.5Very high91.2Very high0 Ų057.6 Ų57.60%029%0.293CS..EExtended strand (participates in β ladder)trans-127.4109.5176.5-168.20000108.7L2 L7 F20 F43 G44 V46 I70L2-V4 HydrophobicContact CD2-CG2 3.79Å; L2-V4 HydrophobicContact CG-CG2 4.18Å; V4-L7 HydrophobicContact CB-CD2 4.38Å; V4-L7 HydrophobicContact CG1-CD2 3.62Å; V4-L7 HydrophobicContact CG1-CG 4.38Å; V4-F20 HydrophobicContact CB-CE2 4.43Å; V4-F20 HydrophobicContact CG1-CE2 3.95Å; V4-F20 HydrophobicContact CG1-CZ 3.95Å; V4-F20 HydrophobicContact CG2-CE2 3.74Å; V4-F20 HydrophobicContact CG2-CZ 3.79Å; V4-F43 CarbonylContact O-C 3.39Å; V4-F43 VanDerWaalsContact O-CA 3.22Å; V4-F43 WeakPolarHBondContact O-CA 3.29Å; V4-F43 WeakPolarHBondContact O-CB 3.46Å; V4-G44 PolarHBondContact N-O 3.26Å; V4-G44 PolarHBondContact O-N 3.32Å; V4-V46 HydrophobicContact CG2-CG2 3.99Å; V4-I70 HydrophobicContact CG1-CB 4.09Å; V4-I70 HydrophobicContact CG1-CD1 4.01Å; V4-I70 HydrophobicContact CG1-CG1 4.33Å
5G91.9Very high91.3Very high7 Ų757.1 Ų57.17%0.07229%0.294CS..EExtended strand (participates in β ladder)trans-94.4167.6172.600000112L7 I70 D71G5-L7 VanDerWaalsContact C-N 3.31Å; G5-L7 PolarHBondContact O-N 3.28Å; G5-I70 WeakPolarHBondContact O-CA 3.29Å; G5-D71 PolarHBondContact N-O 2.84Å; G5-D71 PolarHBondContact O-N 3.23Å
6G91.1Very high91.4Very high34 Ų3453.6 Ų53.635%0.35128%0.276SS..  trans75.714.9174.700000114.9G42 R68G6-G42 PolarHBondContact N-O 3.15Å; G6-R68 WeakPolarHBondContact O-CG 3.47Å
7L92.9Very high91.5Very high7 Ų758.1 Ų58.14%0.03729%0.289CS..  trans-62.5151.7171.6-55-175.3000110.1V4 G5 T11 L16 I31 G42 I70V4-L7 HydrophobicContact CB-CD2 4.38Å; V4-L7 HydrophobicContact CG1-CD2 3.62Å; V4-L7 HydrophobicContact CG1-CG 4.38Å; G5-L7 VanDerWaalsContact C-N 3.31Å; G5-L7 PolarHBondContact O-N 3.28Å; L7-T11 HydrophobicContact CB-CG2 4.34Å; L7-T11 HydrophobicContact CD1-CG2 4.36Å; L7-T11 HydrophobicContact CD2-CG2 4.48Å; L7-L16 HydrophobicContact CD1-CD1 3.94Å; L7-L16 HydrophobicContact CD1-CD2 4.18Å; L7-L16 HydrophobicContact CD2-CD1 3.66Å; L7-L16 HydrophobicContact CG-CD1 4.48Å; L7-I31 HydrophobicContact CD1-CD1 4.19Å; L7-I31 HydrophobicContact CD1-CG1 4.09Å; L7-G42 PolarHBondContact N-O 3.4Å; L7-G42 VanDerWaalsContact O-CA 3.25Å; L7-G42 WeakPolarHBondContact O-CA 3.5Å; L7-I70 HydrophobicContact CD2-CB 4.3Å; L7-I70 HydrophobicContact CD2-CG2 3.79Å
8D92.5Very high91.6Very high43 Ų4359.9 Ų59.923%0.2331%0.308CS..  trans-71.8167.5171.6-168.1-102.7000111.4S10 T11 S40 D66 R68D8-S10 VanDerWaalsContact C-N 3.31Å; D8-S10 WeakPolarHBondContact OD1-CB 3.43Å; D8-S10 PolarHBondContact OD1-N 3.45Å; D8-S10 PolarHBondContact OD1-OG 3.15Å; D8-T11 WeakPolarHBondContact CB-OG1 3.5Å; D8-T11 PolarHBondContact N-OG1 3.15Å; D8-S40 PolarHBondContact O-OG 2.86Å; D8-D66 HydrophobicContact CB-CB 4.36Å; D8-R68 HydrophobicContact CB-CB 4.42Å
9W89.9Confident91.6Very high166 Ų16659.3 Ų59.363%0.62930%0.302SS*.SBendtrans-74.3-24.2173.8-59.1-27.7000112.9S40W9-S40 WeakPolarHBondContact O-CB 3.21Å
10S88.6Confident91.6Very high81 Ų8156.4 Ų56.457%0.56629%0.287SS*.SBendtrans-83.2-24.2175.562.80000113.9D8 T12D8-S10 VanDerWaalsContact C-N 3.31Å; D8-S10 WeakPolarHBondContact OD1-CB 3.43Å; D8-S10 PolarHBondContact OD1-N 3.45Å; D8-S10 PolarHBondContact OD1-OG 3.15Å; S10-T12 WeakPolarHBondContact O-CG2 3.33Å; S10-T12 PolarHBondContact O-N 2.96Å
11T89.4Confident91.7Very high4 Ų456.7 Ų56.73%0.02529%0.294CS..  trans-50.1126.1-179.4-610000112.1L7 D8 L16 I31 L65 D66L7-T11 HydrophobicContact CB-CG2 4.34Å; L7-T11 HydrophobicContact CD1-CG2 4.36Å; L7-T11 HydrophobicContact CD2-CG2 4.48Å; D8-T11 WeakPolarHBondContact CB-OG1 3.5Å; D8-T11 PolarHBondContact N-OG1 3.15Å; T11-L16 HydrophobicContact CG2-CB 4.38Å; T11-I31 HydrophobicContact CG2-CD1 3.85Å; T11-I31 WeakPolarHBondContact O-CD1 3.24Å; T11-L65 HydrophobicContact CG2-CD2 3.52Å; T11-L65 WeakPolarHBondContact OG1-CD2 3.43Å; T11-D66 WeakPolarHBondContact CA-OD2 3.19Å; T11-D66 VanDerWaalsContact CB-OD2 3.27Å; T11-D66 WeakPolarHBondContact CB-OD2 3.44Å; T11-D66 PolarHBondContact OG1-OD2 3.48Å
12T92.2Very high91.9Very high55 Ų5557 Ų5734%0.33730%0.297SS..  trans-102.4170.3-179.481.20000111.7S10 E14 T15 L16 I31S10-T12 WeakPolarHBondContact O-CG2 3.33Å; S10-T12 PolarHBondContact O-N 2.96Å; T12-E14 WeakPolarHBondContact CB-OE2 3.33Å; T12-E14 PolarHBondContact O-N 3.36Å; T12-E14 PolarHBondContact OG1-N 2.9Å; T12-E14 PolarHBondContact OG1-OE2 3.07Å; T12-T15 PolarHBondContact N-OG1 3.43Å; T12-T15 VanDerWaalsContact N-OG1 3.16Å; T12-T15 PolarHBondContact O-N 3Å; T12-T15 PolarHBondContact O-OG1 3.12Å; T12-T15 PolarHBondContact OG1-N 3.28Å; T12-L16 VanDerWaalsContact O-CB 3.31Å; T12-L16 WeakPolarHBondContact O-CB 3.34Å; T12-L16 PolarHBondContact O-N 2.99Å; T12-L16 VanDerWaalsContact O-N 3.07Å; T12-I31 VanDerWaalsContact O-CD1 3.29Å; T12-I31 WeakPolarHBondContact O-CD1 3.27Å
13Q92Very high91.8Very high99 Ų9958.9 Ų58.946%0.46331%0.305SS..Hα-helixtrans-65.4-32.7176.8-175.2174-31.900111.1R17 C29Q13-R17 WeakPolarHBondContact O-CB 3.24Å; Q13-R17 PolarHBondContact O-N 2.69Å; Q13-C29 HydrophobicContact CG-CB 4.42Å; Q13-C29 WeakPolarHBondContact CG-O 3.48Å; Q13-C29 VanDerWaalsContact CG-SG 3.58Å; Q13-C29 PolarHBondContact NE2-O 2.97Å
14E92.1Very high91.7Very high131 Ų13157 Ų5761%0.61230%0.303SS*.Hα-helixtrans-68.6-47.4175.6-5576.7-167.700111.9T12 R17 S18T12-E14 WeakPolarHBondContact CB-OE2 3.33Å; T12-E14 PolarHBondContact O-N 3.36Å; T12-E14 PolarHBondContact OG1-N 2.9Å; T12-E14 PolarHBondContact OG1-OE2 3.07Å; E14-R17 PolarHBondContact O-N 3.12Å; E14-S18 VanDerWaalsContact O-CB 3.25Å; E14-S18 WeakPolarHBondContact O-CB 3.42Å; E14-S18 PolarHBondContact O-N 3.47Å
15T92.6Very high91.7Very high51 Ų5161.9 Ų61.931%0.31333%0.325SS..Hα-helixtrans-65.6-41.6179.265.80000111.1T12 S18 Y19 D66T12-T15 PolarHBondContact N-OG1 3.43Å; T12-T15 VanDerWaalsContact N-OG1 3.16Å; T12-T15 PolarHBondContact O-N 3Å; T12-T15 PolarHBondContact O-OG1 3.12Å; T12-T15 PolarHBondContact OG1-N 3.28Å; T15-S18 PolarHBondContact O-N 2.89Å; T15-Y19 WeakPolarHBondContact O-CB 3.49Å; T15-Y19 PolarHBondContact O-N 3.17Å; T15-D66 PolarHBondContact OG1-OD2 2.85Å
16L92.9Very high91.9Very high0 Ų061.7 Ų61.70%032%0.323CS..Hα-helixtrans-59.5-46.8172.4-171.971.1000112.3L7 T11 T12 F20 I31 V46 L65L7-L16 HydrophobicContact CD1-CD1 3.94Å; L7-L16 HydrophobicContact CD1-CD2 4.18Å; L7-L16 HydrophobicContact CD2-CD1 3.66Å; L7-L16 HydrophobicContact CG-CD1 4.48Å; T11-L16 HydrophobicContact CG2-CB 4.38Å; T12-L16 VanDerWaalsContact O-CB 3.31Å; T12-L16 WeakPolarHBondContact O-CB 3.34Å; T12-L16 PolarHBondContact O-N 2.99Å; T12-L16 VanDerWaalsContact O-N 3.07Å; L16-F20 HydrophobicContact CD1-CD2 3.8Å; L16-F20 HydrophobicContact CD1-CE2 3.62Å; L16-F20 HydrophobicContact CG-CD2 4.19Å; L16-F20 HydrophobicContact CG-CE2 4.47Å; L16-F20 WeakPolarHBondContact O-CD2 3.29Å; L16-F20 PolarHBondContact O-N 3.48Å; L16-F20 VanDerWaalsContact O-N 3.1Å; L16-I31 HydrophobicContact CB-CD1 4.33Å; L16-I31 HydrophobicContact CD2-CD1 4.2Å; L16-I31 HydrophobicContact CD2-CG1 3.75Å; L16-V46 HydrophobicContact CD2-CG2 4.02Å; L16-V46 HydrophobicContact CG-CG2 4.11Å; L16-L65 HydrophobicContact CD1-CD1 4.26Å
17R93Very high92Very high131 Ų13163.5 Ų63.549%0.49433%0.327SS..Hα-helixtrans-63.9-47.9179-171.4-178.9-171.9-163.81.1111.4Q13 E14 F20 S21 V26Q13-R17 WeakPolarHBondContact O-CB 3.24Å; Q13-R17 PolarHBondContact O-N 2.69Å; E14-R17 PolarHBondContact O-N 3.12Å; R17-F20 PolarHBondContact O-N 2.82Å; R17-S21 WeakPolarHBondContact O-CB 3.3Å; R17-S21 PolarHBondContact O-N 2.96Å; R17-V26 HydrophobicContact CG-CB 4.03Å; R17-V26 HydrophobicContact CG-CG1 3.98Å; R17-V26 PolarHBondContact NE-O 2.85Å; R17-V26 PolarHBondContact NH2-O 2.77Å; R17-V26 VanDerWaalsContact NH2-O 3.17Å
18S93Very high91.9Very high91 Ų9166.1 Ų66.164%0.63634%0.341SS*.Hα-helixtrans-59-49.8-178.7-172.60000110.8E14 T15 F20 S21E14-S18 VanDerWaalsContact O-CB 3.25Å; E14-S18 WeakPolarHBondContact O-CB 3.42Å; E14-S18 PolarHBondContact O-N 3.47Å; T15-S18 PolarHBondContact O-N 2.89Å; S18-F20 PolarHBondContact O-N 2.65Å; S18-S21 WeakPolarHBondContact O-CB 3.37Å; S18-S21 PolarHBondContact O-N 3.44Å
19Y92.4Very high91.9Very high48 Ų4864.2 Ų64.219%0.18833%0.331CS..Hα-helixtrans-58.9-49.8176.6-177.2-94.2000112.2T15 S21 Q22 Y23 H63 T64 L65 I70T15-Y19 WeakPolarHBondContact O-CB 3.49Å; T15-Y19 PolarHBondContact O-N 3.17Å; Y19-S21 VanDerWaalsContact C-N 3.27Å; Y19-S21 PolarHBondContact O-N 3.05Å; Y19-Q22 VanDerWaalsContact O-CG 3.29Å; Y19-Q22 WeakPolarHBondContact O-CG 3.29Å; Y19-Q22 PolarHBondContact O-N 3.39Å; Y19-Q22 PolarHBondContact O-NE2 3.36Å; Y19-Y23 HydrophobicContact CD1-CE2 4.45Å; Y19-Y23 AromaticContact CE1-CE2 3.96Å; Y19-Y23 HydrophobicContact CE1-CE2 3.96Å; Y19-Y23 PolarHBondContact OH-OH 3.39Å; Y19-H63 HydrophobicContact CE1-CB 4.27Å; Y19-H63 AromaticContact CE1-ND1 3.93Å; Y19-H63 WeakPolarHBondContact OH-CB 3.32Å; Y19-H63 PolarHBondContact OH-ND1 3.36Å; Y19-H63 VanDerWaalsContact OH-ND1 3.17Å; Y19-T64 VanDerWaalsContact CE2-O 3.29Å; Y19-T64 WeakPolarHBondContact CE2-O 3.5Å; Y19-L65 HydrophobicContact CD1-CD1 3.95Å; Y19-L65 HydrophobicContact CD2-CD1 4.36Å; Y19-L65 HydrophobicContact CG-CD1 3.7Å; Y19-L65 HydrophobicContact CG-CG 4.45Å; Y19-I70 HydrophobicContact CD1-CD1 4.18Å; Y19-I70 HydrophobicContact CE1-CD1 3.88Å
20F92.3Very high92Very high0 Ų059 Ų590%032%0.318CS..Hα-helixtrans-71.9-20.8-178.8-80.1-68.2000113.7L2 V4 L16 R17 S18 Q22 Y23 V26 V46 F48 V57 I70 P72L2-F20 HydrophobicContact CD2-CD1 4.32Å; L2-F20 HydrophobicContact CD2-CE1 3.91Å; L2-F20 HydrophobicContact CD2-CZ 4.26Å; V4-F20 HydrophobicContact CB-CE2 4.43Å; V4-F20 HydrophobicContact CG1-CE2 3.95Å; V4-F20 HydrophobicContact CG1-CZ 3.95Å; V4-F20 HydrophobicContact CG2-CE2 3.74Å; V4-F20 HydrophobicContact CG2-CZ 3.79Å; L16-F20 HydrophobicContact CD1-CD2 3.8Å; L16-F20 HydrophobicContact CD1-CE2 3.62Å; L16-F20 HydrophobicContact CG-CD2 4.19Å; L16-F20 HydrophobicContact CG-CE2 4.47Å; L16-F20 WeakPolarHBondContact O-CD2 3.29Å; L16-F20 PolarHBondContact O-N 3.48Å; L16-F20 VanDerWaalsContact O-N 3.1Å; R17-F20 PolarHBondContact O-N 2.82Å; S18-F20 PolarHBondContact O-N 2.65Å; F20-Q22 PolarHBondContact O-N 3.46Å; F20-Q22 VanDerWaalsContact O-N 3.17Å; F20-Y23 HydrophobicContact CD1-CD2 4.03Å; F20-Y23 HydrophobicContact CD1-CE2 4.33Å; F20-Y23 PolarHBondContact O-N 3.38Å; F20-V26 HydrophobicContact CB-CG2 4Å; F20-V46 HydrophobicContact CB-CG1 4.13Å; F20-V46 HydrophobicContact CD2-CG2 3.82Å; F20-V46 HydrophobicContact CE2-CG2 4.3Å; F20-V46 HydrophobicContact CG-CG1 4.39Å; F20-V46 HydrophobicContact CG-CG2 4.29Å; F20-F48 HydrophobicContact CB-CE1 4.3Å; F20-F48 HydrophobicContact CB-CZ 3.93Å; F20-F48 AromaticContact CD1-CZ 3.99Å; F20-F48 HydrophobicContact CD1-CZ 3.99Å; F20-F48 HydrophobicContact CG-CZ 4.32Å; F20-F48 WeakPolarHBondContact O-CE1 3.24Å; F20-V57 HydrophobicContact CD1-CG1 4.44Å; F20-V57 HydrophobicContact CD1-CG2 4.05Å; F20-V57 HydrophobicContact CE1-CG1 3.78Å; F20-V57 HydrophobicContact CE1-CG2 4.19Å; F20-I70 HydrophobicContact CE2-CD1 3.86Å; F20-I70 HydrophobicContact CZ-CD1 3.64Å; F20-P72 HydrophobicContact CZ-CB 4.44Å
21S92.3Very high92.2Very high64 Ų6455.9 Ų55.945%0.44830%0.295SS..Hα-helixtrans-63.4-18.6177-162.10000113.9R17 S18 Y19 Y23 G24R17-S21 WeakPolarHBondContact O-CB 3.3Å; R17-S21 PolarHBondContact O-N 2.96Å; S18-S21 WeakPolarHBondContact O-CB 3.37Å; S18-S21 PolarHBondContact O-N 3.44Å; Y19-S21 VanDerWaalsContact C-N 3.27Å; Y19-S21 PolarHBondContact O-N 3.05Å; S21-Y23 PolarHBondContact O-N 3.25Å; S21-G24 WeakPolarHBondContact CA-O 3.47Å; S21-G24 PolarHBondContact O-N 3.46Å
22Q91.4Very high92.3Very high123 Ų12358.8 Ų58.858%0.57531%0.309SS*.THydrogen-bonded Turntrans-66.3-21.6173.883.4-168.6-88.500112.9Y19 F20Y19-Q22 VanDerWaalsContact O-CG 3.29Å; Y19-Q22 WeakPolarHBondContact O-CG 3.29Å; Y19-Q22 PolarHBondContact O-N 3.39Å; Y19-Q22 PolarHBondContact O-NE2 3.36Å; F20-Q22 PolarHBondContact O-N 3.46Å; F20-Q22 VanDerWaalsContact O-N 3.17Å
23Y89.8Confident92.3Very high41 Ų4161.7 Ų61.716%0.16132%0.316CS..THydrogen-bonded Turntrans-101.1-4.9-179.2-52.7-75.8000113.5Y19 F20 S21 C53 T56 V57 S60 H63Y19-Y23 HydrophobicContact CD1-CE2 4.45Å; Y19-Y23 AromaticContact CE1-CE2 3.96Å; Y19-Y23 HydrophobicContact CE1-CE2 3.96Å; Y19-Y23 PolarHBondContact OH-OH 3.39Å; F20-Y23 HydrophobicContact CD1-CD2 4.03Å; F20-Y23 HydrophobicContact CD1-CE2 4.33Å; F20-Y23 PolarHBondContact O-N 3.38Å; S21-Y23 PolarHBondContact O-N 3.25Å; Y23-C53 WeakPolarHBondContact O-CB 3.17Å; Y23-C53 PolarHBondContact O-SG 3.49Å; Y23-T56 HydrophobicContact CD1-CG2 4.44Å; Y23-V57 HydrophobicContact CD1-CG2 4.25Å; Y23-V57 HydrophobicContact CD2-CG2 3.64Å; Y23-V57 HydrophobicContact CE2-CG2 4.32Å; Y23-V57 HydrophobicContact CG-CG2 3.59Å; Y23-S60 VanDerWaalsContact CE1-OG 3.25Å; Y23-S60 WeakPolarHBondContact CE1-OG 3.16Å; Y23-H63 AromaticContact CZ-CE1 3.69Å; Y23-H63 AromaticContact CZ-ND1 3.8Å; Y23-H63 PolarHBondContact OH-CE1 2.79Å; Y23-H63 VanDerWaalsContact OH-CE1 3.32Å; Y23-H63 PolarHBondContact OH-ND1 2.82Å; Y23-H63 VanDerWaalsContact OH-ND1 3.1Å
24G90.4Very high92.2Very high22 Ų2260.2 Ų60.223%0.22731%0.312CS..SBendtrans145.8172.1178.500000114.4S21 V26S21-G24 WeakPolarHBondContact CA-O 3.47Å; S21-G24 PolarHBondContact O-N 3.46Å; G24-V26 PolarHBondContact O-N 2.66Å
25E93.8Very high92.1Very high101 Ų10163.3 Ų63.347%0.47232%0.323SS..  trans-66.8113.6-172.3-168.8-179.9137.100112.4V27 F48 K49E25-V27 PolarHBondContact O-N 3.29Å; E25-F48 CarbonylContact O-C 3.6Å; E25-F48 WeakPolarHBondContact O-CA 3.2Å; E25-K49 HydrophobicContact CB-CB 4.13Å; E25-K49 HydrophobicContact CB-CD 4.12Å; E25-K49 HydrophobicContact CG-CD 4.12Å; E25-K49 PolarHBondContact O-N 3.33Å; E25-K49 VanDerWaalsContact OE1-CD 3.24Å; E25-K49 WeakPolarHBondContact OE1-CD 3.26Å; E25-K49 IonicContact OE1-NZ 2.82Å; E25-K49 PolarHBondContact OE1-NZ 2.87Å; E25-K49 VanDerWaalsContact OE2-CD 3.3Å; E25-K49 WeakPolarHBondContact OE2-CD 3.35Å; E25-K49 IonicContact OE2-NZ 2.65Å; E25-K49 PolarHBondContact OE2-NZ 3.24Å
26V94.3Very high91.9Very high3 Ų366.4 Ų66.42%0.01834%0.342CS..EExtended strand (participates in β ladder)trans-85.7109.5176.2179.80000110.3R17 F20 G24 D28 C29 V46 F48R17-V26 HydrophobicContact CG-CB 4.03Å; R17-V26 HydrophobicContact CG-CG1 3.98Å; R17-V26 PolarHBondContact NE-O 2.85Å; R17-V26 PolarHBondContact NH2-O 2.77Å; R17-V26 VanDerWaalsContact NH2-O 3.17Å; F20-V26 HydrophobicContact CB-CG2 4Å; G24-V26 PolarHBondContact O-N 2.66Å; V26-D28 WeakPolarHBondContact CG1-O 3.38Å; V26-C29 HydrophobicContact CG1-CB 3.99Å; V26-V46 HydrophobicContact CG1-CG1 3.84Å; V26-V46 HydrophobicContact CG2-CG1 3.95Å; V26-F48 HydrophobicContact CG2-CD1 3.99Å; V26-F48 HydrophobicContact CG2-CE1 3.71Å; V26-F48 HydrophobicContact CG2-CZ 4.49Å
27V93.2Very high91.6Very high73 Ų7370.5 Ų70.544%0.44237%0.367SS..EExtended strand (participates in β ladder)trans-78.8-41.3178.6175.10000111.8E25 K47 K49E25-V27 PolarHBondContact O-N 3.29Å; V27-K47 WeakPolarHBondContact CB-O 3.33Å; V27-K47 HydrophobicContact CG1-CD 4.38Å; V27-K47 PolarHBondContact N-O 3.18Å; V27-K49 HydrophobicContact CG2-CB 3.67Å; V27-K49 HydrophobicContact CG2-CG 4.33Å
