A0A087Y3A2_POEFO Loading...

receptor protein-tyrosine kinase

AlphaFold DB , UniProt , Accession A0A087Y3A2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 934 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
1A81.2Confident89.5Confident75 Ų7569 Ų6962%0.6239%0.388SS*.  0148.2000000108.4I79A1-I79 WeakPolarHBondContact CA-O 3.36Å; A1-I79 VanDerWaalsContact CB-O 3.22Å; A1-I79 WeakPolarHBondContact CB-O 3.31Å
2P89.8Confident89.6Confident10 Ų1069.5 Ų69.57%0.06539%0.389CS..  trans-63145.3176.225.8-31.9000111.1V25 A31 A75 N77 A83P2-V25 HydrophobicContact CB-CG1 4.13Å; P2-A31 HydrophobicContact CB-CB 3.92Å; P2-A75 HydrophobicContact CB-CB 3.94Å; P2-A75 HydrophobicContact CG-CB 4.36Å; P2-A75 WeakPolarHBondContact CG-O 2.95Å; P2-N77 WeakPolarHBondContact CD-OD1 3.21Å; P2-A83 HydrophobicContact CB-CB 4.49Å; P2-A83 HydrophobicContact CG-CB 4.41Å; P2-A83 WeakPolarHBondContact O-CB 3.48Å
3H90.4Very high89.7Confident117 Ų11765 Ų6554%0.54236%0.364SS..EExtended strand (participates in β ladder)trans-128.5123.6176.8-178.4-84.3000109.3E26H3-E26 PolarHBondContact N-O 3.25Å; H3-E26 PolarHBondContact O-N 3.41Å
4I91.6Very high89.5Confident23 Ų2362.7 Ų62.712%0.11835%0.351CS..EExtended strand (participates in β ladder)trans-81.7121.3175.7-66.9169.4000108T6 E24 V25 A83I4-T6 WeakPolarHBondContact CG2-O 3.21Å; I4-E24 WeakPolarHBondContact CA-O 3.33Å; I4-V25 HydrophobicContact CG1-CG2 4.21Å; I4-A83 HydrophobicContact CD1-CB 3.87Å; I4-A83 HydrophobicContact CG1-CB 3.78Å
5I90.5Very high88.9Confident96 Ų9665.1 Ų65.149%0.49236%0.362SS..SBendtrans-76.9-44.5-176.8-54173.5000110.1E24 E26I5-E24 HydrophobicContact CB-CB 4.13Å; I5-E24 HydrophobicContact CD1-CB 4.31Å; I5-E24 PolarHBondContact N-O 3.37Å; I5-E26 HydrophobicContact CD1-CB 4.12Å; I5-E26 HydrophobicContact CG1-CB 4.18Å
6T84.8Confident88.5Confident46 Ų4666.9 Ų66.928%0.28237%0.371SS..SBendtrans-111120.7-175.956.30000110.9I4 L8 E24I4-T6 WeakPolarHBondContact CG2-O 3.21Å; T6-L8 PolarHBondContact O-N 3.07Å; T6-E24 HydrophobicContact CG2-CB 4.26Å; T6-E24 HydrophobicContact CG2-CG 4.26Å; T6-E24 WeakPolarHBondContact CG2-OE2 3.45Å; T6-E24 PolarHBondContact OG1-N 3.39Å
7V88.9Confident88.5Confident117 Ų11769.8 Ų69.871%0.70938%0.381SS*.PPolyproline II helixtrans-68.8132.8172-176.60000108.9E9 S85V7-E9 PolarHBondContact O-N 3.4Å; V7-S85 WeakPolarHBondContact CA-OG 3.47Å
8L92.1Very high88.8Confident11 Ų1170.9 Ų70.96%0.05839%0.386CS..PPolyproline II helixtrans-67.9121.4176.9-78.6163.2000110.5T6 F21 I22 W35 C73 S85T6-L8 PolarHBondContact O-N 3.07Å; L8-F21 HydrophobicContact CD2-CB 3.89Å; L8-F21 HydrophobicContact CD2-CD1 3.92Å; L8-F21 HydrophobicContact CD2-CG 4.39Å; L8-I22 VanDerWaalsContact CD2-O 3.26Å; L8-I22 WeakPolarHBondContact CD2-O 3.25Å; L8-W35 HydrophobicContact CD1-CH2 3.74Å; L8-W35 HydrophobicContact CD1-CZ3 3.6Å; L8-W35 HydrophobicContact CD2-CH2 3.84Å; L8-W35 HydrophobicContact CD2-CZ3 4.23Å; L8-W35 HydrophobicContact CG-CH2 4.44Å; L8-C73 HydrophobicContact CD1-CB 3.64Å; L8-S85 WeakPolarHBondContact CD1-O 3.45Å; L8-S85 PolarHBondContact N-OG 3.13Å
9E91.3Very high89Confident159 Ų15967.2 Ų67.274%0.74337%0.366SS*.PPolyproline II helixtrans-90.7170.8175.3-65.1-172.1172.600111.9V7 V11 G87V7-E9 PolarHBondContact O-N 3.4Å; E9-V11 PolarHBondContact O-N 3.12Å; E9-G87 WeakPolarHBondContact O-CA 3.4Å
10T91.1Very high89.3Confident70 Ų7066.5 Ų66.543%0.42936%0.364SS..PPolyproline II helixtrans-70.1128.6172-63.30000109.9A88 Q90T10-A88 CarbonylContact C-O 3.57Å; T10-A88 VanDerWaalsContact CA-O 3.27Å; T10-A88 WeakPolarHBondContact CA-O 3.44Å; T10-A88 HydrophobicContact CG2-CB 4.25Å; T10-A88 WeakPolarHBondContact CG2-O 3.38Å; T10-Q90 HydrophobicContact CG2-CB 4.37Å; T10-Q90 HydrophobicContact CG2-CG 3.78Å
11V93.1Very high89.5Confident35 Ų3563.4 Ų63.421%0.21235%0.347CS..EExtended strand (participates in β ladder)trans-100115.5175.7177.70000108.9E9 A19 F21 A88 L89 Q90E9-V11 PolarHBondContact O-N 3.12Å; V11-A19 HydrophobicContact CG1-CB 4.23Å; V11-F21 HydrophobicContact CB-CE1 3.96Å; V11-F21 HydrophobicContact CB-CZ 4.03Å; V11-F21 HydrophobicContact CG2-CD1 3.69Å; V11-F21 HydrophobicContact CG2-CE1 3.44Å; V11-F21 VanDerWaalsContact CG2-CE1 3.44Å; V11-F21 HydrophobicContact CG2-CG 4.42Å; V11-F21 HydrophobicContact CG2-CZ 3.97Å; V11-A88 PolarHBondContact N-O 3.47Å; V11-L89 HydrophobicContact CB-CD1 4.01Å; V11-L89 HydrophobicContact CG1-CD1 3.94Å; V11-Q90 PolarHBondContact O-N 2.9Å
12D91.1Very high90Very high75 Ų7564.2 Ų64.240%0.40134%0.34SS..EExtended strand (participates in β ladder)trans-95.2117.6176.3-76.8-13.4000110Q90 K92 F170D12-Q90 WeakPolarHBondContact OD1-CB 3.43Å; D12-K92 HydrophobicContact CB-CD 4.45Å; D12-K92 HydrophobicContact CB-CG 3.81Å; D12-K92 WeakPolarHBondContact OD1-CE 3.18Å; D12-K92 IonicContact OD1-NZ 2.65Å; D12-K92 PolarHBondContact OD1-NZ 2.73Å; D12-K92 VanDerWaalsContact OD1-NZ 3.09Å; D12-K92 WeakPolarHBondContact OD2-CE 3.42Å; D12-K92 IonicContact OD2-NZ 3.43Å; D12-K92 PolarHBondContact OD2-NZ 3.1Å; D12-F170 HydrophobicContact CB-CZ 4.26Å
13V90.4Very high90.1Very high11 Ų1163.7 Ų63.77%0.06734%0.337CS..EExtended strand (participates in β ladder)trans-135.4146.4-172.8720000112.2Q17 A19 V63 L89 Q90 L91 K92V13-Q17 HydrophobicContact CG2-CB 3.82Å; V13-A19 HydrophobicContact CB-CB 4.4Å; V13-A19 HydrophobicContact CG1-CB 4.27Å; V13-A19 HydrophobicContact CG2-CB 4.34Å; V13-V63 HydrophobicContact CG1-CB 4.12Å; V13-V63 HydrophobicContact CG1-CG1 3.78Å; V13-V63 HydrophobicContact CG1-CG2 4.06Å; V13-V63 HydrophobicContact CG2-CG2 4.39Å; V13-L89 HydrophobicContact CG1-CD1 3.79Å; V13-L89 HydrophobicContact CG1-CG 4.38Å; V13-Q90 PolarHBondContact N-O 3.15Å; V13-L91 CarbonylContact O-C 3.58Å; V13-L91 WeakPolarHBondContact O-CA 3.39Å; V13-K92 PolarHBondContact O-N 3.18Å
14L86.2Confident90.2Very high33 Ų3362.2 Ų62.217%0.17333%0.33CS..EExtended strand (participates in β ladder)trans-82.4154.5172.4-63.3174.3000111Q17 K92 K94 F170L14-Q17 HydrophobicContact CB-CG 3.95Å; L14-Q17 WeakPolarHBondContact O-CB 3.35Å; L14-Q17 PolarHBondContact O-N 3.4Å; L14-K92 HydrophobicContact CD2-CB 4.05Å; L14-K92 WeakPolarHBondContact CD2-O 3.39Å; L14-K94 HydrophobicContact CD1-CD 4.11Å; L14-K94 HydrophobicContact CD1-CG 3.78Å; L14-K94 HydrophobicContact CD2-CG 4.03Å; L14-F170 HydrophobicContact CD1-CD1 4.31Å; L14-F170 HydrophobicContact CD2-CB 4.19Å; L14-F170 HydrophobicContact CD2-CD1 4.02Å; L14-F170 HydrophobicContact CD2-CG 4.16Å; L14-F170 HydrophobicContact CG-CD1 4.08Å
15L81.6Confident90.2Very high99 Ų9962.1 Ų62.152%0.51833%0.331SS..THydrogen-bonded Turntrans-55.5143.7173.9-162.8126.2000111.4Q17 L91L15-Q17 PolarHBondContact O-N 3.19Å; L15-Q17 VanDerWaalsContact O-N 3.09Å; L15-L91 HydrophobicContact CB-CD1 4.24Å; L15-L91 HydrophobicContact CD1-CD2 4.02Å
16D82.1Confident90.2Very high94 Ų9463.9 Ų63.950%0.50334%0.337SS..THydrogen-bonded Turntrans62.31.9-175.4-79.7-24.8000116.4H62 V63D16-H62 PolarHBondContact O-ND1 3.38Å; D16-V63 PolarHBondContact N-O 3.1Å
17Q89.3Confident90.5Very high115 Ų11563.3 Ų63.354%0.53734%0.335SS..SBendtrans-87.9164.8168.2-61.8-63.8-39.800111V13 L14 L15 V63V13-Q17 HydrophobicContact CG2-CB 3.82Å; L14-Q17 HydrophobicContact CB-CG 3.95Å; L14-Q17 WeakPolarHBondContact O-CB 3.35Å; L14-Q17 PolarHBondContact O-N 3.4Å; L15-Q17 PolarHBondContact O-N 3.19Å; L15-Q17 VanDerWaalsContact O-N 3.09Å; Q17-V63 WeakPolarHBondContact O-CB 3.34Å; Q17-V63 VanDerWaalsContact O-CG2 3.25Å; Q17-V63 WeakPolarHBondContact O-CG2 3.31Å; Q17-V63 PolarHBondContact O-N 3.1Å
18N92.8Very high90.4Very high90 Ų9062.8 Ų62.848%0.48134%0.336SS..PPolyproline II helixtrans-88.9133.6179.1-61.8-9.6000110.3I60 P61 H62N18-I60 WeakPolarHBondContact CA-O 3.45Å; N18-P61 VanDerWaalsContact OD1-CA 3.26Å; N18-P61 WeakPolarHBondContact OD1-CA 3.28Å; N18-H62 PolarHBondContact OD1-N 3.36Å; N18-H62 VanDerWaalsContact OD1-N 3.14Å
19A93.8Very high90.3Very high1 Ų166 Ų661%0.00836%0.358CS..EExtended strand (participates in β ladder)trans-101.1143.2168.600000110.5V11 V13 T59 I60 V63 L89V11-A19 HydrophobicContact CG1-CB 4.23Å; V13-A19 HydrophobicContact CB-CB 4.4Å; V13-A19 HydrophobicContact CG1-CB 4.27Å; V13-A19 HydrophobicContact CG2-CB 4.34Å; A19-T59 CarbonylContact O-C 3.59Å; A19-T59 VanDerWaalsContact O-CA 3.3Å; A19-T59 WeakPolarHBondContact O-CA 3.32Å; A19-I60 HydrophobicContact CB-CB 4.48Å; A19-I60 PolarHBondContact N-O 2.82Å; A19-I60 PolarHBondContact O-N 3.44Å; A19-V63 HydrophobicContact CB-CG2 3.63Å; A19-L89 HydrophobicContact CB-CD1 3.42Å; A19-L89 VanDerWaalsContact CB-CD1 3.42Å; A19-L89 HydrophobicContact CB-CD2 4.28Å
20T93.6Very high90.1Very high52 Ų5263.3 Ų63.332%0.31936%0.356SS..EExtended strand (participates in β ladder)trans-135.4128.7177.8-62.80000110.1I22 M57 L58 T59T20-I22 HydrophobicContact CG2-CG1 4.04Å; T20-M57 HydrophobicContact CG2-CE 3.6Å; T20-M57 HydrophobicContact CG2-CG 3.64Å; T20-M57 HydrophobicContact CG2-SD 3.98Å; T20-L58 CarbonylContact C-O 3.53Å; T20-L58 WeakPolarHBondContact CA-O 3.3Å; T20-T59 PolarHBondContact OG1-OG1 3.23Å
21F93.8Very high90Very high3 Ų360.9 Ų60.91%0.01334%0.344CS..EExtended strand (participates in β ladder)trans-106.5138.5168.3-67.4-82.2000109.4L8 V11 W35 M57 L58 I60 Y71 L89L8-F21 HydrophobicContact CD2-CB 3.89Å; L8-F21 HydrophobicContact CD2-CD1 3.92Å; L8-F21 HydrophobicContact CD2-CG 4.39Å; V11-F21 HydrophobicContact CB-CE1 3.96Å; V11-F21 HydrophobicContact CB-CZ 4.03Å; V11-F21 HydrophobicContact CG2-CD1 3.69Å; V11-F21 HydrophobicContact CG2-CE1 3.44Å; V11-F21 VanDerWaalsContact CG2-CE1 3.44Å; V11-F21 HydrophobicContact CG2-CG 4.42Å; V11-F21 HydrophobicContact CG2-CZ 3.97Å; F21-W35 HydrophobicContact CB-CH2 3.48Å; F21-W35 VanDerWaalsContact CB-CH2 3.48Å; F21-W35 HydrophobicContact CB-CZ2 4.38Å; F21-W35 HydrophobicContact CB-CZ3 3.72Å; F21-W35 HydrophobicContact CG-CH2 4.49Å; F21-W35 HydrophobicContact CG-CZ3 4.29Å; F21-M57 WeakPolarHBondContact O-CA 3.15Å; F21-L58 HydrophobicContact CB-CB 4.44Å; F21-L58 PolarHBondContact N-O 3.18Å; F21-L58 PolarHBondContact O-N 3.37Å; F21-I60 HydrophobicContact CE2-CD1 4.42Å; F21-Y71 HydrophobicContact CD2-CG 4.27Å; F21-Y71 HydrophobicContact CE2-CD1 4.41Å; F21-Y71 AromaticContact CE2-CD2 3.67Å; F21-Y71 HydrophobicContact CE2-CD2 3.67Å; F21-Y71 HydrophobicContact CE2-CE2 4.27Å; F21-Y71 AromaticContact CE2-CG 3.75Å; F21-Y71 HydrophobicContact CE2-CG 3.75Å; F21-Y71 AromaticContact CZ-CD2 3.8Å; F21-Y71 HydrophobicContact CZ-CD2 3.8Å; F21-Y71 HydrophobicContact CZ-CG 4.11Å; F21-L89 HydrophobicContact CE2-CB 4.16Å; F21-L89 HydrophobicContact CE2-CD1 4.18Å; F21-L89 HydrophobicContact CZ-CB 3.83Å; F21-L89 HydrophobicContact CZ-CD1 4.14Å
22I92.9Very high89.9Confident91 Ų9162.9 Ų62.947%0.46736%0.359SS..EExtended strand (participates in β ladder)trans-123.3122.8-179.4-56.2175.5000107.7L8 T20 E24L8-I22 VanDerWaalsContact CD2-O 3.26Å; L8-I22 WeakPolarHBondContact CD2-O 3.25Å; T20-I22 HydrophobicContact CG2-CG1 4.04Å; I22-E24 HydrophobicContact CG2-CG 4.09Å
23C91.6Very high90Very high0 Ų060.4 Ų60.40%035%0.346CS..  trans-123.196.4179.9-1790000109W35 Q56 C73C23-W35 HydrophobicContact CB-CH2 3.84Å; C23-W35 HydrophobicContact CB-CZ2 3.63Å; C23-Q56 PolarHBondContact N-O 3.4Å; C23-Q56 WeakPolarHBondContact O-CB 3.25Å; C23-Q56 WeakPolarHBondContact O-CG 3.27Å; C23-C73 HydrophobicContact CB-CB 3.5Å; C23-C73 WeakPolarHBondContact CB-SG 3.26Å; C23-C73 WeakPolarHBondContact SG-CB 3.23Å; C23-C73 CovalentContact SG-SG 2.03Å; C23-C73 PolarHBondContact SG-SG 3.11Å
24E92.1Very high90.1Very high85 Ų8562.9 Ų62.940%0.39736%0.361SS..  trans-83.4126.6178.2-62.3-177.9176.600110.2I4 I5 T6 I22I4-E24 WeakPolarHBondContact CA-O 3.33Å; I5-E24 HydrophobicContact CB-CB 4.13Å; I5-E24 HydrophobicContact CD1-CB 4.31Å; I5-E24 PolarHBondContact N-O 3.37Å; T6-E24 HydrophobicContact CG2-CB 4.26Å; T6-E24 HydrophobicContact CG2-CG 4.26Å; T6-E24 WeakPolarHBondContact CG2-OE2 3.45Å; T6-E24 PolarHBondContact OG1-N 3.39Å; I22-E24 HydrophobicContact CG2-CG 4.09Å
25V91.6Very high90.5Very high22 Ų2261.4 Ų61.413%0.13335%0.353CS..EExtended strand (participates in β ladder)trans-127.4126-173.3-177.70000110.8P2 I4 A31 I33 A75P2-V25 HydrophobicContact CB-CG1 4.13Å; I4-V25 HydrophobicContact CG1-CG2 4.21Å; V25-A31 HydrophobicContact CG1-CB 4.27Å; V25-I33 HydrophobicContact CB-CD1 4.16Å; V25-I33 HydrophobicContact CG2-CD1 3.7Å; V25-I33 HydrophobicContact CG2-CG1 4.12Å; V25-A75 HydrophobicContact CB-CB 4.47Å; V25-A75 HydrophobicContact CG1-CB 3.68Å; V25-A75 HydrophobicContact CG2-CB 3.92Å
26E91.4Very high91.2Very high132 Ų13257.3 Ų57.362%0.61733%0.332SS*.EExtended strand (participates in β ladder)trans-98.2125.7168.9-168.5174.4-169.600110H3 I5H3-E26 PolarHBondContact N-O 3.25Å; H3-E26 PolarHBondContact O-N 3.41Å; I5-E26 HydrophobicContact CD1-CB 4.12Å; I5-E26 HydrophobicContact CG1-CB 4.18Å
27S89.1Confident91.7Very high35 Ų3554.5 Ų54.525%0.24532%0.315CS..  trans-158.6141.2-178.5620000113.1P29 S30 A31S27-P29 CarbonylContact C-O 3.57Å; S27-S30 WeakPolarHBondContact OG-CA 3.47Å; S27-A31 WeakPolarHBondContact OG-CB 3.09Å; S27-A31 PolarHBondContact OG-N 2.67Å
28S88.1Confident91.8Very high106 Ų10653.3 Ų53.374%0.74131%0.313SS*.SBendtrans-137.4119.2169.7-1770000109.6N77S28-N77 PolarHBondContact O-ND2 3.29Å
29P88.6Confident91.7Very high79 Ų7954.1 Ų54.151%0.51332%0.317SS..SBendcis-59.2164.6-11.1-19.232.7000112.9S27 A31 N77 I79S27-P29 CarbonylContact C-O 3.57Å; P29-A31 PolarHBondContact O-N 2.93Å; P29-N77 WeakPolarHBondContact O-CB 3.42Å; P29-N77 PolarHBondContact O-ND2 2.65Å; P29-I79 HydrophobicContact CG-CD1 4.5Å
30S87.8Confident91.6Very high101 Ų10161 Ų6171%0.70635%0.349SS*.PPolyproline II helixtrans-53.7131.3-178.7-54.60000112.6S27S27-S30 WeakPolarHBondContact OG-CA 3.47Å
31A89.4Confident91.5Very high20 Ų2063.1 Ų63.117%0.16536%0.364CS..PPolyproline II helixtrans-83.6144.2-179.900000112.4P2 V25 S27 P29 A75 S76 N77P2-A31 HydrophobicContact CB-CB 3.92Å; V25-A31 HydrophobicContact CG1-CB 4.27Å; S27-A31 WeakPolarHBondContact OG-CB 3.09Å; S27-A31 PolarHBondContact OG-N 2.67Å; P29-A31 PolarHBondContact O-N 2.93Å; A31-A75 HydrophobicContact CB-CB 4.29Å; A31-S76 CarbonylContact C-O 3.54Å; A31-S76 WeakPolarHBondContact CA-O 3.44Å; A31-N77 HydrophobicContact CB-CB 4.03Å
32S90.9Very high91.4Very high77 Ų7763.4 Ų63.454%0.53837%0.365SS..EExtended strand (participates in β ladder)trans-79.3132164.860.10000109.8A75 S76S32-A75 WeakPolarHBondContact O-CA 3.5Å; S32-S76 PolarHBondContact N-O 2.99Å; S32-S76 PolarHBondContact O-N 2.99Å; S32-S76 PolarHBondContact OG-O 3.26Å; S32-S76 VanDerWaalsContact OG-O 3.09Å
33I93.1Very high91Very high23 Ų2364 Ų6412%0.11837%0.368CS..EExtended strand (participates in β ladder)trans-106.3130.2179.1-60.4171.4000109.8V25 G55 Q56 C73 I74 A75V25-I33 HydrophobicContact CB-CD1 4.16Å; V25-I33 HydrophobicContact CG2-CD1 3.7Å; V25-I33 HydrophobicContact CG2-CG1 4.12Å; I33-G55 WeakPolarHBondContact CG2-O 3.49Å; I33-Q56 HydrophobicContact CD1-CB 4.22Å; I33-Q56 HydrophobicContact CD1-CG 3.23Å; I33-C73 VanDerWaalsContact CG2-SG 3.58Å; I33-I74 WeakPolarHBondContact CA-O 3.24Å; I33-A75 HydrophobicContact CG1-CB 4.46Å
34T93.1Very high90.3Very high63 Ų6368.5 Ų68.539%0.38739%0.385SS..EExtended strand (participates in β ladder)trans-129.5152.3175.755.70000110.3Y44 I74T34-Y44 WeakPolarHBondContact CA-OH 3.34Å; T34-I74 PolarHBondContact N-O 2.03Å; T34-I74 PolarHBondContact O-N 3.43Å; T34-I74 PolarHBondContact OG1-O 2.79Å
35W94.9Very high89.6Confident2 Ų272.1 Ų72.11%0.00840%0.4CS..EExtended strand (participates in β ladder)trans-117.4140.3-179-70.785.1000110.5L8 F21 C23 I42 Y44 G55 L58 C72 C73L8-W35 HydrophobicContact CD1-CH2 3.74Å; L8-W35 HydrophobicContact CD1-CZ3 3.6Å; L8-W35 HydrophobicContact CD2-CH2 3.84Å; L8-W35 HydrophobicContact CD2-CZ3 4.23Å; L8-W35 HydrophobicContact CG-CH2 4.44Å; F21-W35 HydrophobicContact CB-CH2 3.48Å; F21-W35 VanDerWaalsContact CB-CH2 3.48Å; F21-W35 HydrophobicContact CB-CZ2 4.38Å; F21-W35 HydrophobicContact CB-CZ3 3.72Å; F21-W35 HydrophobicContact CG-CH2 4.49Å; F21-W35 HydrophobicContact CG-CZ3 4.29Å; C23-W35 HydrophobicContact CB-CH2 3.84Å; C23-W35 HydrophobicContact CB-CZ2 3.63Å; W35-I42 HydrophobicContact CB-CB 4.49Å; W35-I42 HydrophobicContact CB-CD1 3.84Å; W35-I42 HydrophobicContact CB-CG1 4.37Å; W35-I42 PolarHBondContact O-N 3.47Å; W35-Y44 PolarHBondContact N-OH 2.89Å; W35-G55 PolarHBondContact NE1-O 3.5Å; W35-L58 HydrophobicContact CB-CD2 4.15Å; W35-L58 HydrophobicContact CD2-CB 3.86Å; W35-L58 HydrophobicContact CD2-CD2 3.72Å; W35-L58 HydrophobicContact CD2-CG 4.37Å; W35-L58 HydrophobicContact CE3-CB 4.28Å; W35-L58 HydrophobicContact CE3-CD2 3.69Å; W35-L58 HydrophobicContact CG-CB 4.29Å; W35-L58 HydrophobicContact CG-CD2 3.94Å; W35-L58 HydrophobicContact CH2-CB 4.32Å; W35-L58 HydrophobicContact CZ2-CB 3.91Å; W35-L58 HydrophobicContact CZ3-CB 4.49Å; W35-L58 HydrophobicContact CZ3-CD2 4.34Å; W35-C72 CarbonylContact C-O 3.44Å; W35-C72 VanDerWaalsContact CA-O 3.31Å; W35-C72 WeakPolarHBondContact CA-O 3.26Å; W35-C73 HydrophobicContact CD2-CB 4.31Å; W35-C73 HydrophobicContact CE3-CB 4.14Å; W35-C73 HydrophobicContact CH2-CB 3.84Å; W35-C73 HydrophobicContact CZ2-CB 4Å; W35-C73 HydrophobicContact CZ3-CB 3.91Å
36T94.9Very high89Confident13 Ų1373.6 Ų73.68%0.0841%0.407CS..EExtended strand (participates in β ladder)trans-120.3149.1170.6680000110.1Q40 Y71 C72 I74T36-Q40 CarbonylContact C-O 3.53Å; T36-Q40 WeakPolarHBondContact CA-O 3.09Å; T36-Q40 VanDerWaalsContact CB-O 3.25Å; T36-Q40 WeakPolarHBondContact CB-O 3.2Å; T36-Y71 CarbonylContact O-C 3.43Å; T36-Y71 VanDerWaalsContact O-CA 3.29Å; T36-Y71 WeakPolarHBondContact O-CA 3.44Å; T36-C72 PolarHBondContact N-O 3.25Å; T36-C72 PolarHBondContact O-N 2.76Å; T36-C72 WeakPolarHBondContact OG1-CB 3.47Å; T36-I74 HydrophobicContact CG2-CD1 3.71Å
37K94.1Very high88.5Confident34 Ų3474.1 Ų74.115%0.14841%0.414CS..EExtended strand (participates in β ladder)trans-117123.3168.8-179.8-174.8-179.4-1790108.2N39 Q40 I42 S66 D67 E70 Y71K37-N39 PolarHBondContact O-N 3.42Å; K37-Q40 PolarHBondContact N-O 3.26Å; K37-Q40 PolarHBondContact O-N 3.15Å; K37-I42 HydrophobicContact CB-CD1 4.27Å; K37-I42 HydrophobicContact CB-CG1 4.06Å; K37-S66 PolarHBondContact NZ-O 3.28Å; K37-D67 IonicContact NZ-OD1 3.31Å; K37-E70 CarbonylContact C-O 3.51Å; K37-E70 WeakPolarHBondContact CA-O 3.27Å; K37-Y71 HydrophobicContact CB-CD1 4.27Å; K37-Y71 HydrophobicContact CB-CE1 3.95Å; K37-Y71 HydrophobicContact CD-CE1 4.05Å; K37-Y71 WeakPolarHBondContact CD-OH 2.99Å; K37-Y71 WeakPolarHBondContact CE-OH 3.48Å; K37-Y71 HydrophobicContact CG-CE1 3.94Å; K37-Y71 HydrophobicContact CG-CE2 4.33Å
38N91.1Very high88.2Confident91 Ų9176 Ų7649%0.48742%0.416SS..THydrogen-bonded Turntrans49.445.2-177.2-59-27.4000112Q40 G69 E70N38-Q40 PolarHBondContact O-N 2.57Å; N38-Q40 VanDerWaalsContact O-N 3.14Å; N38-G69 WeakPolarHBondContact OD1-CA 3.23Å; N38-E70 PolarHBondContact N-O 3.38Å; N38-E70 PolarHBondContact OD1-N 3.27Å
39N90.4Very high88.4Confident107 Ų10772 Ų7257%0.57239%0.385SS*.THydrogen-bonded Turntrans62.38.6-175.4-61.5-53.4000116.4K37 K84K37-N39 PolarHBondContact O-N 3.42Å; N39-K84 PolarHBondContact OD1-NZ 3.17Å
40Q92.1Very high88.5Confident145 Ų14572.2 Ų72.268%0.67838%0.381SS*.EExtended strand (participates in β ladder)trans-99.8136.8170.9-64.2-171.9-13.200110.7T36 K37 N38 I42T36-Q40 CarbonylContact C-O 3.53Å; T36-Q40 WeakPolarHBondContact CA-O 3.09Å; T36-Q40 VanDerWaalsContact CB-O 3.25Å; T36-Q40 WeakPolarHBondContact CB-O 3.2Å; K37-Q40 PolarHBondContact N-O 3.26Å; K37-Q40 PolarHBondContact O-N 3.15Å; N38-Q40 PolarHBondContact O-N 2.57Å; N38-Q40 VanDerWaalsContact O-N 3.14Å; Q40-I42 PolarHBondContact O-N 3.39Å
41P90.8Very high88.6Confident96 Ų9670.2 Ų70.262%0.62337%0.365SS*.EExtended strand (participates in β ladder)trans-61.7134178.825.6-32.8000111M43P41-M43 PolarHBondContact O-N 2.85Å
42I91.2Very high88.6Confident10 Ų1075 Ų755%0.05138%0.382CS..PPolyproline II helixtrans-72.4128.4173.9-66.3-177.4000108.5W35 K37 Q40 Y44 Y49 L58 Y71W35-I42 HydrophobicContact CB-CB 4.49Å; W35-I42 HydrophobicContact CB-CD1 3.84Å; W35-I42 HydrophobicContact CB-CG1 4.37Å; W35-I42 PolarHBondContact O-N 3.47Å; K37-I42 HydrophobicContact CB-CD1 4.27Å; K37-I42 HydrophobicContact CB-CG1 4.06Å; Q40-I42 PolarHBondContact O-N 3.39Å; I42-Y44 HydrophobicContact CG2-CD1 4.47Å; I42-Y44 HydrophobicContact CG2-CE1 4.39Å; I42-Y44 PolarHBondContact O-N 2.97Å; I42-Y49 HydrophobicContact CD1-CD1 4.02Å; I42-Y49 HydrophobicContact CD1-CE1 4.1Å; I42-Y49 HydrophobicContact CD1-CG 4.48Å; I42-Y49 HydrophobicContact CG2-CD1 4.02Å; I42-Y49 HydrophobicContact CG2-CD2 3.42Å; I42-Y49 VanDerWaalsContact CG2-CD2 3.42Å; I42-Y49 HydrophobicContact CG2-CE2 3.97Å; I42-Y49 HydrophobicContact CG2-CG 3.43Å; I42-Y49 VanDerWaalsContact CG2-CG 3.43Å; I42-L58 HydrophobicContact CD1-CD2 3.77Å; I42-Y71 HydrophobicContact CD1-CD1 3.86Å; I42-Y71 HydrophobicContact CD1-CE1 3.87Å
43M84.4Confident88.5Confident104 Ų10478 Ų7851%0.51239%0.387SS..  trans-87.3104.5177-65.5-53-11500110P41 F45 D46P41-M43 PolarHBondContact O-N 2.85Å; M43-F45 HydrophobicContact CB-CD1 4.08Å; M43-F45 HydrophobicContact CB-CD2 4.3Å; M43-F45 HydrophobicContact CB-CE1 3.56Å; M43-F45 HydrophobicContact CB-CE2 3.77Å; M43-F45 HydrophobicContact CB-CG 4.45Å; M43-F45 HydrophobicContact CB-CZ 3.4Å; M43-F45 HydrophobicContact CE-CE1 3.56Å; M43-F45 HydrophobicContact CE-CZ 3.69Å; M43-F45 HydrophobicContact CG-CE1 3.9Å; M43-F45 HydrophobicContact CG-CE2 4.38Å; M43-F45 HydrophobicContact CG-CZ 3.64Å; M43-F45 PolarHBondContact O-N 2.9Å; M43-F45 HydrophobicContact SD-CE1 3.93Å; M43-F45 HydrophobicContact SD-CZ 4.18Å; M43-D46 WeakPolarHBondContact O-CB 3.45Å; M43-D46 PolarHBondContact O-N 2.99Å
44Y77.5Confident88.2Confident94 Ų9485.3 Ų85.337%0.36942%0.421SS..THydrogen-bonded Turntrans-67.5-4.6-174.4-59.7-70.9000115.7T34 W35 I42 D46 T51T34-Y44 WeakPolarHBondContact CA-OH 3.34Å; W35-Y44 PolarHBondContact N-OH 2.89Å; I42-Y44 HydrophobicContact CG2-CD1 4.47Å; I42-Y44 HydrophobicContact CG2-CE1 4.39Å; I42-Y44 PolarHBondContact O-N 2.97Å; Y44-D46 VanDerWaalsContact C-N 3.3Å; Y44-T51 HydrophobicContact CD1-CG2 3.86Å; Y44-T51 HydrophobicContact CE1-CG2 3.49Å; Y44-T51 VanDerWaalsContact CE1-CG2 3.49Å
45F77.2Confident87.8Confident160 Ų16082.8 Ų82.870%0.70241%0.407SS*.THydrogen-bonded Turntrans-80.9-11.316854.3-104.1000112.8M43 N47M43-F45 HydrophobicContact CB-CD1 4.08Å; M43-F45 HydrophobicContact CB-CD2 4.3Å; M43-F45 HydrophobicContact CB-CE1 3.56Å; M43-F45 HydrophobicContact CB-CE2 3.77Å; M43-F45 HydrophobicContact CB-CG 4.45Å; M43-F45 HydrophobicContact CB-CZ 3.4Å; M43-F45 HydrophobicContact CE-CE1 3.56Å; M43-F45 HydrophobicContact CE-CZ 3.69Å; M43-F45 HydrophobicContact CG-CE1 3.9Å; M43-F45 HydrophobicContact CG-CE2 4.38Å; M43-F45 HydrophobicContact CG-CZ 3.64Å; M43-F45 PolarHBondContact O-N 2.9Å; M43-F45 HydrophobicContact SD-CE1 3.93Å; M43-F45 HydrophobicContact SD-CZ 4.18Å; F45-N47 PolarHBondContact O-N 3.12Å
46D78.4Confident87.6Confident54 Ų5485.4 Ų85.429%0.28942%0.42SS..SBendtrans-74.9108166-175.6-6.7000108.3M43 Y44 R48 Y49M43-D46 WeakPolarHBondContact O-CB 3.45Å; M43-D46 PolarHBondContact O-N 2.99Å; Y44-D46 VanDerWaalsContact C-N 3.3Å; D46-R48 PolarHBondContact O-N 3.31Å; D46-R48 VanDerWaalsContact OD1-CB 3.27Å; D46-R48 WeakPolarHBondContact OD1-CB 3.11Å; D46-R48 WeakPolarHBondContact OD1-CG 3.21Å; D46-R48 PolarHBondContact OD1-N 2.93Å; D46-R48 IonicContact OD2-NE 3.79Å; D46-Y49 HydrophobicContact CB-CD2 4.05Å; D46-Y49 HydrophobicContact CB-CE2 4.4Å; D46-Y49 PolarHBondContact O-N 3.39Å
47N80.6Confident87.5Confident142 Ų14287 Ų8776%0.75943%0.427SS*.THydrogen-bonded Turntrans-57.6-6.8178.1-73.9-2.4000113.7F45F45-N47 PolarHBondContact O-N 3.12Å
48R84.6Confident87.4Confident75 Ų7585.4 Ų85.428%0.28342%0.42SS..THydrogen-bonded Turntrans-74.4-18.1171.5-67.3-151.9-63.91501115D46 P61 D67D46-R48 PolarHBondContact O-N 3.31Å; D46-R48 VanDerWaalsContact OD1-CB 3.27Å; D46-R48 WeakPolarHBondContact OD1-CB 3.11Å; D46-R48 WeakPolarHBondContact OD1-CG 3.21Å; D46-R48 PolarHBondContact OD1-N 2.93Å; D46-R48 IonicContact OD2-NE 3.79Å; R48-P61 VanDerWaalsContact O-CD 3.32Å; R48-P61 WeakPolarHBondContact O-CD 2.96Å; R48-D67 IonicContact CZ-OD1 3.43Å; R48-D67 VanDerWaalsContact CZ-OD1 3.31Å; R48-D67 IonicContact NH1-OD1 3.02Å; R48-D67 PolarHBondContact NH1-OD1 3.31Å; R48-D67 IonicContact NH1-OD2 3.64Å; R48-D67 PolarHBondContact NH1-OD2 2.91Å; R48-D67 IonicContact NH2-OD1 2.62Å; R48-D67 PolarHBondContact NH2-OD1 3.38Å
49Y90.8Very high87.6Confident23 Ų2381.8 Ų81.89%0.0940%0.401CS..  trans-113.1104179.5-59.3-74.1000110I42 D46 L58 I60 Y71I42-Y49 HydrophobicContact CD1-CD1 4.02Å; I42-Y49 HydrophobicContact CD1-CE1 4.1Å; I42-Y49 HydrophobicContact CD1-CG 4.48Å; I42-Y49 HydrophobicContact CG2-CD1 4.02Å; I42-Y49 HydrophobicContact CG2-CD2 3.42Å; I42-Y49 VanDerWaalsContact CG2-CD2 3.42Å; I42-Y49 HydrophobicContact CG2-CE2 3.97Å; I42-Y49 HydrophobicContact CG2-CG 3.43Å; I42-Y49 VanDerWaalsContact CG2-CG 3.43Å; D46-Y49 HydrophobicContact CB-CD2 4.05Å; D46-Y49 HydrophobicContact CB-CE2 4.4Å; D46-Y49 PolarHBondContact O-N 3.39Å; Y49-L58 HydrophobicContact CD1-CD1 4.25Å; Y49-I60 HydrophobicContact CD1-CD1 4.47Å; Y49-I60 HydrophobicContact CD1-CG1 3.99Å; Y49-I60 HydrophobicContact CE1-CD1 4.28Å; Y49-I60 HydrophobicContact CE1-CG1 4.21Å; Y49-Y71 AromaticContact CE1-CE1 3.97Å; Y49-Y71 HydrophobicContact CE1-CE1 3.97Å
50L91.1Very high87.8Confident82 Ų8276.7 Ų76.743%0.42937%0.374SS..EExtended strand (participates in β ladder)trans-97.6120.6-179-58179.2000109.6T59 P61L50-T59 PolarHBondContact N-O 2.05Å; L50-T59 PolarHBondContact O-N 3.16Å; L50-P61 HydrophobicContact CD1-CG 4.05Å; L50-P61 HydrophobicContact CG-CG 4.49Å
51T90.2Very high87.7Confident60 Ų6071.4 Ų71.437%0.36835%0.352SS..EExtended strand (participates in β ladder)trans-102.6144.8173.955.20000112.2Y44 M57 L58Y44-T51 HydrophobicContact CD1-CG2 3.86Å; Y44-T51 HydrophobicContact CE1-CG2 3.49Å; Y44-T51 VanDerWaalsContact CE1-CG2 3.49Å; T51-M57 CarbonylContact C-O 3.57Å; T51-M57 WeakPolarHBondContact CA-O 3.48Å; T51-L58 HydrophobicContact CG2-CD1 4.1Å
52K88.5Confident87.7Confident121 Ų12172.2 Ų72.253%0.52635%0.347SS..EExtended strand (participates in β ladder)trans-134.8169.3174.4-65.5-176.3179.8179.90110.2Q54 G55 Q56 M57K52-Q54 PolarHBondContact O-N 3.26Å; K52-G55 PolarHBondContact O-N 3.26Å; K52-Q56 PolarHBondContact O-N 3.46Å; K52-M57 HydrophobicContact CB-CB 4.23Å; K52-M57 HydrophobicContact CD-CE 4.28Å; K52-M57 PolarHBondContact N-O 2.74Å; K52-M57 PolarHBondContact O-N 3.06Å
53E89.6Confident87.6Confident139 Ų13971.8 Ų71.865%0.6535%0.345SS*.G310 helixtrans53.852.2175.5-56.9-5715200113.6G55 Q56E53-G55 PolarHBondContact O-N 3.37Å; E53-G55 VanDerWaalsContact O-N 3.16Å; E53-Q56 HydrophobicContact CB-CB 4.16Å; E53-Q56 WeakPolarHBondContact O-CB 3.35Å; E53-Q56 WeakPolarHBondContact O-CG 3.23Å; E53-Q56 PolarHBondContact O-N 2.83Å; E53-Q56 VanDerWaalsContact O-N 3.12Å; E53-Q56 PolarHBondContact O-NE2 2.83Å
54Q85.9Confident87.6Confident177 Ų17772.3 Ų72.383%0.82734%0.344SS*.G310 helixtrans56.829.2-177.8-57.4176.8-3.700113.9K52K52-Q54 PolarHBondContact O-N 3.26Å
55G85.6Confident87.9Confident10 Ų1075.2 Ų75.210%0.10336%0.361CS..G310 helixtrans94.6-2.5178.600000114.4I33 W35 K52 E53 M57I33-G55 WeakPolarHBondContact CG2-O 3.49Å; W35-G55 PolarHBondContact NE1-O 3.5Å; K52-G55 PolarHBondContact O-N 3.26Å; E53-G55 PolarHBondContact O-N 3.37Å; E53-G55 VanDerWaalsContact O-N 3.16Å; G55-M57 VanDerWaalsContact C-N 3.27Å; G55-M57 PolarHBondContact O-N 2.88Å
56Q90.9Very high88.3Confident57 Ų5771.2 Ų71.227%0.26635%0.353SS..THydrogen-bonded Turntrans-67.1-26.1178.1-70.7-178.684.200113.2C23 I33 K52 E53C23-Q56 PolarHBondContact N-O 3.4Å; C23-Q56 WeakPolarHBondContact O-CB 3.25Å; C23-Q56 WeakPolarHBondContact O-CG 3.27Å; I33-Q56 HydrophobicContact CD1-CB 4.22Å; I33-Q56 HydrophobicContact CD1-CG 3.23Å; K52-Q56 PolarHBondContact O-N 3.46Å; E53-Q56 HydrophobicContact CB-CB 4.16Å; E53-Q56 WeakPolarHBondContact O-CB 3.35Å; E53-Q56 WeakPolarHBondContact O-CG 3.23Å; E53-Q56 PolarHBondContact O-N 2.83Å; E53-Q56 VanDerWaalsContact O-N 3.12Å; E53-Q56 PolarHBondContact O-NE2 2.83Å
57M91.9Very high88.8Confident47 Ų4768.7 Ų68.723%0.23234%0.34CS..EExtended strand (participates in β ladder)trans-115.5128.6178.6-179.7174.6150.800110.5T20 F21 T51 K52 G55 T59T20-M57 HydrophobicContact CG2-CE 3.6Å; T20-M57 HydrophobicContact CG2-CG 3.64Å; T20-M57 HydrophobicContact CG2-SD 3.98Å; F21-M57 WeakPolarHBondContact O-CA 3.15Å; T51-M57 CarbonylContact C-O 3.57Å; T51-M57 WeakPolarHBondContact CA-O 3.48Å; K52-M57 HydrophobicContact CB-CB 4.23Å; K52-M57 HydrophobicContact CD-CE 4.28Å; K52-M57 PolarHBondContact N-O 2.74Å; K52-M57 PolarHBondContact O-N 3.06Å; G55-M57 VanDerWaalsContact C-N 3.27Å; G55-M57 PolarHBondContact O-N 2.88Å; M57-T59 WeakPolarHBondContact CE-OG1 3.06Å
58L93.5Very high89.3Confident0 Ų064 Ų640%032%0.318CS..EExtended strand (participates in β ladder)trans-114.5117.1172.7175.267.2000109.5T20 F21 W35 I42 Y49 T51 Y71T20-L58 CarbonylContact C-O 3.53Å; T20-L58 WeakPolarHBondContact CA-O 3.3Å; F21-L58 HydrophobicContact CB-CB 4.44Å; F21-L58 PolarHBondContact N-O 3.18Å; F21-L58 PolarHBondContact O-N 3.37Å; W35-L58 HydrophobicContact CB-CD2 4.15Å; W35-L58 HydrophobicContact CD2-CB 3.86Å; W35-L58 HydrophobicContact CD2-CD2 3.72Å; W35-L58 HydrophobicContact CD2-CG 4.37Å; W35-L58 HydrophobicContact CE3-CB 4.28Å; W35-L58 HydrophobicContact CE3-CD2 3.69Å; W35-L58 HydrophobicContact CG-CB 4.29Å; W35-L58 HydrophobicContact CG-CD2 3.94Å; W35-L58 HydrophobicContact CH2-CB 4.32Å; W35-L58 HydrophobicContact CZ2-CB 3.91Å; W35-L58 HydrophobicContact CZ3-CB 4.49Å; W35-L58 HydrophobicContact CZ3-CD2 4.34Å; I42-L58 HydrophobicContact CD1-CD2 3.77Å; Y49-L58 HydrophobicContact CD1-CD1 4.25Å; T51-L58 HydrophobicContact CG2-CD1 4.1Å; L58-Y71 HydrophobicContact CD2-CD1 3.77Å; L58-Y71 HydrophobicContact CD2-CE1 4.28Å
59T94.3Very high89.6Confident14 Ų1461.3 Ų61.39%0.08631%0.314CS..EExtended strand (participates in β ladder)trans-111.7132.4175.8-60.40000110.9A19 T20 L50 M57A19-T59 CarbonylContact O-C 3.59Å; A19-T59 VanDerWaalsContact O-CA 3.3Å; A19-T59 WeakPolarHBondContact O-CA 3.32Å; T20-T59 PolarHBondContact OG1-OG1 3.23Å; L50-T59 PolarHBondContact N-O 2.05Å; L50-T59 PolarHBondContact O-N 3.16Å; M57-T59 WeakPolarHBondContact CE-OG1 3.06Å
60I94.5Very high89.9Confident1 Ų164.2 Ų64.21%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-112.5101.7174-54.4164.5000106.7N18 A19 F21 Y49 V63 D67 Y71 L89N18-I60 WeakPolarHBondContact CA-O 3.45Å; A19-I60 HydrophobicContact CB-CB 4.48Å; A19-I60 PolarHBondContact N-O 2.82Å; A19-I60 PolarHBondContact O-N 3.44Å; F21-I60 HydrophobicContact CE2-CD1 4.42Å; Y49-I60 HydrophobicContact CD1-CD1 4.47Å; Y49-I60 HydrophobicContact CD1-CG1 3.99Å; Y49-I60 HydrophobicContact CE1-CD1 4.28Å; Y49-I60 HydrophobicContact CE1-CG1 4.21Å; I60-V63 HydrophobicContact CB-CG2 4.31Å; I60-V63 HydrophobicContact CG2-CG2 4.1Å; I60-V63 WeakPolarHBondContact O-CG2 3.45Å; I60-D67 HydrophobicContact CG2-CB 4.36Å; I60-Y71 HydrophobicContact CD1-CD1 4.47Å; I60-Y71 HydrophobicContact CD1-CE1 3.7Å; I60-Y71 HydrophobicContact CD1-CE2 4.22Å; I60-Y71 WeakPolarHBondContact CD1-OH 3.4Å; I60-L89 HydrophobicContact CD1-CD2 3.92Å
61P91.3Very high90.1Very high34 Ų3460.3 Ų60.322%0.22131%0.308CS..SBendtrans-76.5146.8178.531.3-32.3000111.2N18 R48 L50N18-P61 VanDerWaalsContact OD1-CA 3.26Å; N18-P61 WeakPolarHBondContact OD1-CA 3.28Å; R48-P61 VanDerWaalsContact O-CD 3.32Å; R48-P61 WeakPolarHBondContact O-CD 2.96Å; L50-P61 HydrophobicContact CD1-CG 4.05Å; L50-P61 HydrophobicContact CG-CG 4.49Å
62H88.8Confident90.3Very high113 Ų11357.5 Ų57.552%0.52329%0.29SS..SBendtrans49.261.7177.8-55.7-64.8000113.1D16 N18 K64D16-H62 PolarHBondContact O-ND1 3.38Å; N18-H62 PolarHBondContact OD1-N 3.36Å; N18-H62 VanDerWaalsContact OD1-N 3.14Å; H62-K64 PolarHBondContact O-N 2.81Å
63V89.3Confident90.6Very high1 Ų151.7 Ų51.71%0.00627%0.265CS..  trans-54.8130.8-174172.60000111.3V13 D16 Q17 A19 I60 D67 L89 L91V13-V63 HydrophobicContact CG1-CB 4.12Å; V13-V63 HydrophobicContact CG1-CG1 3.78Å; V13-V63 HydrophobicContact CG1-CG2 4.06Å; V13-V63 HydrophobicContact CG2-CG2 4.39Å; D16-V63 PolarHBondContact N-O 3.1Å; Q17-V63 WeakPolarHBondContact O-CB 3.34Å; Q17-V63 VanDerWaalsContact O-CG2 3.25Å; Q17-V63 WeakPolarHBondContact O-CG2 3.31Å; Q17-V63 PolarHBondContact O-N 3.1Å; A19-V63 HydrophobicContact CB-CG2 3.63Å; I60-V63 HydrophobicContact CB-CG2 4.31Å; I60-V63 HydrophobicContact CG2-CG2 4.1Å; I60-V63 WeakPolarHBondContact O-CG2 3.45Å; V63-D67 HydrophobicContact CG1-CB 4.17Å; V63-L89 HydrophobicContact CG1-CD2 4.06Å; V63-L89 HydrophobicContact CG2-CD2 4.48Å; V63-L91 HydrophobicContact CG1-CD1 4.02Å
64K86.3Confident90.8Very high114 Ų11447.1 Ų47.150%0.49624%0.244SC..  trans-107.2165.8175.2-58.5-178.3-177.2179.60110.7H62 S66 D67H62-K64 PolarHBondContact O-N 2.81Å; K64-S66 VanDerWaalsContact C-N 3.25Å; K64-S66 PolarHBondContact O-N 3.41Å; K64-D67 PolarHBondContact N-OD2 2.92Å; K64-D67 WeakPolarHBondContact O-CB 3.47Å; K64-D67 PolarHBondContact O-N 3.39Å
65E82.9Confident91.2Very high155 Ų15538.7 Ų38.772%0.72421%0.205SC*.G310 helixtrans-56.4-40.1178.2-171.8172.1-163.100112.8D67 S68 L91E65-D67 PolarHBondContact O-N 2.95Å; E65-D67 VanDerWaalsContact O-N 3.13Å; E65-S68 WeakPolarHBondContact O-CB 3.25Å; E65-S68 PolarHBondContact O-N 3.12Å; E65-S68 PolarHBondContact O-OG 2.83Å; E65-L91 HydrophobicContact CB-CD2 4.4Å
66S85.9Confident91.6Very high77 Ų7740.4 Ų40.454%0.53822%0.216SC..G310 helixtrans-66.3-11.2177.861.50000114.2K37 K64 S68K37-S66 PolarHBondContact NZ-O 3.28Å; K64-S66 VanDerWaalsContact C-N 3.25Å; K64-S66 PolarHBondContact O-N 3.41Å; S66-S68 VanDerWaalsContact C-N 3.34Å
67D89.6Confident91.6Very high1 Ų139 Ų391%0.00521%0.21CC..G310 helixtrans-82.7-14.2178.2-62.7-38.1000113.1K37 R48 I60 V63 K64 E65 Y71 L89K37-D67 IonicContact NZ-OD1 3.31Å; R48-D67 IonicContact CZ-OD1 3.43Å; R48-D67 VanDerWaalsContact CZ-OD1 3.31Å; R48-D67 IonicContact NH1-OD1 3.02Å; R48-D67 PolarHBondContact NH1-OD1 3.31Å; R48-D67 IonicContact NH1-OD2 3.64Å; R48-D67 PolarHBondContact NH1-OD2 2.91Å; R48-D67 IonicContact NH2-OD1 2.62Å; R48-D67 PolarHBondContact NH2-OD1 3.38Å; I60-D67 HydrophobicContact CG2-CB 4.36Å; V63-D67 HydrophobicContact CG1-CB 4.17Å; K64-D67 PolarHBondContact N-OD2 2.92Å; K64-D67 WeakPolarHBondContact O-CB 3.47Å; K64-D67 PolarHBondContact O-N 3.39Å; E65-D67 PolarHBondContact O-N 2.95Å; E65-D67 VanDerWaalsContact O-N 3.13Å; D67-Y71 VanDerWaalsContact O-CE2 3.27Å; D67-Y71 WeakPolarHBondContact O-CE2 3.18Å; D67-Y71 PolarHBondContact O-OH 3.27Å; D67-L89 HydrophobicContact CB-CD2 4.05Å; D67-L89 WeakPolarHBondContact O-CD2 3.19Å
68S90.4Very high91.4Very high44 Ų4440.2 Ų40.231%0.30824%0.235SC..  trans-57.4139.9173.2-490000111E65 S66E65-S68 WeakPolarHBondContact O-CB 3.25Å; E65-S68 PolarHBondContact O-N 3.12Å; E65-S68 PolarHBondContact O-OG 2.83Å; S66-S68 VanDerWaalsContact C-N 3.34Å
69G91Very high90.9Very high18 Ų1844.6 Ų44.619%0.18626%0.257CS..EExtended strand (participates in β ladder)trans154.3177.2-17800000112.9N38 Y71 A88 L89N38-G69 WeakPolarHBondContact OD1-CA 3.23Å; G69-Y71 WeakPolarHBondContact O-CD2 3.43Å; G69-A88 WeakPolarHBondContact O-CA 3.45Å; G69-L89 PolarHBondContact N-O 3.23Å; G69-L89 PolarHBondContact O-N 3.48Å
70E95.9Very high90.4Very high84 Ų8447 Ų4739%0.39328%0.284SS..EExtended strand (participates in β ladder)trans-86.3125.7175.1-175.1179-112.100109.9K37 N38 C86K37-E70 CarbonylContact C-O 3.51Å; K37-E70 WeakPolarHBondContact CA-O 3.27Å; N38-E70 PolarHBondContact N-O 3.38Å; N38-E70 PolarHBondContact OD1-N 3.27Å; E70-C86 HydrophobicContact CG-CB 3.93Å
71Y95.3Very high90.1Very high0 Ų055.3 Ų55.30%032%0.323CS..EExtended strand (participates in β ladder)trans-109.4120.5176.4-71.2-95.7000109.3F21 T36 K37 I42 Y49 L58 I60 D67 G69 C86 G87 L89F21-Y71 HydrophobicContact CD2-CG 4.27Å; F21-Y71 HydrophobicContact CE2-CD1 4.41Å; F21-Y71 AromaticContact CE2-CD2 3.67Å; F21-Y71 HydrophobicContact CE2-CD2 3.67Å; F21-Y71 HydrophobicContact CE2-CE2 4.27Å; F21-Y71 AromaticContact CE2-CG 3.75Å; F21-Y71 HydrophobicContact CE2-CG 3.75Å; F21-Y71 AromaticContact CZ-CD2 3.8Å; F21-Y71 HydrophobicContact CZ-CD2 3.8Å; F21-Y71 HydrophobicContact CZ-CG 4.11Å; T36-Y71 CarbonylContact O-C 3.43Å; T36-Y71 VanDerWaalsContact O-CA 3.29Å; T36-Y71 WeakPolarHBondContact O-CA 3.44Å; K37-Y71 HydrophobicContact CB-CD1 4.27Å; K37-Y71 HydrophobicContact CB-CE1 3.95Å; K37-Y71 HydrophobicContact CD-CE1 4.05Å; K37-Y71 WeakPolarHBondContact CD-OH 2.99Å; K37-Y71 WeakPolarHBondContact CE-OH 3.48Å; K37-Y71 HydrophobicContact CG-CE1 3.94Å; K37-Y71 HydrophobicContact CG-CE2 4.33Å; I42-Y71 HydrophobicContact CD1-CD1 3.86Å; I42-Y71 HydrophobicContact CD1-CE1 3.87Å; Y49-Y71 AromaticContact CE1-CE1 3.97Å; Y49-Y71 HydrophobicContact CE1-CE1 3.97Å; L58-Y71 HydrophobicContact CD2-CD1 3.77Å; L58-Y71 HydrophobicContact CD2-CE1 4.28Å; I60-Y71 HydrophobicContact CD1-CD1 4.47Å; I60-Y71 HydrophobicContact CD1-CE1 3.7Å; I60-Y71 HydrophobicContact CD1-CE2 4.22Å; I60-Y71 WeakPolarHBondContact CD1-OH 3.4Å; D67-Y71 VanDerWaalsContact O-CE2 3.27Å; D67-Y71 WeakPolarHBondContact O-CE2 3.18Å; D67-Y71 PolarHBondContact O-OH 3.27Å; G69-Y71 WeakPolarHBondContact O-CD2 3.43Å; Y71-C86 CarbonylContact O-C 3.46Å; Y71-C86 VanDerWaalsContact O-CA 3.31Å; Y71-C86 WeakPolarHBondContact O-CA 3.28Å; Y71-G87 PolarHBondContact N-O 3.31Å; Y71-G87 PolarHBondContact O-N 3.33Å; Y71-L89 HydrophobicContact CD2-CB 3.9Å; Y71-L89 HydrophobicContact CE2-CB 3.61Å; Y71-L89 HydrophobicContact CE2-CD2 4.13Å
