A0A087YP24_POEFO Loading...

V-crk avian sarcoma virus CT10 oncogene homolog-like

AlphaFold DB , UniProt , Accession A0A087YP24, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 299 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
1M38.3Very low61.1Low236 Ų23696.9 Ų96.9100%1.16351%0.506SS*.  0114.30-70.8170.1179.900106.4S3M1-S3 PolarHBondContact O-N 3.17Å
2S41.2Very low61.6Low86 Ų8695.9 Ų95.960%0.60151%0.513SS*.  trans-67.5120.3-173.5-45.20000109.9A4S2-A4 PolarHBondContact O-N 3.38Å
3S51.3Low62.1Low75 Ų7590.5 Ų90.552%0.52449%0.49SS..  trans-74.6-12.6179.6-56.60000113.1M1M1-S3 PolarHBondContact O-N 3.17Å
4A56.4Low63.5Low17 Ų1784.2 Ų84.214%0.1446%0.455CS..  trans-73.6126.9179.900000112.4S2 F6 K89 L98 I99S2-A4 PolarHBondContact O-N 3.38Å; A4-F6 HydrophobicContact CB-CD1 4.13Å; A4-F6 HydrophobicContact CB-CE1 3.88Å; A4-K89 HydrophobicContact CB-CB 3.55Å; A4-K89 HydrophobicContact CB-CD 3.64Å; A4-K89 HydrophobicContact CB-CG 3.4Å; A4-K89 VanDerWaalsContact CB-CG 3.4Å; A4-L98 WeakPolarHBondContact CB-O 3.47Å; A4-I99 WeakPolarHBondContact CA-O 3.3Å
5R63.3Low64.8Low215 Ų21581.6 Ų81.681%0.81144%0.437SS*.  trans-120.343.7-177.7-63.5-71179.6142.1-1111I99R5-I99 PolarHBondContact N-O 3.37Å
6F68.2Low65.6Low12 Ų1277.9 Ų77.95%0.05342%0.416CS..SBendtrans-143.5148.9-179.372.7-89.1000113.3A4 F36 L85 K89 L98 I99 P101A4-F6 HydrophobicContact CB-CD1 4.13Å; A4-F6 HydrophobicContact CB-CE1 3.88Å; F6-F36 AromaticContact CD1-CE1 3.65Å; F6-F36 HydrophobicContact CD1-CE1 3.65Å; F6-F36 HydrophobicContact CD1-CZ 4.09Å; F6-F36 HydrophobicContact CD2-CE1 4.13Å; F6-F36 AromaticContact CD2-CZ 3.69Å; F6-F36 HydrophobicContact CD2-CZ 3.69Å; F6-F36 AromaticContact CE1-CE1 3.47Å; F6-F36 HydrophobicContact CE1-CE1 3.47Å; F6-F36 VanDerWaalsContact CE1-CE1 3.47Å; F6-F36 AromaticContact CE1-CZ 3.89Å; F6-F36 HydrophobicContact CE1-CZ 3.89Å; F6-F36 AromaticContact CE2-CE1 3.99Å; F6-F36 HydrophobicContact CE2-CE1 3.99Å; F6-F36 AromaticContact CE2-CZ 3.49Å; F6-F36 HydrophobicContact CE2-CZ 3.49Å; F6-F36 VanDerWaalsContact CE2-CZ 3.49Å; F6-F36 AromaticContact CG-CE1 3.97Å; F6-F36 HydrophobicContact CG-CE1 3.97Å; F6-F36 AromaticContact CG-CZ 3.99Å; F6-F36 HydrophobicContact CG-CZ 3.99Å; F6-F36 AromaticContact CZ-CE1 3.65Å; F6-F36 HydrophobicContact CZ-CE1 3.65Å; F6-F36 AromaticContact CZ-CZ 3.58Å; F6-F36 HydrophobicContact CZ-CZ 3.58Å; F6-L85 HydrophobicContact CE2-CB 3.94Å; F6-L85 HydrophobicContact CZ-CB 4.28Å; F6-K89 HydrophobicContact CE1-CD 4.36Å; F6-K89 HydrophobicContact CE1-CG 3.74Å; F6-K89 HydrophobicContact CE2-CG 4.4Å; F6-K89 HydrophobicContact CZ-CD 4.14Å; F6-K89 VanDerWaalsContact CZ-CE 3.46Å; F6-K89 HydrophobicContact CZ-CG 3.54Å; F6-K89 WeakPolarHBondContact O-CE 3.26Å; F6-K89 PolarHBondContact O-NZ 2.93Å; F6-L98 HydrophobicContact CE1-CB 3.7Å; F6-L98 HydrophobicContact CZ-CB 3.81Å; F6-L98 HydrophobicContact CZ-CD1 4.28Å; F6-I99 WeakPolarHBondContact CD1-O 2.93Å; F6-P101 HydrophobicContact CB-CG 4.22Å
7D70.7Confident66.4Low120 Ų12073.8 Ų73.864%0.64240%0.396SS*.  trans-87.8111.6175.3-74.2-75.6000110.7C9 D10D7-C9 PolarHBondContact O-N 3.33Å; D7-D10 HydrophobicContact CB-CB 4.12Å; D7-D10 PolarHBondContact O-N 2.76Å; D7-D10 VanDerWaalsContact O-N 3.12Å
8S73.8Confident67Low7 Ų776.6 Ų76.65%0.04942%0.419CS..THydrogen-bonded Turntrans-64.6-23.7178.8-55.40000112.1W14 P82 E86 K89S8-W14 WeakPolarHBondContact O-CZ2 3.48Å; S8-W14 PolarHBondContact O-NE1 3.43Å; S8-P82 VanDerWaalsContact CB-O 3.29Å; S8-P82 WeakPolarHBondContact CB-O 3.27Å; S8-P82 VanDerWaalsContact O-CB 3.26Å; S8-P82 WeakPolarHBondContact O-CB 3.34Å; S8-P82 WeakPolarHBondContact O-CG 3.49Å; S8-E86 PolarHBondContact OG-N 2.71Å; S8-K89 VanDerWaalsContact OG-CE 3.25Å; S8-K89 WeakPolarHBondContact OG-CE 3.49Å; S8-K89 PolarHBondContact OG-NZ 3.47Å
9C68.6Low67.6Low115 Ų11573.2 Ų73.278%0.77740%0.4SS*.THydrogen-bonded Turntrans-76-25.4177.5-154.70000112.3D7 R11D7-C9 PolarHBondContact O-N 3.33Å; C9-R11 VanDerWaalsContact C-N 3.34Å; C9-R11 PolarHBondContact O-N 2.82Å
10D70.8Confident68.3Low72 Ų7272.9 Ų72.939%0.38540%0.404SS..  trans-80.383.2-179.3-166.4-93.9000111.1D7 S12 A13 W14D7-D10 HydrophobicContact CB-CB 4.12Å; D7-D10 PolarHBondContact O-N 2.76Å; D7-D10 VanDerWaalsContact O-N 3.12Å; D10-S12 PolarHBondContact O-N 2.9Å; D10-S12 VanDerWaalsContact O-N 3.08Å; D10-S12 WeakPolarHBondContact OD1-CA 3.17Å; D10-S12 WeakPolarHBondContact OD1-CB 3.4Å; D10-S12 PolarHBondContact OD1-N 3Å; D10-A13 HydrophobicContact CB-CB 4.2Å; D10-A13 WeakPolarHBondContact O-CB 3.1Å; D10-A13 PolarHBondContact O-N 2.75Å; D10-A13 WeakPolarHBondContact OD1-CA 3.25Å; D10-A13 WeakPolarHBondContact OD1-CB 3.13Å; D10-A13 PolarHBondContact OD1-N 2.74Å; D10-W14 VanDerWaalsContact C-NE1 3.35Å; D10-W14 PolarHBondContact O-NE1 2.88Å
11R69.6Low68.8Low111 Ų11176.7 Ų76.742%0.41941%0.412SS..Hα-helixtrans-53.9-30175.9-171172.3-178.7141.41.5111.3C9 A13 W14 Y15 Y48C9-R11 VanDerWaalsContact C-N 3.34Å; C9-R11 PolarHBondContact O-N 2.82Å; R11-A13 PolarHBondContact O-N 3.03Å; R11-W14 HydrophobicContact CB-CH2 4.42Å; R11-W14 HydrophobicContact CB-CZ2 4.03Å; R11-W14 HydrophobicContact CG-CH2 4.03Å; R11-W14 HydrophobicContact CG-CZ2 4.15Å; R11-Y15 HydrophobicContact CG-CD1 4.12Å; R11-Y15 HydrophobicContact CG-CG 4.09Å; R11-Y15 WeakPolarHBondContact O-CA 3.32Å; R11-Y15 WeakPolarHBondContact O-CB 3.42Å; R11-Y15 PolarHBondContact O-N 3.37Å; R11-Y48 PolarHBondContact NH2-OH 2.74Å
12S67.4Low70.7Confident85 Ų8572.4 Ų72.459%0.59439%0.389SS*.Hα-helixtrans-73.6-4.9178.7-66.20000115D10 R104D10-S12 PolarHBondContact O-N 2.9Å; D10-S12 VanDerWaalsContact O-N 3.08Å; D10-S12 WeakPolarHBondContact OD1-CA 3.17Å; D10-S12 WeakPolarHBondContact OD1-CB 3.4Å; D10-S12 PolarHBondContact OD1-N 3Å; S12-R104 PolarHBondContact O-NE 3.25Å; S12-R104 VanDerWaalsContact O-NE 3.17Å; S12-R104 PolarHBondContact O-NH1 2.88Å; S12-R104 PolarHBondContact O-NH2 2.62Å
13A68.4Low72.4Confident25 Ų2572 Ų7221%0.20738%0.378CS..Hα-helixtrans-97.1-44.217600000110.9D10 R11 P101 R104D10-A13 HydrophobicContact CB-CB 4.2Å; D10-A13 WeakPolarHBondContact O-CB 3.1Å; D10-A13 PolarHBondContact O-N 2.75Å; D10-A13 WeakPolarHBondContact OD1-CA 3.25Å; D10-A13 WeakPolarHBondContact OD1-CB 3.13Å; D10-A13 PolarHBondContact OD1-N 2.74Å; R11-A13 PolarHBondContact O-N 3.03Å; A13-P101 HydrophobicContact CB-CG 4.13Å; A13-P101 WeakPolarHBondContact O-CB 3.36Å; A13-R104 PolarHBondContact O-NH1 2.88Å
14W81.1Confident73.7Confident3 Ų368.4 Ų68.41%0.01135%0.353CS..Hα-helixtrans-108.8-19.5-170.752-99.5000115S8 D10 R11 F16 F36 V38 L81 P82 L85 P101S8-W14 WeakPolarHBondContact O-CZ2 3.48Å; S8-W14 PolarHBondContact O-NE1 3.43Å; D10-W14 VanDerWaalsContact C-NE1 3.35Å; D10-W14 PolarHBondContact O-NE1 2.88Å; R11-W14 HydrophobicContact CB-CH2 4.42Å; R11-W14 HydrophobicContact CB-CZ2 4.03Å; R11-W14 HydrophobicContact CG-CH2 4.03Å; R11-W14 HydrophobicContact CG-CZ2 4.15Å; W14-F16 WeakPolarHBondContact O-CD2 3.43Å; W14-F36 HydrophobicContact CB-CE2 3.64Å; W14-F36 HydrophobicContact CB-CZ 4.05Å; W14-F36 HydrophobicContact CG-CE2 4.39Å; W14-V38 HydrophobicContact CE3-CB 3.66Å; W14-V38 HydrophobicContact CE3-CG1 4.42Å; W14-V38 HydrophobicContact CE3-CG2 3.5Å; W14-V38 VanDerWaalsContact CE3-CG2 3.5Å; W14-V38 HydrophobicContact CZ3-CB 3.93Å; W14-V38 HydrophobicContact CZ3-CG1 4.17Å; W14-V38 HydrophobicContact CZ3-CG2 3.92Å; W14-V38 PolarHBondContact O-N 3.02Å; W14-L81 HydrophobicContact CH2-CB 3.74Å; W14-L81 HydrophobicContact CH2-CD1 4.07Å; W14-L81 HydrophobicContact CZ3-CB 4.25Å; W14-L81 HydrophobicContact CZ3-CD1 4.14Å; W14-P82 HydrophobicContact CZ2-CG 4.39Å; W14-L85 HydrophobicContact CB-CD1 4.48Å; W14-L85 HydrophobicContact CD2-CD1 3.36Å; W14-L85 VanDerWaalsContact CE2-CD1 3.45Å; W14-L85 HydrophobicContact CE3-CD1 3.73Å; W14-L85 HydrophobicContact CG-CD1 3.7Å; W14-L85 HydrophobicContact CH2-CD1 4.27Å; W14-L85 HydrophobicContact CZ2-CD1 3.93Å; W14-L85 HydrophobicContact CZ3-CD1 4.16Å; W14-P101 HydrophobicContact CB-CB 3.97Å
15Y82.8Confident74.9Confident45 Ų4571 Ų7118%0.17636%0.362CS..BIsolated β-bridgetrans-94.4113.7-179.5-179.8-111.9000112.4R11 V38 Y48 R104R11-Y15 HydrophobicContact CG-CD1 4.12Å; R11-Y15 HydrophobicContact CG-CG 4.09Å; R11-Y15 WeakPolarHBondContact O-CA 3.32Å; R11-Y15 WeakPolarHBondContact O-CB 3.42Å; R11-Y15 PolarHBondContact O-N 3.37Å; Y15-V38 CarbonylContact C-O 3.52Å; Y15-V38 WeakPolarHBondContact CA-O 3.03Å; Y15-V38 HydrophobicContact CD2-CB 4.39Å; Y15-V38 HydrophobicContact CD2-CG1 4.16Å; Y15-Y48 HydrophobicContact CD2-CD1 4.3Å; Y15-Y48 HydrophobicContact CD2-CE1 4.3Å; Y15-Y48 AromaticContact CE2-CD1 3.64Å; Y15-Y48 HydrophobicContact CE2-CD1 3.64Å; Y15-Y48 AromaticContact CE2-CE1 3.48Å; Y15-Y48 HydrophobicContact CE2-CE1 3.48Å; Y15-Y48 VanDerWaalsContact CE2-CE1 3.48Å; Y15-Y48 AromaticContact CZ-CE1 3.95Å; Y15-R104 PolarHBondContact O-NH1 3.36Å; Y15-R104 PolarHBondContact O-NH2 2.78Å
16F78.3Confident75.6Confident23 Ų2365.8 Ų65.810%0.10135%0.351CS..  trans-95.7-0.1-173.9-81.9-117.7000113.7W14 V19 L37 V38 A102 P103 R104W14-F16 WeakPolarHBondContact O-CD2 3.43Å; F16-V19 HydrophobicContact CB-CB 4.23Å; F16-V19 HydrophobicContact CB-CG2 3.73Å; F16-V19 HydrophobicContact CD1-CG2 4.3Å; F16-L37 HydrophobicContact CD2-CB 3.63Å; F16-L37 HydrophobicContact CE2-CB 3.68Å; F16-L37 HydrophobicContact CG-CB 4.22Å; F16-L37 HydrophobicContact CG-CD1 4.47Å; F16-L37 HydrophobicContact CZ-CB 4.28Å; F16-V38 PolarHBondContact N-O 3.35Å; F16-A102 HydrophobicContact CE2-CB 4.44Å; F16-A102 HydrophobicContact CZ-CB 4.01Å; F16-A102 WeakPolarHBondContact CZ-O 3.48Å; F16-P103 WeakPolarHBondContact CE1-O 3.49Å; F16-P103 WeakPolarHBondContact CZ-O 3.23Å; F16-R104 HydrophobicContact CE1-CG 4.46Å; F16-R104 HydrophobicContact CE2-CG 4.49Å; F16-R104 HydrophobicContact CZ-CG 4.1Å
17G79Confident76.1Confident8 Ų867.1 Ų67.18%0.08236%0.355CS..SBendtrans66.6-140.1-17900000112.2V19 R39 D40G17-V19 PolarHBondContact O-N 2.83Å; G17-R39 WeakPolarHBondContact O-CA 3.43Å; G17-D40 PolarHBondContact O-N 2.81Å
18P77.2Confident76.7Confident124 Ų12461.4 Ų61.481%0.80533%0.325SS*.SBendtrans-77.258-172.734.7-37.2000112.5
19V78.4Confident76.8Confident11 Ų1165.9 Ų65.97%0.06735%0.345CS..  trans-86.3131.5173.7166.50000110.2F16 G17 E23 A24 R39F16-V19 HydrophobicContact CB-CB 4.23Å; F16-V19 HydrophobicContact CB-CG2 3.73Å; F16-V19 HydrophobicContact CD1-CG2 4.3Å; G17-V19 PolarHBondContact O-N 2.83Å; V19-E23 HydrophobicContact CG1-CB 3.95Å; V19-E23 HydrophobicContact CG1-CG 3.93Å; V19-A24 HydrophobicContact CG1-CB 4.07Å; V19-R39 HydrophobicContact CB-CB 4Å; V19-R39 WeakPolarHBondContact O-CD 3.49Å; V19-R39 PolarHBondContact O-NH1 2.74Å
20S80.5Confident76.7Confident68 Ų6863.8 Ų63.848%0.47634%0.342SS..  trans-71.9154.6177.7-72.40000111.7Q22 E23 A24S20-Q22 PolarHBondContact O-N 3.12Å; S20-E23 PolarHBondContact O-N 3.01Å; S20-E23 VanDerWaalsContact O-N 3.14Å; S20-A24 PolarHBondContact O-N 3.31Å
21R80.1Confident76.9Confident153 Ų15364.1 Ų64.158%0.57734%0.341SS*.Hα-helixtrans-51.5-44.3175.8-177.7-178.4176.3-177-2.3112.3A24 Q25R21-A24 PolarHBondContact O-N 3.33Å; R21-Q25 WeakPolarHBondContact O-CB 3.26Å; R21-Q25 PolarHBondContact O-N 2.78Å
22Q77.4Confident76.8Confident145 Ų14566.2 Ų66.268%0.67835%0.349SS*.Hα-helixtrans-68.4-36.9-177.6-169.6160.9-5.100112.5S20 Q25 N26S20-Q22 PolarHBondContact O-N 3.12Å; Q22-Q25 PolarHBondContact O-N 2.78Å; Q22-N26 PolarHBondContact O-N 2.89Å
23E76.7Confident77.3Confident78 Ų7866.6 Ų66.636%0.36434%0.342SS..Hα-helixtrans-69.8-42174.5177.4162.843.300111.7V19 S20 Q25 N26 R27V19-E23 HydrophobicContact CG1-CB 3.95Å; V19-E23 HydrophobicContact CG1-CG 3.93Å; S20-E23 PolarHBondContact O-N 3.01Å; S20-E23 VanDerWaalsContact O-N 3.14Å; E23-Q25 PolarHBondContact O-N 2.78Å; E23-N26 PolarHBondContact O-N 3Å; E23-R27 WeakPolarHBondContact O-CG 3.45Å; E23-R27 PolarHBondContact O-N 2.94Å; E23-R27 IonicContact OE2-CZ 2.93Å; E23-R27 IonicContact OE2-NE 3.68Å; E23-R27 IonicContact OE2-NH2 3.54Å; E23-R27 PolarHBondContact OE2-NH2 2.9Å
24A80.2Confident77.6Confident0 Ų065.4 Ų65.40%033%0.332CS..Hα-helixtrans-58.5-39.2173.100000112V19 S20 R21 L28 L37V19-A24 HydrophobicContact CG1-CB 4.07Å; S20-A24 PolarHBondContact O-N 3.31Å; R21-A24 PolarHBondContact O-N 3.33Å; A24-L28 WeakPolarHBondContact O-CB 2.69Å; A24-L28 PolarHBondContact O-N 3.12Å; A24-L28 VanDerWaalsContact O-N 3.16Å; A24-L37 HydrophobicContact CB-CD1 3.89Å; A24-L37 HydrophobicContact CB-CD2 4.32Å
25Q81.1Confident77.8Confident71 Ų7166 Ų6633%0.33234%0.335SS..Hα-helixtrans-64.1-50.3174.6-175176.2-36.100111.2R21 Q22 E23 R27 L28 Q29 V58R21-Q25 WeakPolarHBondContact O-CB 3.26Å; R21-Q25 PolarHBondContact O-N 2.78Å; Q22-Q25 PolarHBondContact O-N 2.78Å; E23-Q25 PolarHBondContact O-N 2.78Å; Q25-R27 PolarHBondContact O-N 3.34Å; Q25-L28 PolarHBondContact O-N 2.83Å; Q25-Q29 WeakPolarHBondContact O-CB 3.44Å; Q25-Q29 PolarHBondContact O-N 2.89Å; Q25-V58 HydrophobicContact CG-CB 4.34Å; Q25-V58 HydrophobicContact CG-CG2 4.21Å
26N78.4Confident78.1Confident106 Ų10663.8 Ų63.857%0.56733%0.326SS*.Hα-helixtrans-58.5-35.3179.3-74.3-10000113Q22 E23Q22-N26 PolarHBondContact O-N 2.89Å; E23-N26 PolarHBondContact O-N 3Å
27R77.9Confident78.5Confident40 Ų4062.7 Ų62.715%0.15132%0.321CS..Hα-helixtrans-76.2-32.6-180-69-168.7-170.7-153.57.4113.8E23 Q25 Q31 L37 R104E23-R27 WeakPolarHBondContact O-CG 3.45Å; E23-R27 PolarHBondContact O-N 2.94Å; E23-R27 IonicContact OE2-CZ 2.93Å; E23-R27 IonicContact OE2-NE 3.68Å; E23-R27 IonicContact OE2-NH2 3.54Å; E23-R27 PolarHBondContact OE2-NH2 2.9Å; Q25-R27 PolarHBondContact O-N 3.34Å; R27-Q31 WeakPolarHBondContact O-CG 3.19Å; R27-L37 HydrophobicContact CB-CD2 4.42Å; R27-R104 PolarHBondContact NH1-O 2.82Å
28L83.2Confident79Confident0 Ų062.3 Ų62.30%032%0.318CS..Hα-helixtrans-96.3-20.2-177.2-71.8172.7000113A24 Q25 G30 Q31 M35 L37 S51 S53 V58 A102A24-L28 WeakPolarHBondContact O-CB 2.69Å; A24-L28 PolarHBondContact O-N 3.12Å; A24-L28 VanDerWaalsContact O-N 3.16Å; Q25-L28 PolarHBondContact O-N 2.83Å; L28-G30 PolarHBondContact O-N 2.77Å; L28-Q31 VanDerWaalsContact O-CB 3.31Å; L28-Q31 WeakPolarHBondContact O-CB 3.38Å; L28-Q31 PolarHBondContact O-N 3.25Å; L28-Q31 VanDerWaalsContact O-N 3.1Å; L28-M35 HydrophobicContact CD2-CB 4.12Å; L28-M35 HydrophobicContact CD2-CG 3.83Å; L28-M35 WeakPolarHBondContact CD2-O 3.17Å; L28-L37 HydrophobicContact CD1-CD2 3.86Å; L28-L37 HydrophobicContact CD1-CG 3.95Å; L28-L37 HydrophobicContact CD2-CD2 4.43Å; L28-L37 HydrophobicContact CG-CD2 3.88Å; L28-L37 HydrophobicContact CG-CG 4.47Å; L28-S51 VanDerWaalsContact CD1-C 3.46Å; L28-S51 VanDerWaalsContact CD1-O 3.29Å; L28-S51 WeakPolarHBondContact CD1-O 3.46Å; L28-S53 WeakPolarHBondContact O-CB 3.5Å; L28-S53 PolarHBondContact O-OG 2.91Å; L28-V58 HydrophobicContact CB-CB 4.4Å; L28-V58 HydrophobicContact CB-CG1 3.9Å; L28-V58 HydrophobicContact CB-CG2 3.57Å; L28-V58 HydrophobicContact CD1-CG1 3.74Å; L28-V58 HydrophobicContact CG-CG1 4.5Å; L28-A102 HydrophobicContact CD2-CB 3.76Å
29Q75Confident79.3Confident101 Ų10157.1 Ų57.147%0.47228%0.282SS..THydrogen-bonded Turntrans-67.2126.8-179.4-173.9168.216.600110.5Q25 Q31 V58Q25-Q29 WeakPolarHBondContact O-CB 3.44Å; Q25-Q29 PolarHBondContact O-N 2.89Å; Q29-Q31 PolarHBondContact O-N 3.21Å; Q29-V58 HydrophobicContact CB-CG2 4.21Å
30G67.7Low79.4Confident70 Ų7058.9 Ų58.972%0.72229%0.291SS*.THydrogen-bonded Turntrans76.31.7-175.500000114.7L28L28-G30 PolarHBondContact O-N 2.77Å
31Q74.1Confident79.4Confident79 Ų7955.8 Ų55.837%0.36927%0.269SS..SBendtrans-81.5165.5173-60.9-56.6-55.700112R27 L28 Q29 H33 M35 S53R27-Q31 WeakPolarHBondContact O-CG 3.19Å; L28-Q31 VanDerWaalsContact O-CB 3.31Å; L28-Q31 WeakPolarHBondContact O-CB 3.38Å; L28-Q31 PolarHBondContact O-N 3.25Å; L28-Q31 VanDerWaalsContact O-N 3.1Å; Q29-Q31 PolarHBondContact O-N 3.21Å; Q31-H33 PolarHBondContact O-N 2.73Å; Q31-M35 HydrophobicContact CB-CB 4.39Å; Q31-M35 HydrophobicContact CB-SD 3.7Å; Q31-M35 HydrophobicContact CG-SD 3.87Å; Q31-S53 PolarHBondContact O-OG 2.85Å; Q31-S53 VanDerWaalsContact O-OG 3.04Å
32R68.8Low79.1Confident155 Ų15552.6 Ų52.659%0.58527%0.271SS*.PPolyproline II helixtrans-54.7139.1177.9-160.6-144.3-54.2-125.76.4111.1G34 M35 E100R32-G34 PolarHBondContact O-N 3.29Å; R32-M35 VanDerWaalsContact O-CB 3.26Å; R32-M35 WeakPolarHBondContact O-CB 3.24Å; R32-M35 PolarHBondContact O-N 2.76Å; R32-M35 VanDerWaalsContact O-N 3.13Å; R32-E100 IonicContact CZ-OE1 2.73Å; R32-E100 IonicContact NE-OE1 3.01Å; R32-E100 PolarHBondContact NE-OE1 3.46Å; R32-E100 IonicContact NH2-OE1 3.51Å; R32-E100 PolarHBondContact NH2-OE1 2.91Å; R32-E100 IonicContact NH2-OE2 2.68Å
33H77.9Confident78.9Confident93 Ų9351.3 Ų51.343%0.43127%0.272SS..THydrogen-bonded Turntrans-50.5134.2169.3-58.894.7000110.9Q31 M35 N55Q31-H33 PolarHBondContact O-N 2.73Å; H33-M35 VanDerWaalsContact C-N 3.34Å; H33-N55 PolarHBondContact CD2-N 3.05Å; H33-N55 VanDerWaalsContact CD2-N 3.33Å
34G73.6Confident78.8Confident0 Ų050.1 Ų50.10%027%0.272CS..THydrogen-bonded Turntrans84.42.8-17900000114.8R32 S53 T96 T97 I99 E100R32-G34 PolarHBondContact O-N 3.29Å; G34-S53 PolarHBondContact N-O 2.88Å; G34-T96 WeakPolarHBondContact CA-OG1 3.36Å; G34-T96 PolarHBondContact N-OG1 2.87Å; G34-T97 WeakPolarHBondContact CA-O 3.24Å; G34-I99 PolarHBondContact O-N 2.8Å; G34-E100 PolarHBondContact O-N 3.34Å