28D91.5Very high91.3Very high62 Ų6269.7 Ų69.733%0.33237%0.373SS..EExtended strand (participates in β ladder)trans-147.1146.5-178.9163.549.2000109.9V26 V30 K47V26-D28 WeakPolarHBondContact CG1-O 3.38Å; D28-V30 WeakPolarHBondContact OD1-CG2 3.36Å; D28-K47 HydrophobicContact CB-CB 3.97Å; D28-K47 HydrophobicContact CB-CD 4.2Å; D28-K47 PolarHBondContact N-O 3.07Å; D28-K47 PolarHBondContact O-N 3.47Å
29C92.3Very high91.1Very high3 Ų370 Ų702%0.0236%0.364CS..EExtended strand (participates in β ladder)trans-153.2129.7-179.847.40000109Q13 V26 F45Q13-C29 HydrophobicContact CG-CB 4.42Å; Q13-C29 WeakPolarHBondContact CG-O 3.48Å; Q13-C29 VanDerWaalsContact CG-SG 3.58Å; Q13-C29 PolarHBondContact NE2-O 2.97Å; V26-C29 HydrophobicContact CG1-CB 3.99Å; C29-F45 CarbonylContact C-O 3.56Å; C29-F45 WeakPolarHBondContact CA-O 3.29Å
30V91.8Very high91Very high57 Ų5768.1 Ų68.135%0.34536%0.358SS..EExtended strand (participates in β ladder)trans-139.4120.1-174.6-178.20000109.9D28 M32 G44 F45D28-V30 WeakPolarHBondContact OD1-CG2 3.36Å; V30-M32 HydrophobicContact CG1-SD 4.42Å; V30-G44 CarbonylContact O-C 3.51Å; V30-G44 WeakPolarHBondContact O-CA 3.45Å; V30-F45 PolarHBondContact N-O 2.86Å; V30-F45 PolarHBondContact O-N 3.05Å
31I93.3Very high90.9Very high15 Ų1574.7 Ų74.78%0.07738%0.383CS..EExtended strand (participates in β ladder)trans-88.1128.2169.5-65.2-178.4000108.9L7 T11 T12 L16 K33L7-I31 HydrophobicContact CD1-CD1 4.19Å; L7-I31 HydrophobicContact CD1-CG1 4.09Å; T11-I31 HydrophobicContact CG2-CD1 3.85Å; T11-I31 WeakPolarHBondContact O-CD1 3.24Å; T12-I31 VanDerWaalsContact O-CD1 3.29Å; T12-I31 WeakPolarHBondContact O-CD1 3.27Å; L16-I31 HydrophobicContact CB-CD1 4.33Å; L16-I31 HydrophobicContact CD2-CD1 4.2Å; L16-I31 HydrophobicContact CD2-CG1 3.75Å; I31-K33 HydrophobicContact CG2-CG 4.47Å; I31-K33 PolarHBondContact O-N 2.95Å; I31-K33 VanDerWaalsContact O-N 3.16Å
32M91.9Very high90.8Very high65 Ų6572.2 Ų72.232%0.3237%0.367SS..EExtended strand (participates in β ladder)trans-79.8102.5179.3-67.4-60.1-53.400109.2V30 R41 F43 F45V30-M32 HydrophobicContact CG1-SD 4.42Å; M32-R41 WeakPolarHBondContact O-CB 3.39Å; M32-R41 WeakPolarHBondContact O-CD 3.36Å; M32-R41 WeakPolarHBondContact O-CG 3.25Å; M32-R41 PolarHBondContact O-N 2.86Å; M32-F43 HydrophobicContact CB-CD2 4.07Å; M32-F43 HydrophobicContact CB-CE1 4.2Å; M32-F43 HydrophobicContact CB-CE2 3.64Å; M32-F43 HydrophobicContact CB-CZ 3.7Å; M32-F43 HydrophobicContact CG-CD2 3.98Å; M32-F43 HydrophobicContact CG-CE2 3.47Å; M32-F43 VanDerWaalsContact CG-CE2 3.47Å; M32-F43 HydrophobicContact CG-CZ 3.99Å; M32-F43 PolarHBondContact N-O 3.29Å; M32-F45 HydrophobicContact CG-CD2 4.21Å; M32-F45 HydrophobicContact CG-CE2 3.93Å; M32-F45 HydrophobicContact SD-CD2 4.48Å; M32-F45 HydrophobicContact SD-CE2 4.27Å
33K92.6Very high90.9Very high115 Ų11568.7 Ų68.750%0.535%0.35SS..EExtended strand (participates in β ladder)trans-86.8159.4172.4-63.3178.7176.7-171.40111I31 N38 Q39 R41I31-K33 HydrophobicContact CG2-CG 4.47Å; I31-K33 PolarHBondContact O-N 2.95Å; I31-K33 VanDerWaalsContact O-N 3.16Å; K33-N38 WeakPolarHBondContact CD-O 3.25Å; K33-Q39 CarbonylContact C-O 3.53Å; K33-Q39 VanDerWaalsContact CA-O 3.23Å; K33-Q39 WeakPolarHBondContact CA-O 3.31Å; K33-R41 WeakPolarHBondContact O-CD 3.48Å
34D90.3Very high91.1Very high68 Ų6866.8 Ų66.836%0.36434%0.343SS..  trans-76.8145.5168.2-155.3-17000110.4N38 Q39 R41D34-N38 WeakPolarHBondContact O-CA 3.2Å; D34-N38 PolarHBondContact O-N 3Å; D34-N38 VanDerWaalsContact O-N 3.08Å; D34-Q39 PolarHBondContact N-O 3.26Å; D34-R41 HydrophobicContact CB-CG 4.36Å
35K88.4Confident91.3Very high197 Ų19768 Ų6886%0.85734%0.342SS*.THydrogen-bonded Turntrans-78.6-21.4-175.9-69.4-167.8173.3-1660113.5
36T88Confident91.3Very high116 Ų11663.2 Ų63.271%0.71232%0.32SS*.THydrogen-bonded Turntrans-91.9-47.9-178.349.40000111.9
37T87.8Confident91.2Very high85 Ų8567.8 Ų67.852%0.52134%0.339SS..THydrogen-bonded Turntrans-97.3-10.7-176.663.30000114.1Q39T37-Q39 PolarHBondContact O-N 3.21Å; T37-Q39 WeakPolarHBondContact OG1-CB 3.45Å; T37-Q39 PolarHBondContact OG1-N 3.35Å
38N87.1Confident91.2Very high115 Ų11564.7 Ų64.762%0.61532%0.32SS*.  trans56.29-169.3-72.9-81.3000115.4K33 D34K33-N38 WeakPolarHBondContact CD-O 3.25Å; D34-N38 WeakPolarHBondContact O-CA 3.2Å; D34-N38 PolarHBondContact O-N 3Å; D34-N38 VanDerWaalsContact O-N 3.08Å
39Q87.6Confident91.3Very high97 Ų9767.3 Ų67.345%0.45333%0.328SS..  trans-70.9142.9178.4-166.3178.810.400111.1K33 D34 T37 R41K33-Q39 CarbonylContact C-O 3.53Å; K33-Q39 VanDerWaalsContact CA-O 3.23Å; K33-Q39 WeakPolarHBondContact CA-O 3.31Å; D34-Q39 PolarHBondContact N-O 3.26Å; T37-Q39 PolarHBondContact O-N 3.21Å; T37-Q39 WeakPolarHBondContact OG1-CB 3.45Å; T37-Q39 PolarHBondContact OG1-N 3.35Å; Q39-R41 PolarHBondContact O-N 2.76Å
40S91.4Very high91.3Very high8 Ų870.9 Ų70.96%0.05635%0.347CS..EExtended strand (participates in β ladder)trans-58.8133.7169.6167.40000110.5D8 W9 G42D8-S40 PolarHBondContact O-OG 2.86Å; W9-S40 WeakPolarHBondContact O-CB 3.21Å; S40-G42 PolarHBondContact O-N 2.93Å; S40-G42 PolarHBondContact OG-N 3.41Å
41R89.6Confident91Very high139 Ų13972.8 Ų72.853%0.52536%0.36SS..EExtended strand (participates in β ladder)trans-84.88.8177.6-58.7171.360.7156.64.3113.1M32 K33 D34 Q39 F43M32-R41 WeakPolarHBondContact O-CB 3.39Å; M32-R41 WeakPolarHBondContact O-CD 3.36Å; M32-R41 WeakPolarHBondContact O-CG 3.25Å; M32-R41 PolarHBondContact O-N 2.86Å; K33-R41 WeakPolarHBondContact O-CD 3.48Å; D34-R41 HydrophobicContact CB-CG 4.36Å; Q39-R41 PolarHBondContact O-N 2.76Å; R41-F43 VanDerWaalsContact C-N 3.31Å; R41-F43 HydrophobicContact CB-CD1 3.85Å; R41-F43 HydrophobicContact CB-CE1 3.64Å; R41-F43 PolarHBondContact O-N 3.5Å
42G90.1Very high90.9Very high12 Ų1278.1 Ų78.112%0.12439%0.389CS..EExtended strand (participates in β ladder)trans72.519.6-178.100000114.5G6 L7 S40G6-G42 PolarHBondContact N-O 3.15Å; L7-G42 PolarHBondContact N-O 3.4Å; L7-G42 VanDerWaalsContact O-CA 3.25Å; L7-G42 WeakPolarHBondContact O-CA 3.5Å; S40-G42 PolarHBondContact O-N 2.93Å; S40-G42 PolarHBondContact OG-N 3.41Å
43F93.6Very high90.7Very high49 Ų4975.7 Ų75.722%0.21538%0.379CS..EExtended strand (participates in β ladder)trans-150.9155.6173.174-85.7000112.8F3 V4 M32 R41 F45F3-F43 HydrophobicContact CD2-CD2 4.39Å; F3-F43 HydrophobicContact CE2-CB 4.04Å; F3-F43 AromaticContact CE2-CD2 3.6Å; F3-F43 HydrophobicContact CE2-CD2 3.6Å; F3-F43 HydrophobicContact CE2-CE2 4.34Å; F3-F43 HydrophobicContact CE2-CG 4.09Å; F3-F43 HydrophobicContact CZ-CB 4.03Å; F3-F43 HydrophobicContact CZ-CD2 4.37Å; F3-F43 HydrophobicContact CZ-CG 4.43Å; V4-F43 CarbonylContact O-C 3.39Å; V4-F43 VanDerWaalsContact O-CA 3.22Å; V4-F43 WeakPolarHBondContact O-CA 3.29Å; V4-F43 WeakPolarHBondContact O-CB 3.46Å; M32-F43 HydrophobicContact CB-CD2 4.07Å; M32-F43 HydrophobicContact CB-CE1 4.2Å; M32-F43 HydrophobicContact CB-CE2 3.64Å; M32-F43 HydrophobicContact CB-CZ 3.7Å; M32-F43 HydrophobicContact CG-CD2 3.98Å; M32-F43 HydrophobicContact CG-CE2 3.47Å; M32-F43 VanDerWaalsContact CG-CE2 3.47Å; M32-F43 HydrophobicContact CG-CZ 3.99Å; M32-F43 PolarHBondContact N-O 3.29Å; R41-F43 VanDerWaalsContact C-N 3.31Å; R41-F43 HydrophobicContact CB-CD1 3.85Å; R41-F43 HydrophobicContact CB-CE1 3.64Å; R41-F43 PolarHBondContact O-N 3.5Å; F43-F45 HydrophobicContact CE2-CE2 4.37Å
44G93.7Very high90.5Very high0 Ų071.2 Ų71.20%036%0.361CS..EExtended strand (participates in β ladder)trans-150.3-174.7177.600000112.8V4 V30V4-G44 PolarHBondContact N-O 3.26Å; V4-G44 PolarHBondContact O-N 3.32Å; V30-G44 CarbonylContact O-C 3.51Å; V30-G44 WeakPolarHBondContact O-CA 3.45Å
45F94.3Very high90.4Very high49 Ų4970 Ų7022%0.21536%0.364CS..EExtended strand (participates in β ladder)trans-129.6144.9174.5-62.2-84.2000110.3K1 L2 F3 C29 V30 M32 F43K1-F45 VanDerWaalsContact CE-CB 3.5Å; L2-F45 WeakPolarHBondContact O-CA 3.37Å; F3-F45 HydrophobicContact CB-CD1 4.25Å; F3-F45 HydrophobicContact CB-CE1 4.18Å; F3-F45 HydrophobicContact CD2-CD1 4.37Å; F3-F45 AromaticContact CD2-CE1 3.8Å; F3-F45 HydrophobicContact CD2-CE1 3.8Å; F3-F45 HydrophobicContact CD2-CZ 4.14Å; F3-F45 HydrophobicContact CG-CE1 4.49Å; C29-F45 CarbonylContact C-O 3.56Å; C29-F45 WeakPolarHBondContact CA-O 3.29Å; V30-F45 PolarHBondContact N-O 2.86Å; V30-F45 PolarHBondContact O-N 3.05Å; M32-F45 HydrophobicContact CG-CD2 4.21Å; M32-F45 HydrophobicContact CG-CE2 3.93Å; M32-F45 HydrophobicContact SD-CD2 4.48Å; M32-F45 HydrophobicContact SD-CE2 4.27Å; F43-F45 HydrophobicContact CE2-CE2 4.37Å
46V94Very high90.4Very high0 Ų064.3 Ų64.30%035%0.346CS..EExtended strand (participates in β ladder)trans-126.7133.3176.2-179.10000109.3K1 L2 V4 L16 F20 V26 F48K1-V46 CarbonylContact C-O 3.5Å; K1-V46 WeakPolarHBondContact CA-O 3.46Å; L2-V46 HydrophobicContact CB-CB 4.43Å; L2-V46 PolarHBondContact N-O 2.76Å; L2-V46 PolarHBondContact O-N 3.25Å; V4-V46 HydrophobicContact CG2-CG2 3.99Å; L16-V46 HydrophobicContact CD2-CG2 4.02Å; L16-V46 HydrophobicContact CG-CG2 4.11Å; F20-V46 HydrophobicContact CB-CG1 4.13Å; F20-V46 HydrophobicContact CD2-CG2 3.82Å; F20-V46 HydrophobicContact CE2-CG2 4.3Å; F20-V46 HydrophobicContact CG-CG1 4.39Å; F20-V46 HydrophobicContact CG-CG2 4.29Å; V26-V46 HydrophobicContact CG1-CG1 3.84Å; V26-V46 HydrophobicContact CG2-CG1 3.95Å; V46-F48 HydrophobicContact CG1-CD2 4.48Å; V46-F48 HydrophobicContact CG1-CE2 4.16Å; V46-F48 HydrophobicContact CG1-CZ 4.21Å
47K92.2Very high90.5Very high99 Ų9958.8 Ų58.843%0.4331%0.312SS..EExtended strand (participates in β ladder)trans-11699.7175.4-174.5-166.2178.9-167.20108.2V27 D28V27-K47 WeakPolarHBondContact CB-O 3.33Å; V27-K47 HydrophobicContact CG1-CD 4.38Å; V27-K47 PolarHBondContact N-O 3.18Å; D28-K47 HydrophobicContact CB-CB 3.97Å; D28-K47 HydrophobicContact CB-CD 4.2Å; D28-K47 PolarHBondContact N-O 3.07Å; D28-K47 PolarHBondContact O-N 3.47Å
48F94.2Very high90.6Very high8 Ų857.4 Ų57.44%0.03530%0.301CS..EExtended strand (participates in β ladder)trans-64.2155162-65.1-73000111.2L2 F20 E25 V26 V46 D50 C53 V54 V57L2-F48 HydrophobicContact CD2-CE2 4.26Å; F20-F48 HydrophobicContact CB-CE1 4.3Å; F20-F48 HydrophobicContact CB-CZ 3.93Å; F20-F48 AromaticContact CD1-CZ 3.99Å; F20-F48 HydrophobicContact CD1-CZ 3.99Å; F20-F48 HydrophobicContact CG-CZ 4.32Å; F20-F48 WeakPolarHBondContact O-CE1 3.24Å; E25-F48 CarbonylContact O-C 3.6Å; E25-F48 WeakPolarHBondContact O-CA 3.2Å; V26-F48 HydrophobicContact CG2-CD1 3.99Å; V26-F48 HydrophobicContact CG2-CE1 3.71Å; V26-F48 HydrophobicContact CG2-CZ 4.49Å; V46-F48 HydrophobicContact CG1-CD2 4.48Å; V46-F48 HydrophobicContact CG1-CE2 4.16Å; V46-F48 HydrophobicContact CG1-CZ 4.21Å; F48-D50 WeakPolarHBondContact CB-O 3.43Å; F48-C53 HydrophobicContact CB-CB 3.98Å; F48-C53 HydrophobicContact CD1-CB 3.76Å; F48-C53 HydrophobicContact CD2-CB 3.93Å; F48-C53 HydrophobicContact CE1-CB 4.19Å; F48-C53 HydrophobicContact CE2-CB 4.36Å; F48-C53 HydrophobicContact CG-CB 3.61Å; F48-C53 HydrophobicContact CZ-CB 4.47Å; F48-V54 HydrophobicContact CD2-CG2 4.09Å; F48-V57 HydrophobicContact CE2-CG2 4.02Å; F48-V57 HydrophobicContact CZ-CG2 3.9Å
49K93Very high90.6Very high117 Ų11756 Ų5651%0.50931%0.306SS..SBendtrans-62.7-57.2166.5-173.6165.6178.3172.50109.9E25 V27E25-K49 HydrophobicContact CB-CB 4.13Å; E25-K49 HydrophobicContact CB-CD 4.12Å; E25-K49 HydrophobicContact CG-CD 4.12Å; E25-K49 PolarHBondContact O-N 3.33Å; E25-K49 VanDerWaalsContact OE1-CD 3.24Å; E25-K49 WeakPolarHBondContact OE1-CD 3.26Å; E25-K49 IonicContact OE1-NZ 2.82Å; E25-K49 PolarHBondContact OE1-NZ 2.87Å; E25-K49 VanDerWaalsContact OE2-CD 3.3Å; E25-K49 WeakPolarHBondContact OE2-CD 3.35Å; E25-K49 IonicContact OE2-NZ 2.65Å; E25-K49 PolarHBondContact OE2-NZ 3.24Å; V27-K49 HydrophobicContact CG2-CB 3.67Å; V27-K49 HydrophobicContact CG2-CG 4.33Å
50D91.6Very high90.5Very high78 Ų7853.6 Ų53.642%0.41730%0.3SS..SBendtrans-90.6138.7-178.2-56.2-78.2000111.8F48 N52F48-D50 WeakPolarHBondContact CB-O 3.43Å; D50-N52 VanDerWaalsContact C-N 3.28Å; D50-N52 PolarHBondContact O-N 3.17Å
51P87.3Confident90.2Very high96 Ų9658.8 Ų58.862%0.62332%0.318SS*.SBendtrans-68.4-29.4176.928.2-33.7000112C53 V54P51-C53 VanDerWaalsContact C-N 3.28Å; P51-C53 PolarHBondContact O-N 3.36Å; P51-V54 VanDerWaalsContact O-CB 3.24Å; P51-V54 WeakPolarHBondContact O-CB 3.22Å; P51-V54 WeakPolarHBondContact O-CG2 3.35Å; P51-V54 PolarHBondContact O-N 3.17Å
52N89.3Confident90Very high127 Ų12757.7 Ų57.768%0.67933%0.329SS*.Hα-helixtrans-60.6-35.6-175.5-62.8-12.2000112.4D50 V54 G55 T56D50-N52 VanDerWaalsContact C-N 3.28Å; D50-N52 PolarHBondContact O-N 3.17Å; N52-V54 PolarHBondContact O-N 3.46Å; N52-V54 VanDerWaalsContact O-N 3.15Å; N52-G55 WeakPolarHBondContact O-CA 3.36Å; N52-G55 PolarHBondContact O-N 2.84Å; N52-T56 PolarHBondContact O-N 3.06Å; N52-T56 VanDerWaalsContact O-N 3.15Å; N52-T56 PolarHBondContact O-OG1 3.43Å
53C89.4Confident90Very high15 Ų1557.2 Ų57.210%0.10132%0.324CS..Hα-helixtrans-57.1-29.1175.3-57.90000113Y23 F48 P51 G55 T56 V57Y23-C53 WeakPolarHBondContact O-CB 3.17Å; Y23-C53 PolarHBondContact O-SG 3.49Å; F48-C53 HydrophobicContact CB-CB 3.98Å; F48-C53 HydrophobicContact CD1-CB 3.76Å; F48-C53 HydrophobicContact CD2-CB 3.93Å; F48-C53 HydrophobicContact CE1-CB 4.19Å; F48-C53 HydrophobicContact CE2-CB 4.36Å; F48-C53 HydrophobicContact CG-CB 3.61Å; F48-C53 HydrophobicContact CZ-CB 4.47Å; P51-C53 VanDerWaalsContact C-N 3.28Å; P51-C53 PolarHBondContact O-N 3.36Å; C53-G55 VanDerWaalsContact C-N 3.33Å; C53-T56 PolarHBondContact O-N 3.14Å; C53-V57 WeakPolarHBondContact O-CG2 3.43Å; C53-V57 PolarHBondContact O-N 3.07Å
54V87.9Confident89.7Confident20 Ų2058.1 Ų58.112%0.12133%0.333CS..Hα-helixtrans-64.6-39.4174.1-177.20000110.5L2 F48 P51 N52 L58L2-V54 HydrophobicContact CD1-CG1 3.97Å; F48-V54 HydrophobicContact CD2-CG2 4.09Å; P51-V54 VanDerWaalsContact O-CB 3.24Å; P51-V54 WeakPolarHBondContact O-CB 3.22Å; P51-V54 WeakPolarHBondContact O-CG2 3.35Å; P51-V54 PolarHBondContact O-N 3.17Å; N52-V54 PolarHBondContact O-N 3.46Å; N52-V54 VanDerWaalsContact O-N 3.15Å; V54-L58 HydrophobicContact CG1-CD1 3.97Å; V54-L58 WeakPolarHBondContact O-CB 3.11Å; V54-L58 WeakPolarHBondContact O-CD1 3.44Å; V54-L58 WeakPolarHBondContact O-CG 3.39Å; V54-L58 PolarHBondContact O-N 3.01Å
55G87.2Confident89.5Confident43 Ų4358.5 Ų58.544%0.44334%0.335SS..Hα-helixtrans-66.1-48.2174.700000112.2N52 C53 V57 L58 A59N52-G55 WeakPolarHBondContact O-CA 3.36Å; N52-G55 PolarHBondContact O-N 2.84Å; C53-G55 VanDerWaalsContact C-N 3.33Å; G55-V57 VanDerWaalsContact C-N 3.32Å; G55-V57 PolarHBondContact O-N 3.49Å; G55-L58 PolarHBondContact O-N 2.87Å; G55-L58 VanDerWaalsContact O-N 3.12Å; G55-A59 WeakPolarHBondContact O-CB 3.25Å; G55-A59 PolarHBondContact O-N 3.46Å
56T89.3Confident89.1Confident78 Ų7859.9 Ų59.948%0.47935%0.345SS..Hα-helixtrans-57.6-42.5177.7-46.60000112.3Y23 N52 C53 A59 S60Y23-T56 HydrophobicContact CD1-CG2 4.44Å; N52-T56 PolarHBondContact O-N 3.06Å; N52-T56 VanDerWaalsContact O-N 3.15Å; N52-T56 PolarHBondContact O-OG1 3.43Å; C53-T56 PolarHBondContact O-N 3.14Å; T56-A59 PolarHBondContact O-N 2.98Å; T56-S60 WeakPolarHBondContact O-CB 3.37Å; T56-S60 PolarHBondContact O-N 2.73Å; T56-S60 VanDerWaalsContact O-N 3.12Å; T56-S60 PolarHBondContact O-OG 3.37Å