72C94.9Very high90Very high0 Ų056.1 Ų56.10%033%0.333CS..EExtended strand (participates in β ladder)trans-114.4129.6178.3-55.80000111.5W35 T36 K84 S85 C86W35-C72 CarbonylContact C-O 3.44Å; W35-C72 VanDerWaalsContact CA-O 3.31Å; W35-C72 WeakPolarHBondContact CA-O 3.26Å; T36-C72 PolarHBondContact N-O 3.25Å; T36-C72 PolarHBondContact O-N 2.76Å; T36-C72 WeakPolarHBondContact OG1-CB 3.47Å; C72-K84 HydrophobicContact CB-CG 4.34Å; C72-K84 WeakPolarHBondContact SG-CE 3.49Å; C72-S85 CarbonylContact C-O 3.32Å; C72-S85 WeakPolarHBondContact CA-O 3.46Å; C72-C86 HydrophobicContact CB-CB 4.06Å; C72-C86 WeakPolarHBondContact CB-SG 3.03Å; C72-C86 WeakPolarHBondContact SG-CB 3.33Å; C72-C86 CovalentContact SG-SG 2.04Å; C72-C86 PolarHBondContact SG-SG 3.08Å
73C95.1Very high90.2Very high0 Ų051.7 Ų51.70%032%0.316CS..EExtended strand (participates in β ladder)trans-86.1132166174.20000109.3L8 C23 I33 W35 K84 S85L8-C73 HydrophobicContact CD1-CB 3.64Å; C23-C73 HydrophobicContact CB-CB 3.5Å; C23-C73 WeakPolarHBondContact CB-SG 3.26Å; C23-C73 WeakPolarHBondContact SG-CB 3.23Å; C23-C73 CovalentContact SG-SG 2.03Å; C23-C73 PolarHBondContact SG-SG 3.11Å; I33-C73 VanDerWaalsContact CG2-SG 3.58Å; W35-C73 HydrophobicContact CD2-CB 4.31Å; W35-C73 HydrophobicContact CE3-CB 4.14Å; W35-C73 HydrophobicContact CH2-CB 3.84Å; W35-C73 HydrophobicContact CZ2-CB 4Å; W35-C73 HydrophobicContact CZ3-CB 3.91Å; C73-K84 WeakPolarHBondContact O-CA 3.47Å; C73-S85 PolarHBondContact N-O 3.43Å; C73-S85 PolarHBondContact O-N 2.95Å
74I94.5Very high90.4Very high42 Ų4257 Ų5722%0.21534%0.339CS..EExtended strand (participates in β ladder)trans-125.6117.4178.2-54.8174.2000108.2I33 T34 T36 A82 A83 K84I33-I74 WeakPolarHBondContact CA-O 3.24Å; T34-I74 PolarHBondContact N-O 2.03Å; T34-I74 PolarHBondContact O-N 3.43Å; T34-I74 PolarHBondContact OG1-O 2.79Å; T36-I74 HydrophobicContact CG2-CD1 3.71Å; I74-A82 HydrophobicContact CG2-CB 4.05Å; I74-A83 WeakPolarHBondContact CA-O 3.43Å; I74-K84 HydrophobicContact CG1-CD 4.48Å; I74-K84 HydrophobicContact CG1-CG 4.14Å
75A94.3Very high90.9Very high0 Ų052.1 Ų52.10%032%0.319CS..EExtended strand (participates in β ladder)trans-108127.5177.800000110.7P2 V25 A31 S32 I33 A82 A83P2-A75 HydrophobicContact CB-CB 3.94Å; P2-A75 HydrophobicContact CG-CB 4.36Å; P2-A75 WeakPolarHBondContact CG-O 2.95Å; V25-A75 HydrophobicContact CB-CB 4.47Å; V25-A75 HydrophobicContact CG1-CB 3.68Å; V25-A75 HydrophobicContact CG2-CB 3.92Å; A31-A75 HydrophobicContact CB-CB 4.29Å; S32-A75 WeakPolarHBondContact O-CA 3.5Å; I33-A75 HydrophobicContact CG1-CB 4.46Å; A75-A82 CarbonylContact O-C 3.58Å; A75-A82 VanDerWaalsContact O-CA 3.26Å; A75-A82 WeakPolarHBondContact O-CA 3.14Å; A75-A82 WeakPolarHBondContact O-CB 3.16Å; A75-A83 PolarHBondContact N-O 2.97Å; A75-A83 PolarHBondContact O-N 3.16Å
76S92.9Very high91.4Very high46 Ų4646.6 Ų46.632%0.32230%0.297SS..EExtended strand (participates in β ladder)trans-138.7138.8178.2-176.10000111.1A31 S32A31-S76 CarbonylContact C-O 3.54Å; A31-S76 WeakPolarHBondContact CA-O 3.44Å; S32-S76 PolarHBondContact N-O 2.99Å; S32-S76 PolarHBondContact O-N 2.99Å; S32-S76 PolarHBondContact OG-O 3.26Å; S32-S76 VanDerWaalsContact OG-O 3.09Å
77N91.8Very high91.8Very high27 Ų2743.1 Ų43.114%0.14427%0.274CS..  trans-127.416.1174.176.2-11.1000113.1P2 S28 P29 A31 I79P2-N77 WeakPolarHBondContact CD-OD1 3.21Å; S28-N77 PolarHBondContact O-ND2 3.29Å; P29-N77 WeakPolarHBondContact O-CB 3.42Å; P29-N77 PolarHBondContact O-ND2 2.65Å; A31-N77 HydrophobicContact CB-CB 4.03Å; N77-I79 PolarHBondContact O-N 2.88Å; N77-I79 WeakPolarHBondContact OD1-CB 3.48Å; N77-I79 PolarHBondContact OD1-N 3.24Å; N77-I79 VanDerWaalsContact OD1-N 3.08Å; N77-I79 PolarHBondContact OD1-O 3.09Å
78G86.5Confident92Very high73 Ų7344.5 Ų44.575%0.75329%0.285SS*.SBendtrans74.4-0.9-177.800000115.2
79I84.9Confident92.1Very high92 Ų9242.6 Ų42.647%0.47227%0.271SS..SBendtrans-117.4108.8179-56.1178.8000109.8A1 P29 N77A1-I79 WeakPolarHBondContact CA-O 3.36Å; A1-I79 VanDerWaalsContact CB-O 3.22Å; A1-I79 WeakPolarHBondContact CB-O 3.31Å; P29-I79 HydrophobicContact CG-CD1 4.5Å; N77-I79 PolarHBondContact O-N 2.88Å; N77-I79 WeakPolarHBondContact OD1-CB 3.48Å; N77-I79 PolarHBondContact OD1-N 3.24Å; N77-I79 VanDerWaalsContact OD1-N 3.08Å; N77-I79 PolarHBondContact OD1-O 3.09Å
80G83.1Confident92.1Very high64 Ų6445.7 Ų45.766%0.6628%0.281SS*.SBendtrans79.1-167.9-178.400000113.1
81E86.9Confident91.6Very high177 Ų17743.5 Ų43.583%0.82727%0.272SS*.SBendtrans-73.2148.1177.4-65.4-174.8171.500111.5
82A90.3Very high91.2Very high51 Ų5144.5 Ų44.542%0.42128%0.276SS..PPolyproline II helixtrans-71.2135.9175.500000110.4I74 A75I74-A82 HydrophobicContact CG2-CB 4.05Å; A75-A82 CarbonylContact O-C 3.58Å; A75-A82 VanDerWaalsContact O-CA 3.26Å; A75-A82 WeakPolarHBondContact O-CA 3.14Å; A75-A82 WeakPolarHBondContact O-CB 3.16Å
83A92.8Very high90.5Very high20 Ų2048.3 Ų48.317%0.16530%0.295CS..EExtended strand (participates in β ladder)trans-79.6134.6173.800000109.7P2 I4 I74 A75P2-A83 HydrophobicContact CB-CB 4.49Å; P2-A83 HydrophobicContact CG-CB 4.41Å; P2-A83 WeakPolarHBondContact O-CB 3.48Å; I4-A83 HydrophobicContact CD1-CB 3.87Å; I4-A83 HydrophobicContact CG1-CB 3.78Å; I74-A83 WeakPolarHBondContact CA-O 3.43Å; A75-A83 PolarHBondContact N-O 2.97Å; A75-A83 PolarHBondContact O-N 3.16Å
84K94.1Very high90.1Very high112 Ų11253.7 Ų53.749%0.48732%0.318SS..EExtended strand (participates in β ladder)trans-128.6133-179.8-176.9178.6-178.4-171.20110.1N39 C72 C73 I74 C86N39-K84 PolarHBondContact OD1-NZ 3.17Å; C72-K84 HydrophobicContact CB-CG 4.34Å; C72-K84 WeakPolarHBondContact SG-CE 3.49Å; C73-K84 WeakPolarHBondContact O-CA 3.47Å; I74-K84 HydrophobicContact CG1-CD 4.48Å; I74-K84 HydrophobicContact CG1-CG 4.14Å; K84-C86 WeakPolarHBondContact CE-SG 3.37Å
85S95.4Very high89.8Confident12 Ų1252 Ų528%0.08431%0.31CS..EExtended strand (participates in β ladder)trans-134.3145.3169.3-168.80000109.2V7 L8 C72 C73V7-S85 WeakPolarHBondContact CA-OG 3.47Å; L8-S85 WeakPolarHBondContact CD1-O 3.45Å; L8-S85 PolarHBondContact N-OG 3.13Å; C72-S85 CarbonylContact C-O 3.32Å; C72-S85 WeakPolarHBondContact CA-O 3.46Å; C73-S85 PolarHBondContact N-O 3.43Å; C73-S85 PolarHBondContact O-N 2.95Å
86C94.6Very high89.4Confident39 Ų3957.3 Ų57.326%0.26434%0.335SS..EExtended strand (participates in β ladder)trans-133.8137.6-174.9-57.90000111.2E70 Y71 C72 K84E70-C86 HydrophobicContact CG-CB 3.93Å; Y71-C86 CarbonylContact O-C 3.46Å; Y71-C86 VanDerWaalsContact O-CA 3.31Å; Y71-C86 WeakPolarHBondContact O-CA 3.28Å; C72-C86 HydrophobicContact CB-CB 4.06Å; C72-C86 WeakPolarHBondContact CB-SG 3.03Å; C72-C86 WeakPolarHBondContact SG-CB 3.33Å; C72-C86 CovalentContact SG-SG 2.04Å; C72-C86 PolarHBondContact SG-SG 3.08Å; K84-C86 WeakPolarHBondContact CE-SG 3.37Å
87G94Very high88.9Confident4 Ų456.3 Ų56.34%0.04133%0.325CS..EExtended strand (participates in β ladder)trans-134147.2172.400000110.7E9 Y71E9-G87 WeakPolarHBondContact O-CA 3.4Å; Y71-G87 PolarHBondContact N-O 3.31Å; Y71-G87 PolarHBondContact O-N 3.33Å
88A93.5Very high88.3Confident29 Ų2960.7 Ų60.724%0.2434%0.343CS..EExtended strand (participates in β ladder)trans-89.1140.2179.600000111.5T10 V11 G69T10-A88 CarbonylContact C-O 3.57Å; T10-A88 VanDerWaalsContact CA-O 3.27Å; T10-A88 WeakPolarHBondContact CA-O 3.44Å; T10-A88 HydrophobicContact CG2-CB 4.25Å; T10-A88 WeakPolarHBondContact CG2-O 3.38Å; V11-A88 PolarHBondContact N-O 3.47Å; G69-A88 WeakPolarHBondContact O-CA 3.45Å
89L93.1Very high87.9Confident4 Ų462.1 Ų62.12%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-91.8118163.9-171.664.9000109.1V11 V13 A19 F21 I60 V63 D67 G69 Y71V11-L89 HydrophobicContact CB-CD1 4.01Å; V11-L89 HydrophobicContact CG1-CD1 3.94Å; V13-L89 HydrophobicContact CG1-CD1 3.79Å; V13-L89 HydrophobicContact CG1-CG 4.38Å; A19-L89 HydrophobicContact CB-CD1 3.42Å; A19-L89 VanDerWaalsContact CB-CD1 3.42Å; A19-L89 HydrophobicContact CB-CD2 4.28Å; F21-L89 HydrophobicContact CE2-CB 4.16Å; F21-L89 HydrophobicContact CE2-CD1 4.18Å; F21-L89 HydrophobicContact CZ-CB 3.83Å; F21-L89 HydrophobicContact CZ-CD1 4.14Å; I60-L89 HydrophobicContact CD1-CD2 3.92Å; V63-L89 HydrophobicContact CG1-CD2 4.06Å; V63-L89 HydrophobicContact CG2-CD2 4.48Å; D67-L89 HydrophobicContact CB-CD2 4.05Å; D67-L89 WeakPolarHBondContact O-CD2 3.19Å; G69-L89 PolarHBondContact N-O 3.23Å; G69-L89 PolarHBondContact O-N 3.48Å; Y71-L89 HydrophobicContact CD2-CB 3.9Å; Y71-L89 HydrophobicContact CE2-CB 3.61Å; Y71-L89 HydrophobicContact CE2-CD2 4.13Å
90Q89.6Confident88Confident83 Ų8360.8 Ų60.839%0.38832%0.318SS..EExtended strand (participates in β ladder)trans-115.6126.8177-65-173.71800111.5T10 V11 D12 V13T10-Q90 HydrophobicContact CG2-CB 4.37Å; T10-Q90 HydrophobicContact CG2-CG 3.78Å; V11-Q90 PolarHBondContact O-N 2.9Å; D12-Q90 WeakPolarHBondContact OD1-CB 3.43Å; V13-Q90 PolarHBondContact N-O 3.15Å
91L86.1Confident88.1Confident39 Ų3958.1 Ų58.120%0.20429%0.289CS..EExtended strand (participates in β ladder)trans-78.6124.3175.3-166.172000111V13 L15 V63 E65 N121V13-L91 CarbonylContact O-C 3.58Å; V13-L91 WeakPolarHBondContact O-CA 3.39Å; L15-L91 HydrophobicContact CB-CD1 4.24Å; L15-L91 HydrophobicContact CD1-CD2 4.02Å; V63-L91 HydrophobicContact CG1-CD1 4.02Å; E65-L91 HydrophobicContact CB-CD2 4.4Å; L91-N121 PolarHBondContact O-ND2 2.94Å
92K86.8Confident88.1Confident20 Ų2054.2 Ų54.29%0.08728%0.277CS..EExtended strand (participates in β ladder)trans-106.2163.8175-60.8-51.6-175.4-169.50111.2D12 V13 L14 N121 F170D12-K92 HydrophobicContact CB-CD 4.45Å; D12-K92 HydrophobicContact CB-CG 3.81Å; D12-K92 WeakPolarHBondContact OD1-CE 3.18Å; D12-K92 IonicContact OD1-NZ 2.65Å; D12-K92 PolarHBondContact OD1-NZ 2.73Å; D12-K92 VanDerWaalsContact OD1-NZ 3.09Å; D12-K92 WeakPolarHBondContact OD2-CE 3.42Å; D12-K92 IonicContact OD2-NZ 3.43Å; D12-K92 PolarHBondContact OD2-NZ 3.1Å; V13-K92 PolarHBondContact O-N 3.18Å; L14-K92 HydrophobicContact CD2-CB 4.05Å; L14-K92 WeakPolarHBondContact CD2-O 3.39Å; K92-N121 WeakPolarHBondContact CA-O 3.43Å; K92-N121 VanDerWaalsContact CB-O 3.31Å; K92-N121 WeakPolarHBondContact CB-O 3.39Å; K92-F170 HydrophobicContact CB-CD2 4.29Å; K92-F170 HydrophobicContact CB-CE1 4.37Å; K92-F170 HydrophobicContact CB-CE2 3.95Å; K92-F170 HydrophobicContact CB-CZ 4Å; K92-F170 HydrophobicContact CD-CE2 4.48Å; K92-F170 HydrophobicContact CG-CE2 3.84Å; K92-F170 HydrophobicContact CG-CZ 3.76Å
93M81.1Confident88.1Confident80 Ų8057.2 Ų57.239%0.39429%0.286SS..EExtended strand (participates in β ladder)trans-141.5126.4-175.2-174.3-170.7-64.200110L119 G120 N121 N168M93-L119 HydrophobicContact SD-CB 4.01Å; M93-G120 WeakPolarHBondContact O-CA 3.32Å; M93-N121 HydrophobicContact CB-CB 4.14Å; M93-N121 PolarHBondContact N-O 2.72Å; M93-N121 PolarHBondContact O-N 2.96Å; M93-N168 PolarHBondContact O-ND2 2Å
94K86.1Confident87.8Confident113 Ų11358.1 Ų58.149%0.49129%0.289SS..EExtended strand (participates in β ladder)trans-61155.6169.9-67.7-171.2175.31770110.3L14 Q96 F170L14-K94 HydrophobicContact CD1-CD 4.11Å; L14-K94 HydrophobicContact CD1-CG 3.78Å; L14-K94 HydrophobicContact CD2-CG 4.03Å; K94-Q96 PolarHBondContact O-N 2.76Å; K94-F170 VanDerWaalsContact CE-O 3.29Å; K94-F170 WeakPolarHBondContact CE-O 3.31Å; K94-F170 HydrophobicContact CG-CB 4.07Å; K94-F170 WeakPolarHBondContact CG-O 3.44Å
95P88.9Confident87.5Confident7 Ų755.2 Ų55.25%0.04528%0.281CS..EExtended strand (participates in β ladder)trans-61.1136.6177.9-20.635.8000110.1L119 P124 A166 N168 G171 A173P95-L119 CarbonylContact C-O 3.57Å; P95-L119 VanDerWaalsContact CA-O 3.26Å; P95-L119 WeakPolarHBondContact CA-O 3.25Å; P95-P124 HydrophobicContact CB-CB 3.96Å; P95-P124 HydrophobicContact CB-CG 3.78Å; P95-P124 HydrophobicContact CG-CB 4.19Å; P95-P124 HydrophobicContact CG-CG 4.14Å; P95-A166 HydrophobicContact CB-CB 3.98Å; P95-N168 WeakPolarHBondContact CD-OD1 3.41Å; P95-N168 HydrophobicContact CG-CB 4.01Å; P95-N168 WeakPolarHBondContact CG-OD1 3.41Å; P95-G171 WeakPolarHBondContact CG-O 3.34Å; P95-A173 HydrophobicContact CB-CB 4.16Å; P95-A173 WeakPolarHBondContact O-CB 2.98Å
96Q85Confident87.2Confident112 Ų11256 Ų5652%0.52328%0.284SS..EExtended strand (participates in β ladder)trans-133.5138.2172.1-63.7-173.17.600108.9K94 K98 T118 L119K94-Q96 PolarHBondContact O-N 2.76Å; Q96-K98 PolarHBondContact O-N 3.33Å; Q96-T118 CarbonylContact O-C 3.51Å; Q96-T118 WeakPolarHBondContact O-CA 3.44Å; Q96-L119 PolarHBondContact N-O 3.06Å; Q96-L119 PolarHBondContact O-N 2.92Å
97I83.1Confident86.9Confident24 Ų2456 Ų5612%0.12328%0.281CS..EExtended strand (participates in β ladder)trans-94104177-62.6170.6000108.3R99 V117 T118 A166 A173I97-R99 WeakPolarHBondContact CG2-O 3.28Å; I97-V117 CarbonylContact C-O 3.52Å; I97-V117 WeakPolarHBondContact CA-O 3.21Å; I97-T118 HydrophobicContact CG1-CG2 4.17Å; I97-A166 HydrophobicContact CG1-CB 4.36Å; I97-A173 HydrophobicContact CD1-CB 4.26Å; I97-A173 HydrophobicContact CG1-CB 4.09Å
98K78.8Confident86.7Confident120 Ų12057.6 Ų57.652%0.52229%0.291SS..EExtended strand (participates in β ladder)trans-74.6-45.1-180-174.1176.9-173.8173.30111.6Q96 V117 L119 E601Q96-K98 PolarHBondContact O-N 3.33Å; K98-V117 PolarHBondContact N-O 2.67Å; K98-L119 HydrophobicContact CB-CD1 4.4Å; K98-L119 HydrophobicContact CB-CG 4.26Å; K98-L119 HydrophobicContact CD-CD1 4.06Å; K98-L119 HydrophobicContact CD-CG 4.32Å; K98-E601 IonicContact NZ-OE1 2.79Å; K98-E601 PolarHBondContact NZ-OE1 2.03Å
99R78.9Confident86.4Confident103 Ų10362 Ų6239%0.38931%0.306SS..EExtended strand (participates in β ladder)trans-111.2116.2177.4-168.5175.6176-178.75.2110.2I97 P115 V117I97-R99 WeakPolarHBondContact CG2-O 3.28Å; R99-P115 HydrophobicContact CG-CB 4.1Å; R99-P115 HydrophobicContact CG-CG 4.38Å; R99-V117 HydrophobicContact CB-CB 3.73Å; R99-V117 HydrophobicContact CB-CG2 3.76Å; R99-V117 PolarHBondContact N-O 2.99Å; R99-V117 PolarHBondContact O-N 3.11Å
100Q86.8Confident86.1Confident64 Ų6463.4 Ų63.430%0.29932%0.317SS..  trans-82.5144.8175.9-61.9-71.8-2700110.1S175Q100-S175 VanDerWaalsContact OE1-CA 3.26Å
101P84.2Confident85.8Confident8 Ų866.6 Ų66.65%0.05233%0.329CS..  trans-71.7155.8167.430.8-32.9000111.3P115 W128 V178P101-P115 WeakPolarHBondContact CA-O 3.25Å; P101-P115 VanDerWaalsContact CB-O 3.32Å; P101-P115 WeakPolarHBondContact CB-O 3.21Å; P101-P115 WeakPolarHBondContact CD-O 3.31Å; P101-W128 HydrophobicContact CB-CH2 3.87Å; P101-W128 HydrophobicContact CB-CZ3 4.49Å; P101-W128 HydrophobicContact CG-CH2 3.88Å; P101-W128 HydrophobicContact CG-CZ3 4.31Å; P101-V178 HydrophobicContact CB-CB 4.23Å; P101-V178 HydrophobicContact CB-CG1 3.91Å; P101-V178 HydrophobicContact CB-CG2 4.34Å; P101-V178 HydrophobicContact CG-CB 4.24Å; P101-V178 HydrophobicContact CG-CG1 3.99Å
102T87.3Confident85.6Confident95 Ų9564.9 Ų64.958%0.58332%0.321SS*.  trans-130.2153.7-179.155.10000111.1V104 V178T102-V104 WeakPolarHBondContact O-CG1 3.36Å; T102-V104 PolarHBondContact O-N 3.49Å; T102-V178 WeakPolarHBondContact O-CG2 3.27Å
103N89.5Confident85.6Confident113 Ų11367.3 Ų67.360%0.60434%0.337SS*.  trans-58138.7-176.2-66.1-14.2000110.1V178 T179N103-V178 WeakPolarHBondContact OD1-CA 2.94Å; N103-V178 WeakPolarHBondContact OD1-CG2 3.4Å; N103-T179 WeakPolarHBondContact CA-O 3.25Å; N103-T179 PolarHBondContact OD1-N 3.14Å
104V86.2Confident85.8Confident39 Ų3963.6 Ų63.624%0.23632%0.319CS..EExtended strand (participates in β ladder)trans-133.6139.6-178.4-68.20000111.1T102 L106 L114 T179 I180 E181T102-V104 WeakPolarHBondContact O-CG1 3.36Å; T102-V104 PolarHBondContact O-N 3.49Å; V104-L106 HydrophobicContact CB-CD2 4.24Å; V104-L106 HydrophobicContact CB-CG 4.16Å; V104-L106 HydrophobicContact CG2-CD1 3.87Å; V104-L106 HydrophobicContact CG2-CD2 4.47Å; V104-L106 HydrophobicContact CG2-CG 4.01Å; V104-L114 HydrophobicContact CG1-CD2 4.39Å; V104-L114 HydrophobicContact CG2-CD2 3.78Å; V104-T179 PolarHBondContact N-O 2.92Å; V104-I180 HydrophobicContact CG2-CB 4.39Å; V104-I180 HydrophobicContact CG2-CG1 3.84Å; V104-I180 HydrophobicContact CG2-CG2 4.41Å; V104-I180 WeakPolarHBondContact O-CA 3.26Å; V104-E181 PolarHBondContact O-N 3.15Å
105T88.6Confident85.5Confident52 Ų5259 Ų5932%0.31930%0.3SS..EExtended strand (participates in β ladder)trans-112.6113.7172.4-51.60000108.8E181 Q183 S263T105-E181 CarbonylContact C-O 3.57Å; T105-E181 WeakPolarHBondContact CA-O 3.33Å; T105-E181 HydrophobicContact CG2-CB 4.05Å; T105-E181 PolarHBondContact OG1-OE2 2.92Å; T105-Q183 HydrophobicContact CG2-CG 3.62Å; T105-Q183 VanDerWaalsContact CG2-NE2 3.35Å; T105-S263 PolarHBondContact O-OG 3.45Å
106L88.6Confident85.2Confident28 Ų2858.7 Ų58.715%0.14730%0.298CS..EExtended strand (participates in β ladder)trans-119.2146.4-166.9-60.5174.9000111.5V104 A112 I154 I180 E181 V182 Q183V104-L106 HydrophobicContact CB-CD2 4.24Å; V104-L106 HydrophobicContact CB-CG 4.16Å; V104-L106 HydrophobicContact CG2-CD1 3.87Å; V104-L106 HydrophobicContact CG2-CD2 4.47Å; V104-L106 HydrophobicContact CG2-CG 4.01Å; L106-A112 HydrophobicContact CD1-CB 3.35Å; L106-I154 HydrophobicContact CB-CG1 4.49Å; L106-I154 HydrophobicContact CB-CG2 4.34Å; L106-I154 HydrophobicContact CD1-CD1 3.88Å; L106-I154 HydrophobicContact CD1-CG1 4.04Å; L106-I180 HydrophobicContact CD1-CG2 4.05Å; L106-E181 PolarHBondContact N-O 3.04Å; L106-V182 CarbonylContact O-C 3.51Å; L106-V182 WeakPolarHBondContact O-CA 3.38Å; L106-Q183 PolarHBondContact O-N 3.07Å
107L88.1Confident85Confident38 Ų3854.1 Ų54.120%0.19928%0.278CS..EExtended strand (participates in β ladder)trans-83144.4174.2-168.267.3000110.2S110 Q183 H262L107-S110 WeakPolarHBondContact O-CB 3.27Å; L107-S110 PolarHBondContact O-N 2.96Å; L107-S110 VanDerWaalsContact O-N 3.11Å; L107-S110 PolarHBondContact O-OG 3.1Å; L107-Q183 HydrophobicContact CD1-CB 4.41Å; L107-H262 HydrophobicContact CD1-CB 4.13Å
108V90.2Very high84.9Confident39 Ų3954 Ų5424%0.23628%0.279CS..THydrogen-bonded Turntrans-54.7147.3171.2171.70000111.5S110 I154 T156 V182 Q183 T184V108-S110 PolarHBondContact O-N 2.98Å; V108-S110 VanDerWaalsContact O-N 3.11Å; V108-I154 WeakPolarHBondContact CA-O 3.09Å; V108-T156 HydrophobicContact CG2-CG2 4.25Å; V108-V182 HydrophobicContact CG2-CG1 3.39Å; V108-Q183 PolarHBondContact N-O 3.05Å; V108-T184 HydrophobicContact CB-CG2 4.27Å; V108-T184 HydrophobicContact CG2-CG2 3.49Å; V108-T184 VanDerWaalsContact CG2-CG2 3.49Å
109E88.1Confident84.9Confident120 Ų12051.7 Ų51.756%0.56127%0.272SS*.THydrogen-bonded Turntrans64.7-4.3-171.3-59.6-58.3135.800115.7R153 I154E109-R153 WeakPolarHBondContact OE2-CD 3.48Å; E109-I154 PolarHBondContact N-O 3.23Å
110S86.3Confident85Confident35 Ų3547.8 Ų47.825%0.24526%0.263CS..  trans-71.6167.4171.575.80000111.9L107 V108 I154L107-S110 WeakPolarHBondContact O-CB 3.27Å; L107-S110 PolarHBondContact O-N 2.96Å; L107-S110 VanDerWaalsContact O-N 3.11Å; L107-S110 PolarHBondContact O-OG 3.1Å; V108-S110 PolarHBondContact O-N 2.98Å; V108-S110 VanDerWaalsContact O-N 3.11Å; S110-I154 WeakPolarHBondContact O-CG1 3.45Å; S110-I154 PolarHBondContact O-N 2.93Å
111K83.9Confident84.7Confident149 Ų14948.1 Ų48.165%0.64827%0.267SS*.  trans-97.7136.5173.2-65.6175.4-176.8174.60109.1I151 H152K111-I151 CarbonylContact C-O 3.58Å; K111-I151 WeakPolarHBondContact CA-O 3.39Å; K111-H152 VanDerWaalsContact CG-O 3.29Å; K111-H152 WeakPolarHBondContact CG-O 3.09Å
112A81.9Confident84.8Confident4 Ų450 Ų503%0.03328%0.279CS..EExtended strand (participates in β ladder)trans-111.8143.417300000111.1L106 K150 I151 I154L106-A112 HydrophobicContact CD1-CB 3.35Å; A112-K150 CarbonylContact O-C 3.56Å; A112-K150 VanDerWaalsContact O-CA 3.32Å; A112-K150 WeakPolarHBondContact O-CA 3.23Å; A112-I151 HydrophobicContact CB-CB 4.13Å; A112-I151 PolarHBondContact N-O 3.33Å; A112-I151 PolarHBondContact O-N 2.84Å; A112-I154 HydrophobicContact CB-CD1 3.67Å; A112-I154 HydrophobicContact CB-CG1 3.97Å
113V86.6Confident84.5Confident71 Ų7152.7 Ų52.743%0.4328%0.283SS..EExtended strand (participates in β ladder)trans-134.4108.5167.4-175.90000107.9L144 A148 L149 K150V113-L144 HydrophobicContact CG1-CD1 4.45Å; V113-A148 HydrophobicContact CG1-CB 4.02Å; V113-L149 CarbonylContact C-O 3.2Å; V113-L149 WeakPolarHBondContact CA-O 3.45Å; V113-K150 HydrophobicContact CG2-CG 4.17Å
114L84.8Confident84.4Confident2 Ų247.8 Ų47.81%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-91.5115.5172.1-67-179.3000109.2V104 W128 A148 L149 Y162 V178 I180V104-L114 HydrophobicContact CG1-CD2 4.39Å; V104-L114 HydrophobicContact CG2-CD2 3.78Å; L114-W128 HydrophobicContact CB-CH2 3.49Å; L114-W128 VanDerWaalsContact CB-CH2 3.49Å; L114-W128 HydrophobicContact CB-CZ2 4.01Å; L114-W128 HydrophobicContact CB-CZ3 4.03Å; L114-W128 HydrophobicContact CD1-CH2 4.16Å; L114-W128 HydrophobicContact CD1-CZ3 3.82Å; L114-W128 HydrophobicContact CG-CH2 4.49Å; L114-W128 VanDerWaalsContact O-CZ2 3.31Å; L114-W128 WeakPolarHBondContact O-CZ2 3.49Å; L114-A148 CarbonylContact O-C 3.56Å; L114-A148 WeakPolarHBondContact O-CA 3.34Å; L114-A148 VanDerWaalsContact O-CB 3.29Å; L114-A148 WeakPolarHBondContact O-CB 3.38Å; L114-L149 HydrophobicContact CB-CB 4.32Å; L114-L149 HydrophobicContact CD1-CD2 4.39Å; L114-L149 PolarHBondContact N-O 3.4Å; L114-L149 PolarHBondContact O-N 3.48Å; L114-Y162 HydrophobicContact CD1-CD1 4.13Å; L114-Y162 HydrophobicContact CD1-CD2 4.42Å; L114-Y162 HydrophobicContact CD1-CG 3.89Å; L114-V178 HydrophobicContact CD1-CG1 4.12Å; L114-I180 HydrophobicContact CD1-CD1 3.76Å; L114-I180 HydrophobicContact CD1-CG1 4.06Å; L114-I180 HydrophobicContact CD2-CG1 4.44Å; L114-I180 HydrophobicContact CG-CD1 4.26Å
115P80.6Confident84.7Confident16 Ų1651.3 Ų51.310%0.10427%0.274CS..  trans-73.8137.3-177.729.1-32.9000111.2R99 P101R99-P115 HydrophobicContact CG-CB 4.1Å; R99-P115 HydrophobicContact CG-CG 4.38Å; P101-P115 WeakPolarHBondContact CA-O 3.25Å; P101-P115 VanDerWaalsContact CB-O 3.32Å; P101-P115 WeakPolarHBondContact CB-O 3.21Å; P101-P115 WeakPolarHBondContact CD-O 3.31Å
116C81.2Confident84.9Confident0 Ų049.4 Ų49.40%026%0.263CS..  trans-147.193.7164.1178.90000109.8W128 G147 C164C116-W128 HydrophobicContact CB-CH2 4.12Å; C116-W128 HydrophobicContact CB-CZ2 3.37Å; C116-G147 CarbonylContact O-C 3.54Å; C116-G147 WeakPolarHBondContact O-CA 3.44Å; C116-C164 HydrophobicContact CB-CB 3.37Å; C116-C164 WeakPolarHBondContact CB-SG 3.12Å; C116-C164 WeakPolarHBondContact SG-CB 2.96Å; C116-C164 CovalentContact SG-SG 2Å; C116-C164 PolarHBondContact SG-SG 2.87Å
117V81.1Confident85.3Confident16 Ų1650.5 Ų50.510%0.09727%0.271CS..EExtended strand (participates in β ladder)trans-103.2126.8-168.4178.70000108.5I97 K98 R99 Y146 S600I97-V117 CarbonylContact C-O 3.52Å; I97-V117 WeakPolarHBondContact CA-O 3.21Å; K98-V117 PolarHBondContact N-O 2.67Å; R99-V117 HydrophobicContact CB-CB 3.73Å; R99-V117 HydrophobicContact CB-CG2 3.76Å; R99-V117 PolarHBondContact N-O 2.99Å; R99-V117 PolarHBondContact O-N 3.11Å; V117-Y146 HydrophobicContact CG2-CD2 4.08Å; V117-S600 WeakPolarHBondContact CG2-OG 3.39Å
118T81.5Confident85.7Confident22 Ų2248.7 Ų48.714%0.13526%0.261CS..EExtended strand (participates in β ladder)trans-114.5140.9-17060.70000110.7Q96 I97 V126 A166Q96-T118 CarbonylContact O-C 3.51Å; Q96-T118 WeakPolarHBondContact O-CA 3.44Å; I97-T118 HydrophobicContact CG1-CG2 4.17Å; T118-V126 HydrophobicContact CG2-CG2 3.69Å; T118-A166 HydrophobicContact CG2-CB 3.37Å
119L79.3Confident86Confident72 Ų7248.6 Ų48.638%0.37726%0.259SS..EExtended strand (participates in β ladder)trans-106.9150.4164.4-63.5179.9000108.1M93 P95 Q96 K98 P124M93-L119 HydrophobicContact SD-CB 4.01Å; P95-L119 CarbonylContact C-O 3.57Å; P95-L119 VanDerWaalsContact CA-O 3.26Å; P95-L119 WeakPolarHBondContact CA-O 3.25Å; Q96-L119 PolarHBondContact N-O 3.06Å; Q96-L119 PolarHBondContact O-N 2.92Å; K98-L119 HydrophobicContact CB-CD1 4.4Å; K98-L119 HydrophobicContact CB-CG 4.26Å; K98-L119 HydrophobicContact CD-CD1 4.06Å; K98-L119 HydrophobicContact CD-CG 4.32Å; L119-P124 WeakPolarHBondContact O-CG 3.01Å
120G81.3Confident86.4Confident20 Ų2045.3 Ų45.321%0.20624%0.243CC..EExtended strand (participates in β ladder)trans163.7150.4176.200000110.6M93 P122M93-G120 WeakPolarHBondContact O-CA 3.32Å; G120-P122 CarbonylContact C-O 3.5Å; G120-P122 CarbonylContact O-C 3.59Å
121N79.5Confident86.7Confident71 Ų7147.6 Ų47.638%0.3825%0.253SS..EExtended strand (participates in β ladder)trans-134.9108.7175.6-176.616.9000107.3L91 K92 M93L91-N121 PolarHBondContact O-ND2 2.94Å; K92-N121 WeakPolarHBondContact CA-O 3.43Å; K92-N121 VanDerWaalsContact CB-O 3.31Å; K92-N121 WeakPolarHBondContact CB-O 3.39Å; M93-N121 HydrophobicContact CB-CB 4.14Å; M93-N121 PolarHBondContact N-O 2.72Å; M93-N121 PolarHBondContact O-N 2.96Å
122P85.4Confident87.1Confident49 Ų4946.7 Ų46.732%0.31826%0.255SS..SBendcis-65158.14.1-22.134.9000113.9G120 N168 F170G120-P122 CarbonylContact C-O 3.5Å; G120-P122 CarbonylContact O-C 3.59Å; P122-N168 WeakPolarHBondContact O-CB 3.48Å; P122-N168 PolarHBondContact O-ND2 2.92Å; P122-F170 HydrophobicContact CG-CE2 4.43Å
123K82.5Confident87.7Confident151 Ų15153.7 Ų53.766%0.65729%0.287SS*.PPolyproline II helixtrans-51125.4179.4-177.2-177.4175.6-1740110.2D145K123-D145 WeakPolarHBondContact CE-O 3.47Å; K123-D145 PolarHBondContact NZ-O 2.77Å
124P86.9Confident88Confident9 Ų955.7 Ų55.76%0.05830%0.295CS..PPolyproline II helixtrans-69.6139.6-180-19.932.7000113P95 L119 A166 K167P95-P124 HydrophobicContact CB-CB 3.96Å; P95-P124 HydrophobicContact CB-CG 3.78Å; P95-P124 HydrophobicContact CG-CB 4.19Å; P95-P124 HydrophobicContact CG-CG 4.14Å; L119-P124 WeakPolarHBondContact O-CG 3.01Å; P124-A166 HydrophobicContact CB-CB 4.18Å; P124-K167 CarbonylContact C-O 3.49Å; P124-K167 VanDerWaalsContact CA-O 3.23Å; P124-K167 WeakPolarHBondContact CA-O 3.42Å
125D92.4Very high88.4Confident113 Ų11356.9 Ų56.960%0.60430%0.301SS*.EExtended strand (participates in β ladder)trans-78.3140.1164.1-173.624.6000109.9A166 K167D125-A166 CarbonylContact O-C 3.55Å; D125-A166 WeakPolarHBondContact O-CA 3.34Å; D125-K167 PolarHBondContact N-O 2.88Å; D125-K167 PolarHBondContact O-N 2.79Å
126V93.7Very high88.8Confident13 Ų1365.2 Ų65.28%0.07934%0.335CS..EExtended strand (participates in β ladder)trans-123.1127.8-171-178.30000111T118 G147 C164 V165 A166T118-V126 HydrophobicContact CG2-CG2 3.69Å; V126-G147 WeakPolarHBondContact CG1-O 3.22Å; V126-C164 WeakPolarHBondContact CG1-SG 3.33Å; V126-V165 WeakPolarHBondContact CA-O 3.4Å; V126-A166 HydrophobicContact CG2-CB 4.47Å
127T95.7Very high89.3Confident50 Ų5070 Ų7031%0.30736%0.36SS..EExtended strand (participates in β ladder)trans-125.3159175.754.90000110.6L134 V165T127-L134 HydrophobicContact CG2-CD1 4.34Å; T127-V165 PolarHBondContact N-O 3.29Å; T127-V165 PolarHBondContact O-N 3.37Å; T127-V165 PolarHBondContact OG1-O 3.16Å
128W97.2Very high89.8Confident1 Ų172 Ų720%0.00437%0.374CS..EExtended strand (participates in β ladder)trans-125.4141.4179-79.279.3000111.5P101 L114 C116 I135 G147 L149 Y162 R163 C164 V178P101-W128 HydrophobicContact CB-CH2 3.87Å; P101-W128 HydrophobicContact CB-CZ3 4.49Å; P101-W128 HydrophobicContact CG-CH2 3.88Å; P101-W128 HydrophobicContact CG-CZ3 4.31Å; L114-W128 HydrophobicContact CB-CH2 3.49Å; L114-W128 VanDerWaalsContact CB-CH2 3.49Å; L114-W128 HydrophobicContact CB-CZ2 4.01Å; L114-W128 HydrophobicContact CB-CZ3 4.03Å; L114-W128 HydrophobicContact CD1-CH2 4.16Å; L114-W128 HydrophobicContact CD1-CZ3 3.82Å; L114-W128 HydrophobicContact CG-CH2 4.49Å; L114-W128 VanDerWaalsContact O-CZ2 3.31Å; L114-W128 WeakPolarHBondContact O-CZ2 3.49Å; C116-W128 HydrophobicContact CB-CH2 4.12Å; C116-W128 HydrophobicContact CB-CZ2 3.37Å; W128-I135 HydrophobicContact CB-CD1 3.73Å; W128-I135 HydrophobicContact CB-CG1 4.37Å; W128-I135 WeakPolarHBondContact O-CG1 3.28Å; W128-I135 PolarHBondContact O-N 3.35Å; W128-G147 PolarHBondContact NE1-O 3.28Å; W128-L149 HydrophobicContact CB-CD1 4.21Å; W128-L149 HydrophobicContact CB-CD2 4.3Å; W128-L149 HydrophobicContact CD2-CB 3.63Å; W128-L149 HydrophobicContact CD2-CD2 4.11Å; W128-L149 HydrophobicContact CD2-CG 4.37Å; W128-L149 HydrophobicContact CE3-CB 4.22Å; W128-L149 HydrophobicContact CE3-CD2 4.12Å; W128-L149 HydrophobicContact CG-CB 3.84Å; W128-L149 HydrophobicContact CG-CD1 4.15Å; W128-L149 HydrophobicContact CG-CD2 4.21Å; W128-L149 HydrophobicContact CG-CG 4.3Å; W128-L149 HydrophobicContact CZ2-CB 3.96Å; W128-Y162 HydrophobicContact CE3-CD1 4.48Å; W128-R163 CarbonylContact C-O 3.58Å; W128-R163 WeakPolarHBondContact CA-O 3.07Å; W128-C164 HydrophobicContact CD2-CB 3.98Å; W128-C164 HydrophobicContact CE3-CB 4.19Å; W128-C164 HydrophobicContact CH2-CB 4.03Å; W128-C164 HydrophobicContact CZ2-CB 3.82Å; W128-C164 HydrophobicContact CZ3-CB 4.2Å; W128-V178 HydrophobicContact CZ3-CG1 4.48Å
129L95.6Very high90.1Very high36 Ų3678.7 Ų78.719%0.18841%0.409CS..EExtended strand (participates in β ladder)trans-106.5139.9173-52.6176.9000108.8E133 L134 Y162 R163 V165L129-E133 CarbonylContact C-O 3.58Å; L129-E133 WeakPolarHBondContact CA-O 2.9Å; L129-L134 HydrophobicContact CD2-CB 4.3Å; L129-L134 HydrophobicContact CD2-CD1 4.21Å; L129-Y162 CarbonylContact O-C 3.59Å; L129-Y162 VanDerWaalsContact O-CA 3.23Å; L129-Y162 WeakPolarHBondContact O-CA 3.44Å; L129-R163 HydrophobicContact CB-CB 4.38Å; L129-R163 PolarHBondContact N-O 2.69Å; L129-R163 PolarHBondContact O-N 3.38Å; L129-V165 HydrophobicContact CD1-CG2 3.93Å; L129-V165 HydrophobicContact CG-CG2 4.09Å
130K96.3Very high90.7Very high52 Ų5278 Ų7823%0.22640%0.402CS..EExtended strand (participates in β ladder)trans-119.1123165.1-175.4-168.1-174.9-125.20107.4D132 E133 I135 E157 A159 M161 Y162K130-D132 PolarHBondContact O-N 3.43Å; K130-E133 PolarHBondContact N-O 3.04Å; K130-E133 PolarHBondContact O-N 2.75Å; K130-I135 HydrophobicContact CB-CD1 3.87Å; K130-I135 HydrophobicContact CB-CG1 3.69Å; K130-E157 PolarHBondContact NZ-O 3.43Å; K130-A159 WeakPolarHBondContact CE-O 3.44Å; K130-A159 PolarHBondContact NZ-O 2.84Å; K130-M161 CarbonylContact C-O 3.48Å; K130-M161 VanDerWaalsContact CA-O 3.32Å; K130-M161 WeakPolarHBondContact CA-O 3.45Å; K130-Y162 HydrophobicContact CB-CD1 4.18Å; K130-Y162 HydrophobicContact CB-CE1 3.92Å; K130-Y162 HydrophobicContact CD-CE1 4.19Å; K130-Y162 HydrophobicContact CD-CE2 4.3Å; K130-Y162 WeakPolarHBondContact CD-OH 3.15Å; K130-Y162 WeakPolarHBondContact CE-OH 2.95Å; K130-Y162 HydrophobicContact CG-CD1 4.36Å; K130-Y162 HydrophobicContact CG-CD2 4.44Å; K130-Y162 HydrophobicContact CG-CE1 3.87Å; K130-Y162 HydrophobicContact CG-CE2 3.95Å
131D94Very high91.2Very high83 Ų8377.6 Ų77.644%0.44440%0.395SS..THydrogen-bonded Turntrans50.844.8-178.9-52.9-46.6000111.3E133 M161D131-E133 PolarHBondContact O-N 2.74Å; D131-M161 PolarHBondContact N-O 3.14Å; D131-M161 PolarHBondContact OD1-N 3.48Å
132D91.2Very high91.8Very high129 Ų12976 Ų7669%0.6939%0.388SS*.THydrogen-bonded Turntrans64.64.9-175.2-61.6-45000116.7K130K130-D132 PolarHBondContact O-N 3.43Å
133E94.2Very high91.8Very high151 Ų15175.9 Ų75.971%0.70638%0.384SS*.EExtended strand (participates in β ladder)trans-102.2143.8174.4-64.8-167.2167.600112.9L129 K130 D131 I135L129-E133 CarbonylContact C-O 3.58Å; L129-E133 WeakPolarHBondContact CA-O 2.9Å; K130-E133 PolarHBondContact N-O 3.04Å; K130-E133 PolarHBondContact O-N 2.75Å; D131-E133 PolarHBondContact O-N 2.74Å; E133-I135 PolarHBondContact O-N 3.07Å
134L92.9Very high91.7Very high114 Ų11470.5 Ų70.560%0.59736%0.362SS*.EExtended strand (participates in β ladder)trans-64.5125.8177.8-174.571.4000111.4T127 L129 K136T127-L134 HydrophobicContact CG2-CD1 4.34Å; L129-L134 HydrophobicContact CD2-CB 4.3Å; L129-L134 HydrophobicContact CD2-CD1 4.21Å; L134-K136 PolarHBondContact O-N 3.17Å
135I93.4Very high91Very high27 Ų2774.2 Ų74.214%0.13838%0.382CS..PPolyproline II helixtrans-70.1130.1178-62.4179.8000110.3W128 K130 E133 V141 L149 Y162W128-I135 HydrophobicContact CB-CD1 3.73Å; W128-I135 HydrophobicContact CB-CG1 4.37Å; W128-I135 WeakPolarHBondContact O-CG1 3.28Å; W128-I135 PolarHBondContact O-N 3.35Å; K130-I135 HydrophobicContact CB-CD1 3.87Å; K130-I135 HydrophobicContact CB-CG1 3.69Å; E133-I135 PolarHBondContact O-N 3.07Å; I135-V141 HydrophobicContact CG2-CG1 3.64Å; I135-L149 HydrophobicContact CD1-CD1 4.25Å; I135-L149 HydrophobicContact CD1-CD2 3.54Å; I135-Y162 HydrophobicContact CD1-CD1 3.61Å; I135-Y162 HydrophobicContact CD1-CE1 3.54Å
136K90.1Very high89.8Confident191 Ų19171.4 Ų71.483%0.8336%0.363SS*.PPolyproline II helixtrans-79.9119.4173.1-64.6179.4-176.4173.70110.4L134L134-K136 PolarHBondContact O-N 3.17Å
137I90.9Very high89Confident100 Ų10070.8 Ų70.851%0.51336%0.36SS..PPolyproline II helixtrans-70137176.9-53.7-53.4000110.3V141 I143I137-V141 WeakPolarHBondContact CA-O 3.42Å; I137-I143 HydrophobicContact CD1-CB 4.47Å; I137-I143 HydrophobicContact CD1-CD1 3.63Å; I137-I143 HydrophobicContact CD1-CG1 3.64Å
138S91Very high88.4Confident57 Ų5768.4 Ų68.440%0.39935%0.345SS..  trans-152.1174.8-179.363.40000110.5R140 V141 T142S138-R140 PolarHBondContact O-N 3.32Å; S138-R140 PolarHBondContact OG-N 3.38Å; S138-V141 PolarHBondContact N-O 2.95Å; S138-V141 CarbonylContact O-C 3.49Å; S138-V141 PolarHBondContact O-N 3.48Å; S138-V141 PolarHBondContact OG-N 3.29Å; S138-T142 WeakPolarHBondContact O-CG2 3.39Å
139D88.2Confident88.1Confident164 Ų16468.4 Ų68.488%0.87735%0.345SS*.SBendtrans-56.8-24.5173.5-64.9-14000113.2
140R92.9Very high87.8Confident57 Ų5769.5 Ų69.522%0.21535%0.348CS..SBendtrans-86.5-39.8178.6-169.5176.974.684.40.5112.3S138 H152 R153 D158S138-R140 PolarHBondContact O-N 3.32Å; S138-R140 PolarHBondContact OG-N 3.38Å; R140-H152 PolarHBondContact O-N 3.23Å; R140-H152 PolarHBondContact O-ND1 2.77Å; R140-R153 PolarHBondContact NH1-O 2.74Å; R140-D158 IonicContact CZ-OD1 3.07Å; R140-D158 IonicContact CZ-OD2 2.69Å; R140-D158 VanDerWaalsContact NH1-CG 3.27Å; R140-D158 IonicContact NH1-OD1 3.28Å; R140-D158 PolarHBondContact NH1-OD1 2.84Å; R140-D158 VanDerWaalsContact NH1-OD1 3.08Å; R140-D158 IonicContact NH1-OD2 3.3Å; R140-D158 PolarHBondContact NH1-OD2 2.82Å; R140-D158 IonicContact NH2-OD1 3.94Å; R140-D158 PolarHBondContact NH2-OD1 3.41Å; R140-D158 IonicContact NH2-OD2 3.39Å
141V92.3Very high87.6Confident11 Ų1167.1 Ų67.17%0.06734%0.338CS..EExtended strand (participates in β ladder)trans-120.5108-173.2-176.70000109.2I135 I137 S138 L149 K150 I151I135-V141 HydrophobicContact CG2-CG1 3.64Å; I137-V141 WeakPolarHBondContact CA-O 3.42Å; S138-V141 PolarHBondContact N-O 2.95Å; S138-V141 CarbonylContact O-C 3.49Å; S138-V141 PolarHBondContact O-N 3.48Å; S138-V141 PolarHBondContact OG-N 3.29Å; V141-L149 HydrophobicContact CG1-CD1 3.68Å; V141-L149 HydrophobicContact CG1-CG 4.47Å; V141-K150 WeakPolarHBondContact CA-O 3.3Å; V141-I151 HydrophobicContact CG1-CG1 4.32Å; V141-I151 HydrophobicContact CG2-CG1 4.33Å; V141-I151 HydrophobicContact CG2-CG2 4.3Å
142T90.4Very high87.1Confident37 Ų3765.9 Ų65.923%0.22733%0.329CS..EExtended strand (participates in β ladder)trans-125.5143.1-173.655.30000110.5S138 K150S138-T142 WeakPolarHBondContact O-CG2 3.39Å; T142-K150 PolarHBondContact N-O 3.19Å; T142-K150 PolarHBondContact O-N 2.88Å
143I85.8Confident86.9Confident47 Ų4766.5 Ų66.524%0.24132%0.322CS..EExtended strand (participates in β ladder)trans-94.9130.9167.3-62.9170.2000107.7I137 A148 L149I137-I143 HydrophobicContact CD1-CB 4.47Å; I137-I143 HydrophobicContact CD1-CD1 3.63Å; I137-I143 HydrophobicContact CD1-CG1 3.64Å; I143-A148 WeakPolarHBondContact CA-O 3.39Å; I143-L149 HydrophobicContact CG1-CD1 4.02Å
144L80.3Confident86.8Confident38 Ų3859.3 Ų59.320%0.19929%0.288CS..  trans-81.8159.7178.1-57.1178.8000110.7V113 Y146 G147 A148 K150V113-L144 HydrophobicContact CG1-CD1 4.45Å; L144-Y146 HydrophobicContact CB-CD1 3.96Å; L144-Y146 HydrophobicContact CB-CE1 3.68Å; L144-Y146 HydrophobicContact CD1-CE1 3.67Å; L144-Y146 WeakPolarHBondContact CD1-OH 3.47Å; L144-Y146 HydrophobicContact CG-CE1 4.31Å; L144-Y146 PolarHBondContact O-N 3.06Å; L144-G147 WeakPolarHBondContact O-CA 3.25Å; L144-G147 PolarHBondContact O-N 3.24Å; L144-A148 HydrophobicContact CB-CB 4.5Å; L144-A148 HydrophobicContact CD1-CB 4.23Å; L144-A148 PolarHBondContact N-O 3.41Å; L144-K150 HydrophobicContact CD1-CB 4.39Å; L144-K150 HydrophobicContact CD1-CD 4.43Å; L144-K150 HydrophobicContact CD2-CB 4.39Å; L144-K150 HydrophobicContact CD2-CD 4.06Å; L144-K150 HydrophobicContact CG-CB 4.28Å
145D73.2Confident86.8Confident88 Ų8857.1 Ų57.147%0.47128%0.275SS..THydrogen-bonded Turntrans-59.2-20.3-174.4-60.3-37.9000115.3K123 S596 A597K123-D145 WeakPolarHBondContact CE-O 3.47Å; K123-D145 PolarHBondContact NZ-O 2.77Å; D145-S596 VanDerWaalsContact OD2-CA 3.29Å; D145-S596 WeakPolarHBondContact OD2-CA 3.04Å; D145-A597 PolarHBondContact OD2-N 2.78Å; D145-A597 VanDerWaalsContact OD2-N 3.12Å