35M84.7Confident78.5Confident15 Ų1556.3 Ų56.37%0.07431%0.312CS..EExtended strand (participates in β ladder)trans-74.8135.7169.2-169.3169.3-8100110.3L28 Q31 R32 H33 V52 S53 E100 A102L28-M35 HydrophobicContact CD2-CB 4.12Å; L28-M35 HydrophobicContact CD2-CG 3.83Å; L28-M35 WeakPolarHBondContact CD2-O 3.17Å; Q31-M35 HydrophobicContact CB-CB 4.39Å; Q31-M35 HydrophobicContact CB-SD 3.7Å; Q31-M35 HydrophobicContact CG-SD 3.87Å; R32-M35 VanDerWaalsContact O-CB 3.26Å; R32-M35 WeakPolarHBondContact O-CB 3.24Å; R32-M35 PolarHBondContact O-N 2.76Å; R32-M35 VanDerWaalsContact O-N 3.13Å; H33-M35 VanDerWaalsContact C-N 3.34Å; M35-V52 CarbonylContact O-C 3.41Å; M35-V52 WeakPolarHBondContact O-CA 3.38Å; M35-S53 PolarHBondContact O-N 3.01Å; M35-E100 CarbonylContact C-O 3.49Å; M35-E100 VanDerWaalsContact CA-O 3.23Å; M35-E100 WeakPolarHBondContact CA-O 3.3Å; M35-E100 HydrophobicContact CB-CG 4.38Å; M35-E100 HydrophobicContact CE-CG 3.74Å; M35-E100 HydrophobicContact CG-CG 4.23Å; M35-A102 HydrophobicContact CG-CB 4.16Å; M35-A102 HydrophobicContact SD-CB 4.42Å
36F89.4Confident78.2Confident0 Ų054.9 Ų54.90%032%0.317CS..EExtended strand (participates in β ladder)trans-143161.5-173.474.8-84.6000114.4F6 W14 L50 S51 V52 L85 L98 E100 P101 A102F6-F36 AromaticContact CD1-CE1 3.65Å; F6-F36 HydrophobicContact CD1-CE1 3.65Å; F6-F36 HydrophobicContact CD1-CZ 4.09Å; F6-F36 HydrophobicContact CD2-CE1 4.13Å; F6-F36 AromaticContact CD2-CZ 3.69Å; F6-F36 HydrophobicContact CD2-CZ 3.69Å; F6-F36 AromaticContact CE1-CE1 3.47Å; F6-F36 HydrophobicContact CE1-CE1 3.47Å; F6-F36 VanDerWaalsContact CE1-CE1 3.47Å; F6-F36 AromaticContact CE1-CZ 3.89Å; F6-F36 HydrophobicContact CE1-CZ 3.89Å; F6-F36 AromaticContact CE2-CE1 3.99Å; F6-F36 HydrophobicContact CE2-CE1 3.99Å; F6-F36 AromaticContact CE2-CZ 3.49Å; F6-F36 HydrophobicContact CE2-CZ 3.49Å; F6-F36 VanDerWaalsContact CE2-CZ 3.49Å; F6-F36 AromaticContact CG-CE1 3.97Å; F6-F36 HydrophobicContact CG-CE1 3.97Å; F6-F36 AromaticContact CG-CZ 3.99Å; F6-F36 HydrophobicContact CG-CZ 3.99Å; F6-F36 AromaticContact CZ-CE1 3.65Å; F6-F36 HydrophobicContact CZ-CE1 3.65Å; F6-F36 AromaticContact CZ-CZ 3.58Å; F6-F36 HydrophobicContact CZ-CZ 3.58Å; W14-F36 HydrophobicContact CB-CE2 3.64Å; W14-F36 HydrophobicContact CB-CZ 4.05Å; W14-F36 HydrophobicContact CG-CE2 4.39Å; F36-L50 HydrophobicContact CB-CD1 3.98Å; F36-L50 HydrophobicContact CD2-CD1 3.48Å; F36-L50 VanDerWaalsContact CD2-CD1 3.48Å; F36-L50 HydrophobicContact CE2-CD1 4.37Å; F36-L50 HydrophobicContact CG-CD1 4.08Å; F36-S51 CarbonylContact C-O 3.58Å; F36-S51 WeakPolarHBondContact CA-O 3.42Å; F36-S51 WeakPolarHBondContact CB-O 3.35Å; F36-V52 HydrophobicContact CB-CB 4.36Å; F36-V52 HydrophobicContact CB-CG1 4.32Å; F36-V52 HydrophobicContact CB-CG2 3.89Å; F36-L85 HydrophobicContact CD2-CD2 4.19Å; F36-L85 HydrophobicContact CE2-CD1 4.19Å; F36-L85 HydrophobicContact CE2-CD2 3.61Å; F36-L85 HydrophobicContact CE2-CG 4.49Å; F36-L85 HydrophobicContact CZ-CD2 4.27Å; F36-L98 HydrophobicContact CB-CD2 3.78Å; F36-L98 HydrophobicContact CD1-CB 3.93Å; F36-L98 HydrophobicContact CD1-CD2 3.82Å; F36-L98 HydrophobicContact CD1-CG 4.31Å; F36-L98 HydrophobicContact CD2-CD2 4.32Å; F36-L98 HydrophobicContact CE1-CB 3.97Å; F36-L98 HydrophobicContact CG-CD2 3.71Å; F36-E100 WeakPolarHBondContact CD1-O 3.43Å; F36-E100 VanDerWaalsContact CE1-C 3.44Å; F36-E100 WeakPolarHBondContact CE1-O 3.37Å; F36-E100 PolarHBondContact N-O 2.85Å; F36-P101 HydrophobicContact CZ-CB 4.45Å; F36-P101 CarbonylContact O-C 3.55Å; F36-P101 WeakPolarHBondContact O-CA 3.27Å; F36-A102 PolarHBondContact O-N 3.1Å
37L88.1Confident78.5Confident0 Ų051 Ų510%030%0.296CS..EExtended strand (participates in β ladder)trans-145.5148.8168.163.791.1000110.5F16 A24 R27 L28 R39 S51 A102F16-L37 HydrophobicContact CD2-CB 3.63Å; F16-L37 HydrophobicContact CE2-CB 3.68Å; F16-L37 HydrophobicContact CG-CB 4.22Å; F16-L37 HydrophobicContact CG-CD1 4.47Å; F16-L37 HydrophobicContact CZ-CB 4.28Å; A24-L37 HydrophobicContact CB-CD1 3.89Å; A24-L37 HydrophobicContact CB-CD2 4.32Å; R27-L37 HydrophobicContact CB-CD2 4.42Å; L28-L37 HydrophobicContact CD1-CD2 3.86Å; L28-L37 HydrophobicContact CD1-CG 3.95Å; L28-L37 HydrophobicContact CD2-CD2 4.43Å; L28-L37 HydrophobicContact CG-CD2 3.88Å; L28-L37 HydrophobicContact CG-CG 4.47Å; L37-R39 HydrophobicContact CD1-CB 4.05Å; L37-R39 HydrophobicContact CD1-CG 4.37Å; L37-S51 PolarHBondContact N-O 3.04Å; L37-S51 PolarHBondContact O-N 3.02Å; L37-A102 HydrophobicContact CB-CB 4Å; L37-A102 HydrophobicContact CD2-CB 3.82Å; L37-A102 HydrophobicContact CG-CB 4.47Å
38V88Confident78.9Confident0 Ų050.8 Ų50.80%030%0.295CS..EExtended strand (participates in β ladder)trans-104.1128172-174.90000108.4W14 Y15 F16 Y48 V49 L50 L85W14-V38 HydrophobicContact CE3-CB 3.66Å; W14-V38 HydrophobicContact CE3-CG1 4.42Å; W14-V38 HydrophobicContact CE3-CG2 3.5Å; W14-V38 VanDerWaalsContact CE3-CG2 3.5Å; W14-V38 HydrophobicContact CZ3-CB 3.93Å; W14-V38 HydrophobicContact CZ3-CG1 4.17Å; W14-V38 HydrophobicContact CZ3-CG2 3.92Å; W14-V38 PolarHBondContact O-N 3.02Å; Y15-V38 CarbonylContact C-O 3.52Å; Y15-V38 WeakPolarHBondContact CA-O 3.03Å; Y15-V38 HydrophobicContact CD2-CB 4.39Å; Y15-V38 HydrophobicContact CD2-CG1 4.16Å; F16-V38 PolarHBondContact N-O 3.35Å; V38-Y48 HydrophobicContact CG1-CD1 4.24Å; V38-V49 WeakPolarHBondContact CA-O 3.46Å; V38-L50 HydrophobicContact CG2-CD1 3.93Å; V38-L85 HydrophobicContact CG2-CD2 4.14Å
39R84.9Confident79.2Confident14 Ų1451 Ų515%0.05330%0.297CS..EExtended strand (participates in β ladder)trans-126164.6178.466.4-169.4-172.8745.6110.5G17 V19 L37 Y48 V49 S51G17-R39 WeakPolarHBondContact O-CA 3.43Å; V19-R39 HydrophobicContact CB-CB 4Å; V19-R39 WeakPolarHBondContact O-CD 3.49Å; V19-R39 PolarHBondContact O-NH1 2.74Å; L37-R39 HydrophobicContact CD1-CB 4.05Å; L37-R39 HydrophobicContact CD1-CG 4.37Å; R39-Y48 CarbonylContact O-C 3.59Å; R39-Y48 WeakPolarHBondContact O-CA 3.47Å; R39-V49 HydrophobicContact CG-CB 3.97Å; R39-V49 PolarHBondContact N-O 3.2Å; R39-V49 PolarHBondContact O-N 3.49Å; R39-S51 PolarHBondContact NE-OG 3.17Å
40D79.7Confident79.8Confident49 Ų4946.2 Ų46.226%0.26227%0.274SS..EExtended strand (participates in β ladder)trans-67144170.5-149.2-99.2000110.9G17 S42G17-D40 PolarHBondContact O-N 2.81Å; D40-S42 PolarHBondContact O-N 3.16Å
41S81.1Confident80.8Confident3 Ų342.9 Ų42.92%0.02124%0.24CC..  trans-78.4110177.5-177.40000110.5T43 C44 D47S41-T43 PolarHBondContact O-N 3.12Å; S41-T43 PolarHBondContact OG-OG1 3.14Å; S41-C44 WeakPolarHBondContact CB-O 3.45Å; S41-C44 CarbonylContact O-C 3.44Å; S41-C44 PolarHBondContact O-N 3.19Å; S41-C44 PolarHBondContact OG-N 2.93Å; S41-D47 VanDerWaalsContact CB-C 3.49Å; S41-D47 WeakPolarHBondContact CB-O 3.04Å; S41-D47 PolarHBondContact N-O 2.78Å
42S73.2Confident81.5Confident86 Ų8639.1 Ų39.160%0.60122%0.222SC*.SBendtrans-64.9-18.6177.4-43.30000113.6D40D40-S42 PolarHBondContact O-N 3.16Å
43T73.9Confident82.3Confident117 Ų11731.8 Ų31.872%0.71820%0.195SC*.SBendtrans-95.8-27.7-178.246.70000113S41S41-T43 PolarHBondContact O-N 3.12Å; S41-T43 PolarHBondContact OG-OG1 3.14Å
44C73.8Confident82.4Confident54 Ų5427.3 Ų27.337%0.36517%0.174SC..SBendtrans-138.4107.1-176.6-58.50000110.2S41 G46 D47S41-C44 WeakPolarHBondContact CB-O 3.45Å; S41-C44 CarbonylContact O-C 3.44Å; S41-C44 PolarHBondContact O-N 3.19Å; S41-C44 PolarHBondContact OG-N 2.93Å; C44-G46 PolarHBondContact O-N 3.4Å; C44-D47 HydrophobicContact CB-CB 4.07Å; C44-D47 WeakPolarHBondContact CB-OD2 3.21Å; C44-D47 PolarHBondContact O-N 3.19Å; C44-D47 VanDerWaalsContact O-N 3.15Å
45P73.6Confident82.1Confident129 Ų12931.3 Ų31.384%0.83820%0.196SC*.THydrogen-bonded Turntrans-65.9125.3-177.125.9-32.7000110.9
46G74.2Confident81.4Confident41 Ų4135.2 Ų35.242%0.42322%0.224SC..THydrogen-bonded Turntrans101-14-176.600000114.3C44 Y48 S65C44-G46 PolarHBondContact O-N 3.4Å; G46-Y48 WeakPolarHBondContact O-CE2 3.07Å; G46-S65 VanDerWaalsContact O-CB 3.26Å; G46-S65 WeakPolarHBondContact O-CB 3.32Å
47D85.7Confident80.9Confident25 Ų2540.4 Ų40.413%0.13425%0.247CC..  trans-89.3158.7170.5-62.7-49.2000111.2S41 C44 N64 S65S41-D47 VanDerWaalsContact CB-C 3.49Å; S41-D47 WeakPolarHBondContact CB-O 3.04Å; S41-D47 PolarHBondContact N-O 2.78Å; C44-D47 HydrophobicContact CB-CB 4.07Å; C44-D47 WeakPolarHBondContact CB-OD2 3.21Å; C44-D47 PolarHBondContact O-N 3.19Å; C44-D47 VanDerWaalsContact O-N 3.15Å; D47-N64 WeakPolarHBondContact OD1-CA 3.15Å; D47-S65 PolarHBondContact OD1-N 2.81Å
48Y86.6Confident80.7Confident35 Ų3541.4 Ų41.414%0.13725%0.253CS..EExtended strand (participates in β ladder)trans-117.7158.8-179.8-61.2-94.3000109.9R11 Y15 V38 R39 G46 I63 F71 L81R11-Y48 PolarHBondContact NH2-OH 2.74Å; Y15-Y48 HydrophobicContact CD2-CD1 4.3Å; Y15-Y48 HydrophobicContact CD2-CE1 4.3Å; Y15-Y48 AromaticContact CE2-CD1 3.64Å; Y15-Y48 HydrophobicContact CE2-CD1 3.64Å; Y15-Y48 AromaticContact CE2-CE1 3.48Å; Y15-Y48 HydrophobicContact CE2-CE1 3.48Å; Y15-Y48 VanDerWaalsContact CE2-CE1 3.48Å; Y15-Y48 AromaticContact CZ-CE1 3.95Å; V38-Y48 HydrophobicContact CG1-CD1 4.24Å; R39-Y48 CarbonylContact O-C 3.59Å; R39-Y48 WeakPolarHBondContact O-CA 3.47Å; G46-Y48 WeakPolarHBondContact O-CE2 3.07Å; Y48-I63 PolarHBondContact N-O 2.9Å; Y48-I63 CarbonylContact O-C 3.57Å; Y48-I63 WeakPolarHBondContact O-CA 3.32Å; Y48-I63 WeakPolarHBondContact O-CB 3.37Å; Y48-I63 PolarHBondContact O-N 3.02Å; Y48-I63 VanDerWaalsContact O-O 3.11Å; Y48-F71 HydrophobicContact CD2-CD1 4.22Å; Y48-F71 AromaticContact CD2-CE1 3.84Å; Y48-F71 HydrophobicContact CD2-CE1 3.84Å; Y48-F71 HydrophobicContact CE2-CD1 4.47Å; Y48-F71 AromaticContact CE2-CE1 3.65Å; Y48-F71 HydrophobicContact CE2-CE1 3.65Å; Y48-L81 HydrophobicContact CD1-CD1 4.05Å; Y48-L81 HydrophobicContact CD2-CD1 4.24Å; Y48-L81 HydrophobicContact CE1-CD1 4.08Å; Y48-L81 HydrophobicContact CE2-CD1 4.32Å; Y48-L81 HydrophobicContact CG-CD1 4.11Å; Y48-L81 HydrophobicContact CG-CD2 4.46Å
49V88.5Confident80.6Confident5 Ų542.1 Ų42.13%0.0326%0.258CS..EExtended strand (participates in β ladder)trans-129.3122.9174.3-176.50000109.1V38 R39 H60 Y61V38-V49 WeakPolarHBondContact CA-O 3.46Å; R39-V49 HydrophobicContact CG-CB 3.97Å; R39-V49 PolarHBondContact N-O 3.2Å; R39-V49 PolarHBondContact O-N 3.49Å; V49-H60 HydrophobicContact CG1-CB 4Å; V49-Y61 CarbonylContact C-O 3.58Å; V49-Y61 WeakPolarHBondContact CA-O 3.23Å
50L89.4Confident80.7Confident0 Ų043.7 Ų43.70%027%0.266CS..EExtended strand (participates in β ladder)trans-88.5112.6170.5172.962.4000108.7F36 V38 V52 Y61 I63 I73 L84 L85 L93 L98F36-L50 HydrophobicContact CB-CD1 3.98Å; F36-L50 HydrophobicContact CD2-CD1 3.48Å; F36-L50 VanDerWaalsContact CD2-CD1 3.48Å; F36-L50 HydrophobicContact CE2-CD1 4.37Å; F36-L50 HydrophobicContact CG-CD1 4.08Å; V38-L50 HydrophobicContact CG2-CD1 3.93Å; L50-V52 HydrophobicContact CD1-CG2 4.09Å; L50-V52 HydrophobicContact CD2-CG2 4.32Å; L50-V52 HydrophobicContact CG-CG2 3.81Å; L50-Y61 PolarHBondContact N-O 3.3Å; L50-Y61 PolarHBondContact O-N 2.79Å; L50-I63 HydrophobicContact CB-CD1 3.74Å; L50-I63 HydrophobicContact CB-CG1 4.29Å; L50-I73 HydrophobicContact CD2-CD1 3.96Å; L50-L84 HydrophobicContact CD2-CD2 4.21Å; L50-L85 HydrophobicContact CD1-CD2 4.18Å; L50-L93 HydrophobicContact CD2-CD2 3.8Å; L50-L98 HydrophobicContact CD1-CD2 4.37Å; L50-L98 HydrophobicContact CD2-CD1 4.33Å; L50-L98 HydrophobicContact CD2-CD2 4.31Å
51S88.1Confident80.9Confident0 Ų043.4 Ų43.40%026%0.262CS..EExtended strand (participates in β ladder)trans-101.1130.1175.4-52.40000108.8L28 F36 L37 R39 S59 H60L28-S51 VanDerWaalsContact CD1-C 3.46Å; L28-S51 VanDerWaalsContact CD1-O 3.29Å; L28-S51 WeakPolarHBondContact CD1-O 3.46Å; F36-S51 CarbonylContact C-O 3.58Å; F36-S51 WeakPolarHBondContact CA-O 3.42Å; F36-S51 WeakPolarHBondContact CB-O 3.35Å; L37-S51 PolarHBondContact N-O 3.04Å; L37-S51 PolarHBondContact O-N 3.02Å; R39-S51 PolarHBondContact NE-OG 3.17Å; S51-S59 CarbonylContact C-O 3.58Å; S51-S59 VanDerWaalsContact CA-O 3.31Å; S51-S59 WeakPolarHBondContact CA-O 3.16Å; S51-H60 PolarHBondContact OG-ND1 3.08Å
52V88.2Confident81.2Confident0 Ų047.6 Ų47.60%028%0.283CS..EExtended strand (participates in β ladder)trans-131.6135.3-174.6-171.30000109.8M35 F36 L50 V58 S59 Y61 L93 T96 L98M35-V52 CarbonylContact O-C 3.41Å; M35-V52 WeakPolarHBondContact O-CA 3.38Å; F36-V52 HydrophobicContact CB-CB 4.36Å; F36-V52 HydrophobicContact CB-CG1 4.32Å; F36-V52 HydrophobicContact CB-CG2 3.89Å; L50-V52 HydrophobicContact CD1-CG2 4.09Å; L50-V52 HydrophobicContact CD2-CG2 4.32Å; L50-V52 HydrophobicContact CG-CG2 3.81Å; V52-V58 CarbonylContact O-C 3.58Å; V52-V58 WeakPolarHBondContact O-CA 3.48Å; V52-S59 PolarHBondContact N-O 2.85Å; V52-S59 PolarHBondContact O-N 2.75Å; V52-Y61 HydrophobicContact CB-CE2 4.34Å; V52-Y61 HydrophobicContact CG2-CD2 4.16Å; V52-Y61 HydrophobicContact CG2-CE2 4.05Å; V52-L93 HydrophobicContact CG2-CD2 4.11Å; V52-T96 HydrophobicContact CG1-CG2 3.67Å; V52-L98 HydrophobicContact CG1-CD2 4.33Å; V52-L98 HydrophobicContact CG2-CD2 3.84Å
53S85.8Confident81.8Confident1 Ų143.5 Ų43.51%0.00725%0.254CS..EExtended strand (participates in β ladder)trans-78.3118.6169.9-177.80000110.1L28 Q31 G34 M35L28-S53 WeakPolarHBondContact O-CB 3.5Å; L28-S53 PolarHBondContact O-OG 2.91Å; Q31-S53 PolarHBondContact O-OG 2.85Å; Q31-S53 VanDerWaalsContact O-OG 3.04Å; G34-S53 PolarHBondContact N-O 2.88Å; M35-S53 PolarHBondContact O-N 3.01Å
54E79.6Confident82.5Confident0 Ų041.1 Ų41.10%024%0.237CC..EExtended strand (participates in β ladder)trans-151.6133.9-174-172.4-170.172.200111.2S56 K57 S59 D94 T95 T96E54-S56 VanDerWaalsContact C-N 3.28Å; E54-S56 PolarHBondContact O-N 3.06Å; E54-K57 CarbonylContact C-O 3.59Å; E54-K57 PolarHBondContact N-O 2.8Å; E54-K57 CarbonylContact O-C 3.56Å; E54-K57 WeakPolarHBondContact O-CA 3.44Å; E54-K57 WeakPolarHBondContact O-CG 3.41Å; E54-K57 PolarHBondContact O-N 2.67Å; E54-S59 PolarHBondContact OE1-OG 2.84Å; E54-D94 WeakPolarHBondContact OE1-CB 3.37Å; E54-D94 WeakPolarHBondContact OE2-CB 3.42Å; E54-T95 WeakPolarHBondContact CG-OG1 3.11Å; E54-T95 PolarHBondContact OE2-N 3.23Å; E54-T95 PolarHBondContact OE2-OG1 3.37Å; E54-T96 HydrophobicContact CB-CG2 3.91Å; E54-T96 HydrophobicContact CG-CG2 3.78Å; E54-T96 PolarHBondContact OE2-N 3.16Å
55N68.6Low82.9Confident84 Ų8441 Ų4145%0.44924%0.237SC..THydrogen-bonded Turntrans47.643.2-179.7-59.8-57.5000114.6H33 K57 T95H33-N55 PolarHBondContact CD2-N 3.05Å; H33-N55 VanDerWaalsContact CD2-N 3.33Å; N55-K57 PolarHBondContact O-N 2.89Å; N55-T95 WeakPolarHBondContact ND2-CG2 3.42Å; N55-T95 PolarHBondContact ND2-OG1 3.2Å
56S69.4Low83.5Confident96 Ų9637.2 Ų37.267%0.67121%0.209SC*.THydrogen-bonded Turntrans60.511.6-175.6-51.80000115.4E54E54-S56 VanDerWaalsContact C-N 3.28Å; E54-S56 PolarHBondContact O-N 3.06Å
57K79.6Confident83.8Confident109 Ų10941.6 Ų41.647%0.47423%0.23SC..EExtended strand (participates in β ladder)trans-119.6168.2171.660.9172.1-177.1178.30110E54 N55E54-K57 CarbonylContact C-O 3.59Å; E54-K57 PolarHBondContact N-O 2.8Å; E54-K57 CarbonylContact O-C 3.56Å; E54-K57 WeakPolarHBondContact O-CA 3.44Å; E54-K57 WeakPolarHBondContact O-CG 3.41Å; E54-K57 PolarHBondContact O-N 2.67Å; N55-K57 PolarHBondContact O-N 2.89Å
58V83.2Confident83.7Confident21 Ų2144.9 Ų44.913%0.12726%0.255CS..EExtended strand (participates in β ladder)trans-107.6115.4172.9-175.80000108.1Q25 L28 Q29 V52Q25-V58 HydrophobicContact CG-CB 4.34Å; Q25-V58 HydrophobicContact CG-CG2 4.21Å; L28-V58 HydrophobicContact CB-CB 4.4Å; L28-V58 HydrophobicContact CB-CG1 3.9Å; L28-V58 HydrophobicContact CB-CG2 3.57Å; L28-V58 HydrophobicContact CD1-CG1 3.74Å; L28-V58 HydrophobicContact CG-CG1 4.5Å; Q29-V58 HydrophobicContact CB-CG2 4.21Å; V52-V58 CarbonylContact O-C 3.58Å; V52-V58 WeakPolarHBondContact O-CA 3.48Å
59S85.8Confident83.2Confident16 Ų1651.7 Ų51.711%0.11229%0.285CS..EExtended strand (participates in β ladder)trans-89138.8175.4-66.70000109.3S51 V52 E54S51-S59 CarbonylContact C-O 3.58Å; S51-S59 VanDerWaalsContact CA-O 3.31Å; S51-S59 WeakPolarHBondContact CA-O 3.16Å; V52-S59 PolarHBondContact N-O 2.85Å; V52-S59 PolarHBondContact O-N 2.75Å; E54-S59 PolarHBondContact OE1-OG 2.84Å
60H86.8Confident83Confident47 Ų4755.9 Ų55.922%0.21830%0.303CS..EExtended strand (participates in β ladder)trans-121.7117.2-180-55.3-82.3000110V49 S51V49-H60 HydrophobicContact CG1-CB 4Å; S51-H60 PolarHBondContact OG-ND1 3.08Å
61Y85.1Confident82.8Confident43 Ų4357.2 Ų57.217%0.16931%0.309CS..EExtended strand (participates in β ladder)trans-108.3124.6-179.8-55.4-91.2000109.9V49 L50 V52 I73 L93 D94V49-Y61 CarbonylContact C-O 3.58Å; V49-Y61 WeakPolarHBondContact CA-O 3.23Å; L50-Y61 PolarHBondContact N-O 3.3Å; L50-Y61 PolarHBondContact O-N 2.79Å; V52-Y61 HydrophobicContact CB-CE2 4.34Å; V52-Y61 HydrophobicContact CG2-CD2 4.16Å; V52-Y61 HydrophobicContact CG2-CE2 4.05Å; Y61-I73 HydrophobicContact CG-CD1 4.32Å; Y61-L93 HydrophobicContact CD1-CD2 4.07Å; Y61-L93 HydrophobicContact CD2-CD2 3.33Å; Y61-L93 HydrophobicContact CE1-CB 4.05Å; Y61-L93 HydrophobicContact CE1-CD2 4.04Å; Y61-L93 HydrophobicContact CE2-CB 4.07Å; Y61-L93 HydrophobicContact CE2-CD2 3.3Å; Y61-L93 HydrophobicContact CE2-CG 4.32Å; Y61-L93 HydrophobicContact CG-CD2 3.73Å; Y61-D94 WeakPolarHBondContact OH-CB 3.16Å
62I86Confident82.6Confident91 Ų9159.9 Ų59.947%0.46732%0.321SS..EExtended strand (participates in β ladder)trans-78.3128.8179.5-58.6172.8000108.6