57V90.5Very high88.6Confident0 Ų063.5 Ų63.50%038%0.383CS..Hα-helixtrans-62.1-51.4172.9169.20000110.9L2 F20 Y23 F48 C53 G55 A59 S60 H63 P72L2-V57 HydrophobicContact CD1-CG1 4.42Å; L2-V57 HydrophobicContact CD2-CG1 3.84Å; F20-V57 HydrophobicContact CD1-CG1 4.44Å; F20-V57 HydrophobicContact CD1-CG2 4.05Å; F20-V57 HydrophobicContact CE1-CG1 3.78Å; F20-V57 HydrophobicContact CE1-CG2 4.19Å; Y23-V57 HydrophobicContact CD1-CG2 4.25Å; Y23-V57 HydrophobicContact CD2-CG2 3.64Å; Y23-V57 HydrophobicContact CE2-CG2 4.32Å; Y23-V57 HydrophobicContact CG-CG2 3.59Å; F48-V57 HydrophobicContact CE2-CG2 4.02Å; F48-V57 HydrophobicContact CZ-CG2 3.9Å; C53-V57 WeakPolarHBondContact O-CG2 3.43Å; C53-V57 PolarHBondContact O-N 3.07Å; G55-V57 VanDerWaalsContact C-N 3.32Å; G55-V57 PolarHBondContact O-N 3.49Å; V57-A59 PolarHBondContact O-N 3.25Å; V57-A59 VanDerWaalsContact O-N 3.15Å; V57-S60 PolarHBondContact O-N 3.11Å; V57-S60 PolarHBondContact O-OG 2.77Å; V57-H63 PolarHBondContact O-NE2 3.48Å; V57-P72 HydrophobicContact CG1-CB 3.67Å; V57-P72 HydrophobicContact CG1-CG 3.74Å
58L89.2Confident88.5Confident55 Ų5565.7 Ų65.729%0.28839%0.388SS..Hα-helixtrans-61.9-27.1-177.8-68.2169.2000113.5L2 V54 G55 R61 P72 P74L2-L58 HydrophobicContact CD1-CD2 4.33Å; L2-L58 HydrophobicContact CD1-CG 4.48Å; V54-L58 HydrophobicContact CG1-CD1 3.97Å; V54-L58 WeakPolarHBondContact O-CB 3.11Å; V54-L58 WeakPolarHBondContact O-CD1 3.44Å; V54-L58 WeakPolarHBondContact O-CG 3.39Å; V54-L58 PolarHBondContact O-N 3.01Å; G55-L58 PolarHBondContact O-N 2.87Å; G55-L58 VanDerWaalsContact O-N 3.12Å; L58-R61 VanDerWaalsContact O-CD 3.25Å; L58-R61 WeakPolarHBondContact O-CD 3.32Å; L58-R61 WeakPolarHBondContact O-CG 3.27Å; L58-P72 WeakPolarHBondContact CD2-O 3.15Å; L58-P74 HydrophobicContact CD1-CB 4.24Å; L58-P74 HydrophobicContact CD1-CG 4.3Å
59A88.3Confident88.3Confident87 Ų8770.5 Ų70.572%0.71941%0.414SS*.Hα-helixtrans-82-23.7174.900000114.4G55 T56 V57 R61G55-A59 WeakPolarHBondContact O-CB 3.25Å; G55-A59 PolarHBondContact O-N 3.46Å; T56-A59 PolarHBondContact O-N 2.98Å; V57-A59 PolarHBondContact O-N 3.25Å; V57-A59 VanDerWaalsContact O-N 3.15Å; A59-R61 VanDerWaalsContact C-N 3.33Å; A59-R61 PolarHBondContact O-N 2.74Å
60S85.4Confident88.3Confident45 Ų4565.3 Ų65.332%0.31539%0.392SS..SBendtrans-96.228.2-175.749.20000114Y23 T56 V57 H63Y23-S60 VanDerWaalsContact CE1-OG 3.25Å; Y23-S60 WeakPolarHBondContact CE1-OG 3.16Å; T56-S60 WeakPolarHBondContact O-CB 3.37Å; T56-S60 PolarHBondContact O-N 2.73Å; T56-S60 VanDerWaalsContact O-N 3.12Å; T56-S60 PolarHBondContact O-OG 3.37Å; V57-S60 PolarHBondContact O-N 3.11Å; V57-S60 PolarHBondContact O-OG 2.77Å; S60-H63 PolarHBondContact O-CE1 2.93Å; S60-H63 VanDerWaalsContact O-CE1 3.29Å; S60-H63 PolarHBondContact O-NE2 3.49Å; S60-H63 PolarHBondContact OG-CE1 3.26Å
61R84.5Confident88.2Confident117 Ų11763.6 Ų63.644%0.44238%0.383SS..PPolyproline II helixtrans-71.7147.7171.3-63.417164.699.63.6109.9L58 A59 D71 P72L58-R61 VanDerWaalsContact O-CD 3.25Å; L58-R61 WeakPolarHBondContact O-CD 3.32Å; L58-R61 WeakPolarHBondContact O-CG 3.27Å; A59-R61 VanDerWaalsContact C-N 3.33Å; A59-R61 PolarHBondContact O-N 2.74Å; R61-D71 IonicContact CZ-OD2 3.6Å; R61-D71 VanDerWaalsContact CZ-OD2 3.28Å; R61-D71 IonicContact NH1-OD2 2.65Å; R61-D71 PolarHBondContact NH1-OD2 2.83Å; R61-D71 IonicContact NH2-OD2 2.65Å; R61-D71 PolarHBondContact NH2-OD2 2.76Å; R61-P72 PolarHBondContact NH1-O 2.65Å
62P85.3Confident88.3Confident116 Ų11659 Ų5975%0.75335%0.353SS*.PPolyproline II helixcis-81.4146.82.633.3-35.4000113.1
63H89.5Confident88.4Confident2 Ų257.8 Ų57.81%0.00934%0.342CS..EExtended strand (participates in β ladder)trans-103.1148.1172.9-59.9-85.5000110.8Y19 Y23 V57 S60 N69 I70 P72Y19-H63 HydrophobicContact CE1-CB 4.27Å; Y19-H63 AromaticContact CE1-ND1 3.93Å; Y19-H63 WeakPolarHBondContact OH-CB 3.32Å; Y19-H63 PolarHBondContact OH-ND1 3.36Å; Y19-H63 VanDerWaalsContact OH-ND1 3.17Å; Y23-H63 AromaticContact CZ-CE1 3.69Å; Y23-H63 AromaticContact CZ-ND1 3.8Å; Y23-H63 PolarHBondContact OH-CE1 2.79Å; Y23-H63 VanDerWaalsContact OH-CE1 3.32Å; Y23-H63 PolarHBondContact OH-ND1 2.82Å; Y23-H63 VanDerWaalsContact OH-ND1 3.1Å; V57-H63 PolarHBondContact O-NE2 3.48Å; S60-H63 PolarHBondContact O-CE1 2.93Å; S60-H63 VanDerWaalsContact O-CE1 3.29Å; S60-H63 PolarHBondContact O-NE2 3.49Å; S60-H63 PolarHBondContact OG-CE1 3.26Å; H63-N69 WeakPolarHBondContact O-CA 3.44Å; H63-N69 PolarHBondContact O-ND2 3.26Å; H63-I70 HydrophobicContact CB-CD1 3.98Å; H63-I70 HydrophobicContact CB-CG1 3.4Å; H63-I70 VanDerWaalsContact CB-CG1 3.4Å; H63-I70 PolarHBondContact O-N 2.9Å; H63-P72 WeakPolarHBondContact CD2-CG 3.21Å
64T88.7Confident88.2Confident69 Ų6961 Ų6142%0.42336%0.362SS..EExtended strand (participates in β ladder)trans-138.3132.1176.9-51.40000108.8Y19 R68 N69Y19-T64 VanDerWaalsContact CE2-O 3.29Å; Y19-T64 WeakPolarHBondContact CE2-O 3.5Å; T64-R68 CarbonylContact C-O 3.54Å; T64-R68 VanDerWaalsContact CA-O 3.31Å; T64-R68 WeakPolarHBondContact CA-O 3.36Å; T64-N69 PolarHBondContact OG1-ND2 3.03Å; T64-N69 VanDerWaalsContact OG1-ND2 3.07Å
65L88.7Confident87.9Confident8 Ų861.5 Ų61.54%0.04237%0.367CS..EExtended strand (participates in β ladder)trans-145.4135.2-177.2-179.8155.6000108.1T11 L16 Y19 G67 R68 I70T11-L65 HydrophobicContact CG2-CD2 3.52Å; T11-L65 WeakPolarHBondContact OG1-CD2 3.43Å; L16-L65 HydrophobicContact CD1-CD1 4.26Å; Y19-L65 HydrophobicContact CD1-CD1 3.95Å; Y19-L65 HydrophobicContact CD2-CD1 4.36Å; Y19-L65 HydrophobicContact CG-CD1 3.7Å; Y19-L65 HydrophobicContact CG-CG 4.45Å; L65-G67 PolarHBondContact O-N 2.98Å; L65-G67 VanDerWaalsContact O-N 3.11Å; L65-R68 PolarHBondContact N-O 2.83Å; L65-R68 WeakPolarHBondContact O-CA 3.32Å; L65-R68 WeakPolarHBondContact O-CB 3.38Å; L65-R68 PolarHBondContact O-N 3.38Å; L65-R68 VanDerWaalsContact O-O 3.08Å; L65-I70 HydrophobicContact CB-CD1 3.93Å; L65-I70 HydrophobicContact CB-CG2 3.91Å; L65-I70 HydrophobicContact CD1-CD1 4.15Å
66D86Confident87.3Confident77 Ų7763.2 Ų63.241%0.41237%0.368SS..THydrogen-bonded Turntrans49.635.1-175.5-53-23.2000113.5D8 T11 T15 R68D8-D66 HydrophobicContact CB-CB 4.36Å; T11-D66 WeakPolarHBondContact CA-OD2 3.19Å; T11-D66 VanDerWaalsContact CB-OD2 3.27Å; T11-D66 WeakPolarHBondContact CB-OD2 3.44Å; T11-D66 PolarHBondContact OG1-OD2 3.48Å; T15-D66 PolarHBondContact OG1-OD2 2.85Å; D66-R68 PolarHBondContact O-N 3.3Å
67G83.8Confident86Confident77 Ų7763.3 Ų63.379%0.79437%0.37SS*.THydrogen-bonded Turntrans74.23.5-17600000115.3L65L65-G67 PolarHBondContact O-N 2.98Å; L65-G67 VanDerWaalsContact O-N 3.11Å
68R88.6Confident84.5Confident144 Ų14475.2 Ų75.254%0.54342%0.415SS..EExtended strand (participates in β ladder)trans-108.1135.7-178.1-153.575.2-167.4179.44.8110.9G6 D8 T64 L65 D66 I70G6-R68 WeakPolarHBondContact O-CG 3.47Å; D8-R68 HydrophobicContact CB-CB 4.42Å; T64-R68 CarbonylContact C-O 3.54Å; T64-R68 VanDerWaalsContact CA-O 3.31Å; T64-R68 WeakPolarHBondContact CA-O 3.36Å; L65-R68 PolarHBondContact N-O 2.83Å; L65-R68 WeakPolarHBondContact O-CA 3.32Å; L65-R68 WeakPolarHBondContact O-CB 3.38Å; L65-R68 PolarHBondContact O-N 3.38Å; L65-R68 VanDerWaalsContact O-O 3.08Å; D66-R68 PolarHBondContact O-N 3.3Å; R68-I70 PolarHBondContact O-N 3.47Å
69N90.6Very high82.8Confident110 Ų11076.4 Ų76.459%0.58844%0.441SS*.EExtended strand (participates in β ladder)trans-72124.8170.4-70.2110.2000110.5H63 T64H63-N69 WeakPolarHBondContact O-CA 3.44Å; H63-N69 PolarHBondContact O-ND2 3.26Å; T64-N69 PolarHBondContact OG1-ND2 3.03Å; T64-N69 VanDerWaalsContact OG1-ND2 3.07Å
70I93.2Very high80.8Confident8 Ų879.6 Ų79.64%0.04144%0.443CS..EExtended strand (participates in β ladder)trans-105.8145.1-178.870.2176.6000110.6V4 G5 L7 Y19 F20 H63 L65 R68 P72V4-I70 HydrophobicContact CG1-CB 4.09Å; V4-I70 HydrophobicContact CG1-CD1 4.01Å; V4-I70 HydrophobicContact CG1-CG1 4.33Å; G5-I70 WeakPolarHBondContact O-CA 3.29Å; L7-I70 HydrophobicContact CD2-CB 4.3Å; L7-I70 HydrophobicContact CD2-CG2 3.79Å; Y19-I70 HydrophobicContact CD1-CD1 4.18Å; Y19-I70 HydrophobicContact CE1-CD1 3.88Å; F20-I70 HydrophobicContact CE2-CD1 3.86Å; F20-I70 HydrophobicContact CZ-CD1 3.64Å; H63-I70 HydrophobicContact CB-CD1 3.98Å; H63-I70 HydrophobicContact CB-CG1 3.4Å; H63-I70 VanDerWaalsContact CB-CG1 3.4Å; H63-I70 PolarHBondContact O-N 2.9Å; L65-I70 HydrophobicContact CB-CD1 3.93Å; L65-I70 HydrophobicContact CB-CG2 3.91Å; L65-I70 HydrophobicContact CD1-CD1 4.15Å; R68-I70 PolarHBondContact O-N 3.47Å; I70-P72 WeakPolarHBondContact O-CD 3.42Å
71D89.7Confident79.1Confident42 Ų4283.4 Ų83.423%0.22546%0.456CS..EExtended strand (participates in β ladder)trans-114.684.3-174179.6-139.4000110.2G5 R61 K73G5-D71 PolarHBondContact N-O 2.84Å; G5-D71 PolarHBondContact O-N 3.23Å; R61-D71 IonicContact CZ-OD2 3.6Å; R61-D71 VanDerWaalsContact CZ-OD2 3.28Å; R61-D71 IonicContact NH1-OD2 2.65Å; R61-D71 PolarHBondContact NH1-OD2 2.83Å; R61-D71 IonicContact NH2-OD2 2.65Å; R61-D71 PolarHBondContact NH2-OD2 2.76Å; D71-K73 WeakPolarHBondContact OD1-CD 3.49Å; D71-K73 WeakPolarHBondContact OD1-CE 3.41Å; D71-K73 IonicContact OD1-NZ 2.87Å; D71-K73 PolarHBondContact OD1-NZ 2.91Å; D71-K73 WeakPolarHBondContact OD2-CE 3.33Å; D71-K73 IonicContact OD2-NZ 3.94Å
72P90.4Very high77.3Confident0 Ų082.5 Ų82.50%047%0.465CS..EExtended strand (participates in β ladder)trans-74.4132.7173.729-31.7000110.8L2 F3 F20 V57 L58 R61 H63 I70L2-P72 HydrophobicContact CD1-CB 4.05Å; L2-P72 HydrophobicContact CD2-CB 3.76Å; L2-P72 HydrophobicContact CG-CB 4.12Å; F3-P72 CarbonylContact O-C 3.58Å; F3-P72 VanDerWaalsContact O-CA 3.32Å; F3-P72 WeakPolarHBondContact O-CA 3.19Å; F20-P72 HydrophobicContact CZ-CB 4.44Å; V57-P72 HydrophobicContact CG1-CB 3.67Å; V57-P72 HydrophobicContact CG1-CG 3.74Å; L58-P72 WeakPolarHBondContact CD2-O 3.15Å; R61-P72 PolarHBondContact NH1-O 2.65Å; H63-P72 WeakPolarHBondContact CD2-CG 3.21Å; I70-P72 WeakPolarHBondContact O-CD 3.42Å
73K90.2Very high75.3Confident100 Ų10085.7 Ų85.744%0.43547%0.47SS..EExtended strand (participates in β ladder)trans-137.3149.8-179.8-78.3172.5171.91550110.7L2 F3 D71 C75L2-K73 VanDerWaalsContact CD1-O 3.31Å; L2-K73 WeakPolarHBondContact CD1-O 3.33Å; F3-K73 HydrophobicContact CD1-CB 4.29Å; F3-K73 PolarHBondContact N-O 3.02Å; F3-K73 PolarHBondContact O-N 2.84Å; D71-K73 WeakPolarHBondContact OD1-CD 3.49Å; D71-K73 WeakPolarHBondContact OD1-CE 3.41Å; D71-K73 IonicContact OD1-NZ 2.87Å; D71-K73 PolarHBondContact OD1-NZ 2.91Å; D71-K73 WeakPolarHBondContact OD2-CE 3.33Å; D71-K73 IonicContact OD2-NZ 3.94Å; K73-C75 PolarHBondContact O-N 2.91Å
74P86.3Confident73.4Confident82 Ų8296.1 Ų96.153%0.53251%0.509SS..EExtended strand (participates in β ladder)trans-59131.7175.825.8-34.1000110.1L58 T76L58-P74 HydrophobicContact CD1-CB 4.24Å; L58-P74 HydrophobicContact CD1-CG 4.3Å; P74-T76 PolarHBondContact O-N 2.84Å
75C81.1Confident71.1Confident32 Ų3298.3 Ų98.322%0.21652%0.523CS..  trans-79.5105.3-175.1-175.20000111K1 K73K1-C75 HydrophobicContact CB-CB 4.13Å; K1-C75 HydrophobicContact CG-CB 3.94Å; K1-C75 WeakPolarHBondContact O-CB 3.42Å; K1-C75 PolarHBondContact O-N 2.95Å; K73-C75 PolarHBondContact O-N 2.91Å
76T73.8Confident69.2Low78 Ų78108.9 Ų108.948%0.47956%0.562SS.*  trans-58.5127.8166.2-30.20000109.4P74 Q81P74-T76 PolarHBondContact O-N 2.84Å; T76-Q81 HydrophobicContact CG2-CB 4.01Å
77P62.9Low67.1Low80 Ų80110.8 Ų110.852%0.51958%0.578SS.*  trans-71.4147.6178.629.5-34.1000110.5G79 M80 Q81P77-G79 PolarHBondContact O-N 3.17Å; P77-M80 HydrophobicContact CG-CB 3.88Å; P77-M80 CarbonylContact O-C 3.55Å; P77-M80 PolarHBondContact O-N 3.1Å; P77-Q81 PolarHBondContact O-N 2.81Å
78R58.6Low65.5Low250 Ų250116.9 Ų116.994%0.94358%0.583SS**THydrogen-bonded Turntrans-68-8-165.8-147.9178.6-169.1169.82.3115.7
79G52.7Low63.1Low80 Ų80118.5 Ų118.583%0.82560%0.597SS**THydrogen-bonded Turntrans-115.56.8172.700000114.5P77P77-G79 PolarHBondContact O-N 3.17Å
80M47.1Very low60.5Low155 Ų155115.8 Ų115.876%0.76460%0.595SS**THydrogen-bonded Turntrans-135.713.7172.5-145.5177.5-172.200112.7P77P77-M80 HydrophobicContact CG-CB 3.88Å; P77-M80 CarbonylContact O-C 3.55Å; P77-M80 PolarHBondContact O-N 3.1Å
81Q49.4Very low58.2Low125 Ų125128.7 Ų128.758%0.58464%0.643SS**SBendtrans-62.3122.4145.2-179.3163.674.200105.4T76 P77 E83T76-Q81 HydrophobicContact CG2-CB 4.01Å; P77-Q81 PolarHBondContact O-N 2.81Å; Q81-E83 PolarHBondContact O-N 3.36Å
82P47.7Very low55.8Low98 Ų98134.6 Ų134.664%0.63667%0.669SS**  trans-55.9143.8178.125.1-34.5000108.2R84P82-R84 PolarHBondContact O-N 3.43Å
83E42.8Very low53.6Low183 Ų183144.4 Ų144.486%0.85571%0.712SS**  trans-70.177.4-172.6-166167.712400111Q81 T85Q81-E83 PolarHBondContact O-N 3.36Å; E83-T85 PolarHBondContact O-N 3.47Å
84R48.3Very low51.1Low221 Ų221143.2 Ų143.283%0.83473%0.728SS**  trans-64.885.3155.3-76.4-169.9172.3-158.7-1.9106.2P82 R86P82-R84 PolarHBondContact O-N 3.43Å; R84-R86 VanDerWaalsContact C-N 3.28Å; R84-R86 PolarHBondContact O-N 3.1Å
85T41.4Very low49Very low115 Ų115143.5 Ų143.571%0.70673%0.732SS**  trans-29.794.8152.350.50000108.6E83 P87E83-T85 PolarHBondContact O-N 3.47Å; T85-P87 VanDerWaalsContact O-CD 3.28Å; T85-P87 WeakPolarHBondContact O-CD 3.38Å
86R49Very low47.5Very low229 Ų229153 Ų15386%0.86476%0.763SS**  trans-95.8102-177.2-176-179.9-175.4-173.82.5105.4R84 K88R84-R86 VanDerWaalsContact C-N 3.28Å; R84-R86 PolarHBondContact O-N 3.1Å; R86-K88 PolarHBondContact O-N 3Å
87P41.6Very low46.2Very low117 Ų117153.7 Ų153.776%0.7677%0.771SS**  trans-58.2118.8-172.3-2335.5000108.8T85 E89T85-P87 VanDerWaalsContact O-CD 3.28Å; T85-P87 WeakPolarHBondContact O-CD 3.38Å; P87-E89 PolarHBondContact O-N 3.47Å
88K49.9Very low45.5Very low206 Ų206156.2 Ų156.290%0.89678%0.78SS**  trans-93.945.1-172.3-167.9-146.6166.6-170.40110.1R86R86-K88 PolarHBondContact O-N 3Å
89E39.3Very low45.2Very low178 Ų178146.4 Ų146.483%0.83275%0.746SS**  trans-143.7143.9-173.3-102.3164.4-125.500111.1P87P87-E89 PolarHBondContact O-N 3.47Å
90G35.5Very low45.4Very low53 Ų53146.8 Ų146.855%0.54673%0.73SS.*  trans76.4118.616500000117.1Q92G90-Q92 PolarHBondContact O-N 2.83Å
91W45.2Very low46.1Very low278 Ų278147.1 Ų147.1100%1.05373%0.727SS**  trans-6970.2135.4-99.876.6000108.3
92Q39.3Very low47.3Very low166 Ų166142.5 Ų142.578%0.77671%0.708SS**  trans-119.188.2179-84.6-179.6-25.600110.3G90 G94G90-Q92 PolarHBondContact O-N 2.83Å; Q92-G94 PolarHBondContact O-N 3.28Å
93K43.1Very low49.3Very low207 Ų207140.7 Ų140.790%0.969%0.693SS**  trans2682.9144-171.5-171.6-177.5-178.70113.5S95K93-S95 PolarHBondContact O-N 2.9Å
94G38.8Very low51.5Low74 Ų74134.6 Ų134.676%0.76366%0.664SS**  trans-43.1122.5-175.700000112Q92Q92-G94 PolarHBondContact O-N 3.28Å
95S40.9Very low53.6Low88 Ų88124.1 Ų124.162%0.61562%0.624SS**  trans-64.7147.5-174.4-173.20000110.6K93 S97K93-S95 PolarHBondContact O-N 2.9Å; S95-S97 PolarHBondContact O-N 2.74Å
96R50Low56Low233 Ų233121.2 Ų121.288%0.87960%0.602SS**THydrogen-bonded Turntrans-65.16.7179-67.4174.3170.6153.6-7.4114N99R96-N99 WeakPolarHBondContact O-CB 3.25Å