146Y67.5Low86.7Confident53 Ų5359.8 Ų59.821%0.20829%0.293CS..THydrogen-bonded Turntrans-98.79.9176.862.4-91.3000113.2V117 L144 A148 A597 L598V117-Y146 HydrophobicContact CG2-CD2 4.08Å; L144-Y146 HydrophobicContact CB-CD1 3.96Å; L144-Y146 HydrophobicContact CB-CE1 3.68Å; L144-Y146 HydrophobicContact CD1-CE1 3.67Å; L144-Y146 WeakPolarHBondContact CD1-OH 3.47Å; L144-Y146 HydrophobicContact CG-CE1 4.31Å; L144-Y146 PolarHBondContact O-N 3.06Å; Y146-A148 HydrophobicContact CD2-CB 3.92Å; Y146-A148 HydrophobicContact CE2-CB 3.3Å; Y146-A597 HydrophobicContact CD1-CB 3.91Å; Y146-A597 WeakPolarHBondContact CD1-O 3.11Å; Y146-A597 HydrophobicContact CE1-CB 3.81Å; Y146-L598 WeakPolarHBondContact CD1-O 3.2Å; Y146-L598 VanDerWaalsContact CG-O 3.26Å
147G76.9Confident86.8Confident1 Ų156.1 Ų56.11%0.0128%0.279CS..SBendtrans94.4-1.4170.600000116.4C116 V126 W128 L144C116-G147 CarbonylContact O-C 3.54Å; C116-G147 WeakPolarHBondContact O-CA 3.44Å; V126-G147 WeakPolarHBondContact CG1-O 3.22Å; W128-G147 PolarHBondContact NE1-O 3.28Å; L144-G147 WeakPolarHBondContact O-CA 3.25Å; L144-G147 PolarHBondContact O-N 3.24Å
148A83.3Confident87Confident0 Ų051.8 Ų51.80%026%0.257CS..  trans-75.1140.4179.400000113.2V113 L114 I143 L144 Y146V113-A148 HydrophobicContact CG1-CB 4.02Å; L114-A148 CarbonylContact O-C 3.56Å; L114-A148 WeakPolarHBondContact O-CA 3.34Å; L114-A148 VanDerWaalsContact O-CB 3.29Å; L114-A148 WeakPolarHBondContact O-CB 3.38Å; I143-A148 WeakPolarHBondContact CA-O 3.39Å; L144-A148 HydrophobicContact CB-CB 4.5Å; L144-A148 HydrophobicContact CD1-CB 4.23Å; L144-A148 PolarHBondContact N-O 3.41Å; Y146-A148 HydrophobicContact CD2-CB 3.92Å; Y146-A148 HydrophobicContact CE2-CB 3.3Å
149L90.6Very high87.1Confident0 Ų050.9 Ų50.90%025%0.253CS..EExtended strand (participates in β ladder)trans-86.5121.2174-176.170.5000110.1V113 L114 W128 I135 V141 I143 I151 Y162V113-L149 CarbonylContact C-O 3.2Å; V113-L149 WeakPolarHBondContact CA-O 3.45Å; L114-L149 HydrophobicContact CB-CB 4.32Å; L114-L149 HydrophobicContact CD1-CD2 4.39Å; L114-L149 PolarHBondContact N-O 3.4Å; L114-L149 PolarHBondContact O-N 3.48Å; W128-L149 HydrophobicContact CB-CD1 4.21Å; W128-L149 HydrophobicContact CB-CD2 4.3Å; W128-L149 HydrophobicContact CD2-CB 3.63Å; W128-L149 HydrophobicContact CD2-CD2 4.11Å; W128-L149 HydrophobicContact CD2-CG 4.37Å; W128-L149 HydrophobicContact CE3-CB 4.22Å; W128-L149 HydrophobicContact CE3-CD2 4.12Å; W128-L149 HydrophobicContact CG-CB 3.84Å; W128-L149 HydrophobicContact CG-CD1 4.15Å; W128-L149 HydrophobicContact CG-CD2 4.21Å; W128-L149 HydrophobicContact CG-CG 4.3Å; W128-L149 HydrophobicContact CZ2-CB 3.96Å; I135-L149 HydrophobicContact CD1-CD1 4.25Å; I135-L149 HydrophobicContact CD1-CD2 3.54Å; V141-L149 HydrophobicContact CG1-CD1 3.68Å; V141-L149 HydrophobicContact CG1-CG 4.47Å; I143-L149 HydrophobicContact CG1-CD1 4.02Å; L149-I151 HydrophobicContact CD2-CD1 4.38Å; L149-I151 HydrophobicContact CG-CG1 4.44Å; L149-Y162 HydrophobicContact CD2-CD1 3.53Å; L149-Y162 HydrophobicContact CD2-CE1 3.65Å
150K89.1Confident87.4Confident60 Ų6043.9 Ų43.926%0.26122%0.22SC..EExtended strand (participates in β ladder)trans-112128178.3-178.2178-172-172.50110.9A112 V113 V141 T142 L144 H152A112-K150 CarbonylContact O-C 3.56Å; A112-K150 VanDerWaalsContact O-CA 3.32Å; A112-K150 WeakPolarHBondContact O-CA 3.23Å; V113-K150 HydrophobicContact CG2-CG 4.17Å; V141-K150 WeakPolarHBondContact CA-O 3.3Å; T142-K150 PolarHBondContact N-O 3.19Å; T142-K150 PolarHBondContact O-N 2.88Å; L144-K150 HydrophobicContact CD1-CB 4.39Å; L144-K150 HydrophobicContact CD1-CD 4.43Å; L144-K150 HydrophobicContact CD2-CB 4.39Å; L144-K150 HydrophobicContact CD2-CD 4.06Å; L144-K150 HydrophobicContact CG-CB 4.28Å; K150-H152 WeakPolarHBondContact CE-NE2 3.09Å; K150-H152 PolarHBondContact NZ-NE2 2.84Å
151I91.4Very high87.6Confident2 Ų245.5 Ų45.51%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-120.9116177.1-52.7175.4000107.9K111 A112 V141 L149 I154 Y162 I180K111-I151 CarbonylContact C-O 3.58Å; K111-I151 WeakPolarHBondContact CA-O 3.39Å; A112-I151 HydrophobicContact CB-CB 4.13Å; A112-I151 PolarHBondContact N-O 3.33Å; A112-I151 PolarHBondContact O-N 2.84Å; V141-I151 HydrophobicContact CG1-CG1 4.32Å; V141-I151 HydrophobicContact CG2-CG1 4.33Å; V141-I151 HydrophobicContact CG2-CG2 4.3Å; L149-I151 HydrophobicContact CD2-CD1 4.38Å; L149-I151 HydrophobicContact CG-CG1 4.44Å; I151-I154 HydrophobicContact CB-CD1 3.99Å; I151-I154 HydrophobicContact CD1-CD1 4.16Å; I151-I154 HydrophobicContact CG2-CD1 3.77Å; I151-I154 HydrophobicContact CG2-CG1 4.38Å; I151-Y162 HydrophobicContact CD1-CE1 4.45Å; I151-I180 HydrophobicContact CD1-CD1 4.25Å
152H82.6Confident87.8Confident56 Ų5645.2 Ų45.226%0.25923%0.228SC..SBendtrans-81.2-26.1-169.3-73.983.9000115.4K111 R140 K150K111-H152 VanDerWaalsContact CG-O 3.29Å; K111-H152 WeakPolarHBondContact CG-O 3.09Å; R140-H152 PolarHBondContact O-N 3.23Å; R140-H152 PolarHBondContact O-ND1 2.77Å; K150-H152 WeakPolarHBondContact CE-NE2 3.09Å; K150-H152 PolarHBondContact NZ-NE2 2.84Å
153R87.8Confident88Confident142 Ų14247.8 Ų47.854%0.53623%0.234SC..SBendtrans-141.197.3179.6-75.3-175.5-74.7161-1.4107.4E109 R140 Q155E109-R153 WeakPolarHBondContact OE2-CD 3.48Å; R140-R153 PolarHBondContact NH1-O 2.74Å; R153-Q155 PolarHBondContact O-N 3.38Å
154I92.4Very high88.4Confident0 Ų045.5 Ų45.50%022%0.222CC..  trans-65.6128.7179.4-73.5-73.2000109.8L106 V108 E109 S110 A112 I151 D158 V182L106-I154 HydrophobicContact CB-CG1 4.49Å; L106-I154 HydrophobicContact CB-CG2 4.34Å; L106-I154 HydrophobicContact CD1-CD1 3.88Å; L106-I154 HydrophobicContact CD1-CG1 4.04Å; V108-I154 WeakPolarHBondContact CA-O 3.09Å; E109-I154 PolarHBondContact N-O 3.23Å; S110-I154 WeakPolarHBondContact O-CG1 3.45Å; S110-I154 PolarHBondContact O-N 2.93Å; A112-I154 HydrophobicContact CB-CD1 3.67Å; A112-I154 HydrophobicContact CB-CG1 3.97Å; I151-I154 HydrophobicContact CB-CD1 3.99Å; I151-I154 HydrophobicContact CD1-CD1 4.16Å; I151-I154 HydrophobicContact CG2-CD1 3.77Å; I151-I154 HydrophobicContact CG2-CG1 4.38Å; I154-D158 WeakPolarHBondContact CA-OD2 3.5Å; I154-D158 HydrophobicContact CD1-CB 4.16Å; I154-V182 HydrophobicContact CG2-CB 4.4Å; I154-V182 HydrophobicContact CG2-CG1 3.77Å; I154-V182 HydrophobicContact CG2-CG2 3.73Å
155Q93.8Very high89.2Confident68 Ų6844.5 Ų44.532%0.31822%0.217SC..  trans-115.8161.2176.2-62-178.9-44.500109.4R153 E157 D158R153-Q155 PolarHBondContact O-N 3.38Å; Q155-E157 WeakPolarHBondContact CB-OE2 3.2Å; Q155-E157 PolarHBondContact O-N 3.14Å; Q155-E157 PolarHBondContact OE1-OE2 3.29Å; Q155-D158 PolarHBondContact N-OD2 3.05Å; Q155-D158 WeakPolarHBondContact O-CB 2.8Å; Q155-D158 PolarHBondContact O-N 3.09Å
156T90.4Very high90.2Very high84 Ų8440.3 Ų40.352%0.51520%0.195SC..G310 helixtrans-59.2-30.4178.333.10000112.7V108 D158 A159 V182 T184V108-T156 HydrophobicContact CG2-CG2 4.25Å; T156-D158 VanDerWaalsContact C-N 3.26Å; T156-D158 PolarHBondContact O-N 3.1Å; T156-A159 WeakPolarHBondContact O-CB 3.35Å; T156-A159 PolarHBondContact O-N 3.25Å; T156-V182 HydrophobicContact CG2-CG1 4.34Å; T156-T184 HydrophobicContact CG2-CG2 4.21Å
157E93Very high91.4Very high113 Ų11344 Ų4453%0.52821%0.212SC..G310 helixtrans-72.6-15.1177.6-48.580.8-104.900113.8K130 Q155 A159K130-E157 PolarHBondContact NZ-O 3.43Å; Q155-E157 WeakPolarHBondContact CB-OE2 3.2Å; Q155-E157 PolarHBondContact O-N 3.14Å; Q155-E157 PolarHBondContact OE1-OE2 3.29Å; E157-A159 PolarHBondContact O-N 3.32Å
158D93.8Very high92.2Very high9 Ų944.7 Ų44.75%0.04822%0.216CC..G310 helixtrans-77.4-11.4176.3-62.5-41.4000112.1R140 I154 Q155 T156 Y162R140-D158 IonicContact CZ-OD1 3.07Å; R140-D158 IonicContact CZ-OD2 2.69Å; R140-D158 VanDerWaalsContact NH1-CG 3.27Å; R140-D158 IonicContact NH1-OD1 3.28Å; R140-D158 PolarHBondContact NH1-OD1 2.84Å; R140-D158 VanDerWaalsContact NH1-OD1 3.08Å; R140-D158 IonicContact NH1-OD2 3.3Å; R140-D158 PolarHBondContact NH1-OD2 2.82Å; R140-D158 IonicContact NH2-OD1 3.94Å; R140-D158 PolarHBondContact NH2-OD1 3.41Å; R140-D158 IonicContact NH2-OD2 3.39Å; I154-D158 WeakPolarHBondContact CA-OD2 3.5Å; I154-D158 HydrophobicContact CD1-CB 4.16Å; Q155-D158 PolarHBondContact N-OD2 3.05Å; Q155-D158 WeakPolarHBondContact O-CB 2.8Å; Q155-D158 PolarHBondContact O-N 3.09Å; T156-D158 VanDerWaalsContact C-N 3.26Å; T156-D158 PolarHBondContact O-N 3.1Å; D158-Y162 VanDerWaalsContact O-CE2 3.28Å; D158-Y162 WeakPolarHBondContact O-CE2 3.42Å; D158-Y162 PolarHBondContact O-OH 3.2Å
159A94.3Very high92.6Very high39 Ų3949.4 Ų49.432%0.32225%0.249SC..  trans-59.7140.2170.500000110.4K130 T156 E157 I180 V182K130-A159 WeakPolarHBondContact CE-O 3.44Å; K130-A159 PolarHBondContact NZ-O 2.84Å; T156-A159 WeakPolarHBondContact O-CB 3.35Å; T156-A159 PolarHBondContact O-N 3.25Å; E157-A159 PolarHBondContact O-N 3.32Å; A159-I180 WeakPolarHBondContact CA-O 3.46Å; A159-V182 HydrophobicContact CB-CB 4.46Å; A159-V182 HydrophobicContact CB-CG2 4.01Å
160G94.3Very high92.4Very high17 Ų1752.4 Ų52.418%0.17526%0.262CS..EExtended strand (participates in β ladder)trans152.8-176.5-177.400000113.1Y162 I180G160-Y162 WeakPolarHBondContact O-CD2 3.25Å; G160-I180 PolarHBondContact N-O 3.19Å; G160-I180 PolarHBondContact O-N 2.94Å
161M96.6Very high92.5Very high91 Ų9150.8 Ų50.845%0.44826%0.262SS..EExtended strand (participates in β ladder)trans-95.4131.1178.1-169.3-179.2-58.800110.3K130 D131 P177 V178K130-M161 CarbonylContact C-O 3.48Å; K130-M161 VanDerWaalsContact CA-O 3.32Å; K130-M161 WeakPolarHBondContact CA-O 3.45Å; D131-M161 PolarHBondContact N-O 3.14Å; D131-M161 PolarHBondContact OD1-N 3.48Å; M161-P177 HydrophobicContact CG-CB 3.94Å; M161-P177 HydrophobicContact SD-CB 3.6Å; M161-P177 VanDerWaalsContact SD-CB 3.6Å; M161-V178 CarbonylContact C-O 3.58Å; M161-V178 WeakPolarHBondContact CA-O 3.31Å
162Y96.2Very high92.6Very high5 Ų555.4 Ų55.42%0.0229%0.286CS..EExtended strand (participates in β ladder)trans-117.6149-178.1-69.9-105.7000110.9L114 W128 L129 K130 I135 L149 I151 D158 G160 V178 I180L114-Y162 HydrophobicContact CD1-CD1 4.13Å; L114-Y162 HydrophobicContact CD1-CD2 4.42Å; L114-Y162 HydrophobicContact CD1-CG 3.89Å; W128-Y162 HydrophobicContact CE3-CD1 4.48Å; L129-Y162 CarbonylContact O-C 3.59Å; L129-Y162 VanDerWaalsContact O-CA 3.23Å; L129-Y162 WeakPolarHBondContact O-CA 3.44Å; K130-Y162 HydrophobicContact CB-CD1 4.18Å; K130-Y162 HydrophobicContact CB-CE1 3.92Å; K130-Y162 HydrophobicContact CD-CE1 4.19Å; K130-Y162 HydrophobicContact CD-CE2 4.3Å; K130-Y162 WeakPolarHBondContact CD-OH 3.15Å; K130-Y162 WeakPolarHBondContact CE-OH 2.95Å; K130-Y162 HydrophobicContact CG-CD1 4.36Å; K130-Y162 HydrophobicContact CG-CD2 4.44Å; K130-Y162 HydrophobicContact CG-CE1 3.87Å; K130-Y162 HydrophobicContact CG-CE2 3.95Å; I135-Y162 HydrophobicContact CD1-CD1 3.61Å; I135-Y162 HydrophobicContact CD1-CE1 3.54Å; L149-Y162 HydrophobicContact CD2-CD1 3.53Å; L149-Y162 HydrophobicContact CD2-CE1 3.65Å; I151-Y162 HydrophobicContact CD1-CE1 4.45Å; D158-Y162 VanDerWaalsContact O-CE2 3.28Å; D158-Y162 WeakPolarHBondContact O-CE2 3.42Å; D158-Y162 PolarHBondContact O-OH 3.2Å; G160-Y162 WeakPolarHBondContact O-CD2 3.25Å; Y162-V178 PolarHBondContact N-O 2.9Å; Y162-V178 WeakPolarHBondContact O-CG1 3.38Å; Y162-V178 PolarHBondContact O-N 2.83Å; Y162-I180 HydrophobicContact CD2-CB 4.28Å; Y162-I180 HydrophobicContact CD2-CD1 3.79Å; Y162-I180 HydrophobicContact CD2-CG1 3.68Å; Y162-I180 HydrophobicContact CE1-CD1 4.31Å; Y162-I180 HydrophobicContact CE2-CB 3.94Å; Y162-I180 HydrophobicContact CE2-CD1 3.44Å; Y162-I180 VanDerWaalsContact CE2-CD1 3.44Å; Y162-I180 HydrophobicContact CE2-CG1 3.64Å; Y162-I180 HydrophobicContact CG-CD1 4.37Å
163R95.9Very high93Very high90 Ų9053.5 Ų53.534%0.3428%0.281SS..EExtended strand (participates in β ladder)trans-147.7136.4175.4-163.5175.3-165.7171.1-0111.3W128 L129 S175W128-R163 CarbonylContact C-O 3.58Å; W128-R163 WeakPolarHBondContact CA-O 3.07Å; L129-R163 HydrophobicContact CB-CB 4.38Å; L129-R163 PolarHBondContact N-O 2.69Å; L129-R163 PolarHBondContact O-N 3.38Å; R163-S175 PolarHBondContact NE-O 3.25Å; R163-S175 PolarHBondContact NH2-O 3.02Å
164C94.1Very high93.3Very high0 Ų052 Ų520%028%0.278CS..EExtended strand (participates in β ladder)trans-95.6143.5176.1172.30000111.5C116 V126 W128 F174 S175C116-C164 HydrophobicContact CB-CB 3.37Å; C116-C164 WeakPolarHBondContact CB-SG 3.12Å; C116-C164 WeakPolarHBondContact SG-CB 2.96Å; C116-C164 CovalentContact SG-SG 2Å; C116-C164 PolarHBondContact SG-SG 2.87Å; V126-C164 WeakPolarHBondContact CG1-SG 3.33Å; W128-C164 HydrophobicContact CD2-CB 3.98Å; W128-C164 HydrophobicContact CE3-CB 4.19Å; W128-C164 HydrophobicContact CH2-CB 4.03Å; W128-C164 HydrophobicContact CZ2-CB 3.82Å; W128-C164 HydrophobicContact CZ3-CB 4.2Å; C164-F174 WeakPolarHBondContact O-CA 3.02Å; C164-S175 PolarHBondContact N-OG 3.35Å; C164-S175 PolarHBondContact O-N 3Å
165V96.1Very high93.3Very high16 Ų1652.1 Ų52.110%0.09728%0.279CS..EExtended strand (participates in β ladder)trans-128.8120.9178.4-171.80000109.4V126 T127 L129 L172 A173 F174V126-V165 WeakPolarHBondContact CA-O 3.4Å; T127-V165 PolarHBondContact N-O 3.29Å; T127-V165 PolarHBondContact O-N 3.37Å; T127-V165 PolarHBondContact OG1-O 3.16Å; L129-V165 HydrophobicContact CD1-CG2 3.93Å; L129-V165 HydrophobicContact CG-CG2 4.09Å; V165-L172 HydrophobicContact CG1-CD2 4.3Å; V165-A173 WeakPolarHBondContact CA-O 3.23Å; V165-F174 HydrophobicContact CB-CD1 4.43Å; V165-F174 HydrophobicContact CB-CE1 4.43Å; V165-F174 HydrophobicContact CG1-CD1 4.11Å; V165-F174 HydrophobicContact CG1-CE1 3.76Å; V165-F174 HydrophobicContact CG1-CZ 4.3Å; V165-F174 HydrophobicContact CG2-CD1 3.78Å; V165-F174 HydrophobicContact CG2-CE1 3.87Å
166A93.8Very high93.1Very high0 Ų055.9 Ų55.90%029%0.294CS..EExtended strand (participates in β ladder)trans-109.2132179.400000110.8P95 I97 T118 P124 D125 V126 L172 A173P95-A166 HydrophobicContact CB-CB 3.98Å; I97-A166 HydrophobicContact CG1-CB 4.36Å; T118-A166 HydrophobicContact CG2-CB 3.37Å; P124-A166 HydrophobicContact CB-CB 4.18Å; D125-A166 CarbonylContact O-C 3.55Å; D125-A166 WeakPolarHBondContact O-CA 3.34Å; V126-A166 HydrophobicContact CG2-CB 4.47Å; A166-L172 CarbonylContact O-C 3.37Å; A166-L172 VanDerWaalsContact O-CA 3.27Å; A166-L172 WeakPolarHBondContact O-CA 3.41Å; A166-A173 HydrophobicContact CB-CB 4.4Å; A166-A173 PolarHBondContact N-O 3.11Å; A166-A173 PolarHBondContact O-N 3.43Å
167K94.3Very high93.2Very high130 Ų13055.4 Ų55.457%0.56529%0.292SS*.EExtended strand (participates in β ladder)trans-134.3134.7-174.4-174.6178179.1-175.40112.3P124 D125 L172P124-K167 CarbonylContact C-O 3.49Å; P124-K167 VanDerWaalsContact CA-O 3.23Å; P124-K167 WeakPolarHBondContact CA-O 3.42Å; D125-K167 PolarHBondContact N-O 2.88Å; D125-K167 PolarHBondContact O-N 2.79Å; K167-L172 HydrophobicContact CB-CD2 3.51Å; K167-L172 HydrophobicContact CD-CD2 3.92Å; K167-L172 HydrophobicContact CG-CD2 3.51Å; K167-L172 HydrophobicContact CG-CG 4.46Å
168N92.3Very high93.2Very high17 Ų1750 Ų509%0.09127%0.267CS..EExtended strand (participates in β ladder)trans-136.2-176.4161.374.58.5000110.2M93 P95 P122 F170 G171M93-N168 PolarHBondContact O-ND2 2Å; P95-N168 WeakPolarHBondContact CD-OD1 3.41Å; P95-N168 HydrophobicContact CG-CB 4.01Å; P95-N168 WeakPolarHBondContact CG-OD1 3.41Å; P122-N168 WeakPolarHBondContact O-CB 3.48Å; P122-N168 PolarHBondContact O-ND2 2.92Å; N168-F170 PolarHBondContact O-N 3.47Å; N168-F170 VanDerWaalsContact O-N 3.1Å; N168-F170 WeakPolarHBondContact OD1-CA 3.47Å; N168-F170 WeakPolarHBondContact OD1-CB 3.44Å; N168-F170 PolarHBondContact OD1-N 2.94Å; N168-G171 PolarHBondContact N-O 2.77Å; N168-G171 PolarHBondContact O-N 2.92Å; N168-G171 PolarHBondContact OD1-N 3.33Å; N168-G171 VanDerWaalsContact OD1-N 3.16Å
169S91.4Very high93.3Very high98 Ų9852.1 Ų52.169%0.68528%0.28SS*.THydrogen-bonded Turntrans-61.8-15.6179.850.40000114.4
170F87.7Confident93.2Very high63 Ų6350.3 Ų50.328%0.27627%0.266SS..THydrogen-bonded Turntrans-105.7-6.7-177.3-66.4-89.3000113.7D12 L14 K92 K94 P122 N168D12-F170 HydrophobicContact CB-CZ 4.26Å; L14-F170 HydrophobicContact CD1-CD1 4.31Å; L14-F170 HydrophobicContact CD2-CB 4.19Å; L14-F170 HydrophobicContact CD2-CD1 4.02Å; L14-F170 HydrophobicContact CD2-CG 4.16Å; L14-F170 HydrophobicContact CG-CD1 4.08Å; K92-F170 HydrophobicContact CB-CD2 4.29Å; K92-F170 HydrophobicContact CB-CE1 4.37Å; K92-F170 HydrophobicContact CB-CE2 3.95Å; K92-F170 HydrophobicContact CB-CZ 4Å; K92-F170 HydrophobicContact CD-CE2 4.48Å; K92-F170 HydrophobicContact CG-CE2 3.84Å; K92-F170 HydrophobicContact CG-CZ 3.76Å; K94-F170 VanDerWaalsContact CE-O 3.29Å; K94-F170 WeakPolarHBondContact CE-O 3.31Å; K94-F170 HydrophobicContact CG-CB 4.07Å; K94-F170 WeakPolarHBondContact CG-O 3.44Å; P122-F170 HydrophobicContact CG-CE2 4.43Å; N168-F170 PolarHBondContact O-N 3.47Å; N168-F170 VanDerWaalsContact O-N 3.1Å; N168-F170 WeakPolarHBondContact OD1-CA 3.47Å; N168-F170 WeakPolarHBondContact OD1-CB 3.44Å; N168-F170 PolarHBondContact OD1-N 2.94Å
171G90.2Very high93.2Very high26 Ų2654.7 Ų54.727%0.26828%0.281SS..EExtended strand (participates in β ladder)trans162.5-163.1174.300000116.6P95 N168P95-G171 WeakPolarHBondContact CG-O 3.34Å; N168-G171 PolarHBondContact N-O 2.77Å; N168-G171 PolarHBondContact O-N 2.92Å; N168-G171 PolarHBondContact OD1-N 3.33Å; N168-G171 VanDerWaalsContact OD1-N 3.16Å
172L93.6Very high93.1Very high99 Ų9950.9 Ų50.952%0.51826%0.263SS..EExtended strand (participates in β ladder)trans-132.1150.2-178.4-70.9167.4000111.1V165 A166 K167 F174V165-L172 HydrophobicContact CG1-CD2 4.3Å; A166-L172 CarbonylContact O-C 3.37Å; A166-L172 VanDerWaalsContact O-CA 3.27Å; A166-L172 WeakPolarHBondContact O-CA 3.41Å; K167-L172 HydrophobicContact CB-CD2 3.51Å; K167-L172 HydrophobicContact CD-CD2 3.92Å; K167-L172 HydrophobicContact CG-CD2 3.51Å; K167-L172 HydrophobicContact CG-CG 4.46Å; L172-F174 HydrophobicContact CB-CE2 4.29Å
173A90.9Very high92.9Very high17 Ų1752.1 Ų52.114%0.1427%0.269CS..EExtended strand (participates in β ladder)trans-137.6145.716700000111.5P95 I97 V165 A166P95-A173 HydrophobicContact CB-CB 4.16Å; P95-A173 WeakPolarHBondContact O-CB 2.98Å; I97-A173 HydrophobicContact CD1-CB 4.26Å; I97-A173 HydrophobicContact CG1-CB 4.09Å; V165-A173 WeakPolarHBondContact CA-O 3.23Å; A166-A173 HydrophobicContact CB-CB 4.4Å; A166-A173 PolarHBondContact N-O 3.11Å; A166-A173 PolarHBondContact O-N 3.43Å
174F93.8Very high92.8Very high110 Ų11049.4 Ų49.448%0.48226%0.263SS..EExtended strand (participates in β ladder)trans-121.6138.1-177.7-62.6-91.5000111.1C164 V165 L172C164-F174 WeakPolarHBondContact O-CA 3.02Å; V165-F174 HydrophobicContact CB-CD1 4.43Å; V165-F174 HydrophobicContact CB-CE1 4.43Å; V165-F174 HydrophobicContact CG1-CD1 4.11Å; V165-F174 HydrophobicContact CG1-CE1 3.76Å; V165-F174 HydrophobicContact CG1-CZ 4.3Å; V165-F174 HydrophobicContact CG2-CD1 3.78Å; V165-F174 HydrophobicContact CG2-CE1 3.87Å; L172-F174 HydrophobicContact CB-CE2 4.29Å
175S93.3Very high92.7Very high2 Ų252 Ų521%0.01428%0.28CS..PPolyproline II helixtrans-74.6168.6173.875.70000111.3Q100 R163 C164Q100-S175 VanDerWaalsContact OE1-CA 3.26Å; R163-S175 PolarHBondContact NE-O 3.25Å; R163-S175 PolarHBondContact NH2-O 3.02Å; C164-S175 PolarHBondContact N-OG 3.35Å; C164-S175 PolarHBondContact O-N 3Å
176K90.3Very high92.6Very high147 Ų14751.5 Ų51.564%0.63928%0.277SS*.PPolyproline II helixtrans-62.3145.2159.5-64.8-177.7-179-179.90109.4
177P92.5Very high92.7Very high74 Ų7459.1 Ų59.148%0.48131%0.306SS..PPolyproline II helixtrans-66.1143.4171.728.2-32.9000110M161M161-P177 HydrophobicContact CG-CB 3.94Å; M161-P177 HydrophobicContact SD-CB 3.6Å; M161-P177 VanDerWaalsContact SD-CB 3.6Å
178V92.8Very high92.8Very high0 Ų054.2 Ų54.20%029%0.286CS..EExtended strand (participates in β ladder)trans-134.5141.7-176.171.70000110.9P101 T102 N103 L114 W128 M161 Y162P101-V178 HydrophobicContact CB-CB 4.23Å; P101-V178 HydrophobicContact CB-CG1 3.91Å; P101-V178 HydrophobicContact CB-CG2 4.34Å; P101-V178 HydrophobicContact CG-CB 4.24Å; P101-V178 HydrophobicContact CG-CG1 3.99Å; T102-V178 WeakPolarHBondContact O-CG2 3.27Å; N103-V178 WeakPolarHBondContact OD1-CA 2.94Å; N103-V178 WeakPolarHBondContact OD1-CG2 3.4Å; L114-V178 HydrophobicContact CD1-CG1 4.12Å; W128-V178 HydrophobicContact CZ3-CG1 4.48Å; M161-V178 CarbonylContact C-O 3.58Å; M161-V178 WeakPolarHBondContact CA-O 3.31Å; Y162-V178 PolarHBondContact N-O 2.9Å; Y162-V178 WeakPolarHBondContact O-CG1 3.38Å; Y162-V178 PolarHBondContact O-N 2.83Å
179T94.3Very high92.9Very high53 Ų5356.8 Ų56.833%0.32530%0.299SS..EExtended strand (participates in β ladder)trans-102.2132.7179.5-51.40000111.2N103 V104 E181N103-T179 WeakPolarHBondContact CA-O 3.25Å; N103-T179 PolarHBondContact OD1-N 3.14Å; V104-T179 PolarHBondContact N-O 2.92Å; T179-E181 HydrophobicContact CG2-CG 4.36Å
180I94Very high93Very high2 Ų259 Ų591%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-96.7122.6162.3-60-172.9000108.5V104 L106 L114 I151 A159 G160 Y162 V182V104-I180 HydrophobicContact CG2-CB 4.39Å; V104-I180 HydrophobicContact CG2-CG1 3.84Å; V104-I180 HydrophobicContact CG2-CG2 4.41Å; V104-I180 WeakPolarHBondContact O-CA 3.26Å; L106-I180 HydrophobicContact CD1-CG2 4.05Å; L114-I180 HydrophobicContact CD1-CD1 3.76Å; L114-I180 HydrophobicContact CD1-CG1 4.06Å; L114-I180 HydrophobicContact CD2-CG1 4.44Å; L114-I180 HydrophobicContact CG-CD1 4.26Å; I151-I180 HydrophobicContact CD1-CD1 4.25Å; A159-I180 WeakPolarHBondContact CA-O 3.46Å; G160-I180 PolarHBondContact N-O 3.19Å; G160-I180 PolarHBondContact O-N 2.94Å; Y162-I180 HydrophobicContact CD2-CB 4.28Å; Y162-I180 HydrophobicContact CD2-CD1 3.79Å; Y162-I180 HydrophobicContact CD2-CG1 3.68Å; Y162-I180 HydrophobicContact CE1-CD1 4.31Å; Y162-I180 HydrophobicContact CE2-CB 3.94Å; Y162-I180 HydrophobicContact CE2-CD1 3.44Å; Y162-I180 VanDerWaalsContact CE2-CD1 3.44Å; Y162-I180 HydrophobicContact CE2-CG1 3.64Å; Y162-I180 HydrophobicContact CG-CD1 4.37Å; I180-V182 HydrophobicContact CG2-CG2 4.09Å
181E93Very high93.3Very high108 Ų10860.8 Ų60.851%0.50530%0.3SS..EExtended strand (participates in β ladder)trans-103.5141.6166.9-67.1-179.4172.800110.3V104 T105 L106 T179V104-E181 PolarHBondContact O-N 3.15Å; T105-E181 CarbonylContact C-O 3.57Å; T105-E181 WeakPolarHBondContact CA-O 3.33Å; T105-E181 HydrophobicContact CG2-CB 4.05Å; T105-E181 PolarHBondContact OG1-OE2 2.92Å; L106-E181 PolarHBondContact N-O 3.04Å; T179-E181 HydrophobicContact CG2-CG 4.36Å
182V94.3Very high93.5Very high12 Ų1259.8 Ų59.87%0.07329%0.289CS..EExtended strand (participates in β ladder)trans-118.4120.3-177.8-178.30000110.9L106 V108 I154 T156 A159 I180 N212L106-V182 CarbonylContact O-C 3.51Å; L106-V182 WeakPolarHBondContact O-CA 3.38Å; V108-V182 HydrophobicContact CG2-CG1 3.39Å; I154-V182 HydrophobicContact CG2-CB 4.4Å; I154-V182 HydrophobicContact CG2-CG1 3.77Å; I154-V182 HydrophobicContact CG2-CG2 3.73Å; T156-V182 HydrophobicContact CG2-CG1 4.34Å; A159-V182 HydrophobicContact CB-CB 4.46Å; A159-V182 HydrophobicContact CB-CG2 4.01Å; I180-V182 HydrophobicContact CG2-CG2 4.09Å; V182-N212 PolarHBondContact O-ND2 3.05Å
183Q92.9Very high93.5Very high30 Ų3062.6 Ų62.614%0.1430%0.297CS..EExtended strand (participates in β ladder)trans-99.8152.5177.4-74.8-175.9-12.800111.3T105 L106 L107 V108 N212 H262T105-Q183 HydrophobicContact CG2-CG 3.62Å; T105-Q183 VanDerWaalsContact CG2-NE2 3.35Å; L106-Q183 PolarHBondContact O-N 3.07Å; L107-Q183 HydrophobicContact CD1-CB 4.41Å; V108-Q183 PolarHBondContact N-O 3.05Å; Q183-N212 CarbonylContact C-O 3.56Å; Q183-N212 VanDerWaalsContact CA-O 3.29Å; Q183-N212 WeakPolarHBondContact CA-O 3.47Å; Q183-N212 WeakPolarHBondContact CB-O 3.19Å; Q183-N212 WeakPolarHBondContact CG-O 3.32Å; Q183-H262 HydrophobicContact CB-CB 4.2Å; Q183-H262 VanDerWaalsContact OE1-CB 3.28Å
184T92.6Very high93.5Very high34 Ų3469.1 Ų69.121%0.20933%0.325CS..EExtended strand (participates in β ladder)trans-132.8138.7-179.750.40000110.8V108 T156 N212 N260V108-T184 HydrophobicContact CB-CG2 4.27Å; V108-T184 HydrophobicContact CG2-CG2 3.49Å; V108-T184 VanDerWaalsContact CG2-CG2 3.49Å; T156-T184 HydrophobicContact CG2-CG2 4.21Å; T184-N212 PolarHBondContact N-O 3.13Å; T184-N212 CarbonylContact O-C 3.53Å; T184-N212 PolarHBondContact O-N 2.85Å; T184-N212 VanDerWaalsContact O-O 3.07Å; T184-N212 WeakPolarHBondContact OG1-CB 3.4Å; T184-N212 PolarHBondContact OG1-N 3.1Å; T184-N260 PolarHBondContact O-ND2 2.03Å
185P93.6Very high93.2Very high55 Ų5567.9 Ų67.936%0.35732%0.319SS..EExtended strand (participates in β ladder)trans-67.3159178.629.9-35000112R187 N267P185-R187 PolarHBondContact O-N 3.03Å; P185-N267 HydrophobicContact CB-CB 4.2Å
186A94.2Very high92.7Very high5 Ų577.7 Ų77.74%0.04136%0.356CS..EExtended strand (participates in β ladder)trans-62.2129.4176.700000110.6T210 P215 A258 N260 N267 V269A186-T210 CarbonylContact C-O 3.57Å; A186-T210 WeakPolarHBondContact CA-O 3.44Å; A186-P215 HydrophobicContact CB-CB 4Å; A186-P215 HydrophobicContact CB-CG 3.8Å; A186-A258 HydrophobicContact CB-CB 4.49Å; A186-N260 HydrophobicContact CB-CB 4.16Å; A186-N260 WeakPolarHBondContact CB-OD1 3.44Å; A186-N260 VanDerWaalsContact N-CG 3.33Å; A186-N260 PolarHBondContact N-ND2 2.81Å; A186-N260 PolarHBondContact N-OD1 3.35Å; A186-N267 PolarHBondContact N-OD1 3.43Å; A186-N267 PolarHBondContact O-OD1 3.42Å; A186-V269 HydrophobicContact CB-CG2 3.99Å; A186-V269 WeakPolarHBondContact O-CG1 3.45Å; A186-V269 WeakPolarHBondContact O-CG2 3.29Å
187R94.6Very high92.2Very high159 Ų15971 Ų7160%0.633%0.328SS*.EExtended strand (participates in β ladder)trans-132128.5176.2-168.417879175.43.2110.3P185 A209 T210P185-R187 PolarHBondContact O-N 3.03Å; R187-A209 CarbonylContact O-C 3.33Å; R187-A209 VanDerWaalsContact O-CA 3.3Å; R187-A209 WeakPolarHBondContact O-CA 3.3Å; R187-T210 HydrophobicContact CB-CG2 4.17Å; R187-T210 PolarHBondContact N-O 3.04Å; R187-T210 PolarHBondContact O-N 3.01Å
188L95.7Very high91.2Very high28 Ų2871 Ų7115%0.14732%0.324CS..EExtended strand (participates in β ladder)trans-74.7125171.9-66.1174.6000110.2C207 N208 A209 A258 V269 K271L188-C207 WeakPolarHBondContact CD2-SG 3.47Å; L188-N208 CarbonylContact C-O 3.5Å; L188-N208 WeakPolarHBondContact CA-O 3.44Å; L188-A209 HydrophobicContact CD2-CB 4.11Å; L188-A258 HydrophobicContact CD2-CB 3.77Å; L188-V269 HydrophobicContact CD1-CG2 4.4Å; L188-V269 HydrophobicContact CD2-CG2 4.48Å; L188-V269 HydrophobicContact CG-CB 4.43Å; L188-V269 HydrophobicContact CG-CG2 3.85Å; L188-K271 HydrophobicContact CD1-CB 3.88Å; L188-K271 HydrophobicContact CD1-CG 3.74Å
189L94.7Very high90.5Very high71 Ų7179 Ų7937%0.37236%0.355SS..EExtended strand (participates in β ladder)trans-96.9-39.8173.6-58.5-178.3000111.1N208 T210 V239L189-N208 HydrophobicContact CB-CB 4.39Å; L189-N208 PolarHBondContact N-O 3.16Å; L189-T210 HydrophobicContact CD1-CG2 4.02Å; L189-T210 HydrophobicContact CD2-CG2 3.92Å; L189-T210 HydrophobicContact CG-CG2 4Å; L189-V239 HydrophobicContact CD1-CG1 3.86Å; L189-V239 HydrophobicContact CD1-CG2 3.78Å
190R94.4Very high89.5Confident145 Ų14578.6 Ų78.655%0.54736%0.361SS..EExtended strand (participates in β ladder)trans-127.8147.5169.9-62.1-164.4-176.5-173.6-0.9109.3E206 C207 N208R190-E206 IonicContact NH1-OE2 3.95Å; R190-E206 PolarHBondContact NH1-OE2 2.74Å; R190-E206 VanDerWaalsContact NH1-OE2 3.15Å; R190-C207 WeakPolarHBondContact O-CA 3.15Å; R190-N208 HydrophobicContact CB-CB 3.88Å; R190-N208 VanDerWaalsContact CD-ND2 3.32Å; R190-N208 WeakPolarHBondContact CD-ND2 3.5Å; R190-N208 HydrophobicContact CG-CB 4.24Å; R190-N208 PolarHBondContact N-O 2.92Å; R190-N208 PolarHBondContact O-N 2.64Å
191F94.5Very high88.8Confident99 Ų9980.1 Ų80.143%0.43437%0.372SS..  trans-143.7156.9-176.346.3-97.3000110.1E206 K271F191-E206 CarbonylContact C-O 3.56Å; F191-K271 HydrophobicContact CB-CB 3.7Å; F191-K271 HydrophobicContact CB-CG 4.01Å; F191-K271 HydrophobicContact CG-CB 4.3Å; F191-K271 HydrophobicContact CG-CG 4.16Å
192P94.4Very high88.4Confident6 Ų681.6 Ų81.64%0.03938%0.379CS..  trans-62.9143.9-178.127.8-37.8000110.7L205 E206 W219 C256 A273P192-L205 HydrophobicContact CB-CB 4.21Å; P192-L205 HydrophobicContact CB-CD1 4.5Å; P192-L205 HydrophobicContact CB-CD2 4.14Å; P192-E206 VanDerWaalsContact N-O 3.16Å; P192-W219 HydrophobicContact CB-CH2 4.13Å; P192-W219 HydrophobicContact CB-CZ3 4.04Å; P192-W219 HydrophobicContact CG-CH2 4.2Å; P192-W219 HydrophobicContact CG-CZ3 3.93Å; P192-C256 HydrophobicContact CG-CB 4.45Å; P192-A273 HydrophobicContact CB-CB 3.72Å; P192-A273 HydrophobicContact CG-CB 4.13Å
193K92.4Very high88.2Confident157 Ų15781.9 Ų81.968%0.68338%0.38SS*.  trans-110.3152.6176.2-65.5-176.7-179.6179.40110K195 A273K193-K195 PolarHBondContact O-N 3.04Å; K193-A273 VanDerWaalsContact C-CB 3.43Å; K193-A273 WeakPolarHBondContact O-CB 3.42Å
194E91.4Very high88.2Confident155 Ų15583.2 Ų83.272%0.72439%0.39SS*.  trans-57.6137.6175.6-61.5-171164.400110.8R274E194-R274 WeakPolarHBondContact CA-O 3.41Å
195K87Confident88.3Confident84 Ų8481.7 Ų81.737%0.36538%0.381SS..EExtended strand (participates in β ladder)trans-137.5141.6179.5-75.5-173.1175.9-177.50110.1K193 T204 L205 R274 V275 T276K193-K195 PolarHBondContact O-N 3.04Å; K195-T204 PolarHBondContact NZ-O 3.47Å; K195-L205 HydrophobicContact CD-CD2 4.28Å; K195-R274 PolarHBondContact N-O 3.41Å; K195-V275 VanDerWaalsContact O-CA 3.31Å; K195-V275 WeakPolarHBondContact O-CA 3.49Å; K195-T276 PolarHBondContact O-N 3.36Å
196R83.9Confident88.3Confident208 Ų20883.2 Ų83.279%0.78538%0.383SS*.EExtended strand (participates in β ladder)trans-98.1134.3164.4-55.7-170.7178-131.30.1107.4T276 I278R196-T276 WeakPolarHBondContact CA-O 3.46Å; R196-I278 HydrophobicContact CB-CD1 4.08Å; R196-I278 HydrophobicContact CB-CG1 4.08Å
197A78.7Confident88.4Confident6 Ų683 Ų835%0.0538%0.381CS..EExtended strand (participates in β ladder)trans-140.5144.7-175.400000110I203 V248 V275 T276 V277 I278A197-I203 HydrophobicContact CB-CG2 3.76Å; A197-V248 HydrophobicContact CB-CB 4.14Å; A197-V248 HydrophobicContact CB-CG1 4.24Å; A197-V248 HydrophobicContact CB-CG2 3.76Å; A197-V275 HydrophobicContact CB-CG1 4.34Å; A197-T276 PolarHBondContact N-O 3.29Å; A197-V277 WeakPolarHBondContact O-CA 3.37Å; A197-I278 PolarHBondContact O-N 3.46Å
198D72.3Confident88.5Confident75 Ų7576.1 Ų76.140%0.40136%0.356SS..  trans-71.2150.4174.5-62.6-42.6000110.2G200 S201D198-G200 PolarHBondContact O-N 3.01Å; D198-S201 PolarHBondContact N-OG 1.99Å; D198-S201 WeakPolarHBondContact O-CB 2.73Å; D198-S201 PolarHBondContact O-N 3.45Å; D198-S201 VanDerWaalsContact O-N 3.1Å; D198-S201 PolarHBondContact O-OG 3.46Å
199Y77.8Confident88.5Confident168 Ų16874.8 Ų74.866%0.65935%0.349SS*.THydrogen-bonded Turntrans-55.7129.3172.2-178.7-86.7000110.4S201 T249Y199-S201 VanDerWaalsContact C-N 3.31Å; Y199-S201 PolarHBondContact O-N 2.92Å; Y199-T249 WeakPolarHBondContact CD2-O 3.43Å; Y199-T249 WeakPolarHBondContact CE2-O 3.37Å
200G73.9Confident88.5Confident43 Ų4372.3 Ų72.344%0.44334%0.337SS..THydrogen-bonded Turntrans81.2-2.1-179.800000115.3D198 T247 V248D198-G200 PolarHBondContact O-N 3.01Å; G200-T247 WeakPolarHBondContact O-CG2 3.44Å; G200-V248 PolarHBondContact N-O 3.02Å
201S77.8Confident88.4Confident35 Ų3565.5 Ų65.525%0.24531%0.312CS..  trans-76.8148.2178.266.10000112.6D198 Y199 T247 V248D198-S201 PolarHBondContact N-OG 1.99Å; D198-S201 WeakPolarHBondContact O-CB 2.73Å; D198-S201 PolarHBondContact O-N 3.45Å; D198-S201 VanDerWaalsContact O-N 3.1Å; D198-S201 PolarHBondContact O-OG 3.46Å; Y199-S201 VanDerWaalsContact C-N 3.31Å; Y199-S201 PolarHBondContact O-N 2.92Å; S201-T247 CarbonylContact O-C 3.47Å; S201-T247 WeakPolarHBondContact O-CA 3.42Å; S201-V248 PolarHBondContact O-N 3Å
202Q85.6Confident88.2Confident139 Ų13964.4 Ų64.465%0.6531%0.311SS*.EExtended strand (participates in β ladder)trans-91.2129.1173.1-167.8178.757.200110.1V246Q202-V246 WeakPolarHBondContact CA-O 3.32Å
203I89.1Confident88.1Confident18 Ų1866.4 Ų66.49%0.09232%0.324CS..EExtended strand (participates in β ladder)trans-120.3159176.965.7165.1000111.4A197 L205 K245 V246 V248 V275A197-I203 HydrophobicContact CB-CG2 3.76Å; I203-L205 HydrophobicContact CD1-CG 4.42Å; I203-K245 WeakPolarHBondContact O-CA 3.27Å; I203-V246 HydrophobicContact CD1-CG1 4.07Å; I203-V246 HydrophobicContact CG1-CG1 3.65Å; I203-V246 PolarHBondContact N-O 3.01Å; I203-V246 PolarHBondContact O-N 2.79Å; I203-V248 HydrophobicContact CB-CG2 4.29Å; I203-V248 HydrophobicContact CD1-CG2 3.64Å; I203-V248 HydrophobicContact CG1-CG2 3.59Å; I203-V248 HydrophobicContact CG2-CG2 3.79Å; I203-V275 HydrophobicContact CD1-CB 4.21Å; I203-V275 HydrophobicContact CD1-CG1 3.6Å; I203-V275 HydrophobicContact CD1-CG2 3.57Å
204T92.9Very high88.1Confident57 Ų5762.8 Ų62.835%0.3531%0.311SS..EExtended strand (participates in β ladder)trans-115.8139.8172.6620000111.3K195 L244 K245K195-T204 PolarHBondContact NZ-O 3.47Å; T204-L244 CarbonylContact C-O 3.53Å; T204-L244 VanDerWaalsContact CA-O 3.27Å; T204-L244 WeakPolarHBondContact CA-O 3.09Å; T204-K245 HydrophobicContact CG2-CG 4.01Å
205L94.4Very high88.3Confident3 Ų355.6 Ų55.62%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-126.5128.6173.9-64.9176.7000109P192 K195 I203 W219 V243 L244 Y254 V275P192-L205 HydrophobicContact CB-CB 4.21Å; P192-L205 HydrophobicContact CB-CD1 4.5Å; P192-L205 HydrophobicContact CB-CD2 4.14Å; K195-L205 HydrophobicContact CD-CD2 4.28Å; I203-L205 HydrophobicContact CD1-CG 4.42Å; L205-W219 HydrophobicContact CB-CH2 3.73Å; L205-W219 HydrophobicContact CB-CZ3 3.94Å; L205-W219 HydrophobicContact CD1-CZ3 4.39Å; L205-W219 WeakPolarHBondContact O-CZ2 3.36Å; L205-V243 CarbonylContact O-C 3.5Å; L205-V243 WeakPolarHBondContact O-CA 3.49Å; L205-L244 HydrophobicContact CB-CB 4.32Å; L205-L244 HydrophobicContact CD1-CD2 4.31Å; L205-L244 PolarHBondContact N-O 3.2Å; L205-L244 PolarHBondContact O-N 3.36Å; L205-Y254 HydrophobicContact CD1-CD1 4.41Å; L205-Y254 HydrophobicContact CD1-CD2 3.8Å; L205-Y254 HydrophobicContact CD1-CG 3.64Å; L205-V275 HydrophobicContact CD1-CG2 4.29Å
206E94.8Very high88.6Confident86 Ų8656 Ų5640%0.40229%0.287SS..EExtended strand (participates in β ladder)trans-100.6141.2-178.5-64.4180-168.800111R190 F191 P192 V243R190-E206 IonicContact NH1-OE2 3.95Å; R190-E206 PolarHBondContact NH1-OE2 2.74Å; R190-E206 VanDerWaalsContact NH1-OE2 3.15Å; F191-E206 CarbonylContact C-O 3.56Å; P192-E206 VanDerWaalsContact N-O 3.16Å; E206-V243 HydrophobicContact CG-CG2 4.33Å
207C95.9Very high89.1Confident0 Ų046.8 Ų46.80%025%0.254CS..EExtended strand (participates in β ladder)trans-144.3121.9170-1700000110.2L188 R190 I217 W219 S242 C256L188-C207 WeakPolarHBondContact CD2-SG 3.47Å; R190-C207 WeakPolarHBondContact O-CA 3.15Å; C207-I217 WeakPolarHBondContact O-CD1 3.48Å; C207-W219 HydrophobicContact CB-CH2 3.64Å; C207-W219 HydrophobicContact CB-CZ2 3.29Å; C207-S242 PolarHBondContact N-O 3.15Å; C207-S242 WeakPolarHBondContact O-CA 3.27Å; C207-S242 WeakPolarHBondContact O-CB 3.37Å; C207-S242 PolarHBondContact O-N 3.4Å; C207-C256 HydrophobicContact CB-CB 3.57Å; C207-C256 WeakPolarHBondContact CB-SG 3.39Å; C207-C256 WeakPolarHBondContact SG-CB 3.4Å; C207-C256 CovalentContact SG-SG 2.01Å; C207-C256 PolarHBondContact SG-SG 3.28Å
208N96.8Very high89.8Confident15 Ų1549.7 Ų49.78%0.0827%0.271CS..EExtended strand (participates in β ladder)trans-121.6132.8-180-56.7-3.1000108.6L188 L189 R190 V239 I240 L241L188-N208 CarbonylContact C-O 3.5Å; L188-N208 WeakPolarHBondContact CA-O 3.44Å; L189-N208 HydrophobicContact CB-CB 4.39Å; L189-N208 PolarHBondContact N-O 3.16Å; R190-N208 HydrophobicContact CB-CB 3.88Å; R190-N208 VanDerWaalsContact CD-ND2 3.32Å; R190-N208 WeakPolarHBondContact CD-ND2 3.5Å; R190-N208 HydrophobicContact CG-CB 4.24Å; R190-N208 PolarHBondContact N-O 2.92Å; R190-N208 PolarHBondContact O-N 2.64Å; N208-V239 HydrophobicContact CB-CG1 4.34Å; N208-I240 CarbonylContact C-O 3.45Å; N208-I240 VanDerWaalsContact CA-O 3.24Å; N208-I240 WeakPolarHBondContact CA-O 3.41Å; N208-L241 HydrophobicContact CB-CD2 3.86Å; N208-L241 WeakPolarHBondContact ND2-CD2 3.35Å
209A96.2Very high90.9Very high0 Ų046.7 Ų46.70%025%0.254CS..EExtended strand (participates in β ladder)trans-129.2152.218000000111.4R187 L188 P215 I217 V239 I240 A258R187-A209 CarbonylContact O-C 3.33Å; R187-A209 VanDerWaalsContact O-CA 3.3Å; R187-A209 WeakPolarHBondContact O-CA 3.3Å; L188-A209 HydrophobicContact CD2-CB 4.11Å; A209-P215 HydrophobicContact CB-CB 4.15Å; A209-P215 HydrophobicContact CB-CG 4.13Å; A209-I217 HydrophobicContact CB-CD1 4.12Å; A209-I217 HydrophobicContact CB-CG1 4.33Å; A209-V239 CarbonylContact O-C 3.5Å; A209-V239 WeakPolarHBondContact O-CA 3.41Å; A209-V239 WeakPolarHBondContact O-CG1 3.44Å; A209-I240 HydrophobicContact CB-CG2 3.8Å; A209-I240 PolarHBondContact N-O 3.36Å; A209-I240 WeakPolarHBondContact O-CG2 3.46Å; A209-I240 PolarHBondContact O-N 3.02Å; A209-A258 HydrophobicContact CB-CB 3.48Å; A209-A258 VanDerWaalsContact CB-CB 3.48Å