63I87.2Confident82.5Confident0 Ų060.1 Ų60.10%032%0.322CS..EExtended strand (participates in β ladder)trans-110.1104.7173.5-54.8170.2000107.4Y48 L50 F71 K72 I73 L81 L84Y48-I63 PolarHBondContact N-O 2.9Å; Y48-I63 CarbonylContact O-C 3.57Å; Y48-I63 WeakPolarHBondContact O-CA 3.32Å; Y48-I63 WeakPolarHBondContact O-CB 3.37Å; Y48-I63 PolarHBondContact O-N 3.02Å; Y48-I63 VanDerWaalsContact O-O 3.11Å; L50-I63 HydrophobicContact CB-CD1 3.74Å; L50-I63 HydrophobicContact CB-CG1 4.29Å; I63-F71 HydrophobicContact CG2-CB 3.81Å; I63-F71 HydrophobicContact CG2-CD1 4.04Å; I63-F71 HydrophobicContact CG2-CG 4.37Å; I63-K72 CarbonylContact C-O 3.59Å; I63-K72 WeakPolarHBondContact CA-O 3.46Å; I63-I73 HydrophobicContact CG1-CB 4.17Å; I63-I73 HydrophobicContact CG1-CD1 4.1Å; I63-I73 HydrophobicContact CG1-CG1 4.35Å; I63-L81 HydrophobicContact CD1-CD2 3.85Å; I63-L81 HydrophobicContact CG2-CD2 3.86Å; I63-L84 HydrophobicContact CD1-CD1 3.99Å; I63-L84 HydrophobicContact CD1-CD2 4.3Å; I63-L84 HydrophobicContact CG1-CD1 4.06Å; I63-L84 HydrophobicContact CG2-CD1 3.89Å
64N86.9Confident82.4Confident67 Ų6763.1 Ų63.136%0.35835%0.353SS..EExtended strand (participates in β ladder)trans-80.1134.8179.1-57.3-83.5000110.2D47 F71 K72D47-N64 WeakPolarHBondContact OD1-CA 3.15Å; N64-F71 CarbonylContact O-C 3.49Å; N64-F71 WeakPolarHBondContact O-CA 3.37Å; N64-K72 PolarHBondContact N-O 2.78Å; N64-K72 PolarHBondContact O-N 3.27Å
65S83.9Confident82.5Confident51 Ų5169.2 Ų69.236%0.35739%0.385SS..EExtended strand (participates in β ladder)trans-89113.8171.4-166.20000109.8G46 D47G46-S65 VanDerWaalsContact O-CB 3.26Å; G46-S65 WeakPolarHBondContact O-CB 3.32Å; D47-S65 PolarHBondContact OD1-N 2.81Å
66L85.4Confident83.1Confident49 Ų4969.1 Ų69.126%0.25738%0.382SS..  trans-80.7148.8178.1-66.1165.9000110.4S68 K69 K70 K72 E77L66-S68 PolarHBondContact O-N 3.49Å; L66-K69 PolarHBondContact O-N 3.2Å; L66-K70 HydrophobicContact CB-CB 4.31Å; L66-K70 WeakPolarHBondContact CB-O 3.1Å; L66-K70 HydrophobicContact CD1-CB 4.04Å; L66-K70 PolarHBondContact N-O 2.91Å; L66-K72 HydrophobicContact CD1-CB 4.12Å; L66-K72 HydrophobicContact CG-CB 4.45Å; L66-E77 HydrophobicContact CD1-CG 4.47Å; L66-E77 WeakPolarHBondContact CD1-OE1 3.48Å
67P80.6Confident84Confident133 Ų13370.3 Ų70.386%0.86438%0.377SS*.THydrogen-bonded Turntrans-59.2-22179.822-33000113.6K69P67-K69 PolarHBondContact O-N 3.16Å; P67-K69 VanDerWaalsContact O-N 3.16Å
68S82.3Confident84.3Confident94 Ų9466 Ų6666%0.65736%0.359SS*.THydrogen-bonded Turntrans-76.214.2173.6-48.30000114.3L66 K70L66-S68 PolarHBondContact O-N 3.49Å; S68-K70 PolarHBondContact O-N 3.12Å
69K78Confident84.3Confident178 Ų17871.9 Ų71.977%0.77439%0.385SS*.SBendtrans59.820.3-171.9-62.6-174.1175.9179.60115L66 P67L66-K69 PolarHBondContact O-N 3.2Å; P67-K69 PolarHBondContact O-N 3.16Å; P67-K69 VanDerWaalsContact O-N 3.16Å
70K83.9Confident84.2Confident93 Ų9374.3 Ų74.340%0.40440%0.397SS..  trans-95.9163.8175-67.2-170.8178.2-174.50110.7L66 S68 F78L66-K70 HydrophobicContact CB-CB 4.31Å; L66-K70 WeakPolarHBondContact CB-O 3.1Å; L66-K70 HydrophobicContact CD1-CB 4.04Å; L66-K70 PolarHBondContact N-O 2.91Å; S68-K70 PolarHBondContact O-N 3.12Å; K70-F78 CarbonylContact C-O 3.51Å; K70-F78 WeakPolarHBondContact CA-O 3.17Å; K70-F78 WeakPolarHBondContact CB-O 3.39Å
71F85Confident83.9Confident29 Ų2972.4 Ų72.413%0.12739%0.388CS..EExtended strand (participates in β ladder)trans-122.8131.5-179.1-62.7-88.5000110.4Y48 I63 N64 F78 N80 L81Y48-F71 HydrophobicContact CD2-CD1 4.22Å; Y48-F71 AromaticContact CD2-CE1 3.84Å; Y48-F71 HydrophobicContact CD2-CE1 3.84Å; Y48-F71 HydrophobicContact CE2-CD1 4.47Å; Y48-F71 AromaticContact CE2-CE1 3.65Å; Y48-F71 HydrophobicContact CE2-CE1 3.65Å; I63-F71 HydrophobicContact CG2-CB 3.81Å; I63-F71 HydrophobicContact CG2-CD1 4.04Å; I63-F71 HydrophobicContact CG2-CG 4.37Å; N64-F71 CarbonylContact O-C 3.49Å; N64-F71 WeakPolarHBondContact O-CA 3.37Å; F71-F78 PolarHBondContact N-O 2.79Å; F71-F78 PolarHBondContact O-N 3.33Å; F71-N80 VanDerWaalsContact CD2-CA 3.49Å; F71-L81 HydrophobicContact CD1-CD2 3.95Å; F71-L81 HydrophobicContact CD1-CG 4.02Å; F71-L81 HydrophobicContact CD2-CG 4.46Å; F71-L81 HydrophobicContact CE1-CD1 4.33Å; F71-L81 HydrophobicContact CE1-CD2 4.36Å; F71-L81 HydrophobicContact CE1-CG 4.01Å; F71-L81 HydrophobicContact CE2-CG 4.45Å; F71-L81 HydrophobicContact CG-CD2 4.23Å; F71-L81 HydrophobicContact CG-CG 4.23Å; F71-L81 HydrophobicContact CZ-CG 4.22Å
72K83.3Confident83.8Confident56 Ų5672.1 Ų72.124%0.24339%0.391CS..EExtended strand (participates in β ladder)trans-118.1126.9179.8-178.9171.4177.8162.40111.4I63 N64 L66 G74 D75 Q76 E77I63-K72 CarbonylContact C-O 3.59Å; I63-K72 WeakPolarHBondContact CA-O 3.46Å; N64-K72 PolarHBondContact N-O 2.78Å; N64-K72 PolarHBondContact O-N 3.27Å; L66-K72 HydrophobicContact CD1-CB 4.12Å; L66-K72 HydrophobicContact CG-CB 4.45Å; K72-G74 WeakPolarHBondContact CE-O 3.41Å; K72-D75 IonicContact NZ-OD2 3.41Å; K72-D75 PolarHBondContact NZ-OD2 2.87Å; K72-Q76 CarbonylContact C-O 3.57Å; K72-Q76 VanDerWaalsContact CA-O 3.32Å; K72-Q76 WeakPolarHBondContact CA-O 3.36Å; K72-Q76 WeakPolarHBondContact CG-O 3.43Å; K72-E77 HydrophobicContact CB-CG 4.18Å; K72-E77 HydrophobicContact CD-CG 4.03Å; K72-E77 HydrophobicContact CG-CG 4.04Å
73I86.5Confident83.5Confident4 Ų469.2 Ų69.22%0.02138%0.381CS..EExtended strand (participates in β ladder)trans-124.6122.5174.7179.5174.2000109.2L50 Y61 I63 D75 Q76 F78 L84 Y88L50-I73 HydrophobicContact CD2-CD1 3.96Å; Y61-I73 HydrophobicContact CG-CD1 4.32Å; I63-I73 HydrophobicContact CG1-CB 4.17Å; I63-I73 HydrophobicContact CG1-CD1 4.1Å; I63-I73 HydrophobicContact CG1-CG1 4.35Å; I73-D75 PolarHBondContact O-N 3.38Å; I73-D75 VanDerWaalsContact O-N 3.12Å; I73-Q76 PolarHBondContact N-O 3.34Å; I73-Q76 PolarHBondContact O-N 3Å; I73-F78 HydrophobicContact CG2-CD2 3.9Å; I73-F78 HydrophobicContact CG2-CE2 3.42Å; I73-F78 VanDerWaalsContact CG2-CE2 3.42Å; I73-L84 HydrophobicContact CB-CD1 3.89Å; I73-L84 HydrophobicContact CD1-CD2 4.36Å; I73-L84 HydrophobicContact CG2-CD1 3.38Å; I73-L84 HydrophobicContact CG2-CD2 4.41Å; I73-L84 HydrophobicContact CG2-CG 3.79Å; I73-Y88 HydrophobicContact CD1-CE2 4.29Å; I73-Y88 HydrophobicContact CG2-CE2 3.67Å
74G82.9Confident83.5Confident64 Ų6469.2 Ų69.266%0.6638%0.381SS*.THydrogen-bonded Turntrans56.7-117.8-170.500000110.8K72K72-G74 WeakPolarHBondContact CE-O 3.41Å
75D82.1Confident83.4Confident128 Ų12866 Ų6668%0.68436%0.364SS*.THydrogen-bonded Turntrans-105.28.3175.5-156-127.2000114.1K72 I73K72-D75 IonicContact NZ-OD2 3.41Å; K72-D75 PolarHBondContact NZ-OD2 2.87Å; I73-D75 PolarHBondContact O-N 3.38Å; I73-D75 VanDerWaalsContact O-N 3.12Å
76Q80.9Confident83.1Confident82 Ų8269 Ų6938%0.38337%0.372SS..EExtended strand (participates in β ladder)trans-104.4135.8-177.5-60.6-62.6-83.400111.2K72 I73 F78K72-Q76 CarbonylContact C-O 3.57Å; K72-Q76 VanDerWaalsContact CA-O 3.32Å; K72-Q76 WeakPolarHBondContact CA-O 3.36Å; K72-Q76 WeakPolarHBondContact CG-O 3.43Å; I73-Q76 PolarHBondContact N-O 3.34Å; I73-Q76 PolarHBondContact O-N 3Å; Q76-F78 HydrophobicContact CB-CD2 4.46Å; Q76-F78 HydrophobicContact CB-CE2 3.45Å; Q76-F78 VanDerWaalsContact CB-CE2 3.45Å; Q76-F78 HydrophobicContact CB-CZ 3.68Å
77E87.8Confident82.9Confident121 Ų12169.6 Ų69.657%0.56537%0.373SS*.EExtended strand (participates in β ladder)trans-112.8137.5-179.7-68.4179.683.600111.2L66 K72L66-E77 HydrophobicContact CD1-CG 4.47Å; L66-E77 WeakPolarHBondContact CD1-OE1 3.48Å; K72-E77 HydrophobicContact CB-CG 4.18Å; K72-E77 HydrophobicContact CD-CG 4.03Å; K72-E77 HydrophobicContact CG-CG 4.04Å
78F86.3Confident82.9Confident20 Ų2064.3 Ų64.39%0.08834%0.336CS..EExtended strand (participates in β ladder)trans-133.8150.6-174.7-59.5-82.1000110.8K70 F71 I73 Q76 L84 F87 Y88K70-F78 CarbonylContact C-O 3.51Å; K70-F78 WeakPolarHBondContact CA-O 3.17Å; K70-F78 WeakPolarHBondContact CB-O 3.39Å; F71-F78 PolarHBondContact N-O 2.79Å; F71-F78 PolarHBondContact O-N 3.33Å; I73-F78 HydrophobicContact CG2-CD2 3.9Å; I73-F78 HydrophobicContact CG2-CE2 3.42Å; I73-F78 VanDerWaalsContact CG2-CE2 3.42Å; Q76-F78 HydrophobicContact CB-CD2 4.46Å; Q76-F78 HydrophobicContact CB-CE2 3.45Å; Q76-F78 VanDerWaalsContact CB-CE2 3.45Å; Q76-F78 HydrophobicContact CB-CZ 3.68Å; F78-L84 HydrophobicContact CB-CB 3.93Å; F78-L84 HydrophobicContact CD1-CB 4.11Å; F78-L84 HydrophobicContact CD2-CB 3.7Å; F78-L84 HydrophobicContact CD2-CD1 3.74Å; F78-L84 HydrophobicContact CD2-CG 3.66Å; F78-L84 HydrophobicContact CE2-CB 4.23Å; F78-L84 HydrophobicContact CE2-CD1 4.2Å; F78-L84 HydrophobicContact CE2-CG 3.85Å; F78-L84 HydrophobicContact CG-CB 3.62Å; F78-L84 HydrophobicContact CG-CD1 4.43Å; F78-L84 HydrophobicContact CG-CG 4.13Å; F78-L84 HydrophobicContact CZ-CG 4.47Å; F78-F87 HydrophobicContact CD1-CB 4.4Å; F78-F87 HydrophobicContact CE1-CB 3.52Å; F78-F87 AromaticContact CE1-CD1 3.83Å; F78-F87 HydrophobicContact CE1-CD1 3.83Å; F78-F87 HydrophobicContact CE1-CD2 4.09Å; F78-F87 AromaticContact CE1-CG 3.56Å; F78-F87 HydrophobicContact CE1-CG 3.56Å; F78-F87 HydrophobicContact CZ-CB 4.11Å; F78-F87 AromaticContact CZ-CD1 3.63Å; F78-F87 HydrophobicContact CZ-CD1 3.63Å; F78-F87 HydrophobicContact CZ-CE1 4.17Å; F78-F87 AromaticContact CZ-CG 3.89Å; F78-F87 HydrophobicContact CZ-CG 3.89Å; F78-Y88 AromaticContact CE2-CE2 3.91Å; F78-Y88 HydrophobicContact CE2-CE2 3.91Å; F78-Y88 HydrophobicContact CZ-CD2 4.47Å; F78-Y88 AromaticContact CZ-CE2 3.8Å; F78-Y88 HydrophobicContact CZ-CE2 3.8Å
79E82.8Confident82.6Confident144 Ų14461.4 Ų61.467%0.67331%0.311SS*.SBendtrans-71.3-34.6179.9-63.4177.6101.500112
80N84.3Confident82.5Confident67 Ų6758 Ų5836%0.35830%0.3SS..SBendtrans-156159.4-179.250.7-90.3000111.2F71 P82 A83 L84F71-N80 VanDerWaalsContact CD2-CA 3.49Å; N80-P82 WeakPolarHBondContact ND2-CB 3.17Å; N80-P82 VanDerWaalsContact ND2-CD 3.35Å; N80-P82 WeakPolarHBondContact ND2-CD 3.47Å; N80-A83 PolarHBondContact ND2-N 2.84Å; N80-A83 VanDerWaalsContact ND2-N 3.18Å; N80-A83 WeakPolarHBondContact O-CB 3.48Å; N80-A83 PolarHBondContact O-N 3.09Å; N80-L84 PolarHBondContact O-N 2.76Å
81L81.4Confident82.1Confident6 Ų657.3 Ų57.33%0.03130%0.298CS..Hα-helixtrans-52.1-44.3177.4-71.2171.2000113.7W14 Y48 I63 F71 A83 L84 L85W14-L81 HydrophobicContact CH2-CB 3.74Å; W14-L81 HydrophobicContact CH2-CD1 4.07Å; W14-L81 HydrophobicContact CZ3-CB 4.25Å; W14-L81 HydrophobicContact CZ3-CD1 4.14Å; Y48-L81 HydrophobicContact CD1-CD1 4.05Å; Y48-L81 HydrophobicContact CD2-CD1 4.24Å; Y48-L81 HydrophobicContact CE1-CD1 4.08Å; Y48-L81 HydrophobicContact CE2-CD1 4.32Å; Y48-L81 HydrophobicContact CG-CD1 4.11Å; Y48-L81 HydrophobicContact CG-CD2 4.46Å; I63-L81 HydrophobicContact CD1-CD2 3.85Å; I63-L81 HydrophobicContact CG2-CD2 3.86Å; F71-L81 HydrophobicContact CD1-CD2 3.95Å; F71-L81 HydrophobicContact CD1-CG 4.02Å; F71-L81 HydrophobicContact CD2-CG 4.46Å; F71-L81 HydrophobicContact CE1-CD1 4.33Å; F71-L81 HydrophobicContact CE1-CD2 4.36Å; F71-L81 HydrophobicContact CE1-CG 4.01Å; F71-L81 HydrophobicContact CE2-CG 4.45Å; F71-L81 HydrophobicContact CG-CD2 4.23Å; F71-L81 HydrophobicContact CG-CG 4.23Å; F71-L81 HydrophobicContact CZ-CG 4.22Å; L81-A83 VanDerWaalsContact C-N 3.31Å; L81-A83 PolarHBondContact O-N 2.73Å; L81-L84 WeakPolarHBondContact O-CB 3.14Å; L81-L84 PolarHBondContact O-N 2.97Å; L81-L85 WeakPolarHBondContact O-CG 3.19Å; L81-L85 PolarHBondContact O-N 3.19Å
82P82.9Confident81.6Confident37 Ų3763.5 Ų63.524%0.2432%0.322CS..Hα-helixtrans-56-40.8174.7-26.729.1000114.4S8 W14 N80 L85 E86S8-P82 VanDerWaalsContact CB-O 3.29Å; S8-P82 WeakPolarHBondContact CB-O 3.27Å; S8-P82 VanDerWaalsContact O-CB 3.26Å; S8-P82 WeakPolarHBondContact O-CB 3.34Å; S8-P82 WeakPolarHBondContact O-CG 3.49Å; W14-P82 HydrophobicContact CZ2-CG 4.39Å; N80-P82 WeakPolarHBondContact ND2-CB 3.17Å; N80-P82 VanDerWaalsContact ND2-CD 3.35Å; N80-P82 WeakPolarHBondContact ND2-CD 3.47Å; P82-L85 PolarHBondContact O-N 2.74Å; P82-E86 WeakPolarHBondContact O-CB 3.4Å; P82-E86 PolarHBondContact O-N 3.13Å
83A78.8Confident81.4Confident30 Ų3062.2 Ų62.225%0.24832%0.317CS..Hα-helixtrans-67.8-39.2-179.800000111.3N80 L81 E86 F87N80-A83 PolarHBondContact ND2-N 2.84Å; N80-A83 VanDerWaalsContact ND2-N 3.18Å; N80-A83 WeakPolarHBondContact O-CB 3.48Å; N80-A83 PolarHBondContact O-N 3.09Å; L81-A83 VanDerWaalsContact C-N 3.31Å; L81-A83 PolarHBondContact O-N 2.73Å; A83-E86 PolarHBondContact O-N 2.93Å; A83-F87 WeakPolarHBondContact O-CB 3.08Å; A83-F87 PolarHBondContact O-N 2.73Å
84L87.6Confident80.8Confident0 Ų067 Ų670%034%0.343CS..Hα-helixtrans-58.1-51.2171.1-179.1162.8000110.7L50 I63 I73 F78 N80 L81 E86 F87 Y88L50-L84 HydrophobicContact CD2-CD2 4.21Å; I63-L84 HydrophobicContact CD1-CD1 3.99Å; I63-L84 HydrophobicContact CD1-CD2 4.3Å; I63-L84 HydrophobicContact CG1-CD1 4.06Å; I63-L84 HydrophobicContact CG2-CD1 3.89Å; I73-L84 HydrophobicContact CB-CD1 3.89Å; I73-L84 HydrophobicContact CD1-CD2 4.36Å; I73-L84 HydrophobicContact CG2-CD1 3.38Å; I73-L84 HydrophobicContact CG2-CD2 4.41Å; I73-L84 HydrophobicContact CG2-CG 3.79Å; F78-L84 HydrophobicContact CB-CB 3.93Å; F78-L84 HydrophobicContact CD1-CB 4.11Å; F78-L84 HydrophobicContact CD2-CB 3.7Å; F78-L84 HydrophobicContact CD2-CD1 3.74Å; F78-L84 HydrophobicContact CD2-CG 3.66Å; F78-L84 HydrophobicContact CE2-CB 4.23Å; F78-L84 HydrophobicContact CE2-CD1 4.2Å; F78-L84 HydrophobicContact CE2-CG 3.85Å; F78-L84 HydrophobicContact CG-CB 3.62Å; F78-L84 HydrophobicContact CG-CD1 4.43Å; F78-L84 HydrophobicContact CG-CG 4.13Å; F78-L84 HydrophobicContact CZ-CG 4.47Å; N80-L84 PolarHBondContact O-N 2.76Å; L81-L84 WeakPolarHBondContact O-CB 3.14Å; L81-L84 PolarHBondContact O-N 2.97Å; L84-E86 VanDerWaalsContact C-N 3.31Å; L84-E86 PolarHBondContact O-N 2.93Å; L84-F87 WeakPolarHBondContact O-CB 3.43Å; L84-F87 PolarHBondContact O-N 3.44Å; L84-Y88 HydrophobicContact CD2-CD2 3.85Å; L84-Y88 HydrophobicContact CD2-CE2 4.21Å; L84-Y88 HydrophobicContact CG-CD2 4.14Å; L84-Y88 HydrophobicContact CG-CE2 4.15Å; L84-Y88 VanDerWaalsContact O-CD2 3.25Å; L84-Y88 WeakPolarHBondContact O-CD2 3.33Å; L84-Y88 PolarHBondContact O-N 2.96Å; L84-Y88 VanDerWaalsContact O-N 3.1Å
85L84Confident80.2Confident0 Ų067.1 Ų67.10%033%0.331CS..Hα-helixtrans-62.4-40.4-179.3-64.4176000111.7F6 W14 F36 V38 L50 L81 P82 Y88 K89 L98F6-L85 HydrophobicContact CE2-CB 3.94Å; F6-L85 HydrophobicContact CZ-CB 4.28Å; W14-L85 HydrophobicContact CB-CD1 4.48Å; W14-L85 HydrophobicContact CD2-CD1 3.36Å; W14-L85 VanDerWaalsContact CE2-CD1 3.45Å; W14-L85 HydrophobicContact CE3-CD1 3.73Å; W14-L85 HydrophobicContact CG-CD1 3.7Å; W14-L85 HydrophobicContact CH2-CD1 4.27Å; W14-L85 HydrophobicContact CZ2-CD1 3.93Å; W14-L85 HydrophobicContact CZ3-CD1 4.16Å; F36-L85 HydrophobicContact CD2-CD2 4.19Å; F36-L85 HydrophobicContact CE2-CD1 4.19Å; F36-L85 HydrophobicContact CE2-CD2 3.61Å; F36-L85 HydrophobicContact CE2-CG 4.49Å; F36-L85 HydrophobicContact CZ-CD2 4.27Å; V38-L85 HydrophobicContact CG2-CD2 4.14Å; L50-L85 HydrophobicContact CD1-CD2 4.18Å; L81-L85 WeakPolarHBondContact O-CG 3.19Å; L81-L85 PolarHBondContact O-N 3.19Å; P82-L85 PolarHBondContact O-N 2.74Å; L85-Y88 PolarHBondContact O-N 2.79Å; L85-K89 WeakPolarHBondContact O-CG 3.49Å; L85-K89 PolarHBondContact O-N 2.74Å; L85-K89 VanDerWaalsContact O-N 3.11Å; L85-L98 HydrophobicContact CB-CD1 4.32Å; L85-L98 HydrophobicContact CD2-CD1 3.59Å
86E79.3Confident79.9Confident115 Ų11561.7 Ų61.754%0.53730%0.303SS..Hα-helixtrans-63.5-41.8177-173.7140.39000112.8S8 P82 A83 L84 Y88 K89S8-E86 PolarHBondContact OG-N 2.71Å; P82-E86 WeakPolarHBondContact O-CB 3.4Å; P82-E86 PolarHBondContact O-N 3.13Å; A83-E86 PolarHBondContact O-N 2.93Å; L84-E86 VanDerWaalsContact C-N 3.31Å; L84-E86 PolarHBondContact O-N 2.93Å; E86-Y88 PolarHBondContact O-N 2.82Å; E86-K89 HydrophobicContact CG-CD 4.47Å; E86-K89 VanDerWaalsContact O-CB 3.27Å; E86-K89 WeakPolarHBondContact O-CB 3.31Å; E86-K89 PolarHBondContact O-N 2.81Å; E86-K89 IonicContact OE2-NZ 2.71Å
87F80.1Confident80Confident61 Ų6158.5 Ų58.527%0.26829%0.289SS..Hα-helixtrans-58.7-49.6174.2-178.6-94.7000111F78 A83 L84 K89 I90 H91F78-F87 HydrophobicContact CD1-CB 4.4Å; F78-F87 HydrophobicContact CE1-CB 3.52Å; F78-F87 AromaticContact CE1-CD1 3.83Å; F78-F87 HydrophobicContact CE1-CD1 3.83Å; F78-F87 HydrophobicContact CE1-CD2 4.09Å; F78-F87 AromaticContact CE1-CG 3.56Å; F78-F87 HydrophobicContact CE1-CG 3.56Å; F78-F87 HydrophobicContact CZ-CB 4.11Å; F78-F87 AromaticContact CZ-CD1 3.63Å; F78-F87 HydrophobicContact CZ-CD1 3.63Å; F78-F87 HydrophobicContact CZ-CE1 4.17Å; F78-F87 AromaticContact CZ-CG 3.89Å; F78-F87 HydrophobicContact CZ-CG 3.89Å; A83-F87 WeakPolarHBondContact O-CB 3.08Å; A83-F87 PolarHBondContact O-N 2.73Å; L84-F87 WeakPolarHBondContact O-CB 3.43Å; L84-F87 PolarHBondContact O-N 3.44Å; F87-K89 PolarHBondContact O-N 3.38Å; F87-I90 PolarHBondContact O-N 2.78Å; F87-H91 HydrophobicContact CD1-CB 3.85Å; F87-H91 AromaticContact CD1-CG 3.78Å; F87-H91 AromaticContact CD1-ND1 3.68Å; F87-H91 AromaticContact CD2-CE1 3.55Å; F87-H91 AromaticContact CD2-ND1 3.51Å; F87-H91 HydrophobicContact CE1-CB 3.59Å; F87-H91 AromaticContact CE1-CD2 3.83Å; F87-H91 AromaticContact CE1-CG 3.39Å; F87-H91 AromaticContact CE1-ND1 3.65Å; F87-H91 AromaticContact CE2-CD2 3.94Å; F87-H91 AromaticContact CE2-CE1 3.25Å; F87-H91 WeakPolarHBondContact CE2-CE1 3.42Å; F87-H91 AromaticContact CE2-CG 3.9Å; F87-H91 AromaticContact CE2-ND1 3.48Å; F87-H91 WeakPolarHBondContact CE2-ND1 3.41Å; F87-H91 AromaticContact CE2-NE2 3.56Å; F87-H91 AromaticContact CG-ND1 3.61Å; F87-H91 HydrophobicContact CZ-CB 4.17Å; F87-H91 AromaticContact CZ-CD2 3.46Å; F87-H91 VanDerWaalsContact CZ-CD2 3.46Å; F87-H91 WeakPolarHBondContact CZ-CD2 3.47Å; F87-H91 AromaticContact CZ-CE1 3.61Å; F87-H91 AromaticContact CZ-CG 3.46Å; F87-H91 VanDerWaalsContact CZ-CG 3.46Å; F87-H91 AromaticContact CZ-ND1 3.55Å; F87-H91 AromaticContact CZ-NE2 3.57Å; F87-H91 WeakPolarHBondContact O-CB 3.47Å; F87-H91 PolarHBondContact O-N 2.82Å; F87-H91 VanDerWaalsContact O-N 3.1Å; F87-H91 PolarHBondContact O-ND1 3.07Å