97S47Very low58Low92 Ų92110.3 Ų110.364%0.64356%0.561SS**THydrogen-bonded Turntrans-98.6-25.2-170-159.60000114.7S95 N99S95-S97 PolarHBondContact O-N 2.74Å; S97-N99 PolarHBondContact O-N 3.26Å
98D47.9Very low60.3Low132 Ų132105 Ų10571%0.70653%0.527SS*.G310 helixtrans-76.3-7.4170.1-75-75.8000112.3N100D98-N100 PolarHBondContact O-N 3Å; D98-N100 VanDerWaalsContact O-N 3.1Å
99N53.3Low62.1Low44 Ų4497.3 Ų97.324%0.23551%0.507CS..G310 helixtrans-65.1-9176.9-15542000113.7R96 S97 E179 P180R96-N99 WeakPolarHBondContact O-CB 3.25Å; S97-N99 PolarHBondContact O-N 3.26Å; N99-E179 WeakPolarHBondContact OD1-CA 3.42Å; N99-P180 WeakPolarHBondContact OD1-CD 3.22Å
100N56.3Low64.5Low89 Ų8989.4 Ų89.448%0.47647%0.47SS..G310 helixtrans-106.333.3-175-152.793000112.8D98 R177D98-N100 PolarHBondContact O-N 3Å; D98-N100 VanDerWaalsContact O-N 3.1Å; N100-R177 PolarHBondContact ND2-NH2 2.98Å; N100-R177 VanDerWaalsContact ND2-NH2 3.11Å; N100-R177 PolarHBondContact O-NH1 2.8Å; N100-R177 PolarHBondContact OD1-NE 3.24Å
101K62.2Low66.7Low161 Ų16187.1 Ų87.170%0.745%0.446SS*.  trans-142.217.8174.9-66.3-170.2-179.8174.30114.5E154K101-E154 WeakPolarHBondContact CA-OE1 3.16Å
102S74.1Confident68.5Low28 Ų2880.3 Ų80.320%0.19643%0.425CS..  trans-90127.3172.148.30000110.2K104 A178S102-K104 PolarHBondContact O-N 3.39Å; S102-A178 PolarHBondContact OG-O 3.06Å
103N88.6Confident70.5Confident61 Ų6177.8 Ų77.833%0.32642%0.417SS..SBendtrans-75.533.9172.5-59.919000111.2T150 F151 E152 V157N103-T150 CarbonylContact O-C 3.46Å; N103-T150 WeakPolarHBondContact O-CA 3.28Å; N103-T150 WeakPolarHBondContact O-CG2 3.45Å; N103-F151 PolarHBondContact O-N 3.08Å; N103-E152 PolarHBondContact ND2-O 2.8Å; N103-V157 VanDerWaalsContact C-CG2 3.48Å
104K90.2Very high72.3Confident55 Ų5568.1 Ų68.124%0.23938%0.375CS..EExtended strand (participates in β ladder)trans-136.9129.9-170.9-163.8167.5-168127.60110.6S102 E131 F148 I149 T150 A178S102-K104 PolarHBondContact O-N 3.39Å; K104-E131 IonicContact NZ-OE2 2.61Å; K104-E131 PolarHBondContact NZ-OE2 3.07Å; K104-F148 HydrophobicContact CD-CB 4.43Å; K104-F148 VanDerWaalsContact CE-CB 3.43Å; K104-F148 HydrophobicContact CG-CB 4.36Å; K104-I149 CarbonylContact C-O 3.59Å; K104-I149 VanDerWaalsContact CA-O 3.29Å; K104-I149 WeakPolarHBondContact CA-O 3.11Å; K104-T150 WeakPolarHBondContact CE-OG1 3.49Å; K104-T150 PolarHBondContact NZ-OG1 2.83Å; K104-A178 HydrophobicContact CB-CB 4.03Å; K104-A178 HydrophobicContact CG-CB 3.92Å; K104-A178 VanDerWaalsContact O-CB 3.22Å; K104-A178 WeakPolarHBondContact O-CB 3.27Å; K104-A178 PolarHBondContact O-N 3.44Å
105I91.8Very high74.4Confident0 Ų065.6 Ų65.60%035%0.349CS..EExtended strand (participates in β ladder)trans-104147.8171.558.2171.2000111.4V107 F123 F148 I149 F151 V157 A160 V161 V175 K176I105-V107 HydrophobicContact CD1-CG2 3.61Å; I105-V107 HydrophobicContact CG1-CG2 3.77Å; I105-F123 HydrophobicContact CD1-CD1 4.02Å; I105-F123 HydrophobicContact CD1-CE1 3.83Å; I105-F123 HydrophobicContact CD1-CZ 4.29Å; I105-F148 CarbonylContact O-C 3.48Å; I105-F148 WeakPolarHBondContact O-CA 3.13Å; I105-I149 HydrophobicContact CD1-CB 4.14Å; I105-I149 HydrophobicContact CD1-CD1 4.5Å; I105-I149 HydrophobicContact CG1-CB 3.75Å; I105-I149 PolarHBondContact N-O 2.97Å; I105-I149 PolarHBondContact O-N 3.15Å; I105-F151 HydrophobicContact CD1-CE2 3.73Å; I105-F151 HydrophobicContact CD1-CZ 4.28Å; I105-F151 HydrophobicContact CG1-CE2 3.91Å; I105-F151 HydrophobicContact CG2-CE2 4.4Å; I105-V157 HydrophobicContact CG2-CB 4.28Å; I105-V157 HydrophobicContact CG2-CG1 3.79Å; I105-V157 HydrophobicContact CG2-CG2 4.19Å; I105-A160 HydrophobicContact CD1-CB 4.27Å; I105-V161 HydrophobicContact CG2-CG2 3.6Å; I105-V175 HydrophobicContact CB-CG1 4.1Å; I105-V175 HydrophobicContact CD1-CG1 3.75Å; I105-V175 HydrophobicContact CD1-CG2 4.37Å; I105-V175 HydrophobicContact CG2-CG1 4.1Å; I105-K176 CarbonylContact C-O 3.56Å; I105-K176 VanDerWaalsContact CA-O 3.25Å; I105-K176 WeakPolarHBondContact CA-O 3.45Å; I105-K176 WeakPolarHBondContact CB-O 3.29Å
106F91.9Very high76.6Confident54 Ų5465.8 Ų65.824%0.23734%0.341CS..EExtended strand (participates in β ladder)trans-85.1138.1158.3167.9-92.5000108.4F146 F148 V175 K176F106-F146 HydrophobicContact CD2-CD2 4.43Å; F106-F146 HydrophobicContact CE2-CB 3.74Å; F106-F146 AromaticContact CE2-CD2 3.69Å; F106-F146 HydrophobicContact CE2-CD2 3.69Å; F106-F146 HydrophobicContact CE2-CE2 4.46Å; F106-F146 AromaticContact CE2-CG 3.85Å; F106-F146 HydrophobicContact CE2-CG 3.85Å; F106-F146 HydrophobicContact CZ-CB 3.85Å; F106-F146 HydrophobicContact CZ-CG 4.29Å; F106-F148 HydrophobicContact CB-CD1 4.23Å; F106-F148 HydrophobicContact CB-CE1 4.17Å; F106-F148 HydrophobicContact CD2-CD1 4.39Å; F106-F148 AromaticContact CD2-CE1 3.87Å; F106-F148 HydrophobicContact CD2-CE1 3.87Å; F106-F148 HydrophobicContact CD2-CZ 4.2Å; F106-V175 WeakPolarHBondContact O-CA 3.49Å; F106-K176 HydrophobicContact CD1-CB 4.43Å; F106-K176 PolarHBondContact N-O 2.62Å; F106-K176 PolarHBondContact O-N 3.08Å; F106-K176 VanDerWaalsContact O-N 3.08Å
107V91.4Very high78.4Confident0 Ų059.5 Ų59.50%033%0.328CS..EExtended strand (participates in β ladder)trans-129.8112.1-178.1-172.90000107.9I105 I110 L119 F123 F146 G147 I149 V173 E174 V175I105-V107 HydrophobicContact CD1-CG2 3.61Å; I105-V107 HydrophobicContact CG1-CG2 3.77Å; V107-I110 HydrophobicContact CB-CD1 4.25Å; V107-I110 HydrophobicContact CG1-CD1 3.95Å; V107-I110 HydrophobicContact CG1-CG1 3.94Å; V107-I110 WeakPolarHBondContact O-CD1 3.36Å; V107-L119 HydrophobicContact CG1-CD2 4.25Å; V107-F123 HydrophobicContact CG1-CE2 4.14Å; V107-F123 HydrophobicContact CG1-CZ 4.28Å; V107-F123 HydrophobicContact CG2-CZ 4.5Å; V107-F146 CarbonylContact O-C 3.58Å; V107-F146 WeakPolarHBondContact O-CA 3.4Å; V107-F146 VanDerWaalsContact O-CB 3.3Å; V107-F146 WeakPolarHBondContact O-CB 3.25Å; V107-G147 PolarHBondContact N-O 2.84Å; V107-G147 PolarHBondContact O-N 2.88Å; V107-I149 HydrophobicContact CG2-CB 4.42Å; V107-I149 HydrophobicContact CG2-CD1 3.87Å; V107-I149 HydrophobicContact CG2-CG1 3.86Å; V107-V173 HydrophobicContact CG1-CG1 3.27Å; V107-E174 CarbonylContact C-O 3.56Å; V107-E174 WeakPolarHBondContact CA-O 3.38Å; V107-V175 HydrophobicContact CG1-CG2 4.32Å; V107-V175 HydrophobicContact CG2-CG2 4.34Å
108G90.6Very high80.4Confident5 Ų558.3 Ų58.35%0.05231%0.313CS..EExtended strand (participates in β ladder)trans-122.8159.9-174.900000113.2I110 G145 V173 E174G108-I110 VanDerWaalsContact C-N 3.32Å; G108-G145 CarbonylContact C-O 3.49Å; G108-V173 CarbonylContact O-C 3.45Å; G108-V173 VanDerWaalsContact O-CA 3.22Å; G108-V173 WeakPolarHBondContact O-CA 3.18Å; G108-V173 VanDerWaalsContact O-CG1 3.29Å; G108-V173 WeakPolarHBondContact O-CG1 3.34Å; G108-E174 PolarHBondContact N-O 3.02Å; G108-E174 PolarHBondContact O-N 3.37Å
109G87.7Confident82.4Confident45 Ų4552.1 Ų52.146%0.46428%0.279SS..SBendtrans79.112.3-175.500000114.6G145G109-G145 PolarHBondContact N-O 3.31Å
110I88.1Confident84.1Confident12 Ų1255.9 Ų55.96%0.06229%0.29CS..  trans-57.9129.4-177.3-55.2171.8000110.1V107 G108 C114 L119 M134 G145 V173V107-I110 HydrophobicContact CB-CD1 4.25Å; V107-I110 HydrophobicContact CG1-CD1 3.95Å; V107-I110 HydrophobicContact CG1-CG1 3.94Å; V107-I110 WeakPolarHBondContact O-CD1 3.36Å; G108-I110 VanDerWaalsContact C-N 3.32Å; I110-C114 HydrophobicContact CG2-CB 3.96Å; I110-L119 HydrophobicContact CD1-CD1 3.9Å; I110-L119 HydrophobicContact CD1-CD2 4.42Å; I110-L119 HydrophobicContact CG1-CD2 4.4Å; I110-L119 HydrophobicContact CG2-CD1 4.2Å; I110-L119 HydrophobicContact CG2-CD2 4.35Å; I110-M134 HydrophobicContact CG2-CE 4.37Å; I110-G145 PolarHBondContact N-O 2.96Å; I110-V173 HydrophobicContact CG1-CG1 4.22Å
111P83.5Confident85.7Confident6 Ų658.5 Ų58.54%0.03930%0.3CS..  trans-56.2147.3173.1-2026.4000112.7N113 C114 M169 K171P111-N113 PolarHBondContact O-N 3.48Å; P111-N113 VanDerWaalsContact O-N 3.15Å; P111-C114 HydrophobicContact CB-CB 3.74Å; P111-C114 HydrophobicContact CG-CB 3.74Å; P111-C114 PolarHBondContact O-N 3.1Å; P111-C114 VanDerWaalsContact O-N 3.07Å; P111-M169 HydrophobicContact CG-CB 4.2Å; P111-K171 HydrophobicContact CB-CD 4.22Å; P111-K171 HydrophobicContact CG-CB 4.1Å; P111-K171 HydrophobicContact CG-CD 4.09Å; P111-K171 HydrophobicContact CG-CG 4.16Å
112H81.6Confident87Confident135 Ų13553.3 Ų53.363%0.62528%0.276SS*.THydrogen-bonded Turntrans-66.2-13.8171.862.4-104.7000113.5P143H112-P143 HydrophobicContact CB-CG 4.49Å
113N82.1Confident87.7Confident113 Ų11352 Ų5260%0.60427%0.267SS*.THydrogen-bonded Turntrans-101.78.9176.8-16479.9000112.2P111 M169P111-N113 PolarHBondContact O-N 3.48Å; P111-N113 VanDerWaalsContact O-N 3.15Å; N113-M169 WeakPolarHBondContact O-CE 3.43Å
114C81.1Confident87.8Confident3 Ų356.5 Ų56.52%0.0228%0.283CS..  trans-114.6114.5179.2179.30000107.7I110 P111 M134 M169I110-C114 HydrophobicContact CG2-CB 3.96Å; P111-C114 HydrophobicContact CB-CB 3.74Å; P111-C114 HydrophobicContact CG-CB 3.74Å; P111-C114 PolarHBondContact O-N 3.1Å; P111-C114 VanDerWaalsContact O-N 3.07Å; C114-M134 WeakPolarHBondContact O-CE 3.45Å; C114-M169 HydrophobicContact CB-SD 3.77Å
115G82.6Confident87.7Confident21 Ų2159.7 Ų59.722%0.21630%0.297CS..  trans-98.8-164.8-178.800000112.8T117 E118 L119 M134G115-T117 VanDerWaalsContact C-N 3.31Å; G115-T117 PolarHBondContact O-N 2.83Å; G115-E118 VanDerWaalsContact CA-OE2 3.25Å; G115-E118 WeakPolarHBondContact CA-OE2 3.43Å; G115-E118 PolarHBondContact N-OE2 3.03Å; G115-L119 WeakPolarHBondContact O-CD1 3.42Å; G115-L119 VanDerWaalsContact O-CG 3.27Å; G115-L119 WeakPolarHBondContact O-CG 3.11Å; G115-L119 PolarHBondContact O-N 2.98Å; G115-M134 VanDerWaalsContact C-SD 3.5Å
116E87.4Confident87.4Confident93 Ų9361 Ų6144%0.43530%0.303SS..Hα-helixtrans-62.4-40.8179.4-161.8-163.4124.100111.6L119 R120 V132 M134E116-L119 PolarHBondContact O-N 2.82Å; E116-R120 VanDerWaalsContact O-CB 3.25Å; E116-R120 WeakPolarHBondContact O-CB 3.46Å; E116-R120 PolarHBondContact O-N 3.41Å; E116-V132 HydrophobicContact CB-CG1 4.49Å; E116-V132 HydrophobicContact CG-CB 3.52Å; E116-V132 HydrophobicContact CG-CG1 3.53Å; E116-V132 HydrophobicContact CG-CG2 4.27Å; E116-M134 HydrophobicContact CB-SD 4.39Å; E116-M134 PolarHBondContact N-SD 3.41Å; E116-M134 VanDerWaalsContact N-SD 3.39Å
117T88.3Confident87.2Confident100 Ų10059.4 Ų59.461%0.61330%0.302SS*.Hα-helixtrans-63.2-50.1-175-510000111.9G115 L119 R120 E121G115-T117 VanDerWaalsContact C-N 3.31Å; G115-T117 PolarHBondContact O-N 2.83Å; T117-L119 VanDerWaalsContact C-N 3.34Å; T117-L119 PolarHBondContact O-N 2.85Å; T117-R120 PolarHBondContact O-N 3.35Å; T117-E121 WeakPolarHBondContact O-CB 3.35Å; T117-E121 PolarHBondContact O-N 2.88Å
118E89Confident87.2Confident68 Ų6863 Ų6332%0.31832%0.324SS..Hα-helixtrans-68.4-35.8-177.6-58.488.1163.500111.5G115 Y122 M169G115-E118 VanDerWaalsContact CA-OE2 3.25Å; G115-E118 WeakPolarHBondContact CA-OE2 3.43Å; G115-E118 PolarHBondContact N-OE2 3.03Å; E118-Y122 WeakPolarHBondContact O-CB 3.31Å; E118-Y122 PolarHBondContact O-N 3.47Å; E118-M169 HydrophobicContact CG-CE 3.94Å
119L88.6Confident87.2Confident1 Ų163.3 Ų63.31%0.00532%0.324CS..Hα-helixtrans-63.2-51.2170.6-67.3168000110.3V107 I110 G115 E116 T117 E121 Y122 F123 V132 M134 I149 I168V107-L119 HydrophobicContact CG1-CD2 4.25Å; I110-L119 HydrophobicContact CD1-CD1 3.9Å; I110-L119 HydrophobicContact CD1-CD2 4.42Å; I110-L119 HydrophobicContact CG1-CD2 4.4Å; I110-L119 HydrophobicContact CG2-CD1 4.2Å; I110-L119 HydrophobicContact CG2-CD2 4.35Å; G115-L119 WeakPolarHBondContact O-CD1 3.42Å; G115-L119 VanDerWaalsContact O-CG 3.27Å; G115-L119 WeakPolarHBondContact O-CG 3.11Å; G115-L119 PolarHBondContact O-N 2.98Å; E116-L119 PolarHBondContact O-N 2.82Å; T117-L119 VanDerWaalsContact C-N 3.34Å; T117-L119 PolarHBondContact O-N 2.85Å; L119-E121 VanDerWaalsContact C-N 3.33Å; L119-E121 PolarHBondContact O-N 3.48Å; L119-Y122 PolarHBondContact O-N 3.39Å; L119-F123 HydrophobicContact CB-CD2 4.48Å; L119-F123 HydrophobicContact CD2-CE2 4.09Å; L119-F123 WeakPolarHBondContact O-CB 3.39Å; L119-F123 VanDerWaalsContact O-CD2 3.22Å; L119-F123 WeakPolarHBondContact O-CD2 3.22Å; L119-F123 PolarHBondContact O-N 2.82Å; L119-V132 HydrophobicContact CD1-CG1 4.49Å; L119-M134 HydrophobicContact CD1-CG 4.15Å; L119-M134 HydrophobicContact CD1-SD 4.08Å; L119-I149 HydrophobicContact CB-CD1 4.23Å; L119-I168 HydrophobicContact CD2-CD1 4.21Å
120R90Very high87.3Confident123 Ų12364.6 Ų64.646%0.46432%0.323SS..Hα-helixtrans-59.4-43.4-178.8-169.7175.2-171178.32.7111.8E116 T117 K124 V129 V132E116-R120 VanDerWaalsContact O-CB 3.25Å; E116-R120 WeakPolarHBondContact O-CB 3.46Å; E116-R120 PolarHBondContact O-N 3.41Å; T117-R120 PolarHBondContact O-N 3.35Å; R120-K124 VanDerWaalsContact O-CB 3.29Å; R120-K124 WeakPolarHBondContact O-CB 3.39Å; R120-K124 PolarHBondContact O-N 2.7Å; R120-V129 HydrophobicContact CG-CB 4.21Å; R120-V129 HydrophobicContact CG-CG1 4.06Å; R120-V132 HydrophobicContact CB-CG2 4.22Å; R120-V132 HydrophobicContact CG-CG2 4.48Å
121E90.1Very high87.3Confident145 Ų14568.2 Ų68.268%0.67834%0.34SS*.Hα-helixtrans-66.5-45.1176.6-175.6167.3-146.900112.1T117 L119 F123 K124T117-E121 WeakPolarHBondContact O-CB 3.35Å; T117-E121 PolarHBondContact O-N 2.88Å; L119-E121 VanDerWaalsContact C-N 3.33Å; L119-E121 PolarHBondContact O-N 3.48Å; E121-F123 PolarHBondContact O-N 2.81Å; E121-K124 WeakPolarHBondContact O-CB 3.11Å; E121-K124 PolarHBondContact O-N 2.85Å
122Y89.3Confident87.6Confident51 Ų5168.7 Ų68.720%0.234%0.343CS..Hα-helixtrans-64.4-40.7177.6-174.3-82.2000112.7E118 L119 K125 F126 H166 D167 I168E118-Y122 WeakPolarHBondContact O-CB 3.31Å; E118-Y122 PolarHBondContact O-N 3.47Å; L119-Y122 PolarHBondContact O-N 3.39Å; Y122-K125 VanDerWaalsContact CE1-NZ 3.33Å; Y122-K125 VanDerWaalsContact O-CD 3.24Å; Y122-K125 WeakPolarHBondContact O-CD 3.39Å; Y122-K125 WeakPolarHBondContact O-CE 3.43Å; Y122-K125 VanDerWaalsContact O-CG 3.26Å; Y122-K125 WeakPolarHBondContact O-CG 3.3Å; Y122-K125 PolarHBondContact OH-NZ 2.65Å; Y122-F126 HydrophobicContact CD1-CE2 4.41Å; Y122-F126 HydrophobicContact CE1-CE2 4.05Å; Y122-H166 HydrophobicContact CE1-CB 3.68Å; Y122-H166 AromaticContact CE1-CG 3.76Å; Y122-H166 AromaticContact CE1-ND1 3.55Å; Y122-H166 AromaticContact CZ-ND1 3.96Å; Y122-H166 WeakPolarHBondContact OH-CB 3.31Å; Y122-H166 PolarHBondContact OH-ND1 2.96Å; Y122-D167 WeakPolarHBondContact CE2-O 3.46Å; Y122-I168 HydrophobicContact CD1-CD1 3.65Å; Y122-I168 HydrophobicContact CD1-CG1 4.1Å; Y122-I168 HydrophobicContact CD2-CD1 4.18Å; Y122-I168 HydrophobicContact CD2-CG1 3.87Å; Y122-I168 HydrophobicContact CE1-CD1 3.91Å; Y122-I168 HydrophobicContact CE1-CG1 4.03Å; Y122-I168 HydrophobicContact CE2-CD1 4.37Å; Y122-I168 HydrophobicContact CE2-CG1 3.75Å; Y122-I168 HydrophobicContact CG-CD1 3.8Å; Y122-I168 HydrophobicContact CG-CG1 4.03Å