210T95.2Very high91.7Very high20 Ų2040.5 Ų40.512%0.12323%0.232CC..EExtended strand (participates in β ladder)trans-130.2157.5171-170.30000109.4A186 R187 L189 P215 N238A186-T210 CarbonylContact C-O 3.57Å; A186-T210 WeakPolarHBondContact CA-O 3.44Å; R187-T210 HydrophobicContact CB-CG2 4.17Å; R187-T210 PolarHBondContact N-O 3.04Å; R187-T210 PolarHBondContact O-N 3.01Å; L189-T210 HydrophobicContact CD1-CG2 4.02Å; L189-T210 HydrophobicContact CD2-CG2 3.92Å; L189-T210 HydrophobicContact CG-CG2 4Å; T210-P215 WeakPolarHBondContact O-CG 3.32Å; T210-N238 WeakPolarHBondContact CA-O 3.27Å; T210-N238 WeakPolarHBondContact CB-O 3.49Å; T210-N238 PolarHBondContact OG1-O 3.39Å
211G92Very high92.6Very high2 Ų240.4 Ų40.42%0.02122%0.22CC..EExtended strand (participates in β ladder)trans167.5166-178.800000110.1P213G211-P213 CarbonylContact C-O 3.43Å; G211-P213 CarbonylContact O-C 3.51Å
212N89.7Confident93.2Very high76 Ų7642.9 Ų42.941%0.40623%0.23SC..EExtended strand (participates in β ladder)trans-138.2106.3173.6-176.813.4000107.6V182 Q183 T184V182-N212 PolarHBondContact O-ND2 3.05Å; Q183-N212 CarbonylContact C-O 3.56Å; Q183-N212 VanDerWaalsContact CA-O 3.29Å; Q183-N212 WeakPolarHBondContact CA-O 3.47Å; Q183-N212 WeakPolarHBondContact CB-O 3.19Å; Q183-N212 WeakPolarHBondContact CG-O 3.32Å; T184-N212 PolarHBondContact N-O 3.13Å; T184-N212 CarbonylContact O-C 3.53Å; T184-N212 PolarHBondContact O-N 2.85Å; T184-N212 VanDerWaalsContact O-O 3.07Å; T184-N212 WeakPolarHBondContact OG1-CB 3.4Å; T184-N212 PolarHBondContact OG1-N 3.1Å
213P92.8Very high93.1Very high48 Ų4838.6 Ų38.631%0.31222%0.224SC..SBendcis-64.8158.15.7-23.937000114.1G211 N260 R261G211-P213 CarbonylContact C-O 3.43Å; G211-P213 CarbonylContact O-C 3.51Å; P213-N260 WeakPolarHBondContact O-CB 3.46Å; P213-N260 PolarHBondContact O-ND2 3.09Å; P213-R261 WeakPolarHBondContact CD-O 3.35Å; P213-R261 WeakPolarHBondContact CG-O 3.31Å
214I92.6Very high93.1Very high81 Ų8143.5 Ų43.542%0.41525%0.25SS..PPolyproline II helixtrans-55.5127.3179.5-64163.5000109L235 I240I214-L235 HydrophobicContact CD1-CD1 3.85Å; I214-L235 HydrophobicContact CD1-CD2 3.74Å; I214-L235 HydrophobicContact CD1-CG 4.45Å; I214-L235 HydrophobicContact CG1-CD1 4.37Å; I214-L235 HydrophobicContact CG2-CD1 3.88Å; I214-I240 HydrophobicContact CG2-CB 4.24Å
215P94.6Very high92.7Very high4 Ų445.6 Ų45.63%0.02626%0.263CS..PPolyproline II helixtrans-67.7148.7-178.5-1931.2000113.3A186 A209 T210 I240 A258 S259 N260A186-P215 HydrophobicContact CB-CB 4Å; A186-P215 HydrophobicContact CB-CG 3.8Å; A209-P215 HydrophobicContact CB-CB 4.15Å; A209-P215 HydrophobicContact CB-CG 4.13Å; T210-P215 WeakPolarHBondContact O-CG 3.32Å; P215-I240 HydrophobicContact CB-CG2 4.49Å; P215-I240 WeakPolarHBondContact O-CG2 3.38Å; P215-A258 HydrophobicContact CB-CB 4.18Å; P215-S259 CarbonylContact C-O 3.5Å; P215-S259 WeakPolarHBondContact CA-O 3.38Å; P215-N260 HydrophobicContact CB-CB 4.21Å; P215-N260 HydrophobicContact CG-CB 4.26Å
216T93.9Very high92.3Very high91 Ų9146.9 Ų46.956%0.55827%0.271SS*.EExtended strand (participates in β ladder)trans-88.6138.2164.453.60000109.7A258 S259T216-A258 CarbonylContact O-C 3.45Å; T216-A258 VanDerWaalsContact O-CA 3.31Å; T216-A258 WeakPolarHBondContact O-CA 3.27Å; T216-S259 PolarHBondContact N-O 2.88Å; T216-S259 PolarHBondContact O-N 3.32Å; T216-S259 PolarHBondContact OG1-O 3.42Å
217I94.6Very high91.1Very high16 Ų1647.8 Ų47.88%0.08229%0.287CS..EExtended strand (participates in β ladder)trans-104.4129.1176.9-67.6177.6000109.8C207 A209 I240 S242 C256 V257 A258C207-I217 WeakPolarHBondContact O-CD1 3.48Å; A209-I217 HydrophobicContact CB-CD1 4.12Å; A209-I217 HydrophobicContact CB-CG1 4.33Å; I217-I240 HydrophobicContact CD1-CG1 4.24Å; I217-I240 HydrophobicContact CD1-CG2 3.73Å; I217-I240 HydrophobicContact CG1-CG2 4.06Å; I217-S242 VanDerWaalsContact CD1-CB 3.49Å; I217-C256 VanDerWaalsContact CG2-SG 3.57Å; I217-V257 CarbonylContact C-O 3.4Å; I217-V257 WeakPolarHBondContact CA-O 3.38Å; I217-A258 HydrophobicContact CG1-CB 4.32Å
218T93.8Very high89.6Confident66 Ų6652.2 Ų52.241%0.40533%0.333SS..EExtended strand (participates in β ladder)trans-123.3128.6173.8-520000109.7L220 V257T218-L220 HydrophobicContact CG2-CD2 4.24Å; T218-V257 PolarHBondContact N-O 2.02Å; T218-V257 PolarHBondContact O-N 3.23Å
219W95.1Very high88.6Confident13 Ų1353 Ų535%0.04934%0.341CS..EExtended strand (participates in β ladder)trans-95.7137.1173.8-70.995.2000111.2P192 L205 C207 V226 S242 L244 T255 C256P192-W219 HydrophobicContact CB-CH2 4.13Å; P192-W219 HydrophobicContact CB-CZ3 4.04Å; P192-W219 HydrophobicContact CG-CH2 4.2Å; P192-W219 HydrophobicContact CG-CZ3 3.93Å; L205-W219 HydrophobicContact CB-CH2 3.73Å; L205-W219 HydrophobicContact CB-CZ3 3.94Å; L205-W219 HydrophobicContact CD1-CZ3 4.39Å; L205-W219 WeakPolarHBondContact O-CZ2 3.36Å; C207-W219 HydrophobicContact CB-CH2 3.64Å; C207-W219 HydrophobicContact CB-CZ2 3.29Å; W219-V226 HydrophobicContact CB-CG2 3.9Å; W219-S242 PolarHBondContact NE1-OG 3.26Å; W219-L244 HydrophobicContact CB-CD1 4.4Å; W219-L244 HydrophobicContact CB-CD2 4.17Å; W219-L244 HydrophobicContact CD2-CB 3.74Å; W219-L244 HydrophobicContact CD2-CD2 3.8Å; W219-L244 HydrophobicContact CD2-CG 4.29Å; W219-L244 HydrophobicContact CE3-CB 4.16Å; W219-L244 HydrophobicContact CE3-CD2 3.63Å; W219-L244 HydrophobicContact CG-CB 4.1Å; W219-L244 HydrophobicContact CG-CD1 4.32Å; W219-L244 HydrophobicContact CG-CD2 4.05Å; W219-L244 HydrophobicContact CG-CG 4.4Å; W219-L244 HydrophobicContact CH2-CB 4.32Å; W219-L244 HydrophobicContact CZ2-CB 3.93Å; W219-L244 HydrophobicContact CZ3-CB 4.42Å; W219-L244 HydrophobicContact CZ3-CD2 4.23Å; W219-T255 CarbonylContact C-O 3.58Å; W219-T255 WeakPolarHBondContact CA-O 3.44Å; W219-C256 HydrophobicContact CD2-CB 4.3Å; W219-C256 HydrophobicContact CE3-CB 3.97Å; W219-C256 HydrophobicContact CH2-CB 3.96Å; W219-C256 HydrophobicContact CZ2-CB 4.26Å; W219-C256 HydrophobicContact CZ3-CB 3.8Å
220L93.5Very high88.1Confident38 Ų3855.9 Ų55.920%0.19936%0.361CS..EExtended strand (participates in β ladder)trans-124.9138.7176.8-53.3173000110.7T218 N224 T225 Y254 T255 V257T218-L220 HydrophobicContact CG2-CD2 4.24Å; L220-N224 CarbonylContact C-O 3.51Å; L220-N224 WeakPolarHBondContact CA-O 3.37Å; L220-T225 HydrophobicContact CD2-CG2 4.29Å; L220-Y254 CarbonylContact O-C 3.45Å; L220-Y254 VanDerWaalsContact O-CA 3.29Å; L220-Y254 WeakPolarHBondContact O-CA 3.42Å; L220-T255 PolarHBondContact N-O 2.97Å; L220-T255 PolarHBondContact O-N 3.4Å; L220-V257 HydrophobicContact CD1-CG2 3.83Å; L220-V257 HydrophobicContact CG-CG2 4.36Å
221E93.1Very high87.9Confident41 Ų4158.2 Ų58.219%0.19238%0.375CS..EExtended strand (participates in β ladder)trans-108.6118169.3-177.6-177.6-130.700109.1G223 N224 V226 A252 Y254E221-G223 PolarHBondContact O-N 2.75Å; E221-N224 PolarHBondContact N-O 3.26Å; E221-N224 PolarHBondContact O-N 2.73Å; E221-V226 HydrophobicContact CB-CG2 4.05Å; E221-A252 HydrophobicContact CG-CB 3.77Å; E221-Y254 HydrophobicContact CB-CD1 4.15Å; E221-Y254 HydrophobicContact CB-CE1 3.86Å; E221-Y254 HydrophobicContact CG-CD1 4.35Å; E221-Y254 HydrophobicContact CG-CE1 3.77Å; E221-Y254 PolarHBondContact OE1-OH 3.32Å
222N89.9Confident87.8Confident86 Ų8662.4 Ų62.446%0.4640%0.395SS..THydrogen-bonded Turntrans51.729.4-177-61.5-35.8000113.8A252 L253N222-A252 WeakPolarHBondContact OD1-CA 3.45Å; N222-L253 PolarHBondContact N-O 3.44Å; N222-L253 PolarHBondContact OD1-N 3.48Å
223G85Confident88Confident50 Ų5063.5 Ų63.552%0.51540%0.397SS..THydrogen-bonded Turntrans93.4-10.8-178.600000115.4E221E221-G223 PolarHBondContact O-N 2.75Å
224N88.3Confident87.9Confident121 Ų12165.1 Ų65.165%0.64741%0.406SS*.EExtended strand (participates in β ladder)trans-101.6157.8178.7-62.9-38.5000111.5L220 E221 V226L220-N224 CarbonylContact C-O 3.51Å; L220-N224 WeakPolarHBondContact CA-O 3.37Å; E221-N224 PolarHBondContact N-O 3.26Å; E221-N224 PolarHBondContact O-N 2.73Å; N224-V226 PolarHBondContact O-N 3.14Å
225T84.7Confident87.9Confident100 Ų10065.8 Ų65.861%0.61341%0.41SS*.EExtended strand (participates in β ladder)trans-60.4131.3173.944.20000111.1L220 S227L220-T225 HydrophobicContact CD2-CG2 4.29Å; T225-S227 PolarHBondContact O-N 2.81Å
226V85.9Confident87.8Confident31 Ų3169.8 Ų69.819%0.18843%0.434CS..PPolyproline II helixtrans-62.7127.3-178.5-170.20000109.9W219 E221 N224 A229 L244 Y254W219-V226 HydrophobicContact CB-CG2 3.9Å; E221-V226 HydrophobicContact CB-CG2 4.05Å; N224-V226 PolarHBondContact O-N 3.14Å; V226-A229 HydrophobicContact CB-CB 4.39Å; V226-A229 HydrophobicContact CG1-CB 3.39Å; V226-L244 HydrophobicContact CG1-CD1 4.42Å; V226-L244 HydrophobicContact CG2-CD2 4.4Å; V226-Y254 HydrophobicContact CG2-CD1 4.47Å
227S69.6Low87.6Confident104 Ų10468.7 Ų68.773%0.72744%0.441SS*.SBendtrans-105.7130.7179.1-57.80000110.1T225T225-S227 PolarHBondContact O-N 2.81Å
228G64.9Low87.3Confident94 Ų9472.7 Ų72.797%0.96946%0.463SS*.SBendtrans75.918176.600000116
229A75Confident87.3Confident31 Ų3170.9 Ų70.926%0.25645%0.452SS..  trans-103.8152.7174.100000112V226 L244 V246V226-A229 HydrophobicContact CB-CB 4.39Å; V226-A229 HydrophobicContact CG1-CB 3.39Å; A229-L244 HydrophobicContact CB-CD1 3.55Å; A229-V246 HydrophobicContact CB-CB 4.26Å; A229-V246 HydrophobicContact CB-CG2 4.3Å
230S85.7Confident87.3Confident61 Ų6171.1 Ų71.143%0.42745%0.454SS..EExtended strand (participates in β ladder)trans-95.8127.3174.2172.40000109.3K245S230-K245 PolarHBondContact N-O 2.62Å; S230-K245 VanDerWaalsContact N-O 3.13Å; S230-K245 PolarHBondContact O-N 2.76Å
231V90.6Very high87.4Confident68 Ų6871.7 Ų71.741%0.41246%0.457SS..EExtended strand (participates in β ladder)trans-114122.1175-176.70000108E233 S242 V243 L244V231-E233 HydrophobicContact CG1-CG 3.93Å; V231-S242 WeakPolarHBondContact CG1-OG 3.47Å; V231-V243 WeakPolarHBondContact CA-O 3.14Å; V231-L244 HydrophobicContact CG2-CD1 3.77Å
232E91.3Very high87.5Confident91 Ų9169.8 Ų69.843%0.42545%0.448SS..EExtended strand (participates in β ladder)trans-106.1122174.9-70.8173.2-178.900109S242 V243 K245E232-S242 CarbonylContact O-C 3.57Å; E232-S242 WeakPolarHBondContact O-CA 3.25Å; E232-V243 PolarHBondContact N-O 3.37Å; E232-V243 PolarHBondContact O-N 3.44Å; E232-K245 IonicContact OE1-NZ 3.64Å; E232-K245 PolarHBondContact OE1-NZ 3.03Å; E232-K245 VanDerWaalsContact OE2-CE 3.25Å; E232-K245 WeakPolarHBondContact OE2-CE 3.49Å; E232-K245 IonicContact OE2-NZ 2.77Å; E232-K245 PolarHBondContact OE2-NZ 3.2Å
233E92.4Very high87.8Confident99 Ų9967.4 Ų67.446%0.46344%0.436SS..EExtended strand (participates in β ladder)trans-117140.1179.7-58.3-162140.800111.8V231 I240 L241 S242V231-E233 HydrophobicContact CG1-CG 3.93Å; E233-I240 HydrophobicContact CB-CD1 4.3Å; E233-L241 CarbonylContact C-O 3.47Å; E233-L241 WeakPolarHBondContact CA-O 3.15Å; E233-S242 PolarHBondContact OE1-OG 3.48Å
234T92.1Very high88.2Confident82 Ų8265 Ų6550%0.50341%0.412SS..EExtended strand (participates in β ladder)trans-143.4128.5178.9-52.20000110V236 L241T234-V236 HydrophobicContact CG2-CG2 4.21Å; T234-L241 PolarHBondContact N-O 3.06Å; T234-L241 WeakPolarHBondContact O-CB 3.31Å; T234-L241 PolarHBondContact O-N 3.41Å
235L93Very high88.4Confident94 Ų9462 Ų6249%0.49239%0.393SS..EExtended strand (participates in β ladder)trans-93.4121.4175.8-177.865.2000109.9I214 I240I214-L235 HydrophobicContact CD1-CD1 3.85Å; I214-L235 HydrophobicContact CD1-CD2 3.74Å; I214-L235 HydrophobicContact CD1-CG 4.45Å; I214-L235 HydrophobicContact CG1-CD1 4.37Å; I214-L235 HydrophobicContact CG2-CD1 3.88Å; L235-I240 HydrophobicContact CB-CD1 4.43Å
236V91.6Very high88.6Confident88 Ų8858 Ų5853%0.53337%0.368SS..EExtended strand (participates in β ladder)trans-123.6102.8175.2-175.70000108.6T234 N238 V239 L241T234-V236 HydrophobicContact CG2-CG2 4.21Å; V236-N238 PolarHBondContact O-N 3.16Å; V236-V239 PolarHBondContact N-O 3.18Å; V236-V239 PolarHBondContact O-N 3.14Å; V236-V239 VanDerWaalsContact O-N 3.1Å; V236-L241 HydrophobicContact CG2-CD1 3.78Å
237G89.4Confident88.6Confident69 Ų6959.8 Ų59.871%0.71138%0.379SS*.THydrogen-bonded Turntrans62.4-120.5-172.600000111.4
238N88Confident89.3Confident100 Ų10054.8 Ų54.854%0.53535%0.345SS..THydrogen-bonded Turntrans-99.816.8176.668.8-20.9000113.4T210 V236T210-N238 WeakPolarHBondContact CA-O 3.27Å; T210-N238 WeakPolarHBondContact CB-O 3.49Å; T210-N238 PolarHBondContact OG1-O 3.39Å; V236-N238 PolarHBondContact O-N 3.16Å
239V93.7Very high89.9Confident28 Ų2854 Ų5417%0.1732%0.321CS..EExtended strand (participates in β ladder)trans-116.2121.8-179.4-1760000109.6L189 N208 A209 V236 L241L189-V239 HydrophobicContact CD1-CG1 3.86Å; L189-V239 HydrophobicContact CD1-CG2 3.78Å; N208-V239 HydrophobicContact CB-CG1 4.34Å; A209-V239 CarbonylContact O-C 3.5Å; A209-V239 WeakPolarHBondContact O-CA 3.41Å; A209-V239 WeakPolarHBondContact O-CG1 3.44Å; V236-V239 PolarHBondContact N-O 3.18Å; V236-V239 PolarHBondContact O-N 3.14Å; V236-V239 VanDerWaalsContact O-N 3.1Å; V239-L241 HydrophobicContact CG1-CD2 3.85Å
240I95.6Very high90.1Very high17 Ų1757.9 Ų57.99%0.08733%0.332CS..EExtended strand (participates in β ladder)trans-89.1126168.9-17466.5000108.9N208 A209 I214 P215 I217 E233 L235N208-I240 CarbonylContact C-O 3.45Å; N208-I240 VanDerWaalsContact CA-O 3.24Å; N208-I240 WeakPolarHBondContact CA-O 3.41Å; A209-I240 HydrophobicContact CB-CG2 3.8Å; A209-I240 PolarHBondContact N-O 3.36Å; A209-I240 WeakPolarHBondContact O-CG2 3.46Å; A209-I240 PolarHBondContact O-N 3.02Å; I214-I240 HydrophobicContact CG2-CB 4.24Å; P215-I240 HydrophobicContact CB-CG2 4.49Å; P215-I240 WeakPolarHBondContact O-CG2 3.38Å; I217-I240 HydrophobicContact CD1-CG1 4.24Å; I217-I240 HydrophobicContact CD1-CG2 3.73Å; I217-I240 HydrophobicContact CG1-CG2 4.06Å; E233-I240 HydrophobicContact CB-CD1 4.3Å; L235-I240 HydrophobicContact CB-CD1 4.43Å
241L95.2Very high90.1Very high51 Ų5158 Ų5827%0.26733%0.332SS..EExtended strand (participates in β ladder)trans-103.8129.4175.4-49.5175.5000107.7N208 E233 T234 V236 V239N208-L241 HydrophobicContact CB-CD2 3.86Å; N208-L241 WeakPolarHBondContact ND2-CD2 3.35Å; E233-L241 CarbonylContact C-O 3.47Å; E233-L241 WeakPolarHBondContact CA-O 3.15Å; T234-L241 PolarHBondContact N-O 3.06Å; T234-L241 WeakPolarHBondContact O-CB 3.31Å; T234-L241 PolarHBondContact O-N 3.41Å; V236-L241 HydrophobicContact CG2-CD1 3.78Å; V239-L241 HydrophobicContact CG1-CD2 3.85Å
242S95.6Very high90Very high0 Ų054.8 Ų54.80%031%0.313CS..EExtended strand (participates in β ladder)trans-132.3126178.7-174.70000110.1C207 I217 W219 V231 E232 E233C207-S242 PolarHBondContact N-O 3.15Å; C207-S242 WeakPolarHBondContact O-CA 3.27Å; C207-S242 WeakPolarHBondContact O-CB 3.37Å; C207-S242 PolarHBondContact O-N 3.4Å; I217-S242 VanDerWaalsContact CD1-CB 3.49Å; W219-S242 PolarHBondContact NE1-OG 3.26Å; V231-S242 WeakPolarHBondContact CG1-OG 3.47Å; E232-S242 CarbonylContact O-C 3.57Å; E232-S242 WeakPolarHBondContact O-CA 3.25Å; E233-S242 PolarHBondContact OE1-OG 3.48Å
243V95.5Very high90.1Very high37 Ų3753.1 Ų53.122%0.22431%0.307CS..EExtended strand (participates in β ladder)trans-119.5115.5179.6-176.30000109.4L205 E206 V231 E232 K245L205-V243 CarbonylContact O-C 3.5Å; L205-V243 WeakPolarHBondContact O-CA 3.49Å; E206-V243 HydrophobicContact CG-CG2 4.33Å; V231-V243 WeakPolarHBondContact CA-O 3.14Å; E232-V243 PolarHBondContact N-O 3.37Å; E232-V243 PolarHBondContact O-N 3.44Å; V243-K245 HydrophobicContact CG1-CG 4.49Å
244L94.1Very high90.2Very high0 Ų048.5 Ų48.50%029%0.285CS..EExtended strand (participates in β ladder)trans-89.9121.2174176.469.9000110T204 L205 W219 V226 A229 V231 Y254T204-L244 CarbonylContact C-O 3.53Å; T204-L244 VanDerWaalsContact CA-O 3.27Å; T204-L244 WeakPolarHBondContact CA-O 3.09Å; L205-L244 HydrophobicContact CB-CB 4.32Å; L205-L244 HydrophobicContact CD1-CD2 4.31Å; L205-L244 PolarHBondContact N-O 3.2Å; L205-L244 PolarHBondContact O-N 3.36Å; W219-L244 HydrophobicContact CB-CD1 4.4Å; W219-L244 HydrophobicContact CB-CD2 4.17Å; W219-L244 HydrophobicContact CD2-CB 3.74Å; W219-L244 HydrophobicContact CD2-CD2 3.8Å; W219-L244 HydrophobicContact CD2-CG 4.29Å; W219-L244 HydrophobicContact CE3-CB 4.16Å; W219-L244 HydrophobicContact CE3-CD2 3.63Å; W219-L244 HydrophobicContact CG-CB 4.1Å; W219-L244 HydrophobicContact CG-CD1 4.32Å; W219-L244 HydrophobicContact CG-CD2 4.05Å; W219-L244 HydrophobicContact CG-CG 4.4Å; W219-L244 HydrophobicContact CH2-CB 4.32Å; W219-L244 HydrophobicContact CZ2-CB 3.93Å; W219-L244 HydrophobicContact CZ3-CB 4.42Å; W219-L244 HydrophobicContact CZ3-CD2 4.23Å; V226-L244 HydrophobicContact CG1-CD1 4.42Å; V226-L244 HydrophobicContact CG2-CD2 4.4Å; A229-L244 HydrophobicContact CB-CD1 3.55Å; V231-L244 HydrophobicContact CG2-CD1 3.77Å; L244-Y254 HydrophobicContact CD2-CD1 3.84Å; L244-Y254 HydrophobicContact CD2-CE1 4.36Å
245K92.3Very high90.4Very high58 Ų5845.2 Ų45.225%0.25227%0.265SS..EExtended strand (participates in β ladder)trans-105.9117.9171.8-56-175.7178.9165.50109.3I203 T204 S230 E232 V243I203-K245 WeakPolarHBondContact O-CA 3.27Å; T204-K245 HydrophobicContact CG2-CG 4.01Å; S230-K245 PolarHBondContact N-O 2.62Å; S230-K245 VanDerWaalsContact N-O 3.13Å; S230-K245 PolarHBondContact O-N 2.76Å; E232-K245 IonicContact OE1-NZ 3.64Å; E232-K245 PolarHBondContact OE1-NZ 3.03Å; E232-K245 VanDerWaalsContact OE2-CE 3.25Å; E232-K245 WeakPolarHBondContact OE2-CE 3.49Å; E232-K245 IonicContact OE2-NZ 2.77Å; E232-K245 PolarHBondContact OE2-NZ 3.2Å; V243-K245 HydrophobicContact CG1-CG 4.49Å
246V89.6Confident90.5Very high14 Ų1440.7 Ų40.79%0.08524%0.242CC..EExtended strand (participates in β ladder)trans-139143.1-174.966.50000111.8Q202 I203 A229 Y254Q202-V246 WeakPolarHBondContact CA-O 3.32Å; I203-V246 HydrophobicContact CD1-CG1 4.07Å; I203-V246 HydrophobicContact CG1-CG1 3.65Å; I203-V246 PolarHBondContact N-O 3.01Å; I203-V246 PolarHBondContact O-N 2.79Å; A229-V246 HydrophobicContact CB-CB 4.26Å; A229-V246 HydrophobicContact CB-CG2 4.3Å; V246-Y254 HydrophobicContact CG1-CE1 4.21Å; V246-Y254 HydrophobicContact CG1-CE2 4.36Å; V246-Y254 HydrophobicContact CG2-CE1 4.28Å
247T86.2Confident90.7Very high69 Ų6937.7 Ų37.742%0.42322%0.223SC..EExtended strand (participates in β ladder)trans-89.2124.7173.7-55.80000109.9G200 S201 T249G200-T247 WeakPolarHBondContact O-CG2 3.44Å; S201-T247 CarbonylContact O-C 3.47Å; S201-T247 WeakPolarHBondContact O-CA 3.42Å; T247-T249 PolarHBondContact O-N 3.42Å
248V82.9Confident91.1Very high0 Ų034.4 Ų34.40%019%0.189CC..  trans-86.4108-173.2-168.30000110.4A197 G200 S201 I203 V275 V277A197-V248 HydrophobicContact CB-CB 4.14Å; A197-V248 HydrophobicContact CB-CG1 4.24Å; A197-V248 HydrophobicContact CB-CG2 3.76Å; G200-V248 PolarHBondContact N-O 3.02Å; S201-V248 PolarHBondContact O-N 3Å; I203-V248 HydrophobicContact CB-CG2 4.29Å; I203-V248 HydrophobicContact CD1-CG2 3.64Å; I203-V248 HydrophobicContact CG1-CG2 3.59Å; I203-V248 HydrophobicContact CG2-CG2 3.79Å; V248-V275 HydrophobicContact CG1-CG1 3.81Å; V248-V275 HydrophobicContact CG2-CG1 3.9Å; V248-V277 HydrophobicContact CG1-CG2 3.51Å
249T78.8Confident91.3Very high76 Ų7631.2 Ų31.247%0.46618%0.175SC..SBendtrans-108.9-19.6175.856.60000113Y199 T247Y199-T249 WeakPolarHBondContact CD2-O 3.43Å; Y199-T249 WeakPolarHBondContact CE2-O 3.37Å; T247-T249 PolarHBondContact O-N 3.42Å
250K79.6Confident91.2Very high114 Ų11430.1 Ų30.150%0.49617%0.168SC..SBendtrans-150.6157.717962.1-174.6177.5-174.50110A252K250-A252 PolarHBondContact O-N 3.14Å
251S85.3Confident90.9Very high62 Ų6239.3 Ų39.343%0.43420%0.202SC..  trans-66.2128.9172.2-64.50000109.8V275 T276 V277S251-V275 CarbonylContact C-O 3.41Å; S251-V275 VanDerWaalsContact CA-O 3.27Å; S251-V275 WeakPolarHBondContact CA-O 3.24Å; S251-T276 WeakPolarHBondContact OG-CA 3.38Å; S251-V277 PolarHBondContact OG-N 2.84Å
252A88.5Confident90.4Very high1 Ų137.9 Ų37.91%0.00819%0.193CC..EExtended strand (participates in β ladder)trans-145.5156.7-17700000112.2E221 N222 K250 Y254 V275E221-A252 HydrophobicContact CG-CB 3.77Å; N222-A252 WeakPolarHBondContact OD1-CA 3.45Å; K250-A252 PolarHBondContact O-N 3.14Å; A252-Y254 HydrophobicContact CB-CE2 3.98Å; A252-V275 PolarHBondContact N-O 3.38Å; A252-V275 PolarHBondContact O-N 2.79Å
253L93.4Very high89.4Confident57 Ų5741.1 Ų41.130%0.29822%0.216SC..EExtended strand (participates in β ladder)trans-98.4106.5173.4-174.272.6000109.2N222 R274N222-L253 PolarHBondContact N-O 3.44Å; N222-L253 PolarHBondContact OD1-N 3.48Å; L253-R274 HydrophobicContact CD1-CB 4.41Å
254Y94.6Very high88.3Confident2 Ų240.9 Ų40.91%0.00822%0.221CC..EExtended strand (participates in β ladder)trans-89.4128.6175.3-67.4-80.3000110L205 L220 E221 V226 L244 V246 A252 S272 A273 V275L205-Y254 HydrophobicContact CD1-CD1 4.41Å; L205-Y254 HydrophobicContact CD1-CD2 3.8Å; L205-Y254 HydrophobicContact CD1-CG 3.64Å; L220-Y254 CarbonylContact O-C 3.45Å; L220-Y254 VanDerWaalsContact O-CA 3.29Å; L220-Y254 WeakPolarHBondContact O-CA 3.42Å; E221-Y254 HydrophobicContact CB-CD1 4.15Å; E221-Y254 HydrophobicContact CB-CE1 3.86Å; E221-Y254 HydrophobicContact CG-CD1 4.35Å; E221-Y254 HydrophobicContact CG-CE1 3.77Å; E221-Y254 PolarHBondContact OE1-OH 3.32Å; V226-Y254 HydrophobicContact CG2-CD1 4.47Å; L244-Y254 HydrophobicContact CD2-CD1 3.84Å; L244-Y254 HydrophobicContact CD2-CE1 4.36Å; V246-Y254 HydrophobicContact CG1-CE1 4.21Å; V246-Y254 HydrophobicContact CG1-CE2 4.36Å; V246-Y254 HydrophobicContact CG2-CE1 4.28Å; A252-Y254 HydrophobicContact CB-CE2 3.98Å; Y254-S272 CarbonylContact O-C 3.21Å; Y254-S272 WeakPolarHBondContact O-CA 3.43Å; Y254-A273 PolarHBondContact N-O 3.46Å; Y254-A273 PolarHBondContact O-N 3.23Å; Y254-V275 HydrophobicContact CD2-CB 3.94Å; Y254-V275 HydrophobicContact CD2-CG2 3.53Å; Y254-V275 HydrophobicContact CE2-CB 3.86Å; Y254-V275 HydrophobicContact CE2-CG1 4.45Å; Y254-V275 HydrophobicContact CE2-CG2 3.83Å
255T95.8Very high87.7Confident12 Ų1242.5 Ų42.57%0.07424%0.238CC..EExtended strand (participates in β ladder)trans-121.7122.7-179.5-55.40000109.6W219 L220 V257 K270 K271 S272W219-T255 CarbonylContact C-O 3.58Å; W219-T255 WeakPolarHBondContact CA-O 3.44Å; L220-T255 PolarHBondContact N-O 2.97Å; L220-T255 PolarHBondContact O-N 3.4Å; T255-V257 HydrophobicContact CG2-CG2 4.06Å; T255-K270 HydrophobicContact CG2-CB 3.97Å; T255-K271 WeakPolarHBondContact CA-O 3.49Å; T255-S272 WeakPolarHBondContact CB-OG 3.48Å; T255-S272 WeakPolarHBondContact CG2-OG 3.45Å; T255-S272 WeakPolarHBondContact OG1-CB 3.34Å; T255-S272 PolarHBondContact OG1-OG 3.21Å
256C95.8Very high87.2Confident0 Ų043.4 Ų43.40%026%0.256CS..EExtended strand (participates in β ladder)trans-88.6131.8165.11760000109P192 C207 I217 W219 K270 K271P192-C256 HydrophobicContact CG-CB 4.45Å; C207-C256 HydrophobicContact CB-CB 3.57Å; C207-C256 WeakPolarHBondContact CB-SG 3.39Å; C207-C256 WeakPolarHBondContact SG-CB 3.4Å; C207-C256 CovalentContact SG-SG 2.01Å; C207-C256 PolarHBondContact SG-SG 3.28Å; I217-C256 VanDerWaalsContact CG2-SG 3.57Å; W219-C256 HydrophobicContact CD2-CB 4.3Å; W219-C256 HydrophobicContact CE3-CB 3.97Å; W219-C256 HydrophobicContact CH2-CB 3.96Å; W219-C256 HydrophobicContact CZ2-CB 4.26Å; W219-C256 HydrophobicContact CZ3-CB 3.8Å; C256-K270 WeakPolarHBondContact O-CA 3.49Å; C256-K271 PolarHBondContact N-O 2.92Å; C256-K271 PolarHBondContact O-N 3.43Å
257V95.8Very high87.3Confident25 Ų2545 Ų4515%0.15226%0.264CS..EExtended strand (participates in β ladder)trans-119.1117.9174.2-174.10000107.9I217 T218 L220 T255 V269 K270I217-V257 CarbonylContact C-O 3.4Å; I217-V257 WeakPolarHBondContact CA-O 3.38Å; T218-V257 PolarHBondContact N-O 2.02Å; T218-V257 PolarHBondContact O-N 3.23Å; L220-V257 HydrophobicContact CD1-CG2 3.83Å; L220-V257 HydrophobicContact CG-CG2 4.36Å; T255-V257 HydrophobicContact CG2-CG2 4.06Å; V257-V269 WeakPolarHBondContact CA-O 2.96Å; V257-K270 HydrophobicContact CG2-CB 3.99Å
258A96.1Very high87.6Confident0 Ų046.7 Ų46.70%027%0.271CS..EExtended strand (participates in β ladder)trans-100.8127.1168.400000109.3A186 L188 A209 P215 T216 I217 N268 V269A186-A258 HydrophobicContact CB-CB 4.49Å; L188-A258 HydrophobicContact CD2-CB 3.77Å; A209-A258 HydrophobicContact CB-CB 3.48Å; A209-A258 VanDerWaalsContact CB-CB 3.48Å; P215-A258 HydrophobicContact CB-CB 4.18Å; T216-A258 CarbonylContact O-C 3.45Å; T216-A258 VanDerWaalsContact O-CA 3.31Å; T216-A258 WeakPolarHBondContact O-CA 3.27Å; I217-A258 HydrophobicContact CG1-CB 4.32Å; A258-N268 WeakPolarHBondContact O-CA 3.44Å; A258-V269 HydrophobicContact CB-CG2 3.93Å; A258-V269 PolarHBondContact N-O 3.12Å; A258-V269 PolarHBondContact O-N 3.17Å
259S92.9Very high88.2Confident32 Ų3248.6 Ų48.622%0.22428%0.282CS..EExtended strand (participates in β ladder)trans-123.8132-176.8-175.20000110.5P215 T216 N267 N268P215-S259 CarbonylContact C-O 3.5Å; P215-S259 WeakPolarHBondContact CA-O 3.38Å; T216-S259 PolarHBondContact N-O 2.88Å; T216-S259 PolarHBondContact O-N 3.32Å; T216-S259 PolarHBondContact OG1-O 3.42Å; S259-N267 WeakPolarHBondContact CA-O 3.42Å; S259-N268 WeakPolarHBondContact CB-OD1 3.33Å; S259-N268 PolarHBondContact OG-OD1 2.59Å
260N92.4Very high89Confident5 Ų552.4 Ų52.43%0.02729%0.292CS..EExtended strand (participates in β ladder)trans-136151.7165.379.9-25.5000111.8T184 A186 P213 P215 A266 N267T184-N260 PolarHBondContact O-ND2 2.03Å; A186-N260 HydrophobicContact CB-CB 4.16Å; A186-N260 WeakPolarHBondContact CB-OD1 3.44Å; A186-N260 VanDerWaalsContact N-CG 3.33Å; A186-N260 PolarHBondContact N-ND2 2.81Å; A186-N260 PolarHBondContact N-OD1 3.35Å; P213-N260 WeakPolarHBondContact O-CB 3.46Å; P213-N260 PolarHBondContact O-ND2 3.09Å; P215-N260 HydrophobicContact CB-CB 4.21Å; P215-N260 HydrophobicContact CG-CB 4.26Å; N260-A266 WeakPolarHBondContact O-CA 3.48Å; N260-N267 PolarHBondContact N-O 3.49Å; N260-N267 PolarHBondContact O-N 3.18Å
261R87.8Confident89.8Confident211 Ų21152.3 Ų52.380%0.79629%0.292SS*.EExtended strand (participates in β ladder)trans-111.7111.6-179.9-169.4177.4-173.8178.92109.2P213P213-R261 WeakPolarHBondContact CD-O 3.35Å; P213-R261 WeakPolarHBondContact CG-O 3.31Å
262H85.8Confident90.3Very high20 Ų2052 Ų529%0.09329%0.29CS..EExtended strand (participates in β ladder)trans-119.3178.5-178.954.761.8000111L107 Q183 G264 G265 N267L107-H262 HydrophobicContact CD1-CB 4.13Å; Q183-H262 HydrophobicContact CB-CB 4.2Å; Q183-H262 VanDerWaalsContact OE1-CB 3.28Å; H262-G264 VanDerWaalsContact C-N 3.27Å; H262-G264 PolarHBondContact ND1-N 3.19Å; H262-G264 PolarHBondContact O-N 2.77Å; H262-G265 PolarHBondContact CE1-O 3.23Å; H262-G265 VanDerWaalsContact CE1-O 3.3Å; H262-G265 PolarHBondContact N-O 2.9Å; H262-G265 PolarHBondContact ND1-N 3.43Å; H262-G265 PolarHBondContact ND1-O 3.23Å; H262-G265 VanDerWaalsContact ND1-O 3.09Å; H262-G265 PolarHBondContact O-N 3.19Å; H262-N267 WeakPolarHBondContact NE2-CB 3.18Å
263S74.8Confident90.5Very high68 Ų6852 Ų5248%0.47629%0.29SS..THydrogen-bonded Turntrans-60.4-33.9-176.756.50000113.3T105 G265T105-S263 PolarHBondContact O-OG 3.45Å; S263-G265 PolarHBondContact O-N 3.27Å
264G71.5Confident90.5Very high32 Ų3255.5 Ų55.533%0.3330%0.299SS..THydrogen-bonded Turntrans-80.818.1171.400000115.8H262H262-G264 VanDerWaalsContact C-N 3.27Å; H262-G264 PolarHBondContact ND1-N 3.19Å; H262-G264 PolarHBondContact O-N 2.77Å
265G82.8Confident90.3Very high35 Ų3555.4 Ų55.436%0.36130%0.299SS..EExtended strand (participates in β ladder)trans105-166.8179.200000115.3H262 S263H262-G265 PolarHBondContact CE1-O 3.23Å; H262-G265 VanDerWaalsContact CE1-O 3.3Å; H262-G265 PolarHBondContact N-O 2.9Å; H262-G265 PolarHBondContact ND1-N 3.43Å; H262-G265 PolarHBondContact ND1-O 3.23Å; H262-G265 VanDerWaalsContact ND1-O 3.09Å; H262-G265 PolarHBondContact O-N 3.19Å; S263-G265 PolarHBondContact O-N 3.27Å
266A81.3Confident89.8Confident76 Ų7656.7 Ų56.763%0.62831%0.307SS*.EExtended strand (participates in β ladder)trans-92.3131.7176.600000110.5N260N260-A266 WeakPolarHBondContact O-CA 3.48Å
267N91.2Very high89Confident48 Ų4858.1 Ų58.126%0.25732%0.315SS..EExtended strand (participates in β ladder)trans-112.9128.9174.3-179.2-99.2000110.5P185 A186 S259 N260 H262P185-N267 HydrophobicContact CB-CB 4.2Å; A186-N267 PolarHBondContact N-OD1 3.43Å; A186-N267 PolarHBondContact O-OD1 3.42Å; S259-N267 WeakPolarHBondContact CA-O 3.42Å; N260-N267 PolarHBondContact N-O 3.49Å; N260-N267 PolarHBondContact O-N 3.18Å; H262-N267 WeakPolarHBondContact NE2-CB 3.18Å
268N92.6Very high87.5Confident104 Ų10459.8 Ų59.856%0.55632%0.322SS*.EExtended strand (participates in β ladder)trans-122.1120.7177.3-64.7-19.9000109.3A258 S259A258-N268 WeakPolarHBondContact O-CA 3.44Å; S259-N268 WeakPolarHBondContact CB-OD1 3.33Å; S259-N268 PolarHBondContact OG-OD1 2.59Å
269V95.2Very high85.2Confident40 Ų4064 Ų6424%0.24235%0.345CS..EExtended strand (participates in β ladder)trans-114.7131.5173.2-70.80000109.6A186 L188 V257 A258A186-V269 HydrophobicContact CB-CG2 3.99Å; A186-V269 WeakPolarHBondContact O-CG1 3.45Å; A186-V269 WeakPolarHBondContact O-CG2 3.29Å; L188-V269 HydrophobicContact CD1-CG2 4.4Å; L188-V269 HydrophobicContact CD2-CG2 4.48Å; L188-V269 HydrophobicContact CG-CB 4.43Å; L188-V269 HydrophobicContact CG-CG2 3.85Å; V257-V269 WeakPolarHBondContact CA-O 2.96Å; A258-V269 HydrophobicContact CB-CG2 3.93Å; A258-V269 PolarHBondContact N-O 3.12Å; A258-V269 PolarHBondContact O-N 3.17Å
270K95.3Very high83Confident156 Ų15666 Ų6668%0.67835%0.348SS*.EExtended strand (participates in β ladder)trans-130.3143-177.166.5-176.5178.8-176.90112.8T255 C256 V257T255-K270 HydrophobicContact CG2-CB 3.97Å; C256-K270 WeakPolarHBondContact O-CA 3.49Å; V257-K270 HydrophobicContact CG2-CB 3.99Å
271K96.9Very high80.7Confident112 Ų11269.6 Ų69.649%0.48737%0.373SS..EExtended strand (participates in β ladder)trans-137.6140.3169.9-80.6-67.3-176.5179.30110.1L188 F191 T255 C256L188-K271 HydrophobicContact CD1-CB 3.88Å; L188-K271 HydrophobicContact CD1-CG 3.74Å; F191-K271 HydrophobicContact CB-CB 3.7Å; F191-K271 HydrophobicContact CB-CG 4.01Å; F191-K271 HydrophobicContact CG-CB 4.3Å; F191-K271 HydrophobicContact CG-CG 4.16Å; T255-K271 WeakPolarHBondContact CA-O 3.49Å; C256-K271 PolarHBondContact N-O 2.92Å; C256-K271 PolarHBondContact O-N 3.43Å
272S95.3Very high78.4Confident56 Ų5664.8 Ų64.839%0.39236%0.363SS..EExtended strand (participates in β ladder)trans-119.5147.8-175.6-49.10000110.9Y254 T255Y254-S272 CarbonylContact O-C 3.21Å; Y254-S272 WeakPolarHBondContact O-CA 3.43Å; T255-S272 WeakPolarHBondContact CB-OG 3.48Å; T255-S272 WeakPolarHBondContact CG2-OG 3.45Å; T255-S272 WeakPolarHBondContact OG1-CB 3.34Å; T255-S272 PolarHBondContact OG1-OG 3.21Å
273A93.8Very high76.5Confident1 Ų168 Ų681%0.00838%0.38CS..EExtended strand (participates in β ladder)trans-130.4135.9170.700000109.8P192 K193 Y254P192-A273 HydrophobicContact CB-CB 3.72Å; P192-A273 HydrophobicContact CG-CB 4.13Å; K193-A273 VanDerWaalsContact C-CB 3.43Å; K193-A273 WeakPolarHBondContact O-CB 3.42Å; Y254-A273 PolarHBondContact N-O 3.46Å; Y254-A273 PolarHBondContact O-N 3.23Å
274R92.3Very high75.1Confident131 Ų13167 Ų6749%0.49437%0.368SS..EExtended strand (participates in β ladder)trans-82.2125.9171.8-168.4177.1-65.8-82.20109.1E194 K195 L253 T276E194-R274 WeakPolarHBondContact CA-O 3.41Å; K195-R274 PolarHBondContact N-O 3.41Å; L253-R274 HydrophobicContact CD1-CB 4.41Å; R274-T276 HydrophobicContact CG-CG2 3.87Å
275V90.5Very high73.6Confident0 Ų074.2 Ų74.20%039%0.39CS..EExtended strand (participates in β ladder)trans-103.5116.8167.2175.30000106.9K195 A197 I203 L205 V248 S251 A252 Y254K195-V275 VanDerWaalsContact O-CA 3.31Å; K195-V275 WeakPolarHBondContact O-CA 3.49Å; A197-V275 HydrophobicContact CB-CG1 4.34Å; I203-V275 HydrophobicContact CD1-CB 4.21Å; I203-V275 HydrophobicContact CD1-CG1 3.6Å; I203-V275 HydrophobicContact CD1-CG2 3.57Å; L205-V275 HydrophobicContact CD1-CG2 4.29Å; V248-V275 HydrophobicContact CG1-CG1 3.81Å; V248-V275 HydrophobicContact CG2-CG1 3.9Å; S251-V275 CarbonylContact C-O 3.41Å; S251-V275 VanDerWaalsContact CA-O 3.27Å; S251-V275 WeakPolarHBondContact CA-O 3.24Å; A252-V275 PolarHBondContact N-O 3.38Å; A252-V275 PolarHBondContact O-N 2.79Å; Y254-V275 HydrophobicContact CD2-CB 3.94Å; Y254-V275 HydrophobicContact CD2-CG2 3.53Å; Y254-V275 HydrophobicContact CE2-CB 3.86Å; Y254-V275 HydrophobicContact CE2-CG1 4.45Å; Y254-V275 HydrophobicContact CE2-CG2 3.83Å
276T85Confident71.9Confident39 Ų3976 Ų7624%0.23941%0.409CS..EExtended strand (participates in β ladder)trans-105128.5-18056.20000110.3K195 R196 A197 S251 R274K195-T276 PolarHBondContact O-N 3.36Å; R196-T276 WeakPolarHBondContact CA-O 3.46Å; A197-T276 PolarHBondContact N-O 3.29Å; S251-T276 WeakPolarHBondContact OG-CA 3.38Å; R274-T276 HydrophobicContact CG-CG2 3.87Å
277V79.4Confident70.6Confident30 Ų3073.5 Ų73.518%0.18238%0.384CS..EExtended strand (participates in β ladder)trans-70.6131.5167.3176.50000108.6A197 V248 S251 D279A197-V277 WeakPolarHBondContact O-CA 3.37Å; V248-V277 HydrophobicContact CG1-CG2 3.51Å; S251-V277 PolarHBondContact OG-N 2.84Å; V277-D279 PolarHBondContact O-N 3.3Å
278I64.9Low69Low59 Ų5975.7 Ų75.730%0.30340%0.399SS..  trans-74.2106.6173-60.3171.8000108R196 A197R196-I278 HydrophobicContact CB-CD1 4.08Å; R196-I278 HydrophobicContact CB-CG1 4.08Å; A197-I278 PolarHBondContact O-N 3.46Å
279D48.6Very low67.9Low88 Ų8871.3 Ų71.347%0.47138%0.379SS..  trans-94.9111.3172.1-176.5-6.6000109.7V277 S281 L282V277-D279 PolarHBondContact O-N 3.3Å; D279-S281 PolarHBondContact O-N 3.32Å; D279-S281 VanDerWaalsContact OD1-CB 3.31Å; D279-S281 WeakPolarHBondContact OD1-CB 3.22Å; D279-S281 PolarHBondContact OD1-N 2.76Å; D279-S281 PolarHBondContact OD1-OG 2.96Å; D279-S281 PolarHBondContact OD2-OG 3.06Å; D279-S281 VanDerWaalsContact OD2-OG 3.05Å; D279-L282 HydrophobicContact CB-CD1 4.35Å; D279-L282 PolarHBondContact O-N 2.97Å
280W46.7Very low66.7Low76 Ų7673.1 Ų73.129%0.28838%0.382SS..G310 helixtrans-66.9-16.4-178-80.386000113.8L282 I283 A418 P420W280-L282 VanDerWaalsContact C-N 3.3Å; W280-L282 PolarHBondContact O-N 3.13Å; W280-I283 HydrophobicContact CD2-CD1 4.01Å; W280-I283 HydrophobicContact CE3-CD1 3.48Å; W280-I283 VanDerWaalsContact CE3-CD1 3.48Å; W280-I283 HydrophobicContact CH2-CD1 4.11Å; W280-I283 HydrophobicContact CZ3-CD1 3.55Å; W280-A418 HydrophobicContact CH2-CB 4.35Å; W280-A418 WeakPolarHBondContact CH2-O 3.36Å; W280-A418 WeakPolarHBondContact CZ2-O 3.49Å; W280-A418 WeakPolarHBondContact CZ3-O 3.29Å; W280-P420 HydrophobicContact CB-CB 4.24Å; W280-P420 HydrophobicContact CB-CG 4.49Å; W280-P420 HydrophobicContact CD2-CB 4Å; W280-P420 HydrophobicContact CD2-CG 4.04Å; W280-P420 HydrophobicContact CE3-CG 4.14Å; W280-P420 HydrophobicContact CG-CB 3.78Å; W280-P420 HydrophobicContact CG-CG 4.18Å
281S42.4Very low65.8Low79 Ų7967.4 Ų67.455%0.55236%0.362SS*.G310 helixtrans-71-22.6178.870.10000113.7D279D279-S281 PolarHBondContact O-N 3.32Å; D279-S281 VanDerWaalsContact OD1-CB 3.31Å; D279-S281 WeakPolarHBondContact OD1-CB 3.22Å; D279-S281 PolarHBondContact OD1-N 2.76Å; D279-S281 PolarHBondContact OD1-OG 2.96Å; D279-S281 PolarHBondContact OD2-OG 3.06Å; D279-S281 VanDerWaalsContact OD2-OG 3.05Å
282L40Very low64.8Low111 Ų11164.1 Ų64.158%0.58135%0.353SS*.G310 helixtrans-85.3-10.7-176.8-72.3167.7000114.2D279 W280 H284 K285D279-L282 HydrophobicContact CB-CD1 4.35Å; D279-L282 PolarHBondContact O-N 2.97Å; W280-L282 VanDerWaalsContact C-N 3.3Å; W280-L282 PolarHBondContact O-N 3.13Å; L282-H284 VanDerWaalsContact C-N 3.27Å; L282-H284 PolarHBondContact O-N 2.88Å; L282-K285 HydrophobicContact CD2-CD 4.43Å
283I46.3Very low64Low88 Ų8863.5 Ų63.545%0.45135%0.351SS..G310 helixtrans-72.2-21.5-179.3-63.6170.4000111.8W280W280-I283 HydrophobicContact CD2-CD1 4.01Å; W280-I283 HydrophobicContact CE3-CD1 3.48Å; W280-I283 VanDerWaalsContact CE3-CD1 3.48Å; W280-I283 HydrophobicContact CH2-CD1 4.11Å; W280-I283 HydrophobicContact CZ3-CD1 3.55Å
284H44.8Very low63.3Low47 Ų4764.8 Ų64.822%0.21836%0.356CS..G310 helixtrans-102.42.5-174.4-59.187.4000114.2L282 G286L282-H284 VanDerWaalsContact C-N 3.27Å; L282-H284 PolarHBondContact O-N 2.88Å; H284-G286 PolarHBondContact O-N 3.01Å
285K41.1Very low62.5Low182 Ų18266.3 Ų66.379%0.79136%0.361SS*.THydrogen-bonded Turntrans-79.787.5-179.7-123-178.7-177.3178.20109.9L282L282-K285 HydrophobicContact CD2-CD 4.43Å
286G47.1Very low61.7Low74 Ų7466.6 Ų66.676%0.76337%0.365SS*.THydrogen-bonded Turntrans149.9-3.7175.100000116.3H284H284-G286 PolarHBondContact O-N 3.01Å
287I52.9Low61.2Low23 Ų2369.9 Ų69.912%0.11838%0.381CS..  trans-90.8117.2178-53.7177.3000108.6F310 L400 V403I287-F310 HydrophobicContact CG2-CE1 3.89Å; I287-F310 HydrophobicContact CG2-CZ 3.9Å; I287-L400 HydrophobicContact CD1-CD2 3.76Å; I287-V403 HydrophobicContact CD1-CG2 4.09Å; I287-V403 HydrophobicContact CG1-CG2 4.09Å
288T58.1Low60.9Low93 Ų9369.3 Ų69.357%0.57138%0.379SS*.  trans-90.6135.2171.251.40000110N312 S313T288-N312 PolarHBondContact O-OD1 2.79Å; T288-S313 VanDerWaalsContact C-OG 3.3Å; T288-S313 WeakPolarHBondContact CB-OG 3.47Å; T288-S313 PolarHBondContact O-N 3.04Å; T288-S313 PolarHBondContact O-OG 3.1Å; T288-S313 PolarHBondContact OG1-OG 3.39Å; T288-S313 VanDerWaalsContact OG1-OG 3.11Å