88Y80.1Confident79.8Confident22 Ų2252.8 Ų52.89%0.08626%0.262CS..THydrogen-bonded Turntrans-76.43.1-179.9-71.1-72.8000114.9I73 F78 L84 L85 E86 I90 H91 L93 L98I73-Y88 HydrophobicContact CD1-CE2 4.29Å; I73-Y88 HydrophobicContact CG2-CE2 3.67Å; F78-Y88 AromaticContact CE2-CE2 3.91Å; F78-Y88 HydrophobicContact CE2-CE2 3.91Å; F78-Y88 HydrophobicContact CZ-CD2 4.47Å; F78-Y88 AromaticContact CZ-CE2 3.8Å; F78-Y88 HydrophobicContact CZ-CE2 3.8Å; L84-Y88 HydrophobicContact CD2-CD2 3.85Å; L84-Y88 HydrophobicContact CD2-CE2 4.21Å; L84-Y88 HydrophobicContact CG-CD2 4.14Å; L84-Y88 HydrophobicContact CG-CE2 4.15Å; L84-Y88 VanDerWaalsContact O-CD2 3.25Å; L84-Y88 WeakPolarHBondContact O-CD2 3.33Å; L84-Y88 PolarHBondContact O-N 2.96Å; L84-Y88 VanDerWaalsContact O-N 3.1Å; L85-Y88 PolarHBondContact O-N 2.79Å; E86-Y88 PolarHBondContact O-N 2.82Å; Y88-I90 PolarHBondContact O-N 2.85Å; Y88-H91 HydrophobicContact CD1-CB 4.11Å; Y88-L93 HydrophobicContact CD1-CD1 3.56Å; Y88-L93 HydrophobicContact CD1-CG 3.63Å; Y88-L93 HydrophobicContact CE1-CD1 4.36Å; Y88-L93 HydrophobicContact CE1-CG 3.93Å; Y88-L93 HydrophobicContact CG-CD1 3.83Å; Y88-L93 HydrophobicContact CG-CG 4.16Å; Y88-L98 PolarHBondContact O-N 2.9Å
89K76.7Confident79.2Confident33 Ų3353.4 Ų53.414%0.14327%0.266CS..THydrogen-bonded Turntrans-63.6-32.7165.7-71.7-178.4172.9172.80112.2A4 F6 S8 L85 E86 F87A4-K89 HydrophobicContact CB-CB 3.55Å; A4-K89 HydrophobicContact CB-CD 3.64Å; A4-K89 HydrophobicContact CB-CG 3.4Å; A4-K89 VanDerWaalsContact CB-CG 3.4Å; F6-K89 HydrophobicContact CE1-CD 4.36Å; F6-K89 HydrophobicContact CE1-CG 3.74Å; F6-K89 HydrophobicContact CE2-CG 4.4Å; F6-K89 HydrophobicContact CZ-CD 4.14Å; F6-K89 VanDerWaalsContact CZ-CE 3.46Å; F6-K89 HydrophobicContact CZ-CG 3.54Å; F6-K89 WeakPolarHBondContact O-CE 3.26Å; F6-K89 PolarHBondContact O-NZ 2.93Å; S8-K89 VanDerWaalsContact OG-CE 3.25Å; S8-K89 WeakPolarHBondContact OG-CE 3.49Å; S8-K89 PolarHBondContact OG-NZ 3.47Å; L85-K89 WeakPolarHBondContact O-CG 3.49Å; L85-K89 PolarHBondContact O-N 2.74Å; L85-K89 VanDerWaalsContact O-N 3.11Å; E86-K89 HydrophobicContact CG-CD 4.47Å; E86-K89 VanDerWaalsContact O-CB 3.27Å; E86-K89 WeakPolarHBondContact O-CB 3.31Å; E86-K89 PolarHBondContact O-N 2.81Å; E86-K89 IonicContact OE2-NZ 2.71Å; F87-K89 PolarHBondContact O-N 3.38Å
90I75.3Confident79.1Confident107 Ų10748.6 Ų48.655%0.54924%0.244SC..THydrogen-bonded Turntrans-123-10.2-175.561.2172000112.9F87 Y88F87-I90 PolarHBondContact O-N 2.78Å; Y88-I90 PolarHBondContact O-N 2.85Å
91H75.3Confident78.8Confident77 Ų7746.8 Ų46.836%0.35624%0.235SC..SBendtrans-101.8134.8173.3-64.587.1000110.7F87 Y88F87-H91 HydrophobicContact CD1-CB 3.85Å; F87-H91 AromaticContact CD1-CG 3.78Å; F87-H91 AromaticContact CD1-ND1 3.68Å; F87-H91 AromaticContact CD2-CE1 3.55Å; F87-H91 AromaticContact CD2-ND1 3.51Å; F87-H91 HydrophobicContact CE1-CB 3.59Å; F87-H91 AromaticContact CE1-CD2 3.83Å; F87-H91 AromaticContact CE1-CG 3.39Å; F87-H91 AromaticContact CE1-ND1 3.65Å; F87-H91 AromaticContact CE2-CD2 3.94Å; F87-H91 AromaticContact CE2-CE1 3.25Å; F87-H91 WeakPolarHBondContact CE2-CE1 3.42Å; F87-H91 AromaticContact CE2-CG 3.9Å; F87-H91 AromaticContact CE2-ND1 3.48Å; F87-H91 WeakPolarHBondContact CE2-ND1 3.41Å; F87-H91 AromaticContact CE2-NE2 3.56Å; F87-H91 AromaticContact CG-ND1 3.61Å; F87-H91 HydrophobicContact CZ-CB 4.17Å; F87-H91 AromaticContact CZ-CD2 3.46Å; F87-H91 VanDerWaalsContact CZ-CD2 3.46Å; F87-H91 WeakPolarHBondContact CZ-CD2 3.47Å; F87-H91 AromaticContact CZ-CE1 3.61Å; F87-H91 AromaticContact CZ-CG 3.46Å; F87-H91 VanDerWaalsContact CZ-CG 3.46Å; F87-H91 AromaticContact CZ-ND1 3.55Å; F87-H91 AromaticContact CZ-NE2 3.57Å; F87-H91 WeakPolarHBondContact O-CB 3.47Å; F87-H91 PolarHBondContact O-N 2.82Å; F87-H91 VanDerWaalsContact O-N 3.1Å; F87-H91 PolarHBondContact O-ND1 3.07Å; Y88-H91 HydrophobicContact CD1-CB 4.11Å
92Y75.9Confident78.6Confident160 Ų16046.7 Ų46.763%0.62724%0.236SC*.  trans-72.2136.5177.6-74.4-95.1000110.2T97Y92-T97 HydrophobicContact CD1-CG2 4.08Å; Y92-T97 HydrophobicContact CD2-CG2 3.96Å; Y92-T97 HydrophobicContact CE1-CG2 4.14Å; Y92-T97 HydrophobicContact CE2-CG2 4.02Å; Y92-T97 HydrophobicContact CG-CG2 3.99Å
93L78.1Confident77.9Confident28 Ų2847 Ų4715%0.14724%0.238CC..SBendtrans-77.9-67.7169.1-76.989000110.2L50 V52 Y61 Y88 T96 L98L50-L93 HydrophobicContact CD2-CD2 3.8Å; V52-L93 HydrophobicContact CG2-CD2 4.11Å; Y61-L93 HydrophobicContact CD1-CD2 4.07Å; Y61-L93 HydrophobicContact CD2-CD2 3.33Å; Y61-L93 HydrophobicContact CE1-CB 4.05Å; Y61-L93 HydrophobicContact CE1-CD2 4.04Å; Y61-L93 HydrophobicContact CE2-CB 4.07Å; Y61-L93 HydrophobicContact CE2-CD2 3.3Å; Y61-L93 HydrophobicContact CE2-CG 4.32Å; Y61-L93 HydrophobicContact CG-CD2 3.73Å; Y88-L93 HydrophobicContact CD1-CD1 3.56Å; Y88-L93 HydrophobicContact CD1-CG 3.63Å; Y88-L93 HydrophobicContact CE1-CD1 4.36Å; Y88-L93 HydrophobicContact CE1-CG 3.93Å; Y88-L93 HydrophobicContact CG-CD1 3.83Å; Y88-L93 HydrophobicContact CG-CG 4.16Å; L93-T96 PolarHBondContact N-O 3.2Å; L93-L98 HydrophobicContact CD1-CD2 3.9Å; L93-L98 HydrophobicContact CD1-CG 4.04Å
94D73.6Confident76.8Confident105 Ų10549.9 Ų49.956%0.56124%0.242SC*.SBendtrans-119.8-61.1172.4-149.9-108.3000109E54 Y61E54-D94 WeakPolarHBondContact OE1-CB 3.37Å; E54-D94 WeakPolarHBondContact OE2-CB 3.42Å; Y61-D94 WeakPolarHBondContact OH-CB 3.16Å
95T71.3Confident75Confident67 Ų6756.1 Ų56.141%0.41127%0.267SS..SBendtrans-135-2.5177.178.90000113.3E54 N55E54-T95 WeakPolarHBondContact CG-OG1 3.11Å; E54-T95 PolarHBondContact OE2-N 3.23Å; E54-T95 PolarHBondContact OE2-OG1 3.37Å; N55-T95 WeakPolarHBondContact ND2-CG2 3.42Å; N55-T95 PolarHBondContact ND2-OG1 3.2Å
96T75.7Confident73Confident14 Ų1460.1 Ų60.19%0.08629%0.292CS..  trans-130.5154.6177-156.50000112.9G34 V52 E54 L93G34-T96 WeakPolarHBondContact CA-OG1 3.36Å; G34-T96 PolarHBondContact N-OG1 2.87Å; V52-T96 HydrophobicContact CG1-CG2 3.67Å; E54-T96 HydrophobicContact CB-CG2 3.91Å; E54-T96 HydrophobicContact CG-CG2 3.78Å; E54-T96 PolarHBondContact OE2-N 3.16Å; L93-T96 PolarHBondContact N-O 3.2Å
97T83.6Confident71.1Confident15 Ų1558.9 Ų58.99%0.09230%0.296CS..  trans-97.1163168.265.90000109.3G34 Y92 I99G34-T97 WeakPolarHBondContact CA-O 3.24Å; Y92-T97 HydrophobicContact CD1-CG2 4.08Å; Y92-T97 HydrophobicContact CD2-CG2 3.96Å; Y92-T97 HydrophobicContact CE1-CG2 4.14Å; Y92-T97 HydrophobicContact CE2-CG2 4.02Å; Y92-T97 HydrophobicContact CG-CG2 3.99Å; T97-I99 PolarHBondContact O-N 3.38Å
98L81.7Confident68.8Low0 Ų061.9 Ų61.90%032%0.32CS..  trans-71.3121.4173.9-58.1-178.2000109.6A4 F6 F36 L50 V52 L85 Y88 L93A4-L98 WeakPolarHBondContact CB-O 3.47Å; F6-L98 HydrophobicContact CE1-CB 3.7Å; F6-L98 HydrophobicContact CZ-CB 3.81Å; F6-L98 HydrophobicContact CZ-CD1 4.28Å; F36-L98 HydrophobicContact CB-CD2 3.78Å; F36-L98 HydrophobicContact CD1-CB 3.93Å; F36-L98 HydrophobicContact CD1-CD2 3.82Å; F36-L98 HydrophobicContact CD1-CG 4.31Å; F36-L98 HydrophobicContact CD2-CD2 4.32Å; F36-L98 HydrophobicContact CE1-CB 3.97Å; F36-L98 HydrophobicContact CG-CD2 3.71Å; L50-L98 HydrophobicContact CD1-CD2 4.37Å; L50-L98 HydrophobicContact CD2-CD1 4.33Å; L50-L98 HydrophobicContact CD2-CD2 4.31Å; V52-L98 HydrophobicContact CG1-CD2 4.33Å; V52-L98 HydrophobicContact CG2-CD2 3.84Å; L85-L98 HydrophobicContact CB-CD1 4.32Å; L85-L98 HydrophobicContact CD2-CD1 3.59Å; Y88-L98 PolarHBondContact O-N 2.9Å; L93-L98 HydrophobicContact CD1-CD2 3.9Å; L93-L98 HydrophobicContact CD1-CG 4.04Å
99I74.6Confident66.8Low34 Ų3468.3 Ų68.317%0.17435%0.354CS..  trans-108.7-48.9-176.5-69.1174.9000110.8A4 R5 F6 G34 T97A4-I99 WeakPolarHBondContact CA-O 3.3Å; R5-I99 PolarHBondContact N-O 3.37Å; F6-I99 WeakPolarHBondContact CD1-O 2.93Å; G34-I99 PolarHBondContact O-N 2.8Å; T97-I99 PolarHBondContact O-N 3.38Å
100E80Confident64.8Low43 Ų4373.5 Ų73.520%0.20139%0.389CS..EExtended strand (participates in β ladder)trans-158.1150.2-177.865.1-170.1130.400112R32 G34 M35 F36R32-E100 IonicContact CZ-OE1 2.73Å; R32-E100 IonicContact NE-OE1 3.01Å; R32-E100 PolarHBondContact NE-OE1 3.46Å; R32-E100 IonicContact NH2-OE1 3.51Å; R32-E100 PolarHBondContact NH2-OE1 2.91Å; R32-E100 IonicContact NH2-OE2 2.68Å; G34-E100 PolarHBondContact O-N 3.34Å; M35-E100 CarbonylContact C-O 3.49Å; M35-E100 VanDerWaalsContact CA-O 3.23Å; M35-E100 WeakPolarHBondContact CA-O 3.3Å; M35-E100 HydrophobicContact CB-CG 4.38Å; M35-E100 HydrophobicContact CE-CG 3.74Å; M35-E100 HydrophobicContact CG-CG 4.23Å; F36-E100 WeakPolarHBondContact CD1-O 3.43Å; F36-E100 VanDerWaalsContact CE1-C 3.44Å; F36-E100 WeakPolarHBondContact CE1-O 3.37Å; F36-E100 PolarHBondContact N-O 2.85Å
101P79.5Confident62.7Low28 Ų2871.8 Ų71.818%0.18240%0.398CS..EExtended strand (participates in β ladder)trans-69.6151.3173.528.3-35.1000111.6F6 A13 W14 F36F6-P101 HydrophobicContact CB-CG 4.22Å; A13-P101 HydrophobicContact CB-CG 4.13Å; A13-P101 WeakPolarHBondContact O-CB 3.36Å; W14-P101 HydrophobicContact CB-CB 3.97Å; F36-P101 HydrophobicContact CZ-CB 4.45Å; F36-P101 CarbonylContact O-C 3.55Å; F36-P101 WeakPolarHBondContact O-CA 3.27Å
102A77.1Confident61Low5 Ų572.4 Ų72.44%0.04142%0.416CS..PPolyproline II helixtrans-66.4154173.200000110.4F16 L28 M35 F36 L37F16-A102 HydrophobicContact CE2-CB 4.44Å; F16-A102 HydrophobicContact CZ-CB 4.01Å; F16-A102 WeakPolarHBondContact CZ-O 3.48Å; L28-A102 HydrophobicContact CD2-CB 3.76Å; M35-A102 HydrophobicContact CG-CB 4.16Å; M35-A102 HydrophobicContact SD-CB 4.42Å; F36-A102 PolarHBondContact O-N 3.1Å; L37-A102 HydrophobicContact CB-CB 4Å; L37-A102 HydrophobicContact CD2-CB 3.82Å; L37-A102 HydrophobicContact CG-CB 4.47Å
103P67Low59.2Low43 Ų4371.6 Ų71.628%0.27942%0.421SS..PPolyproline II helixtrans-69.8136.9172.725.7-31.5000112F16 Y105F16-P103 WeakPolarHBondContact CE1-O 3.49Å; F16-P103 WeakPolarHBondContact CZ-O 3.23Å; P103-Y105 PolarHBondContact O-N 2.87Å
104R57.3Low57.2Low91 Ų9178.2 Ų78.234%0.34345%0.451SS..SBendtrans-68.8-16.8-179.3-73.5-80.8-137.9-110.820.9114.3S12 A13 Y15 F16 R27S12-R104 PolarHBondContact O-NE 3.25Å; S12-R104 VanDerWaalsContact O-NE 3.17Å; S12-R104 PolarHBondContact O-NH1 2.88Å; S12-R104 PolarHBondContact O-NH2 2.62Å; A13-R104 PolarHBondContact O-NH1 2.88Å; Y15-R104 PolarHBondContact O-NH1 3.36Å; Y15-R104 PolarHBondContact O-NH2 2.78Å; F16-R104 HydrophobicContact CE1-CG 4.46Å; F16-R104 HydrophobicContact CE2-CG 4.49Å; F16-R104 HydrophobicContact CZ-CG 4.1Å; R27-R104 PolarHBondContact NH1-O 2.82Å
105Y49.1Very low55.1Low131 Ų13178.2 Ų78.251%0.51446%0.455SS..SBendtrans-120.7131.3177.241.3-89.5000107.7P103 S107P103-Y105 PolarHBondContact O-N 2.87Å; Y105-S107 PolarHBondContact O-N 3.19Å
106P41.9Very low53.5Low83 Ų8382.4 Ų82.454%0.53947%0.472SS..  trans-62.1111.5164.226.9-29.2000106.3T108P106-T108 PolarHBondContact O-N 2.9Å
107S39Very low51.3Low89 Ų8988.3 Ų88.362%0.62251%0.508SS*.  trans-60.990.1165.6-600000107.6Y105 I109Y105-S107 PolarHBondContact O-N 3.19Å; S107-I109 PolarHBondContact O-N 3.31Å
108T32.6Very low49Very low125 Ų12591.1 Ų91.177%0.76754%0.54SS*.  trans-69.187.6156.945.20000106.3P106P106-T108 PolarHBondContact O-N 2.9Å
109I36.5Very low47.1Very low156 Ų15696 Ų9680%0.857%0.571SS**  -159.1108.5128.7-80.5129.4000105.8S107S107-I109 PolarHBondContact O-N 3.31Å
110T34.9Very low45.3Very low142 Ų142104 Ų10487%0.87161%0.608SS**  trans-46.7130.416930.30000113.3
111G31Very low43.3Very low72 Ų72110.5 Ų110.574%0.74264%0.639SS**  trans104.590.313900000117.3
112A39.5Very low41.8Very low89 Ų89114 Ų11474%0.73666%0.655SS**  trans58.4108.9144.200000116.2
113I39.3Very low40.5Very low144 Ų144119.6 Ų119.674%0.73868%0.681SS**  176.2126.474.4-89.8145.8000109
114Q35.5Very low40.3Very low166 Ų166119 Ų11978%0.77668%0.675SS**  trans64.6110.3138.3-70.7-178.75500122.7
115T29.4Very low40.8Very low105 Ų105116.8 Ų116.864%0.64467%0.666SS**  92130.7125.9-8.60000121.6
116M37.8Very low41.7Very low156 Ų156110.5 Ų110.577%0.76864%0.642SS**  trans79.498.8150.2-45.6-175.4-85.700117.5
117V30.9Very low42.9Very low137 Ų137111.5 Ų111.583%0.8364%0.635SS**  161.4114.6102.5-77.20000110.8
118G35.2Very low44.5Very low74 Ų74107.3 Ų107.376%0.76361%0.606SS**  trans-74.8142.1139.700000107.1
119P40Very low45.8Very low103 Ų103104 Ų10467%0.66958%0.583SS**  -138.8145.577.134.5-18.3000114.6E121P119-E121 PolarHBondContact O-N 2.93Å
120E38.2Very low46.9Very low202 Ų202102.8 Ų102.894%0.94457%0.569SS**THydrogen-bonded Turntrans-71.366.3158.3-77.6-16881.600110.9
121E38.5Very low48.3Very low180 Ų180101 Ų10184%0.84155%0.554SS**THydrogen-bonded Turntrans-119.610.4159-140.7-172.8104.600112P119P119-E121 PolarHBondContact O-N 2.93Å
122N46.6Very low49.8Very low100 Ų10099.3 Ų99.354%0.53553%0.527SS..  trans-124.960.8-175.8-163.377.7000110.8E124N122-E124 VanDerWaalsContact C-N 3.27Å; N122-E124 PolarHBondContact ND2-OE2 3.02Å; N122-E124 PolarHBondContact O-N 3.25Å
123Q51.1Low50.9Low124 Ų124101 Ų10158%0.57953%0.528SS*.  trans-56.5103.6156-79.5179.620.300106.1Y125Q123-Y125 HydrophobicContact CB-CE2 3.86Å; Q123-Y125 WeakPolarHBondContact O-CD2 3.23Å; Q123-Y125 VanDerWaalsContact O-CE2 3.23Å; Q123-Y125 WeakPolarHBondContact O-CE2 3.03Å; Q123-Y125 PolarHBondContact O-N 2.78Å; Q123-Y125 VanDerWaalsContact O-N 3.1Å; Q123-Y125 PolarHBondContact OE1-OH 2.94Å
124E61.5Low51.8Low31 Ų3195.2 Ų95.215%0.14550%0.503CS..EExtended strand (participates in β ladder)trans-82.5100.5-171-147.7165.980.600107.1N122 I150 K153 K178N122-E124 VanDerWaalsContact C-N 3.27Å; N122-E124 PolarHBondContact ND2-OE2 3.02Å; N122-E124 PolarHBondContact O-N 3.25Å; E124-I150 HydrophobicContact CB-CB 4.28Å; E124-I150 VanDerWaalsContact O-CB 3.3Å; E124-I150 WeakPolarHBondContact O-CB 3.39Å; E124-I150 VanDerWaalsContact O-CG1 3.3Å; E124-I150 WeakPolarHBondContact O-CG1 3.47Å; E124-I150 PolarHBondContact O-N 3.14Å; E124-K153 WeakPolarHBondContact OE1-CE 3.44Å; E124-K153 IonicContact OE1-NZ 3.9Å; E124-K153 PolarHBondContact OE1-NZ 3.01Å; E124-K153 IonicContact OE2-NZ 3.66Å; E124-K178 HydrophobicContact CG-CD 4.26Å; E124-K178 HydrophobicContact CG-CG 4.43Å; E124-K178 VanDerWaalsContact OE1-CD 3.3Å; E124-K178 WeakPolarHBondContact OE1-CD 3.37Å; E124-K178 WeakPolarHBondContact OE1-CE 3.25Å; E124-K178 IonicContact OE1-NZ 3.4Å; E124-K178 PolarHBondContact OE1-NZ 3.26Å; E124-K178 IonicContact OE2-NZ 3.97Å; E124-K178 PolarHBondContact OE2-NZ 3.48Å
125Y68.8Low52.4Low43 Ų4392.5 Ų92.517%0.16950%0.503CS..EExtended strand (participates in β ladder)trans-74136.9173.6-64.4-90.8000107.4Q123 V147 L148 I149 L179Q123-Y125 HydrophobicContact CB-CE2 3.86Å; Q123-Y125 WeakPolarHBondContact O-CD2 3.23Å; Q123-Y125 VanDerWaalsContact O-CE2 3.23Å; Q123-Y125 WeakPolarHBondContact O-CE2 3.03Å; Q123-Y125 PolarHBondContact O-N 2.78Å; Q123-Y125 VanDerWaalsContact O-N 3.1Å; Q123-Y125 PolarHBondContact OE1-OH 2.94Å; Y125-V147 HydrophobicContact CD1-CG1 3.9Å; Y125-V147 HydrophobicContact CG-CG1 4.45Å; Y125-L148 CarbonylContact C-O 3.57Å; Y125-L148 WeakPolarHBondContact CA-O 3.4Å; Y125-I149 HydrophobicContact CD1-CG1 3.94Å; Y125-I149 HydrophobicContact CE1-CD1 4.09Å; Y125-I149 HydrophobicContact CE1-CG1 3.7Å; Y125-L179 WeakPolarHBondContact O-CA 3.45Å; Y125-L179 WeakPolarHBondContact O-CB 3.26Å; Y125-L179 PolarHBondContact O-N 2.96Å
126V68.6Low53.3Low0 Ų093.1 Ų93.10%050%0.503CS..EExtended strand (participates in β ladder)trans-120.4143.3168.5-64.60000109.5V147 L148 I150 W159 I171 V176 E177 K178V126-V147 CarbonylContact O-C 3.57Å; V126-V147 VanDerWaalsContact O-CA 3.31Å; V126-V147 WeakPolarHBondContact O-CA 3.21Å; V126-L148 HydrophobicContact CG2-CB 3.85Å; V126-L148 PolarHBondContact N-O 2.94Å; V126-L148 PolarHBondContact O-N 3.41Å; V126-I150 HydrophobicContact CB-CD1 4.23Å; V126-I150 HydrophobicContact CB-CG1 4.26Å; V126-I150 HydrophobicContact CG1-CD1 3.75Å; V126-I150 HydrophobicContact CG1-CG1 3.44Å; V126-I150 VanDerWaalsContact CG1-CG1 3.44Å; V126-I150 HydrophobicContact CG2-CD1 3.44Å; V126-I150 VanDerWaalsContact CG2-CD1 3.44Å; V126-I150 HydrophobicContact CG2-CG1 3.91Å; V126-W159 HydrophobicContact CG1-CE3 4.36Å; V126-W159 HydrophobicContact CG1-CZ3 4.02Å; V126-I171 HydrophobicContact CG2-CD1 4.11Å; V126-V176 HydrophobicContact CB-CB 3.9Å; V126-V176 HydrophobicContact CB-CG2 4.12Å; V126-V176 HydrophobicContact CG1-CG2 4.26Å; V126-V176 HydrophobicContact CG2-CB 3.8Å; V126-V176 HydrophobicContact CG2-CG1 4.17Å; V126-V176 HydrophobicContact CG2-CG2 4.01Å; V126-E177 CarbonylContact C-O 3.57Å; V126-E177 WeakPolarHBondContact CA-O 3.42Å; V126-E177 WeakPolarHBondContact CB-O 3.29Å; V126-K178 HydrophobicContact CG1-CG 4.27Å
127R67.1Low53.8Low104 Ų10491 Ų9139%0.39251%0.51SS..EExtended strand (participates in β ladder)trans-99.2126.2169-177.6176.658.1-169.6-4.8108.2E146 V176 E177R127-E146 WeakPolarHBondContact CA-O 3.48Å; R127-V176 CarbonylContact O-C 3.56Å; R127-V176 WeakPolarHBondContact O-CA 3.3Å; R127-E177 IonicContact CZ-OE1 2.67Å; R127-E177 PolarHBondContact N-O 2.87Å; R127-E177 IonicContact NE-OE1 3.78Å; R127-E177 IonicContact NH2-OE1 3.37Å; R127-E177 PolarHBondContact NH2-OE1 2.92Å; R127-E177 PolarHBondContact O-N 3.39Å