123F88.7Confident88Confident0 Ų064.6 Ų64.60%033%0.327CS..Hα-helixtrans-81.9-19.6-178.3-76.5-74.9000113.6I105 V107 L119 E121 K125 F126 V129 I149 F151 A160 I168 V175I105-F123 HydrophobicContact CD1-CD1 4.02Å; I105-F123 HydrophobicContact CD1-CE1 3.83Å; I105-F123 HydrophobicContact CD1-CZ 4.29Å; V107-F123 HydrophobicContact CG1-CE2 4.14Å; V107-F123 HydrophobicContact CG1-CZ 4.28Å; V107-F123 HydrophobicContact CG2-CZ 4.5Å; L119-F123 HydrophobicContact CB-CD2 4.48Å; L119-F123 HydrophobicContact CD2-CE2 4.09Å; L119-F123 WeakPolarHBondContact O-CB 3.39Å; L119-F123 VanDerWaalsContact O-CD2 3.22Å; L119-F123 WeakPolarHBondContact O-CD2 3.22Å; L119-F123 PolarHBondContact O-N 2.82Å; E121-F123 PolarHBondContact O-N 2.81Å; F123-K125 PolarHBondContact O-N 3Å; F123-F126 AromaticContact CD1-CD2 3.78Å; F123-F126 HydrophobicContact CD1-CD2 3.78Å; F123-F126 HydrophobicContact CD1-CE2 4.04Å; F123-F126 HydrophobicContact CE1-CD2 4.41Å; F123-F126 HydrophobicContact CE1-CE2 4.29Å; F123-F126 PolarHBondContact O-N 2.83Å; F123-V129 HydrophobicContact CB-CG2 3.96Å; F123-I149 HydrophobicContact CB-CD1 4.25Å; F123-I149 HydrophobicContact CD2-CD1 3.24Å; F123-I149 HydrophobicContact CE2-CD1 3.72Å; F123-I149 HydrophobicContact CG-CD1 3.8Å; F123-F151 HydrophobicContact CB-CE1 4.32Å; F123-F151 HydrophobicContact CB-CZ 4.02Å; F123-F151 HydrophobicContact CD1-CZ 4.12Å; F123-F151 HydrophobicContact CG-CZ 4.41Å; F123-A160 HydrophobicContact CD1-CB 4.35Å; F123-A160 HydrophobicContact CE1-CB 4.28Å; F123-I168 HydrophobicContact CE2-CD1 4.03Å; F123-I168 HydrophobicContact CZ-CD1 4.4Å; F123-V175 HydrophobicContact CE1-CG2 3.92Å; F123-V175 HydrophobicContact CZ-CG2 3.64Å
124K89.3Confident88.2Confident156 Ų15660.3 Ų60.368%0.67830%0.303SS*.THydrogen-bonded Turntrans-53.2-26.8173-174.9179.1177.7-173.90113.8R120 E121 F126 G127R120-K124 VanDerWaalsContact O-CB 3.29Å; R120-K124 WeakPolarHBondContact O-CB 3.39Å; R120-K124 PolarHBondContact O-N 2.7Å; E121-K124 WeakPolarHBondContact O-CB 3.11Å; E121-K124 PolarHBondContact O-N 2.85Å; K124-F126 VanDerWaalsContact C-N 3.29Å; K124-F126 PolarHBondContact O-N 3.03Å; K124-G127 WeakPolarHBondContact CA-O 3.25Å; K124-G127 PolarHBondContact O-N 2.9Å
125K88.1Confident88.4Confident123 Ų12362.3 Ų62.354%0.53531%0.313SS..THydrogen-bonded Turntrans-72.2-16.7177.379-162.7173.4-173.50114.6Y122 F123Y122-K125 VanDerWaalsContact CE1-NZ 3.33Å; Y122-K125 VanDerWaalsContact O-CD 3.24Å; Y122-K125 WeakPolarHBondContact O-CD 3.39Å; Y122-K125 WeakPolarHBondContact O-CE 3.43Å; Y122-K125 VanDerWaalsContact O-CG 3.26Å; Y122-K125 WeakPolarHBondContact O-CG 3.3Å; Y122-K125 PolarHBondContact OH-NZ 2.65Å; F123-K125 PolarHBondContact O-N 3Å
126F86.3Confident88.3Confident28 Ų2866.9 Ų66.912%0.12333%0.325CS..THydrogen-bonded Turntrans-95.1-18.6173.8-56.8-69.5000112.2Y122 F123 K124 S156 Q159 A160 M163 H166Y122-F126 HydrophobicContact CD1-CE2 4.41Å; Y122-F126 HydrophobicContact CE1-CE2 4.05Å; F123-F126 AromaticContact CD1-CD2 3.78Å; F123-F126 HydrophobicContact CD1-CD2 3.78Å; F123-F126 HydrophobicContact CD1-CE2 4.04Å; F123-F126 HydrophobicContact CE1-CD2 4.41Å; F123-F126 HydrophobicContact CE1-CE2 4.29Å; F123-F126 PolarHBondContact O-N 2.83Å; K124-F126 VanDerWaalsContact C-N 3.29Å; K124-F126 PolarHBondContact O-N 3.03Å; F126-S156 WeakPolarHBondContact O-CA 3.39Å; F126-S156 VanDerWaalsContact O-CB 3.29Å; F126-S156 WeakPolarHBondContact O-CB 3.4Å; F126-S156 PolarHBondContact O-OG 3.43Å; F126-Q159 HydrophobicContact CD1-CB 4.21Å; F126-A160 HydrophobicContact CD2-CB 4.33Å; F126-A160 HydrophobicContact CG-CB 4.41Å; F126-M163 HydrophobicContact CE1-SD 3.71Å; F126-M163 HydrophobicContact CZ-SD 3.69Å; F126-H166 AromaticContact CE2-CE1 3.6Å; F126-H166 AromaticContact CE2-ND1 3.94Å; F126-H166 AromaticContact CZ-CE1 3.37Å; F126-H166 WeakPolarHBondContact CZ-CE1 3.46Å; F126-H166 AromaticContact CZ-ND1 3.76Å
127G87.5Confident87.9Confident20 Ų2064.5 Ų64.521%0.20632%0.315CS..SBendtrans156.1-175174.300000112.8K124 V129 S156K124-G127 WeakPolarHBondContact CA-O 3.25Å; K124-G127 PolarHBondContact O-N 2.9Å; G127-V129 PolarHBondContact O-N 3Å; G127-S156 WeakPolarHBondContact CA-OG 3.45Å
128V90.8Very high87Confident76 Ų7663.7 Ų63.746%0.46132%0.319SS..  trans-72.2118.8-175.2-175.10000110.8F151 E152V128-F151 CarbonylContact O-C 3.57Å; V128-F151 VanDerWaalsContact O-CA 3.27Å; V128-F151 WeakPolarHBondContact O-CA 3.22Å; V128-E152 HydrophobicContact CB-CB 3.95Å; V128-E152 WeakPolarHBondContact CB-OE2 3.29Å; V128-E152 HydrophobicContact CG1-CB 4.37Å; V128-E152 WeakPolarHBondContact CG1-OE2 3.15Å; V128-E152 PolarHBondContact O-N 3.36Å
129V92.3Very high86.2Confident10 Ų1068.2 Ų68.26%0.06134%0.34CS..EExtended strand (participates in β ladder)trans-87.2116.4174.8173.50000109.9R120 F123 G127 V132 I149 F151R120-V129 HydrophobicContact CG-CB 4.21Å; R120-V129 HydrophobicContact CG-CG1 4.06Å; F123-V129 HydrophobicContact CB-CG2 3.96Å; G127-V129 PolarHBondContact O-N 3Å; V129-V132 HydrophobicContact CG1-CG2 3.52Å; V129-I149 HydrophobicContact CB-CG2 4.4Å; V129-I149 HydrophobicContact CG1-CG2 3.63Å; V129-I149 HydrophobicContact CG2-CG2 3.95Å; V129-F151 HydrophobicContact CG2-CD1 3.93Å; V129-F151 HydrophobicContact CG2-CE1 3.63Å; V129-F151 HydrophobicContact CG2-CZ 4.31Å
130T89.4Confident85.4Confident72 Ų7275 Ų7544%0.44237%0.369SS..EExtended strand (participates in β ladder)trans-90.4-33.4-177.852.10000112.9T150 F151 E152T130-T150 PolarHBondContact N-O 2.81Å; T130-T150 VanDerWaalsContact OG1-C 3.32Å; T130-T150 PolarHBondContact OG1-O 2.88Å; T130-F151 PolarHBondContact OG1-O 3.36Å; T130-E152 HydrophobicContact CG2-CB 3.82Å; T130-E152 HydrophobicContact CG2-CG 4.47Å
131E87.6Confident84.3Confident89 Ų8976.1 Ų76.142%0.41638%0.38SS..EExtended strand (participates in β ladder)trans-150.9139.8-177.7-173.8-158.7-14000110.1K104 V133 I149 T150K104-E131 IonicContact NZ-OE2 2.61Å; K104-E131 PolarHBondContact NZ-OE2 3.07Å; E131-V133 VanDerWaalsContact CD-CG2 3.48Å; E131-V133 HydrophobicContact CG-CG2 3.74Å; E131-I149 CarbonylContact O-C 3.59Å; E131-I149 WeakPolarHBondContact O-CA 3.32Å; E131-T150 PolarHBondContact N-O 3.27Å; E131-T150 PolarHBondContact O-N 3.38Å; E131-T150 PolarHBondContact OE2-OG1 2.77Å
132V90.1Very high83.4Confident16 Ų1677 Ų7710%0.09738%0.377CS..EExtended strand (participates in β ladder)trans-125.2129.8168.8-179.60000108.1E116 L119 R120 V129 I149E116-V132 HydrophobicContact CB-CG1 4.49Å; E116-V132 HydrophobicContact CG-CB 3.52Å; E116-V132 HydrophobicContact CG-CG1 3.53Å; E116-V132 HydrophobicContact CG-CG2 4.27Å; L119-V132 HydrophobicContact CD1-CG1 4.49Å; R120-V132 HydrophobicContact CB-CG2 4.22Å; R120-V132 HydrophobicContact CG-CG2 4.48Å; V129-V132 HydrophobicContact CG1-CG2 3.52Å; V132-I149 HydrophobicContact CG1-CG1 4.17Å; V132-I149 HydrophobicContact CG2-CG1 4.19Å; V132-I149 HydrophobicContact CG2-CG2 4.31Å
133V88.6Confident82.7Confident48 Ų4876.4 Ų76.429%0.29138%0.38SS..EExtended strand (participates in β ladder)trans-13094.4-177.1-173.70000109.2E131 I135 G147 F148E131-V133 VanDerWaalsContact CD-CG2 3.48Å; E131-V133 HydrophobicContact CG-CG2 3.74Å; V133-I135 HydrophobicContact CG1-CD1 4.15Å; V133-G147 CarbonylContact O-C 3.48Å; V133-G147 WeakPolarHBondContact O-CA 3.3Å; V133-F148 PolarHBondContact N-O 3.41Å; V133-F148 PolarHBondContact O-N 2.99Å
134M87.1Confident82.1Confident23 Ų2384.1 Ų84.111%0.11341%0.409CS..EExtended strand (participates in β ladder)trans-77136.5172.2-66.6177.772.300110.4I110 C114 G115 E116 L119 Y136 P143I110-M134 HydrophobicContact CG2-CE 4.37Å; C114-M134 WeakPolarHBondContact O-CE 3.45Å; G115-M134 VanDerWaalsContact C-SD 3.5Å; E116-M134 HydrophobicContact CB-SD 4.39Å; E116-M134 PolarHBondContact N-SD 3.41Å; E116-M134 VanDerWaalsContact N-SD 3.39Å; L119-M134 HydrophobicContact CD1-CG 4.15Å; L119-M134 HydrophobicContact CD1-SD 4.08Å; M134-Y136 HydrophobicContact CB-CD2 4.46Å; M134-Y136 HydrophobicContact CB-CE2 3.65Å; M134-Y136 WeakPolarHBondContact O-CD2 3.45Å; M134-P143 HydrophobicContact CE-CB 4.33Å
135I84.8Confident81.8Confident45 Ų4577.8 Ų77.823%0.23139%0.388CS..EExtended strand (participates in β ladder)trans-97.9117.1178.8-58.4-57.4000109.4V133 R144 F146 F148V133-I135 HydrophobicContact CG1-CD1 4.15Å; I135-R144 WeakPolarHBondContact O-CB 3.43Å; I135-R144 PolarHBondContact O-N 3.41Å; I135-F146 HydrophobicContact CB-CD2 4.06Å; I135-F146 HydrophobicContact CB-CE2 3.68Å; I135-F146 HydrophobicContact CB-CZ 4.11Å; I135-F146 HydrophobicContact CG1-CD2 4.04Å; I135-F146 HydrophobicContact CG1-CE2 3.64Å; I135-F146 HydrophobicContact CG1-CZ 4.47Å; I135-F146 HydrophobicContact CG2-CE2 3.94Å; I135-F146 HydrophobicContact CG2-CZ 3.91Å; I135-F146 PolarHBondContact N-O 2.86Å; I135-F148 HydrophobicContact CD1-CE2 4.38Å; I135-F148 HydrophobicContact CG1-CD2 4.26Å; I135-F148 HydrophobicContact CG1-CE2 4Å
136Y81.8Confident81.9Confident117 Ų11774.1 Ų74.146%0.45937%0.372SS..EExtended strand (participates in β ladder)trans-95.8149.2177.2-61.6-91.5000110.9M134 A138 P143M134-Y136 HydrophobicContact CB-CD2 4.46Å; M134-Y136 HydrophobicContact CB-CE2 3.65Å; M134-Y136 WeakPolarHBondContact O-CD2 3.45Å; Y136-A138 PolarHBondContact O-N 3.07Å; Y136-P143 HydrophobicContact CD1-CB 4.03Å; Y136-P143 HydrophobicContact CE1-CB 3.86Å; Y136-P143 HydrophobicContact CE1-CG 4.48Å
137D77.9Confident82.1Confident43 Ų4372.9 Ų72.923%0.2337%0.367CS..EExtended strand (participates in β ladder)trans-75.2109.9167.2-176.6-1.5000108.9E139 K140 Q141 R142D137-E139 PolarHBondContact O-N 3.41Å; D137-E139 PolarHBondContact OD1-N 3.01Å; D137-K140 PolarHBondContact O-N 3.02Å; D137-Q141 WeakPolarHBondContact O-CA 3.14Å; D137-Q141 PolarHBondContact O-N 2.89Å; D137-R142 WeakPolarHBondContact CB-O 3.47Å; D137-R142 PolarHBondContact N-O 3.31Å
138A69.4Low82.4Confident84 Ų8473.6 Ų73.669%0.69437%0.365SS*.THydrogen-bonded Turntrans-61.4-31.2-175.600000113Y136 K140 Q141Y136-A138 PolarHBondContact O-N 3.07Å; A138-K140 VanDerWaalsContact C-N 3.31Å; A138-K140 PolarHBondContact O-N 3.47Å; A138-Q141 PolarHBondContact O-NE2 3.26Å
139E72.3Confident82.4Confident162 Ų16270 Ų7076%0.75734%0.343SS*.THydrogen-bonded Turntrans-72.2-25.2-179.6-62-175.7164.200112.9D137D137-E139 PolarHBondContact O-N 3.41Å; D137-E139 PolarHBondContact OD1-N 3.01Å
140K71.9Confident82.4Confident143 Ų14370.9 Ų70.962%0.62235%0.348SS*.THydrogen-bonded Turntrans-131.10.9-166.3-67.6168.1-1681440114D137 A138 R142D137-K140 PolarHBondContact O-N 3.02Å; A138-K140 VanDerWaalsContact C-N 3.31Å; A138-K140 PolarHBondContact O-N 3.47Å; K140-R142 HydrophobicContact CB-CB 4.37Å; K140-R142 PolarHBondContact O-N 3.42Å
141Q67.1Low82.5Confident148 Ų14867.6 Ų67.669%0.69233%0.328SS*.THydrogen-bonded Turntrans4924.7-174.2-63.2-61.8-57.400114D137 A138D137-Q141 WeakPolarHBondContact O-CA 3.14Å; D137-Q141 PolarHBondContact O-N 2.89Å; A138-Q141 PolarHBondContact O-NE2 3.26Å
142R71.5Confident82.7Confident162 Ų16269 Ų6961%0.61133%0.334SS*.EExtended strand (participates in β ladder)trans-98.3134-174.6-166.7176.9-170.8174.15.6109.6D137 K140 R144D137-R142 WeakPolarHBondContact CB-O 3.47Å; D137-R142 PolarHBondContact N-O 3.31Å; K140-R142 HydrophobicContact CB-CB 4.37Å; K140-R142 PolarHBondContact O-N 3.42Å; R142-R144 PolarHBondContact O-N 3.35Å
143P74.8Confident82.6Confident39 Ų3972.6 Ų72.625%0.25335%0.353SS..EExtended strand (participates in β ladder)trans-57.6128.8172.423.4-33.2000109.4H112 M134 Y136 G145H112-P143 HydrophobicContact CB-CG 4.49Å; M134-P143 HydrophobicContact CE-CB 4.33Å; Y136-P143 HydrophobicContact CD1-CB 4.03Å; Y136-P143 HydrophobicContact CE1-CB 3.86Å; Y136-P143 HydrophobicContact CE1-CG 4.48Å; P143-G145 PolarHBondContact O-N 3.25Å
144R76.5Confident82.5Confident163 Ų16372.9 Ų72.962%0.61535%0.351SS*.EExtended strand (participates in β ladder)trans-76.814.7-173.3-159.5172.4165.3160.9-2.9113I135 R142 F146I135-R144 WeakPolarHBondContact O-CB 3.43Å; I135-R144 PolarHBondContact O-N 3.41Å; R142-R144 PolarHBondContact O-N 3.35Å; R144-F146 HydrophobicContact CB-CD1 4.16Å; R144-F146 HydrophobicContact CB-CE1 3.98Å; R144-F146 HydrophobicContact CG-CD1 4.13Å; R144-F146 HydrophobicContact CG-CE1 3.62Å; R144-F146 HydrophobicContact CG-CZ 4.45Å; R144-F146 WeakPolarHBondContact O-CD1 3.22Å; R144-F146 PolarHBondContact O-N 2.84Å
145G83Confident82.5Confident23 Ų2378 Ų7824%0.23738%0.375CS..EExtended strand (participates in β ladder)trans71.59.2-17600000114.5G108 G109 I110 P143G108-G145 CarbonylContact C-O 3.49Å; G109-G145 PolarHBondContact N-O 3.31Å; I110-G145 PolarHBondContact N-O 2.96Å; P143-G145 PolarHBondContact O-N 3.25Å
146F89.4Confident82.8Confident45 Ų4576.1 Ų76.120%0.19737%0.366CS..EExtended strand (participates in β ladder)trans-147.3160.4176.771.9-95.8000113.6F106 V107 I135 R144 F148F106-F146 HydrophobicContact CD2-CD2 4.43Å; F106-F146 HydrophobicContact CE2-CB 3.74Å; F106-F146 AromaticContact CE2-CD2 3.69Å; F106-F146 HydrophobicContact CE2-CD2 3.69Å; F106-F146 HydrophobicContact CE2-CE2 4.46Å; F106-F146 AromaticContact CE2-CG 3.85Å; F106-F146 HydrophobicContact CE2-CG 3.85Å; F106-F146 HydrophobicContact CZ-CB 3.85Å; F106-F146 HydrophobicContact CZ-CG 4.29Å; V107-F146 CarbonylContact O-C 3.58Å; V107-F146 WeakPolarHBondContact O-CA 3.4Å; V107-F146 VanDerWaalsContact O-CB 3.3Å; V107-F146 WeakPolarHBondContact O-CB 3.25Å; I135-F146 HydrophobicContact CB-CD2 4.06Å; I135-F146 HydrophobicContact CB-CE2 3.68Å; I135-F146 HydrophobicContact CB-CZ 4.11Å; I135-F146 HydrophobicContact CG1-CD2 4.04Å; I135-F146 HydrophobicContact CG1-CE2 3.64Å; I135-F146 HydrophobicContact CG1-CZ 4.47Å; I135-F146 HydrophobicContact CG2-CE2 3.94Å; I135-F146 HydrophobicContact CG2-CZ 3.91Å; I135-F146 PolarHBondContact N-O 2.86Å; R144-F146 HydrophobicContact CB-CD1 4.16Å; R144-F146 HydrophobicContact CB-CE1 3.98Å; R144-F146 HydrophobicContact CG-CD1 4.13Å; R144-F146 HydrophobicContact CG-CE1 3.62Å; R144-F146 HydrophobicContact CG-CZ 4.45Å; R144-F146 WeakPolarHBondContact O-CD1 3.22Å; R144-F146 PolarHBondContact O-N 2.84Å; F146-F148 HydrophobicContact CE2-CE2 4.39Å
147G91Very high83.1Confident2 Ų270.6 Ų70.62%0.02134%0.344CS..EExtended strand (participates in β ladder)trans-155.5-171.7174.400000111.2V107 V133V107-G147 PolarHBondContact N-O 2.84Å; V107-G147 PolarHBondContact O-N 2.88Å; V133-G147 CarbonylContact O-C 3.48Å; V133-G147 WeakPolarHBondContact O-CA 3.3Å
148F92.5Very high83.6Confident36 Ų3671.2 Ų71.216%0.15835%0.347CS..EExtended strand (participates in β ladder)trans-129.3146.5173.4-56.6-90.9000109.8K104 I105 F106 V133 I135 F146 A178K104-F148 HydrophobicContact CD-CB 4.43Å; K104-F148 VanDerWaalsContact CE-CB 3.43Å; K104-F148 HydrophobicContact CG-CB 4.36Å; I105-F148 CarbonylContact O-C 3.48Å; I105-F148 WeakPolarHBondContact O-CA 3.13Å; F106-F148 HydrophobicContact CB-CD1 4.23Å; F106-F148 HydrophobicContact CB-CE1 4.17Å; F106-F148 HydrophobicContact CD2-CD1 4.39Å; F106-F148 AromaticContact CD2-CE1 3.87Å; F106-F148 HydrophobicContact CD2-CE1 3.87Å; F106-F148 HydrophobicContact CD2-CZ 4.2Å; V133-F148 PolarHBondContact N-O 3.41Å; V133-F148 PolarHBondContact O-N 2.99Å; I135-F148 HydrophobicContact CD1-CE2 4.38Å; I135-F148 HydrophobicContact CG1-CD2 4.26Å; I135-F148 HydrophobicContact CG1-CE2 4Å; F146-F148 HydrophobicContact CE2-CE2 4.39Å; F148-A178 HydrophobicContact CD1-CB 3.93Å; F148-A178 HydrophobicContact CE1-CB 4.31Å