289G68.6Low61.6Low13 Ų1366.5 Ų66.513%0.13437%0.365CS..EExtended strand (participates in β ladder)trans-167.4-177.1-17800000113.3F311 S362G289-F311 CarbonylContact C-O 3.59Å; G289-F311 WeakPolarHBondContact CA-O 3.3Å; G289-S362 WeakPolarHBondContact O-CB 3.39Å
290Y70.6Confident63Low77 Ų7767.6 Ų67.630%0.30236%0.362SS..EExtended strand (participates in β ladder)trans-135.9161.2179.965.8-87.3000110.5F311 P318Y290-F311 HydrophobicContact CD1-CB 4.3Å; Y290-F311 HydrophobicContact CD2-CB 4.34Å; Y290-F311 HydrophobicContact CD2-CD2 4.47Å; Y290-F311 HydrophobicContact CE1-CB 3.81Å; Y290-F311 HydrophobicContact CE2-CB 3.85Å; Y290-F311 AromaticContact CE2-CD2 3.93Å; Y290-F311 HydrophobicContact CE2-CD2 3.93Å; Y290-F311 HydrophobicContact CE2-CG 4.1Å; Y290-F311 PolarHBondContact N-O 2.81Å; Y290-F311 PolarHBondContact O-N 3.3Å; Y290-P318 VanDerWaalsContact OH-CB 3.27Å; Y290-P318 WeakPolarHBondContact OH-CB 3.42Å; Y290-P318 VanDerWaalsContact OH-CG 3.25Å; Y290-P318 WeakPolarHBondContact OH-CG 3.38Å
291C77Confident64.3Low37 Ų3769.9 Ų69.925%0.2539%0.385CS..EExtended strand (participates in β ladder)trans-113.7124-174.8-530000109.1V309 C356C291-V309 WeakPolarHBondContact CA-O 3.37Å; C291-C356 HydrophobicContact CB-CB 3.55Å; C291-C356 WeakPolarHBondContact CB-SG 3.34Å; C291-C356 WeakPolarHBondContact SG-CB 3.47Å; C291-C356 CovalentContact SG-SG 1.99Å; C291-C356 PolarHBondContact SG-SG 2.88Å
292S75.9Confident65.8Low43 Ų4367.4 Ų67.430%0.30137%0.365SS..EExtended strand (participates in β ladder)trans-141.9158.5-176178.40000109.8V309S292-V309 PolarHBondContact N-O 3.12Å; S292-V309 WeakPolarHBondContact O-CG2 3.36Å; S292-V309 PolarHBondContact O-N 3.45Å
293A78.8Confident67.5Low42 Ų4262.6 Ų62.635%0.34734%0.34SS..EExtended strand (participates in β ladder)trans-65.3141.5169.600000109.9
294Y77.4Confident68.5Low29 Ų2966.2 Ų66.211%0.11435%0.348CS..  trans-75.4131.3169.9-180-97.7000109.6G296 C299 L303 Q322 F353Y294-G296 WeakPolarHBondContact CE1-O 3.43Å; Y294-C299 HydrophobicContact CD1-CB 4.39Å; Y294-C299 HydrophobicContact CE1-CB 3.63Å; Y294-C299 HydrophobicContact CE2-CB 4.35Å; Y294-C299 PolarHBondContact OH-N 3.43Å; Y294-L303 HydrophobicContact CD1-CD1 3.84Å; Y294-L303 HydrophobicContact CD2-CD1 4.1Å; Y294-L303 HydrophobicContact CE1-CD1 4.38Å; Y294-L303 HydrophobicContact CG-CD1 3.68Å; Y294-Q322 HydrophobicContact CD2-CG 4.41Å; Y294-Q322 HydrophobicContact CE2-CB 4.34Å; Y294-Q322 HydrophobicContact CE2-CG 4.3Å; Y294-F353 HydrophobicContact CD2-CD1 4.27Å; Y294-F353 HydrophobicContact CD2-CD2 4.26Å; Y294-F353 HydrophobicContact CD2-CE1 4.32Å; Y294-F353 HydrophobicContact CD2-CE2 4.32Å; Y294-F353 HydrophobicContact CD2-CG 4.24Å; Y294-F353 HydrophobicContact CD2-CZ 4.35Å; Y294-F353 HydrophobicContact CE2-CD2 4.06Å; Y294-F353 HydrophobicContact CE2-CE1 4.19Å; Y294-F353 AromaticContact CE2-CE2 3.71Å; Y294-F353 HydrophobicContact CE2-CE2 3.71Å; Y294-F353 HydrophobicContact CE2-CG 4.44Å; Y294-F353 AromaticContact CE2-CZ 3.79Å; Y294-F353 HydrophobicContact CE2-CZ 3.79Å
295R76.3Confident69.1Low162 Ų16270.8 Ų70.861%0.61137%0.374SS*.  trans-117.3-10.6-177.7-69.5-173.3174.3176.6-3.8114.3R300 E319R295-R300 PolarHBondContact O-NH2 3.05Å; R295-E319 IonicContact CZ-OE1 2.74Å; R295-E319 IonicContact NH1-OE1 3.37Å; R295-E319 PolarHBondContact NH1-OE1 3.03Å
296G73.4Confident70.2Confident7 Ų769.9 Ų69.97%0.07238%0.378CS..  trans-60.4161.2177.700000113.6Y294 R300 Q322Y294-G296 WeakPolarHBondContact CE1-O 3.43Å; G296-R300 PolarHBondContact O-NE 3.03Å; G296-R300 PolarHBondContact O-NH2 2.69Å; G296-Q322 VanDerWaalsContact N-OE1 3.15Å
297D74.6Confident71.2Confident107 Ų10767.4 Ų67.457%0.57235%0.349SS*.SBendtrans-83.4-36-178.2-73.5-45.8000111.5R300 E323D297-R300 WeakPolarHBondContact O-CB 3.46Å; D297-R300 PolarHBondContact O-N 3.42Å; D297-R300 IonicContact OD1-CZ 3.67Å; D297-R300 IonicContact OD1-NH1 2.68Å; D297-R300 PolarHBondContact OD1-NH1 3.01Å; D297-R300 IonicContact OD1-NH2 2.67Å; D297-R300 PolarHBondContact OD1-NH2 3.26Å; D297-E323 PolarHBondContact N-OE2 2.95Å
298A73.6Confident72.3Confident18 Ų1869.2 Ų69.215%0.14936%0.359CS..THydrogen-bonded Turntrans-73.8-36.7-165.800000115.8V326 L330A298-V326 HydrophobicContact CB-CB 4.22Å; A298-V326 HydrophobicContact CB-CG1 3.11Å; A298-L330 HydrophobicContact CB-CD1 4.01Å
299C78.9Confident73.3Confident0 Ų064.8 Ų64.80%033%0.332CS..THydrogen-bonded Turntrans-98.73.9176-69.10000113.5Y294 T301 N302 L303 C349Y294-C299 HydrophobicContact CD1-CB 4.39Å; Y294-C299 HydrophobicContact CE1-CB 3.63Å; Y294-C299 HydrophobicContact CE2-CB 4.35Å; Y294-C299 PolarHBondContact OH-N 3.43Å; C299-T301 VanDerWaalsContact C-N 3.28Å; C299-T301 PolarHBondContact O-N 2.97Å; C299-N302 PolarHBondContact O-N 3.28Å; C299-N302 VanDerWaalsContact O-N 3.11Å; C299-L303 HydrophobicContact CB-CD1 3.82Å; C299-L303 HydrophobicContact CB-CG 4.12Å; C299-L303 WeakPolarHBondContact O-CG 3.38Å; C299-L303 PolarHBondContact O-N 3.47Å; C299-C349 VanDerWaalsContact CA-SG 3.51Å; C299-C349 HydrophobicContact CB-CB 3.64Å; C299-C349 WeakPolarHBondContact CB-SG 3.35Å; C299-C349 VanDerWaalsContact SG-CA 3.58Å; C299-C349 WeakPolarHBondContact SG-CB 3.43Å; C299-C349 CovalentContact SG-SG 2.03Å; C299-C349 PolarHBondContact SG-SG 2.83Å
300R77.9Confident73.6Confident111 Ų11164.5 Ų64.542%0.41933%0.327SS..THydrogen-bonded Turntrans-59.6-37.1-173.1-170.8177.1-65.9145.72.6113R295 G296 D297 N302 L303R295-R300 PolarHBondContact O-NH2 3.05Å; G296-R300 PolarHBondContact O-NE 3.03Å; G296-R300 PolarHBondContact O-NH2 2.69Å; D297-R300 WeakPolarHBondContact O-CB 3.46Å; D297-R300 PolarHBondContact O-N 3.42Å; D297-R300 IonicContact OD1-CZ 3.67Å; D297-R300 IonicContact OD1-NH1 2.68Å; D297-R300 PolarHBondContact OD1-NH1 3.01Å; D297-R300 IonicContact OD1-NH2 2.67Å; D297-R300 PolarHBondContact OD1-NH2 3.26Å; R300-N302 VanDerWaalsContact C-N 3.34Å; R300-L303 VanDerWaalsContact O-O 3.14Å
301T74.1Confident73.6Confident124 Ų12461.5 Ų61.576%0.76132%0.315SS*.THydrogen-bonded Turntrans-81-14.1-178.3540000113.5C299C299-T301 VanDerWaalsContact C-N 3.28Å; C299-T301 PolarHBondContact O-N 2.97Å
302N74.2Confident73.1Confident28 Ų2860.7 Ų60.715%0.1531%0.308CS..THydrogen-bonded Turntrans-102.5-32.3-178.9-66.1111.3000112.9C299 R300 C349 H350C299-N302 PolarHBondContact O-N 3.28Å; C299-N302 VanDerWaalsContact O-N 3.11Å; R300-N302 VanDerWaalsContact C-N 3.34Å; N302-C349 HydrophobicContact CB-CB 4.31Å; N302-H350 PolarHBondContact O-NE2 3.04Å; N302-H350 VanDerWaalsContact O-NE2 3.1Å
303L75.4Confident72.3Confident9 Ų961.6 Ų61.65%0.04731%0.314CS..SBendtrans-85.5148.1173.5-57.6175.6000109.2Y294 C299 R300 V309 C349 F353Y294-L303 HydrophobicContact CD1-CD1 3.84Å; Y294-L303 HydrophobicContact CD2-CD1 4.1Å; Y294-L303 HydrophobicContact CE1-CD1 4.38Å; Y294-L303 HydrophobicContact CG-CD1 3.68Å; C299-L303 HydrophobicContact CB-CD1 3.82Å; C299-L303 HydrophobicContact CB-CG 4.12Å; C299-L303 WeakPolarHBondContact O-CG 3.38Å; C299-L303 PolarHBondContact O-N 3.47Å; R300-L303 VanDerWaalsContact O-O 3.14Å; L303-V309 HydrophobicContact CD1-CG1 4.41Å; L303-C349 HydrophobicContact CD2-CB 4.39Å; L303-F353 HydrophobicContact CD1-CB 4.09Å; L303-F353 HydrophobicContact CD1-CD2 4.34Å; L303-F353 HydrophobicContact CD1-CG 4.49Å
304R67.2Low71.2Confident164 Ų16464 Ų6462%0.61933%0.329SS*.  trans-72.3136.9-179.9-62.3-179.3179.1-170.2-0.2109.4D306 S307R304-D306 PolarHBondContact O-N 3.2Å; R304-S307 PolarHBondContact N-OG 3.44Å; R304-S307 PolarHBondContact O-N 3.22Å; R304-S307 PolarHBondContact O-OG 3.45Å
305D59.1Low70.2Confident143 Ų14365.7 Ų65.777%0.76534%0.339SS*.THydrogen-bonded Turntrans-53-25.8-175-72.3-38.6000114.4
306D62.9Low68.9Low164 Ų16464 Ų6488%0.87735%0.353SS*.THydrogen-bonded Turntrans-11110.6179.8-64.5-39.2000114.6R304R304-D306 PolarHBondContact O-N 3.2Å
307S67.9Low68.2Low22 Ų2267.6 Ų67.615%0.15437%0.37CS..  trans-84.1131.1-17756.40000113.1R304R304-S307 PolarHBondContact N-OG 3.44Å; R304-S307 PolarHBondContact O-N 3.22Å; R304-S307 PolarHBondContact O-OG 3.45Å
308L77Confident67.3Low61 Ų6165.1 Ų65.132%0.31936%0.36SS..EExtended strand (participates in β ladder)trans-81.7126169.9-69.2172.1000109.3D355 C356 P358L308-D355 CarbonylContact O-C 3.54Å; L308-D355 WeakPolarHBondContact O-CA 3.35Å; L308-C356 PolarHBondContact O-N 2.98Å; L308-P358 HydrophobicContact CD1-CG 3.97Å
309V77.5Confident66.5Low0 Ų069.9 Ų69.90%038%0.379CS..EExtended strand (participates in β ladder)trans-109.2154.1175.2-59.70000110.5C291 S292 L303 F311 F353 P354C291-V309 WeakPolarHBondContact CA-O 3.37Å; S292-V309 PolarHBondContact N-O 3.12Å; S292-V309 WeakPolarHBondContact O-CG2 3.36Å; S292-V309 PolarHBondContact O-N 3.45Å; L303-V309 HydrophobicContact CD1-CG1 4.41Å; V309-F311 HydrophobicContact CG2-CD2 4.4Å; V309-F311 HydrophobicContact CG2-CE2 3.54Å; V309-F311 HydrophobicContact CG2-CZ 3.71Å; V309-F353 HydrophobicContact CB-CB 3.94Å; V309-F353 HydrophobicContact CG1-CB 4.03Å; V309-F353 WeakPolarHBondContact CG1-O 3.35Å; V309-F353 HydrophobicContact CG2-CB 4.08Å; V309-P354 CarbonylContact C-O 3.56Å; V309-P354 VanDerWaalsContact CA-O 3.32Å; V309-P354 WeakPolarHBondContact CA-O 3.16Å
310F76.1Confident65.4Low7 Ų773 Ų733%0.03141%0.405CS..EExtended strand (participates in β ladder)trans-83.6134.9-178.5-179.8-99.1000112.3I287 P354 C356 S362 P364I287-F310 HydrophobicContact CG2-CE1 3.89Å; I287-F310 HydrophobicContact CG2-CZ 3.9Å; F310-P354 HydrophobicContact CB-CG 4.24Å; F310-P354 PolarHBondContact N-O 2.81Å; F310-C356 HydrophobicContact CB-CB 4.17Å; F310-S362 WeakPolarHBondContact CE2-O 3.34Å; F310-P364 HydrophobicContact CB-CB 3.82Å; F310-P364 HydrophobicContact CD1-CB 3.7Å; F310-P364 HydrophobicContact CD1-CG 3.88Å; F310-P364 HydrophobicContact CD2-CB 4.33Å; F310-P364 HydrophobicContact CE1-CB 4.35Å; F310-P364 HydrophobicContact CE1-CG 4.03Å; F310-P364 HydrophobicContact CG-CB 3.67Å; F310-P364 HydrophobicContact CG-CG 4.21Å; F310-P364 HydrophobicContact CZ-CG 4.49Å
311F71.1Confident64.5Low13 Ų1369.9 Ų69.96%0.05740%0.396CS..EExtended strand (participates in β ladder)trans-121.2138172.3-65.2-86000110.8G289 Y290 V309 Q322 F353G289-F311 CarbonylContact C-O 3.59Å; G289-F311 WeakPolarHBondContact CA-O 3.3Å; Y290-F311 HydrophobicContact CD1-CB 4.3Å; Y290-F311 HydrophobicContact CD2-CB 4.34Å; Y290-F311 HydrophobicContact CD2-CD2 4.47Å; Y290-F311 HydrophobicContact CE1-CB 3.81Å; Y290-F311 HydrophobicContact CE2-CB 3.85Å; Y290-F311 AromaticContact CE2-CD2 3.93Å; Y290-F311 HydrophobicContact CE2-CD2 3.93Å; Y290-F311 HydrophobicContact CE2-CG 4.1Å; Y290-F311 PolarHBondContact N-O 2.81Å; Y290-F311 PolarHBondContact O-N 3.3Å; V309-F311 HydrophobicContact CG2-CD2 4.4Å; V309-F311 HydrophobicContact CG2-CE2 3.54Å; V309-F311 HydrophobicContact CG2-CZ 3.71Å; F311-Q322 HydrophobicContact CE1-CG 3.9Å; F311-Q322 HydrophobicContact CZ-CG 4.27Å; F311-F353 HydrophobicContact CE1-CD1 4.21Å; F311-F353 HydrophobicContact CE1-CE1 4.14Å
312N65Low64.1Low21 Ų2164.4 Ų64.411%0.11236%0.361CS..EExtended strand (participates in β ladder)trans-75.1130.3176.3-174.9-18.9000110.7T288 S314 L315 L399T288-N312 PolarHBondContact O-OD1 2.79Å; N312-S314 VanDerWaalsContact CG-OG 3.26Å; N312-S314 PolarHBondContact ND2-OG 3.12Å; N312-S314 PolarHBondContact O-N 2.74Å; N312-S314 PolarHBondContact OD1-N 2.69Å; N312-S314 VanDerWaalsContact OD1-N 3.16Å; N312-S314 PolarHBondContact OD1-OG 3.35Å; N312-L315 HydrophobicContact CB-CD1 4.25Å; N312-L399 HydrophobicContact CB-CD2 3.94Å; N312-L399 HydrophobicContact CB-CG 4.47Å
313S58.9Low63.6Low61 Ų6165.5 Ų65.543%0.42737%0.366SS..THydrogen-bonded Turntrans-76.2-5.8-173.964.40000114.8T288 L315T288-S313 VanDerWaalsContact C-OG 3.3Å; T288-S313 WeakPolarHBondContact CB-OG 3.47Å; T288-S313 PolarHBondContact O-N 3.04Å; T288-S313 PolarHBondContact O-OG 3.1Å; T288-S313 PolarHBondContact OG1-OG 3.39Å; T288-S313 VanDerWaalsContact OG1-OG 3.11Å; S313-L315 PolarHBondContact O-N 3.1Å
314S57.4Low63Low94 Ų9472.4 Ų72.466%0.65739%0.392SS*.THydrogen-bonded Turntrans-81.27.7175.145.40000113.9N312N312-S314 VanDerWaalsContact CG-OG 3.26Å; N312-S314 PolarHBondContact ND2-OG 3.12Å; N312-S314 PolarHBondContact O-N 2.74Å; N312-S314 PolarHBondContact OD1-N 2.69Å; N312-S314 VanDerWaalsContact OD1-N 3.16Å; N312-S314 PolarHBondContact OD1-OG 3.35Å
315L56.2Low62.7Low63 Ų6366.4 Ų66.433%0.3337%0.372SS..  trans-111129.4-179.4-66.4166.3000110.3N312 S313 M321 L399N312-L315 HydrophobicContact CB-CD1 4.25Å; S313-L315 PolarHBondContact O-N 3.1Å; L315-M321 HydrophobicContact CB-CE 3.99Å; L315-M321 HydrophobicContact CD2-CE 3.71Å; L315-M321 HydrophobicContact CD2-SD 4.38Å; L315-M321 HydrophobicContact CG-CE 4.35Å; L315-L399 HydrophobicContact CD1-CD1 3.53Å; L315-L399 HydrophobicContact CD1-CD2 3.61Å; L315-L399 HydrophobicContact CD1-CG 3.58Å
316S48.2Very low63.1Low127 Ų12759.6 Ų59.689%0.88834%0.336SS*.SBendtrans-87.6-10.9-163.937.10000116.3
317D58.2Low63.2Low82 Ų8257.9 Ų57.944%0.43932%0.322SS..  trans-145110.9178.9-169.7-10.6000112.1E319 A320 M321D317-E319 PolarHBondContact OD1-N 3.45Å; D317-A320 WeakPolarHBondContact OD2-CB 3.47Å; D317-M321 VanDerWaalsContact O-CB 3.25Å; D317-M321 WeakPolarHBondContact O-CB 3.02Å
318P56.1Low62.9Low56 Ų5659.2 Ų59.236%0.36433%0.331SS..Hα-helixtrans-72.4-34.7-174.2-19.632.4000115.6Y290 Q322Y290-P318 VanDerWaalsContact OH-CB 3.27Å; Y290-P318 WeakPolarHBondContact OH-CB 3.42Å; Y290-P318 VanDerWaalsContact OH-CG 3.25Å; Y290-P318 WeakPolarHBondContact OH-CG 3.38Å; P318-Q322 VanDerWaalsContact O-CG 3.26Å; P318-Q322 WeakPolarHBondContact O-CG 3.46Å; P318-Q322 PolarHBondContact O-NE2 3.07Å
319E57.1Low62.5Low118 Ų11857.3 Ų57.355%0.55132%0.32SS*.Hα-helixtrans-88.7-40.6-169.6-75-175.1162.500111.6R295 D317 M321R295-E319 IonicContact CZ-OE1 2.74Å; R295-E319 IonicContact NH1-OE1 3.37Å; R295-E319 PolarHBondContact NH1-OE1 3.03Å; D317-E319 PolarHBondContact OD1-N 3.45Å; E319-M321 VanDerWaalsContact C-N 3.32Å; E319-M321 PolarHBondContact O-N 3.3Å
320A55.6Low62.2Low64 Ų6459.8 Ų59.853%0.52933%0.333SS..Hα-helixtrans-68.6-29.2176.500000113.2D317D317-A320 WeakPolarHBondContact OD2-CB 3.47Å
321M58.3Low61.8Low47 Ų4762.8 Ų62.823%0.23236%0.359CS..Hα-helixtrans-81-27.3-176.2-159.696.863.100113.2L315 D317 E319 E323 Y324 L325L315-M321 HydrophobicContact CB-CE 3.99Å; L315-M321 HydrophobicContact CD2-CE 3.71Å; L315-M321 HydrophobicContact CD2-SD 4.38Å; L315-M321 HydrophobicContact CG-CE 4.35Å; D317-M321 VanDerWaalsContact O-CB 3.25Å; D317-M321 WeakPolarHBondContact O-CB 3.02Å; E319-M321 VanDerWaalsContact C-N 3.32Å; E319-M321 PolarHBondContact O-N 3.3Å; M321-E323 VanDerWaalsContact C-N 3.33Å; M321-E323 PolarHBondContact O-N 3.21Å; M321-Y324 PolarHBondContact O-N 3.11Å; M321-L325 HydrophobicContact CG-CD1 3.81Å; M321-L325 HydrophobicContact CG-CG 4.09Å; M321-L325 VanDerWaalsContact O-CD1 3.3Å; M321-L325 WeakPolarHBondContact O-CD1 3.46Å; M321-L325 VanDerWaalsContact O-CG 3.28Å; M321-L325 WeakPolarHBondContact O-CG 3.22Å; M321-L325 PolarHBondContact O-N 3.15Å
322Q66.6Low61.7Low8 Ų865.3 Ų65.34%0.03737%0.371CS..Hα-helixtrans-58.8-43.9-178.9-83.1170.659.200112.1Y294 G296 F311 P318 V326Y294-Q322 HydrophobicContact CD2-CG 4.41Å; Y294-Q322 HydrophobicContact CE2-CB 4.34Å; Y294-Q322 HydrophobicContact CE2-CG 4.3Å; G296-Q322 VanDerWaalsContact N-OE1 3.15Å; F311-Q322 HydrophobicContact CE1-CG 3.9Å; F311-Q322 HydrophobicContact CZ-CG 4.27Å; P318-Q322 VanDerWaalsContact O-CG 3.26Å; P318-Q322 WeakPolarHBondContact O-CG 3.46Å; P318-Q322 PolarHBondContact O-NE2 3.07Å; Q322-V326 VanDerWaalsContact O-CG2 3.32Å; Q322-V326 WeakPolarHBondContact O-CG2 3.13Å
323E64.5Low62.1Low52 Ų5264.4 Ų64.424%0.24337%0.367CS..Hα-helixtrans-81.5-38.4179.9-154.561.3-152.700110.9D297 M321 L325 V326 Q327D297-E323 PolarHBondContact N-OE2 2.95Å; M321-E323 VanDerWaalsContact C-N 3.33Å; M321-E323 PolarHBondContact O-N 3.21Å; E323-L325 PolarHBondContact O-N 3.02Å; E323-V326 CarbonylContact O-C 3.54Å; E323-V326 PolarHBondContact O-N 3.22Å; E323-V326 VanDerWaalsContact O-N 3.11Å; E323-Q327 HydrophobicContact CG-CG 4.4Å; E323-Q327 VanDerWaalsContact O-CG 3.31Å; E323-Q327 WeakPolarHBondContact O-CG 3.41Å; E323-Q327 PolarHBondContact O-N 3.48Å
324Y63.1Low62.9Low154 Ų15469.2 Ų69.260%0.60438%0.382SS*.Hα-helixtrans-57.4-44.7178.2177.6-99000113.6M321 V326 Q327M321-Y324 PolarHBondContact O-N 3.11Å; Y324-V326 PolarHBondContact O-N 3.33Å; Y324-Q327 PolarHBondContact O-N 3.44Å
325L60.8Low63.5Low38 Ų3868.2 Ų68.220%0.19939%0.386CS..Hα-helixtrans-62.3-36.5177.8-71.6159.3000111.9M321 E323 S328 L399M321-L325 HydrophobicContact CG-CD1 3.81Å; M321-L325 HydrophobicContact CG-CG 4.09Å; M321-L325 VanDerWaalsContact O-CD1 3.3Å; M321-L325 WeakPolarHBondContact O-CD1 3.46Å; M321-L325 VanDerWaalsContact O-CG 3.28Å; M321-L325 WeakPolarHBondContact O-CG 3.22Å; M321-L325 PolarHBondContact O-N 3.15Å; E323-L325 PolarHBondContact O-N 3.02Å; L325-S328 PolarHBondContact O-OG 2.83Å; L325-L399 HydrophobicContact CD1-CD1 3.23Å; L325-L399 HydrophobicContact CD2-CD1 3.84Å; L325-L399 HydrophobicContact CG-CD1 4.16Å
326V66.1Low64.6Low0 Ų066 Ų660%038%0.375CS..Hα-helixtrans-81.8-32.8-177.2172.50000111.4A298 Q322 E323 Y324 S328 W329 L330 F353A298-V326 HydrophobicContact CB-CB 4.22Å; A298-V326 HydrophobicContact CB-CG1 3.11Å; Q322-V326 VanDerWaalsContact O-CG2 3.32Å; Q322-V326 WeakPolarHBondContact O-CG2 3.13Å; E323-V326 CarbonylContact O-C 3.54Å; E323-V326 PolarHBondContact O-N 3.22Å; E323-V326 VanDerWaalsContact O-N 3.11Å; Y324-V326 PolarHBondContact O-N 3.33Å; V326-S328 PolarHBondContact O-N 3.15Å; V326-S328 VanDerWaalsContact O-N 3.1Å; V326-W329 VanDerWaalsContact CA-NE1 3.32Å; V326-W329 HydrophobicContact CG2-CZ2 4.03Å; V326-W329 PolarHBondContact O-N 3.08Å; V326-W329 PolarHBondContact O-NE1 3.4Å; V326-L330 HydrophobicContact CG1-CD1 3.64Å; V326-L330 HydrophobicContact CG1-CD2 4.44Å; V326-L330 HydrophobicContact CG1-CG 3.85Å; V326-L330 WeakPolarHBondContact O-CG 3.42Å; V326-L330 PolarHBondContact O-N 2.85Å; V326-F353 HydrophobicContact CG2-CE2 3.9Å; V326-F353 HydrophobicContact CG2-CZ 4.16Å
327Q65.4Low66.1Low128 Ų12862 Ų6260%0.59835%0.347SS*.Hα-helixtrans-61.2-26.1175.5-70.1-153.8-9.300113.1E323 Y324 W329E323-Q327 HydrophobicContact CG-CG 4.4Å; E323-Q327 VanDerWaalsContact O-CG 3.31Å; E323-Q327 WeakPolarHBondContact O-CG 3.41Å; E323-Q327 PolarHBondContact O-N 3.48Å; Y324-Q327 PolarHBondContact O-N 3.44Å; Q327-W329 VanDerWaalsContact C-N 3.3Å; Q327-W329 PolarHBondContact O-N 3.1Å
328S62.3Low66.7Low49 Ų4961.6 Ų61.634%0.34336%0.362SS..Hα-helixtrans-66.7-25.417980.80000114.7L325 V326L325-S328 PolarHBondContact O-OG 2.83Å; V326-S328 PolarHBondContact O-N 3.15Å; V326-S328 VanDerWaalsContact O-N 3.1Å
329W68.2Low67.6Low21 Ų2162.7 Ų62.78%0.0837%0.365CS..Hα-helixtrans-108.6-15177.660.522.7000114.5V326 Q327 A331 E332 L333 L348 A352 L412V326-W329 VanDerWaalsContact CA-NE1 3.32Å; V326-W329 HydrophobicContact CG2-CZ2 4.03Å; V326-W329 PolarHBondContact O-N 3.08Å; V326-W329 PolarHBondContact O-NE1 3.4Å; Q327-W329 VanDerWaalsContact C-N 3.3Å; Q327-W329 PolarHBondContact O-N 3.1Å; W329-A331 VanDerWaalsContact C-N 3.31Å; W329-A331 PolarHBondContact O-N 2.98Å; W329-E332 PolarHBondContact O-N 2.82Å; W329-L333 WeakPolarHBondContact O-CG 3.38Å; W329-L333 PolarHBondContact O-N 3.39Å; W329-L333 VanDerWaalsContact O-N 3.1Å; W329-L348 HydrophobicContact CD2-CB 4.21Å; W329-L348 HydrophobicContact CD2-CD1 4.03Å; W329-L348 HydrophobicContact CD2-CG 4.48Å; W329-L348 HydrophobicContact CE3-CB 3.67Å; W329-L348 HydrophobicContact CE3-CD1 3.71Å; W329-L348 HydrophobicContact CE3-CD2 3.51Å; W329-L348 HydrophobicContact CE3-CG 3.79Å; W329-L348 HydrophobicContact CG-CD1 4.43Å; W329-L348 HydrophobicContact CH2-CB 3.49Å; W329-L348 VanDerWaalsContact CH2-CB 3.49Å; W329-L348 HydrophobicContact CH2-CG 4.46Å; W329-L348 WeakPolarHBondContact CH2-O 3.17Å; W329-L348 HydrophobicContact CZ2-CB 4.02Å; W329-L348 HydrophobicContact CZ3-CB 3.28Å; W329-L348 HydrophobicContact CZ3-CD1 4.22Å; W329-L348 HydrophobicContact CZ3-CD2 3.48Å; W329-L348 VanDerWaalsContact CZ3-CD2 3.48Å; W329-L348 HydrophobicContact CZ3-CG 3.78Å; W329-A352 HydrophobicContact CH2-CB 3.52Å; W329-A352 HydrophobicContact CZ2-CB 4.43Å; W329-A352 HydrophobicContact CZ3-CB 4.13Å; W329-L412 HydrophobicContact CB-CD2 3.13Å; W329-L412 HydrophobicContact CB-CG 4.45Å; W329-L412 HydrophobicContact CG-CD2 4.39Å
330L70.8Confident68.6Low52 Ų5257.1 Ų57.127%0.27234%0.338SS..Hα-helixtrans-65.6-38.6-175.4-82.4168.8000111A298 V326 E332 L333 E334A298-L330 HydrophobicContact CB-CD1 4.01Å; V326-L330 HydrophobicContact CG1-CD1 3.64Å; V326-L330 HydrophobicContact CG1-CD2 4.44Å; V326-L330 HydrophobicContact CG1-CG 3.85Å; V326-L330 WeakPolarHBondContact O-CG 3.42Å; V326-L330 PolarHBondContact O-N 2.85Å; L330-E332 VanDerWaalsContact C-N 3.3Å; L330-E332 PolarHBondContact O-N 3.48Å; L330-L333 PolarHBondContact O-N 2.78Å; L330-L333 VanDerWaalsContact O-N 3.15Å; L330-E334 PolarHBondContact O-N 2.91Å; L330-E334 VanDerWaalsContact O-N 3.12Å
331A68.8Low69.8Low71 Ų7156.3 Ų56.359%0.58733%0.325SS*.Hα-helixtrans-61.5-35.217600000113.1W329W329-A331 VanDerWaalsContact C-N 3.31Å; W329-A331 PolarHBondContact O-N 2.98Å
332E68.6Low70.7Confident65 Ų6556.3 Ų56.330%0.30433%0.329SS..Hα-helixtrans-77.2-27.2177.3-66.5-68.7169.800111.8W329 L330 L412W329-E332 PolarHBondContact O-N 2.82Å; L330-E332 VanDerWaalsContact C-N 3.3Å; L330-E332 PolarHBondContact O-N 3.48Å; E332-L412 HydrophobicContact CB-CD2 4.35Å; E332-L412 HydrophobicContact CG-CD1 4.31Å
333L72.8Confident71.2Confident3 Ų356.5 Ų56.52%0.01633%0.33CS..Hα-helixtrans-76.5-31.8177.6-68.1173.8000112.6W329 L330 G335 L336 N341 A344 L345 L348 L389W329-L333 WeakPolarHBondContact O-CG 3.38Å; W329-L333 PolarHBondContact O-N 3.39Å; W329-L333 VanDerWaalsContact O-N 3.1Å; L330-L333 PolarHBondContact O-N 2.78Å; L330-L333 VanDerWaalsContact O-N 3.15Å; L333-G335 PolarHBondContact O-N 3.42Å; L333-G335 VanDerWaalsContact O-N 3.13Å; L333-L336 HydrophobicContact CB-CD1 4.47Å; L333-L336 HydrophobicContact CD2-CD1 3.44Å; L333-L336 VanDerWaalsContact CD2-CD1 3.44Å; L333-L336 WeakPolarHBondContact O-CB 3.45Å; L333-L336 PolarHBondContact O-N 3.03Å; L333-N341 PolarHBondContact O-ND2 2.98Å; L333-A344 HydrophobicContact CD2-CB 3.87Å; L333-L345 HydrophobicContact CD1-CB 4.09Å; L333-L345 HydrophobicContact CD1-CD1 3.64Å; L333-L345 HydrophobicContact CD1-CG 4.43Å; L333-L348 HydrophobicContact CD1-CD1 4.07Å; L333-L348 HydrophobicContact CD2-CD1 3.95Å; L333-L348 HydrophobicContact CG-CD1 4.36Å; L333-L389 HydrophobicContact CD2-CD2 4.48Å
334E75.7Confident71.8Confident162 Ų16254 Ų5476%0.75732%0.319SS*.THydrogen-bonded Turntrans-57.6-26.3-179.5-78.5179-176.300113.9L330L330-E334 PolarHBondContact O-N 2.91Å; L330-E334 VanDerWaalsContact O-N 3.12Å
335G70.3Confident72.6Confident72 Ų7247.9 Ų47.974%0.74230%0.296SS*.THydrogen-bonded Turntrans-85-5.7178.400000115.7L333L333-G335 PolarHBondContact O-N 3.42Å; L333-G335 VanDerWaalsContact O-N 3.13Å
336L79.1Confident73.5Confident16 Ų1646.4 Ų46.48%0.08429%0.289CS..SBendtrans-81.2154.2-176.7-60.1177.4000112.2L333 C340 N341 A344 E385 L389L333-L336 HydrophobicContact CB-CD1 4.47Å; L333-L336 HydrophobicContact CD2-CD1 3.44Å; L333-L336 VanDerWaalsContact CD2-CD1 3.44Å; L333-L336 WeakPolarHBondContact O-CB 3.45Å; L333-L336 PolarHBondContact O-N 3.03Å; L336-C340 HydrophobicContact CB-CB 4.29Å; L336-N341 HydrophobicContact CB-CB 3.95Å; L336-A344 HydrophobicContact CD1-CB 4.05Å; L336-E385 HydrophobicContact CD2-CB 3.44Å; L336-E385 VanDerWaalsContact CD2-CB 3.44Å; L336-E385 HydrophobicContact CD2-CG 4.03Å; L336-L389 HydrophobicContact CD1-CD1 3.99Å; L336-L389 HydrophobicContact CD1-CD2 4.12Å; L336-L389 HydrophobicContact CD2-CD1 4.04Å; L336-L389 HydrophobicContact CD2-CD2 4.23Å; L336-L389 HydrophobicContact CD2-CG 4.15Å
337S79.3Confident74.1Confident44 Ų4446.5 Ų46.531%0.30829%0.29SS..  trans-59.5153.3171.765.80000111.4L339 C340 N341 E385S337-L339 PolarHBondContact O-N 3.36Å; S337-C340 PolarHBondContact O-N 3.35Å; S337-C340 PolarHBondContact OG-N 3.41Å; S337-N341 WeakPolarHBondContact O-CB 3.31Å; S337-N341 PolarHBondContact O-N 3.22Å; S337-E385 WeakPolarHBondContact CA-OE1 3.38Å; S337-E385 WeakPolarHBondContact CB-OE1 3.39Å; S337-E385 PolarHBondContact N-OE1 2.85Å; S337-E385 PolarHBondContact OG-OE1 3.11Å
338G71.8Confident74.6Confident73 Ų7340.4 Ų40.475%0.75326%0.261SS*.THydrogen-bonded Turntrans-59.8-7.2173.200000114.6P342G338-P342 WeakPolarHBondContact O-CD 3.18Å
339L73.6Confident75.4Confident80 Ų8038 Ų3842%0.41925%0.245SC..THydrogen-bonded Turntrans-88.5-44.5171.4-61.6173.4000111.9S337S337-L339 PolarHBondContact O-N 3.36Å
340C79.5Confident75.8Confident0 Ų037.2 Ų37.20%024%0.242CC..THydrogen-bonded Turntrans-80.7-43.7-176.6175.20000112.1L336 S337 V343 A344 C382L336-C340 HydrophobicContact CB-CB 4.29Å; S337-C340 PolarHBondContact O-N 3.35Å; S337-C340 PolarHBondContact OG-N 3.41Å; C340-V343 PolarHBondContact O-N 3.16Å; C340-A344 VanDerWaalsContact O-CB 3.31Å; C340-A344 WeakPolarHBondContact O-CB 3.44Å; C340-A344 PolarHBondContact O-N 2.78Å; C340-C382 WeakPolarHBondContact CA-SG 2.89Å; C340-C382 HydrophobicContact CB-CB 3.95Å; C340-C382 WeakPolarHBondContact CB-SG 3.41Å; C340-C382 VanDerWaalsContact SG-CA 3.53Å; C340-C382 WeakPolarHBondContact SG-CB 3.42Å; C340-C382 CovalentContact SG-SG 2.03Å; C340-C382 PolarHBondContact SG-SG 3.08Å
341N80.8Confident75.9Confident47 Ų4736 Ų3625%0.25124%0.237SC..Hα-helixtrans-48.6-57.3-175.3179.2-67.4000114.1L333 L336 S337 V343 A344 L345L333-N341 PolarHBondContact O-ND2 2.98Å; L336-N341 HydrophobicContact CB-CB 3.95Å; S337-N341 WeakPolarHBondContact O-CB 3.31Å; S337-N341 PolarHBondContact O-N 3.22Å; N341-V343 VanDerWaalsContact C-N 3.31Å; N341-V343 PolarHBondContact O-N 2.82Å; N341-A344 PolarHBondContact O-N 2.63Å; N341-L345 WeakPolarHBondContact O-CB 3.4Å; N341-L345 PolarHBondContact O-N 2.86Å
342P77.6Confident76.2Confident48 Ų4833.5 Ų33.531%0.31222%0.217SC..Hα-helixtrans-67.8-30.5-174.225.1-34.7000113.3G338 S346G338-P342 WeakPolarHBondContact O-CD 3.18Å; P342-S346 WeakPolarHBondContact O-CB 3.33Å; P342-S346 PolarHBondContact O-N 2.96Å; P342-S346 VanDerWaalsContact O-N 3.16Å
343V75.4Confident76.6Confident11 Ų1130.4 Ų30.47%0.06720%0.203CC..Hα-helixtrans-81.3-37-178.5-168.20000110.8C340 N341 L347 V377 Y381 F434C340-V343 PolarHBondContact O-N 3.16Å; N341-V343 VanDerWaalsContact C-N 3.31Å; N341-V343 PolarHBondContact O-N 2.82Å; V343-L347 WeakPolarHBondContact O-CB 3.44Å; V343-L347 PolarHBondContact O-N 3.27Å; V343-L347 VanDerWaalsContact O-N 3.09Å; V343-V377 HydrophobicContact CB-CG1 4.41Å; V343-V377 HydrophobicContact CG1-CB 4.28Å; V343-V377 HydrophobicContact CG1-CG1 3.99Å; V343-V377 HydrophobicContact CG1-CG2 3.49Å; V343-V377 VanDerWaalsContact CG1-CG2 3.49Å; V343-Y381 HydrophobicContact CG1-CD2 4.38Å; V343-Y381 HydrophobicContact CG1-CG 4.32Å; V343-Y381 HydrophobicContact CG2-CD1 4.02Å; V343-Y381 HydrophobicContact CG2-CG 4.21Å; V343-F434 HydrophobicContact CG1-CE1 3.91Å; V343-F434 HydrophobicContact CG1-CZ 3.8Å; V343-F434 HydrophobicContact CG2-CE1 4.48Å
344A78.4Confident76.7Confident0 Ų030.5 Ų30.50%020%0.203CC..Hα-helixtrans-64.1-45.7171.700000111.3L333 L336 C340 N341 S346 L347 L348 L389L333-A344 HydrophobicContact CD2-CB 3.87Å; L336-A344 HydrophobicContact CD1-CB 4.05Å; C340-A344 VanDerWaalsContact O-CB 3.31Å; C340-A344 WeakPolarHBondContact O-CB 3.44Å; C340-A344 PolarHBondContact O-N 2.78Å; N341-A344 PolarHBondContact O-N 2.63Å; A344-S346 PolarHBondContact O-N 2.92Å; A344-L347 PolarHBondContact O-N 2.8Å; A344-L348 VanDerWaalsContact O-CB 3.27Å; A344-L348 WeakPolarHBondContact O-CB 3.49Å; A344-L348 VanDerWaalsContact O-CG 3.23Å; A344-L348 WeakPolarHBondContact O-CG 3.45Å; A344-L348 PolarHBondContact O-N 3.33Å; A344-L389 HydrophobicContact CB-CD1 4.44Å
345L80.1Confident76.7Confident25 Ų2524.4 Ų24.413%0.13118%0.176CC..Hα-helixtrans-58.9-46.2176.3-179.461.9000111.8L333 N341 L347 L348 C349L333-L345 HydrophobicContact CD1-CB 4.09Å; L333-L345 HydrophobicContact CD1-CD1 3.64Å; L333-L345 HydrophobicContact CD1-CG 4.43Å; N341-L345 WeakPolarHBondContact O-CB 3.4Å; N341-L345 PolarHBondContact O-N 2.86Å; L345-L347 PolarHBondContact O-N 2.82Å; L345-L348 PolarHBondContact O-N 3.13Å; L345-C349 WeakPolarHBondContact O-CB 3.34Å; L345-C349 PolarHBondContact O-N 2.76Å; L345-C349 PolarHBondContact O-SG 2.83Å
346S79.6Confident76.9Confident7 Ų721.5 Ų21.55%0.04914%0.144CC..Hα-helixtrans-59.3-47.5176.7179.30000112.4P342 A344 L348 C349 H350P342-S346 WeakPolarHBondContact O-CB 3.33Å; P342-S346 PolarHBondContact O-N 2.96Å; P342-S346 VanDerWaalsContact O-N 3.16Å; A344-S346 PolarHBondContact O-N 2.92Å; S346-L348 VanDerWaalsContact C-N 3.32Å; S346-L348 PolarHBondContact O-N 3.46Å; S346-C349 PolarHBondContact O-N 2.73Å; S346-H350 PolarHBondContact O-CD2 2.86Å; S346-H350 VanDerWaalsContact O-CD2 3.25Å; S346-H350 PolarHBondContact O-N 2.96Å; S346-H350 VanDerWaalsContact O-N 3.14Å
347L77.4Confident76.4Confident2 Ų224.2 Ų24.21%0.0116%0.158CC..Hα-helixtrans-59.8-44.5178.3175.659.7000111.8V343 A344 L345 S351 N370 C374 V377 W386 L413 I432V343-L347 WeakPolarHBondContact O-CB 3.44Å; V343-L347 PolarHBondContact O-N 3.27Å; V343-L347 VanDerWaalsContact O-N 3.09Å; A344-L347 PolarHBondContact O-N 2.8Å; L345-L347 PolarHBondContact O-N 2.82Å; L347-S351 VanDerWaalsContact O-CB 3.31Å; L347-S351 WeakPolarHBondContact O-CB 3.43Å; L347-S351 PolarHBondContact O-N 2.83Å; L347-S351 VanDerWaalsContact O-N 3.1Å; L347-S351 PolarHBondContact O-OG 3.25Å; L347-N370 WeakPolarHBondContact CD1-OD1 3.47Å; L347-C374 HydrophobicContact CD1-CB 4.42Å; L347-C374 HydrophobicContact CD2-CB 4.29Å; L347-V377 HydrophobicContact CD2-CB 4.14Å; L347-V377 HydrophobicContact CD2-CG1 4.32Å; L347-V377 HydrophobicContact CD2-CG2 4.03Å; L347-W386 HydrophobicContact CD2-CH2 4.28Å; L347-L413 HydrophobicContact CD2-CD2 3.98Å; L347-L413 HydrophobicContact CG-CD2 4.47Å; L347-I432 HydrophobicContact CD1-CD1 3.68Å
348L77.1Confident75.5Confident0 Ų026.9 Ų26.90%018%0.175CC..Hα-helixtrans-61.5-54.3177.9-79.6177.1000110.8W329 L333 A344 L345 S346 H350 S351 A352 L412 L413W329-L348 HydrophobicContact CD2-CB 4.21Å; W329-L348 HydrophobicContact CD2-CD1 4.03Å; W329-L348 HydrophobicContact CD2-CG 4.48Å; W329-L348 HydrophobicContact CE3-CB 3.67Å; W329-L348 HydrophobicContact CE3-CD1 3.71Å; W329-L348 HydrophobicContact CE3-CD2 3.51Å; W329-L348 HydrophobicContact CE3-CG 3.79Å; W329-L348 HydrophobicContact CG-CD1 4.43Å; W329-L348 HydrophobicContact CH2-CB 3.49Å; W329-L348 VanDerWaalsContact CH2-CB 3.49Å; W329-L348 HydrophobicContact CH2-CG 4.46Å; W329-L348 WeakPolarHBondContact CH2-O 3.17Å; W329-L348 HydrophobicContact CZ2-CB 4.02Å; W329-L348 HydrophobicContact CZ3-CB 3.28Å; W329-L348 HydrophobicContact CZ3-CD1 4.22Å; W329-L348 HydrophobicContact CZ3-CD2 3.48Å; W329-L348 VanDerWaalsContact CZ3-CD2 3.48Å; W329-L348 HydrophobicContact CZ3-CG 3.78Å; L333-L348 HydrophobicContact CD1-CD1 4.07Å; L333-L348 HydrophobicContact CD2-CD1 3.95Å; L333-L348 HydrophobicContact CG-CD1 4.36Å; A344-L348 VanDerWaalsContact O-CB 3.27Å; A344-L348 WeakPolarHBondContact O-CB 3.49Å; A344-L348 VanDerWaalsContact O-CG 3.23Å; A344-L348 WeakPolarHBondContact O-CG 3.45Å; A344-L348 PolarHBondContact O-N 3.33Å; L345-L348 PolarHBondContact O-N 3.13Å; S346-L348 VanDerWaalsContact C-N 3.32Å; S346-L348 PolarHBondContact O-N 3.46Å; L348-H350 PolarHBondContact O-N 3.33Å; L348-S351 PolarHBondContact O-N 3.31Å; L348-S351 PolarHBondContact O-OG 3.1Å; L348-A352 PolarHBondContact O-N 3.27Å; L348-L412 VanDerWaalsContact CD2-O 3.25Å; L348-L412 WeakPolarHBondContact CD2-O 3.31Å; L348-L413 HydrophobicContact CD1-CD2 4.38Å; L348-L413 HydrophobicContact CD2-CD2 3.59Å; L348-L413 HydrophobicContact CD2-CG 4.23Å; L348-L413 HydrophobicContact CG-CD2 3.81Å
349C78.4Confident74.7Confident0 Ų028.6 Ų28.60%018%0.175CC..Hα-helixtrans-54.2-47.5179.4-70.70000113.3C299 N302 L303 L345 S346 S351 A352 F353C299-C349 VanDerWaalsContact CA-SG 3.51Å; C299-C349 HydrophobicContact CB-CB 3.64Å; C299-C349 WeakPolarHBondContact CB-SG 3.35Å; C299-C349 VanDerWaalsContact SG-CA 3.58Å; C299-C349 WeakPolarHBondContact SG-CB 3.43Å; C299-C349 CovalentContact SG-SG 2.03Å; C299-C349 PolarHBondContact SG-SG 2.83Å; N302-C349 HydrophobicContact CB-CB 4.31Å; L303-C349 HydrophobicContact CD2-CB 4.39Å; L345-C349 WeakPolarHBondContact O-CB 3.34Å; L345-C349 PolarHBondContact O-N 2.76Å; L345-C349 PolarHBondContact O-SG 2.83Å; S346-C349 PolarHBondContact O-N 2.73Å; C349-S351 VanDerWaalsContact C-N 3.33Å; C349-S351 PolarHBondContact O-N 2.91Å; C349-A352 PolarHBondContact O-N 2.84Å; C349-F353 WeakPolarHBondContact O-CB 3.28Å; C349-F353 WeakPolarHBondContact O-CD2 3.19Å; C349-F353 PolarHBondContact O-N 2.88Å
350H76.9Confident73.5Confident4 Ų427.7 Ų27.72%0.01919%0.185CC..Hα-helixtrans-72.5-23.4179-77-74.3000114.2N302 S346 L348 I432 P433N302-H350 PolarHBondContact O-NE2 3.04Å; N302-H350 VanDerWaalsContact O-NE2 3.1Å; S346-H350 PolarHBondContact O-CD2 2.86Å; S346-H350 VanDerWaalsContact O-CD2 3.25Å; S346-H350 PolarHBondContact O-N 2.96Å; S346-H350 VanDerWaalsContact O-N 3.14Å; L348-H350 PolarHBondContact O-N 3.33Å; H350-I432 HydrophobicContact CB-CD1 4.05Å; H350-I432 HydrophobicContact CB-CG1 3.68Å; H350-P433 WeakPolarHBondContact NE2-CD 3.32Å
351S73.6Confident72.3Confident25 Ų2530 Ų3018%0.17521%0.209CC..Hα-helixtrans-79.7-35.8175.672.60000112.6L347 L348 C349L347-S351 VanDerWaalsContact O-CB 3.31Å; L347-S351 WeakPolarHBondContact O-CB 3.43Å; L347-S351 PolarHBondContact O-N 2.83Å; L347-S351 VanDerWaalsContact O-N 3.1Å; L347-S351 PolarHBondContact O-OG 3.25Å; L348-S351 PolarHBondContact O-N 3.31Å; L348-S351 PolarHBondContact O-OG 3.1Å; C349-S351 VanDerWaalsContact C-N 3.33Å; C349-S351 PolarHBondContact O-N 2.91Å
352A73.4Confident71.1Confident19 Ų1931.1 Ų31.116%0.15722%0.221CC..Hα-helixtrans-80-32.7177.900000112.5W329 L348 C349 P354W329-A352 HydrophobicContact CH2-CB 3.52Å; W329-A352 HydrophobicContact CZ2-CB 4.43Å; W329-A352 HydrophobicContact CZ3-CB 4.13Å; L348-A352 PolarHBondContact O-N 3.27Å; C349-A352 PolarHBondContact O-N 2.84Å; A352-P354 WeakPolarHBondContact O-CD 3.29Å
353F76.8Confident70.2Confident1 Ų131 Ų310%0.00422%0.224CC..SBendtrans-124.774.7-177.7-54.1-71000110.6Y294 L303 V309 F311 V326 C349Y294-F353 HydrophobicContact CD2-CD1 4.27Å; Y294-F353 HydrophobicContact CD2-CD2 4.26Å; Y294-F353 HydrophobicContact CD2-CE1 4.32Å; Y294-F353 HydrophobicContact CD2-CE2 4.32Å; Y294-F353 HydrophobicContact CD2-CG 4.24Å; Y294-F353 HydrophobicContact CD2-CZ 4.35Å; Y294-F353 HydrophobicContact CE2-CD2 4.06Å; Y294-F353 HydrophobicContact CE2-CE1 4.19Å; Y294-F353 AromaticContact CE2-CE2 3.71Å; Y294-F353 HydrophobicContact CE2-CE2 3.71Å; Y294-F353 HydrophobicContact CE2-CG 4.44Å; Y294-F353 AromaticContact CE2-CZ 3.79Å; Y294-F353 HydrophobicContact CE2-CZ 3.79Å; L303-F353 HydrophobicContact CD1-CB 4.09Å; L303-F353 HydrophobicContact CD1-CD2 4.34Å; L303-F353 HydrophobicContact CD1-CG 4.49Å; V309-F353 HydrophobicContact CB-CB 3.94Å; V309-F353 HydrophobicContact CG1-CB 4.03Å; V309-F353 WeakPolarHBondContact CG1-O 3.35Å; V309-F353 HydrophobicContact CG2-CB 4.08Å; F311-F353 HydrophobicContact CE1-CD1 4.21Å; F311-F353 HydrophobicContact CE1-CE1 4.14Å; V326-F353 HydrophobicContact CG2-CE2 3.9Å; V326-F353 HydrophobicContact CG2-CZ 4.16Å; C349-F353 WeakPolarHBondContact O-CB 3.28Å; C349-F353 WeakPolarHBondContact O-CD2 3.19Å; C349-F353 PolarHBondContact O-N 2.88Å
354P76Confident69.7Low4 Ų430.8 Ų30.83%0.02622%0.222CC..  trans-72.6145.8-178.928.7-33.2000111.9V309 F310 A352 P364 V367V309-P354 CarbonylContact C-O 3.56Å; V309-P354 VanDerWaalsContact CA-O 3.32Å; V309-P354 WeakPolarHBondContact CA-O 3.16Å; F310-P354 HydrophobicContact CB-CG 4.24Å; F310-P354 PolarHBondContact N-O 2.81Å; A352-P354 WeakPolarHBondContact O-CD 3.29Å; P354-P364 HydrophobicContact CB-CB 4.33Å; P354-P364 HydrophobicContact CG-CB 3.68Å; P354-V367 HydrophobicContact CB-CG2 4.35Å
355D75.8Confident69.1Low35 Ų3533.5 Ų33.519%0.18723%0.234CC..BIsolated β-bridgetrans-53.3145.6175-65.1-21.7000112.3L308 K365 T430L308-D355 CarbonylContact O-C 3.54Å; L308-D355 WeakPolarHBondContact O-CA 3.35Å; D355-K365 HydrophobicContact CB-CD 4.26Å; D355-K365 VanDerWaalsContact O-CB 3.25Å; D355-K365 WeakPolarHBondContact O-CB 3.41Å; D355-K365 WeakPolarHBondContact O-CG 3.33Å; D355-K365 PolarHBondContact O-N 2.82Å; D355-T430 HydrophobicContact CB-CG2 4.11Å; D355-T430 WeakPolarHBondContact CB-OG1 3.49Å; D355-T430 PolarHBondContact N-OG1 3.22Å; D355-T430 WeakPolarHBondContact OD2-CA 3.13Å
356C74.1Confident68Low11 Ų1134.4 Ų34.47%0.07424%0.241CC..  trans-134.6150.6173173.80000111.7C291 L308 F310C291-C356 HydrophobicContact CB-CB 3.55Å; C291-C356 WeakPolarHBondContact CB-SG 3.34Å; C291-C356 WeakPolarHBondContact SG-CB 3.47Å; C291-C356 CovalentContact SG-SG 1.99Å; C291-C356 PolarHBondContact SG-SG 2.88Å; L308-C356 PolarHBondContact O-N 2.98Å; F310-C356 HydrophobicContact CB-CB 4.17Å
357N68.3Low67.1Low72 Ų7235 Ų3539%0.38525%0.245SC..  trans-112.4126.4171.5-174.2-4.4000110.7S359 G360N357-S359 PolarHBondContact O-N 2.82Å; N357-S359 VanDerWaalsContact O-N 3.12Å; N357-S359 PolarHBondContact OD1-N 2.8Å; N357-S359 VanDerWaalsContact OD1-N 3.14Å; N357-G360 PolarHBondContact O-N 3.13Å