128T70.8Confident54.8Low1 Ų192.2 Ų92.21%0.00651%0.506CS..EExtended strand (participates in β ladder)trans-69.2132.3175.255.90000109.9F142 K143 G145 E146 L148 Y175 V176T128-F142 VanDerWaalsContact CB-CD2 3.49Å; T128-F142 HydrophobicContact CG2-CB 3.95Å; T128-F142 HydrophobicContact CG2-CD1 4.3Å; T128-F142 HydrophobicContact CG2-CD2 3.17Å; T128-F142 HydrophobicContact CG2-CE2 3.64Å; T128-F142 HydrophobicContact CG2-CG 3.55Å; T128-F142 HydrophobicContact CG2-CZ 4.39Å; T128-K143 PolarHBondContact OG1-O 3.03Å; T128-G145 WeakPolarHBondContact O-CA 3.31Å; T128-G145 PolarHBondContact O-N 2.9Å; T128-G145 PolarHBondContact OG1-N 3.18Å; T128-E146 HydrophobicContact CG2-CB 4.47Å; T128-E146 WeakPolarHBondContact CG2-O 3.43Å; T128-E146 PolarHBondContact N-O 2.69Å; T128-E146 WeakPolarHBondContact OG1-CA 3.08Å; T128-E146 PolarHBondContact OG1-N 2.94Å; T128-E146 PolarHBondContact OG1-O 2.68Å; T128-L148 HydrophobicContact CG2-CD1 3.41Å; T128-L148 VanDerWaalsContact CG2-CD1 3.41Å; T128-L148 HydrophobicContact CG2-CG 3.75Å; T128-Y175 CarbonylContact C-O 3.55Å; T128-Y175 WeakPolarHBondContact CA-O 2.93Å; T128-V176 HydrophobicContact CG2-CG1 3.71Å
129L60.8Low56.2Low56 Ų5689.1 Ų89.129%0.29347%0.473SS..SBendtrans-97.5-17.6-179-63.2-179000112.3K144 Y175 E177L129-K144 WeakPolarHBondContact O-CD 3.41Å; L129-K144 VanDerWaalsContact O-CE 3.25Å; L129-K144 WeakPolarHBondContact O-CE 3.41Å; L129-K144 WeakPolarHBondContact O-CG 3.18Å; L129-Y175 PolarHBondContact N-O 3.17Å; L129-E177 HydrophobicContact CD1-CB 4Å; L129-E177 HydrophobicContact CD2-CB 4.09Å; L129-E177 HydrophobicContact CG-CB 4.05Å
130Y59.4Low57.5Low129 Ų12984.3 Ų84.351%0.50644%0.441SS..SBendtrans-138.5161.3-179.2-55.8-83.8000110F142 K144 Y175Y130-F142 WeakPolarHBondContact O-CD2 3.22Å; Y130-F142 VanDerWaalsContact O-CE2 3.24Å; Y130-F142 WeakPolarHBondContact O-CE2 3.27Å; Y130-K144 PolarHBondContact O-N 2.73Å; Y130-Y175 HydrophobicContact CD2-CD1 4.32Å; Y130-Y175 HydrophobicContact CD2-CG 4.28Å; Y130-Y175 HydrophobicContact CG-CD1 4.27Å
131D63.6Low58.9Low106 Ų10677 Ų7757%0.56741%0.411SS*.  trans-79.9148.516858.9-76.6000111.2F142D131-F142 WeakPolarHBondContact CA-O 3.14Å
132F62.7Low60.5Low36 Ų3668.8 Ų68.816%0.15837%0.372CS..BIsolated β-bridgetrans-143.8118.2179.3-179-112.2000108.1G134 D139 L140 P141 F142 W158 P172F132-G134 VanDerWaalsContact C-N 3.34Å; F132-D139 HydrophobicContact CE1-CB 3.86Å; F132-D139 WeakPolarHBondContact CE1-OD1 3.5Å; F132-D139 HydrophobicContact CZ-CB 4.29Å; F132-D139 WeakPolarHBondContact CZ-OD1 3.44Å; F132-L140 WeakPolarHBondContact CD1-O 3.37Å; F132-P141 CarbonylContact O-C 3.5Å; F132-P141 WeakPolarHBondContact O-CA 3.43Å; F132-F142 HydrophobicContact CB-CD1 3.97Å; F132-F142 HydrophobicContact CB-CD2 3.9Å; F132-F142 HydrophobicContact CB-CE1 3.54Å; F132-F142 HydrophobicContact CB-CE2 3.52Å; F132-F142 HydrophobicContact CB-CG 4.13Å; F132-F142 HydrophobicContact CB-CZ 3.33Å; F132-F142 HydrophobicContact CD1-CD1 4.02Å; F132-F142 AromaticContact CD1-CE1 3.54Å; F132-F142 HydrophobicContact CD1-CE1 3.54Å; F132-F142 HydrophobicContact CD1-CZ 4.12Å; F132-F142 HydrophobicContact CE1-CE1 4.49Å; F132-F142 HydrophobicContact CG-CD1 4.44Å; F132-F142 AromaticContact CG-CE1 3.81Å; F132-F142 HydrophobicContact CG-CE1 3.81Å; F132-F142 AromaticContact CG-CZ 3.9Å; F132-F142 HydrophobicContact CG-CZ 3.9Å; F132-F142 PolarHBondContact N-O 2.73Å; F132-F142 PolarHBondContact O-N 3.34Å; F132-W158 HydrophobicContact CZ-CH2 4.37Å; F132-P172 HydrophobicContact CD2-CG 4.08Å; F132-P172 HydrophobicContact CE2-CG 4.1Å; F132-P172 HydrophobicContact CG-CG 4.41Å; F132-P172 HydrophobicContact CZ-CG 4.44Å
133T62.4Low61.4Low124 Ų12471.4 Ų71.476%0.76138%0.379SS*.  trans-88-4.8-176.952.90000113.4
134G58.4Low62Low22 Ų2272.5 Ų72.523%0.22738%0.382CS..  trans69.4142.3-169.700000111.8F132 D139F132-G134 VanDerWaalsContact C-N 3.34Å; G134-D139 VanDerWaalsContact CA-CB 3.49Å
135S48.3Very low61.8Low110 Ų11073.1 Ų73.177%0.76940%0.396SS*.SBendtrans-109.3-25.2175.1-155.90000111.7D139S135-D139 PolarHBondContact N-OD2 2.66Å
136D48.4Very low61.7Low118 Ų11872.4 Ų72.463%0.63140%0.395SS*.SBendtrans-122.7163.3-175.1-70.5-80.9000112.1E138 D139D136-E138 PolarHBondContact O-N 3.34Å; D136-D139 WeakPolarHBondContact CB-OD2 3.48Å; D136-D139 PolarHBondContact N-OD2 2.93Å; D136-D139 WeakPolarHBondContact O-CB 3.2Å; D136-D139 PolarHBondContact O-N 3.08Å; D136-D139 VanDerWaalsContact O-N 3.16Å
137A48Very low61.9Low112 Ų11275.4 Ų75.493%0.92641%0.413SS*.THydrogen-bonded Turntrans-68.2-15.7-178.700000113.6
138E52.3Low62.2Low161 Ų16170.5 Ų70.575%0.75239%0.394SS*.THydrogen-bonded Turntrans-95.4-4.8178.1-53.7-148.2101.100112.8D136 G169 M170D136-E138 PolarHBondContact O-N 3.34Å; E138-G169 CarbonylContact O-C 3.58Å; E138-G169 VanDerWaalsContact O-CA 3.27Å; E138-G169 WeakPolarHBondContact O-CA 3.45Å; E138-M170 PolarHBondContact O-N 2.73Å
139D65.1Low62.3Low10 Ų1072.8 Ų72.85%0.05341%0.406CS..BIsolated β-bridgetrans-75.6140.7175.8-79.9-54.7000112.5F132 G134 S135 D136 P141 W158F132-D139 HydrophobicContact CE1-CB 3.86Å; F132-D139 WeakPolarHBondContact CE1-OD1 3.5Å; F132-D139 HydrophobicContact CZ-CB 4.29Å; F132-D139 WeakPolarHBondContact CZ-OD1 3.44Å; G134-D139 VanDerWaalsContact CA-CB 3.49Å; S135-D139 PolarHBondContact N-OD2 2.66Å; D136-D139 WeakPolarHBondContact CB-OD2 3.48Å; D136-D139 PolarHBondContact N-OD2 2.93Å; D136-D139 WeakPolarHBondContact O-CB 3.2Å; D136-D139 PolarHBondContact O-N 3.08Å; D136-D139 VanDerWaalsContact O-N 3.16Å; D139-P141 WeakPolarHBondContact O-CD 3.49Å; D139-W158 WeakPolarHBondContact OD1-CZ3 3.49Å
140L66.7Low63Low1 Ų170.7 Ų70.71%0.00540%0.395CS..  trans-93.2107.1167.9-175.668.4000109.7F132 F142 L148 A161 N163 R167 M170 I171F132-L140 WeakPolarHBondContact CD1-O 3.37Å; L140-F142 WeakPolarHBondContact O-CD1 3.44Å; L140-F142 PolarHBondContact O-N 2.97Å; L140-L148 HydrophobicContact CD2-CD1 4.28Å; L140-L148 HydrophobicContact CD2-CD2 4.17Å; L140-A161 HydrophobicContact CD2-CB 4.25Å; L140-A161 WeakPolarHBondContact CD2-O 3.47Å; L140-N163 HydrophobicContact CD1-CB 4.16Å; L140-N163 HydrophobicContact CD2-CB 4.13Å; L140-R167 HydrophobicContact CD1-CB 3.84Å; L140-R167 HydrophobicContact CD1-CG 3.66Å; L140-R167 WeakPolarHBondContact CD1-O 3.33Å; L140-M170 PolarHBondContact N-O 2.92Å; L140-I171 HydrophobicContact CB-CG2 3.78Å; L140-I171 HydrophobicContact CD2-CG2 4Å; L140-I171 HydrophobicContact CG-CG2 4.34Å
141P67.5Low63Low48 Ų4868.6 Ų68.631%0.31239%0.392SS..  trans-67.7134.3171.826-33.1000111F132 D139F132-P141 CarbonylContact O-C 3.5Å; F132-P141 WeakPolarHBondContact O-CA 3.43Å; D139-P141 WeakPolarHBondContact O-CD 3.49Å
142F71.9Confident62.6Low8 Ų868.1 Ų68.14%0.03539%0.387CS..BIsolated β-bridgetrans-142.4160.817857.1-99.7000111.9T128 Y130 D131 F132 L140 L148 I171 P172 Y175 V176T128-F142 VanDerWaalsContact CB-CD2 3.49Å; T128-F142 HydrophobicContact CG2-CB 3.95Å; T128-F142 HydrophobicContact CG2-CD1 4.3Å; T128-F142 HydrophobicContact CG2-CD2 3.17Å; T128-F142 HydrophobicContact CG2-CE2 3.64Å; T128-F142 HydrophobicContact CG2-CG 3.55Å; T128-F142 HydrophobicContact CG2-CZ 4.39Å; Y130-F142 WeakPolarHBondContact O-CD2 3.22Å; Y130-F142 VanDerWaalsContact O-CE2 3.24Å; Y130-F142 WeakPolarHBondContact O-CE2 3.27Å; D131-F142 WeakPolarHBondContact CA-O 3.14Å; F132-F142 HydrophobicContact CB-CD1 3.97Å; F132-F142 HydrophobicContact CB-CD2 3.9Å; F132-F142 HydrophobicContact CB-CE1 3.54Å; F132-F142 HydrophobicContact CB-CE2 3.52Å; F132-F142 HydrophobicContact CB-CG 4.13Å; F132-F142 HydrophobicContact CB-CZ 3.33Å; F132-F142 HydrophobicContact CD1-CD1 4.02Å; F132-F142 AromaticContact CD1-CE1 3.54Å; F132-F142 HydrophobicContact CD1-CE1 3.54Å; F132-F142 HydrophobicContact CD1-CZ 4.12Å; F132-F142 HydrophobicContact CE1-CE1 4.49Å; F132-F142 HydrophobicContact CG-CD1 4.44Å; F132-F142 AromaticContact CG-CE1 3.81Å; F132-F142 HydrophobicContact CG-CE1 3.81Å; F132-F142 AromaticContact CG-CZ 3.9Å; F132-F142 HydrophobicContact CG-CZ 3.9Å; F132-F142 PolarHBondContact N-O 2.73Å; F132-F142 PolarHBondContact O-N 3.34Å; L140-F142 WeakPolarHBondContact O-CD1 3.44Å; L140-F142 PolarHBondContact O-N 2.97Å; F142-L148 HydrophobicContact CB-CD1 4.07Å; F142-L148 HydrophobicContact CB-CD2 4.35Å; F142-L148 HydrophobicContact CD1-CD1 3.81Å; F142-L148 HydrophobicContact CE1-CD1 4.47Å; F142-L148 HydrophobicContact CG-CD1 3.97Å; F142-I171 HydrophobicContact CD1-CB 4.22Å; F142-I171 HydrophobicContact CD1-CG2 3.51Å; F142-I171 HydrophobicContact CE1-CB 3.55Å; F142-I171 HydrophobicContact CE1-CG2 3.35Å; F142-I171 HydrophobicContact CZ-CB 4.35Å; F142-P172 HydrophobicContact CZ-CG 4.31Å; F142-Y175 HydrophobicContact CE2-CD1 4.48Å; F142-Y175 HydrophobicContact CZ-CD1 4.45Å; F142-Y175 HydrophobicContact CZ-CG 4.49Å; F142-V176 HydrophobicContact CE2-CG1 4.42Å; F142-V176 HydrophobicContact CZ-CG1 4.25Å
143K65.5Low62.5Low155 Ų15570.6 Ų70.667%0.67440%0.397SS*.  trans-111.2147.4176.9-65.6-170.7177.4-164.50110T128 G145 E146T128-K143 PolarHBondContact OG1-O 3.03Å; K143-G145 PolarHBondContact O-N 3.3Å; K143-E146 HydrophobicContact CB-CG 3.95Å; K143-E146 VanDerWaalsContact O-CB 3.23Å; K143-E146 WeakPolarHBondContact O-CB 3Å; K143-E146 WeakPolarHBondContact O-CG 3.26Å; K143-E146 PolarHBondContact O-N 2.79Å
144K63.6Low61.4Low148 Ų14868.8 Ų68.864%0.64339%0.387SS*.THydrogen-bonded Turntrans-46.2126.8172175.2171.2-174.7175.10111.6L129 Y130L129-K144 WeakPolarHBondContact O-CD 3.41Å; L129-K144 VanDerWaalsContact O-CE 3.25Å; L129-K144 WeakPolarHBondContact O-CE 3.41Å; L129-K144 WeakPolarHBondContact O-CG 3.18Å; Y130-K144 PolarHBondContact O-N 2.73Å
145G57.4Low60.4Low43 Ų4372.4 Ų72.444%0.44340%0.398SS..THydrogen-bonded Turntrans93.6-5.8178.400000114.7T128 K143T128-G145 WeakPolarHBondContact O-CA 3.31Å; T128-G145 PolarHBondContact O-N 2.9Å; T128-G145 PolarHBondContact OG1-N 3.18Å; K143-G145 PolarHBondContact O-N 3.3Å
146E67.3Low60.4Low29 Ų2974.4 Ų74.414%0.13640%0.396CS..  trans-71.6142.1174.1-66.6-76.9113.200111.2R127 T128 K143 R164R127-E146 WeakPolarHBondContact CA-O 3.48Å; T128-E146 HydrophobicContact CG2-CB 4.47Å; T128-E146 WeakPolarHBondContact CG2-O 3.43Å; T128-E146 PolarHBondContact N-O 2.69Å; T128-E146 WeakPolarHBondContact OG1-CA 3.08Å; T128-E146 PolarHBondContact OG1-N 2.94Å; T128-E146 PolarHBondContact OG1-O 2.68Å; K143-E146 HydrophobicContact CB-CG 3.95Å; K143-E146 VanDerWaalsContact O-CB 3.23Å; K143-E146 WeakPolarHBondContact O-CB 3Å; K143-E146 WeakPolarHBondContact O-CG 3.26Å; K143-E146 PolarHBondContact O-N 2.79Å; E146-R164 IonicContact OE1-CZ 2.84Å; E146-R164 IonicContact OE1-NH1 3.06Å; E146-R164 PolarHBondContact OE1-NH1 2.93Å; E146-R164 IonicContact OE1-NH2 2.88Å; E146-R164 PolarHBondContact OE1-NH2 3.23Å; E146-R164 IonicContact OE2-CZ 3.51Å; E146-R164 IonicContact OE2-NE 3.38Å; E146-R164 PolarHBondContact OE2-NE 2.73Å; E146-R164 IonicContact OE2-NH1 2.85Å; E146-R164 PolarHBondContact OE2-NH1 3.12Å; E146-R164 IonicContact OE2-NH2 3.07Å; E146-R164 PolarHBondContact OE2-NH2 2.84Å
147V73.7Confident60.2Low63 Ų6375.7 Ų75.738%0.38240%0.398SS..EExtended strand (participates in β ladder)trans-97.5122175.8-179.70000109.1Y125 V126 L179Y125-V147 HydrophobicContact CD1-CG1 3.9Å; Y125-V147 HydrophobicContact CG-CG1 4.45Å; V126-V147 CarbonylContact O-C 3.57Å; V126-V147 VanDerWaalsContact O-CA 3.31Å; V126-V147 WeakPolarHBondContact O-CA 3.21Å; V147-L179 HydrophobicContact CG1-CD2 4.48Å
148L72.7Confident60.7Low0 Ų074.7 Ų74.70%037%0.37CS..EExtended strand (participates in β ladder)trans-111.2149.5177.8-51.1177.3000109.6Y125 V126 T128 L140 F142 A161 K162 N163 I171Y125-L148 CarbonylContact C-O 3.57Å; Y125-L148 WeakPolarHBondContact CA-O 3.4Å; V126-L148 HydrophobicContact CG2-CB 3.85Å; V126-L148 PolarHBondContact N-O 2.94Å; V126-L148 PolarHBondContact O-N 3.41Å; T128-L148 HydrophobicContact CG2-CD1 3.41Å; T128-L148 VanDerWaalsContact CG2-CD1 3.41Å; T128-L148 HydrophobicContact CG2-CG 3.75Å; L140-L148 HydrophobicContact CD2-CD1 4.28Å; L140-L148 HydrophobicContact CD2-CD2 4.17Å; F142-L148 HydrophobicContact CB-CD1 4.07Å; F142-L148 HydrophobicContact CB-CD2 4.35Å; F142-L148 HydrophobicContact CD1-CD1 3.81Å; F142-L148 HydrophobicContact CE1-CD1 4.47Å; F142-L148 HydrophobicContact CG-CD1 3.97Å; L148-A161 HydrophobicContact CB-CB 4.02Å; L148-A161 HydrophobicContact CD1-CB 4.31Å; L148-K162 WeakPolarHBondContact CA-O 3.39Å; L148-N163 HydrophobicContact CD2-CB 3.79Å; L148-N163 WeakPolarHBondContact CD2-OD1 3.23Å; L148-I171 HydrophobicContact CD1-CD1 3.82Å; L148-I171 HydrophobicContact CD1-CG2 3.91Å
149I73.6Confident61.3Low49 Ų4968.2 Ų68.225%0.25134%0.339SS..EExtended strand (participates in β ladder)trans-98.1116.5175.7-55.4173.2000106.8Y125 L151 A161 K162Y125-I149 HydrophobicContact CD1-CG1 3.94Å; Y125-I149 HydrophobicContact CE1-CD1 4.09Å; Y125-I149 HydrophobicContact CE1-CG1 3.7Å; I149-L151 PolarHBondContact O-N 3.38Å; I149-A161 CarbonylContact O-C 3.59Å; I149-A161 VanDerWaalsContact O-CA 3.24Å; I149-A161 WeakPolarHBondContact O-CA 3.18Å; I149-K162 HydrophobicContact CB-CB 4.45Å; I149-K162 PolarHBondContact N-O 3.1Å; I149-K162 PolarHBondContact O-N 3.16Å
150I73.8Confident61.2Low12 Ų1268.6 Ų68.66%0.06234%0.342CS..EExtended strand (participates in β ladder)trans-71.1117.8174.4-58-54.9000108.2E124 V126 K153 W159 A161 I171E124-I150 HydrophobicContact CB-CB 4.28Å; E124-I150 VanDerWaalsContact O-CB 3.3Å; E124-I150 WeakPolarHBondContact O-CB 3.39Å; E124-I150 VanDerWaalsContact O-CG1 3.3Å; E124-I150 WeakPolarHBondContact O-CG1 3.47Å; E124-I150 PolarHBondContact O-N 3.14Å; V126-I150 HydrophobicContact CB-CD1 4.23Å; V126-I150 HydrophobicContact CB-CG1 4.26Å; V126-I150 HydrophobicContact CG1-CD1 3.75Å; V126-I150 HydrophobicContact CG1-CG1 3.44Å; V126-I150 VanDerWaalsContact CG1-CG1 3.44Å; V126-I150 HydrophobicContact CG2-CD1 3.44Å; V126-I150 VanDerWaalsContact CG2-CD1 3.44Å; V126-I150 HydrophobicContact CG2-CG1 3.91Å; I150-K153 HydrophobicContact CG2-CG 3.77Å; I150-W159 HydrophobicContact CD1-CB 4.11Å; I150-W159 HydrophobicContact CD1-CD2 4.47Å; I150-W159 HydrophobicContact CD1-CE3 3.74Å; I150-W159 HydrophobicContact CG1-CE3 4.07Å; I150-W159 HydrophobicContact CG2-CB 4.43Å; I150-A161 HydrophobicContact CD1-CB 3.86Å; I150-I171 HydrophobicContact CD1-CD1 3.77Å
151L61.1Low61.6Low85 Ų8568.5 Ų68.545%0.44534%0.342SS..EExtended strand (participates in β ladder)trans-88.3-49.5175.9-66.7174.4000109.7I149 S160 K162 V168I149-L151 PolarHBondContact O-N 3.38Å; L151-S160 PolarHBondContact N-O 2.95Å; L151-K162 HydrophobicContact CD1-CB 3.81Å; L151-K162 HydrophobicContact CD1-CD 4.48Å; L151-K162 HydrophobicContact CD2-CB 4.48Å; L151-K162 HydrophobicContact CG-CB 4.08Å; L151-V168 HydrophobicContact CD1-CB 4.28Å; L151-V168 HydrophobicContact CD1-CG1 3.62Å; L151-V168 HydrophobicContact CD1-CG2 3.64Å
152E55.1Low61.8Low97 Ų9770.1 Ų70.145%0.45334%0.344SS..EExtended strand (participates in β ladder)trans-144.5146.2-175.4-65.417682.300110.7P154 S160E152-P154 WeakPolarHBondContact O-CD 3.45Å; E152-S160 PolarHBondContact N-O 3.22Å; E152-S160 PolarHBondContact O-N 2.8Å
153K58.9Low61.9Low88 Ų8870.4 Ų70.438%0.38335%0.346SS..  trans-115.871174.2-60-170.6-177.772.90109.2E124 I150 E155 W159E124-K153 WeakPolarHBondContact OE1-CE 3.44Å; E124-K153 IonicContact OE1-NZ 3.9Å; E124-K153 PolarHBondContact OE1-NZ 3.01Å; E124-K153 IonicContact OE2-NZ 3.66Å; I150-K153 HydrophobicContact CG2-CG 3.77Å; K153-E155 PolarHBondContact O-N 3.23Å; K153-W159 HydrophobicContact CB-CG 4.29Å; K153-W159 HydrophobicContact CD-CD2 4.01Å; K153-W159 HydrophobicContact CD-CG 4.38Å; K153-W159 HydrophobicContact CD-CZ2 3.9Å; K153-W159 HydrophobicContact CG-CD2 3.94Å; K153-W159 HydrophobicContact CG-CG 3.81Å
154P40Very low62Low85 Ų8571.9 Ų71.955%0.55235%0.347SS*.SBendtrans-61.6-26.2-177.723.7-31.4000112.2E152 M170E152-P154 WeakPolarHBondContact O-CD 3.45Å; P154-M170 HydrophobicContact CG-CE 4.26Å; P154-M170 HydrophobicContact CG-SD 4.5Å
155E38.7Very low61.8Low98 Ų9872.7 Ų72.746%0.45835%0.353SS..SBendtrans-150.3162.3-17646.5-171.466.800112.4K153 Q157 W158 W159K153-E155 PolarHBondContact O-N 3.23Å; E155-Q157 PolarHBondContact O-N 3Å; E155-W158 HydrophobicContact CG-CB 4Å; E155-W158 VanDerWaalsContact CG-O 3.23Å; E155-W158 WeakPolarHBondContact CG-O 3.41Å; E155-W158 WeakPolarHBondContact OE2-CB 3.48Å; E155-W159 VanDerWaalsContact O-CD1 3.24Å; E155-W159 PolarHBondContact O-NE1 3.21Å
156E46.5Very low61.8Low152 Ų15272.4 Ų72.471%0.7135%0.35SS*.SBendtrans-73.2-12.6-177.5-65-178.394.400113.2
157Q44.7Very low61.3Low145 Ų14578.8 Ų78.868%0.67837%0.373SS*.SBendtrans-112.9-23.9-173.1-59.6-168.7-86.600113.9E155 V173E155-Q157 PolarHBondContact O-N 3Å; Q157-V173 VanDerWaalsContact C-CG2 3.41Å; Q157-V173 WeakPolarHBondContact O-CG2 3.46Å; Q157-V173 PolarHBondContact O-N 2.82Å
158W58Low61.1Low91 Ų9179.3 Ų79.335%0.34538%0.377SS..EExtended strand (participates in β ladder)trans-136.4128.6177.6-67.267.3000111.6F132 D139 E155 M170 I171F132-W158 HydrophobicContact CZ-CH2 4.37Å; D139-W158 WeakPolarHBondContact OD1-CZ3 3.49Å; E155-W158 HydrophobicContact CG-CB 4Å; E155-W158 VanDerWaalsContact CG-O 3.23Å; E155-W158 WeakPolarHBondContact CG-O 3.41Å; E155-W158 WeakPolarHBondContact OE2-CB 3.48Å; W158-M170 HydrophobicContact CB-CE 3.67Å; W158-M170 HydrophobicContact CE3-CB 3.78Å; W158-M170 HydrophobicContact CZ3-CB 4.2Å; W158-I171 CarbonylContact C-O 3.44Å; W158-I171 WeakPolarHBondContact CA-O 3.48Å