149I91.9Very high84.5Confident1 Ų172.6 Ų72.61%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-125.1126.1174.9-59.9-178.1000108K104 I105 V107 L119 F123 V129 E131 V132 F151K104-I149 CarbonylContact C-O 3.59Å; K104-I149 VanDerWaalsContact CA-O 3.29Å; K104-I149 WeakPolarHBondContact CA-O 3.11Å; I105-I149 HydrophobicContact CD1-CB 4.14Å; I105-I149 HydrophobicContact CD1-CD1 4.5Å; I105-I149 HydrophobicContact CG1-CB 3.75Å; I105-I149 PolarHBondContact N-O 2.97Å; I105-I149 PolarHBondContact O-N 3.15Å; V107-I149 HydrophobicContact CG2-CB 4.42Å; V107-I149 HydrophobicContact CG2-CD1 3.87Å; V107-I149 HydrophobicContact CG2-CG1 3.86Å; L119-I149 HydrophobicContact CB-CD1 4.23Å; F123-I149 HydrophobicContact CB-CD1 4.25Å; F123-I149 HydrophobicContact CD2-CD1 3.24Å; F123-I149 HydrophobicContact CE2-CD1 3.72Å; F123-I149 HydrophobicContact CG-CD1 3.8Å; V129-I149 HydrophobicContact CB-CG2 4.4Å; V129-I149 HydrophobicContact CG1-CG2 3.63Å; V129-I149 HydrophobicContact CG2-CG2 3.95Å; E131-I149 CarbonylContact O-C 3.59Å; E131-I149 WeakPolarHBondContact O-CA 3.32Å; V132-I149 HydrophobicContact CG1-CG1 4.17Å; V132-I149 HydrophobicContact CG2-CG1 4.19Å; V132-I149 HydrophobicContact CG2-CG2 4.31Å; I149-F151 HydrophobicContact CG2-CD2 4.36Å; I149-F151 HydrophobicContact CG2-CE2 4.08Å; I149-F151 HydrophobicContact CG2-CZ 4.31Å
150T90.8Very high85.3Confident27 Ų2764.9 Ų64.917%0.16630%0.303CS..EExtended strand (participates in β ladder)trans-97.9132.5171.2-43.90000108.2N103 K104 T130 E131N103-T150 CarbonylContact O-C 3.46Å; N103-T150 WeakPolarHBondContact O-CA 3.28Å; N103-T150 WeakPolarHBondContact O-CG2 3.45Å; K104-T150 WeakPolarHBondContact CE-OG1 3.49Å; K104-T150 PolarHBondContact NZ-OG1 2.83Å; T130-T150 PolarHBondContact N-O 2.81Å; T130-T150 VanDerWaalsContact OG1-C 3.32Å; T130-T150 PolarHBondContact OG1-O 2.88Å; E131-T150 PolarHBondContact N-O 3.27Å; E131-T150 PolarHBondContact O-N 3.38Å; E131-T150 PolarHBondContact OE2-OG1 2.77Å
151F92.8Very high86.1Confident4 Ų459 Ų592%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-102.1167.6173.9-71.3-89.7000110.8N103 I105 F123 V128 V129 T130 I149 V157N103-F151 PolarHBondContact O-N 3.08Å; I105-F151 HydrophobicContact CD1-CE2 3.73Å; I105-F151 HydrophobicContact CD1-CZ 4.28Å; I105-F151 HydrophobicContact CG1-CE2 3.91Å; I105-F151 HydrophobicContact CG2-CE2 4.4Å; F123-F151 HydrophobicContact CB-CE1 4.32Å; F123-F151 HydrophobicContact CB-CZ 4.02Å; F123-F151 HydrophobicContact CD1-CZ 4.12Å; F123-F151 HydrophobicContact CG-CZ 4.41Å; V128-F151 CarbonylContact O-C 3.57Å; V128-F151 VanDerWaalsContact O-CA 3.27Å; V128-F151 WeakPolarHBondContact O-CA 3.22Å; V129-F151 HydrophobicContact CG2-CD1 3.93Å; V129-F151 HydrophobicContact CG2-CE1 3.63Å; V129-F151 HydrophobicContact CG2-CZ 4.31Å; T130-F151 PolarHBondContact OG1-O 3.36Å; I149-F151 HydrophobicContact CG2-CD2 4.36Å; I149-F151 HydrophobicContact CG2-CE2 4.08Å; I149-F151 HydrophobicContact CG2-CZ 4.31Å; F151-V157 HydrophobicContact CB-CG2 4.31Å; F151-V157 HydrophobicContact CD2-CG2 3.61Å; F151-V157 HydrophobicContact CE2-CG2 4.33Å; F151-V157 HydrophobicContact CG-CG2 4.32Å
152E91.1Very high87Confident117 Ų11758.2 Ų58.255%0.54728%0.28SS..SBendtrans-73.6-55.6166.5-166.1163.1-17500110.1N103 V128 T130N103-E152 PolarHBondContact ND2-O 2.8Å; V128-E152 HydrophobicContact CB-CB 3.95Å; V128-E152 WeakPolarHBondContact CB-OE2 3.29Å; V128-E152 HydrophobicContact CG1-CB 4.37Å; V128-E152 WeakPolarHBondContact CG1-OE2 3.15Å; V128-E152 PolarHBondContact O-N 3.36Å; T130-E152 HydrophobicContact CG2-CB 3.82Å; T130-E152 HydrophobicContact CG2-CG 4.47Å
153D89.1Confident87.5Confident92 Ų9255.3 Ų55.349%0.49227%0.274SS..  trans-95.4143.2-179.1-69.7-66.3000114.4Q155 S156D153-Q155 VanDerWaalsContact C-N 3.31Å; D153-Q155 PolarHBondContact O-N 2.85Å; D153-S156 WeakPolarHBondContact O-CB 3.23Å; D153-S156 PolarHBondContact O-N 3.07Å; D153-S156 PolarHBondContact O-OG 3.49Å
154E86.3Confident87.8Confident54 Ų5457.8 Ų57.825%0.25228%0.283SS..Hα-helixtrans-66.4-31171.5-170.3174.7-174.100112.6K101 S156 V157 D158 R177K101-E154 WeakPolarHBondContact CA-OE1 3.16Å; E154-S156 PolarHBondContact O-N 3.22Å; E154-V157 WeakPolarHBondContact O-CA 3.12Å; E154-V157 VanDerWaalsContact O-CB 3.29Å; E154-V157 WeakPolarHBondContact O-CB 3.25Å; E154-V157 PolarHBondContact O-N 2.84Å; E154-D158 PolarHBondContact O-N 3.04Å; E154-D158 VanDerWaalsContact O-N 3.07Å; E154-R177 IonicContact OE1-CZ 2.83Å; E154-R177 VanDerWaalsContact OE1-CZ 3.24Å; E154-R177 IonicContact OE1-NH1 2.76Å; E154-R177 PolarHBondContact OE1-NH1 2.92Å; E154-R177 IonicContact OE1-NH2 3.96Å; E154-R177 PolarHBondContact OE1-NH2 3.19Å
155Q87.6Confident88.4Confident132 Ų13255.2 Ų55.262%0.61728%0.276SS*.Hα-helixtrans-60.5-33.7178.1-64.8-62.2-77.200112.4D153 V157 D158 Q159D153-Q155 VanDerWaalsContact C-N 3.31Å; D153-Q155 PolarHBondContact O-N 2.85Å; Q155-V157 VanDerWaalsContact C-N 3.3Å; Q155-V157 PolarHBondContact O-N 2.84Å; Q155-D158 PolarHBondContact O-N 3.23Å; Q155-Q159 WeakPolarHBondContact O-CG 3.46Å; Q155-Q159 PolarHBondContact O-N 3.31Å
156S89.7Confident88.6Confident5 Ų554.2 Ų54.24%0.03527%0.265CS..Hα-helixtrans-63.1-37.3173.8-37.20000112.2F126 G127 D153 E154 A160F126-S156 WeakPolarHBondContact O-CA 3.39Å; F126-S156 VanDerWaalsContact O-CB 3.29Å; F126-S156 WeakPolarHBondContact O-CB 3.4Å; F126-S156 PolarHBondContact O-OG 3.43Å; G127-S156 WeakPolarHBondContact CA-OG 3.45Å; D153-S156 WeakPolarHBondContact O-CB 3.23Å; D153-S156 PolarHBondContact O-N 3.07Å; D153-S156 PolarHBondContact O-OG 3.49Å; E154-S156 PolarHBondContact O-N 3.22Å; S156-A160 WeakPolarHBondContact O-CB 3.38Å; S156-A160 PolarHBondContact O-N 3.11Å
157V88.8Confident88.5Confident0 Ų056.3 Ų56.30%028%0.278CS..Hα-helixtrans-67.7-46.5176.41690000110.6N103 I105 F151 E154 Q155 Q159 A160 V161 R177N103-V157 VanDerWaalsContact C-CG2 3.48Å; I105-V157 HydrophobicContact CG2-CB 4.28Å; I105-V157 HydrophobicContact CG2-CG1 3.79Å; I105-V157 HydrophobicContact CG2-CG2 4.19Å; F151-V157 HydrophobicContact CB-CG2 4.31Å; F151-V157 HydrophobicContact CD2-CG2 3.61Å; F151-V157 HydrophobicContact CE2-CG2 4.33Å; F151-V157 HydrophobicContact CG-CG2 4.32Å; E154-V157 WeakPolarHBondContact O-CA 3.12Å; E154-V157 VanDerWaalsContact O-CB 3.29Å; E154-V157 WeakPolarHBondContact O-CB 3.25Å; E154-V157 PolarHBondContact O-N 2.84Å; Q155-V157 VanDerWaalsContact C-N 3.3Å; Q155-V157 PolarHBondContact O-N 2.84Å; V157-Q159 PolarHBondContact O-N 2.83Å; V157-A160 PolarHBondContact O-N 3.2Å; V157-V161 HydrophobicContact CG1-CG2 4.26Å; V157-V161 WeakPolarHBondContact O-CB 3.48Å; V157-V161 WeakPolarHBondContact O-CG2 3.43Å; V157-V161 PolarHBondContact O-N 2.64Å; V157-R177 HydrophobicContact CG1-CG 3.74Å
158D88.6Confident88.2Confident56 Ų5656.7 Ų56.730%0.29928%0.28SS..Hα-helixtrans-64.2-39.9178-77.9-42.9000112.3E154 Q155 V161 N162 R177E154-D158 PolarHBondContact O-N 3.04Å; E154-D158 VanDerWaalsContact O-N 3.07Å; Q155-D158 PolarHBondContact O-N 3.23Å; D158-V161 PolarHBondContact O-N 3.38Å; D158-N162 WeakPolarHBondContact O-CB 3.21Å; D158-N162 PolarHBondContact O-N 3.24Å; D158-R177 IonicContact OD1-CZ 3.24Å; D158-R177 VanDerWaalsContact OD1-CZ 3.29Å; D158-R177 IonicContact OD1-NE 2.77Å; D158-R177 PolarHBondContact OD1-NE 2.97Å; D158-R177 VanDerWaalsContact OD1-NE 3.14Å; D158-R177 IonicContact OD1-NH2 3.28Å; D158-R177 PolarHBondContact OD1-NH2 3.47Å; D158-R177 IonicContact OD2-CZ 2.73Å; D158-R177 IonicContact OD2-NH2 2.74Å; D158-R177 PolarHBondContact OD2-NH2 3.16Å
159Q88.4Confident87.5Confident113 Ų11359.7 Ų59.753%0.52830%0.295SS..Hα-helixtrans-65.6-43.9176-71.5-167.110.900112.9F126 Q155 V157F126-Q159 HydrophobicContact CD1-CB 4.21Å; Q155-Q159 WeakPolarHBondContact O-CG 3.46Å; Q155-Q159 PolarHBondContact O-N 3.31Å; V157-Q159 PolarHBondContact O-N 2.83Å
160A88.5Confident87Confident0 Ų063.3 Ų63.30%033%0.333CS..Hα-helixtrans-64.9-42.5176.700000111.7I105 F123 F126 S156 V157 H166 V175I105-A160 HydrophobicContact CD1-CB 4.27Å; F123-A160 HydrophobicContact CD1-CB 4.35Å; F123-A160 HydrophobicContact CE1-CB 4.28Å; F126-A160 HydrophobicContact CD2-CB 4.33Å; F126-A160 HydrophobicContact CG-CB 4.41Å; S156-A160 WeakPolarHBondContact O-CB 3.38Å; S156-A160 PolarHBondContact O-N 3.11Å; V157-A160 PolarHBondContact O-N 3.2Å; A160-H166 PolarHBondContact O-NE2 2.95Å; A160-V175 HydrophobicContact CB-CG1 4.16Å
161V88.3Confident86.8Confident21 Ų2167 Ų6713%0.12735%0.347CS..Hα-helixtrans-72.4-35.4179.9175.90000112.1I105 V157 D158 M163 H164 V175 K176 R177I105-V161 HydrophobicContact CG2-CG2 3.6Å; V157-V161 HydrophobicContact CG1-CG2 4.26Å; V157-V161 WeakPolarHBondContact O-CB 3.48Å; V157-V161 WeakPolarHBondContact O-CG2 3.43Å; V157-V161 PolarHBondContact O-N 2.64Å; D158-V161 PolarHBondContact O-N 3.38Å; V161-M163 VanDerWaalsContact C-N 3.25Å; V161-M163 PolarHBondContact O-N 3.3Å; V161-H164 PolarHBondContact O-CE1 2.8Å; V161-H164 VanDerWaalsContact O-CE1 3.25Å; V161-H164 VanDerWaalsContact O-CG 3.32Å; V161-H164 PolarHBondContact O-N 2.61Å; V161-H164 PolarHBondContact O-ND1 3.17Å; V161-V175 HydrophobicContact CG2-CG1 3.96Å; V161-K176 VanDerWaalsContact CG2-C 3.44Å; V161-R177 HydrophobicContact CB-CG 4.46Å; V161-R177 HydrophobicContact CG1-CG 4.34Å; V161-R177 HydrophobicContact CG2-CG 3.89Å; V161-R177 VanDerWaalsContact CG2-N 3.32Å
162N87.3Confident86.6Confident130 Ų13073.1 Ų73.170%0.69537%0.373SS*.Hα-helixtrans-56.2-39.7177.2-178.657.7000112.2D158 H164D158-N162 WeakPolarHBondContact O-CB 3.21Å; D158-N162 PolarHBondContact O-N 3.24Å; N162-H164 VanDerWaalsContact C-N 3.29Å; N162-H164 PolarHBondContact O-N 3.45Å; N162-H164 PolarHBondContact O-ND1 3.16Å
163M81.4Confident86.6Confident101 Ų10167.6 Ų67.650%0.49835%0.347SS..Hα-helixtrans-66.9-26.3176.5-71.2-167.567.800113.9F126 V161 F165F126-M163 HydrophobicContact CE1-SD 3.71Å; F126-M163 HydrophobicContact CZ-SD 3.69Å; V161-M163 VanDerWaalsContact C-N 3.25Å; V161-M163 PolarHBondContact O-N 3.3Å; M163-F165 PolarHBondContact O-N 2.6Å
164H80.4Confident86.7Confident92 Ų9266.3 Ų66.343%0.42634%0.338SS..  trans57.3-34.2-177.3-71.582.4000117.4V161 N162 E174 V175V161-H164 PolarHBondContact O-CE1 2.8Å; V161-H164 VanDerWaalsContact O-CE1 3.25Å; V161-H164 VanDerWaalsContact O-CG 3.32Å; V161-H164 PolarHBondContact O-N 2.61Å; V161-H164 PolarHBondContact O-ND1 3.17Å; N162-H164 VanDerWaalsContact C-N 3.29Å; N162-H164 PolarHBondContact O-N 3.45Å; N162-H164 PolarHBondContact O-ND1 3.16Å; H164-E174 WeakPolarHBondContact O-CA 3.27Å; H164-V175 PolarHBondContact O-N 3.2Å
165F88.9Confident86.9Confident109 Ų10963.7 Ų63.748%0.47833%0.326SS..EExtended strand (participates in β ladder)trans-134.1131.9-179.8-64.3-79.6000110.7M163 K172 V173 E174M163-F165 PolarHBondContact O-N 2.6Å; F165-K172 HydrophobicContact CD1-CB 4.46Å; F165-V173 CarbonylContact C-O 3.58Å; F165-V173 WeakPolarHBondContact CA-O 3.22Å; F165-E174 HydrophobicContact CD1-CB 4.33Å; F165-E174 HydrophobicContact CE1-CB 4.13Å; F165-E174 HydrophobicContact CE1-CG 4.14Å
166H87.6Confident87.1Confident1 Ų162.2 Ų62.21%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-124.1119.7179.3-66.3-79000109.8Y122 F126 A160 I168 V173 V175Y122-H166 HydrophobicContact CE1-CB 3.68Å; Y122-H166 AromaticContact CE1-CG 3.76Å; Y122-H166 AromaticContact CE1-ND1 3.55Å; Y122-H166 AromaticContact CZ-ND1 3.96Å; Y122-H166 WeakPolarHBondContact OH-CB 3.31Å; Y122-H166 PolarHBondContact OH-ND1 2.96Å; F126-H166 AromaticContact CE2-CE1 3.6Å; F126-H166 AromaticContact CE2-ND1 3.94Å; F126-H166 AromaticContact CZ-CE1 3.37Å; F126-H166 WeakPolarHBondContact CZ-CE1 3.46Å; F126-H166 AromaticContact CZ-ND1 3.76Å; A160-H166 PolarHBondContact O-NE2 2.95Å; H166-I168 HydrophobicContact CB-CD1 4.31Å; H166-I168 HydrophobicContact CB-CG1 4.18Å; H166-I168 PolarHBondContact O-N 3.15Å; H166-V173 PolarHBondContact N-O 3.35Å; H166-V173 WeakPolarHBondContact O-CB 3.29Å; H166-V173 PolarHBondContact O-N 3.05Å; H166-V175 VanDerWaalsContact CD2-CG2 3.42Å; H166-V175 WeakPolarHBondContact CD2-CG2 3.1Å
167D87.7Confident87Confident90 Ų9063 Ų6348%0.48132%0.32SS..EExtended strand (participates in β ladder)trans-74.6111.4171.3-70.4-84.9000109.6Y122 K171 K172Y122-D167 WeakPolarHBondContact CE2-O 3.46Å; D167-K171 WeakPolarHBondContact CA-O 3.37Å; D167-K172 WeakPolarHBondContact OD1-CE 3.12Å; D167-K172 WeakPolarHBondContact OD1-CG 3.09Å; D167-K172 VanDerWaalsContact OD2-CE 3.3Å; D167-K172 WeakPolarHBondContact OD2-CE 3.46Å; D167-K172 IonicContact OD2-NZ 3.29Å
168I84.6Confident86.8Confident9 Ų963.2 Ų63.25%0.04632%0.322CS..EExtended strand (participates in β ladder)trans-127.4124.1179.8-53.6-175.3000107.9L119 Y122 F123 H166 G170 K171 V173L119-I168 HydrophobicContact CD2-CD1 4.21Å; Y122-I168 HydrophobicContact CD1-CD1 3.65Å; Y122-I168 HydrophobicContact CD1-CG1 4.1Å; Y122-I168 HydrophobicContact CD2-CD1 4.18Å; Y122-I168 HydrophobicContact CD2-CG1 3.87Å; Y122-I168 HydrophobicContact CE1-CD1 3.91Å; Y122-I168 HydrophobicContact CE1-CG1 4.03Å; Y122-I168 HydrophobicContact CE2-CD1 4.37Å; Y122-I168 HydrophobicContact CE2-CG1 3.75Å; Y122-I168 HydrophobicContact CG-CD1 3.8Å; Y122-I168 HydrophobicContact CG-CG1 4.03Å; F123-I168 HydrophobicContact CE2-CD1 4.03Å; F123-I168 HydrophobicContact CZ-CD1 4.4Å; H166-I168 HydrophobicContact CB-CD1 4.31Å; H166-I168 HydrophobicContact CB-CG1 4.18Å; H166-I168 PolarHBondContact O-N 3.15Å; I168-G170 PolarHBondContact O-N 2.99Å; I168-G170 VanDerWaalsContact O-N 3.15Å; I168-K171 PolarHBondContact N-O 2.8Å; I168-K171 PolarHBondContact O-N 3.02Å; I168-V173 HydrophobicContact CB-CG2 3.93Å; I168-V173 HydrophobicContact CD1-CB 4.19Å; I168-V173 HydrophobicContact CD1-CG1 4.43Å; I168-V173 HydrophobicContact CD1-CG2 4.03Å; I168-V173 HydrophobicContact CG1-CB 4.42Å; I168-V173 HydrophobicContact CG1-CG2 4.06Å
169M78.5Confident86.4Confident99 Ų9967.5 Ų67.549%0.48834%0.34SS..THydrogen-bonded Turntrans47.240.4-175.4-64.3-179.1148.400114P111 N113 C114 E118 K171P111-M169 HydrophobicContact CG-CB 4.2Å; N113-M169 WeakPolarHBondContact O-CE 3.43Å; C114-M169 HydrophobicContact CB-SD 3.77Å; E118-M169 HydrophobicContact CG-CE 3.94Å; M169-K171 VanDerWaalsContact C-N 3.32Å; M169-K171 PolarHBondContact O-N 2.88Å
170G80.4Confident85.4Confident77 Ų7766.9 Ų66.979%0.79435%0.346SS*.THydrogen-bonded Turntrans72.717179.600000115.3I168I168-G170 PolarHBondContact O-N 2.99Å; I168-G170 VanDerWaalsContact O-N 3.15Å
171K86.6Confident84.1Confident104 Ų10474.9 Ų74.945%0.45238%0.376SS..EExtended strand (participates in β ladder)trans-125.7145.5169.2-59.1-162.2177.2-161.60111.6P111 D167 I168 M169 V173P111-K171 HydrophobicContact CB-CD 4.22Å; P111-K171 HydrophobicContact CG-CB 4.1Å; P111-K171 HydrophobicContact CG-CD 4.09Å; P111-K171 HydrophobicContact CG-CG 4.16Å; D167-K171 WeakPolarHBondContact CA-O 3.37Å; I168-K171 PolarHBondContact N-O 2.8Å; I168-K171 PolarHBondContact O-N 3.02Å; M169-K171 VanDerWaalsContact C-N 3.32Å; M169-K171 PolarHBondContact O-N 2.88Å; K171-V173 PolarHBondContact O-N 2.86Å
172K88.8Confident82.4Confident134 Ų13480.3 Ų80.358%0.58340%0.404SS*.EExtended strand (participates in β ladder)trans-75.9115.4169.3-69.8-165.8174.5-158.20110.8F165 D167F165-K172 HydrophobicContact CD1-CB 4.46Å; D167-K172 WeakPolarHBondContact OD1-CE 3.12Å; D167-K172 WeakPolarHBondContact OD1-CG 3.09Å; D167-K172 VanDerWaalsContact OD2-CE 3.3Å; D167-K172 WeakPolarHBondContact OD2-CE 3.46Å; D167-K172 IonicContact OD2-NZ 3.29Å