358P60Low66Low100 Ų10035.3 Ų35.365%0.64925%0.247SC*.THydrogen-bonded Turntrans-59.6-22.8177.420.7-32.1000114L308L308-P358 HydrophobicContact CD1-CG 3.97Å
359S55.7Low65.2Low109 Ų10938.2 Ų38.276%0.76226%0.258SS*.THydrogen-bonded Turntrans-88-9.6-178-45.10000114.9N357N357-S359 PolarHBondContact O-N 2.82Å; N357-S359 VanDerWaalsContact O-N 3.12Å; N357-S359 PolarHBondContact OD1-N 2.8Å; N357-S359 VanDerWaalsContact OD1-N 3.14Å
360G49.3Very low64.3Low61 Ų6138.4 Ų38.463%0.62926%0.259SS*.SBendtrans-115.219.6-163.800000116.4N357N357-G360 PolarHBondContact O-N 3.13Å
361G53.3Low63.7Low48 Ų4842.5 Ų42.550%0.49527%0.274SS..  trans87.9150.1-176.300000112.6A363G361-A363 PolarHBondContact O-N 3.49Å
362S55.2Low63.5Low72 Ų7244.6 Ų44.650%0.50328%0.281SS..SBendtrans-68.237.8-179.743.40000113.9G289 F310G289-S362 WeakPolarHBondContact O-CB 3.39Å; F310-S362 WeakPolarHBondContact CE2-O 3.34Å
363A60.1Low63.3Low45 Ų4543.9 Ų43.937%0.37228%0.275SS..SBendtrans-116.4137.6-179.200000110.4G361G361-A363 PolarHBondContact O-N 3.49Å
364P65.4Low63.2Low6 Ų643.9 Ų43.94%0.03928%0.275CS..PPolyproline II helixtrans-63142.1176.525.5-31.8000110.3F310 P354F310-P364 HydrophobicContact CB-CB 3.82Å; F310-P364 HydrophobicContact CD1-CB 3.7Å; F310-P364 HydrophobicContact CD1-CG 3.88Å; F310-P364 HydrophobicContact CD2-CB 4.33Å; F310-P364 HydrophobicContact CE1-CB 4.35Å; F310-P364 HydrophobicContact CE1-CG 4.03Å; F310-P364 HydrophobicContact CG-CB 3.67Å; F310-P364 HydrophobicContact CG-CG 4.21Å; F310-P364 HydrophobicContact CZ-CG 4.49Å; P354-P364 HydrophobicContact CB-CB 4.33Å; P354-P364 HydrophobicContact CG-CB 3.68Å
365K64.8Low63.1Low57 Ų5745.2 Ų45.225%0.24828%0.281CS..PPolyproline II helixtrans-66.5136.2168.7-68.3-172.1-179.2-169.90109D355 H427 T430D355-K365 HydrophobicContact CB-CD 4.26Å; D355-K365 VanDerWaalsContact O-CB 3.25Å; D355-K365 WeakPolarHBondContact O-CB 3.41Å; D355-K365 WeakPolarHBondContact O-CG 3.33Å; D355-K365 PolarHBondContact O-N 2.82Å; K365-H427 PolarHBondContact NZ-O 2.79Å; K365-T430 PolarHBondContact O-OG1 2.9Å
366P57.7Low63Low44 Ų4443.9 Ų43.929%0.28628%0.276SS..PPolyproline II helixtrans-63.8142.7172.625.7-32.2000110.1C368 C429 T430P366-C368 PolarHBondContact O-N 2.98Å; P366-C429 CarbonylContact O-C 3.54Å; P366-C429 WeakPolarHBondContact O-CA 3.33Å; P366-C429 WeakPolarHBondContact O-CB 3.12Å; P366-T430 PolarHBondContact O-N 2.63Å
367V59.3Low63.2Low20 Ų2043.6 Ų43.612%0.12127%0.273CS..  trans-82.592.9176.4-166.60000108.8P354 N370 I432P354-V367 HydrophobicContact CB-CG2 4.35Å; V367-N370 HydrophobicContact CB-CB 4.1Å; V367-N370 HydrophobicContact CG1-CB 3.78Å; V367-N370 VanDerWaalsContact O-CB 3.31Å; V367-N370 WeakPolarHBondContact O-CB 3.13Å; V367-I432 HydrophobicContact CG1-CD1 4Å; V367-I432 HydrophobicContact CG1-CG1 4.14Å
368C55.6Low63.6Low9 Ų943.1 Ų43.16%0.06127%0.268CS..THydrogen-bonded Turntrans-89.9-7.6-167.3-63.20000115.7P366 N370 C429P366-C368 PolarHBondContact O-N 2.98Å; C368-N370 VanDerWaalsContact C-N 3.32Å; C368-C429 HydrophobicContact CB-CB 3.36Å; C368-C429 WeakPolarHBondContact SG-CB 3.43Å
369R59.3Low64.3Low61 Ų6141.8 Ų41.823%0.2325%0.253CS..THydrogen-bonded Turntrans-91.4-1169.8-85.2-178.4169.1-133.15.9113.5R371 H373 L422 Y431R369-R371 PolarHBondContact O-N 3.26Å; R369-H373 PolarHBondContact NH1-NE2 2.82Å; R369-H373 WeakPolarHBondContact O-CB 3.5Å; R369-H373 PolarHBondContact O-CD2 2.84Å; R369-H373 VanDerWaalsContact O-CD2 3.29Å; R369-H373 VanDerWaalsContact O-CG 3.25Å; R369-H373 PolarHBondContact O-N 2.01Å; R369-L422 HydrophobicContact CG-CD1 4.02Å; R369-Y431 VanDerWaalsContact CD-CD2 3.44Å; R369-Y431 VanDerWaalsContact CD-CE2 3.43Å; R369-Y431 VanDerWaalsContact NE-CE2 3.3Å; R369-Y431 PolarHBondContact NH1-OH 3.39Å
370N59.8Low65.2Low3 Ų337.3 Ų37.32%0.01622%0.22CC..Hα-helixtrans-67.5-35.1-165.4-150.8-11.3000112.4L347 V367 C368 C374 L419L347-N370 WeakPolarHBondContact CD1-OD1 3.47Å; V367-N370 HydrophobicContact CB-CB 4.1Å; V367-N370 HydrophobicContact CG1-CB 3.78Å; V367-N370 VanDerWaalsContact O-CB 3.31Å; V367-N370 WeakPolarHBondContact O-CB 3.13Å; C368-N370 VanDerWaalsContact C-N 3.32Å; N370-C374 WeakPolarHBondContact O-CA 3.18Å; N370-C374 WeakPolarHBondContact O-CB 3.17Å; N370-C374 PolarHBondContact O-N 3.32Å; N370-C374 WeakPolarHBondContact OD1-CB 3.29Å; N370-L419 HydrophobicContact CB-CB 4.21Å; N370-L419 HydrophobicContact CB-CD1 3.58Å; N370-L419 HydrophobicContact CB-CD2 4.05Å; N370-L419 HydrophobicContact CB-CG 4.14Å; N370-L419 WeakPolarHBondContact ND2-CD1 3.2Å; N370-L419 WeakPolarHBondContact OD1-CD1 3.29Å
371R64.3Low66.5Low91 Ų9134.9 Ų34.934%0.34319%0.192SC..Hα-helixtrans-61.5-54.5179.8-178.9170.8174.9-176.23.5113R369 L375 C416 L419R369-R371 PolarHBondContact O-N 3.26Å; R371-L375 HydrophobicContact CG-CD1 4.07Å; R371-L375 VanDerWaalsContact O-CB 3.23Å; R371-L375 WeakPolarHBondContact O-CB 3.32Å; R371-L375 WeakPolarHBondContact O-CD1 3.4Å; R371-L375 WeakPolarHBondContact O-CG 3.35Å; R371-L375 PolarHBondContact O-N 2.79Å; R371-C416 WeakPolarHBondContact CG-O 3.32Å; R371-L419 HydrophobicContact CB-CB 4.07Å; R371-L419 WeakPolarHBondContact CD-O 3.46Å
372E69.3Low67.7Low68 Ų6832.6 Ų32.632%0.31817%0.169SC..Hα-helixtrans-72.5-37.2-178.3-65.6-179.2-165.200111.8A376 V484E372-A376 WeakPolarHBondContact O-CB 3.45Å; E372-A376 PolarHBondContact O-N 2.94Å; E372-V484 HydrophobicContact CB-CG2 4.1Å
373H70.3Confident68.8Low5 Ų535 Ų352%0.02317%0.172CC..Hα-helixtrans-69.6-49177.9-71.7-149.4000111.5R369 L375 A376 V377 I432 V484R369-H373 PolarHBondContact NH1-NE2 2.82Å; R369-H373 WeakPolarHBondContact O-CB 3.5Å; R369-H373 PolarHBondContact O-CD2 2.84Å; R369-H373 VanDerWaalsContact O-CD2 3.29Å; R369-H373 VanDerWaalsContact O-CG 3.25Å; R369-H373 PolarHBondContact O-N 2.01Å; H373-L375 VanDerWaalsContact C-N 3.31Å; H373-L375 PolarHBondContact O-N 3.05Å; H373-A376 CarbonylContact O-C 3.57Å; H373-A376 WeakPolarHBondContact O-CA 3.23Å; H373-A376 WeakPolarHBondContact O-CB 3.47Å; H373-A376 PolarHBondContact O-N 2.74Å; H373-V377 VanDerWaalsContact O-CG2 3.25Å; H373-V377 WeakPolarHBondContact O-CG2 3.4Å; H373-V377 PolarHBondContact O-N 3.25Å; H373-I432 PolarHBondContact CE1-O 2.91Å; H373-I432 PolarHBondContact ND1-O 3.02Å; H373-V484 WeakPolarHBondContact CD2-CG1 3.31Å
374C72.9Confident69.5Low0 Ų040.4 Ų40.40%019%0.187CC..Hα-helixtrans-60.5-40.9176.6-171.40000111.1L347 N370 A376 V377 K378 C416 L419L347-C374 HydrophobicContact CD1-CB 4.42Å; L347-C374 HydrophobicContact CD2-CB 4.29Å; N370-C374 WeakPolarHBondContact O-CA 3.18Å; N370-C374 WeakPolarHBondContact O-CB 3.17Å; N370-C374 PolarHBondContact O-N 3.32Å; N370-C374 WeakPolarHBondContact OD1-CB 3.29Å; C374-A376 VanDerWaalsContact C-N 3.35Å; C374-V377 PolarHBondContact O-N 3.28Å; C374-K378 VanDerWaalsContact O-CB 3.28Å; C374-K378 WeakPolarHBondContact O-CB 3.32Å; C374-K378 PolarHBondContact O-N 2.78Å; C374-C416 HydrophobicContact CB-CB 3.61Å; C374-C416 WeakPolarHBondContact CB-SG 3.5Å; C374-C416 PolarHBondContact O-SG 3.47Å; C374-C416 WeakPolarHBondContact SG-CA 3.41Å; C374-C416 WeakPolarHBondContact SG-CB 3.45Å; C374-C416 CovalentContact SG-SG 2.03Å; C374-C416 PolarHBondContact SG-SG 3.19Å; C374-L419 HydrophobicContact CB-CD1 4.4Å
375L74Confident70.2Confident32 Ų3242 Ų4217%0.16819%0.194CC..Hα-helixtrans-63.8-38.8172.3-72.8173.2000111.8R371 H373 K378 E379 C416R371-L375 HydrophobicContact CG-CD1 4.07Å; R371-L375 VanDerWaalsContact O-CB 3.23Å; R371-L375 WeakPolarHBondContact O-CB 3.32Å; R371-L375 WeakPolarHBondContact O-CD1 3.4Å; R371-L375 WeakPolarHBondContact O-CG 3.35Å; R371-L375 PolarHBondContact O-N 2.79Å; H373-L375 VanDerWaalsContact C-N 3.31Å; H373-L375 PolarHBondContact O-N 3.05Å; L375-K378 PolarHBondContact O-N 3.46Å; L375-E379 VanDerWaalsContact O-CB 3.22Å; L375-E379 WeakPolarHBondContact O-CB 3.34Å; L375-E379 WeakPolarHBondContact O-CG 3.19Å; L375-E379 PolarHBondContact O-N 3.39Å; L375-C416 HydrophobicContact CD2-CB 3.95Å; L375-C416 HydrophobicContact CG-CB 4.09Å
376A75.2Confident70.7Confident8 Ų839.6 Ų39.67%0.06618%0.183CC..Hα-helixtrans-64.2-44.3173.700000111.8E372 H373 C374 K378 L380 Y381 V484E372-A376 WeakPolarHBondContact O-CB 3.45Å; E372-A376 PolarHBondContact O-N 2.94Å; H373-A376 CarbonylContact O-C 3.57Å; H373-A376 WeakPolarHBondContact O-CA 3.23Å; H373-A376 WeakPolarHBondContact O-CB 3.47Å; H373-A376 PolarHBondContact O-N 2.74Å; C374-A376 VanDerWaalsContact C-N 3.35Å; A376-K378 PolarHBondContact O-N 2.95Å; A376-L380 HydrophobicContact CB-CD1 4.14Å; A376-L380 WeakPolarHBondContact O-CA 3.37Å; A376-L380 WeakPolarHBondContact O-CB 3.37Å; A376-L380 PolarHBondContact O-N 3.32Å; A376-Y381 WeakPolarHBondContact O-CD2 3.4Å; A376-Y381 PolarHBondContact O-N 2.68Å; A376-V484 HydrophobicContact CB-CG1 4.2Å
377V76.8Confident71.2Confident4 Ų443.8 Ų43.82%0.02420%0.203CC..Iπ-helixtrans-58.5-48.7174.1-171.30000110.2V343 L347 H373 C374 Y381 C382 W386V343-V377 HydrophobicContact CB-CG1 4.41Å; V343-V377 HydrophobicContact CG1-CB 4.28Å; V343-V377 HydrophobicContact CG1-CG1 3.99Å; V343-V377 HydrophobicContact CG1-CG2 3.49Å; V343-V377 VanDerWaalsContact CG1-CG2 3.49Å; L347-V377 HydrophobicContact CD2-CB 4.14Å; L347-V377 HydrophobicContact CD2-CG1 4.32Å; L347-V377 HydrophobicContact CD2-CG2 4.03Å; H373-V377 VanDerWaalsContact O-CG2 3.25Å; H373-V377 WeakPolarHBondContact O-CG2 3.4Å; H373-V377 PolarHBondContact O-N 3.25Å; C374-V377 PolarHBondContact O-N 3.28Å; V377-Y381 PolarHBondContact O-N 2.79Å; V377-C382 HydrophobicContact CG1-CB 4.34Å; V377-C382 WeakPolarHBondContact O-CB 3.49Å; V377-C382 PolarHBondContact O-N 2.74Å; V377-W386 HydrophobicContact CB-CZ3 4.07Å; V377-W386 HydrophobicContact CG1-CZ3 3.85Å
378K77.3Confident71.6Confident63 Ų6346.8 Ų46.827%0.27422%0.221SC..Iπ-helixtrans-61.8-51.2179.3-180166.3-172.4154.50113.4C374 L375 A376 H383 W386 E390C374-K378 VanDerWaalsContact O-CB 3.28Å; C374-K378 WeakPolarHBondContact O-CB 3.32Å; C374-K378 PolarHBondContact O-N 2.78Å; L375-K378 PolarHBondContact O-N 3.46Å; A376-K378 PolarHBondContact O-N 2.95Å; K378-H383 WeakPolarHBondContact O-CA 3.02Å; K378-H383 PolarHBondContact O-N 3.02Å; K378-W386 HydrophobicContact CB-CD2 3.68Å; K378-W386 HydrophobicContact CB-CE3 3.73Å; K378-W386 HydrophobicContact CB-CG 4.36Å; K378-W386 HydrophobicContact CB-CH2 3.75Å; K378-W386 HydrophobicContact CB-CZ2 3.78Å; K378-W386 HydrophobicContact CB-CZ3 3.75Å; K378-W386 HydrophobicContact CD-CD2 4.07Å; K378-W386 VanDerWaalsContact CD-CE2 3.5Å; K378-W386 HydrophobicContact CD-CG 4.25Å; K378-W386 HydrophobicContact CD-CZ2 3.86Å; K378-W386 HydrophobicContact CG-CD2 3.57Å; K378-W386 HydrophobicContact CG-CE3 4.14Å; K378-W386 HydrophobicContact CG-CG 3.76Å; K378-W386 HydrophobicContact CG-CH2 4.49Å; K378-W386 HydrophobicContact CG-CZ2 4.04Å; K378-E390 IonicContact NZ-OE1 3.91Å; K378-E390 PolarHBondContact NZ-OE1 3.36Å; K378-E390 IonicContact NZ-OE2 2.83Å
379E75.3Confident72Confident71 Ų7146.5 Ų46.533%0.33222%0.219SC..Iπ-helixtrans-90.1-21.4-168-62-176.817200112.7L375 R479L375-E379 VanDerWaalsContact O-CB 3.22Å; L375-E379 WeakPolarHBondContact O-CB 3.34Å; L375-E379 WeakPolarHBondContact O-CG 3.19Å; L375-E379 PolarHBondContact O-N 3.39Å; E379-R479 IonicContact OE1-NH1 2.85Å
380L73.9Confident72.1Confident15 Ų1546.9 Ų46.98%0.07922%0.223CC..Iπ-helixtrans-116.2-48.4-174.2-51.5174.7000114A376 L480 V485 I501A376-L380 HydrophobicContact CB-CD1 4.14Å; A376-L380 WeakPolarHBondContact O-CA 3.37Å; A376-L380 WeakPolarHBondContact O-CB 3.37Å; A376-L380 PolarHBondContact O-N 3.32Å; L380-L480 HydrophobicContact CD1-CD2 3.66Å; L380-L480 HydrophobicContact CD2-CD2 3.82Å; L380-L480 HydrophobicContact CG-CD2 4.32Å; L380-V485 HydrophobicContact CD1-CG1 4.43Å; L380-V485 HydrophobicContact CD1-CG2 3.82Å; L380-I501 HydrophobicContact CD2-CD1 3.95Å; L380-I501 WeakPolarHBondContact O-CG2 3.46Å
381Y76.9Confident71.7Confident10 Ų1048.9 Ų48.94%0.03925%0.245CC..Iπ-helixtrans-92.9-39.8-169.8-64.6-84.2000113.1V343 A376 V377 F434 E487V343-Y381 HydrophobicContact CG1-CD2 4.38Å; V343-Y381 HydrophobicContact CG1-CG 4.32Å; V343-Y381 HydrophobicContact CG2-CD1 4.02Å; V343-Y381 HydrophobicContact CG2-CG 4.21Å; A376-Y381 WeakPolarHBondContact O-CD2 3.4Å; A376-Y381 PolarHBondContact O-N 2.68Å; V377-Y381 PolarHBondContact O-N 2.79Å; Y381-F434 HydrophobicContact CD2-CE1 4.1Å; Y381-F434 AromaticContact CD2-CZ 3.87Å; Y381-F434 HydrophobicContact CD2-CZ 3.87Å; Y381-F434 AromaticContact CE1-CE1 3.98Å; Y381-F434 HydrophobicContact CE1-CE1 3.98Å; Y381-F434 AromaticContact CE2-CE1 3.37Å; Y381-F434 HydrophobicContact CE2-CE1 3.37Å; Y381-F434 HydrophobicContact CE2-CE2 4.5Å; Y381-F434 AromaticContact CE2-CZ 3.28Å; Y381-F434 HydrophobicContact CE2-CZ 3.28Å; Y381-F434 AromaticContact CZ-CE1 3.28Å; Y381-F434 AromaticContact CZ-CZ 3.75Å; Y381-F434 VanDerWaalsContact OH-CE1 3.27Å; Y381-F434 WeakPolarHBondContact OH-CE1 3.44Å; Y381-E487 PolarHBondContact OH-OE2 2.93Å; Y381-E487 VanDerWaalsContact OH-OE2 3.06Å
382C78.1Confident70.5Confident0 Ų048.6 Ų48.60%025%0.253CS..SBendtrans-114.317.7-176-67.40000112.4C340 V377 K384 E385 W386C340-C382 WeakPolarHBondContact CA-SG 2.89Å; C340-C382 HydrophobicContact CB-CB 3.95Å; C340-C382 WeakPolarHBondContact CB-SG 3.41Å; C340-C382 VanDerWaalsContact SG-CA 3.53Å; C340-C382 WeakPolarHBondContact SG-CB 3.42Å; C340-C382 CovalentContact SG-SG 2.03Å; C340-C382 PolarHBondContact SG-SG 3.08Å; V377-C382 HydrophobicContact CG1-CB 4.34Å; V377-C382 WeakPolarHBondContact O-CB 3.49Å; V377-C382 PolarHBondContact O-N 2.74Å; C382-K384 PolarHBondContact O-N 3.2Å; C382-E385 PolarHBondContact O-N 2.96Å; C382-E385 VanDerWaalsContact O-N 3.08Å; C382-W386 HydrophobicContact CB-CE3 3.85Å; C382-W386 WeakPolarHBondContact O-CA 3.46Å; C382-W386 VanDerWaalsContact O-CB 3.23Å; C382-W386 WeakPolarHBondContact O-CB 3.23Å; C382-W386 PolarHBondContact O-N 2.85Å
383H78.6Confident69.4Low122 Ų12248.6 Ų48.657%0.56527%0.271SS*.THydrogen-bonded Turntrans-46.7-36.6-173.6171.6-72.8000114.6K378K378-H383 WeakPolarHBondContact O-CA 3.02Å; K378-H383 PolarHBondContact O-N 3.02Å
384K75.5Confident67.8Low160 Ų16054.1 Ų54.170%0.69631%0.311SS*.THydrogen-bonded Turntrans-89.3-39.2-178.9-66.2-176.3178.9-177.50112.6C382C382-K384 PolarHBondContact O-N 3.2Å
385E78.7Confident66.2Low38 Ų3857.5 Ų57.518%0.17833%0.331CS..THydrogen-bonded Turntrans-89-7.3-176.6-53.3106.2127.300114.1L336 S337 C382 L387 T388 L389L336-E385 HydrophobicContact CD2-CB 3.44Å; L336-E385 VanDerWaalsContact CD2-CB 3.44Å; L336-E385 HydrophobicContact CD2-CG 4.03Å; S337-E385 WeakPolarHBondContact CA-OE1 3.38Å; S337-E385 WeakPolarHBondContact CB-OE1 3.39Å; S337-E385 PolarHBondContact N-OE1 2.85Å; S337-E385 PolarHBondContact OG-OE1 3.11Å; C382-E385 PolarHBondContact O-N 2.96Å; C382-E385 VanDerWaalsContact O-N 3.08Å; E385-L387 VanDerWaalsContact C-N 3.28Å; E385-L387 PolarHBondContact O-N 3.02Å; E385-T388 WeakPolarHBondContact O-CA 3.4Å; E385-T388 WeakPolarHBondContact O-CB 2.93Å; E385-T388 PolarHBondContact O-N 2.8Å; E385-T388 PolarHBondContact O-OG1 3.26Å; E385-L389 PolarHBondContact O-N 2.92Å
386W76.6Confident64.6Low8 Ų864.1 Ų64.13%0.0336%0.361CS..Hα-helixtrans-60.7-36.2-176.9-169.6-85.8000112.9L347 V377 K378 C382 T388 L389 E390 L413 C416L347-W386 HydrophobicContact CD2-CH2 4.28Å; V377-W386 HydrophobicContact CB-CZ3 4.07Å; V377-W386 HydrophobicContact CG1-CZ3 3.85Å; K378-W386 HydrophobicContact CB-CD2 3.68Å; K378-W386 HydrophobicContact CB-CE3 3.73Å; K378-W386 HydrophobicContact CB-CG 4.36Å; K378-W386 HydrophobicContact CB-CH2 3.75Å; K378-W386 HydrophobicContact CB-CZ2 3.78Å; K378-W386 HydrophobicContact CB-CZ3 3.75Å; K378-W386 HydrophobicContact CD-CD2 4.07Å; K378-W386 VanDerWaalsContact CD-CE2 3.5Å; K378-W386 HydrophobicContact CD-CG 4.25Å; K378-W386 HydrophobicContact CD-CZ2 3.86Å; K378-W386 HydrophobicContact CG-CD2 3.57Å; K378-W386 HydrophobicContact CG-CE3 4.14Å; K378-W386 HydrophobicContact CG-CG 3.76Å; K378-W386 HydrophobicContact CG-CH2 4.49Å; K378-W386 HydrophobicContact CG-CZ2 4.04Å; C382-W386 HydrophobicContact CB-CE3 3.85Å; C382-W386 WeakPolarHBondContact O-CA 3.46Å; C382-W386 VanDerWaalsContact O-CB 3.23Å; C382-W386 WeakPolarHBondContact O-CB 3.23Å; C382-W386 PolarHBondContact O-N 2.85Å; W386-T388 PolarHBondContact O-N 2.83Å; W386-L389 CarbonylContact O-C 3.59Å; W386-L389 PolarHBondContact O-N 3.4Å; W386-L389 VanDerWaalsContact O-N 3.12Å; W386-E390 VanDerWaalsContact CD1-CD 3.4Å; W386-E390 VanDerWaalsContact CD1-OE1 3.31Å; W386-E390 PolarHBondContact NE1-OE1 2.9Å; W386-E390 PolarHBondContact O-N 3.06Å; W386-L413 HydrophobicContact CD2-CD1 3.97Å; W386-L413 HydrophobicContact CE3-CD1 3.71Å; W386-L413 HydrophobicContact CH2-CB 4.25Å; W386-L413 HydrophobicContact CH2-CD1 3.63Å; W386-L413 HydrophobicContact CH2-CD2 4.37Å; W386-L413 HydrophobicContact CH2-CG 4.34Å; W386-L413 HydrophobicContact CZ2-CB 4.16Å; W386-L413 HydrophobicContact CZ2-CD1 3.79Å; W386-L413 HydrophobicContact CZ3-CD1 3.56Å; W386-L413 HydrophobicContact CZ3-CD2 4.49Å; W386-C416 VanDerWaalsContact CZ2-SG 3.58Å
387L67.6Low62.8Low132 Ų13266.3 Ų66.369%0.69138%0.379SS*.Hα-helixtrans-64.3-30.6175.5-76164.6000112.2E385 L389 E390 G391E385-L387 VanDerWaalsContact C-N 3.28Å; E385-L387 PolarHBondContact O-N 3.02Å; L387-L389 VanDerWaalsContact C-N 3.33Å; L387-E390 PolarHBondContact O-N 3.43Å; L387-G391 PolarHBondContact O-N 2.88Å
388T68Low61Low83 Ų8368.2 Ų68.251%0.50940%0.399SS..Hα-helixtrans-68.9-35.6174-46.30000110.8E385 W386E385-T388 WeakPolarHBondContact O-CA 3.4Å; E385-T388 WeakPolarHBondContact O-CB 2.93Å; E385-T388 PolarHBondContact O-N 2.8Å; E385-T388 PolarHBondContact O-OG1 3.26Å; W386-T388 PolarHBondContact O-N 2.83Å
389L63.8Low59.4Low3 Ų366.5 Ų66.52%0.01639%0.393CS..Hα-helixtrans-77.5-18.5175.7-61.2165.5000113.5L333 L336 A344 E385 W386 L387 L412 L413L333-L389 HydrophobicContact CD2-CD2 4.48Å; L336-L389 HydrophobicContact CD1-CD1 3.99Å; L336-L389 HydrophobicContact CD1-CD2 4.12Å; L336-L389 HydrophobicContact CD2-CD1 4.04Å; L336-L389 HydrophobicContact CD2-CD2 4.23Å; L336-L389 HydrophobicContact CD2-CG 4.15Å; A344-L389 HydrophobicContact CB-CD1 4.44Å; E385-L389 PolarHBondContact O-N 2.92Å; W386-L389 CarbonylContact O-C 3.59Å; W386-L389 PolarHBondContact O-N 3.4Å; W386-L389 VanDerWaalsContact O-N 3.12Å; L387-L389 VanDerWaalsContact C-N 3.33Å; L389-L412 PolarHBondContact O-N 3.18Å; L389-L413 HydrophobicContact CB-CD1 3.41Å; L389-L413 VanDerWaalsContact CB-CD1 3.41Å; L389-L413 HydrophobicContact CB-CG 4.27Å; L389-L413 HydrophobicContact CD1-CD1 3.67Å; L389-L413 HydrophobicContact CG-CD1 4.09Å
390E61.8Low57.8Low68 Ų6866.7 Ų66.732%0.31840%0.396SS..THydrogen-bonded Turntrans-91.5-8.1175.9-86.8-179.1177.700113.8K378 W386 L387K378-E390 IonicContact NZ-OE1 3.91Å; K378-E390 PolarHBondContact NZ-OE1 3.36Å; K378-E390 IonicContact NZ-OE2 2.83Å; W386-E390 VanDerWaalsContact CD1-CD 3.4Å; W386-E390 VanDerWaalsContact CD1-OE1 3.31Å; W386-E390 PolarHBondContact NE1-OE1 2.9Å; W386-E390 PolarHBondContact O-N 3.06Å; L387-E390 PolarHBondContact O-N 3.43Å
391G50.8Low56.3Low46 Ų4669 Ų6947%0.47441%0.413SS..  trans-15079.2-164.300000117.4L387L387-G391 PolarHBondContact O-N 2.88Å
392T38.5Very low54.2Low85 Ų8573.6 Ų73.652%0.52145%0.447SS..  trans-155.4127.9145.537.30000108.3
393G47.2Very low52.1Low67 Ų6777.7 Ų77.769%0.69147%0.472SS*.  trans-69.8156.2-176.700000113.5
394S36.8Very low49.9Very low122 Ų12276.4 Ų76.485%0.85347%0.473SS*.  trans82.659.5168.9-175.90000117.1
395V38.9Very low47.8Very low71 Ų7172.3 Ų72.343%0.4348%0.476SS..  trans-131.5131155.1-175.60000109.6A397V395-A397 PolarHBondContact O-N 2.95Å; V395-A397 VanDerWaalsContact O-N 3.16Å
396Q39.8Very low45.5Very low170 Ų17075.9 Ų75.979%0.79451%0.505SS*.  trans-63.4112.2-178.8-152.5159.5-4.800108.7
397A38.6Very low43.4Very low55 Ų5582.2 Ų82.246%0.45554%0.535SS..  trans-61.1141.2-170.100000112.8V395 S401V395-A397 PolarHBondContact O-N 2.95Å; V395-A397 VanDerWaalsContact O-N 3.16Å; A397-S401 VanDerWaalsContact CB-OG 3.24Å; A397-S401 WeakPolarHBondContact CB-OG 3.37Å
398G39.6Very low41.6Very low43 Ų4383.9 Ų83.944%0.44354%0.543SS..  trans-54159.8179.700000113.7L400 S401G398-L400 PolarHBondContact O-N 3.47Å; G398-S401 PolarHBondContact O-N 2.92Å
399L43Very low40.1Very low27 Ų2785.7 Ų85.714%0.14154%0.544CS..THydrogen-bonded Turntrans-41.4-3.7-161-118.783.7000121.2N312 L315 L325N312-L399 HydrophobicContact CB-CD2 3.94Å; N312-L399 HydrophobicContact CB-CG 4.47Å; L315-L399 HydrophobicContact CD1-CD1 3.53Å; L315-L399 HydrophobicContact CD1-CD2 3.61Å; L315-L399 HydrophobicContact CD1-CG 3.58Å; L325-L399 HydrophobicContact CD1-CD1 3.23Å; L325-L399 HydrophobicContact CD2-CD1 3.84Å; L325-L399 HydrophobicContact CG-CD1 4.16Å
400L42.3Very low39.2Very low76 Ų7690 Ų9040%0.39857%0.571SS.*THydrogen-bonded Turntrans-1101.6175.3-73164.2000113.6I287 G398 S402I287-L400 HydrophobicContact CD1-CD2 3.76Å; G398-L400 PolarHBondContact O-N 3.47Å; L400-S402 PolarHBondContact O-N 2.94Å
401S40.4Very low38.6Very low62 Ų6289 Ų8943%0.43457%0.571SS.*THydrogen-bonded Turntrans-72.1-4.6-178.5-172.60000115.9A397 G398A397-S401 VanDerWaalsContact CB-OG 3.24Å; A397-S401 WeakPolarHBondContact CB-OG 3.37Å; G398-S401 PolarHBondContact O-N 2.92Å
402S33.6Very low38.9Very low107 Ų10788.8 Ų88.875%0.74856%0.559SS**THydrogen-bonded Turntrans-92.94.3-171.9-1700000115.6L400L400-S402 PolarHBondContact O-N 2.94Å
403V34.6Very low40.1Very low86 Ų8685.2 Ų85.252%0.52154%0.536SS..SBendtrans-108.8-3-168.4-170.30000115I287I287-V403 HydrophobicContact CD1-CG2 4.09Å; I287-V403 HydrophobicContact CG1-CG2 4.09Å
404T31.1Very low40.9Very low95 Ų9583.6 Ų83.658%0.58351%0.514SS*.SBendtrans-113.399.2166.155.90000109.8S406T404-S406 PolarHBondContact O-N 3.11Å; T404-S406 VanDerWaalsContact O-N 3.09Å
405G33.1Very low42.2Very low74 Ų7482 Ų8276%0.76350%0.496SS*.SBendtrans-48.4121.715900000108.2
406S30.1Very low43.5Very low114 Ų11478.9 Ų78.980%0.79748%0.477SS*.SBendtrans65.379-177.669.50000116.2T404T404-S406 PolarHBondContact O-N 3.11Å; T404-S406 VanDerWaalsContact O-N 3.09Å
407Q31.3Very low44.5Very low141 Ų14177.9 Ų77.966%0.65947%0.472SS*.  -159.5121125.6-68.8-151.2-21.300108.8F409Q407-F409 HydrophobicContact CB-CD2 4.41Å; Q407-F409 HydrophobicContact CB-CE2 3.91Å; Q407-F409 HydrophobicContact CB-CZ 4.18Å; Q407-F409 PolarHBondContact O-N 2.99Å
408I30Very low45.4Very low167 Ų16777.4 Ų77.486%0.85647%0.468SS*.  trans-74.3109.9171-62.9165000106.1
409F37.1Very low46.4Very low121 Ų12176.7 Ų76.753%0.53145%0.454SS..  trans-88134.4173.5-74.8-78.2000110.3Q407Q407-F409 HydrophobicContact CB-CD2 4.41Å; Q407-F409 HydrophobicContact CB-CE2 3.91Å; Q407-F409 HydrophobicContact CB-CZ 4.18Å; Q407-F409 PolarHBondContact O-N 2.99Å
410T43.9Very low46.9Very low94 Ų9476.2 Ų76.258%0.57745%0.453SS*.  trans-100.616.2-175.547.60000113.7
411S49.8Very low47.3Very low45 Ų4575.5 Ų75.532%0.31545%0.454SS..  trans-130.1136.6-171161.70000111.7L413S411-L413 VanDerWaalsContact C-N 3.29Å; S411-L413 PolarHBondContact OG-N 2.84Å; S411-L413 VanDerWaalsContact OG-N 3.17Å; S411-L413 PolarHBondContact OG-O 3.48Å
412L57.2Low47.7Very low43 Ų4376.3 Ų76.323%0.22545%0.453CS..SBendtrans-68.4-27.3173.8-97.695.2000113.1W329 E332 L348 L389W329-L412 HydrophobicContact CB-CD2 3.13Å; W329-L412 HydrophobicContact CB-CG 4.45Å; W329-L412 HydrophobicContact CG-CD2 4.39Å; E332-L412 HydrophobicContact CB-CD2 4.35Å; E332-L412 HydrophobicContact CG-CD1 4.31Å; L348-L412 VanDerWaalsContact CD2-O 3.25Å; L348-L412 WeakPolarHBondContact CD2-O 3.31Å; L389-L412 PolarHBondContact O-N 3.18Å
413L63.9Low48.5Very low10 Ų1080 Ų805%0.05246%0.458CS..SBendtrans-97.5151.2-174.1-70.6161.7000112.2L347 L348 W386 L389 S411L347-L413 HydrophobicContact CD2-CD2 3.98Å; L347-L413 HydrophobicContact CG-CD2 4.47Å; L348-L413 HydrophobicContact CD1-CD2 4.38Å; L348-L413 HydrophobicContact CD2-CD2 3.59Å; L348-L413 HydrophobicContact CD2-CG 4.23Å; L348-L413 HydrophobicContact CG-CD2 3.81Å; W386-L413 HydrophobicContact CD2-CD1 3.97Å; W386-L413 HydrophobicContact CE3-CD1 3.71Å; W386-L413 HydrophobicContact CH2-CB 4.25Å; W386-L413 HydrophobicContact CH2-CD1 3.63Å; W386-L413 HydrophobicContact CH2-CD2 4.37Å; W386-L413 HydrophobicContact CH2-CG 4.34Å; W386-L413 HydrophobicContact CZ2-CB 4.16Å; W386-L413 HydrophobicContact CZ2-CD1 3.79Å; W386-L413 HydrophobicContact CZ3-CD1 3.56Å; W386-L413 HydrophobicContact CZ3-CD2 4.49Å; L389-L413 HydrophobicContact CB-CD1 3.41Å; L389-L413 VanDerWaalsContact CB-CD1 3.41Å; L389-L413 HydrophobicContact CB-CG 4.27Å; L389-L413 HydrophobicContact CD1-CD1 3.67Å; L389-L413 HydrophobicContact CG-CD1 4.09Å; S411-L413 VanDerWaalsContact C-N 3.29Å; S411-L413 PolarHBondContact OG-N 2.84Å; S411-L413 VanDerWaalsContact OG-N 3.17Å; S411-L413 PolarHBondContact OG-O 3.48Å
414P63.3Low49.2Very low32 Ų3280 Ų8021%0.20846%0.458CS..  trans-65.9148.4176.328-34.1000111.6C416 L419P414-C416 PolarHBondContact O-N 2.91Å; P414-L419 HydrophobicContact CB-CD1 4.14Å; P414-L419 HydrophobicContact CG-CD1 4.41Å
415N63.9Low50.2Low90 Ų9080.3 Ų80.348%0.48146%0.456SS..  trans-6998.1173.9-178.3-15.9000110.2Q417 A418N415-Q417 PolarHBondContact O-N 2.91Å; N415-Q417 PolarHBondContact OD1-N 3.25Å; N415-Q417 VanDerWaalsContact OD1-N 3.13Å; N415-A418 HydrophobicContact CB-CB 4.16Å; N415-A418 CarbonylContact O-C 3.44Å; N415-A418 PolarHBondContact O-N 2.86Å; N415-A418 PolarHBondContact OD1-N 3.4Å
416C66.6Low51Low5 Ų582 Ų823%0.03445%0.454CS..G310 helixtrans-51.9-31.3-177.3-52.30000114.4R371 C374 L375 W386 P414R371-C416 WeakPolarHBondContact CG-O 3.32Å; C374-C416 HydrophobicContact CB-CB 3.61Å; C374-C416 WeakPolarHBondContact CB-SG 3.5Å; C374-C416 PolarHBondContact O-SG 3.47Å; C374-C416 WeakPolarHBondContact SG-CA 3.41Å; C374-C416 WeakPolarHBondContact SG-CB 3.45Å; C374-C416 CovalentContact SG-SG 2.03Å; C374-C416 PolarHBondContact SG-SG 3.19Å; L375-C416 HydrophobicContact CD2-CB 3.95Å; L375-C416 HydrophobicContact CG-CB 4.09Å; W386-C416 VanDerWaalsContact CZ2-SG 3.58Å; P414-C416 PolarHBondContact O-N 2.91Å
417Q62.1Low52.2Low148 Ų14883.8 Ų83.869%0.69245%0.449SS*.G310 helixtrans-80.2-27.7-177.5-65.4176.2-11.400112.5N415 L419N415-Q417 PolarHBondContact O-N 2.91Å; N415-Q417 PolarHBondContact OD1-N 3.25Å; N415-Q417 VanDerWaalsContact OD1-N 3.13Å; Q417-L419 PolarHBondContact O-N 2.75Å
418A57.3Low53.4Low46 Ų4678.8 Ų78.838%0.3844%0.436SS..G310 helixtrans-92.641.817400000110.3W280 N415W280-A418 HydrophobicContact CH2-CB 4.35Å; W280-A418 WeakPolarHBondContact CH2-O 3.36Å; W280-A418 WeakPolarHBondContact CZ2-O 3.49Å; W280-A418 WeakPolarHBondContact CZ3-O 3.29Å; N415-A418 HydrophobicContact CB-CB 4.16Å; N415-A418 CarbonylContact O-C 3.44Å; N415-A418 PolarHBondContact O-N 2.86Å; N415-A418 PolarHBondContact OD1-N 3.4Å
419L59.6Low55Low27 Ų2771.7 Ų71.714%0.14140%0.401CS..SBendtrans-125.2145174.1-74.2163.3000109N370 R371 C374 P414 Q417N370-L419 HydrophobicContact CB-CB 4.21Å; N370-L419 HydrophobicContact CB-CD1 3.58Å; N370-L419 HydrophobicContact CB-CD2 4.05Å; N370-L419 HydrophobicContact CB-CG 4.14Å; N370-L419 WeakPolarHBondContact ND2-CD1 3.2Å; N370-L419 WeakPolarHBondContact OD1-CD1 3.29Å; R371-L419 HydrophobicContact CB-CB 4.07Å; R371-L419 WeakPolarHBondContact CD-O 3.46Å; C374-L419 HydrophobicContact CB-CD1 4.4Å; P414-L419 HydrophobicContact CB-CD1 4.14Å; P414-L419 HydrophobicContact CG-CD1 4.41Å; Q417-L419 PolarHBondContact O-N 2.75Å
420P53.5Low56.1Low17 Ų1765.9 Ų65.911%0.1138%0.376CS..  trans-63.4144.5-177.720.9-27.1000111.7W280W280-P420 HydrophobicContact CB-CB 4.24Å; W280-P420 HydrophobicContact CB-CG 4.49Å; W280-P420 HydrophobicContact CD2-CB 4Å; W280-P420 HydrophobicContact CD2-CG 4.04Å; W280-P420 HydrophobicContact CE3-CG 4.14Å; W280-P420 HydrophobicContact CG-CB 3.78Å; W280-P420 HydrophobicContact CG-CG 4.18Å
421S51.7Low57.1Low61 Ų6165.7 Ų65.743%0.42737%0.365SS..  trans-92.7160.8175.955.10000112.7H423S421-H423 PolarHBondContact O-N 2.83Å
422L48.2Very low57.8Low79 Ų7964 Ų6441%0.41435%0.352SS..SBendtrans-69.590.2-168.9-163.699.6000114R369R369-L422 HydrophobicContact CG-CD1 4.02Å
423H49.6Very low57.9Low186 Ų18664 Ų6486%0.86136%0.355SS*.  trans-148.216.6155.9-78.7-47.5000114.1S421S421-H423 PolarHBondContact O-N 2.83Å
424T50.6Low57.6Low85 Ų8565.4 Ų65.452%0.52136%0.361SS..SBendtrans-98.4140.9176.351.40000111.4
425D52.2Low57.3Low101 Ų10167.3 Ų67.354%0.5437%0.372SS..  trans-29.2124.5173.5-179.62.4000114.5H427 G428D425-H427 PolarHBondContact O-N 2.95Å; D425-H427 IonicContact OD1-CD2 3.29Å; D425-H427 PolarHBondContact OD1-N 3.46Å; D425-H427 VanDerWaalsContact OD1-N 3.1Å; D425-G428 PolarHBondContact O-N 3.3Å
426P49.2Very low57Low110 Ų11069.9 Ų69.971%0.71439%0.385SS*.THydrogen-bonded Turntrans-53-23.1177.9-25.532.5000115.5
427H55.2Low56.7Low151 Ų15171.6 Ų71.670%0.69939%0.394SS*.THydrogen-bonded Turntrans-91.1-10.5-179.5-66-67.1000114.1K365 D425K365-H427 PolarHBondContact NZ-O 2.79Å; D425-H427 PolarHBondContact O-N 2.95Å; D425-H427 IonicContact OD1-CD2 3.29Å; D425-H427 PolarHBondContact OD1-N 3.46Å; D425-H427 VanDerWaalsContact OD1-N 3.1Å
428G56.6Low56.8Low37 Ų3769 Ų6938%0.38138%0.382SS..SBendtrans-90.63.2-17300000116.2D425D425-G428 PolarHBondContact O-N 3.3Å
429C62.8Low57.1Low17 Ų1775.5 Ų75.512%0.11540%0.402CS..SBendtrans-144.2161.1-168.866.70000114.5P366 C368P366-C429 CarbonylContact O-C 3.54Å; P366-C429 WeakPolarHBondContact O-CA 3.33Å; P366-C429 WeakPolarHBondContact O-CB 3.12Å; C368-C429 HydrophobicContact CB-CB 3.36Å; C368-C429 WeakPolarHBondContact SG-CB 3.43Å
430T61.3Low57.6Low0 Ų080.4 Ų80.40%043%0.428CS..  trans-78.2128.4171.1-54.10000110.5D355 K365 P366D355-T430 HydrophobicContact CB-CG2 4.11Å; D355-T430 WeakPolarHBondContact CB-OG1 3.49Å; D355-T430 PolarHBondContact N-OG1 3.22Å; D355-T430 WeakPolarHBondContact OD2-CA 3.13Å; K365-T430 PolarHBondContact O-OG1 2.9Å; P366-T430 PolarHBondContact O-N 2.63Å
431Y65.3Low58.6Low90 Ų9083.7 Ų83.735%0.35344%0.442SS..  trans-101.4128.5-178.2-179.1-87.1000111.4R369 P433R369-Y431 VanDerWaalsContact CD-CD2 3.44Å; R369-Y431 VanDerWaalsContact CD-CE2 3.43Å; R369-Y431 VanDerWaalsContact NE-CE2 3.3Å; R369-Y431 PolarHBondContact NH1-OH 3.39Å; Y431-P433 HydrophobicContact CD1-CB 4.41Å; Y431-P433 HydrophobicContact CE1-CB 4.04Å; Y431-P433 WeakPolarHBondContact O-CD 3.46Å
432I64Low60.1Low8 Ų883.6 Ų83.64%0.04144%0.436CS..  trans-94.8110.9173.7-52.2-178.3000108.5L347 H350 V367 H373L347-I432 HydrophobicContact CD1-CD1 3.68Å; H350-I432 HydrophobicContact CB-CD1 4.05Å; H350-I432 HydrophobicContact CB-CG1 3.68Å; V367-I432 HydrophobicContact CG1-CD1 4Å; V367-I432 HydrophobicContact CG1-CG1 4.14Å; H373-I432 PolarHBondContact CE1-O 2.91Å; H373-I432 PolarHBondContact ND1-O 3.02Å
433P59Low61.9Low45 Ų4581.3 Ų81.329%0.29243%0.425SS..PPolyproline II helixtrans-71.5129.5174.129.9-28.2000110.4H350 Y431H350-P433 WeakPolarHBondContact NE2-CD 3.32Å; Y431-P433 HydrophobicContact CD1-CB 4.41Å; Y431-P433 HydrophobicContact CE1-CB 4.04Å; Y431-P433 WeakPolarHBondContact O-CD 3.46Å
434F58.1Low63.7Low38 Ų3876.5 Ų76.517%0.16741%0.409CS..PPolyproline II helixtrans-75.1147.7168.1-119.4-83.6000109.8V343 Y381 D436 P486V343-F434 HydrophobicContact CG1-CE1 3.91Å; V343-F434 HydrophobicContact CG1-CZ 3.8Å; V343-F434 HydrophobicContact CG2-CE1 4.48Å; Y381-F434 HydrophobicContact CD2-CE1 4.1Å; Y381-F434 AromaticContact CD2-CZ 3.87Å; Y381-F434 HydrophobicContact CD2-CZ 3.87Å; Y381-F434 AromaticContact CE1-CE1 3.98Å; Y381-F434 HydrophobicContact CE1-CE1 3.98Å; Y381-F434 AromaticContact CE2-CE1 3.37Å; Y381-F434 HydrophobicContact CE2-CE1 3.37Å; Y381-F434 HydrophobicContact CE2-CE2 4.5Å; Y381-F434 AromaticContact CE2-CZ 3.28Å; Y381-F434 HydrophobicContact CE2-CZ 3.28Å; Y381-F434 AromaticContact CZ-CE1 3.28Å; Y381-F434 AromaticContact CZ-CZ 3.75Å; Y381-F434 VanDerWaalsContact OH-CE1 3.27Å; Y381-F434 WeakPolarHBondContact OH-CE1 3.44Å; F434-D436 PolarHBondContact O-N 2.9Å; F434-P486 HydrophobicContact CB-CG 3.8Å; F434-P486 HydrophobicContact CD1-CG 3.66Å; F434-P486 HydrophobicContact CG-CG 3.86Å
435V57.1Low65.4Low73 Ų7377.6 Ų77.644%0.44242%0.416SS..PPolyproline II helixtrans-58.2128.3172.6-173.80000108.8
436D56.8Low67.1Low144 Ų14474.1 Ų74.177%0.7740%0.399SS*.PPolyproline II helixtrans-55.4143.2175.2-80.6-38.5000110.6F434 Q438F434-D436 PolarHBondContact O-N 2.9Å; D436-Q438 PolarHBondContact O-N 2.99Å
437L59.5Low69Low41 Ų4169.1 Ų69.122%0.21537%0.366CS..  trans-52.6115.7166.1-79.3161.3000107.8K439 I442 F453 P486 E487L437-K439 PolarHBondContact O-N 3.29Å; L437-I442 HydrophobicContact CB-CD1 4.05Å; L437-I442 HydrophobicContact CB-CG1 4.49Å; L437-F453 HydrophobicContact CD2-CD1 4.01Å; L437-P486 HydrophobicContact CG-CB 4.12Å; L437-E487 HydrophobicContact CD2-CG 4.17Å
438Q65.2Low70.3Confident94 Ų9465.6 Ų65.644%0.43935%0.352SS..  trans-56.4102175-81.6-169.8-2.500108.5D436 D440 Q441D436-Q438 PolarHBondContact O-N 2.99Å; Q438-D440 VanDerWaalsContact C-OD1 3.24Å; Q438-D440 WeakPolarHBondContact CB-OD1 3.23Å; Q438-D440 PolarHBondContact O-N 2.77Å; Q438-D440 VanDerWaalsContact O-N 3.12Å; Q438-Q441 HydrophobicContact CB-CB 4.39Å; Q438-Q441 HydrophobicContact CB-CG 4.22Å; Q438-Q441 PolarHBondContact O-N 2.83Å; Q438-Q441 VanDerWaalsContact OE1-CD 3.23Å
439K64.1Low71.7Confident182 Ų18265.3 Ų65.379%0.79135%0.349SS*.G310 helixtrans-59.6-28.7-168.8-71.8-177.7-179172.50112L437 Q441L437-K439 PolarHBondContact O-N 3.29Å; K439-Q441 VanDerWaalsContact C-N 3.32Å
440D69.7Low72.7Confident130 Ų13070.1 Ų70.170%0.69537%0.365SS*.G310 helixtrans-68.5-23.517657-55.1000114Q438Q438-D440 VanDerWaalsContact C-OD1 3.24Å; Q438-D440 WeakPolarHBondContact CB-OD1 3.23Å; Q438-D440 PolarHBondContact O-N 2.77Å; Q438-D440 VanDerWaalsContact O-N 3.12Å
441Q74.4Confident73.9Confident86 Ų8670.2 Ų70.240%0.40237%0.365SS..G310 helixtrans-101.3-3-179.6-57.6-167200113.7Q438 K439 T443 F453Q438-Q441 HydrophobicContact CB-CB 4.39Å; Q438-Q441 HydrophobicContact CB-CG 4.22Å; Q438-Q441 PolarHBondContact O-N 2.83Å; Q438-Q441 VanDerWaalsContact OE1-CD 3.23Å; K439-Q441 VanDerWaalsContact C-N 3.32Å; Q441-T443 PolarHBondContact O-N 2.9Å; Q441-F453 HydrophobicContact CB-CB 4.37Å; Q441-F453 HydrophobicContact CB-CD2 3.78Å; Q441-F453 HydrophobicContact CB-CE2 4.2Å; Q441-F453 HydrophobicContact CB-CG 4.01Å; Q441-F453 WeakPolarHBondContact O-CB 3.27Å
442I82.9Confident74.8Confident59 Ų5968.3 Ų68.330%0.30336%0.358SS..  trans-69.1127-178.9-63.1177.3000110.4L437 T444 F453 Q455L437-I442 HydrophobicContact CB-CD1 4.05Å; L437-I442 HydrophobicContact CB-CG1 4.49Å; I442-T444 HydrophobicContact CG2-CG2 4.49Å; I442-F453 WeakPolarHBondContact CA-O 3.41Å; I442-Q455 HydrophobicContact CG2-CB 3.77Å; I442-Q455 HydrophobicContact CG2-CG 3.89Å
443T86.2Confident75.8Confident31 Ų3169.6 Ų69.619%0.1936%0.363CS..BIsolated β-bridgetrans-118.6141.4175.551.60000110.3Q441 C446 F453 Y454 Q455Q441-T443 PolarHBondContact O-N 2.9Å; T443-C446 WeakPolarHBondContact CB-O 3.35Å; T443-C446 PolarHBondContact OG1-O 2.9Å; T443-C446 VanDerWaalsContact OG1-O 3.04Å; T443-F453 PolarHBondContact N-O 3.09Å; T443-Y454 CarbonylContact O-C 3.55Å; T443-Y454 WeakPolarHBondContact O-CA 3.49Å; T443-Q455 PolarHBondContact O-N 2.9Å
444T87Confident77.3Confident84 Ų8467.6 Ų67.652%0.51535%0.35SS..SBendtrans-119.1-22.4-174.655.40000114I442 Y454 G456I442-T444 HydrophobicContact CG2-CG2 4.49Å; T444-Y454 WeakPolarHBondContact O-CE2 3.2Å; T444-G456 WeakPolarHBondContact O-CA 3.5Å
445T85.9Confident78.8Confident109 Ų10967.4 Ų67.467%0.66935%0.349SS*.SBendtrans-111.8-30-175.152.30000113.5P522T445-P522 WeakPolarHBondContact O-CG 3.28Å
446C87.8Confident80.4Confident27 Ų2764 Ų6418%0.18233%0.329CS..SBendtrans-133.5166.9175.1600000109.2T443 Y454 P522 C524T443-C446 WeakPolarHBondContact CB-O 3.35Å; T443-C446 PolarHBondContact OG1-O 2.9Å; T443-C446 VanDerWaalsContact OG1-O 3.04Å; C446-Y454 VanDerWaalsContact O-CD2 3.28Å; C446-Y454 WeakPolarHBondContact O-CD2 3.36Å; C446-P522 CarbonylContact C-O 3.58Å; C446-P522 WeakPolarHBondContact CA-O 3.41Å; C446-P522 HydrophobicContact CB-CG 4.25Å; C446-P522 VanDerWaalsContact CB-O 3.26Å; C446-P522 WeakPolarHBondContact CB-O 3.41Å; C446-C524 HydrophobicContact CB-CB 4.02Å; C446-C524 WeakPolarHBondContact CB-SG 3.44Å; C446-C524 WeakPolarHBondContact SG-CA 3.14Å; C446-C524 WeakPolarHBondContact SG-CB 3.47Å; C446-C524 CovalentContact SG-SG 2.05Å; C446-C524 PolarHBondContact SG-SG 3.29Å
447Y89.8Confident82Confident5 Ų567.4 Ų67.42%0.0233%0.331CS..BIsolated β-bridgetrans-109.1135.7172.277.7-89.5000110.8G449 K504 P505 V521 P522 R523 C524Y447-G449 WeakPolarHBondContact CE2-O 3.39Å; Y447-K504 HydrophobicContact CE1-CD 4.42Å; Y447-K504 HydrophobicContact CE1-CG 4.43Å; Y447-K504 HydrophobicContact CE2-CG 4.17Å; Y447-K504 WeakPolarHBondContact OH-CD 3.32Å; Y447-K504 VanDerWaalsContact OH-CE 3.23Å; Y447-K504 WeakPolarHBondContact OH-CE 3.48Å; Y447-K504 WeakPolarHBondContact OH-CG 3.46Å; Y447-P505 HydrophobicContact CD1-CG 4.09Å; Y447-P505 HydrophobicContact CG-CG 3.87Å; Y447-V521 HydrophobicContact CD1-CB 3.98Å; Y447-V521 HydrophobicContact CD1-CG1 3.85Å; Y447-V521 WeakPolarHBondContact CD1-O 3.45Å; Y447-V521 WeakPolarHBondContact CE1-O 3.49Å; Y447-P522 WeakPolarHBondContact CD1-O 3.34Å; Y447-P522 PolarHBondContact N-O 3.1Å; Y447-R523 HydrophobicContact CD2-CG 4.44Å; Y447-R523 HydrophobicContact CE1-CB 4.02Å; Y447-R523 HydrophobicContact CE1-CG 4.42Å; Y447-R523 HydrophobicContact CE2-CB 4.39Å; Y447-R523 HydrophobicContact CE2-CG 3.91Å; Y447-R523 CarbonylContact O-C 3.58Å; Y447-R523 WeakPolarHBondContact O-CA 3.48Å; Y447-C524 PolarHBondContact O-N 3.16Å