159W65.4Low60.8Low25 Ų2579.7 Ų79.710%0.09538%0.381CS..EExtended strand (participates in β ladder)trans-111.8144.7178.1-66.4-14.3000110.6V126 I150 K153 E155 M170 I171 V173 V176 K178V126-W159 HydrophobicContact CG1-CE3 4.36Å; V126-W159 HydrophobicContact CG1-CZ3 4.02Å; I150-W159 HydrophobicContact CD1-CB 4.11Å; I150-W159 HydrophobicContact CD1-CD2 4.47Å; I150-W159 HydrophobicContact CD1-CE3 3.74Å; I150-W159 HydrophobicContact CG1-CE3 4.07Å; I150-W159 HydrophobicContact CG2-CB 4.43Å; K153-W159 HydrophobicContact CB-CG 4.29Å; K153-W159 HydrophobicContact CD-CD2 4.01Å; K153-W159 HydrophobicContact CD-CG 4.38Å; K153-W159 HydrophobicContact CD-CZ2 3.9Å; K153-W159 HydrophobicContact CG-CD2 3.94Å; K153-W159 HydrophobicContact CG-CG 3.81Å; E155-W159 VanDerWaalsContact O-CD1 3.24Å; E155-W159 PolarHBondContact O-NE1 3.21Å; W159-M170 CarbonylContact O-C 3.52Å; W159-M170 WeakPolarHBondContact O-CA 3.42Å; W159-I171 HydrophobicContact CB-CG1 4.17Å; W159-I171 PolarHBondContact N-O 2.92Å; W159-I171 WeakPolarHBondContact O-CG1 3.26Å; W159-I171 PolarHBondContact O-N 2.83Å; W159-V173 HydrophobicContact CB-CG2 4.33Å; W159-V173 HydrophobicContact CD2-CB 4.38Å; W159-V173 HydrophobicContact CD2-CG1 4.28Å; W159-V173 HydrophobicContact CD2-CG2 3.42Å; W159-V173 VanDerWaalsContact CD2-CG2 3.42Å; W159-V173 HydrophobicContact CE3-CG1 4.36Å; W159-V173 HydrophobicContact CE3-CG2 4.09Å; W159-V173 HydrophobicContact CG-CG2 3.49Å; W159-V173 VanDerWaalsContact CG-CG2 3.49Å; W159-V173 HydrophobicContact CH2-CG1 3.6Å; W159-V173 HydrophobicContact CZ2-CB 4.34Å; W159-V173 HydrophobicContact CZ2-CG1 3.46Å; W159-V173 VanDerWaalsContact CZ2-CG1 3.46Å; W159-V173 HydrophobicContact CZ2-CG2 3.89Å; W159-V173 HydrophobicContact CZ3-CG1 4.06Å; W159-V173 VanDerWaalsContact NE1-CG2 3.25Å; W159-V176 HydrophobicContact CE3-CG2 4.07Å; W159-V176 HydrophobicContact CZ3-CG2 4.11Å; W159-K178 HydrophobicContact CH2-CG 4.44Å; W159-K178 HydrophobicContact CZ3-CG 4.43Å
160S63.9Low60.3Low18 Ų1879.7 Ų79.713%0.12638%0.38CS..EExtended strand (participates in β ladder)trans-81.7122.3168.1-179.60000108.5L151 E152L151-S160 PolarHBondContact N-O 2.95Å; E152-S160 PolarHBondContact N-O 3.22Å; E152-S160 PolarHBondContact O-N 2.8Å
161A74.8Confident59.9Low0 Ų079.1 Ų79.10%038%0.377CS..EExtended strand (participates in β ladder)trans-130.5162-178.600000111.6L140 L148 I149 I150 V168 G169 I171L140-A161 HydrophobicContact CD2-CB 4.25Å; L140-A161 WeakPolarHBondContact CD2-O 3.47Å; L148-A161 HydrophobicContact CB-CB 4.02Å; L148-A161 HydrophobicContact CD1-CB 4.31Å; I149-A161 CarbonylContact O-C 3.59Å; I149-A161 VanDerWaalsContact O-CA 3.24Å; I149-A161 WeakPolarHBondContact O-CA 3.18Å; I150-A161 HydrophobicContact CD1-CB 3.86Å; A161-V168 WeakPolarHBondContact O-CA 3.07Å; A161-G169 PolarHBondContact N-O 3.33Å; A161-G169 PolarHBondContact O-N 3.35Å; A161-G169 VanDerWaalsContact O-N 3.07Å; A161-I171 HydrophobicContact CB-CD1 3.44Å; A161-I171 VanDerWaalsContact CB-CD1 3.44Å; A161-I171 HydrophobicContact CB-CG1 3.66Å; A161-I171 HydrophobicContact CB-CG2 4.09Å
162K70.6Confident59.9Low82 Ų8275.5 Ų75.536%0.35736%0.359SS..EExtended strand (participates in β ladder)trans-119.9129.2176.1-172.4172.9177.6178.10110.1L148 I149 L151 G166 R167 V168L148-K162 WeakPolarHBondContact CA-O 3.39Å; I149-K162 HydrophobicContact CB-CB 4.45Å; I149-K162 PolarHBondContact N-O 3.1Å; I149-K162 PolarHBondContact O-N 3.16Å; L151-K162 HydrophobicContact CD1-CB 3.81Å; L151-K162 HydrophobicContact CD1-CD 4.48Å; L151-K162 HydrophobicContact CD2-CB 4.48Å; L151-K162 HydrophobicContact CG-CB 4.08Å; K162-G166 WeakPolarHBondContact CE-O 3.15Å; K162-R167 WeakPolarHBondContact CA-O 3.29Å; K162-V168 HydrophobicContact CB-CG2 4.03Å; K162-V168 HydrophobicContact CD-CG2 3.99Å; K162-V168 HydrophobicContact CG-CG2 3.81Å
163N74.8Confident60.1Low14 Ų1472 Ų728%0.07534%0.344CS..  trans-82.2165.7173.5-161.25.7000111.4L140 L148 E165 G166 R167L140-N163 HydrophobicContact CD1-CB 4.16Å; L140-N163 HydrophobicContact CD2-CB 4.13Å; L148-N163 HydrophobicContact CD2-CB 3.79Å; L148-N163 WeakPolarHBondContact CD2-OD1 3.23Å; N163-E165 PolarHBondContact O-N 3.43Å; N163-E165 VanDerWaalsContact O-N 3.13Å; N163-G166 PolarHBondContact O-N 2.85Å; N163-R167 PolarHBondContact N-O 3.36Å
164R67Low60.1Low185 Ų18572.3 Ų72.370%0.69836%0.355SS*.THydrogen-bonded Turntrans-55.3-27.3175.166.1178.2176.5-134.6-11.1114.1E146 G166E146-R164 IonicContact OE1-CZ 2.84Å; E146-R164 IonicContact OE1-NH1 3.06Å; E146-R164 PolarHBondContact OE1-NH1 2.93Å; E146-R164 IonicContact OE1-NH2 2.88Å; E146-R164 PolarHBondContact OE1-NH2 3.23Å; E146-R164 IonicContact OE2-CZ 3.51Å; E146-R164 IonicContact OE2-NE 3.38Å; E146-R164 PolarHBondContact OE2-NE 2.73Å; E146-R164 IonicContact OE2-NH1 2.85Å; E146-R164 PolarHBondContact OE2-NH1 3.12Å; E146-R164 IonicContact OE2-NH2 3.07Å; E146-R164 PolarHBondContact OE2-NH2 2.84Å; R164-G166 PolarHBondContact O-N 3Å
165E59.1Low61Low165 Ų16572.7 Ų72.777%0.77135%0.346SS*.THydrogen-bonded Turntrans-79.7-0.1177.3-58.9-167.59700113.1N163 R167N163-E165 PolarHBondContact O-N 3.43Å; N163-E165 VanDerWaalsContact O-N 3.13Å; E165-R167 VanDerWaalsContact C-N 3.31Å; E165-R167 PolarHBondContact O-N 2.84Å
166G59.3Low62.3Low37 Ų3768.6 Ų68.638%0.38133%0.328SS..SBendtrans86.8-5.6177.200000115K162 N163 R164K162-G166 WeakPolarHBondContact CE-O 3.15Å; N163-G166 PolarHBondContact O-N 2.85Å; R164-G166 PolarHBondContact O-N 3Å
167R55.9Low63Low163 Ų16365.6 Ų65.662%0.61531%0.313SS*.  trans-69.6133.1175-172178.8-93.8-147.5-4110.3L140 K162 N163 E165L140-R167 HydrophobicContact CD1-CB 3.84Å; L140-R167 HydrophobicContact CD1-CG 3.66Å; L140-R167 WeakPolarHBondContact CD1-O 3.33Å; K162-R167 WeakPolarHBondContact CA-O 3.29Å; N163-R167 PolarHBondContact N-O 3.36Å; E165-R167 VanDerWaalsContact C-N 3.31Å; E165-R167 PolarHBondContact O-N 2.84Å
168V69.8Low63.7Low75 Ų7563.5 Ų63.546%0.45530%0.302SS..EExtended strand (participates in β ladder)trans-109.7140.9176.9177.40000108.3L151 A161 K162L151-V168 HydrophobicContact CD1-CB 4.28Å; L151-V168 HydrophobicContact CD1-CG1 3.62Å; L151-V168 HydrophobicContact CD1-CG2 3.64Å; A161-V168 WeakPolarHBondContact O-CA 3.07Å; K162-V168 HydrophobicContact CB-CG2 4.03Å; K162-V168 HydrophobicContact CD-CG2 3.99Å; K162-V168 HydrophobicContact CG-CG2 3.81Å
169G65.7Low63.5Low8 Ų862.1 Ų62.18%0.08230%0.301CS..EExtended strand (participates in β ladder)trans-178.7179.4174.700000111.1E138 A161E138-G169 CarbonylContact O-C 3.58Å; E138-G169 VanDerWaalsContact O-CA 3.27Å; E138-G169 WeakPolarHBondContact O-CA 3.45Å; A161-G169 PolarHBondContact N-O 3.33Å; A161-G169 PolarHBondContact O-N 3.35Å; A161-G169 VanDerWaalsContact O-N 3.07Å
170M63.4Low62.7Low48 Ų4866.4 Ų66.424%0.23633%0.33CS..EExtended strand (participates in β ladder)trans-82143-176-61.5-75.2-81.900111.4E138 L140 P154 W158 W159E138-M170 PolarHBondContact O-N 2.73Å; L140-M170 PolarHBondContact N-O 2.92Å; P154-M170 HydrophobicContact CG-CE 4.26Å; P154-M170 HydrophobicContact CG-SD 4.5Å; W158-M170 HydrophobicContact CB-CE 3.67Å; W158-M170 HydrophobicContact CE3-CB 3.78Å; W158-M170 HydrophobicContact CZ3-CB 4.2Å; W159-M170 CarbonylContact O-C 3.52Å; W159-M170 WeakPolarHBondContact O-CA 3.42Å
171I65.1Low61.6Low0 Ų073.1 Ų73.10%035%0.353CS..EExtended strand (participates in β ladder)trans-132.5140.3177.860.7159.8000110.6V126 L140 F142 L148 I150 W158 W159 A161 V173 V176V126-I171 HydrophobicContact CG2-CD1 4.11Å; L140-I171 HydrophobicContact CB-CG2 3.78Å; L140-I171 HydrophobicContact CD2-CG2 4Å; L140-I171 HydrophobicContact CG-CG2 4.34Å; F142-I171 HydrophobicContact CD1-CB 4.22Å; F142-I171 HydrophobicContact CD1-CG2 3.51Å; F142-I171 HydrophobicContact CE1-CB 3.55Å; F142-I171 HydrophobicContact CE1-CG2 3.35Å; F142-I171 HydrophobicContact CZ-CB 4.35Å; L148-I171 HydrophobicContact CD1-CD1 3.82Å; L148-I171 HydrophobicContact CD1-CG2 3.91Å; I150-I171 HydrophobicContact CD1-CD1 3.77Å; W158-I171 CarbonylContact C-O 3.44Å; W158-I171 WeakPolarHBondContact CA-O 3.48Å; W159-I171 HydrophobicContact CB-CG1 4.17Å; W159-I171 PolarHBondContact N-O 2.92Å; W159-I171 WeakPolarHBondContact O-CG1 3.26Å; W159-I171 PolarHBondContact O-N 2.83Å; A161-I171 HydrophobicContact CB-CD1 3.44Å; A161-I171 VanDerWaalsContact CB-CD1 3.44Å; A161-I171 HydrophobicContact CB-CG1 3.66Å; A161-I171 HydrophobicContact CB-CG2 4.09Å; I171-V173 PolarHBondContact O-N 2.82Å; I171-V176 HydrophobicContact CD1-CB 4.32Å; I171-V176 HydrophobicContact CD1-CG1 3.67Å; I171-V176 HydrophobicContact CD1-CG2 3.9Å
172P61.4Low59.7Low10 Ų1078.2 Ų78.27%0.06539%0.385CS..EExtended strand (participates in β ladder)trans-70.2126.2173.621.7-26.8000110.9F132 F142 P174 Y175F132-P172 HydrophobicContact CD2-CG 4.08Å; F132-P172 HydrophobicContact CE2-CG 4.1Å; F132-P172 HydrophobicContact CG-CG 4.41Å; F132-P172 HydrophobicContact CZ-CG 4.44Å; F142-P172 HydrophobicContact CZ-CG 4.31Å; P172-P174 VanDerWaalsContact C-CD 3.44Å; P172-P174 HydrophobicContact CB-CG 4.45Å; P172-Y175 HydrophobicContact CB-CD2 3.88Å; P172-Y175 HydrophobicContact CB-CG 4.29Å; P172-Y175 HydrophobicContact CG-CD1 4.26Å; P172-Y175 HydrophobicContact CG-CD2 3.77Å; P172-Y175 HydrophobicContact CG-CE2 4.4Å; P172-Y175 HydrophobicContact CG-CG 3.72Å; P172-Y175 WeakPolarHBondContact O-CB 3.43Å; P172-Y175 PolarHBondContact O-N 2.8Å
173V58.9Low58Low24 Ų2478.6 Ų78.615%0.14540%0.397CS..G310 helixtrans-53.7-43.4176.1-179.30000113.9Q157 W159 I171 Y175 V176Q157-V173 VanDerWaalsContact C-CG2 3.41Å; Q157-V173 WeakPolarHBondContact O-CG2 3.46Å; Q157-V173 PolarHBondContact O-N 2.82Å; W159-V173 HydrophobicContact CB-CG2 4.33Å; W159-V173 HydrophobicContact CD2-CB 4.38Å; W159-V173 HydrophobicContact CD2-CG1 4.28Å; W159-V173 HydrophobicContact CD2-CG2 3.42Å; W159-V173 VanDerWaalsContact CD2-CG2 3.42Å; W159-V173 HydrophobicContact CE3-CG1 4.36Å; W159-V173 HydrophobicContact CE3-CG2 4.09Å; W159-V173 HydrophobicContact CG-CG2 3.49Å; W159-V173 VanDerWaalsContact CG-CG2 3.49Å; W159-V173 HydrophobicContact CH2-CG1 3.6Å; W159-V173 HydrophobicContact CZ2-CB 4.34Å; W159-V173 HydrophobicContact CZ2-CG1 3.46Å; W159-V173 VanDerWaalsContact CZ2-CG1 3.46Å; W159-V173 HydrophobicContact CZ2-CG2 3.89Å; W159-V173 HydrophobicContact CZ3-CG1 4.06Å; W159-V173 VanDerWaalsContact NE1-CG2 3.25Å; I171-V173 PolarHBondContact O-N 2.82Å; V173-Y175 PolarHBondContact O-N 2.81Å; V173-V176 WeakPolarHBondContact O-CG2 3.35Å; V173-V176 PolarHBondContact O-N 2.91Å; V173-V176 VanDerWaalsContact O-N 3.12Å; V173-V176 VanDerWaalsContact O-O 3.11Å
174P60Low56.1Low93 Ų9384 Ų8460%0.60443%0.432SS*.G310 helixtrans-65.8-10.5179.821.6-29.8000113.7P172P172-P174 VanDerWaalsContact C-CD 3.44Å; P172-P174 HydrophobicContact CB-CG 4.45Å
175Y58.7Low54.6Low93 Ų9382.7 Ų82.737%0.36543%0.434SS..G310 helixtrans-94.2-1.2-179.2-75-127.7000112.5T128 L129 Y130 F142 P172 V173T128-Y175 CarbonylContact C-O 3.55Å; T128-Y175 WeakPolarHBondContact CA-O 2.93Å; L129-Y175 PolarHBondContact N-O 3.17Å; Y130-Y175 HydrophobicContact CD2-CD1 4.32Å; Y130-Y175 HydrophobicContact CD2-CG 4.28Å; Y130-Y175 HydrophobicContact CG-CD1 4.27Å; F142-Y175 HydrophobicContact CE2-CD1 4.48Å; F142-Y175 HydrophobicContact CZ-CD1 4.45Å; F142-Y175 HydrophobicContact CZ-CG 4.49Å; P172-Y175 HydrophobicContact CB-CD2 3.88Å; P172-Y175 HydrophobicContact CB-CG 4.29Å; P172-Y175 HydrophobicContact CG-CD1 4.26Å; P172-Y175 HydrophobicContact CG-CD2 3.77Å; P172-Y175 HydrophobicContact CG-CE2 4.4Å; P172-Y175 HydrophobicContact CG-CG 3.72Å; P172-Y175 WeakPolarHBondContact O-CB 3.43Å; P172-Y175 PolarHBondContact O-N 2.8Å; V173-Y175 PolarHBondContact O-N 2.81Å
176V64.4Low53.7Low13 Ų1381 Ų818%0.07944%0.437CS..EExtended strand (participates in β ladder)trans-137.6147.6-173.4-57.30000112.5V126 R127 T128 F142 W159 I171 V173V126-V176 HydrophobicContact CB-CB 3.9Å; V126-V176 HydrophobicContact CB-CG2 4.12Å; V126-V176 HydrophobicContact CG1-CG2 4.26Å; V126-V176 HydrophobicContact CG2-CB 3.8Å; V126-V176 HydrophobicContact CG2-CG1 4.17Å; V126-V176 HydrophobicContact CG2-CG2 4.01Å; R127-V176 CarbonylContact O-C 3.56Å; R127-V176 WeakPolarHBondContact O-CA 3.3Å; T128-V176 HydrophobicContact CG2-CG1 3.71Å; F142-V176 HydrophobicContact CE2-CG1 4.42Å; F142-V176 HydrophobicContact CZ-CG1 4.25Å; W159-V176 HydrophobicContact CE3-CG2 4.07Å; W159-V176 HydrophobicContact CZ3-CG2 4.11Å; I171-V176 HydrophobicContact CD1-CB 4.32Å; I171-V176 HydrophobicContact CD1-CG1 3.67Å; I171-V176 HydrophobicContact CD1-CG2 3.9Å; V173-V176 WeakPolarHBondContact O-CG2 3.35Å; V173-V176 PolarHBondContact O-N 2.91Å; V173-V176 VanDerWaalsContact O-N 3.12Å; V173-V176 VanDerWaalsContact O-O 3.11Å
177E62.3Low52.5Low88 Ų8882.8 Ų82.841%0.41146%0.455SS..EExtended strand (participates in β ladder)trans-120.6133.4-178.1177.8177.573.400110.4V126 R127 L129 L179V126-E177 CarbonylContact C-O 3.57Å; V126-E177 WeakPolarHBondContact CA-O 3.42Å; V126-E177 WeakPolarHBondContact CB-O 3.29Å; R127-E177 IonicContact CZ-OE1 2.67Å; R127-E177 PolarHBondContact N-O 2.87Å; R127-E177 IonicContact NE-OE1 3.78Å; R127-E177 IonicContact NH2-OE1 3.37Å; R127-E177 PolarHBondContact NH2-OE1 2.92Å; R127-E177 PolarHBondContact O-N 3.39Å; L129-E177 HydrophobicContact CD1-CB 4Å; L129-E177 HydrophobicContact CD2-CB 4.09Å; L129-E177 HydrophobicContact CG-CB 4.05Å; E177-L179 PolarHBondContact O-N 3.3Å
178K58.5Low51.5Low101 Ų10184 Ų8444%0.43947%0.468SS..EExtended strand (participates in β ladder)trans-65.4120.3178.7-64-173.7-178-158.30111.5E124 V126 W159 V180E124-K178 HydrophobicContact CG-CD 4.26Å; E124-K178 HydrophobicContact CG-CG 4.43Å; E124-K178 VanDerWaalsContact OE1-CD 3.3Å; E124-K178 WeakPolarHBondContact OE1-CD 3.37Å; E124-K178 WeakPolarHBondContact OE1-CE 3.25Å; E124-K178 IonicContact OE1-NZ 3.4Å; E124-K178 PolarHBondContact OE1-NZ 3.26Å; E124-K178 IonicContact OE2-NZ 3.97Å; E124-K178 PolarHBondContact OE2-NZ 3.48Å; V126-K178 HydrophobicContact CG1-CG 4.27Å; W159-K178 HydrophobicContact CH2-CG 4.44Å; W159-K178 HydrophobicContact CZ3-CG 4.43Å; K178-V180 PolarHBondContact O-N 2.77Å
179L53.9Low49.8Very low63 Ų6386 Ų8633%0.3348%0.483SS..EExtended strand (participates in β ladder)trans-92.389.9174-170.180.7000109.2Y125 V147 E177 R181Y125-L179 WeakPolarHBondContact O-CA 3.45Å; Y125-L179 WeakPolarHBondContact O-CB 3.26Å; Y125-L179 PolarHBondContact O-N 2.96Å; V147-L179 HydrophobicContact CG1-CD2 4.48Å; E177-L179 PolarHBondContact O-N 3.3Å; L179-R181 PolarHBondContact O-N 3.13Å
180V49.1Very low48.5Very low115 Ų11591 Ų9170%0.69751%0.512SS*.  trans-74.3113.8170.9-173.90000108K178K178-V180 PolarHBondContact O-N 2.77Å
181R40.8Very low47.2Very low159 Ų15997.8 Ų97.860%0.654%0.543SS*.PPolyproline II helixtrans-73.3126.5167.2-66.1-174-165.61777.5107.7L179L179-R181 PolarHBondContact O-N 3.13Å
182P35.7Very low45.5Very low106 Ų106101.2 Ų101.269%0.68858%0.577SS**PPolyproline II helixtrans-62.4137.8167.126.4-31.1000108.4
183P33.4Very low44.2Very low91 Ų91105.8 Ų105.859%0.59161%0.61SS**PPolyproline II helixtrans-59.4147.3177.523.7-31.8000110.3H185P183-H185 PolarHBondContact O-CD2 3.42Å; P183-H185 PolarHBondContact O-N 3.49Å; P183-H185 PolarHBondContact O-NE2 3.22Å
184P35.1Very low42.9Very low126 Ų126115.5 Ų115.582%0.81864%0.644SS**  trans-72.3113.6169.629-30.1000108.4P186P184-P186 VanDerWaalsContact O-CD 3.27Å; P184-P186 WeakPolarHBondContact O-CD 3.38Å
185H36.3Very low41.4Very low158 Ų158117.8 Ų117.873%0.73165%0.651SS**  trans-77.3118.3176.5-40.4164.1000108.3P183P183-H185 PolarHBondContact O-CD2 3.42Å; P183-H185 PolarHBondContact O-N 3.49Å; P183-H185 PolarHBondContact O-NE2 3.22Å
186P40.3Very low40.4Very low129 Ų129118.2 Ų118.284%0.83867%0.668SS**  trans-80.1122169.231.2-28.9000109.2P184P184-P186 VanDerWaalsContact O-CD 3.27Å; P184-P186 WeakPolarHBondContact O-CD 3.38Å
187G33.8Very low38.8Very low75 Ų75125 Ų12577%0.77370%0.704SS**  trans100.883.5162.800000114.8
188Q34.6Very low37.5Very low190 Ų190125.6 Ų125.689%0.88872%0.718SS**  trans-102.2111.2156.1-171.5174.466.600107.8
189P34.9Very low36.3Very low117 Ų117132.2 Ų132.276%0.7674%0.741SS**  trans-89.5129.1154.7142.9000109.2
190T37.9Very low35.1Very low113 Ų113131.9 Ų131.969%0.69375%0.753SS**  trans-53.7148.6164.947.60000113.2
191H35.8Very low34.6Very low190 Ų190133.6 Ų133.688%0.8876%0.757SS**  trans72.9117.5155.3-87.8-108.8000119.6
192G30.1Very low34.6Very low71 Ų71131.6 Ų131.673%0.73276%0.764SS**  98109.3119.300000118.9
193S32.9Very low34.7Very low107 Ų107134.7 Ų134.775%0.74877%0.77SS**  trans77.3119.8130.2-157.90000120.8
194R31.6Very low35.1Very low227 Ų227135.8 Ų135.886%0.85778%0.776SS**  trans81.1135.7136.9-93.5178.4172.6171.3-2.7121.6
195N29.5Very low34.9Very low142 Ų142134.1 Ų134.176%0.75977%0.774SS**  trans96.789145-93.934.6000120.1
196S36.5Very low35.4Very low101 Ų101136.1 Ų136.171%0.70678%0.783SS**  18.6129.6120.2-53.90000121.2
197N31.5Very low34.8Very low157 Ų157133.8 Ų133.884%0.8477%0.774SS**  -179.496.7118.8-102.716.5000107.9
198S34.7Very low34.5Very low100 Ų100141.3 Ų141.370%0.69978%0.781SS**  67.8106.868.2-170.50000115.6
199Y33.7Very low34.2Very low240 Ų240137.4 Ų137.494%0.94178%0.781SS**  -158.5118.5129.6-85.3-79000104.4
200G28.9Very low33.8Very low55 Ų55140.9 Ų140.957%0.56779%0.787SS**  cis107.177.325.400000109.9
201I39.3Very low33.9Very low152 Ų152140.9 Ų140.978%0.77979%0.789SS**  79.2138.1104.1-65.6163.9000112.7
202P40.8Very low33.4Very low117 Ų117140.3 Ų140.376%0.7679%0.787SS**  -140.2142.159.526.4-0.6000117.8
203E36.4Very low33.3Very low171 Ų171143.3 Ų143.380%0.79979%0.791SS**  66.6156.485.4-111.9-16263.700114.8