173V91.8Very high80.5Confident0 Ų080.3 Ų80.30%041%0.414CS..EExtended strand (participates in β ladder)trans-95.2120.4171.5178.80000107.8V107 G108 I110 F165 H166 I168 K171V107-V173 HydrophobicContact CG1-CG1 3.27Å; G108-V173 CarbonylContact O-C 3.45Å; G108-V173 VanDerWaalsContact O-CA 3.22Å; G108-V173 WeakPolarHBondContact O-CA 3.18Å; G108-V173 VanDerWaalsContact O-CG1 3.29Å; G108-V173 WeakPolarHBondContact O-CG1 3.34Å; I110-V173 HydrophobicContact CG1-CG1 4.22Å; F165-V173 CarbonylContact C-O 3.58Å; F165-V173 WeakPolarHBondContact CA-O 3.22Å; H166-V173 PolarHBondContact N-O 3.35Å; H166-V173 WeakPolarHBondContact O-CB 3.29Å; H166-V173 PolarHBondContact O-N 3.05Å; I168-V173 HydrophobicContact CB-CG2 3.93Å; I168-V173 HydrophobicContact CD1-CB 4.19Å; I168-V173 HydrophobicContact CD1-CG1 4.43Å; I168-V173 HydrophobicContact CD1-CG2 4.03Å; I168-V173 HydrophobicContact CG1-CB 4.42Å; I168-V173 HydrophobicContact CG1-CG2 4.06Å; K171-V173 PolarHBondContact O-N 2.86Å
174E89.8Confident78.9Confident65 Ų6584 Ų8430%0.30443%0.428SS..EExtended strand (participates in β ladder)trans-78.3134.1176.2-176.1-176.4-172.600110.2V107 G108 H164 F165 K176V107-E174 CarbonylContact C-O 3.56Å; V107-E174 WeakPolarHBondContact CA-O 3.38Å; G108-E174 PolarHBondContact N-O 3.02Å; G108-E174 PolarHBondContact O-N 3.37Å; H164-E174 WeakPolarHBondContact O-CA 3.27Å; F165-E174 HydrophobicContact CD1-CB 4.33Å; F165-E174 HydrophobicContact CE1-CB 4.13Å; F165-E174 HydrophobicContact CE1-CG 4.14Å; E174-K176 WeakPolarHBondContact OE1-CE 3.35Å; E174-K176 IonicContact OE1-NZ 3.14Å; E174-K176 PolarHBondContact OE1-NZ 2.83Å
175V92.3Very high77.3Confident0 Ų083.6 Ų83.60%044%0.435CS..EExtended strand (participates in β ladder)trans-124.9133.2177.4170.30000111.1I105 F106 V107 F123 A160 V161 H164 H166I105-V175 HydrophobicContact CB-CG1 4.1Å; I105-V175 HydrophobicContact CD1-CG1 3.75Å; I105-V175 HydrophobicContact CD1-CG2 4.37Å; I105-V175 HydrophobicContact CG2-CG1 4.1Å; F106-V175 WeakPolarHBondContact O-CA 3.49Å; V107-V175 HydrophobicContact CG1-CG2 4.32Å; V107-V175 HydrophobicContact CG2-CG2 4.34Å; F123-V175 HydrophobicContact CE1-CG2 3.92Å; F123-V175 HydrophobicContact CZ-CG2 3.64Å; A160-V175 HydrophobicContact CB-CG1 4.16Å; V161-V175 HydrophobicContact CG2-CG1 3.96Å; H164-V175 PolarHBondContact O-N 3.2Å; H166-V175 VanDerWaalsContact CD2-CG2 3.42Å; H166-V175 WeakPolarHBondContact CD2-CG2 3.1Å
176K90.3Very high75.1Confident100 Ų10086.7 Ų86.744%0.43545%0.451SS..EExtended strand (participates in β ladder)trans-140.7155.2179.9-79.9172.2164.3157.20110.1I105 F106 V161 E174 A178I105-K176 CarbonylContact C-O 3.56Å; I105-K176 VanDerWaalsContact CA-O 3.25Å; I105-K176 WeakPolarHBondContact CA-O 3.45Å; I105-K176 WeakPolarHBondContact CB-O 3.29Å; F106-K176 HydrophobicContact CD1-CB 4.43Å; F106-K176 PolarHBondContact N-O 2.62Å; F106-K176 PolarHBondContact O-N 3.08Å; F106-K176 VanDerWaalsContact O-N 3.08Å; V161-K176 VanDerWaalsContact CG2-C 3.44Å; E174-K176 WeakPolarHBondContact OE1-CE 3.35Å; E174-K176 IonicContact OE1-NZ 3.14Å; E174-K176 PolarHBondContact OE1-NZ 2.83Å; K176-A178 PolarHBondContact O-N 2.82Å
177R88.9Confident72.7Confident22 Ų2292.1 Ų92.18%0.08348%0.484CS..EExtended strand (participates in β ladder)trans-58.3132.6165.3-77.2-167.6170-124.724.4108.4N100 E154 V157 D158 V161 E179N100-R177 PolarHBondContact ND2-NH2 2.98Å; N100-R177 VanDerWaalsContact ND2-NH2 3.11Å; N100-R177 PolarHBondContact O-NH1 2.8Å; N100-R177 PolarHBondContact OD1-NE 3.24Å; E154-R177 IonicContact OE1-CZ 2.83Å; E154-R177 VanDerWaalsContact OE1-CZ 3.24Å; E154-R177 IonicContact OE1-NH1 2.76Å; E154-R177 PolarHBondContact OE1-NH1 2.92Å; E154-R177 IonicContact OE1-NH2 3.96Å; E154-R177 PolarHBondContact OE1-NH2 3.19Å; V157-R177 HydrophobicContact CG1-CG 3.74Å; D158-R177 IonicContact OD1-CZ 3.24Å; D158-R177 VanDerWaalsContact OD1-CZ 3.29Å; D158-R177 IonicContact OD1-NE 2.77Å; D158-R177 PolarHBondContact OD1-NE 2.97Å; D158-R177 VanDerWaalsContact OD1-NE 3.14Å; D158-R177 IonicContact OD1-NH2 3.28Å; D158-R177 PolarHBondContact OD1-NH2 3.47Å; D158-R177 IonicContact OD2-CZ 2.73Å; D158-R177 IonicContact OD2-NH2 2.74Å; D158-R177 PolarHBondContact OD2-NH2 3.16Å; V161-R177 HydrophobicContact CB-CG 4.46Å; V161-R177 HydrophobicContact CG1-CG 4.34Å; V161-R177 HydrophobicContact CG2-CG 3.89Å; V161-R177 VanDerWaalsContact CG2-N 3.32Å; R177-E179 PolarHBondContact O-N 2.96Å
178A84.3Confident70.5Confident4 Ų493.8 Ų93.83%0.03350%0.5CS..PPolyproline II helixtrans-72.3122.5-17800000109.8S102 K104 F148 K176S102-A178 PolarHBondContact OG-O 3.06Å; K104-A178 HydrophobicContact CB-CB 4.03Å; K104-A178 HydrophobicContact CG-CB 3.92Å; K104-A178 VanDerWaalsContact O-CB 3.22Å; K104-A178 WeakPolarHBondContact O-CB 3.27Å; K104-A178 PolarHBondContact O-N 3.44Å; F148-A178 HydrophobicContact CD1-CB 3.93Å; F148-A178 HydrophobicContact CE1-CB 4.31Å; K176-A178 PolarHBondContact O-N 2.82Å
179E80Confident68.4Low147 Ų14796.1 Ų96.169%0.68753%0.526SS*.PPolyproline II helixtrans-60.6133.4166.7-63.3-166.1143.300109.3N99 R177 R181N99-E179 WeakPolarHBondContact OD1-CA 3.42Å; R177-E179 PolarHBondContact O-N 2.96Å; E179-R181 PolarHBondContact O-N 3.27Å
180P67.9Low66.9Low99 Ų9997.1 Ų97.164%0.64354%0.54SS*.  trans-68.993.4-179.127.8-34.4000109.7N99 D182N99-P180 WeakPolarHBondContact OD1-CD 3.22Å; P180-D182 PolarHBondContact O-N 3.4Å
181R61Low65.2Low168 Ų168100.2 Ų100.263%0.63455%0.546SS*.  trans-72.692.3176.5-170.6175.9-174.9-178.30.1109.9E179 S183E179-R181 PolarHBondContact O-N 3.27Å; R181-S183 PolarHBondContact O-N 3.24Å
182D52.7Low63.1Low136 Ų13698.6 Ų98.673%0.72756%0.559SS**  trans-46.2115.6167.6-87.7-56.1000109.9P180 K184P180-D182 PolarHBondContact O-N 3.4Å; D182-K184 PolarHBondContact O-N 3.47Å
183S47Very low61Low129 Ų12997 Ų9790%0.90257%0.571SS**THydrogen-bonded Turntrans-75.631.4-17151.90000113.6R181R181-S183 PolarHBondContact O-N 3.24Å
184K48.6Very low58.4Low180 Ų180102.9 Ų102.978%0.78361%0.612SS**THydrogen-bonded Turntrans-122.39.4-172.6-151.1167.3-174.6176.40113.7D182D182-K184 PolarHBondContact O-N 3.47Å
185S44.8Very low56.1Low83 Ų83107.7 Ų107.758%0.5863%0.634SS**  trans-102.25.9179.353.30000114.6
186Q43.4Very low53.5Low174 Ų174118.8 Ų118.881%0.81368%0.677SS**  trans-104.248.7175.8-161.4168.2-2.800112.3
187T36.3Very low50.9Low114 Ų114117.2 Ų117.270%0.69969%0.689SS**  trans-82.6125.7156.6-56.80000107.7G189T187-G189 PolarHBondContact O-N 3.24Å
188P43Very low48.5Very low125 Ų125122.5 Ų122.581%0.81273%0.729SS**  trans-64.5100.6166.7-18.532.4000109.1
189G40.6Very low46.3Very low58 Ų58134 Ų13460%0.59877%0.771SS**  trans-70.3142.8174.100000110.8T187T187-G189 PolarHBondContact O-N 3.24Å
190P46.9Very low44.2Very low121 Ų121134.6 Ų134.679%0.78678%0.778SS**  trans-62.6148.5173.228-34.5000110.6G192P190-G192 PolarHBondContact O-N 2.96Å
191P44.3Very low42.7Very low142 Ų142138.1 Ų138.192%0.92279%0.788SS**SBendtrans-71.6104.3-174.428.4-34.5000111.4
192G41.4Very low41.9Very low70 Ų70135.6 Ų135.672%0.72279%0.793SS**  trans-169.8113.7178.900000116.1P190P190-G192 PolarHBondContact O-N 2.96Å
193A44.8Very low41.2Very low101 Ų101135.2 Ų135.284%0.83580%0.801SS**  trans69.5164.4158.600000120.4
194S38.6Very low40.5Very low122 Ų122133.2 Ų133.285%0.85379%0.792SS**  trans68.654.3165.7-58.40000117.6W196S194-W196 PolarHBondContact O-N 3Å
195Q40.3Very low39.8Very low166 Ų166129 Ų12978%0.77679%0.791SS**  trans-66.7107.8164.2-172.8175.2-1.800111.9
196W37.6Very low39.4Very low234 Ų234132.6 Ų132.689%0.88680%0.804SS**  trans77.5136.2154.5-61.618.2000120.4S194S194-W196 PolarHBondContact O-N 3Å
197G36.9Very low38.7Very low67 Ų67127.7 Ų127.769%0.69180%0.8SS**  101.866.4123.900000119R199G197-R199 PolarHBondContact O-N 3.21Å
198S38.2Very low38.5Very low133 Ų133134.8 Ų134.893%0.9381%0.814SS**  trans-61.8103.8161.7-53.90000111.1
199R38.3Very low38.3Very low244 Ų244133.9 Ų133.992%0.92182%0.817SS**  trans-98139.1162.5-76.9-160.5-104.1-156-2.6110.4G197G197-R199 PolarHBondContact O-N 3.21Å
200I36.6Very low38Very low160 Ų160134.8 Ų134.882%0.82183%0.826SS**  trans-80.1131.2177.9-65166.1000109
201M34.8Very low37.4Very low173 Ų173137.6 Ų137.685%0.85283%0.829SS**  trans-140.7148.1148-84.4-58.3177.100109
202P45.3Very low37.4Very low115 Ų115136.8 Ų136.875%0.74782%0.824SS**  trans-86.7172.2-170.635.7-37.1000113.8
203S37.5Very low37.7Very low128 Ų128138.5 Ų138.590%0.89582%0.822SS**  trans-82.5125.1175.8-174.20000112.6
204A32.9Very low38Very low87 Ų87138.8 Ų138.872%0.71982%0.815SS**  trans-148.4120.7157.400000105.7
205A33.1Very low37.6Very low91 Ų91138.4 Ų138.475%0.75281%0.808SS**  69.4114.171.100000113.1
206N35.8Very low37.2Very low160 Ų160140.4 Ų140.486%0.85681%0.809SS**  trans61.487.2166-646.5000120.2
207G29.9Very low37.2Very low71 Ų71135.4 Ų135.473%0.73280%0.795SS**  69.3176.5113.700000122.2
208W31.1Very low37Very low263 Ų263139.4 Ų139.4100%0.99680%0.796SS**  trans73.7145.2176.2-58.793.8000118
209A40.2Very low36.7Very low105 Ų105135.8 Ų135.887%0.86878%0.779SS**  trans-104147.2-174.800000111.6
210G33.1Very low36.4Very low77 Ų77135.2 Ų135.279%0.79478%0.779SS**  trans-139.4112.3-176.200000113.2
211Q35.9Very low36.3Very low181 Ų181130.9 Ų130.985%0.84677%0.773SS**  trans-51143.1176.2-64.7-87.4-32.600114.9
212P44Very low36.8Very low125 Ų125128.1 Ų128.181%0.81277%0.769SS**  trans-106.9116.5160.834.9-26.1000113.1
213P48Very low36.2Very low106 Ų106131.1 Ų131.169%0.68877%0.773SS**  trans-124.1171.2166.238.8-27.9000112.9
214P50Low36Very low106 Ų106128.2 Ų128.269%0.68876%0.763SS**  cis-134.4166.9-2132.9-13.9000115.6
215T30.5Very low35.8Very low114 Ų114131.7 Ų131.770%0.69977%0.766SS**  trans58.5154.6155.449.80000119.4
216W31.6Very low35.6Very low209 Ų209138 Ų13879%0.79277%0.771SS**  cis-126.6138.620.8-78.767.1000111.6
217Q37Very low35.7Very low129 Ų129136.1 Ų136.160%0.60377%0.765SS**  56.4129.196.8-105.1-173.480.100114.3
218Q33.8Very low36.5Very low151 Ų151138.3 Ų138.371%0.70677%0.766SS**  cis-140.4169.313.8-78.1-82-2.700109.4
219G31.2Very low36.5Very low56 Ų56130.9 Ų130.958%0.57776%0.761SS**  cis172169.2-1.800000111.6
220Y33.4Very low36.2Very low232 Ų232129.7 Ų129.791%0.9176%0.759SS**  trans64.3125173.4-69.4-93.6000120.1
221G32.8Very low36.2Very low69 Ų69135.4 Ų135.471%0.71177%0.765SS**  trans-111-132.4163.500000110.3
222P46.7Very low35.8Very low116 Ų116131 Ų13175%0.75376%0.759SS**  cis-142-174.9-4.644.9-27.8000115.4
223Q31.7Very low35.2Very low178 Ų178133.1 Ų133.183%0.83276%0.762SS**  trans62.5153.9164-62.8-74.96.300117.1
224G34.3Very low34.5Very low67 Ų67131.9 Ų131.969%0.69177%0.769SS**  cis-165.3154.3-8.400000107.4
225M29Very low33.6Very low159 Ų159130.6 Ų130.678%0.78378%0.775SS**  113.992.753.6-162.870161.100110.6
226W27.7Very low33.7Very low224 Ų224137 Ų13785%0.84879%0.788SS**  trans76.4146.9159.4-70.168000123.7
227V38.8Very low33.8Very low120 Ų120130.3 Ų130.373%0.72778%0.784SS**  trans-75.3179.2175.3-79.60000113.5
228P45.5Very low34.5Very low117 Ų117130.1 Ų130.176%0.7679%0.793SS**  cis-137.7177.35.937.1-15.7000118.1
229A31.8Very low35.3Very low107 Ų107128.5 Ų128.588%0.88480%0.796SS**  trans31.7128.8147.300000123.4
230G33.2Very low36.2Very low81 Ų81131.4 Ų131.484%0.83581%0.805SS**  trans-167.5157.3163.400000112.2
231Q32.6Very low36.8Very low197 Ų197126.7 Ų126.792%0.92180%0.803SS**  trans-106143.7-174.8-78-170.6-20.400114.9
232A28.1Very low37Very low88 Ų88127 Ų12773%0.72781%0.806SS**  trans35128.2144.900000122.1
233I32.8Very low36.7Very low170 Ų170133.8 Ų133.887%0.87282%0.816SS**  -174.1141.4100.7-94164.1000111.9
234G32.5Very low37Very low80 Ų80128.6 Ų128.683%0.82581%0.81SS**  trans35.5118.7151.700000123
235G30Very low37.6Very low79 Ų79129.9 Ų129.981%0.81482%0.815SS**  trans-169139.6162.200000113.1
236Y33.9Very low38.7Very low249 Ų249128 Ų12898%0.97682%0.815SS**  trans-74.4139.4179.5-80.9-113.1000112.2
237G33.7Very low40.3Very low68 Ų68123 Ų12370%0.70181%0.811SS**  trans177.9143.4168.700000113.6
238P50.5Low41.3Very low124 Ų124122.9 Ų122.981%0.80581%0.812SS**PPolyproline II helixtrans-81.7153.3-176.532.9-35.5000113.5
239P50.8Low42Very low118 Ų118123 Ų12377%0.76681%0.813SS**PPolyproline II helixtrans-82.3145.1-17832.8-35.3000113.3
240P50.2Low43.4Very low117 Ų117123.4 Ų123.476%0.7681%0.807SS**PPolyproline II helixtrans-72.7149.7168.130.9-34000111.5
241P46Very low44.2Very low133 Ų133125 Ų12586%0.86480%0.802SS**PPolyproline II helixtrans-66146.2-173.7-23.635.1000115.2
242G38.1Very low44.7Very low75 Ų75125.6 Ų125.677%0.77380%0.802SS**PPolyproline II helixtrans-68.7151.4178.300000114.3G244G242-G244 PolarHBondContact O-N 3.07Å
243R40.2Very low45.2Very low258 Ų258126.7 Ų126.797%0.97480%0.8SS**  trans-75.689.5-177.6-165.6-178.9-167.9-1714.8111.5
244G37.1Very low45.3Very low69 Ų69123.9 Ų123.971%0.71180%0.796SS**  trans-73-179.4-176.600000116.7G242G242-G244 PolarHBondContact O-N 3.07Å
245A46.9Very low45.6Very low95 Ų95130.5 Ų130.579%0.78580%0.797SS**PPolyproline II helixtrans-61.1163.7-171.800000116.2
246P52.3Low45.9Very low120 Ų120134 Ų13478%0.77980%0.796SS**PPolyproline II helixtrans-63.3156.4170.328-36.9000113.1
247P61.1Low45.9Very low119 Ų119128.7 Ų128.777%0.77379%0.789SS**PPolyproline II helixtrans-78.6154.4-170.731.7-36.8000114.5
248P60.9Low45.9Very low116 Ų116130.4 Ų130.475%0.75379%0.79SS**PPolyproline II helixtrans-78.116317334-36.2000113.1
249P60.3Low45.6Very low119 Ų119130.8 Ų130.877%0.77379%0.79SS**PPolyproline II helixtrans-72.4157.4175.231.3-36.2000112.9
250P59.7Low45.1Very low117 Ų117130.8 Ų130.876%0.7679%0.79SS**PPolyproline II helixtrans-75.8147.5-179.231.5-35.7000112.9
251P50.6Low44.8Very low113 Ų113131.6 Ų131.673%0.73480%0.795SS**PPolyproline II helixtrans-77.1152.9173.832.6-35000112.3
252F43.7Very low44.4Very low211 Ų211129.2 Ų129.293%0.92580%0.795SS**PPolyproline II helixtrans-64.9135.7166.9-91.9-111.5000110.9
253T38.3Very low44.2Very low110 Ų110128.9 Ų128.968%0.67579%0.792SS**  trans-121.6133.4164.333.70000110.3Y255T253-Y255 WeakPolarHBondContact O-CE1 3.44Å
254S35.6Very low44Very low112 Ų112127 Ų12778%0.78379%0.791SS**  trans-80.4129.3-179.839.40000111.4I256S254-I256 PolarHBondContact O-N 3.22Å
255Y37.8Very low44.5Very low219 Ų219129 Ų12986%0.85979%0.791SS**  trans-81.4100.7178.4-22.3-69.6000109.9T253T253-Y255 WeakPolarHBondContact O-CE1 3.44Å
256I36Very low44.4Very low153 Ų153130 Ų13079%0.78579%0.79SS**  trans-76134.3161.150.8174.3000109S254S254-I256 PolarHBondContact O-N 3.22Å
257V34.5Very low44Very low136 Ų136129.9 Ų129.982%0.82479%0.789SS**  trans-83.9132.9-17867.80000110.9
258S34.5Very low42.9Very low105 Ų105133.7 Ų133.773%0.73480%0.797SS**  trans-138.6126.7175.5-69.50000109.8
259T43Very low41.7Very low131 Ų131132 Ų13280%0.80480%0.8SS**PPolyproline II helixtrans-100.5136.1-173.549.50000113
260P40.6Very low40.8Very low119 Ų119136 Ų13677%0.77381%0.805SS**PPolyproline II helixtrans-87.4150.7159.534.5-31.1000111.5
261P43.7Very low40.3Very low133 Ų133136 Ų13686%0.86481%0.806SS**PPolyproline II helixtrans-97.6154.4-173.136.8-35.6000115.5