448D83.6Confident83.6Confident78 Ų7867.7 Ų67.742%0.41733%0.334SS..  trans-98.3152.6169.5-168.223.5000111.3R450 G451 C524D448-R450 PolarHBondContact O-N 2.97Å; D448-R450 VanDerWaalsContact O-N 3.1Å; D448-G451 WeakPolarHBondContact O-CA 3.45Å; D448-G451 PolarHBondContact O-N 2.84Å; D448-C524 HydrophobicContact CB-CB 4.33Å
449G84.6Confident85Confident30 Ų3065.4 Ų65.431%0.30933%0.325SS..THydrogen-bonded Turntrans56.3-114.4-174.900000111.8Y447 R523Y447-G449 WeakPolarHBondContact CE2-O 3.39Å; G449-R523 VanDerWaalsContact O-CZ 3.31Å; G449-R523 PolarHBondContact O-NH2 3.05Å; G449-R523 VanDerWaalsContact O-NH2 3.15Å
450R84.8Confident86.3Confident119 Ų11959.7 Ų59.745%0.44930%0.302SS..THydrogen-bonded Turntrans-97.9-4.8174.3-68.3-175.5-178.3-150.9-8.4113.5D448 N497 G500 S502 D503 K504D448-R450 PolarHBondContact O-N 2.97Å; D448-R450 VanDerWaalsContact O-N 3.1Å; R450-N497 PolarHBondContact O-ND2 2.7Å; R450-G500 WeakPolarHBondContact CD-O 3.38Å; R450-S502 WeakPolarHBondContact CB-O 3.39Å; R450-D503 IonicContact CZ-OD1 3.08Å; R450-K504 WeakPolarHBondContact O-CA 3.31Å
451G85Confident87.5Confident1 Ų153.7 Ų53.71%0.0127%0.27CS..  trans83.626.9179.400000115.6D448 F453 Y454 N497D448-G451 WeakPolarHBondContact O-CA 3.45Å; D448-G451 PolarHBondContact O-N 2.84Å; G451-F453 PolarHBondContact O-N 3.46Å; G451-Y454 WeakPolarHBondContact O-CB 3.41Å; G451-Y454 PolarHBondContact O-N 2.58Å; G451-N497 WeakPolarHBondContact O-CB 3.27Å
452R84.4Confident88.3Confident50 Ų5057.6 Ų57.619%0.18928%0.281CS..THydrogen-bonded Turntrans-54.4-50.2175.2179.7180173.8-155.7-5.6112.2Y454 E487R452-Y454 VanDerWaalsContact C-N 3.26Å; R452-Y454 PolarHBondContact O-N 3.11Å; R452-E487 HydrophobicContact CG-CG 4.24Å; R452-E487 IonicContact CZ-OE1 2.99Å; R452-E487 IonicContact NE-OE1 3.89Å; R452-E487 PolarHBondContact NE-OE1 3.3Å; R452-E487 IonicContact NH2-OE1 2.65Å; R452-E487 PolarHBondContact NH2-OE1 3.25Å; R452-E487 WeakPolarHBondContact O-CG 3.33Å
453F86.4Confident88.7Confident36 Ų3658.5 Ų58.516%0.15829%0.293CS..THydrogen-bonded Turntrans-88.913-176.5-53.9-69.1000113.7L437 Q441 I442 T443 G451 Q455L437-F453 HydrophobicContact CD2-CD1 4.01Å; Q441-F453 HydrophobicContact CB-CB 4.37Å; Q441-F453 HydrophobicContact CB-CD2 3.78Å; Q441-F453 HydrophobicContact CB-CE2 4.2Å; Q441-F453 HydrophobicContact CB-CG 4.01Å; Q441-F453 WeakPolarHBondContact O-CB 3.27Å; I442-F453 WeakPolarHBondContact CA-O 3.41Å; T443-F453 PolarHBondContact N-O 3.09Å; G451-F453 PolarHBondContact O-N 3.46Å; F453-Q455 PolarHBondContact O-N 2.87Å
454Y90.1Very high88.9Confident2 Ų259.6 Ų59.61%0.00831%0.311CS..BIsolated β-bridgetrans-70.4116.8176.9178-105000110.2T443 T444 C446 G451 R452 G456 V458 C495 R496 P505 V521T443-Y454 CarbonylContact O-C 3.55Å; T443-Y454 WeakPolarHBondContact O-CA 3.49Å; T444-Y454 WeakPolarHBondContact O-CE2 3.2Å; C446-Y454 VanDerWaalsContact O-CD2 3.28Å; C446-Y454 WeakPolarHBondContact O-CD2 3.36Å; G451-Y454 WeakPolarHBondContact O-CB 3.41Å; G451-Y454 PolarHBondContact O-N 2.58Å; R452-Y454 VanDerWaalsContact C-N 3.26Å; R452-Y454 PolarHBondContact O-N 3.11Å; Y454-G456 VanDerWaalsContact CZ-CA 3.45Å; Y454-G456 WeakPolarHBondContact OH-CA 3.46Å; Y454-V458 VanDerWaalsContact OH-CG2 3.28Å; Y454-V458 WeakPolarHBondContact OH-CG2 3.37Å; Y454-C495 WeakPolarHBondContact CD1-O 3.31Å; Y454-R496 VanDerWaalsContact O-CD 3.25Å; Y454-R496 WeakPolarHBondContact O-CD 3.4Å; Y454-P505 HydrophobicContact CD1-CB 4.03Å; Y454-P505 HydrophobicContact CD1-CG 3.98Å; Y454-P505 HydrophobicContact CG-CG 4.12Å; Y454-V521 HydrophobicContact CD1-CG2 4.47Å; Y454-V521 HydrophobicContact CD2-CG1 3.97Å; Y454-V521 HydrophobicContact CE1-CG1 4.09Å; Y454-V521 HydrophobicContact CE1-CG2 3.76Å; Y454-V521 HydrophobicContact CE2-CG1 3.46Å; Y454-V521 VanDerWaalsContact CE2-CG1 3.46Å; Y454-V521 HydrophobicContact CG-CG1 4.45Å
455Q90.4Very high89.2Confident35 Ų3557 Ų5716%0.16429%0.293CS..  trans-118.325.6179.3-67.7-62-23.200112.6I442 T443 F453 E487 R496I442-Q455 HydrophobicContact CG2-CB 3.77Å; I442-Q455 HydrophobicContact CG2-CG 3.89Å; T443-Q455 PolarHBondContact O-N 2.9Å; F453-Q455 PolarHBondContact O-N 2.87Å; Q455-E487 PolarHBondContact NE2-O 2.93Å; Q455-R496 PolarHBondContact O-NH2 2.72Å; Q455-R496 VanDerWaalsContact OE1-CZ 3.23Å
456G88.8Confident89.6Confident1 Ų155.7 Ų55.71%0.0128%0.28CS..  trans-70.6177.3178.400000114.8T444 Y454 R496T444-G456 WeakPolarHBondContact O-CA 3.5Å; Y454-G456 VanDerWaalsContact CZ-CA 3.45Å; Y454-G456 WeakPolarHBondContact OH-CA 3.46Å; G456-R496 PolarHBondContact O-NH1 2.61Å; G456-R496 PolarHBondContact O-NH2 3.32Å
457R92.1Very high89.9Confident215 Ų21554.6 Ų54.681%0.81127%0.272SS*.  trans-101.810.1-174.8-62.7-176.2-178.6178.6-0.1114.6N459 H494R457-N459 PolarHBondContact O-N 3.4Å; R457-H494 WeakPolarHBondContact CA-CD2 3.49Å; R457-H494 PolarHBondContact O-CD2 3.15Å
458V92.9Very high90.1Very high47 Ų4754.6 Ų54.629%0.28527%0.272SS..  trans-65.3126.5175.5176.80000108.4Y454 H494 C495 C519 V521Y454-V458 VanDerWaalsContact OH-CG2 3.28Å; Y454-V458 WeakPolarHBondContact OH-CG2 3.37Å; V458-H494 CarbonylContact O-C 3.48Å; V458-H494 VanDerWaalsContact O-CA 3.26Å; V458-H494 WeakPolarHBondContact O-CA 3.4Å; V458-C495 PolarHBondContact O-N 3.47Å; V458-C495 PolarHBondContact O-SG 3.11Å; V458-C519 HydrophobicContact CG1-CB 4.2Å; V458-V521 HydrophobicContact CB-CG2 4.13Å; V458-V521 HydrophobicContact CG1-CG2 4.19Å; V458-V521 HydrophobicContact CG2-CG2 4.26Å
459N93.2Very high90.5Very high46 Ų4653 Ų5325%0.24627%0.266CS..  trans-131.622.6-179.265-8.5000112.9R457 Q466 C467 N493R457-N459 PolarHBondContact O-N 3.4Å; N459-Q466 PolarHBondContact O-OE1 3.31Å; N459-C467 VanDerWaalsContact O-CB 3.3Å; N459-C467 WeakPolarHBondContact O-CB 3.44Å; N459-C467 PolarHBondContact O-N 2.77Å; N459-C467 PolarHBondContact O-SG 3.45Å; N459-N493 VanDerWaalsContact CB-O 3.27Å; N459-N493 WeakPolarHBondContact CB-O 3.43Å; N459-N493 WeakPolarHBondContact CB-OD1 3.46Å; N459-N493 PolarHBondContact ND2-ND2 3.14Å; N459-N493 PolarHBondContact ND2-OD1 3.2Å
460I93Very high90.6Very high62 Ų6251.6 Ų51.632%0.31825%0.252SS..BIsolated β-bridgetrans-128.7137.8178.4-58.4172.2000108.1G464 I465 Q466I460-G464 VanDerWaalsContact CG2-CA 3.49Å; I460-G464 WeakPolarHBondContact CG2-O 3.44Å; I460-I465 WeakPolarHBondContact CA-O 3.2Å; I460-Q466 VanDerWaalsContact CG1-NE2 3.34Å
461T93.6Very high90.5Very high4 Ų450.7 Ų50.73%0.02526%0.256CS..BIsolated β-bridgetrans-70.5167175.960.40000111.4S463 G464 I465 T509 E517T461-S463 PolarHBondContact O-N 2.89Å; T461-S463 VanDerWaalsContact O-N 3.16Å; T461-G464 PolarHBondContact O-N 3.07Å; T461-I465 HydrophobicContact CG2-CB 4.43Å; T461-I465 WeakPolarHBondContact CG2-O 3.33Å; T461-I465 PolarHBondContact N-O 2.78Å; T461-I465 WeakPolarHBondContact OG1-CA 3.34Å; T461-I465 WeakPolarHBondContact OG1-CB 2.92Å; T461-I465 PolarHBondContact OG1-N 2.83Å; T461-I465 PolarHBondContact OG1-O 2.92Å; T461-T509 HydrophobicContact CG2-CG2 3.94Å; T461-E517 WeakPolarHBondContact CB-OE2 2.9Å; T461-E517 HydrophobicContact CG2-CB 3.76Å; T461-E517 HydrophobicContact CG2-CG 4.48Å; T461-E517 PolarHBondContact OG1-OE2 3.34Å
462R92.4Very high90.6Very high168 Ų16856.4 Ų56.463%0.63428%0.28SS*.THydrogen-bonded Turntrans-59.1-26176.268.2-179.6-179.2179.1-0.1113.7G464 E517 Y518R462-G464 VanDerWaalsContact C-N 3.33Å; R462-E517 HydrophobicContact CG-CG 4.13Å; R462-E517 WeakPolarHBondContact CG-OE1 3.46Å; R462-E517 IonicContact CZ-OE1 3.6Å; R462-E517 IonicContact NE-OE1 2.91Å; R462-E517 PolarHBondContact NE-OE1 2.92Å; R462-E517 IonicContact NH2-OE1 3.38Å; R462-Y518 PolarHBondContact N-O 2.72Å
463S90.3Very high90.7Very high78 Ų7858.1 Ų58.155%0.54529%0.291SS..THydrogen-bonded Turntrans-927.2179.2-570000112.9T461 E517T461-S463 PolarHBondContact O-N 2.89Å; T461-S463 VanDerWaalsContact O-N 3.16Å; S463-E517 VanDerWaalsContact CB-OE2 3.23Å; S463-E517 WeakPolarHBondContact CB-OE2 2.91Å; S463-E517 VanDerWaalsContact OG-CD 3.29Å; S463-E517 PolarHBondContact OG-OE1 3.42Å; S463-E517 PolarHBondContact OG-OE2 2.85Å
464G91.7Very high90.4Very high54 Ų5461.9 Ų61.956%0.55732%0.316SS*.SBendtrans87.24.6175.900000115.2I460 T461 R462I460-G464 VanDerWaalsContact CG2-CA 3.49Å; I460-G464 WeakPolarHBondContact CG2-O 3.44Å; T461-G464 PolarHBondContact O-N 3.07Å; R462-G464 VanDerWaalsContact C-N 3.33Å
465I92.6Very high90.2Very high29 Ų2964.1 Ų64.115%0.14933%0.331CS..PPolyproline II helixtrans-81.5133.4-179.5-46.5171.8000109.8I460 T461 T509 D511 I514I460-I465 WeakPolarHBondContact CA-O 3.2Å; T461-I465 HydrophobicContact CG2-CB 4.43Å; T461-I465 WeakPolarHBondContact CG2-O 3.33Å; T461-I465 PolarHBondContact N-O 2.78Å; T461-I465 WeakPolarHBondContact OG1-CA 3.34Å; T461-I465 WeakPolarHBondContact OG1-CB 2.92Å; T461-I465 PolarHBondContact OG1-N 2.83Å; T461-I465 PolarHBondContact OG1-O 2.92Å; I465-T509 HydrophobicContact CG2-CG2 4.48Å; I465-D511 HydrophobicContact CG2-CB 4.07Å; I465-I514 HydrophobicContact CD1-CB 4.27Å; I465-I514 HydrophobicContact CD1-CD1 3.4Å; I465-I514 VanDerWaalsContact CD1-CD1 3.4Å; I465-I514 HydrophobicContact CD1-CG1 4.4Å; I465-I514 HydrophobicContact CD1-CG2 4.22Å
466Q94.1Very high90.1Very high83 Ų8363.1 Ų63.139%0.38833%0.326SS..BIsolated β-bridgetrans-63.3142.5175.2-77.7-71.7-26.600111.4N459 I460 T509 S510N459-Q466 PolarHBondContact O-OE1 3.31Å; I460-Q466 VanDerWaalsContact CG1-NE2 3.34Å; Q466-T509 CarbonylContact O-C 3.54Å; Q466-S510 PolarHBondContact O-N 2.93Å; Q466-S510 PolarHBondContact O-OG 3.17Å
467C95Very high89.8Confident4 Ų470 Ų703%0.02736%0.358CS..BIsolated β-bridgetrans-77136.9175.2-66.20000111.1N459 N493 C507 Y508N459-C467 VanDerWaalsContact O-CB 3.3Å; N459-C467 WeakPolarHBondContact O-CB 3.44Å; N459-C467 PolarHBondContact O-N 2.77Å; N459-C467 PolarHBondContact O-SG 3.45Å; C467-N493 HydrophobicContact CB-CB 4.31Å; C467-N493 WeakPolarHBondContact CB-O 3.16Å; C467-N493 WeakPolarHBondContact O-CB 3.47Å; C467-N493 PolarHBondContact O-ND2 3.25Å; C467-C507 VanDerWaalsContact CA-SG 3.55Å; C467-C507 HydrophobicContact CB-CB 3.54Å; C467-C507 WeakPolarHBondContact CB-SG 3.3Å; C467-C507 WeakPolarHBondContact SG-CB 3.43Å; C467-C507 CovalentContact SG-SG 2.02Å; C467-C507 PolarHBondContact SG-SG 2.75Å; C467-Y508 CarbonylContact C-O 3.57Å; C467-Y508 WeakPolarHBondContact CA-O 3.33Å
468Q92.4Very high89.1Confident4 Ų460.4 Ų60.42%0.01932%0.322CS..PPolyproline II helixtrans-66.4136.1165.1174.5-176.4-40.300109.1W470 K472 H476 Y508Q468-W470 PolarHBondContact O-N 2.86Å; Q468-K472 HydrophobicContact CG-CB 4.36Å; Q468-K472 PolarHBondContact NE2-O 2.92Å; Q468-H476 PolarHBondContact NE2-O 3.29Å; Q468-Y508 PolarHBondContact N-O 2.91Å
469P92Very high88Confident45 Ų4567.9 Ų67.929%0.29235%0.345SS..PPolyproline II helixtrans-60136.1173-19.529.6000112.1N471 K472 N492 N493P469-N471 WeakPolarHBondContact CB-OD1 3.25Å; P469-N471 PolarHBondContact O-N 2.8Å; P469-K472 HydrophobicContact CB-CB 4.39Å; P469-K472 HydrophobicContact CB-CG 3.86Å; P469-K472 HydrophobicContact CG-CG 3.97Å; P469-K472 PolarHBondContact O-N 2.83Å; P469-N492 WeakPolarHBondContact CA-O 3.39Å; P469-N493 HydrophobicContact CB-CB 4.21Å; P469-N493 HydrophobicContact CG-CB 4.06Å
470W87.1Confident86.9Confident1 Ų166.7 Ų66.70%0.00434%0.339CS..THydrogen-bonded Turntrans-65.4-12-176.8-67.198.9000114.3Q468 H478 L480 V482 L488 N492 H494 R496 P498 W506 C507 Y508Q468-W470 PolarHBondContact O-N 2.86Å; W470-H478 PolarHBondContact O-CE1 3Å; W470-H478 PolarHBondContact O-NE2 3.41Å; W470-L480 HydrophobicContact CE3-CD1 4.15Å; W470-L480 HydrophobicContact CZ3-CD1 3.64Å; W470-V482 HydrophobicContact CB-CG1 3.56Å; W470-V482 WeakPolarHBondContact O-CG1 3.25Å; W470-L488 HydrophobicContact CD2-CD1 4.33Å; W470-L488 HydrophobicContact CD2-CD2 3.72Å; W470-L488 HydrophobicContact CE3-CD1 3.97Å; W470-L488 HydrophobicContact CE3-CD2 3.98Å; W470-L488 HydrophobicContact CG-CD2 4.09Å; W470-L488 HydrophobicContact CH2-CD2 4.44Å; W470-L488 HydrophobicContact CZ2-CD2 4.2Å; W470-L488 HydrophobicContact CZ3-CD2 4.33Å; W470-N492 PolarHBondContact N-O 2.53Å; W470-H494 PolarHBondContact NE1-O 2.99Å; W470-R496 HydrophobicContact CZ2-CB 3.85Å; W470-P498 HydrophobicContact CH2-CG 4.49Å; W470-W506 HydrophobicContact CH2-CD2 4.2Å; W470-W506 AromaticContact CH2-CE3 3.99Å; W470-W506 HydrophobicContact CH2-CE3 3.99Å; W470-W506 AromaticContact CH2-CH2 3.74Å; W470-W506 HydrophobicContact CH2-CH2 3.74Å; W470-W506 AromaticContact CH2-CZ2 3.95Å; W470-W506 HydrophobicContact CH2-CZ2 3.95Å; W470-W506 AromaticContact CH2-CZ3 3.75Å; W470-W506 HydrophobicContact CH2-CZ3 3.75Å; W470-W506 WeakPolarHBondContact CZ2-O 3.34Å; W470-W506 AromaticContact CZ3-CH2 3.81Å; W470-W506 HydrophobicContact CZ3-CH2 3.81Å; W470-W506 HydrophobicContact CZ3-CZ2 4.27Å; W470-W506 HydrophobicContact CZ3-CZ3 4.06Å; W470-C507 HydrophobicContact CZ2-CB 4.26Å; W470-Y508 HydrophobicContact CE3-CD2 4.09Å; W470-Y508 HydrophobicContact CE3-CE2 4.15Å; W470-Y508 AromaticContact CZ3-CD2 3.82Å; W470-Y508 HydrophobicContact CZ3-CD2 3.82Å; W470-Y508 AromaticContact CZ3-CE2 3.71Å; W470-Y508 HydrophobicContact CZ3-CE2 3.71Å
471N84Confident85.9Confident100 Ų10065.2 Ų65.254%0.53533%0.334SS..THydrogen-bonded Turntrans-98.41.2174.766.3-3.7000113.3P469 V482P469-N471 WeakPolarHBondContact CB-OD1 3.25Å; P469-N471 PolarHBondContact O-N 2.8Å; N471-V482 HydrophobicContact CB-CG1 4.14Å; N471-V482 HydrophobicContact CB-CG2 3.9Å
472K85.9Confident84.8Confident120 Ų12066.3 Ų66.352%0.52234%0.341SS..  trans-101.7143.1177.9-65.9-65-176.8-178.30109.9Q468 P469 H478Q468-K472 HydrophobicContact CG-CB 4.36Å; Q468-K472 PolarHBondContact NE2-O 2.92Å; P469-K472 HydrophobicContact CB-CB 4.39Å; P469-K472 HydrophobicContact CB-CG 3.86Å; P469-K472 HydrophobicContact CG-CG 3.97Å; P469-K472 PolarHBondContact O-N 2.83Å; K472-H478 PolarHBondContact O-NE2 3.17Å
473Q86.9Confident83.4Confident87 Ų8763.3 Ų63.341%0.40734%0.337SS..  trans-101.711.3178.8-67.1-66.6-25.200112.8H476 Q477 H478Q473-H476 CarbonylContact C-O 3.55Å; Q473-H476 CarbonylContact O-C 3.5Å; Q473-Q477 HydrophobicContact CB-CG 4.4Å; Q473-Q477 VanDerWaalsContact O-CG 3.27Å; Q473-Q477 WeakPolarHBondContact O-CG 2.9Å; Q473-Q477 PolarHBondContact O-N 2.96Å; Q473-Q477 VanDerWaalsContact OE1-CA 3.26Å; Q473-H478 PolarHBondContact NE2-O 3.29Å; Q473-H478 PolarHBondContact OE1-O 3.35Å; Q473-H478 VanDerWaalsContact OE1-O 3.13Å
474V80.5Confident82.2Confident115 Ų11560.1 Ų60.170%0.69731%0.314SS*.SBendtrans-138.2136.1-175.1-179.10000108.5
475P85.8Confident81.5Confident48 Ų4857.7 Ų57.731%0.31229%0.289SS..SBendcis-71.7-24.30.628.2-35.6000114.9P512P475-P512 HydrophobicContact CB-CB 4.17Å; P475-P512 HydrophobicContact CB-CG 4.05Å
476H86.9Confident80.6Confident15 Ų1557 Ų577%0.06929%0.286CS..SBendtrans-104.7119.3-175.9-58.4-63.1000112Q468 Q473 Y508 T509 D511 P512 I514 R515Q468-H476 PolarHBondContact NE2-O 3.29Å; Q473-H476 CarbonylContact C-O 3.55Å; Q473-H476 CarbonylContact O-C 3.5Å; H476-Y508 HydrophobicContact CB-CD1 4.06Å; H476-T509 PolarHBondContact CD2-O 3.31Å; H476-T509 VanDerWaalsContact CD2-O 3.27Å; H476-D511 PolarHBondContact NE2-O 2.89Å; H476-P512 PolarHBondContact CE1-O 3.04Å; H476-P512 VanDerWaalsContact CE1-O 3.3Å; H476-I514 PolarHBondContact NE2-O 3.3Å; H476-R515 HydrophobicContact CB-CG 4.32Å; H476-R515 PolarHBondContact CD2-O 3.41Å; H476-R515 VanDerWaalsContact CD2-O 3.23Å; H476-R515 VanDerWaalsContact CE1-CA 3.44Å; H476-R515 WeakPolarHBondContact CE1-CA 3.37Å; H476-R515 WeakPolarHBondContact NE2-CA 3.37Å
477Q82.6Confident80Confident146 Ų14653.1 Ų53.168%0.68227%0.268SS*.  trans-72137.6170.8-67.7-178.3-0.400111.1Q473 R515Q473-Q477 HydrophobicContact CB-CG 4.4Å; Q473-Q477 VanDerWaalsContact O-CG 3.27Å; Q473-Q477 WeakPolarHBondContact O-CG 2.9Å; Q473-Q477 PolarHBondContact O-N 2.96Å; Q473-Q477 VanDerWaalsContact OE1-CA 3.26Å; Q477-R515 PolarHBondContact O-NH2 3.47Å
478H78Confident79.4Confident13 Ų1352.9 Ų52.96%0.0627%0.267CS..  trans-148158.117865.469000113W470 K472 Q473 L480 Y508W470-H478 PolarHBondContact O-CE1 3Å; W470-H478 PolarHBondContact O-NE2 3.41Å; K472-H478 PolarHBondContact O-NE2 3.17Å; Q473-H478 PolarHBondContact NE2-O 3.29Å; Q473-H478 PolarHBondContact OE1-O 3.35Å; Q473-H478 VanDerWaalsContact OE1-O 3.13Å; H478-L480 PolarHBondContact CE1-O 3.14Å; H478-L480 PolarHBondContact ND1-N 3.4Å; H478-L480 PolarHBondContact ND1-O 3.28Å; H478-L480 VanDerWaalsContact ND1-O 3.16Å; H478-Y508 HydrophobicContact CB-CD2 4.45Å; H478-Y508 HydrophobicContact CB-CE1 4.25Å; H478-Y508 HydrophobicContact CB-CE2 3.58Å; H478-Y508 VanDerWaalsContact CB-CZ 3.47Å; H478-Y508 WeakPolarHBondContact CB-OH 3.4Å; H478-Y508 AromaticContact CD2-CD2 3.47Å; H478-Y508 VanDerWaalsContact CD2-CD2 3.47Å; H478-Y508 WeakPolarHBondContact CD2-CD2 3.16Å; H478-Y508 AromaticContact CD2-CE2 3.38Å; H478-Y508 WeakPolarHBondContact CD2-CE2 3.46Å; H478-Y508 AromaticContact CG-CE2 3.51Å; H478-Y508 AromaticContact CG-CZ 3.97Å
479R70.1Confident78.6Confident203 Ų20357.5 Ų57.577%0.76629%0.289SS*.  trans-91.7-4.4-176.4-62.3-177.6-179.2175.20.2114.9E379 S481E379-R479 IonicContact OE1-NH1 2.85Å; R479-S481 PolarHBondContact O-N 3.28Å
480L70.1Confident77.8Confident22 Ų2262.6 Ų62.612%0.11531%0.314CS..  trans-72.3119.2178.6-64.4168.1000110.5L380 W470 H478 V485 L488 P498 W506 Y508L380-L480 HydrophobicContact CD1-CD2 3.66Å; L380-L480 HydrophobicContact CD2-CD2 3.82Å; L380-L480 HydrophobicContact CG-CD2 4.32Å; W470-L480 HydrophobicContact CE3-CD1 4.15Å; W470-L480 HydrophobicContact CZ3-CD1 3.64Å; H478-L480 PolarHBondContact CE1-O 3.14Å; H478-L480 PolarHBondContact ND1-N 3.4Å; H478-L480 PolarHBondContact ND1-O 3.28Å; H478-L480 VanDerWaalsContact ND1-O 3.16Å; L480-V485 HydrophobicContact CD2-CG2 4.39Å; L480-L488 HydrophobicContact CB-CD1 3.87Å; L480-L488 HydrophobicContact CD1-CD1 4.36Å; L480-L488 HydrophobicContact CG-CD1 4.5Å; L480-P498 HydrophobicContact CD1-CG 4.03Å; L480-P498 HydrophobicContact CD2-CG 4.48Å; L480-W506 HydrophobicContact CD1-CH2 4.23Å; L480-W506 HydrophobicContact CD1-CZ2 4.49Å; L480-Y508 HydrophobicContact CD1-CE2 4.25Å
481S71.4Confident77.5Confident30 Ų3062.7 Ų62.721%0.2132%0.315CS..  trans-98.4123.4175.5177.90000110.2R479 D483 V484 V485R479-S481 PolarHBondContact O-N 3.28Å; S481-D483 PolarHBondContact O-N 3.33Å; S481-V484 PolarHBondContact O-N 2.84Å; S481-V484 VanDerWaalsContact O-N 3.15Å; S481-V485 PolarHBondContact O-N 2.81Å; S481-V485 VanDerWaalsContact O-N 3.07Å
482V71.9Confident77.6Confident27 Ų2762.9 Ų62.916%0.16432%0.316CS..THydrogen-bonded Turntrans-64.6-22.2-179.9-66.80000113W470 N471 V484 L488 M489W470-V482 HydrophobicContact CB-CG1 3.56Å; W470-V482 WeakPolarHBondContact O-CG1 3.25Å; N471-V482 HydrophobicContact CB-CG1 4.14Å; N471-V482 HydrophobicContact CB-CG2 3.9Å; V482-V484 VanDerWaalsContact C-N 3.31Å; V482-L488 HydrophobicContact CG1-CB 4.26Å; V482-M489 WeakPolarHBondContact O-CG 3.38Å
483D62.8Low77.9Confident106 Ų10658.7 Ų58.757%0.56730%0.299SS*.THydrogen-bonded Turntrans-85.2-9180-58.3-43.4000112.6S481S481-D483 PolarHBondContact O-N 3.33Å
484V65.5Low78.3Confident10 Ų1055.9 Ų55.96%0.06129%0.286CS..THydrogen-bonded Turntrans-114.4-35.8-174.7175.50000112.1E372 H373 A376 S481 V482 P486E372-V484 HydrophobicContact CB-CG2 4.1Å; H373-V484 WeakPolarHBondContact CD2-CG1 3.31Å; A376-V484 HydrophobicContact CB-CG1 4.2Å; S481-V484 PolarHBondContact O-N 2.84Å; S481-V484 VanDerWaalsContact O-N 3.15Å; V482-V484 VanDerWaalsContact C-N 3.31Å; V484-P486 WeakPolarHBondContact O-CD 3.5Å
485V75.8Confident78.9Confident3 Ų350.4 Ų50.42%0.01825%0.253CS..  trans-96.1109.6-177.4-176.40000109.8L380 L480 S481 E487 L488 M489 P498L380-V485 HydrophobicContact CD1-CG1 4.43Å; L380-V485 HydrophobicContact CD1-CG2 3.82Å; L480-V485 HydrophobicContact CD2-CG2 4.39Å; S481-V485 PolarHBondContact O-N 2.81Å; S481-V485 VanDerWaalsContact O-N 3.07Å; V485-E487 HydrophobicContact CG1-CB 4.36Å; V485-E487 VanDerWaalsContact CG1-OE2 3.25Å; V485-E487 WeakPolarHBondContact CG1-OE2 3.32Å; V485-E487 PolarHBondContact O-N 2.87Å; V485-L488 HydrophobicContact CB-CB 4.24Å; V485-L488 HydrophobicContact CB-CD1 3.98Å; V485-L488 HydrophobicContact CB-CG 4Å; V485-L488 HydrophobicContact CG1-CB 4.45Å; V485-L488 HydrophobicContact CG1-CD1 4.12Å; V485-L488 HydrophobicContact CG1-CG 3.84Å; V485-L488 HydrophobicContact CG2-CD1 4.39Å; V485-L488 PolarHBondContact O-N 2.94Å; V485-M489 PolarHBondContact O-N 3.45Å; V485-P498 HydrophobicContact CG1-CB 3.7Å
486P74.1Confident79.2Confident14 Ų1448.4 Ų48.49%0.09124%0.239CC..G310 helixtrans-56.7-37.2-175.5-25.334.9000113.2F434 L437 V484 L488 M489F434-P486 HydrophobicContact CB-CG 3.8Å; F434-P486 HydrophobicContact CD1-CG 3.66Å; F434-P486 HydrophobicContact CG-CG 3.86Å; L437-P486 HydrophobicContact CG-CB 4.12Å; V484-P486 WeakPolarHBondContact O-CD 3.5Å; P486-L488 PolarHBondContact O-N 2.85Å; P486-L488 VanDerWaalsContact O-N 3.14Å; P486-M489 PolarHBondContact O-N 2.87Å; P486-M489 VanDerWaalsContact O-N 3.15Å
487E82.1Confident79.3Confident2 Ų247.7 Ų47.71%0.00924%0.236CC..G310 helixtrans-61.8-22.5178.1-6285.8166.300112.9Y381 L437 R452 Q455 V485 R496Y381-E487 PolarHBondContact OH-OE2 2.93Å; Y381-E487 VanDerWaalsContact OH-OE2 3.06Å; L437-E487 HydrophobicContact CD2-CG 4.17Å; R452-E487 HydrophobicContact CG-CG 4.24Å; R452-E487 IonicContact CZ-OE1 2.99Å; R452-E487 IonicContact NE-OE1 3.89Å; R452-E487 PolarHBondContact NE-OE1 3.3Å; R452-E487 IonicContact NH2-OE1 2.65Å; R452-E487 PolarHBondContact NH2-OE1 3.25Å; R452-E487 WeakPolarHBondContact O-CG 3.33Å; Q455-E487 PolarHBondContact NE2-O 2.93Å; V485-E487 HydrophobicContact CG1-CB 4.36Å; V485-E487 VanDerWaalsContact CG1-OE2 3.25Å; V485-E487 WeakPolarHBondContact CG1-OE2 3.32Å; V485-E487 PolarHBondContact O-N 2.87Å; E487-R496 WeakPolarHBondContact O-CD 3.17Å; E487-R496 PolarHBondContact O-NE 3.36Å
488L81.7Confident79.4Confident0 Ų040.8 Ų40.80%020%0.203CC..G310 helixtrans-100-6.8-179.5-56.8-176.2000113.4W470 L480 V482 V485 P486 N490 S491 R496 P498W470-L488 HydrophobicContact CD2-CD1 4.33Å; W470-L488 HydrophobicContact CD2-CD2 3.72Å; W470-L488 HydrophobicContact CE3-CD1 3.97Å; W470-L488 HydrophobicContact CE3-CD2 3.98Å; W470-L488 HydrophobicContact CG-CD2 4.09Å; W470-L488 HydrophobicContact CH2-CD2 4.44Å; W470-L488 HydrophobicContact CZ2-CD2 4.2Å; W470-L488 HydrophobicContact CZ3-CD2 4.33Å; L480-L488 HydrophobicContact CB-CD1 3.87Å; L480-L488 HydrophobicContact CD1-CD1 4.36Å; L480-L488 HydrophobicContact CG-CD1 4.5Å; V482-L488 HydrophobicContact CG1-CB 4.26Å; V485-L488 HydrophobicContact CB-CB 4.24Å; V485-L488 HydrophobicContact CB-CD1 3.98Å; V485-L488 HydrophobicContact CB-CG 4Å; V485-L488 HydrophobicContact CG1-CB 4.45Å; V485-L488 HydrophobicContact CG1-CD1 4.12Å; V485-L488 HydrophobicContact CG1-CG 3.84Å; V485-L488 HydrophobicContact CG2-CD1 4.39Å; V485-L488 PolarHBondContact O-N 2.94Å; P486-L488 PolarHBondContact O-N 2.85Å; P486-L488 VanDerWaalsContact O-N 3.14Å; L488-N490 PolarHBondContact O-N 2.77Å; L488-S491 WeakPolarHBondContact O-CB 3.32Å; L488-S491 PolarHBondContact O-N 2Å; L488-S491 VanDerWaalsContact O-N 3.14Å; L488-S491 PolarHBondContact O-OG 2.98Å; L488-R496 HydrophobicContact CD2-CB 3.56Å; L488-R496 HydrophobicContact CD2-CG 3.79Å; L488-P498 HydrophobicContact CD1-CB 4.25Å; L488-P498 HydrophobicContact CD1-CG 4.39Å; L488-P498 HydrophobicContact CD2-CB 4.13Å; L488-P498 HydrophobicContact CD2-CG 4.12Å; L488-P498 HydrophobicContact CG-CB 4.1Å; L488-P498 HydrophobicContact CG-CG 4.48Å
489M75.4Confident79.2Confident100 Ų10040.5 Ų40.549%0.49320%0.204SC..THydrogen-bonded Turntrans-62.3132.2177-70.7-172.5110.100110.5V482 V485 P486 S491V482-M489 WeakPolarHBondContact O-CG 3.38Å; V485-M489 PolarHBondContact O-N 3.45Å; P486-M489 PolarHBondContact O-N 2.87Å; P486-M489 VanDerWaalsContact O-N 3.15Å; M489-S491 PolarHBondContact O-N 2.86Å
490N74.8Confident79.6Confident153 Ų15331.3 Ų31.382%0.81817%0.172SC*.THydrogen-bonded Turntrans54.521-176.7-57.4-42.6000114.4L488 N492L488-N490 PolarHBondContact O-N 2.77Å; N490-N492 VanDerWaalsContact C-N 3.33Å; N490-N492 PolarHBondContact O-N 3.12Å
491S81.4Confident79.8Confident2 Ų233.5 Ų33.51%0.01418%0.184CC..  trans-78.4-14.4-177.165.20000113.5L488 M489 N493 H494L488-S491 WeakPolarHBondContact O-CB 3.32Å; L488-S491 PolarHBondContact O-N 2Å; L488-S491 VanDerWaalsContact O-N 3.14Å; L488-S491 PolarHBondContact O-OG 2.98Å; M489-S491 PolarHBondContact O-N 2.86Å; S491-N493 PolarHBondContact O-N 2.81Å; S491-H494 VanDerWaalsContact O-CB 3.25Å; S491-H494 WeakPolarHBondContact O-CB 3.49Å; S491-H494 PolarHBondContact O-N 3.47Å; S491-H494 PolarHBondContact O-ND1 3.04Å
492N86.6Confident80.3Confident104 Ų10433 Ų3356%0.55618%0.18SC*.THydrogen-bonded Turntrans48.3-112.9-175.4-65.1-32000111.4P469 W470 N490P469-N492 WeakPolarHBondContact CA-O 3.39Å; W470-N492 PolarHBondContact N-O 2.53Å; N490-N492 VanDerWaalsContact C-N 3.33Å; N490-N492 PolarHBondContact O-N 3.12Å
493N91.3Very high80.9Confident32 Ų3236 Ų3617%0.17120%0.195CC..THydrogen-bonded Turntrans-113.618.1172.976.4-30.2000113.1N459 C467 P469 S491N459-N493 VanDerWaalsContact CB-O 3.27Å; N459-N493 WeakPolarHBondContact CB-O 3.43Å; N459-N493 WeakPolarHBondContact CB-OD1 3.46Å; N459-N493 PolarHBondContact ND2-ND2 3.14Å; N459-N493 PolarHBondContact ND2-OD1 3.2Å; C467-N493 HydrophobicContact CB-CB 4.31Å; C467-N493 WeakPolarHBondContact CB-O 3.16Å; C467-N493 WeakPolarHBondContact O-CB 3.47Å; C467-N493 PolarHBondContact O-ND2 3.25Å; P469-N493 HydrophobicContact CB-CB 4.21Å; P469-N493 HydrophobicContact CG-CB 4.06Å; S491-N493 PolarHBondContact O-N 2.81Å
494H94.6Very high82.2Confident29 Ų2935.5 Ų35.513%0.13419%0.188CC..  trans-74.9149.2180-52.6117.5000111.5R457 V458 W470 S491R457-H494 WeakPolarHBondContact CA-CD2 3.49Å; R457-H494 PolarHBondContact O-CD2 3.15Å; V458-H494 CarbonylContact O-C 3.48Å; V458-H494 VanDerWaalsContact O-CA 3.26Å; V458-H494 WeakPolarHBondContact O-CA 3.4Å; W470-H494 PolarHBondContact NE1-O 2.99Å; S491-H494 VanDerWaalsContact O-CB 3.25Å; S491-H494 WeakPolarHBondContact O-CB 3.49Å; S491-H494 PolarHBondContact O-N 3.47Å; S491-H494 PolarHBondContact O-ND1 3.04Å
495C93.6Very high83.5Confident0 Ų035 Ų350%019%0.185CC..  trans-62.8133.7177-57.40000111.5Y454 V458 P505 W506 C519Y454-C495 WeakPolarHBondContact CD1-O 3.31Å; V458-C495 PolarHBondContact O-N 3.47Å; V458-C495 PolarHBondContact O-SG 3.11Å; C495-P505 HydrophobicContact CB-CB 4.29Å; C495-W506 WeakPolarHBondContact CA-O 3.38Å; C495-C519 HydrophobicContact CB-CB 3.52Å; C495-C519 WeakPolarHBondContact CB-SG 3.31Å; C495-C519 WeakPolarHBondContact SG-CB 3.49Å; C495-C519 CovalentContact SG-SG 2Å; C495-C519 PolarHBondContact SG-SG 3.34Å
496R93Very high84.4Confident6 Ų635.5 Ų35.52%0.02319%0.187CC..BIsolated β-bridgetrans-139.1165.6-178.3-66.8-63.3-178.8-94.87.7109.9Y454 Q455 G456 W470 E487 L488 W506Y454-R496 VanDerWaalsContact O-CD 3.25Å; Y454-R496 WeakPolarHBondContact O-CD 3.4Å; Q455-R496 PolarHBondContact O-NH2 2.72Å; Q455-R496 VanDerWaalsContact OE1-CZ 3.23Å; G456-R496 PolarHBondContact O-NH1 2.61Å; G456-R496 PolarHBondContact O-NH2 3.32Å; W470-R496 HydrophobicContact CZ2-CB 3.85Å; E487-R496 WeakPolarHBondContact O-CD 3.17Å; E487-R496 PolarHBondContact O-NE 3.36Å; L488-R496 HydrophobicContact CD2-CB 3.56Å; L488-R496 HydrophobicContact CD2-CG 3.79Å; R496-W506 PolarHBondContact N-O 3.21Å; R496-W506 PolarHBondContact O-N 3.21Å
497N88.9Confident85.3Confident0 Ų034.9 Ų34.90%018%0.182CC..  trans-130.774.3168-168.89.3000109.4R450 G451 G499 G500 S502 W506R450-N497 PolarHBondContact O-ND2 2.7Å; G451-N497 WeakPolarHBondContact O-CB 3.27Å; N497-G499 PolarHBondContact O-N 3.06Å; N497-G500 PolarHBondContact O-N 3.38Å; N497-S502 PolarHBondContact ND2-O 2.97Å; N497-S502 WeakPolarHBondContact OD1-CB 3.34Å; N497-S502 PolarHBondContact OD1-N 2.9Å; N497-W506 PolarHBondContact OD1-NE1 3.39Å
498P83.5Confident85.9Confident0 Ų036 Ų360%019%0.187CC..G310 helixtrans-56.6129.6-177.223.6-33.1000110.8W470 L480 V485 L488 G500 W506W470-P498 HydrophobicContact CH2-CG 4.49Å; L480-P498 HydrophobicContact CD1-CG 4.03Å; L480-P498 HydrophobicContact CD2-CG 4.48Å; V485-P498 HydrophobicContact CG1-CB 3.7Å; L488-P498 HydrophobicContact CD1-CB 4.25Å; L488-P498 HydrophobicContact CD1-CG 4.39Å; L488-P498 HydrophobicContact CD2-CB 4.13Å; L488-P498 HydrophobicContact CD2-CG 4.12Å; L488-P498 HydrophobicContact CG-CB 4.1Å; L488-P498 HydrophobicContact CG-CG 4.48Å; P498-G500 PolarHBondContact O-N 3.24Å; P498-G500 VanDerWaalsContact O-N 3.07Å; P498-W506 HydrophobicContact CG-CZ2 4.25Å
499G74.6Confident86.4Confident7 Ų736 Ų367%0.07219%0.187CC..G310 helixtrans68-4.2-175.300000115.9N497 I501N497-G499 PolarHBondContact O-N 3.06Å; G499-I501 PolarHBondContact O-N 3.47Å
500G77.8Confident87.2Confident10 Ų1034.2 Ų34.210%0.10318%0.184CC..G310 helixtrans67.919-175.900000114.3R450 N497 P498 S502R450-G500 WeakPolarHBondContact CD-O 3.38Å; N497-G500 PolarHBondContact O-N 3.38Å; P498-G500 PolarHBondContact O-N 3.24Å; P498-G500 VanDerWaalsContact O-N 3.07Å; G500-S502 VanDerWaalsContact C-N 3.31Å; G500-S502 PolarHBondContact O-N 3.05Å
501I74.5Confident87.8Confident69 Ų6929.3 Ų29.335%0.35416%0.158SC..  trans-65.1-34-173.961178.6000112.7L380 G499L380-I501 HydrophobicContact CD2-CD1 3.95Å; L380-I501 WeakPolarHBondContact O-CG2 3.46Å; G499-I501 PolarHBondContact O-N 3.47Å
502S82.1Confident88.2Confident20 Ų2033.6 Ų33.614%0.1419%0.186CC..SBendtrans-91.8164.2179.3-610000111.3R450 N497 G500 K504 W506R450-S502 WeakPolarHBondContact CB-O 3.39Å; N497-S502 PolarHBondContact ND2-O 2.97Å; N497-S502 WeakPolarHBondContact OD1-CB 3.34Å; N497-S502 PolarHBondContact OD1-N 2.9Å; G500-S502 VanDerWaalsContact C-N 3.31Å; G500-S502 PolarHBondContact O-N 3.05Å; S502-K504 VanDerWaalsContact C-N 3.33Å; S502-K504 PolarHBondContact O-N 2.85Å; S502-W506 PolarHBondContact OG-NE1 3.17Å; S502-W506 VanDerWaalsContact OG-NE1 3.14Å
503D84.8Confident88.3Confident90 Ų9035.5 Ų35.548%0.48120%0.196SC..SBendtrans-75-20.9-177.6-65.9-37.1000114.3R450R450-D503 IonicContact CZ-OD1 3.08Å
504K89.1Confident88Confident94 Ų9437.1 Ų37.141%0.40920%0.204SC..SBendtrans-149.6162.7-177-56.1-172-179-171.50111Y447 R450 S502 W506 Y518Y447-K504 HydrophobicContact CE1-CD 4.42Å; Y447-K504 HydrophobicContact CE1-CG 4.43Å; Y447-K504 HydrophobicContact CE2-CG 4.17Å; Y447-K504 WeakPolarHBondContact OH-CD 3.32Å; Y447-K504 VanDerWaalsContact OH-CE 3.23Å; Y447-K504 WeakPolarHBondContact OH-CE 3.48Å; Y447-K504 WeakPolarHBondContact OH-CG 3.46Å; R450-K504 WeakPolarHBondContact O-CA 3.31Å; S502-K504 VanDerWaalsContact C-N 3.33Å; S502-K504 PolarHBondContact O-N 2.85Å; K504-W506 PolarHBondContact O-N 2.81Å; K504-Y518 HydrophobicContact CB-CD1 3.83Å; K504-Y518 HydrophobicContact CB-CE1 4.19Å
505P94.4Very high87.7Confident0 Ų041.6 Ų41.60%022%0.219CC..  trans-54.6135.5170.1-25.435000112.6Y447 Y454 C495 C519 V521Y447-P505 HydrophobicContact CD1-CG 4.09Å; Y447-P505 HydrophobicContact CG-CG 3.87Å; Y454-P505 HydrophobicContact CD1-CB 4.03Å; Y454-P505 HydrophobicContact CD1-CG 3.98Å; Y454-P505 HydrophobicContact CG-CG 4.12Å; C495-P505 HydrophobicContact CB-CB 4.29Å; P505-C519 PolarHBondContact O-N 3.1Å; P505-V521 HydrophobicContact CB-CB 4.45Å; P505-V521 HydrophobicContact CB-CG2 3.99Å; P505-V521 HydrophobicContact CG-CB 4.21Å; P505-V521 HydrophobicContact CG-CG1 4.42Å; P505-V521 HydrophobicContact CG-CG2 4.24Å
506W94Very high87.7Confident14 Ų1447 Ų475%0.05324%0.24CC..EExtended strand (participates in β ladder)trans-142.1173.3-175.264.3-84000110.6W470 L480 C495 R496 N497 P498 S502 K504 Y508 W516 E517 Y518W470-W506 HydrophobicContact CH2-CD2 4.2Å; W470-W506 AromaticContact CH2-CE3 3.99Å; W470-W506 HydrophobicContact CH2-CE3 3.99Å; W470-W506 AromaticContact CH2-CH2 3.74Å; W470-W506 HydrophobicContact CH2-CH2 3.74Å; W470-W506 AromaticContact CH2-CZ2 3.95Å; W470-W506 HydrophobicContact CH2-CZ2 3.95Å; W470-W506 AromaticContact CH2-CZ3 3.75Å; W470-W506 HydrophobicContact CH2-CZ3 3.75Å; W470-W506 WeakPolarHBondContact CZ2-O 3.34Å; W470-W506 AromaticContact CZ3-CH2 3.81Å; W470-W506 HydrophobicContact CZ3-CH2 3.81Å; W470-W506 HydrophobicContact CZ3-CZ2 4.27Å; W470-W506 HydrophobicContact CZ3-CZ3 4.06Å; L480-W506 HydrophobicContact CD1-CH2 4.23Å; L480-W506 HydrophobicContact CD1-CZ2 4.49Å; C495-W506 WeakPolarHBondContact CA-O 3.38Å; R496-W506 PolarHBondContact N-O 3.21Å; R496-W506 PolarHBondContact O-N 3.21Å; N497-W506 PolarHBondContact OD1-NE1 3.39Å; P498-W506 HydrophobicContact CG-CZ2 4.25Å; S502-W506 PolarHBondContact OG-NE1 3.17Å; S502-W506 VanDerWaalsContact OG-NE1 3.14Å; K504-W506 PolarHBondContact O-N 2.81Å; W506-Y508 HydrophobicContact CH2-CE1 4.47Å; W506-Y508 AromaticContact CH2-CE2 3.86Å; W506-Y508 HydrophobicContact CH2-CE2 3.86Å; W506-Y508 AromaticContact CH2-CZ 3.82Å; W506-Y508 HydrophobicContact CZ3-CD1 4.34Å; W506-Y508 HydrophobicContact CZ3-CD2 4.08Å; W506-Y508 HydrophobicContact CZ3-CE1 4.1Å; W506-Y508 AromaticContact CZ3-CE2 3.83Å; W506-Y508 HydrophobicContact CZ3-CE2 3.83Å; W506-Y508 HydrophobicContact CZ3-CG 4.31Å; W506-Y508 AromaticContact CZ3-CZ 3.83Å; W506-W516 HydrophobicContact CB-CE3 4.44Å; W506-W516 HydrophobicContact CE3-CB 3.98Å; W506-W516 HydrophobicContact CE3-CE3 4.26Å; W506-W516 HydrophobicContact CE3-CG 4.45Å; W506-W516 HydrophobicContact CZ3-CB 4.02Å; W506-W516 HydrophobicContact CZ3-CG 4.49Å; W506-E517 WeakPolarHBondContact CA-O 3.44Å; W506-E517 WeakPolarHBondContact CB-O 3.26Å; W506-Y518 HydrophobicContact CB-CD1 3.89Å; W506-Y518 HydrophobicContact CB-CE1 4.34Å
507C93.9Very high87.6Confident0 Ų047.5 Ų47.50%024%0.243CC..EExtended strand (participates in β ladder)trans-151.6159.7169.966.40000111.1C467 W470 W516 E517C467-C507 VanDerWaalsContact CA-SG 3.55Å; C467-C507 HydrophobicContact CB-CB 3.54Å; C467-C507 WeakPolarHBondContact CB-SG 3.3Å; C467-C507 WeakPolarHBondContact SG-CB 3.43Å; C467-C507 CovalentContact SG-SG 2.02Å; C467-C507 PolarHBondContact SG-SG 2.75Å; W470-C507 HydrophobicContact CZ2-CB 4.26Å; C507-W516 VanDerWaalsContact O-CA 3.31Å; C507-W516 WeakPolarHBondContact O-CA 3.5Å; C507-W516 WeakPolarHBondContact O-CB 3.29Å; C507-E517 PolarHBondContact N-O 3.32Å; C507-E517 VanDerWaalsContact N-O 3.1Å; C507-E517 PolarHBondContact O-N 3.45Å
508Y93.9Very high87.9Confident26 Ų2650.1 Ų50.110%0.10225%0.253CS..EExtended strand (participates in β ladder)trans-65.7142.4160.6-66.9-73.4000108.8C467 Q468 W470 H476 H478 L480 W506 R515 W516C467-Y508 CarbonylContact C-O 3.57Å; C467-Y508 WeakPolarHBondContact CA-O 3.33Å; Q468-Y508 PolarHBondContact N-O 2.91Å; W470-Y508 HydrophobicContact CE3-CD2 4.09Å; W470-Y508 HydrophobicContact CE3-CE2 4.15Å; W470-Y508 AromaticContact CZ3-CD2 3.82Å; W470-Y508 HydrophobicContact CZ3-CD2 3.82Å; W470-Y508 AromaticContact CZ3-CE2 3.71Å; W470-Y508 HydrophobicContact CZ3-CE2 3.71Å; H476-Y508 HydrophobicContact CB-CD1 4.06Å; H478-Y508 HydrophobicContact CB-CD2 4.45Å; H478-Y508 HydrophobicContact CB-CE1 4.25Å; H478-Y508 HydrophobicContact CB-CE2 3.58Å; H478-Y508 VanDerWaalsContact CB-CZ 3.47Å; H478-Y508 WeakPolarHBondContact CB-OH 3.4Å; H478-Y508 AromaticContact CD2-CD2 3.47Å; H478-Y508 VanDerWaalsContact CD2-CD2 3.47Å; H478-Y508 WeakPolarHBondContact CD2-CD2 3.16Å; H478-Y508 AromaticContact CD2-CE2 3.38Å; H478-Y508 WeakPolarHBondContact CD2-CE2 3.46Å; H478-Y508 AromaticContact CG-CE2 3.51Å; H478-Y508 AromaticContact CG-CZ 3.97Å; L480-Y508 HydrophobicContact CD1-CE2 4.25Å; W506-Y508 HydrophobicContact CH2-CE1 4.47Å; W506-Y508 AromaticContact CH2-CE2 3.86Å; W506-Y508 HydrophobicContact CH2-CE2 3.86Å; W506-Y508 AromaticContact CH2-CZ 3.82Å; W506-Y508 HydrophobicContact CZ3-CD1 4.34Å; W506-Y508 HydrophobicContact CZ3-CD2 4.08Å; W506-Y508 HydrophobicContact CZ3-CE1 4.1Å; W506-Y508 AromaticContact CZ3-CE2 3.83Å; W506-Y508 HydrophobicContact CZ3-CE2 3.83Å; W506-Y508 HydrophobicContact CZ3-CG 4.31Å; W506-Y508 AromaticContact CZ3-CZ 3.83Å; Y508-R515 WeakPolarHBondContact CA-O 3.42Å; Y508-R515 HydrophobicContact CD1-CG 4.39Å; Y508-R515 WeakPolarHBondContact CD1-O 3.49Å; Y508-R515 HydrophobicContact CE1-CG 4.46Å; Y508-W516 HydrophobicContact CD1-CB 4.04Å; Y508-W516 HydrophobicContact CE1-CB 4.41Å
509T92.9Very high88.4Confident0 Ų050.5 Ų50.50%026%0.255CS..BIsolated β-bridgetrans-94.3156.7-177.896.50000111.3T461 I465 Q466 H476 D511 I514 R515 E517T461-T509 HydrophobicContact CG2-CG2 3.94Å; I465-T509 HydrophobicContact CG2-CG2 4.48Å; Q466-T509 CarbonylContact O-C 3.54Å; H476-T509 PolarHBondContact CD2-O 3.31Å; H476-T509 VanDerWaalsContact CD2-O 3.27Å; T509-D511 PolarHBondContact O-N 3.46Å; T509-D511 WeakPolarHBondContact OG1-CB 3.33Å; T509-D511 PolarHBondContact OG1-N 3.42Å; T509-D511 VanDerWaalsContact OG1-N 3.09Å; T509-D511 PolarHBondContact OG1-O 2.78Å; T509-I514 WeakPolarHBondContact CB-O 3.23Å; T509-I514 HydrophobicContact CG2-CB 4.39Å; T509-I514 HydrophobicContact CG2-CG2 3.8Å; T509-I514 WeakPolarHBondContact CG2-O 3.45Å; T509-I514 PolarHBondContact OG1-O 2.93Å; T509-R515 PolarHBondContact N-O 2.86Å; T509-E517 HydrophobicContact CG2-CB 4.12Å