204P42.3Very low33.1Very low113 Ų113143.7 Ų143.773%0.73479%0.794SS**  cis-128170.22.537.6-17.2000113.1
205A31.5Very low33Very low92 Ų92138.2 Ų138.276%0.7679%0.79SS**  cis-153.7133.929.200000111.2
206H46.1Very low33.2Very low199 Ų199137.4 Ų137.492%0.92179%0.793SS**  trans-82.7135.9153.1-104.9-122.9000108
207A27.4Very low32.9Very low80 Ų80136.1 Ų136.166%0.66180%0.796SS**  trans-165.1112.4151.800000111.7
208Y29.3Very low32.8Very low234 Ų234135.8 Ų135.892%0.91880%0.799SS**  trans84.493.2165-60.8-83.7000119.6
209A27.4Very low32.7Very low107 Ų107136.9 Ų136.988%0.88480%0.804SS**  -165.7145.1121.500000111.5
210Q27.2Very low32.4Very low191 Ų191128.4 Ų128.489%0.89379%0.79SS**  trans-82.2174.3-162.5-97.9178.1-78.600116.4
211P38.8Very low32.4Very low113 Ų113130.6 Ų130.673%0.73480%0.802SS**  trans-89.5136.7-167.334.2-31.8000113.8
212Q25.8Very low31.9Very low177 Ų177129.3 Ų129.383%0.82780%0.801SS**  trans-147.6104.5170.4-67.9-166-13.300110.6
213T27Very low31.6Very low135 Ų135131.2 Ų131.283%0.82880%0.803SS**  78.1123104.557.50000115.4
214S28.7Very low31.4Very low114 Ų114128.2 Ų128.280%0.79780%0.797SS**  trans-81131.4-178.9-49.50000113
215S29.5Very low30.9Very low113 Ų113128 Ų12879%0.7980%0.796SS**  trans68.7157.6149.739.90000119.4
216P35.6Very low31Very low125 Ų125129 Ų12981%0.81279%0.787SS**  cis-134.2160.310.734.1-13.6000117.2
217G28.4Very low30.6Very low74 Ų74122.6 Ų122.676%0.76376%0.764SS**  trans63101.814400000118.9P219G217-P219 WeakPolarHBondContact O-CD 3.39Å
218T30.6Very low31Very low150 Ų150123.6 Ų123.692%0.9277%0.766SS**  trans-79.9115.3162.326.50000111.2
219P32.1Very low31.4Very low123 Ų123119.4 Ų119.480%0.79976%0.756SS**  trans-90.4127.5153.131.2-29.6000110.1G217G217-P219 WeakPolarHBondContact O-CD 3.39Å
220G28.2Very low31.9Very low62 Ų62122.4 Ų122.464%0.63975%0.752SS**  trans72.891.215300000116.3V222G220-V222 PolarHBondContact O-N 2.94Å
221A27.9Very low32.4Very low100 Ų100120.4 Ų120.483%0.82675%0.748SS**  trans-62.195.7145.400000106.9I223A221-I223 PolarHBondContact O-N 3.04Å
222V29.5Very low32.9Very low125 Ų125118.1 Ų118.176%0.75875%0.745SS**  trans-65.5101.3169.8-174.60000105.7G220 T224G220-V222 PolarHBondContact O-N 2.94Å; V222-T224 VanDerWaalsContact C-N 3.29Å; V222-T224 PolarHBondContact O-N 3.23Å
223I34.8Very low34.2Very low157 Ų157114.6 Ų114.681%0.80574%0.737SS**  trans-75.191.7170.7-57.2178.4000105.5A221A221-I223 PolarHBondContact O-N 3.04Å
224T30.9Very low36.2Very low109 Ų109109.3 Ų109.367%0.66970%0.704SS**PPolyproline II helixtrans-60.7128.8170-34.30000107.7V222 L226V222-T224 VanDerWaalsContact C-N 3.29Å; V222-T224 PolarHBondContact O-N 3.23Å; T224-L226 PolarHBondContact O-N 3.18Å
225P32.5Very low38.4Very low108 Ų108106 Ų10670%0.70168%0.677SS**PPolyproline II helixtrans-58.3136.7-17922.4-32.5000110.1P227P225-P227 WeakPolarHBondContact O-CD 3.41Å
226L33.6Very low40.6Very low112 Ų112100.6 Ų100.659%0.58664%0.639SS**PPolyproline II helixtrans-53.7124.7168.4-100.687.6000108.1T224 S228 M265T224-L226 PolarHBondContact O-N 3.18Å; L226-S228 PolarHBondContact O-N 2.88Å; L226-M265 HydrophobicContact CD2-SD 4.05Å
227P37.2Very low42.4Very low66 Ų6699.3 Ų99.343%0.42962%0.621SS.*PPolyproline II helixtrans-62.9132.2176.923.8-30.5000109.3P225P225-P227 WeakPolarHBondContact O-CD 3.41Å
228S35.3Very low44.6Very low101 Ų10195.8 Ų95.871%0.70659%0.585SS**PPolyproline II helixtrans-52.6139.6179.7-530000111.5L226 Q230L226-S228 PolarHBondContact O-N 2.88Å; S228-Q230 PolarHBondContact O-N 3.47Å
229M38.9Very low46.3Very low146 Ų14693.1 Ų93.172%0.71956%0.564SS**THydrogen-bonded Turntrans-63.628.9177.1-69.6-86.5102.600114.6V234 M265M229-V234 HydrophobicContact CE-CG2 4.01Å; M229-M265 HydrophobicContact CE-CE 4.46Å; M229-M265 HydrophobicContact CE-SD 3.95Å
230Q37.7Very low47.4Very low170 Ų17091.9 Ų91.979%0.79455%0.548SS*.THydrogen-bonded Turntrans-102.4-2-176.7-100.6179.62300115.1S228S228-Q230 PolarHBondContact O-N 3.47Å
231N36.7Very low49.3Very low149 Ų14994.6 Ų94.680%0.79754%0.542SS*.SBendtrans-144.191.6-176.9-65-78.6000113.1
232G49.8Very low50.9Low65 Ų6592.9 Ų92.967%0.6751%0.514SS*.SBendtrans72.8175.3160.500000117.6V234G232-V234 PolarHBondContact O-N 3.4Å
233P54.1Low52.7Low102 Ų10292.3 Ų92.366%0.66251%0.51SS*.  trans-66.7123.2178.826.5-31.9000110.3T261P233-T261 HydrophobicContact CB-CG2 3.9Å
234V68.9Low53.8Low24 Ų2486.3 Ų86.315%0.14548%0.482CS..EExtended strand (participates in β ladder)trans-76.4131.8179.8-176.60000109.6M229 G232 V262 M265 I289M229-V234 HydrophobicContact CE-CG2 4.01Å; G232-V234 PolarHBondContact O-N 3.4Å; V234-V262 HydrophobicContact CB-CB 4.34Å; V234-V262 WeakPolarHBondContact O-CA 3.4Å; V234-V262 WeakPolarHBondContact O-CB 3.35Å; V234-V262 PolarHBondContact O-N 3.4Å; V234-M265 HydrophobicContact CB-CE 3.36Å; V234-M265 HydrophobicContact CG1-CE 3.23Å; V234-M265 HydrophobicContact CG2-CE 3.6Å; V234-I289 HydrophobicContact CG1-CG1 4.44Å; V234-I289 HydrophobicContact CG1-CG2 3.76Å
235I74.1Confident54.7Low44 Ų4485.8 Ų85.823%0.22648%0.482CS..EExtended strand (participates in β ladder)trans-107137.3-179.9-52.3179000108.8I259 I290I235-I259 HydrophobicContact CG2-CG2 3.19Å; I235-I290 HydrophobicContact CB-CG1 4.12Å; I235-I290 HydrophobicContact CG2-CD1 3.87Å; I235-I290 HydrophobicContact CG2-CG1 3.83Å; I235-I290 PolarHBondContact O-N 2.77Å; I235-I290 VanDerWaalsContact O-O 3.06Å
236A76.3Confident55.2Low0 Ų085.5 Ų85.50%049%0.488CS..EExtended strand (participates in β ladder)trans-131.9140.9175.900000110.7V260 V262 V287 K288A236-V260 PolarHBondContact N-O 3.31Å; A236-V260 PolarHBondContact O-N 3.28Å; A236-V262 HydrophobicContact CB-CG2 3.62Å; A236-V287 HydrophobicContact CB-CB 3.95Å; A236-V287 HydrophobicContact CB-CG2 3.93Å; A236-K288 CarbonylContact C-O 3.46Å; A236-K288 VanDerWaalsContact CA-O 3.26Å; A236-K288 WeakPolarHBondContact CA-O 2.96Å
237K72.3Confident55.8Low98 Ų9890.8 Ų90.843%0.42650%0.502SS..EExtended strand (participates in β ladder)trans-95.4128.1174.7-176.1173.7-179-177.80109.8I239 D258 I259 V287 K288 I290K237-I239 PolarHBondContact O-N 3.36Å; K237-D258 CarbonylContact C-O 3.5Å; K237-D258 WeakPolarHBondContact CA-O 3.08Å; K237-I259 HydrophobicContact CB-CD1 3.97Å; K237-I259 HydrophobicContact CD-CD1 4.22Å; K237-I259 HydrophobicContact CG-CD1 3.87Å; K237-V287 CarbonylContact O-C 3.53Å; K237-V287 VanDerWaalsContact O-CA 3.32Å; K237-V287 WeakPolarHBondContact O-CA 3.48Å; K237-K288 PolarHBondContact N-O 2.76Å; K237-K288 PolarHBondContact O-N 3.41Å; K237-I290 HydrophobicContact CB-CD1 4.41Å; K237-I290 HydrophobicContact CB-CG2 3.99Å
238A74.3Confident56.9Low1 Ų191.2 Ų91.21%0.00850%0.501CS..EExtended strand (participates in β ladder)trans-67.5123.9175.600000110.7L254 E255 G257 D258 H286 V287A238-L254 HydrophobicContact CB-CB 4.2Å; A238-L254 HydrophobicContact CB-CD2 4.48Å; A238-E255 WeakPolarHBondContact CB-O 3.4Å; A238-G257 PolarHBondContact O-N 2.98Å; A238-D258 HydrophobicContact CB-CB 4.03Å; A238-D258 PolarHBondContact N-O 2.81Å; A238-H286 CarbonylContact C-O 3.48Å; A238-H286 WeakPolarHBondContact CA-O 3.25Å; A238-V287 HydrophobicContact CB-CG1 4.34Å
239I67.3Low57.8Low94 Ų9496 Ų9648%0.48251%0.509SS..  trans-104.6-11178.258.6169.4000111.9K237 H286 K288K237-I239 PolarHBondContact O-N 3.36Å; I239-H286 WeakPolarHBondContact CG1-O 3.49Å; I239-H286 PolarHBondContact N-O 3.11Å; I239-K288 HydrophobicContact CG2-CB 3.85Å
240Q54.7Low58.8Low97 Ų9793.1 Ų93.145%0.45350%0.499SS..SBendtrans-137.2130.8179.7-172.1161.380.700111.1H286Q240-H286 HydrophobicContact CB-CB 3.94Å; Q240-H286 PolarHBondContact N-O 2.73Å; Q240-H286 PolarHBondContact OE1-CD2 3.41Å; Q240-H286 PolarHBondContact OE1-CE1 3.31Å; Q240-H286 PolarHBondContact OE1-ND1 3.32Å; Q240-H286 PolarHBondContact OE1-NE2 3.15Å
241K67.6Low60.2Low119 Ų11985.8 Ų85.852%0.51747%0.468SS..  trans-69.2134.6179.3-175.8168.5-175.21510110.3L254 E255 V256K241-L254 CarbonylContact C-O 3.35Å; K241-L254 WeakPolarHBondContact CA-O 3.42Å; K241-E255 IonicContact NZ-OE2 3.7Å; K241-E255 PolarHBondContact NZ-OE2 3.23Å; K241-V256 HydrophobicContact CB-CG2 4.05Å; K241-V256 VanDerWaalsContact N-CG2 3.35Å
242R62.2Low61.9Low64 Ų6478.8 Ų78.824%0.24243%0.43CS..BIsolated β-bridgetrans-135.4120.1174.6-171.8177-178.6-143.13.8110.9A253 L254 L281R242-A253 WeakPolarHBondContact O-CA 3.36Å; R242-L254 HydrophobicContact CB-CB 4.18Å; R242-L254 PolarHBondContact N-O 3.17Å; R242-L254 PolarHBondContact O-N 3.4Å; R242-L281 PolarHBondContact NH1-O 2.85Å
243V67.4Low63Low112 Ų11276.7 Ų76.768%0.67941%0.406SS*.  trans-104.8115.2171.9-1750000107.9
244P58.8Low63.9Low32 Ų3272 Ų7221%0.20838%0.376CS..  trans-61.8146.2175.2-21.733.9000110.7A251 A253P244-A251 HydrophobicContact CB-CB 4Å; P244-A251 HydrophobicContact CG-CB 4.27Å; P244-A251 WeakPolarHBondContact CG-O 3.13Å; P244-A253 HydrophobicContact CG-CB 3.69Å
245C49.4Very low64Low98 Ų9875.9 Ų75.966%0.66239%0.393SS*.  trans-61143.2168.1-71.10000109.6Y247 D248C245-Y247 PolarHBondContact O-N 2.89Å; C245-D248 HydrophobicContact CB-CB 4.45Å; C245-D248 PolarHBondContact O-N 2.76Å
246A43.3Very low63.9Low102 Ų10278.1 Ų78.184%0.84341%0.408SS*.THydrogen-bonded Turntrans-58.4-15.7-174.100000115.3
247Y46.5Very low63.2Low223 Ų22379.8 Ų79.888%0.87543%0.425SS*.THydrogen-bonded Turntrans-98.5-9.3177.7-58.5-79.4000113.7C245 K249C245-Y247 PolarHBondContact O-N 2.89Å; Y247-K249 PolarHBondContact O-N 2.84Å
248D59.7Low63.3Low74 Ų7476.8 Ų76.840%0.39641%0.414SS..  trans-9197.3-178.5-161.4-63.7000110C245 T250 A251C245-D248 HydrophobicContact CB-CB 4.45Å; C245-D248 PolarHBondContact O-N 2.76Å; D248-T250 VanDerWaalsContact C-N 3.28Å; D248-T250 PolarHBondContact OD1-N 2.83Å; D248-T250 PolarHBondContact OD1-OG1 3.33Å; D248-A251 HydrophobicContact CB-CB 4.34Å; D248-A251 WeakPolarHBondContact OD1-CA 3.39Å; D248-A251 WeakPolarHBondContact OD1-CB 3.5Å; D248-A251 PolarHBondContact OD1-N 3.36Å
249K54.3Low63.5Low203 Ų20380.7 Ų80.788%0.88343%0.433SS*.SBendtrans-81.9-6.3-178.4-62.3-174.2-179.5-176.90113.2Y247Y247-K249 PolarHBondContact O-N 2.84Å
250T60.2Low63.9Low85 Ų8576.2 Ų76.252%0.52141%0.41SS..SBendtrans-108-18.2-173.760.50000112.6D248 G280 L281D248-T250 VanDerWaalsContact C-N 3.28Å; D248-T250 PolarHBondContact OD1-N 2.83Å; D248-T250 PolarHBondContact OD1-OG1 3.33Å; T250-G280 CarbonylContact O-C 3.59Å; T250-G280 WeakPolarHBondContact O-CA 3.31Å; T250-L281 PolarHBondContact O-N 3.46Å
251A65.9Low64.9Low15 Ų1573.9 Ų73.912%0.12440%0.403CS..BIsolated β-bridgetrans-80.9134.7177.300000112.4P244 D248 L281P244-A251 HydrophobicContact CB-CB 4Å; P244-A251 HydrophobicContact CG-CB 4.27Å; P244-A251 WeakPolarHBondContact CG-O 3.13Å; D248-A251 HydrophobicContact CB-CB 4.34Å; D248-A251 WeakPolarHBondContact OD1-CA 3.39Å; D248-A251 WeakPolarHBondContact OD1-CB 3.5Å; D248-A251 PolarHBondContact OD1-N 3.36Å; A251-L281 WeakPolarHBondContact CA-O 3.47Å
252L72.7Confident65.2Low2 Ų268.5 Ų68.51%0.0138%0.38CS..PPolyproline II helixtrans-83.4130.3175.3-16168.1000110.9L254 V260 V275 R278 L281 F282L252-L254 HydrophobicContact CD2-CD2 3.99Å; L252-L254 HydrophobicContact CG-CD2 4.35Å; L252-V260 HydrophobicContact CD2-CG1 3.99Å; L252-V275 HydrophobicContact CD1-CG1 3.94Å; L252-V275 HydrophobicContact CD2-CB 4.11Å; L252-V275 HydrophobicContact CD2-CG1 3.66Å; L252-V275 HydrophobicContact CG-CG1 3.75Å; L252-R278 HydrophobicContact CD1-CB 4.02Å; L252-R278 WeakPolarHBondContact CD1-O 2.96Å; L252-L281 PolarHBondContact N-O 3.19Å; L252-F282 HydrophobicContact CB-CB 4.48Å; L252-F282 HydrophobicContact CB-CD1 4.13Å; L252-F282 HydrophobicContact CD2-CD1 3.66Å; L252-F282 HydrophobicContact CD2-CE1 4Å
253A73.3Confident65.2Low21 Ų2169.7 Ų69.717%0.17439%0.394CS..PPolyproline II helixtrans-76.9129.8169.900000109.9R242 P244 V275R242-A253 WeakPolarHBondContact O-CA 3.36Å; P244-A253 HydrophobicContact CG-CB 3.69Å; A253-V275 WeakPolarHBondContact O-CG1 3.42Å
254L73Confident64.9Low5 Ų571.7 Ų71.73%0.02639%0.39CS..BIsolated β-bridgetrans-123.9134.6-179.4-62.6178.8000109.7A238 K241 R242 L252 V260 V275 F282 H286 V287A238-L254 HydrophobicContact CB-CB 4.2Å; A238-L254 HydrophobicContact CB-CD2 4.48Å; K241-L254 CarbonylContact C-O 3.35Å; K241-L254 WeakPolarHBondContact CA-O 3.42Å; R242-L254 HydrophobicContact CB-CB 4.18Å; R242-L254 PolarHBondContact N-O 3.17Å; R242-L254 PolarHBondContact O-N 3.4Å; L252-L254 HydrophobicContact CD2-CD2 3.99Å; L252-L254 HydrophobicContact CG-CD2 4.35Å; L254-V260 HydrophobicContact CD2-CG2 3.46Å; L254-V260 VanDerWaalsContact CD2-CG2 3.46Å; L254-V275 HydrophobicContact CD2-CG1 4.35Å; L254-F282 HydrophobicContact CD1-CB 3.61Å; L254-F282 HydrophobicContact CD1-CD2 4.09Å; L254-F282 HydrophobicContact CD1-CG 3.86Å; L254-F282 HydrophobicContact CG-CB 4.32Å; L254-H286 HydrophobicContact CD1-CB 4.34Å; L254-V287 HydrophobicContact CD1-CG1 3.9Å
255E71.1Confident64.9Low105 Ų10571.8 Ų71.849%0.49139%0.388SS..  trans-105.8149.8163.6-167.4149.988.800110.6A238 K241 G257 D258A238-E255 WeakPolarHBondContact CB-O 3.4Å; K241-E255 IonicContact NZ-OE2 3.7Å; K241-E255 PolarHBondContact NZ-OE2 3.23Å; E255-G257 PolarHBondContact O-N 2.82Å; E255-G257 VanDerWaalsContact O-N 3.12Å; E255-D258 WeakPolarHBondContact CB-OD2 3.48Å; E255-D258 PolarHBondContact N-OD2 3.44Å; E255-D258 WeakPolarHBondContact O-CB 3.48Å; E255-D258 PolarHBondContact O-N 2.78Å
256V71.4Confident64.8Low91 Ų9170.4 Ų70.455%0.55237%0.374SS*.THydrogen-bonded Turntrans-61.1121.6176.9179.70000108.3K241K241-V256 HydrophobicContact CB-CG2 4.05Å; K241-V256 VanDerWaalsContact N-CG2 3.35Å
257G62.2Low64.8Low34 Ų3472.3 Ų72.335%0.35137%0.369SS..THydrogen-bonded Turntrans103.4-11.6-176.200000115A238 E255A238-G257 PolarHBondContact O-N 2.98Å; E255-G257 PolarHBondContact O-N 2.82Å; E255-G257 VanDerWaalsContact O-N 3.12Å
258D74.1Confident64.7Low36 Ų3666.7 Ų66.719%0.19336%0.362CS..  trans-60.5140.6176.9-99.8-49.8000111.9K237 A238 E255 V275 N276K237-D258 CarbonylContact C-O 3.5Å; K237-D258 WeakPolarHBondContact CA-O 3.08Å; A238-D258 HydrophobicContact CB-CB 4.03Å; A238-D258 PolarHBondContact N-O 2.81Å; E255-D258 WeakPolarHBondContact CB-OD2 3.48Å; E255-D258 PolarHBondContact N-OD2 3.44Å; E255-D258 WeakPolarHBondContact O-CB 3.48Å; E255-D258 PolarHBondContact O-N 2.78Å; D258-V275 HydrophobicContact CB-CG2 3.79Å; D258-V275 WeakPolarHBondContact OD1-CG2 3.46Å; D258-N276 PolarHBondContact OD1-ND2 3.49Å
259I78.9Confident64.4Low82 Ų8263.8 Ų63.842%0.42135%0.35SS..EExtended strand (participates in β ladder)trans-99.3108.4176-54.1-57.1000108.9I235 K237 I290I235-I259 HydrophobicContact CG2-CG2 3.19Å; K237-I259 HydrophobicContact CB-CD1 3.97Å; K237-I259 HydrophobicContact CD-CD1 4.22Å; K237-I259 HydrophobicContact CG-CD1 3.87Å; I259-I290 HydrophobicContact CD1-CD1 3.95Å; I259-I290 HydrophobicContact CG2-CD1 4.45Å
260V76.1Confident64.7Low0 Ų058.7 Ų58.70%033%0.329CS..EExtended strand (participates in β ladder)trans-99.7123.3-176.3-168.20000109.5A236 L252 L254 V262 V275 F282 V287A236-V260 PolarHBondContact N-O 3.31Å; A236-V260 PolarHBondContact O-N 3.28Å; L252-V260 HydrophobicContact CD2-CG1 3.99Å; L254-V260 HydrophobicContact CD2-CG2 3.46Å; L254-V260 VanDerWaalsContact CD2-CG2 3.46Å; V260-V262 PolarHBondContact O-N 3.33Å; V260-V275 HydrophobicContact CG1-CB 4.46Å; V260-V275 HydrophobicContact CG2-CB 4.21Å; V260-V275 HydrophobicContact CG2-CG2 4.2Å; V260-F282 HydrophobicContact CB-CZ 4.41Å; V260-F282 HydrophobicContact CG1-CD1 4.26Å; V260-F282 HydrophobicContact CG1-CE1 3.4Å; V260-F282 VanDerWaalsContact CG1-CE1 3.4Å; V260-F282 HydrophobicContact CG1-CZ 3.59Å; V260-V287 HydrophobicContact CG2-CG1 4.44Å
261T75Confident65.3Low48 Ų4855.5 Ų55.529%0.29431%0.307SS..EExtended strand (participates in β ladder)trans-81.6106.7169.7-55.10000108.2P233 T263 G273 E274P233-T261 HydrophobicContact CB-CG2 3.9Å; T261-T263 PolarHBondContact O-N 2.89Å; T261-G273 CarbonylContact O-C 3.59Å; T261-G273 WeakPolarHBondContact O-CA 3.46Å; T261-E274 PolarHBondContact N-O 2.91Å; T261-E274 PolarHBondContact O-N 2.86Å
262V73.9Confident65.6Low7 Ų757.6 Ų57.64%0.04231%0.314CS..EExtended strand (participates in β ladder)trans-75.9112.9-180-1670000108.8V234 A236 V260 M265 W271 E272 F282V234-V262 HydrophobicContact CB-CB 4.34Å; V234-V262 WeakPolarHBondContact O-CA 3.4Å; V234-V262 WeakPolarHBondContact O-CB 3.35Å; V234-V262 PolarHBondContact O-N 3.4Å; A236-V262 HydrophobicContact CB-CG2 3.62Å; V260-V262 PolarHBondContact O-N 3.33Å; V262-M265 HydrophobicContact CB-CE 3.92Å; V262-M265 HydrophobicContact CG1-CE 3.73Å; V262-M265 HydrophobicContact CG1-CG 3.56Å; V262-M265 HydrophobicContact CG2-CE 4.37Å; V262-W271 HydrophobicContact CG1-CB 4.27Å; V262-W271 HydrophobicContact CG1-CD2 4.39Å; V262-W271 HydrophobicContact CG1-CE3 3.95Å; V262-W271 HydrophobicContact CG2-CE3 4.19Å; V262-E272 WeakPolarHBondContact CG1-O 3.44Å; V262-F282 HydrophobicContact CG2-CZ 4.18Å
263T62.2Low65.8Low88 Ų8857.5 Ų57.554%0.5431%0.314SS..EExtended strand (participates in β ladder)trans-95.3-25.7-179.551.10000112.1T261 E272T261-T263 PolarHBondContact O-N 2.89Å; T263-E272 PolarHBondContact N-O 3.21Å; T263-E272 PolarHBondContact OG1-O 3.33Å
264R61.3Low65.9Low155 Ų15559.7 Ų59.759%0.58532%0.321SS*.EExtended strand (participates in β ladder)trans-146129.3173.9-159.8-180-66.6160.2-14.1111.1W271 E272R264-W271 CarbonylContact O-C 3.43Å; R264-W271 WeakPolarHBondContact O-CA 3.46Å; R264-E272 HydrophobicContact CB-CB 3.9Å; R264-E272 HydrophobicContact CB-CG 4.39Å; R264-E272 WeakPolarHBondContact CD-OE2 3.27Å; R264-E272 IonicContact CZ-OE2 2.8Å; R264-E272 PolarHBondContact N-O 2.95Å; R264-E272 IonicContact NE-OE2 3.78Å; R264-E272 IonicContact NH1-OE1 2.62Å; R264-E272 IonicContact NH1-OE2 2.78Å; R264-E272 PolarHBondContact NH1-OE2 3.28Å; R264-E272 PolarHBondContact O-N 3.06Å