262G37.7Very low39.5Very low83 Ų83139 Ų13986%0.85681%0.81SS**  trans123.9145.2174.200000112.1
263G33.6Very low39Very low68 Ų68132 Ų13270%0.70180%0.798SS**  cis168.9153-4.100000110.3
264F35.7Very low38.9Very low219 Ų219138 Ų13896%0.96181%0.81SS**  trans77.6154.8-173.1-70.6-92.1000117
265P48.2Very low38.8Very low110 Ų110135.5 Ų135.571%0.71480%0.802SS**  trans-117.4166.1-144.442.2-34.6000116.9
266P44.1Very low39.2Very low118 Ų118132.1 Ų132.177%0.76680%0.804SS**  trans-96.2157.2168.837.9-33.7000113.7
267P44Very low40Very low117 Ų117130.4 Ų130.476%0.7680%0.803SS**  trans-90.4128.5171.733.6-31.7000114
268Q39.7Very low40.5Very low199 Ų199129.7 Ų129.793%0.9380%0.801SS**  trans43.5115.3148.7-62.2176.2-77.800121.2
269G34.7Very low41.4Very low79 Ų79130.4 Ų130.481%0.81480%0.804SS**  trans-173.6115.7160.200000112.8
270F40.9Very low41.1Very low203 Ų203134.1 Ų134.189%0.8981%0.809SS**  trans-101.7166.3177.9-82.5-108.5000110.7
271P50Low40.7Very low119 Ų119134 Ų13477%0.77381%0.811SS**  cis-134.4176.5-21.234.4-15000115.9
272Q34.4Very low40.6Very low174 Ų174137.3 Ų137.381%0.81381%0.812SS**  trans-32.5154.8170.1-82.5-71.5-6.500121.7
273G32.7Very low40.5Very low66 Ų66136.9 Ų136.968%0.6881%0.808SS**  trans-165119.5163.100000113
274Y36Very low41.1Very low234 Ų234145.3 Ų145.392%0.91882%0.82SS**  trans-67.4158.4176.6-61.2-110.5000111.8
275G33.6Very low41Very low60 Ų60138.3 Ų138.362%0.61981%0.81SS**  cis163165.1-3.800000112.6
276T46.2Very low41.3Very low148 Ų148137.6 Ų137.691%0.90881%0.813SS**  trans69.1149.517567.60000119.4
277P51.6Low42.1Very low117 Ų117137.6 Ų137.676%0.7681%0.813SS**  trans-113.3160.7-176.241.5-33.5000115.6
278P46.4Very low42.9Very low121 Ų121137.8 Ų137.879%0.78681%0.814SS**PPolyproline II helixtrans-89.9157.2164.636-32.9000112.9
279P52Low44Very low121 Ų121133.8 Ų133.879%0.78681%0.805SS**PPolyproline II helixtrans-94.9165.9-171.737.6-37.1000115.1
280F37.8Very low45.3Very low209 Ų209135.7 Ų135.792%0.91780%0.803SS**PPolyproline II helixtrans-65144.6163.8-47.9-87.2000111.1
281S32.1Very low45.6Very low116 Ų116132.3 Ų132.381%0.81180%0.802SS**  trans-141.3128169.1-165.80000110.7
282F42.1Very low45.2Very low203 Ų203133.6 Ų133.689%0.8980%0.802SS**  trans-90.1123.8173.6-88.8-99.6000109.4
283G34.1Very low45.8Very low74 Ų74133.6 Ų133.676%0.76380%0.802SS**  trans-129.9120.3171.800000110.8
284Y47Very low46.3Very low244 Ų244140.5 Ų140.596%0.95781%0.814SS**  trans-72.5129170.6-92.2-104.6000109.8
285G34.4Very low46.9Very low73 Ų73133.1 Ų133.175%0.75380%0.801SS**  trans-125.8137.4174.300000111.2
286A54.1Low47.8Very low94 Ų94136 Ų13678%0.77781%0.809SS**PPolyproline II helixtrans-75.3157.1179.400000112.2
287P61.2Low47.9Very low119 Ų119135 Ų13577%0.77381%0.805SS**PPolyproline II helixtrans-67.8153.3178.728.8-36.2000112.7
288P59.9Low47.5Very low120 Ų120133.4 Ų133.478%0.77981%0.81SS**PPolyproline II helixtrans-72.6144.3-18030-35.2000112.6
289P62.5Low47.7Very low115 Ų115134.4 Ų134.475%0.74781%0.813SS**PPolyproline II helixtrans-76.5161.4172.833-35.5000112.4
290P62.2Low47.9Very low119 Ų119134.2 Ų134.277%0.77381%0.812SS**PPolyproline II helixtrans-74.4151.917731.9-36000112.6
291P47Very low49.2Very low132 Ų132129.9 Ų129.986%0.85781%0.805SS**  trans-87.6108.817333.3-30.6000111.3
292D42.3Very low50.7Low146 Ų146129.9 Ų129.978%0.78180%0.802SS**  trans-145.4157.8166.2-148.1-43.6000110.4
293Q46.9Very low51.1Low174 Ų174126.5 Ų126.581%0.81380%0.8SS**  trans61.279.4174.5-54.2-171.32.900118.2
294F42.5Very low51.4Low212 Ų212127.7 Ų127.793%0.9380%0.803SS**  trans-146.6152131.4-138.4-96000111.9
295A49.6Very low51.2Low78 Ų78122.7 Ų122.765%0.64580%0.798SS**PPolyproline II helixtrans-81.9150.6-170.100000113.8
296P52.4Low51.5Low121 Ų121125.4 Ų125.479%0.78680%0.803SS**PPolyproline II helixtrans-78.2138.9-18031-34.8000113
297P48.3Very low50.6Low128 Ų128124.5 Ų124.583%0.83180%0.803SS**PPolyproline II helixtrans-73.6156167.331.7-33.9000111.7
298G41.8Very low49.3Very low83 Ų83123 Ų12386%0.85680%0.801SS**PPolyproline II helixtrans-72.9156.6-161.700000117.7
299V51.3Low48.4Very low141 Ų141124 Ų12486%0.85581%0.805SS**PPolyproline II helixtrans-88.4153.8167.2-75.50000111.5
300P57.3Low47.9Very low117 Ų117123.6 Ų123.676%0.7680%0.802SS**PPolyproline II helixtrans-79.2159.3-171.131.8-37.1000114.7
301P64Low46.9Very low118 Ų118125.9 Ų125.977%0.76681%0.807SS**PPolyproline II helixtrans-85.1157.2-178.834.8-36.5000114.2
302P63.8Low46.4Very low117 Ų117123.5 Ų123.576%0.7680%0.798SS**PPolyproline II helixtrans-74.1160.5167.732.9-35.3000112.3
303P50.4Low46.1Very low131 Ų131126 Ų12685%0.85180%0.802SS**PPolyproline II helixtrans-71.8139.7-175.329.3-35.6000113.1
304A39.6Very low46.2Very low100 Ų100122.8 Ų122.883%0.82680%0.797SS**PPolyproline II helixtrans-97.4134.1176.600000112.1
305T44Very low47Very low138 Ų138118.4 Ų118.485%0.84779%0.79SS**PPolyproline II helixtrans-102.3125.7165.7-46.80000108.3
306P41.1Very low47.6Very low130 Ų130120.3 Ų120.384%0.84480%0.795SS**PPolyproline II helixtrans-81137.5-171.330.7-34.7000113.3
307G34.8Very low47.8Very low76 Ų76120.4 Ų120.478%0.78480%0.796SS**  trans-172.668.9-177.400000116.8
308A34.6Very low48.4Very low88 Ų88119.6 Ų119.673%0.72779%0.791SS**  trans44.298.8151.100000121.9
309T39.9Very low48.6Very low140 Ų140121.7 Ų121.786%0.85979%0.789SS**  trans64.3158.1132.749.50000122.1
310P52.8Low48.3Very low107 Ų107120.8 Ų120.870%0.69579%0.789SS**  trans-119.8165.5-161.837.5-22000116.6
311L39.8Very low47.3Very low166 Ų166124 Ų12487%0.86979%0.794SS**  trans143.4145.1133.5-75176.1000115.2
312A37.7Very low46Very low82 Ų82123.2 Ų123.268%0.67880%0.798SS**  trans79.1162.7159.900000121
313F35.8Very low44.9Very low199 Ų199124 Ų12487%0.87380%0.8SS**  trans77.2151.1-179.6-57.3-75.4000116.8
314P48.9Very low44.5Very low107 Ų107126.9 Ų126.970%0.69580%0.802SS**  -132.4167.6-74.630.9-11.3000114.7
315P59.3Low44.5Very low120 Ų120129 Ų12978%0.77980%0.799SS**PPolyproline II helixtrans-78.5160177.732.6-36.4000114.3
316P61.9Low44.5Very low118 Ų118131.4 Ų131.477%0.76680%0.804SS**PPolyproline II helixtrans-77.6160.1178.532.7-36.5000113.9
317P57.3Low44.7Very low123 Ų123130.2 Ų130.280%0.79980%0.798SS**PPolyproline II helixtrans-76.8152.3-176.931.4-36.1000114.1
318P60Low45Very low111 Ų111136.4 Ų136.472%0.72180%0.804SS**PPolyproline II helixtrans-90.6156.4-175.135.9-36.5000114.4
319P47Very low46.2Very low126 Ų126137.6 Ų137.682%0.81880%0.804SS**PPolyproline II helixtrans-77.7134.1166.932.3-32.8000111.3
320S43.8Very low46.5Very low123 Ų123136.6 Ų136.686%0.8680%0.8SS**PPolyproline II helixtrans-80.2128.9177.3-62.40000111.7
321Q36.1Very low45.7Very low185 Ų185137.8 Ų137.886%0.86481%0.805SS**PPolyproline II helixtrans-86139.9167.6-71.3-176.4-19.500110.7
322A37.4Very low45.6Very low101 Ų101134.6 Ų134.684%0.83580%0.803SS**  trans-141.392.9163.900000109
323T40.3Very low45.5Very low132 Ų132139.3 Ų139.381%0.8181%0.811SS**  trans-77.6119.8172.142.80000110.4
324Q42Very low46.7Very low192 Ų192134.7 Ų134.790%0.89780%0.801SS**  trans-133.2119156.1-71.3-166-13.300109.7
325D40.6Very low45.8Very low144 Ų144138.7 Ų138.777%0.7781%0.81SS**  trans-80.2137162.1176.3-88000108.5
326M42.3Very low45.2Very low190 Ų190142.5 Ų142.594%0.93682%0.815SS**  trans-160.5149.1156.9-116178.6-171.300111.9
327S45.8Very low44.6Very low104 Ų104142.6 Ų142.673%0.72782%0.816SS**  trans-114.6138.1-169.2-75.20000113.9
328K40.7Very low43.3Very low207 Ų207146 Ų14690%0.981%0.814SS**  trans71.7156.4167.7-83-178.6173.5177.70118.7
329P60.8Low42.3Very low113 Ų113146 Ų14673%0.73482%0.816SS**  trans-104160.8-170.940.9-35.6000114.7
330P46.8Very low41.6Very low119 Ų119145.7 Ų145.777%0.77380%0.804SS**  -134.3175.3123.113.98.3000110.9
331T35.1Very low41.1Very low132 Ų132148.5 Ų148.581%0.8180%0.801SS**  cis169.1157.8-19.5-80.60000105.1
332A37.5Very low40.9Very low99 Ų99142.4 Ų142.482%0.81879%0.787SS**  trans84146.5167.400000120.1
333Q36.6Very low40.7Very low180 Ų180149 Ų14984%0.84179%0.792SS**  trans-115.9-162179.5-70.6-115.4-46.300108
334P61.2Low40.4Very low103 Ų103145.6 Ų145.667%0.66978%0.783SS**  -122.9-171.8-65.737.2-22.7000110.5
335E30Very low40.1Very low190 Ų190146 Ų14689%0.88879%0.785SS**  trans-172.2162139.8-110.2172.4134.300114.5
336F45.2Very low39.9Very low200 Ų200145.1 Ų145.188%0.87778%0.781SS**  trans-128.4150.2172.9-77.6-87.7000109.9
337P49.8Very low39.6Very low120 Ų120143.3 Ų143.378%0.77977%0.774SS**  -139.5147.9120.335-22.2000111.4
338Y30.6Very low39.3Very low196 Ų196143.8 Ų143.877%0.76978%0.777SS**  cis7293.645.9-158.6-87.5000115.9
339S38.8Very low39Very low109 Ų109137.4 Ų137.476%0.76277%0.77SS**  trans174.3173.8145.6-810000111.9
340Q32.7Very low37.8Very low120 Ų120142.6 Ų142.656%0.56178%0.782SS**  -169.2138.7-56.5-165.6171.4-128.200110.4
341F33.3Very low37.2Very low183 Ų183140.6 Ų140.680%0.80378%0.783SS**  trans63.6161.1175.7-55.1-52.3000117.3
342G31.2Very low37.5Very low56 Ų56142.3 Ų142.358%0.57778%0.781SS**  cis154.3144.8-12.300000114.1
343Y33.7Very low37.5Very low240 Ų240141.1 Ų141.194%0.94178%0.779SS**  trans66.8153.7179.3-49.9-85000115.9
344G33.9Very low37.6Very low60 Ų60141.6 Ų141.662%0.61978%0.779SS**  cis173.5168.1-800000112.5
345Q36.6Very low36.5Very low201 Ų201142.4 Ų142.494%0.93979%0.786SS**  trans64.6167.9174.9-59.6176.6-85.900117.5
346D34.6Very low36.8Very low126 Ų126139.7 Ų139.767%0.67478%0.778SS**  cis-171149.8-46-178.8-146.9000108.4
347L37.2Very low36.9Very low152 Ų152135.8 Ų135.880%0.79677%0.773SS**  trans54.7143.1174.8-71162.1000117
348S38.6Very low36.4Very low113 Ų113134.7 Ų134.779%0.7977%0.768SS**  cis-163.6161.2-2.654.50000108.6
349G35Very low37Very low73 Ų73135 Ų13575%0.75378%0.776SS**  trans155.787.2171.800000116.9
350F34.8Very low37.2Very low222 Ų222138.4 Ų138.497%0.97478%0.78SS**  trans-4.3135.4161.4-74.7-98.5000120.6
351G34.1Very low38.1Very low77 Ų77138.5 Ų138.579%0.79479%0.791SS**  trans12272.9145.500000116.9
352Q43.3Very low38.7Very low168 Ų168135.5 Ų135.579%0.78579%0.79SS**  trans-125.3149165.6-85-69.11.300110.9
353G35.6Very low39.7Very low74 Ų74137.8 Ų137.876%0.76380%0.795SS**  trans-179.139.7-17200000115.4
354F40.1Very low39.8Very low191 Ų191137.7 Ų137.784%0.83879%0.794SS**PPolyproline II helixtrans-70150.1169.9-82.3-92.6000111.5
355S37Very low39.7Very low119 Ų119138.3 Ų138.383%0.83280%0.801SS**PPolyproline II helixtrans-83.4132.6-176.353.40000113.6
356D36.1Very low39.5Very low134 Ų134132.5 Ų132.572%0.71780%0.795SS**PPolyproline II helixtrans-98.3146.7172.7-174.5-91.9000112.7S358D356-S358 PolarHBondContact OD1-OG 3.02Å
357P48.2Very low40.7Very low118 Ų118132.4 Ų132.477%0.76680%0.801SS**  trans-114.581-176.940.2-29.3000115.2
358S39Very low40.7Very low97 Ų97130.4 Ų130.468%0.67880%0.8SS**  trans-158.5101.2167.2550000117.3D356D356-S358 PolarHBondContact OD1-OG 3.02Å
359Q42.9Very low40.7Very low201 Ų201130.9 Ų130.994%0.93980%0.798SS**  trans-150.1149.6155.3-74-156.917.900113.1
360Q44.3Very low40.8Very low182 Ų182136 Ų13685%0.8580%0.802SS**  trans-114.6156.7170.1-78.3-172.7-26.500111
361P50.6Low41.6Very low121 Ų121130.6 Ų130.679%0.78679%0.789SS**  trans-96.5149.4-169.936.4-35.6000115.8
362P46.1Very low41.7Very low121 Ų121132.3 Ų132.379%0.78679%0.789SS**  trans-92.1169.1164.535.3-32000113.9
363P52Low41.4Very low104 Ų104130 Ų13068%0.67579%0.792SS**  trans-132.2-179.4-149.133.8-12.6000118.2
364Y36Very low41.2Very low237 Ų237129.9 Ų129.993%0.92979%0.79SS**  trans66.3157.7177.8-61.7-94.4000115.6
365G31.7Very low42Very low74 Ų74126.7 Ų126.776%0.76379%0.789SS**  cis177.2155.7-6.200000110.2
366G32.1Very low43.2Very low78 Ų78126.5 Ų126.580%0.80479%0.785SS**  trans-98.7-164.7177.300000113.9
367P60.8Low43.4Very low124 Ų124125.3 Ų125.381%0.80579%0.793SS**  cis-140.4-153.2-043.6-23.5000114.7
368S36.2Very low42.7Very low110 Ų110123.7 Ų123.777%0.76980%0.798SS**  trans96.9155.9156.386.20000120.2
369V38.3Very low42.6Very low124 Ų124122.5 Ų122.575%0.75280%0.801SS**  cis-166.3130.2-23.7134.70000111.6
370Q37.2Very low42.4Very low181 Ų181119.4 Ų119.485%0.84680%0.801SS**  trans54.9176.3149.6-78.1-166.7-16.500121.9
371P52.9Low42.1Very low108 Ų108113.5 Ų113.570%0.70179%0.789SS**  cis-133.7-171.210.645.3-28.2000118.9
372S35.4Very low41.6Very low113 Ų113118.3 Ų118.379%0.7980%0.798SS**  trans84.1145.8-176.876.40000115.8
373S36.1Very low41.2Very low119 Ų119115.9 Ų115.983%0.83280%0.796SS**  cis-161.2162.8-18.742.90000111.6
374G32.3Very low40.6Very low71 Ų71123.7 Ų123.773%0.73281%0.812SS**  trans-120.9-153168.400000111.5
375P56.7Low40.6Very low124 Ų124116.3 Ų116.381%0.80581%0.808SS**  cis-139.8-1538.942-20.3000113.1
376P62Low41.2Very low116 Ų116121.3 Ų121.375%0.75381%0.811SS**  cis-132179.6-48.528.5-7.7000116.9
377A41.4Very low41.4Very low108 Ų108125.2 Ų125.289%0.89381%0.814SS**  trans79.8135.2153.900000119.3
378G33.8Very low40.8Very low85 Ų85127.9 Ų127.988%0.87682%0.815SS**  cis163.3161.1-3.700000110
379G35.3Very low40.8Very low71 Ų71130.4 Ų130.473%0.73282%0.82SS**  cis178.4174.6-2.500000111.4
380S40Very low41.1Very low136 Ų136129.6 Ų129.695%0.95182%0.815SS**  trans66.9162.8179.5-64.10000117.2
381G37.3Very low41.2Very low58 Ų58130.2 Ų130.260%0.59882%0.818SS**  cis171.9154.6-10.600000114.6
382F40.3Very low40.4Very low222 Ų222128.9 Ų128.997%0.97482%0.824SS**  trans65.4147.2173.1-47.3-77.6000119.3
383G36.6Very low40.7Very low71 Ų71132.6 Ų132.673%0.73283%0.826SS**  cis163.5101.6-15.500000118.2
384R40.5Very low41.3Very low267 Ų267135.9 Ų135.9100%1.00883%0.828SS**  trans62.8150.2157.9-79.6-174.2169.1-166.6-2.8121.7
385G34.8Very low43Very low82 Ų82136.8 Ų136.885%0.84582%0.821SS**  trans165.281.816300000116.2
386Q44.4Very low42.5Very low179 Ų179141.6 Ų141.684%0.83683%0.825SS**  trans-100.8152.3167.9-80.3178.7-41.800111.1
387N38.2Very low41.8Very low160 Ų160148 Ų14886%0.85683%0.834SS**  -174.5160.9123.1-99.3-43.5000113.5
388H47.6Very low42.2Very low181 Ų181158.2 Ų158.284%0.83885%0.849SS**  trans-104.4159.3169.7-68.335000110.1
389N36Very low42.7Very low162 Ų162161.9 Ų161.987%0.86685%0.848SS**  trans-152.3172.6144.3-155.710.1000111.8
390V43.3Very low43.1Very low107 Ų107166.6 Ų166.665%0.64885%0.854SS**  trans-133.3167.5-157.4-166.80000111.5
391Q40.2Very low43.2Very low194 Ų194168.3 Ų168.391%0.90785%0.848SS**  trans72143.9166.1-82.6153.7-0.600118.3
392G36.4Very low43.6Very low80 Ų80174.8 Ų174.883%0.82586%0.863SS**  trans161.952.918000000116
393F41.3Very low43.8Very low192 Ų192171.9 Ų171.984%0.84286%0.856SS**  trans-75143.9169.5-141.4-99.1000109.9
394H48.2Very low44.2Very low187 Ų187178.6 Ų178.687%0.86686%0.864SS**  trans179.7144.7140.5-101.782.5000111.9
395P68.8Low44.5Very low90 Ų90172.3 Ų172.358%0.58485%0.854SS**  trans-102.9177.7-176.939.7-36.4000115.2
396Y46.6Very low45.3Very low226 Ų226179.2 Ų179.289%0.88686%0.855SS**  trans65.7113.4168.9-76.9-82.9000119.4
397R46.8Very low45.3Very low250 Ų250179.3 Ų179.394%0.94386%0.856SS**  -147.8160129.9-119.3176.2-170.8-179.53.3111.5
398R50.7Low46Very low322 Ų322181 Ų181100%1.21586%0.856SS**  trans-50.10-171.5-73.5174.9168.3-112.12.3114.4

Retrieved 398 of 398 residues in 818.3 ms (Link to these results)

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