265M59.1Low66.1Low34 Ų3459.6 Ų59.617%0.16732%0.321CS..  trans-105.9111.8173.6-65175-176.900108.6L226 M229 V234 V262 W271 I289L226-M265 HydrophobicContact CD2-SD 4.05Å; M229-M265 HydrophobicContact CE-CE 4.46Å; M229-M265 HydrophobicContact CE-SD 3.95Å; V234-M265 HydrophobicContact CB-CE 3.36Å; V234-M265 HydrophobicContact CG1-CE 3.23Å; V234-M265 HydrophobicContact CG2-CE 3.6Å; V262-M265 HydrophobicContact CB-CE 3.92Å; V262-M265 HydrophobicContact CG1-CE 3.73Å; V262-M265 HydrophobicContact CG1-CG 3.56Å; V262-M265 HydrophobicContact CG2-CE 4.37Å; M265-W271 HydrophobicContact CB-CD2 4.44Å; M265-W271 HydrophobicContact CE-CZ3 4.38Å; M265-W271 HydrophobicContact CG-CD2 4.04Å; M265-W271 HydrophobicContact CG-CE3 4.3Å; M265-W271 HydrophobicContact CG-CG 4.41Å; M265-W271 HydrophobicContact CG-CZ2 4.49Å; M265-I289 HydrophobicContact CE-CD1 4.14Å
266N47.8Very low66Low68 Ų6860.8 Ų60.836%0.36433%0.33SS..  trans-93.5134173-163.9-57.3000109.6S268 G269 Q270 W271N266-S268 PolarHBondContact O-N 3.16Å; N266-S268 WeakPolarHBondContact OD1-CB 3.25Å; N266-S268 PolarHBondContact OD1-N 3.03Å; N266-S268 PolarHBondContact OD1-OG 2.81Å; N266-G269 PolarHBondContact O-N 3.05Å; N266-G269 VanDerWaalsContact O-N 3.09Å; N266-Q270 WeakPolarHBondContact CB-O 3.34Å; N266-W271 PolarHBondContact O-NE1 3.24Å
267I42.5Very low65.6Low143 Ų14359.5 Ų59.573%0.73334%0.336SS*.THydrogen-bonded Turntrans-67.8-11.217861.1166.7000113.3G269I267-G269 PolarHBondContact O-N 2.96Å
268S44.1Very low65.6Low104 Ų10464.8 Ų64.873%0.72735%0.345SS*.THydrogen-bonded Turntrans-73-5.3170.4-48.90000113.3N266N266-S268 PolarHBondContact O-N 3.16Å; N266-S268 WeakPolarHBondContact OD1-CB 3.25Å; N266-S268 PolarHBondContact OD1-N 3.03Å; N266-S268 PolarHBondContact OD1-OG 2.81Å
269G53.8Low65.5Low14 Ų1470.2 Ų70.214%0.14437%0.367CS..SBendtrans87.57.1178.300000115.4N266 I267 P283 F284N266-G269 PolarHBondContact O-N 3.05Å; N266-G269 VanDerWaalsContact O-N 3.09Å; I267-G269 PolarHBondContact O-N 2.96Å; G269-P283 CarbonylContact O-C 3.59Å; G269-P283 VanDerWaalsContact O-CA 3.27Å; G269-P283 WeakPolarHBondContact O-CA 3.49Å; G269-F284 WeakPolarHBondContact O-CD1 3.46Å; G269-F284 PolarHBondContact O-N 2.77Å
270Q60.8Low65Low96 Ų9666.8 Ų66.845%0.44935%0.352SS..EExtended strand (participates in β ladder)trans-111.7103.6173.1-168.3173.33.800109.3N266 L281 F282N266-Q270 WeakPolarHBondContact CB-O 3.34Å; Q270-L281 HydrophobicContact CG-CB 4Å; Q270-L281 HydrophobicContact CG-CD2 3.93Å; Q270-F282 CarbonylContact C-O 3.55Å
271W72.9Confident64.7Low17 Ų1768.7 Ų68.76%0.06436%0.362CS..EExtended strand (participates in β ladder)trans-90.3150.3-178-66.85.1000110.8V262 R264 M265 N266 L281 F282 F284 V287 I289V262-W271 HydrophobicContact CG1-CB 4.27Å; V262-W271 HydrophobicContact CG1-CD2 4.39Å; V262-W271 HydrophobicContact CG1-CE3 3.95Å; V262-W271 HydrophobicContact CG2-CE3 4.19Å; R264-W271 CarbonylContact O-C 3.43Å; R264-W271 WeakPolarHBondContact O-CA 3.46Å; M265-W271 HydrophobicContact CB-CD2 4.44Å; M265-W271 HydrophobicContact CE-CZ3 4.38Å; M265-W271 HydrophobicContact CG-CD2 4.04Å; M265-W271 HydrophobicContact CG-CE3 4.3Å; M265-W271 HydrophobicContact CG-CG 4.41Å; M265-W271 HydrophobicContact CG-CZ2 4.49Å; N266-W271 PolarHBondContact O-NE1 3.24Å; W271-L281 CarbonylContact O-C 3.45Å; W271-L281 VanDerWaalsContact O-CA 3.32Å; W271-L281 WeakPolarHBondContact O-CA 2.9Å; W271-F282 WeakPolarHBondContact CA-O 3.2Å; W271-F282 HydrophobicContact CB-CD2 4.31Å; W271-F282 HydrophobicContact CB-CE2 3.74Å; W271-F282 HydrophobicContact CB-CZ 3.9Å; W271-F282 HydrophobicContact CE3-CE2 4.22Å; W271-F282 PolarHBondContact N-O 2.81Å; W271-F282 PolarHBondContact O-N 3.19Å; W271-F282 VanDerWaalsContact O-O 3.09Å; W271-F284 HydrophobicContact CD2-CB 3.6Å; W271-F284 HydrophobicContact CE3-CB 4.13Å; W271-F284 HydrophobicContact CG-CB 4.01Å; W271-F284 HydrophobicContact CH2-CB 4.06Å; W271-F284 HydrophobicContact CZ2-CB 3.58Å; W271-F284 HydrophobicContact CZ2-CD2 4.35Å; W271-F284 HydrophobicContact CZ2-CG 4.27Å; W271-F284 HydrophobicContact CZ3-CB 4.34Å; W271-V287 HydrophobicContact CE3-CG2 3.97Å; W271-V287 HydrophobicContact CZ3-CG2 3.97Å; W271-I289 HydrophobicContact CH2-CD1 3.48Å; W271-I289 VanDerWaalsContact CH2-CD1 3.48Å; W271-I289 HydrophobicContact CH2-CG1 3.73Å; W271-I289 HydrophobicContact CZ3-CD1 3.87Å; W271-I289 HydrophobicContact CZ3-CG1 3.66Å
272E71.8Confident64.4Low59 Ų5966.4 Ų66.428%0.27635%0.348SS..EExtended strand (participates in β ladder)trans-104.6138.9169.4-63.6174.278.300109V262 T263 R264 G280 L281V262-E272 WeakPolarHBondContact CG1-O 3.44Å; T263-E272 PolarHBondContact N-O 3.21Å; T263-E272 PolarHBondContact OG1-O 3.33Å; R264-E272 HydrophobicContact CB-CB 3.9Å; R264-E272 HydrophobicContact CB-CG 4.39Å; R264-E272 WeakPolarHBondContact CD-OE2 3.27Å; R264-E272 IonicContact CZ-OE2 2.8Å; R264-E272 PolarHBondContact N-O 2.95Å; R264-E272 IonicContact NE-OE2 3.78Å; R264-E272 IonicContact NH1-OE1 2.62Å; R264-E272 IonicContact NH1-OE2 2.78Å; R264-E272 PolarHBondContact NH1-OE2 3.28Å; R264-E272 PolarHBondContact O-N 3.06Å; E272-G280 WeakPolarHBondContact CA-O 3.41Å; E272-L281 HydrophobicContact CB-CD2 4.48Å; E272-L281 HydrophobicContact CG-CD2 3.19Å; E272-L281 HydrophobicContact CG-CG 3.98Å
273G76.1Confident64Low1 Ų167.4 Ų67.41%0.0136%0.355CS..EExtended strand (participates in β ladder)trans-163.7178.7174.400000111.9T261 K279 G280T261-G273 CarbonylContact O-C 3.59Å; T261-G273 WeakPolarHBondContact O-CA 3.46Å; G273-K279 WeakPolarHBondContact O-CA 3.35Å; G273-G280 PolarHBondContact N-O 3.32Å; G273-G280 VanDerWaalsContact N-O 3.08Å; G273-G280 PolarHBondContact O-N 3.1Å
274E76.4Confident64.2Low67 Ų6768 Ų6831%0.31335%0.35SS..EExtended strand (participates in β ladder)trans-120.6130.3-177-169.3177.877.300110T261 R278 K279T261-E274 PolarHBondContact N-O 2.91Å; T261-E274 PolarHBondContact O-N 2.86Å; E274-R278 CarbonylContact C-O 3.55Å; E274-R278 VanDerWaalsContact CA-O 3.26Å; E274-R278 WeakPolarHBondContact CA-O 3.39Å; E274-K279 HydrophobicContact CB-CG 3.92Å; E274-K279 HydrophobicContact CG-CG 3.77Å; E274-K279 WeakPolarHBondContact OE2-CE 3.44Å; E274-K279 WeakPolarHBondContact OE2-CG 3.37Å; E274-K279 IonicContact OE2-NZ 2.78Å
275V77.8Confident64.3Low3 Ų364.5 Ų64.52%0.01835%0.346CS..EExtended strand (participates in β ladder)trans-135.7131.7173.476.10000109.2L252 A253 L254 D258 V260 G277 R278L252-V275 HydrophobicContact CD1-CG1 3.94Å; L252-V275 HydrophobicContact CD2-CB 4.11Å; L252-V275 HydrophobicContact CD2-CG1 3.66Å; L252-V275 HydrophobicContact CG-CG1 3.75Å; A253-V275 WeakPolarHBondContact O-CG1 3.42Å; L254-V275 HydrophobicContact CD2-CG1 4.35Å; D258-V275 HydrophobicContact CB-CG2 3.79Å; D258-V275 WeakPolarHBondContact OD1-CG2 3.46Å; V260-V275 HydrophobicContact CG1-CB 4.46Å; V260-V275 HydrophobicContact CG2-CB 4.21Å; V260-V275 HydrophobicContact CG2-CG2 4.2Å; V275-G277 PolarHBondContact O-N 2.79Å; V275-G277 VanDerWaalsContact O-N 3.12Å; V275-R278 PolarHBondContact N-O 3.21Å; V275-R278 PolarHBondContact O-N 2.86Å
276N67.6Low64.4Low129 Ų12964.5 Ų64.569%0.6935%0.345SS*.THydrogen-bonded Turntrans49.638.5-179.6-68.8-73.3000113.8D258 R278D258-N276 PolarHBondContact OD1-ND2 3.49Å; N276-R278 VanDerWaalsContact C-N 3.27Å; N276-R278 PolarHBondContact O-N 3.1Å
277G62.8Low65.5Low65 Ų6561.8 Ų61.867%0.6733%0.331SS*.THydrogen-bonded Turntrans75.84.6-179.600000115.7V275V275-G277 PolarHBondContact O-N 2.79Å; V275-G277 VanDerWaalsContact O-N 3.12Å
278R62.5Low66.7Low145 Ų14560.2 Ų60.255%0.54732%0.319SS..EExtended strand (participates in β ladder)trans-104.9131.3174.1-64.8-174.9-66.5175.5-1.3109.5L252 E274 V275 N276L252-R278 HydrophobicContact CD1-CB 4.02Å; L252-R278 WeakPolarHBondContact CD1-O 2.96Å; E274-R278 CarbonylContact C-O 3.55Å; E274-R278 VanDerWaalsContact CA-O 3.26Å; E274-R278 WeakPolarHBondContact CA-O 3.39Å; V275-R278 PolarHBondContact N-O 3.21Å; V275-R278 PolarHBondContact O-N 2.86Å; N276-R278 VanDerWaalsContact C-N 3.27Å; N276-R278 PolarHBondContact O-N 3.1Å
279K71.8Confident68Low149 Ų14957.7 Ų57.765%0.64830%0.297SS*.EExtended strand (participates in β ladder)trans-101.8143.8175.1-63.6-174.5-178-175.90110.4G273 E274G273-K279 WeakPolarHBondContact O-CA 3.35Å; E274-K279 HydrophobicContact CB-CG 3.92Å; E274-K279 HydrophobicContact CG-CG 3.77Å; E274-K279 WeakPolarHBondContact OE2-CE 3.44Å; E274-K279 WeakPolarHBondContact OE2-CG 3.37Å; E274-K279 IonicContact OE2-NZ 2.78Å
280G68.3Low68.7Low10 Ų1059.9 Ų59.910%0.10331%0.305CS..EExtended strand (participates in β ladder)trans177.5-179.8176.100000113.2T250 E272 G273T250-G280 CarbonylContact O-C 3.59Å; T250-G280 WeakPolarHBondContact O-CA 3.31Å; E272-G280 WeakPolarHBondContact CA-O 3.41Å; G273-G280 PolarHBondContact N-O 3.32Å; G273-G280 VanDerWaalsContact N-O 3.08Å; G273-G280 PolarHBondContact O-N 3.1Å
281L69.9Low68.6Low41 Ų4160.2 Ų60.222%0.21531%0.309CS..EExtended strand (participates in β ladder)trans-91.5133.1-177.1-67.9157000110.8R242 T250 A251 L252 Q270 W271 E272R242-L281 PolarHBondContact NH1-O 2.85Å; T250-L281 PolarHBondContact O-N 3.46Å; A251-L281 WeakPolarHBondContact CA-O 3.47Å; L252-L281 PolarHBondContact N-O 3.19Å; Q270-L281 HydrophobicContact CG-CB 4Å; Q270-L281 HydrophobicContact CG-CD2 3.93Å; W271-L281 CarbonylContact O-C 3.45Å; W271-L281 VanDerWaalsContact O-CA 3.32Å; W271-L281 WeakPolarHBondContact O-CA 2.9Å; E272-L281 HydrophobicContact CB-CD2 4.48Å; E272-L281 HydrophobicContact CG-CD2 3.19Å; E272-L281 HydrophobicContact CG-CG 3.98Å
282F69.2Low67.6Low0 Ų064.3 Ų64.30%034%0.338CS..EExtended strand (participates in β ladder)trans-140.4144.4171.560.6-89000112.9L252 L254 V260 V262 Q270 W271 V287L252-F282 HydrophobicContact CB-CB 4.48Å; L252-F282 HydrophobicContact CB-CD1 4.13Å; L252-F282 HydrophobicContact CD2-CD1 3.66Å; L252-F282 HydrophobicContact CD2-CE1 4Å; L254-F282 HydrophobicContact CD1-CB 3.61Å; L254-F282 HydrophobicContact CD1-CD2 4.09Å; L254-F282 HydrophobicContact CD1-CG 3.86Å; L254-F282 HydrophobicContact CG-CB 4.32Å; V260-F282 HydrophobicContact CB-CZ 4.41Å; V260-F282 HydrophobicContact CG1-CD1 4.26Å; V260-F282 HydrophobicContact CG1-CE1 3.4Å; V260-F282 VanDerWaalsContact CG1-CE1 3.4Å; V260-F282 HydrophobicContact CG1-CZ 3.59Å; V262-F282 HydrophobicContact CG2-CZ 4.18Å; Q270-F282 CarbonylContact C-O 3.55Å; W271-F282 WeakPolarHBondContact CA-O 3.2Å; W271-F282 HydrophobicContact CB-CD2 4.31Å; W271-F282 HydrophobicContact CB-CE2 3.74Å; W271-F282 HydrophobicContact CB-CZ 3.9Å; W271-F282 HydrophobicContact CE3-CE2 4.22Å; W271-F282 PolarHBondContact N-O 2.81Å; W271-F282 PolarHBondContact O-N 3.19Å; W271-F282 VanDerWaalsContact O-O 3.09Å; F282-V287 HydrophobicContact CD2-CG1 3.67Å; F282-V287 HydrophobicContact CD2-CG2 4.11Å; F282-V287 HydrophobicContact CE2-CB 4.26Å; F282-V287 HydrophobicContact CE2-CG1 3.64Å; F282-V287 HydrophobicContact CE2-CG2 3.57Å
283P66.6Low66.5Low28 Ų2869.5 Ų69.518%0.18236%0.362CS..EExtended strand (participates in β ladder)trans-65.3137.5175.426.3-35.4000111.7G269 T285 H286G269-P283 CarbonylContact O-C 3.59Å; G269-P283 VanDerWaalsContact O-CA 3.27Å; G269-P283 WeakPolarHBondContact O-CA 3.49Å; P283-T285 PolarHBondContact O-N 2.77Å; P283-H286 HydrophobicContact CG-CB 4.28Å; P283-H286 VanDerWaalsContact CG-CE1 3.43Å; P283-H286 WeakPolarHBondContact CG-CE1 3.49Å; P283-H286 WeakPolarHBondContact CG-ND1 3.32Å; P283-H286 PolarHBondContact O-N 2.98Å; P283-H286 VanDerWaalsContact O-N 3.14Å
284F65.9Low65Low100 Ų10074.1 Ų74.144%0.43939%0.387SS..G310 helixtrans-61.9-27-179.984.5-77.1000113G269 W271 H286 V287G269-F284 WeakPolarHBondContact O-CD1 3.46Å; G269-F284 PolarHBondContact O-N 2.77Å; W271-F284 HydrophobicContact CD2-CB 3.6Å; W271-F284 HydrophobicContact CE3-CB 4.13Å; W271-F284 HydrophobicContact CG-CB 4.01Å; W271-F284 HydrophobicContact CH2-CB 4.06Å; W271-F284 HydrophobicContact CZ2-CB 3.58Å; W271-F284 HydrophobicContact CZ2-CD2 4.35Å; W271-F284 HydrophobicContact CZ2-CG 4.27Å; W271-F284 HydrophobicContact CZ3-CB 4.34Å; F284-H286 PolarHBondContact O-N 2.97Å; F284-H286 VanDerWaalsContact O-N 3.12Å; F284-V287 PolarHBondContact O-N 3.39Å; F284-V287 VanDerWaalsContact O-N 3.16Å
285T61.8Low63.5Low81 Ų8176.5 Ų76.550%0.49741%0.408SS..G310 helixtrans-63.5-16.8178.555.30000113.6P283P283-T285 PolarHBondContact O-N 2.77Å
286H62.8Low62Low35 Ų3582.8 Ų82.816%0.16244%0.442CS..G310 helixtrans-96.6-1.1-178.7-65.756000112.8A238 I239 Q240 L254 P283 F284A238-H286 CarbonylContact C-O 3.48Å; A238-H286 WeakPolarHBondContact CA-O 3.25Å; I239-H286 WeakPolarHBondContact CG1-O 3.49Å; I239-H286 PolarHBondContact N-O 3.11Å; Q240-H286 HydrophobicContact CB-CB 3.94Å; Q240-H286 PolarHBondContact N-O 2.73Å; Q240-H286 PolarHBondContact OE1-CD2 3.41Å; Q240-H286 PolarHBondContact OE1-CE1 3.31Å; Q240-H286 PolarHBondContact OE1-ND1 3.32Å; Q240-H286 PolarHBondContact OE1-NE2 3.15Å; L254-H286 HydrophobicContact CD1-CB 4.34Å; P283-H286 HydrophobicContact CG-CB 4.28Å; P283-H286 VanDerWaalsContact CG-CE1 3.43Å; P283-H286 WeakPolarHBondContact CG-CE1 3.49Å; P283-H286 WeakPolarHBondContact CG-ND1 3.32Å; P283-H286 PolarHBondContact O-N 2.98Å; P283-H286 VanDerWaalsContact O-N 3.14Å; F284-H286 PolarHBondContact O-N 2.97Å; F284-H286 VanDerWaalsContact O-N 3.12Å
287V70.5Confident60.8Low11 Ų1184.1 Ų84.17%0.06744%0.444CS..EExtended strand (participates in β ladder)trans-132.6151.9-179.8-56.20000111.5A236 K237 A238 L254 V260 W271 F282 F284A236-V287 HydrophobicContact CB-CB 3.95Å; A236-V287 HydrophobicContact CB-CG2 3.93Å; K237-V287 CarbonylContact O-C 3.53Å; K237-V287 VanDerWaalsContact O-CA 3.32Å; K237-V287 WeakPolarHBondContact O-CA 3.48Å; A238-V287 HydrophobicContact CB-CG1 4.34Å; L254-V287 HydrophobicContact CD1-CG1 3.9Å; V260-V287 HydrophobicContact CG2-CG1 4.44Å; W271-V287 HydrophobicContact CE3-CG2 3.97Å; W271-V287 HydrophobicContact CZ3-CG2 3.97Å; F282-V287 HydrophobicContact CD2-CG1 3.67Å; F282-V287 HydrophobicContact CD2-CG2 4.11Å; F282-V287 HydrophobicContact CE2-CB 4.26Å; F282-V287 HydrophobicContact CE2-CG1 3.64Å; F282-V287 HydrophobicContact CE2-CG2 3.57Å; F284-V287 PolarHBondContact O-N 3.39Å; F284-V287 VanDerWaalsContact O-N 3.16Å
288K68.5Low59.7Low110 Ų11086.4 Ų86.448%0.47845%0.449SS..EExtended strand (participates in β ladder)trans-115.1123.3172-170.8176.8-176.8-174.60108.2A236 K237 I239 I290 E297A236-K288 CarbonylContact C-O 3.46Å; A236-K288 VanDerWaalsContact CA-O 3.26Å; A236-K288 WeakPolarHBondContact CA-O 2.96Å; K237-K288 PolarHBondContact N-O 2.76Å; K237-K288 PolarHBondContact O-N 3.41Å; I239-K288 HydrophobicContact CG2-CB 3.85Å; K288-I290 PolarHBondContact O-N 3.26Å; K288-E297 PolarHBondContact NZ-O 3.41Å
289I70Confident58.2Low51 Ų5190.8 Ų90.826%0.26248%0.484SS..EExtended strand (participates in β ladder)trans-60.5130.2175.3-64.2174.6000108.2V234 M265 W271V234-I289 HydrophobicContact CG1-CG1 4.44Å; V234-I289 HydrophobicContact CG1-CG2 3.76Å; M265-I289 HydrophobicContact CE-CD1 4.14Å; W271-I289 HydrophobicContact CH2-CD1 3.48Å; W271-I289 VanDerWaalsContact CH2-CD1 3.48Å; W271-I289 HydrophobicContact CH2-CG1 3.73Å; W271-I289 HydrophobicContact CZ3-CD1 3.87Å; W271-I289 HydrophobicContact CZ3-CG1 3.66Å
290I69.3Low57.6Low60 Ų6087.9 Ų87.931%0.30848%0.476SS..EExtended strand (participates in β ladder)trans-113.8126.3173.356.8168000108.4I235 K237 I259 K288I235-I290 HydrophobicContact CB-CG1 4.12Å; I235-I290 HydrophobicContact CG2-CD1 3.87Å; I235-I290 HydrophobicContact CG2-CG1 3.83Å; I235-I290 PolarHBondContact O-N 2.77Å; I235-I290 VanDerWaalsContact O-O 3.06Å; K237-I290 HydrophobicContact CB-CD1 4.41Å; K237-I290 HydrophobicContact CB-CG2 3.99Å; I259-I290 HydrophobicContact CD1-CD1 3.95Å; I259-I290 HydrophobicContact CG2-CD1 4.45Å; K288-I290 PolarHBondContact O-N 3.26Å
291N57.9Low57Low102 Ų10292 Ų9255%0.54550%0.495SS..  trans-85.7123.1174.4-154.139.7000107.7Q293 N294N291-Q293 PolarHBondContact O-N 2.93Å; N291-N294 PolarHBondContact O-N 2.95Å; N291-N294 VanDerWaalsContact O-N 3.17Å
292P52.9Low56.3Low103 Ų10394.8 Ų94.867%0.66951%0.511SS*.THydrogen-bonded Turntrans-64.7-5.7-177.224.1-32.4000113.8
293Q47.6Very low55.5Low169 Ų169100.4 Ų100.479%0.7954%0.541SS*.THydrogen-bonded Turntrans-98.6-4.6178.1-68.5-171.42.700115.2N291N291-Q293 PolarHBondContact O-N 2.93Å
294N45.8Very low54.8Low98 Ų98104.9 Ų104.952%0.52456%0.563SS.*  trans-140.296.6177.8-15565000111.8N291 D296N291-N294 PolarHBondContact O-N 2.95Å; N291-N294 VanDerWaalsContact O-N 3.17Å; N294-D296 VanDerWaalsContact C-N 3.27Å; N294-D296 PolarHBondContact O-N 3.12Å
295P43.9Very low54.1Low116 Ų116105.3 Ų105.375%0.75357%0.572SS**  trans-77-2.5-178.329-32.1000115.2
296D45.6Very low53.6Low136 Ų136107 Ų10773%0.72758%0.577SS**  trans-115.258.5-168.3-85.4-93.6000114.2N294N294-D296 VanDerWaalsContact C-N 3.27Å; N294-D296 PolarHBondContact O-N 3.12Å
297E44.2Very low52.8Low157 Ų157112.5 Ų112.573%0.73461%0.609SS**  trans-134.564.7159.6-113.9-173.885.700110.2K288K288-E297 PolarHBondContact NZ-O 3.41Å
298S38.7Very low51.4Low113 Ų113121 Ų12179%0.7965%0.654SS**  trans-117.7107.1162.5-62.90000108.3
299D32.1Very low49.8Very low237 Ų237122 Ų122100%1.26767%0.67SS**  trans-140.60140.3-160.7-113.8000107.6

Retrieved 299 of 299 residues in 120.8 ms (Link to these results)

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