510S91.1Very high89.1Confident62 Ų6253.5 Ų53.543%0.43428%0.28SS..SBendtrans-74.1-6.5172.562.50000113.5Q466Q466-S510 PolarHBondContact O-N 2.93Å; Q466-S510 PolarHBondContact O-OG 3.17Å
511D88.8Confident89.8Confident50 Ų5053.6 Ų53.627%0.26728%0.278SS..SBendtrans-85.8121.1176.8-173.4-23.8000110I465 H476 T509 N513 I514I465-D511 HydrophobicContact CG2-CB 4.07Å; H476-D511 PolarHBondContact NE2-O 2.89Å; T509-D511 PolarHBondContact O-N 3.46Å; T509-D511 WeakPolarHBondContact OG1-CB 3.33Å; T509-D511 PolarHBondContact OG1-N 3.42Å; T509-D511 VanDerWaalsContact OG1-N 3.09Å; T509-D511 PolarHBondContact OG1-O 2.78Å; D511-N513 PolarHBondContact O-N 3.04Å; D511-N513 VanDerWaalsContact O-N 3.12Å; D511-N513 WeakPolarHBondContact OD1-CB 3.19Å; D511-N513 PolarHBondContact OD1-N 2.84Å; D511-N513 PolarHBondContact OD1-ND2 3.29Å; D511-N513 VanDerWaalsContact OD1-ND2 3.12Å; D511-I514 HydrophobicContact CB-CB 4.35Å; D511-I514 PolarHBondContact O-N 2.69Å; D511-I514 VanDerWaalsContact O-O 3.1Å
512P88.7Confident90.4Very high92 Ų9254 Ų5460%0.59729%0.286SS*.THydrogen-bonded Turntrans-58-21.9176.3-22.833.2000115P475 H476P475-P512 HydrophobicContact CB-CB 4.17Å; P475-P512 HydrophobicContact CB-CG 4.05Å; H476-P512 PolarHBondContact CE1-O 3.04Å; H476-P512 VanDerWaalsContact CE1-O 3.3Å
513N88.9Confident90.7Very high144 Ų14459.9 Ų59.977%0.7731%0.305SS*.THydrogen-bonded Turntrans-89.4-20-178.7-56.3-62.8000113.1D511D511-N513 PolarHBondContact O-N 3.04Å; D511-N513 VanDerWaalsContact O-N 3.12Å; D511-N513 WeakPolarHBondContact OD1-CB 3.19Å; D511-N513 PolarHBondContact OD1-N 2.84Å; D511-N513 PolarHBondContact OD1-ND2 3.29Å; D511-N513 VanDerWaalsContact OD1-ND2 3.12Å
514I85Confident90.9Very high66 Ų6656.9 Ų56.934%0.33829%0.29SS..  trans-117.899.2-177.6-59.6173.9000108.2I465 H476 T509 D511 W516I465-I514 HydrophobicContact CD1-CB 4.27Å; I465-I514 HydrophobicContact CD1-CD1 3.4Å; I465-I514 VanDerWaalsContact CD1-CD1 3.4Å; I465-I514 HydrophobicContact CD1-CG1 4.4Å; I465-I514 HydrophobicContact CD1-CG2 4.22Å; H476-I514 PolarHBondContact NE2-O 3.3Å; T509-I514 WeakPolarHBondContact CB-O 3.23Å; T509-I514 HydrophobicContact CG2-CB 4.39Å; T509-I514 HydrophobicContact CG2-CG2 3.8Å; T509-I514 WeakPolarHBondContact CG2-O 3.45Å; T509-I514 PolarHBondContact OG1-O 2.93Å; D511-I514 HydrophobicContact CB-CB 4.35Å; D511-I514 PolarHBondContact O-N 2.69Å; D511-I514 VanDerWaalsContact O-O 3.1Å; I514-W516 PolarHBondContact O-N 2.76Å
515R88Confident90.5Very high123 Ų12359.3 Ų59.346%0.46431%0.313SS..  trans-57.4-51.4-172.9-171.5174173.380.83.9113.3H476 Q477 Y508 T509H476-R515 HydrophobicContact CB-CG 4.32Å; H476-R515 PolarHBondContact CD2-O 3.41Å; H476-R515 VanDerWaalsContact CD2-O 3.23Å; H476-R515 VanDerWaalsContact CE1-CA 3.44Å; H476-R515 WeakPolarHBondContact CE1-CA 3.37Å; H476-R515 WeakPolarHBondContact NE2-CA 3.37Å; Q477-R515 PolarHBondContact O-NH2 3.47Å; Y508-R515 WeakPolarHBondContact CA-O 3.42Å; Y508-R515 HydrophobicContact CD1-CG 4.39Å; Y508-R515 WeakPolarHBondContact CD1-O 3.49Å; Y508-R515 HydrophobicContact CE1-CG 4.46Å; T509-R515 PolarHBondContact N-O 2.86Å
516W92.9Very high88.8Confident113 Ų11366.4 Ų66.443%0.42834%0.344SS..EExtended strand (participates in β ladder)trans-154.2157.3-179.366.3-90.1000109.9W506 C507 Y508 I514 Y518W506-W516 HydrophobicContact CB-CE3 4.44Å; W506-W516 HydrophobicContact CE3-CB 3.98Å; W506-W516 HydrophobicContact CE3-CE3 4.26Å; W506-W516 HydrophobicContact CE3-CG 4.45Å; W506-W516 HydrophobicContact CZ3-CB 4.02Å; W506-W516 HydrophobicContact CZ3-CG 4.49Å; C507-W516 VanDerWaalsContact O-CA 3.31Å; C507-W516 WeakPolarHBondContact O-CA 3.5Å; C507-W516 WeakPolarHBondContact O-CB 3.29Å; Y508-W516 HydrophobicContact CD1-CB 4.04Å; Y508-W516 HydrophobicContact CE1-CB 4.41Å; I514-W516 PolarHBondContact O-N 2.76Å; W516-Y518 HydrophobicContact CH2-CE2 4.32Å; W516-Y518 HydrophobicContact CZ3-CD2 4.4Å; W516-Y518 HydrophobicContact CZ3-CE1 4.21Å; W516-Y518 HydrophobicContact CZ3-CE2 4.08Å; W516-Y518 AromaticContact CZ3-CZ 3.95Å
517E92.6Very high86.7Confident18 Ų1874.8 Ų74.88%0.08438%0.38CS..EExtended strand (participates in β ladder)trans-152.1156.6174.4-171.5175.8-161.600111.9T461 R462 S463 W506 C507 T509T461-E517 WeakPolarHBondContact CB-OE2 2.9Å; T461-E517 HydrophobicContact CG2-CB 3.76Å; T461-E517 HydrophobicContact CG2-CG 4.48Å; T461-E517 PolarHBondContact OG1-OE2 3.34Å; R462-E517 HydrophobicContact CG-CG 4.13Å; R462-E517 WeakPolarHBondContact CG-OE1 3.46Å; R462-E517 IonicContact CZ-OE1 3.6Å; R462-E517 IonicContact NE-OE1 2.91Å; R462-E517 PolarHBondContact NE-OE1 2.92Å; R462-E517 IonicContact NH2-OE1 3.38Å; S463-E517 VanDerWaalsContact CB-OE2 3.23Å; S463-E517 WeakPolarHBondContact CB-OE2 2.91Å; S463-E517 VanDerWaalsContact OG-CD 3.29Å; S463-E517 PolarHBondContact OG-OE1 3.42Å; S463-E517 PolarHBondContact OG-OE2 2.85Å; W506-E517 WeakPolarHBondContact CA-O 3.44Å; W506-E517 WeakPolarHBondContact CB-O 3.26Å; C507-E517 PolarHBondContact N-O 3.32Å; C507-E517 VanDerWaalsContact N-O 3.1Å; C507-E517 PolarHBondContact O-N 3.45Å; T509-E517 HydrophobicContact CG2-CB 4.12Å
518Y95.1Very high84.2Confident55 Ų5581 Ų8122%0.21642%0.421CS..EExtended strand (participates in β ladder)trans-66.3146170.6-67.5-61.6000112.7R462 K504 W506 W516R462-Y518 PolarHBondContact N-O 2.72Å; K504-Y518 HydrophobicContact CB-CD1 3.83Å; K504-Y518 HydrophobicContact CB-CE1 4.19Å; W506-Y518 HydrophobicContact CB-CD1 3.89Å; W506-Y518 HydrophobicContact CB-CE1 4.34Å; W516-Y518 HydrophobicContact CH2-CE2 4.32Å; W516-Y518 HydrophobicContact CZ3-CD2 4.4Å; W516-Y518 HydrophobicContact CZ3-CE1 4.21Å; W516-Y518 HydrophobicContact CZ3-CE2 4.08Å; W516-Y518 AromaticContact CZ3-CZ 3.95Å
519C93.9Very high81.6Confident7 Ų788.1 Ų88.15%0.04746%0.455CS..BIsolated β-bridgetrans-93.2154.4176.1-58.60000112.4V458 C495 P505 V521V458-C519 HydrophobicContact CG1-CB 4.2Å; C495-C519 HydrophobicContact CB-CB 3.52Å; C495-C519 WeakPolarHBondContact CB-SG 3.31Å; C495-C519 WeakPolarHBondContact SG-CB 3.49Å; C495-C519 CovalentContact SG-SG 2Å; C495-C519 PolarHBondContact SG-SG 3.34Å; P505-C519 PolarHBondContact O-N 3.1Å; C519-V521 HydrophobicContact CB-CG2 4.01Å; C519-V521 PolarHBondContact O-N 2.86Å
520A88.8Confident78.8Confident71 Ų7196.7 Ų96.759%0.58750%0.5SS*.  trans-77.652.5176.900000112.2
521V91.3Very high76Confident11 Ų11100.1 Ų100.17%0.06752%0.518CS..PPolyproline II helixtrans-88129.2174.3-172.20000108.4Y447 Y454 V458 P505 C519Y447-V521 HydrophobicContact CD1-CB 3.98Å; Y447-V521 HydrophobicContact CD1-CG1 3.85Å; Y447-V521 WeakPolarHBondContact CD1-O 3.45Å; Y447-V521 WeakPolarHBondContact CE1-O 3.49Å; Y454-V521 HydrophobicContact CD1-CG2 4.47Å; Y454-V521 HydrophobicContact CD2-CG1 3.97Å; Y454-V521 HydrophobicContact CE1-CG1 4.09Å; Y454-V521 HydrophobicContact CE1-CG2 3.76Å; Y454-V521 HydrophobicContact CE2-CG1 3.46Å; Y454-V521 VanDerWaalsContact CE2-CG1 3.46Å; Y454-V521 HydrophobicContact CG-CG1 4.45Å; V458-V521 HydrophobicContact CB-CG2 4.13Å; V458-V521 HydrophobicContact CG1-CG2 4.19Å; V458-V521 HydrophobicContact CG2-CG2 4.26Å; P505-V521 HydrophobicContact CB-CB 4.45Å; P505-V521 HydrophobicContact CB-CG2 3.99Å; P505-V521 HydrophobicContact CG-CB 4.21Å; P505-V521 HydrophobicContact CG-CG1 4.42Å; P505-V521 HydrophobicContact CG-CG2 4.24Å; C519-V521 HydrophobicContact CB-CG2 4.01Å; C519-V521 PolarHBondContact O-N 2.86Å
522P88.9Confident73.3Confident79 Ų79102.2 Ų102.251%0.51354%0.543SS..PPolyproline II helixtrans-73.8151.5177.929.1-33.2000111.5T445 C446 Y447T445-P522 WeakPolarHBondContact O-CG 3.28Å; C446-P522 CarbonylContact C-O 3.58Å; C446-P522 WeakPolarHBondContact CA-O 3.41Å; C446-P522 HydrophobicContact CB-CG 4.25Å; C446-P522 VanDerWaalsContact CB-O 3.26Å; C446-P522 WeakPolarHBondContact CB-O 3.41Å; Y447-P522 WeakPolarHBondContact CD1-O 3.34Å; Y447-P522 PolarHBondContact N-O 3.1Å
523R87.9Confident71.4Confident143 Ų143103 Ų10354%0.5455%0.548SS..BIsolated β-bridgetrans-80.2139.4174.6-159177.4-174.9127.7-3.4109.6Y447 G449Y447-R523 HydrophobicContact CD2-CG 4.44Å; Y447-R523 HydrophobicContact CE1-CB 4.02Å; Y447-R523 HydrophobicContact CE1-CG 4.42Å; Y447-R523 HydrophobicContact CE2-CB 4.39Å; Y447-R523 HydrophobicContact CE2-CG 3.91Å; Y447-R523 CarbonylContact O-C 3.58Å; Y447-R523 WeakPolarHBondContact O-CA 3.48Å; G449-R523 VanDerWaalsContact O-CZ 3.31Å; G449-R523 PolarHBondContact O-NH2 3.05Å; G449-R523 VanDerWaalsContact O-NH2 3.15Å
524C87.8Confident68.7Low27 Ų27102.5 Ų102.518%0.18255%0.545CS..PPolyproline II helixtrans-64.3136.7178.8-60.50000110.9C446 Y447 D448 K526C446-C524 HydrophobicContact CB-CB 4.02Å; C446-C524 WeakPolarHBondContact CB-SG 3.44Å; C446-C524 WeakPolarHBondContact SG-CA 3.14Å; C446-C524 WeakPolarHBondContact SG-CB 3.47Å; C446-C524 CovalentContact SG-SG 2.05Å; C446-C524 PolarHBondContact SG-SG 3.29Å; Y447-C524 PolarHBondContact O-N 3.16Å; D448-C524 HydrophobicContact CB-CB 4.33Å; C524-K526 PolarHBondContact O-N 3.29Å
525V81.1Confident66.1Low145 Ų145106.5 Ų106.588%0.87956%0.562SS**  trans-77109.5177.7-175.20000107.9K527V525-K527 PolarHBondContact O-N 2.86Å
526K58.6Low63.6Low149 Ų149108.1 Ų108.165%0.64858%0.579SS**PPolyproline II helixtrans-68.6124.3174.9-68.3-167.5172.9-159.70109.6C524C524-K526 PolarHBondContact O-N 3.29Å
527K50.2Low62.1Low189 Ų189107.7 Ų107.782%0.82259%0.59SS**PPolyproline II helixtrans-69.1142.6158.6-81.6179.6175178.20108V525 E529V525-K527 PolarHBondContact O-N 2.86Å; K527-E529 PolarHBondContact O-N 2.91Å
528P41.7Very low59.1Low131 Ų131118 Ų11885%0.85163%0.628SS**PPolyproline II helixtrans-67.9127179.622-24.2000110.9
529E38.6Very low56.6Low175 Ų175120.6 Ų120.682%0.81865%0.652SS**PPolyproline II helixtrans-82.8141.9177.8-83.8171.4147.400112.1K527K527-E529 PolarHBondContact O-N 2.91Å
530L34.2Very low55Low180 Ų180125.7 Ų125.794%0.94269%0.685SS**PPolyproline II helixtrans-76.3142165.6-108.181000110.3
531T33Very low53.1Low134 Ų134127.6 Ų127.682%0.82269%0.692SS**PPolyproline II helixtrans-92148.6-171.241.30000116.2
532A31.8Very low50.2Low95 Ų95133.6 Ų133.679%0.78573%0.728SS**  trans80.7169.8141.700000119.2
533P48Very low47.2Very low108 Ų108135.7 Ų135.770%0.70175%0.745SS**  cis-142.6172.4-3.639.7-20.5000118.2
534D33.3Very low44.3Very low134 Ų134135 Ų13572%0.71776%0.757SS**  trans60.8153.3137.3-79.10.2000122.8
535Q31.1Very low41.4Very low149 Ų149138.9 Ų138.970%0.69678%0.784SS**  cis-17013714.1-114.9164.335.900108.1
536I34.1Very low38.9Very low158 Ų158137.3 Ų137.381%0.8178%0.78SS**  73.4144.199.1-67.2-177.1000118.4
537P62.8Low37.7Very low103 Ų103135.5 Ų135.567%0.66979%0.786SS**  trans-125.7-173.4-142.943.9-29.2000116.1
538R28.6Very low37.5Very low234 Ų234133.1 Ų133.188%0.88379%0.79SS**  trans149.1175.2148.9-89.4-175.2-153.5-156.65.6114.2
539P42.7Very low37.4Very low111 Ų111131 Ų13172%0.72178%0.783SS**  -140-169-62.945.9-25.1000112.8
540P61.2Low37.1Very low114 Ų114134 Ų13474%0.7479%0.789SS**  trans-104.9-176.2-168.241.4-31.5000114.4
541P47.5Very low37.3Very low111 Ų111130.8 Ų130.872%0.72178%0.781SS**  -165.5162.19743-20.8000121.5
542T31.2Very low37.8Very low136 Ų136131.7 Ų131.783%0.83478%0.777SS**  trans60.9138.1135.155.10000126.7
543S26.1Very low38.5Very low124 Ų124132.6 Ų132.687%0.86778%0.778SS**  trans-152.5156.8138.261.70000113.6
544T26.4Very low38.4Very low129 Ų129133.4 Ų133.479%0.79178%0.781SS**  trans-108.2150.2-168.4390000114.4
545S27.4Very low39.2Very low108 Ų108132.6 Ų132.676%0.75578%0.775SS**  trans35.6150.1143.779.30000121.3
546S28.4Very low40.1Very low111 Ų111131.2 Ų131.278%0.77678%0.777SS**  cis-177.7158.519.336.20000109.4
547S33.9Very low41Very low112 Ų112130.4 Ų130.478%0.78377%0.773SS**  trans-81.9174.4170.8-47.60000114.3
548P45Very low40.6Very low139 Ų139130.1 Ų130.190%0.90377%0.769SS**  -146.2-177.510535.6-16.4000116.4
549A40.7Very low41.7Very low85 Ų85125.2 Ų125.270%0.70276%0.759SS**  trans-110170.6-156.600000117
550Y31.5Very low42.3Very low240 Ų240124.8 Ų124.894%0.94176%0.755SS**  trans-164.5164155-74.2-74.6000108.8
551S38.3Very low42Very low111 Ų111122.9 Ų122.978%0.77674%0.744SS**  cis-174.9150.8-28.7178.30000106.5
552M43.9Very low42.5Very low153 Ų153124.3 Ų124.375%0.75474%0.743SS**  trans-83127.3-169.9-74.4-86.1-81.200113.9
553S45.7Very low44Very low115 Ų115120.2 Ų120.280%0.80473%0.728SS**  trans-161.25.5162.9-71.60000118
554V47.6Very low45.8Very low124 Ų124118.5 Ų118.575%0.75271%0.713SS**SBendtrans-106.9-6.5-165.5-176.20000115.8V556V554-V556 PolarHBondContact O-N 2.88Å
555I49.7Very low47.5Very low117 Ų117115.1 Ų115.160%0.670%0.698SS**SBendtrans-84.7-16.5-165.5-64.3174.1000114.5
556V49.5Very low49.6Very low121 Ų121114.3 Ų114.373%0.73369%0.688SS**SBendtrans-87-19.6-168.1-178.40000114.2V554V554-V556 PolarHBondContact O-N 2.88Å
557I53.4Low51.7Low140 Ų140116 Ų11672%0.71868%0.681SS**SBendtrans-87.6-20.7-173.1-62.7173000112.8
558V53.9Low53.4Low98 Ų98115.9 Ų115.959%0.59467%0.672SS**SBendtrans-84.3-23.9-174.5-178.80000112.7S561V558-S561 PolarHBondContact O-OG 2.78Å
559L51.5Low54.6Low130 Ų130113 Ų11368%0.68165%0.651SS**Hα-helixtrans-84.8-18.8-173.6-70.9169.1000114.4
560T55.7Low56.2Low102 Ų102114.3 Ų114.363%0.62665%0.645SS**Hα-helixtrans-86.9-20.9-176.951.90000113.6
561S55.7Low58.3Low74 Ų74107 Ų10752%0.51762%0.622SS.*Hα-helixtrans-82.4-26.9-179.663.20000114V558 T564V558-S561 PolarHBondContact O-OG 2.78Å; S561-T564 PolarHBondContact O-OG1 3.4Å
562M57Low59.9Low141 Ų141106.8 Ų106.870%0.69561%0.611SS**Hα-helixtrans-74.8-29177.9-93.4177.956.800113.6
563G62.4Low61.2Low50 Ų50104.4 Ų104.452%0.51560%0.6SS.*Hα-helixtrans-71.9-33.9-177.200000114.1
564T64.8Low62.5Low89 Ų89100.7 Ų100.755%0.54658%0.58SS.*Hα-helixtrans-76.9-32.9-174.653.70000112.8S561 F567 L568S561-T564 PolarHBondContact O-OG1 3.4Å; T564-F567 PolarHBondContact O-N 3.26Å; T564-L568 PolarHBondContact O-N 2.81Å
565A61.9Low63.6Low58 Ų5898.6 Ų98.648%0.47957%0.57SS.*Hα-helixtrans-69.5-34.4178.900000113.4T569A565-T569 PolarHBondContact O-N 3.24Å; A565-T569 PolarHBondContact O-OG1 3.17Å
566V71.3Confident64.5Low90 Ų9099.4 Ų99.455%0.54557%0.571SS.*Hα-helixtrans-72.7-34.6177.9178.70000111.2T569 I570V566-T569 WeakPolarHBondContact CA-OG1 3.23Å; V566-T569 PolarHBondContact O-OG1 3.2Å; V566-I570 HydrophobicContact CG1-CD1 4.3Å; V566-I570 WeakPolarHBondContact O-CG1 3.49Å; V566-I570 PolarHBondContact O-N 3.01Å
567F71.4Confident65.2Low146 Ų146102.5 Ų102.564%0.6457%0.569SS**Hα-helixtrans-70.7-39179.8-156.2-100.5000112.5T564 I570 I571T564-F567 PolarHBondContact O-N 3.26Å; F567-I570 PolarHBondContact O-N 3.25Å; F567-I571 HydrophobicContact CD1-CD1 3.89Å; F567-I571 HydrophobicContact CE1-CD1 3.81Å; F567-I571 PolarHBondContact O-N 3.39Å
568L70Confident65.7Low111 Ų111105.4 Ų105.458%0.58157%0.571SS**Hα-helixtrans-68-35.3178.8-78.3164.3000113.1T564 I571 I572T564-L568 PolarHBondContact O-N 2.81Å; L568-I571 PolarHBondContact O-N 3.35Å; L568-I572 WeakPolarHBondContact O-CD1 3.47Å; L568-I572 WeakPolarHBondContact O-CG1 3.46Å; L568-I572 PolarHBondContact O-N 3.16Å
569T69.9Low66Low77 Ų77110.2 Ų110.247%0.47258%0.579SS.*Hα-helixtrans-69-35.8178.434.80000112.6A565 V566 I572 I573A565-T569 PolarHBondContact O-N 3.24Å; A565-T569 PolarHBondContact O-OG1 3.17Å; V566-T569 WeakPolarHBondContact CA-OG1 3.23Å; V566-T569 PolarHBondContact O-OG1 3.2Å; T569-I572 PolarHBondContact O-N 3.48Å; T569-I573 WeakPolarHBondContact O-CG1 3.32Å; T569-I573 PolarHBondContact O-N 2.92Å
570I75.4Confident66.1Low113 Ų113111.3 Ų111.358%0.57958%0.578SS**Hα-helixtrans-66.1-40176.4-64.9172000111.3V566 F567 I573 G574V566-I570 HydrophobicContact CG1-CD1 4.3Å; V566-I570 WeakPolarHBondContact O-CG1 3.49Å; V566-I570 PolarHBondContact O-N 3.01Å; F567-I570 PolarHBondContact O-N 3.25Å; I570-I573 PolarHBondContact O-N 3.47Å; I570-G574 PolarHBondContact O-N 3.2Å
571I74.9Confident66.1Low87 Ų87113.3 Ų113.345%0.44658%0.58SS.*Hα-helixtrans-65.6-41.6178.4-66174.9000111.2F567 L568 I573 G574 C575F567-I571 HydrophobicContact CD1-CD1 3.89Å; F567-I571 HydrophobicContact CE1-CD1 3.81Å; F567-I571 PolarHBondContact O-N 3.39Å; L568-I571 PolarHBondContact O-N 3.35Å; I571-I573 PolarHBondContact O-N 2.99Å; I571-G574 PolarHBondContact O-N 2.97Å; I571-C575 PolarHBondContact O-N 3.32Å
572I72.8Confident65.5Low107 Ų107118.6 Ų118.655%0.54959%0.589SS.*Hα-helixtrans-63-42.9178.7-69.1162.5000111.2L568 T569 C575 H576L568-I572 WeakPolarHBondContact O-CD1 3.47Å; L568-I572 WeakPolarHBondContact O-CG1 3.46Å; L568-I572 PolarHBondContact O-N 3.16Å; T569-I572 PolarHBondContact O-N 3.48Å; I572-C575 PolarHBondContact O-N 2.88Å; I572-H576 PolarHBondContact O-N 2.8Å; I572-H576 VanDerWaalsContact O-N 3.1Å
573I71.3Confident65.2Low102 Ų102121.6 Ų121.652%0.52359%0.593SS.*Hα-helixtrans-66.1-38.6177.8-65.5168.9000111T569 I570 I571 H576 R577T569-I573 WeakPolarHBondContact O-CG1 3.32Å; T569-I573 PolarHBondContact O-N 2.92Å; I570-I573 PolarHBondContact O-N 3.47Å; I571-I573 PolarHBondContact O-N 2.99Å; I573-H576 PolarHBondContact O-N 2.65Å; I573-R577 PolarHBondContact O-N 3.1Å; I573-R577 VanDerWaalsContact O-N 3.15Å
574G72.9Confident64.4Low37 Ų37124.2 Ų124.238%0.38160%0.595SS.*Hα-helixtrans-62.3-44.7174.800000113.3I570 I571 H576 R577 R578I570-G574 PolarHBondContact O-N 3.2Å; I571-G574 PolarHBondContact O-N 2.97Å; G574-H576 PolarHBondContact O-N 2.84Å; G574-R577 PolarHBondContact O-N 3.35Å; G574-R578 PolarHBondContact O-N 3.02Å; G574-R578 VanDerWaalsContact O-N 3.11Å
575C70.3Confident63.3Low80 Ų80127 Ų12754%0.54160%0.599SS.*Hα-helixtrans-65-37177.5-75.70000112.6I571 I572 R579I571-C575 PolarHBondContact O-N 3.32Å; I572-C575 PolarHBondContact O-N 2.88Å; C575-R579 PolarHBondContact O-N 2.95Å; C575-R579 VanDerWaalsContact O-N 3.08Å
576H68.6Low62.2Low135 Ų135131.4 Ų131.463%0.62561%0.608SS**Hα-helixtrans-66.3-39.4175.5-111.7-103000112.8I572 I573 G574 K580I572-H576 PolarHBondContact O-N 2.8Å; I572-H576 VanDerWaalsContact O-N 3.1Å; I573-H576 PolarHBondContact O-N 2.65Å; G574-H576 PolarHBondContact O-N 2.84Å; H576-K580 PolarHBondContact O-N 2.91Å; H576-K580 VanDerWaalsContact O-N 3.16Å
577R64.8Low60.7Low185 Ų185137.8 Ų137.870%0.69862%0.622SS**Hα-helixtrans-67.8-40.1177.4-76.4-176.5166.5-179.6-3.1112.3I573 G574 K580 Q581I573-R577 PolarHBondContact O-N 3.1Å; I573-R577 VanDerWaalsContact O-N 3.15Å; G574-R577 PolarHBondContact O-N 3.35Å; R577-K580 PolarHBondContact O-N 3.37Å; R577-Q581 PolarHBondContact O-N 2.83Å; R577-Q581 VanDerWaalsContact O-N 3.11Å
578R63.8Low59Low202 Ų202141.7 Ų141.776%0.76263%0.632SS**Hα-helixtrans-65.3-41.5174.6-96-176.7171.9174.6-1.9112.8G574 K580 Q581 W582G574-R578 PolarHBondContact O-N 3.02Å; G574-R578 VanDerWaalsContact O-N 3.11Å; R578-K580 VanDerWaalsContact C-N 3.32Å; R578-K580 PolarHBondContact O-N 3.25Å; R578-Q581 PolarHBondContact O-N 2.98Å; R578-W582 PolarHBondContact O-N 2.75Å
579R59.6Low57.4Low198 Ų198144 Ų14475%0.74764%0.64SS**Hα-helixtrans-62.5-35.6175-103.2-179.6173.7169.1-1113C575 R583C575-R579 PolarHBondContact O-N 2.95Å; C575-R579 VanDerWaalsContact O-N 3.08Å; R579-R583 PolarHBondContact O-N 3.14Å
580K53.2Low55.7Low153 Ų153147.3 Ų147.367%0.66565%0.653SS**Hα-helixtrans-70.4-40.5176.9-167175.5-178179.20112.2H576 R577 R578 N584H576-K580 PolarHBondContact O-N 2.91Å; H576-K580 VanDerWaalsContact O-N 3.16Å; R577-K580 PolarHBondContact O-N 3.37Å; R578-K580 VanDerWaalsContact C-N 3.32Å; R578-K580 PolarHBondContact O-N 3.25Å; K580-N584 PolarHBondContact O-N 3.42Å
581Q55.3Low53.5Low144 Ų144145.7 Ų145.767%0.67367%0.665SS**Hα-helixtrans-67.1-37175.3-79-179.8-23.400112.6R577 R578 N584 K585R577-Q581 PolarHBondContact O-N 2.83Å; R577-Q581 VanDerWaalsContact O-N 3.11Å; R578-Q581 PolarHBondContact O-N 2.98Å; Q581-N584 PolarHBondContact O-N 3.22Å; Q581-K585 PolarHBondContact O-N 2.65Å; Q581-K585 VanDerWaalsContact O-N 3.13Å
582W44.4Very low51.1Low186 Ų186147.2 Ų147.271%0.70568%0.678SS**Hα-helixtrans-69.2-37.1178.4-146.375000112.8R578 N584 K585 K586R578-W582 PolarHBondContact O-N 2.75Å; W582-N584 VanDerWaalsContact C-N 3.33Å; W582-N584 PolarHBondContact O-N 3.07Å; W582-K585 PolarHBondContact O-N 3.43Å; W582-K586 PolarHBondContact O-N 2.94Å
583R50.2Low49Very low204 Ų204147.9 Ų147.977%0.7769%0.689SS**Hα-helixtrans-64.8-33172.3-79.3176.2102.41643.6113.2R579R579-R583 PolarHBondContact O-N 3.14Å
584N44.7Very low46.9Very low105 Ų105149.8 Ų149.856%0.56171%0.706SS**Hα-helixtrans-76.2-28.2177.2-76.7-0.2000112.8K580 Q581 W582K580-N584 PolarHBondContact O-N 3.42Å; Q581-N584 PolarHBondContact O-N 3.22Å; W582-N584 VanDerWaalsContact C-N 3.33Å; W582-N584 PolarHBondContact O-N 3.07Å
585K42Very low44.8Very low148 Ų148153 Ų15364%0.64371%0.714SS**Hα-helixtrans-72.7-39176-161.3175.6-179.2-176.90112Q581 W582 R587 R588Q581-K585 PolarHBondContact O-N 2.65Å; Q581-K585 VanDerWaalsContact O-N 3.13Å; W582-K585 PolarHBondContact O-N 3.43Å; K585-R587 VanDerWaalsContact C-N 3.25Å; K585-R587 PolarHBondContact O-N 2.68Å; K585-R588 PolarHBondContact O-N 3.12Å
586K39.5Very low42.9Very low150 Ų150152.8 Ų152.865%0.65271%0.713SS**THydrogen-bonded Turntrans-71.6-12.7178.3-149.5175.9-174.7-179.60114.5W582W582-K586 PolarHBondContact O-N 2.94Å
587R39.3Very low41.1Very low224 Ų224147.2 Ų147.285%0.84569%0.691SS**THydrogen-bonded Turntrans-89.2-8.2174.4-111.4-176.4-173.4-172.50.6114K585K585-R587 VanDerWaalsContact C-N 3.25Å; K585-R587 PolarHBondContact O-N 2.68Å
588R36.1Very low39.6Very low228 Ų228139.3 Ų139.386%0.8666%0.663SS**SBendtrans-95.2-5-179.4-88-176.8169.7-178.2-4.5114.3K585K585-R588 PolarHBondContact O-N 3.12Å
589E35.8Very low38Very low159 Ų159130.7 Ų130.774%0.74363%0.632SS**SBendtrans-107.110-172.9-90.4174.6179.500115.2
590I35.7Very low36.9Very low146 Ų146122.7 Ų122.775%0.74961%0.607SS**  trans-117.791.9168.8-62.8171.9000106.9T592I590-T592 PolarHBondContact O-N 3.32Å
591G28.4Very low35.9Very low80 Ų80118.9 Ų118.983%0.82559%0.592SS**  trans-78.5111.5175.500000110.5
592T24.2Very low35.1Very low118 Ų118113.8 Ų113.872%0.72457%0.569SS**  trans-89.1140.2161.237.90000109.3I590I590-T592 PolarHBondContact O-N 3.32Å
593P28.5Very low35Very low121 Ų121109.8 Ų109.879%0.78656%0.561SS**  trans-66.2134.6-176.3-10.225000110.8L595P593-L595 PolarHBondContact O-N 2.9Å
594T27.7Very low34.7Very low143 Ų143100.8 Ų100.888%0.87753%0.528SS*.  trans-74.8107.9178.841.90000110.9
595L29.7Very low34.3Very low104 Ų104101.3 Ų101.355%0.54553%0.531SS..PPolyproline II helixtrans-71129.4171-135.883.9000109.8P593 E870P593-L595 PolarHBondContact O-N 2.9Å; L595-E870 HydrophobicContact CB-CG 4.36Å; L595-E870 WeakPolarHBondContact CB-OE1 3.42Å; L595-E870 HydrophobicContact CD2-CB 3.62Å; L595-E870 HydrophobicContact CD2-CG 3.44Å; L595-E870 VanDerWaalsContact CD2-CG 3.44Å; L595-E870 WeakPolarHBondContact CD2-OE1 3.34Å; L595-E870 HydrophobicContact CG-CG 4.5Å
596S28.7Very low34.3Very low75 Ų75103.6 Ų103.652%0.52454%0.535SS..PPolyproline II helixtrans-53.9141.9173.848.50000112.2D145 Y873D145-S596 VanDerWaalsContact OD2-CA 3.29Å; D145-S596 WeakPolarHBondContact OD2-CA 3.04Å; S596-Y873 WeakPolarHBondContact O-CE2 3.18Å
597A32.4Very low34.2Very low19 Ų1999.2 Ų99.216%0.15752%0.519CS..PPolyproline II helixtrans-89.3141-170.300000116D145 Y146 Y873D145-A597 PolarHBondContact OD2-N 2.78Å; D145-A597 VanDerWaalsContact OD2-N 3.12Å; Y146-A597 HydrophobicContact CD1-CB 3.91Å; Y146-A597 WeakPolarHBondContact CD1-O 3.11Å; Y146-A597 HydrophobicContact CE1-CB 3.81Å; A597-Y873 VanDerWaalsContact C-CZ 3.47Å; A597-Y873 PolarHBondContact O-OH 3.3Å
598L31.6Very low34.1Very low19 Ų1994.5 Ų94.510%0.09951%0.506CS..  trans21.9114.6160.4-53.390.7000123.5Y146 E869 I872 Y873Y146-L598 WeakPolarHBondContact CD1-O 3.2Å; Y146-L598 VanDerWaalsContact CG-O 3.26Å; L598-E869 VanDerWaalsContact CD1-CA 3.41Å; L598-E869 HydrophobicContact CD1-CB 3.39Å; L598-E869 HydrophobicContact CD1-CG 4.04Å; L598-E869 WeakPolarHBondContact CD1-O 3.49Å; L598-E869 VanDerWaalsContact CD2-O 3.25Å; L598-E869 WeakPolarHBondContact CD2-O 3.28Å; L598-I872 HydrophobicContact CD2-CB 3.21Å; L598-I872 HydrophobicContact CD2-CD1 4.12Å; L598-I872 HydrophobicContact CD2-CG1 4.26Å; L598-I872 HydrophobicContact CD2-CG2 3.04Å; L598-Y873 VanDerWaalsContact C-CZ 3.41Å; L598-Y873 VanDerWaalsContact CA-CZ 3.45Å; L598-Y873 VanDerWaalsContact CA-OH 3.25Å; L598-Y873 WeakPolarHBondContact CA-OH 3.48Å; L598-Y873 HydrophobicContact CB-CD2 4.4Å; L598-Y873 HydrophobicContact CB-CE2 3.95Å; L598-Y873 HydrophobicContact CD1-CD2 3.2Å; L598-Y873 HydrophobicContact CD1-CE2 3.41Å; L598-Y873 VanDerWaalsContact CD1-CE2 3.41Å; L598-Y873 HydrophobicContact CD1-CG 3.95Å; L598-Y873 HydrophobicContact CD2-CD1 4.27Å; L598-Y873 HydrophobicContact CD2-CD2 4.01Å; L598-Y873 HydrophobicContact CD2-CE2 4.34Å; L598-Y873 HydrophobicContact CD2-CG 3.92Å; L598-Y873 HydrophobicContact CG-CD1 4.05Å; L598-Y873 HydrophobicContact CG-CD2 3.24Å; L598-Y873 HydrophobicContact CG-CE1 4.06Å; L598-Y873 HydrophobicContact CG-CE2 3.22Å; L598-Y873 HydrophobicContact CG-CG 3.63Å; L598-Y873 VanDerWaalsContact N-CZ 3.28Å; L598-Y873 PolarHBondContact N-OH 2.83Å; L598-Y873 VanDerWaalsContact N-OH 3.14Å; L598-Y873 PolarHBondContact O-OH 2.95Å
599P31.2Very low34.2Very low20 Ų2087.2 Ų87.213%0.1349%0.488CS..  trans-83135.3165.936.7-21.9000107.4E601 Y873P599-E601 PolarHBondContact O-N 2.95Å; P599-Y873 HydrophobicContact CB-CE1 3.92Å; P599-Y873 WeakPolarHBondContact CD-OH 3.04Å; P599-Y873 HydrophobicContact CG-CD1 3.89Å; P599-Y873 HydrophobicContact CG-CE1 3.34Å; P599-Y873 VanDerWaalsContact N-CZ 3.31Å
600S35.6Very low34.3Very low30 Ų3080 Ų8021%0.2145%0.454CS..THydrogen-bonded Turntrans-79.647.7-176.2-66.70000114.7V117V117-S600 WeakPolarHBondContact CG2-OG 3.39Å
601E33.8Very low34.5Very low74 Ų7476.3 Ų76.335%0.34644%0.44SS..THydrogen-bonded Turntrans-93.5-4.4168.8-68.2-108.8141.600112.3K98 P599 L603 F835K98-E601 IonicContact NZ-OE1 2.79Å; K98-E601 PolarHBondContact NZ-OE1 2.03Å; P599-E601 PolarHBondContact O-N 2.95Å; E601-L603 PolarHBondContact O-N 3.04Å; E601-F835 HydrophobicContact CB-CD1 3.91Å; E601-F835 VanDerWaalsContact O-O 3.1Å
602L38.6Very low35.1Very low37 Ų3775 Ų7519%0.19441%0.413CS..  trans-76.4101.8-179.7-93.484.2000112.5L604 I826 I834 F835 I872L602-L604 HydrophobicContact CB-CD1 4.35Å; L602-L604 HydrophobicContact CB-CG 4.22Å; L602-L604 HydrophobicContact CD2-CD1 3.24Å; L602-L604 HydrophobicContact CD2-CG 3.72Å; L602-L604 HydrophobicContact CG-CD1 4.26Å; L602-L604 HydrophobicContact CG-CG 4.29Å; L602-L604 PolarHBondContact O-N 2.78Å; L602-L604 VanDerWaalsContact O-N 3.13Å; L602-I826 HydrophobicContact CD2-CD1 4.4Å; L602-I834 HydrophobicContact CD1-CG2 3.78Å; L602-I834 HydrophobicContact CD2-CG2 3.49Å; L602-I834 VanDerWaalsContact CD2-CG2 3.49Å; L602-I834 HydrophobicContact CG-CG2 3.57Å; L602-I834 WeakPolarHBondContact CG-O 3.47Å; L602-F835 HydrophobicContact CD1-CD1 3.59Å; L602-F835 HydrophobicContact CD1-CE1 3.31Å; L602-F835 HydrophobicContact CD1-CZ 4.31Å; L602-F835 HydrophobicContact CG-CD1 4.22Å; L602-F835 HydrophobicContact CG-CE1 4.31Å; L602-I872 HydrophobicContact CD1-CG2 3.33Å; L602-I872 HydrophobicContact CD2-CD1 3.6Å; L602-I872 HydrophobicContact CD2-CG1 4.14Å; L602-I872 HydrophobicContact CD2-CG2 4.18Å; L602-I872 HydrophobicContact CG-CG2 4.34Å
603L41.8Very low35.9Very low102 Ų10272 Ų7253%0.53439%0.389SS..  trans-83.355.1171-138.2144.5000109.9E601 D605 F835E601-L603 PolarHBondContact O-N 3.04Å; L603-D605 PolarHBondContact O-N 3.02Å; L603-F835 WeakPolarHBondContact CB-O 3.44Å
604L43.2Very low36.2Very low15 Ų1572.9 Ų72.98%0.07938%0.383CS..  trans-88.120.5177.5-68.9174.2000113.1L602 R606 Y816 I824 I826 M829L602-L604 HydrophobicContact CB-CD1 4.35Å; L602-L604 HydrophobicContact CB-CG 4.22Å; L602-L604 HydrophobicContact CD2-CD1 3.24Å; L602-L604 HydrophobicContact CD2-CG 3.72Å; L602-L604 HydrophobicContact CG-CD1 4.26Å; L602-L604 HydrophobicContact CG-CG 4.29Å; L602-L604 PolarHBondContact O-N 2.78Å; L602-L604 VanDerWaalsContact O-N 3.13Å; L604-R606 PolarHBondContact O-N 3.13Å; L604-Y816 HydrophobicContact CD1-CD1 4.04Å; L604-Y816 HydrophobicContact CD1-CE1 3.97Å; L604-I824 HydrophobicContact CB-CD1 4.09Å; L604-I824 HydrophobicContact CD1-CD1 4.37Å; L604-I824 HydrophobicContact CD2-CD1 3.73Å; L604-I824 HydrophobicContact CD2-CG2 4.26Å; L604-I824 HydrophobicContact CG-CD1 4.3Å; L604-I826 HydrophobicContact CD1-CD1 3.95Å; L604-I826 HydrophobicContact CD2-CD1 4.49Å; L604-M829 HydrophobicContact CD2-CE 4.12Å
605D37.3Very low36.8Very low116 Ų11675.1 Ų75.162%0.6238%0.375SS*.SBendtrans-77106.5175.3-79-27.2000109.5L603L603-D605 PolarHBondContact O-N 3.02Å
606R40.8Very low37.3Very low196 Ų19672.2 Ų72.274%0.7436%0.361SS*.  trans56118.8-177.5-64.9-176.7178.21740.1114L604 H608 N837L604-R606 PolarHBondContact O-N 3.13Å; R606-H608 PolarHBondContact O-N 3.22Å; R606-N837 PolarHBondContact O-ND2 2.96Å; R606-N837 VanDerWaalsContact O-ND2 3.11Å
607L38.9Very low37.8Very low58 Ų5872.9 Ų72.930%0.30436%0.364SS..  trans-55.7114.9157.6-77163.8000107.4I824 Y839L607-I824 HydrophobicContact CD1-CG1 4.45Å; L607-Y839 HydrophobicContact CD2-CE1 4.34Å; L607-Y839 HydrophobicContact CD2-CE2 3.66Å; L607-Y839 VanDerWaalsContact CD2-CZ 3.46Å; L607-Y839 WeakPolarHBondContact CD2-OH 3.36Å
608H35.3Very low38.3Very low125 Ų12577.6 Ų77.658%0.57939%0.386SS*.PPolyproline II helixtrans-56.7133.3168.4-73.2-69.3000107.8R606 N610 R784 N837R606-H608 PolarHBondContact O-N 3.22Å; H608-N610 PolarHBondContact O-N 3.12Å; H608-R784 PolarHBondContact O-NH1 3.35Å; H608-N837 PolarHBondContact CD2-ND2 3.29Å; H608-N837 VanDerWaalsContact CD2-ND2 3.26Å
609P38.2Very low38.7Very low75 Ų7583.6 Ų83.649%0.48742%0.417SS..PPolyproline II helixtrans-47.7137.2172.3-2330.6000108.7P611 Q614P609-P611 WeakPolarHBondContact O-CD 3.42Å; P609-Q614 HydrophobicContact CB-CG 4.37Å
610N39.5Very low39.3Very low7 Ų789.5 Ų89.54%0.03745%0.447CS..PPolyproline II helixtrans-51.1123.6175.5-165.9-29.8000107.9H608 M612 Y613 Q614 V782H608-N610 PolarHBondContact O-N 3.12Å; N610-M612 PolarHBondContact O-N 3.13Å; N610-M612 PolarHBondContact OD1-N 3.46Å; N610-Y613 HydrophobicContact CB-CD2 3.14Å; N610-Y613 HydrophobicContact CB-CE2 3.38Å; N610-Y613 HydrophobicContact CB-CG 4.04Å; N610-Y613 WeakPolarHBondContact O-CA 3.4Å; N610-Y613 WeakPolarHBondContact O-CB 3.27Å; N610-Y613 PolarHBondContact O-N 3.19Å; N610-Q614 PolarHBondContact O-N 2.82Å; N610-V782 PolarHBondContact ND2-O 3.3Å
611P39.3Very low40.4Very low68 Ų6890 Ų9044%0.44245%0.447SS..Hα-helixtrans-59.3-18.4-177.319.5-30.5000112.3P609 Q614 R615P609-P611 WeakPolarHBondContact O-CD 3.42Å; P611-Q614 PolarHBondContact O-N 3.39Å; P611-R615 WeakPolarHBondContact O-CG 3.38Å; P611-R615 PolarHBondContact O-N 3.16Å
612M41.8Very low41.7Very low53 Ų5391.1 Ų91.126%0.26146%0.463SS..Hα-helixtrans-69.5-37.3167.8-71.4-64.6-130.200113.5N610 Q614 R615 K780N610-M612 PolarHBondContact O-N 3.13Å; N610-M612 PolarHBondContact OD1-N 3.46Å; M612-Q614 PolarHBondContact O-N 3.1Å; M612-R615 PolarHBondContact O-N 3.46Å; M612-R615 VanDerWaalsContact O-N 3.15Å; M612-K780 HydrophobicContact CE-CB 4.21Å
613Y39.6Very low43Very low55 Ų5593.2 Ų93.222%0.21647%0.471CS..Hα-helixtrans-61.4-29.4173.6-69.1-56.8000111.7N610 R684 L688 D803N610-Y613 HydrophobicContact CB-CD2 3.14Å; N610-Y613 HydrophobicContact CB-CE2 3.38Å; N610-Y613 HydrophobicContact CB-CG 4.04Å; N610-Y613 WeakPolarHBondContact O-CA 3.4Å; N610-Y613 WeakPolarHBondContact O-CB 3.27Å; N610-Y613 PolarHBondContact O-N 3.19Å; Y613-R684 HydrophobicContact CD1-CB 3.99Å; Y613-R684 WeakPolarHBondContact O-CD 3.03Å; Y613-L688 HydrophobicContact CD1-CD1 3.41Å; Y613-L688 VanDerWaalsContact CD1-CD1 3.41Å; Y613-L688 HydrophobicContact CD1-CG 4.49Å; Y613-L688 HydrophobicContact CE1-CD1 3.26Å; Y613-L688 HydrophobicContact CE1-CG 4.45Å; Y613-L688 HydrophobicContact CG-CD1 4.36Å; Y613-D803 PolarHBondContact OH-OD2 2.91Å
614Q36.3Very low44.4Very low140 Ų14089.4 Ų89.465%0.65445%0.451SS*.Hα-helixtrans-82.7-16.7177.9-72.4-178.8-21.200114.2P609 N610 P611 M612P609-Q614 HydrophobicContact CB-CG 4.37Å; N610-Q614 PolarHBondContact O-N 2.82Å; P611-Q614 PolarHBondContact O-N 3.39Å; M612-Q614 PolarHBondContact O-N 3.1Å
615R39.4Very low45.7Very low190 Ų19092.5 Ų92.572%0.71747%0.467SS*.Hα-helixtrans-91.1-11.6-178.4-77.1178.2-178.5172.51.1114P611 M612 P617P611-R615 WeakPolarHBondContact O-CG 3.38Å; P611-R615 PolarHBondContact O-N 3.16Å; M612-R615 PolarHBondContact O-N 3.46Å; M612-R615 VanDerWaalsContact O-N 3.15Å; R615-P617 VanDerWaalsContact O-CD 3.24Å; R615-P617 WeakPolarHBondContact O-CD 3.39Å
616V40.7Very low47.6Very low42 Ų4291 Ų9126%0.25547%0.471SS..SBendtrans-79.9111.2175.5-174.50000108.3L618 A687 L688V616-L618 PolarHBondContact O-N 3.01Å; V616-A687 HydrophobicContact CG1-CB 4Å; V616-L688 HydrophobicContact CG2-CD2 4.03Å
617P38Very low49.8Very low90 Ų9083.8 Ų83.858%0.58445%0.446SS*.  trans-62.7138.1177.1-1630.7000109.7R615 L619R615-P617 VanDerWaalsContact O-CD 3.24Å; R615-P617 WeakPolarHBondContact O-CD 3.39Å; P617-L619 HydrophobicContact CB-CB 4.37Å; P617-L619 HydrophobicContact CB-CD1 4.28Å; P617-L619 PolarHBondContact O-N 3.42Å
618L43Very low52.1Low118 Ų11884 Ų8462%0.61845%0.446SS*.SBendtrans-69.520.4172.2-72.4165.3000113V616V616-L618 PolarHBondContact O-N 3.01Å
619L40.1Very low54.8Low145 Ų14578.6 Ų78.676%0.75942%0.421SS*.SBendtrans-82.2135.9173.7-75.4161.3000108.4P617 N621P617-L619 HydrophobicContact CB-CB 4.37Å; P617-L619 HydrophobicContact CB-CD1 4.28Å; P617-L619 PolarHBondContact O-N 3.42Å; L619-N621 PolarHBondContact O-N 3.39Å
620L44.1Very low57.1Low144 Ų14478.6 Ų78.675%0.75442%0.42SS*.  trans-27.598.1177.1-15975.7000112.8S622 L625L620-S622 PolarHBondContact O-N 3.43Å; L620-L625 HydrophobicContact CD1-CD1 4Å; L620-L625 HydrophobicContact CD1-CD2 4.5Å; L620-L625 HydrophobicContact CD1-CG 4.49Å; L620-L625 HydrophobicContact CD2-CD1 3.57Å; L620-L625 HydrophobicContact CG-CD1 3.52Å; L620-L625 HydrophobicContact CG-CG 4.32Å
621N58.5Low59.4Low41 Ų4181 Ų8122%0.21943%0.429CS..  trans-71.8105.7179.5-175.6-22.7000108L619 K623 L624 L625L619-N621 PolarHBondContact O-N 3.39Å; N621-K623 PolarHBondContact O-N 2.92Å; N621-K623 VanDerWaalsContact O-N 3.11Å; N621-K623 WeakPolarHBondContact OD1-CA 3.34Å; N621-K623 WeakPolarHBondContact OD1-CB 3.3Å; N621-K623 PolarHBondContact OD1-N 2.92Å; N621-L624 HydrophobicContact CB-CB 4.14Å; N621-L624 HydrophobicContact CB-CD1 3.92Å; N621-L624 HydrophobicContact CB-CG 3.88Å; N621-L624 PolarHBondContact O-N 2.84Å; N621-L624 PolarHBondContact OD1-N 2.89Å; N621-L625 PolarHBondContact O-N 3.29Å; N621-L625 VanDerWaalsContact O-N 3.13Å
622S62.2Low61.6Low96 Ų9685.3 Ų85.367%0.67145%0.448SS*.Hα-helixtrans-55.5-26.8179.550.60000112.9L620 A626L620-S622 PolarHBondContact O-N 3.43Å; S622-A626 WeakPolarHBondContact O-CB 3.43Å; S622-A626 PolarHBondContact O-N 3.21Å
623K65Low63.8Low81 Ų8186.5 Ų86.535%0.35246%0.456SS..Hα-helixtrans-74.7-37.2175.8-150.8177.1-166.2-173.90112.5N621 A626 L627 A690 E691N621-K623 PolarHBondContact O-N 2.92Å; N621-K623 VanDerWaalsContact O-N 3.11Å; N621-K623 WeakPolarHBondContact OD1-CA 3.34Å; N621-K623 WeakPolarHBondContact OD1-CB 3.3Å; N621-K623 PolarHBondContact OD1-N 2.92Å; K623-A626 PolarHBondContact O-N 2.89Å; K623-L627 VanDerWaalsContact O-CG 3.3Å; K623-L627 WeakPolarHBondContact O-CG 3.49Å; K623-L627 PolarHBondContact O-N 3.22Å; K623-L627 VanDerWaalsContact O-N 3.1Å; K623-A690 HydrophobicContact CD-CB 4.21Å; K623-A690 WeakPolarHBondContact CE-O 3.42Å; K623-A690 HydrophobicContact CG-CB 4.5Å; K623-A690 PolarHBondContact NZ-O 2.8Å; K623-E691 VanDerWaalsContact CD-OE1 3.3Å; K623-E691 WeakPolarHBondContact CD-OE1 3.28Å; K623-E691 IonicContact NZ-OE1 2.76Å; K623-E691 IonicContact NZ-OE2 3.83Å; K623-E691 PolarHBondContact NZ-OE2 2.92Å
624L70.4Confident66.4Low22 Ų2285.2 Ų85.212%0.11545%0.452CS..Hα-helixtrans-68-37.8173.4-66.9-178.9000111.6N621 A626 L627 E628 A686 A687 A690 V703N621-L624 HydrophobicContact CB-CB 4.14Å; N621-L624 HydrophobicContact CB-CD1 3.92Å; N621-L624 HydrophobicContact CB-CG 3.88Å; N621-L624 PolarHBondContact O-N 2.84Å; N621-L624 PolarHBondContact OD1-N 2.89Å; L624-A626 VanDerWaalsContact C-N 3.34Å; L624-L627 CarbonylContact O-C 3.49Å; L624-L627 PolarHBondContact O-N 3.18Å; L624-E628 PolarHBondContact O-N 3.22Å; L624-A686 HydrophobicContact CD1-CB 4.32Å; L624-A686 HydrophobicContact CD2-CB 3.91Å; L624-A687 HydrophobicContact CD1-CB 4.21Å; L624-A690 HydrophobicContact CD2-CB 4.07Å; L624-V703 HydrophobicContact CD2-CG2 4.03Å
625L71.3Confident69Low81 Ų8183.3 Ų83.342%0.42444%0.444SS..Hα-helixtrans-65.3-37.2172.9-71.3179000112.5L620 N621 L627 E628L620-L625 HydrophobicContact CD1-CD1 4Å; L620-L625 HydrophobicContact CD1-CD2 4.5Å; L620-L625 HydrophobicContact CD1-CG 4.49Å; L620-L625 HydrophobicContact CD2-CD1 3.57Å; L620-L625 HydrophobicContact CG-CD1 3.52Å; L620-L625 HydrophobicContact CG-CG 4.32Å; N621-L625 PolarHBondContact O-N 3.29Å; N621-L625 VanDerWaalsContact O-N 3.13Å; L625-L627 PolarHBondContact O-N 2.97Å; L625-E628 VanDerWaalsContact O-CB 3.3Å; L625-E628 WeakPolarHBondContact O-CB 3.17Å; L625-E628 PolarHBondContact O-N 3.25Å
626A77.9Confident71.6Confident85 Ų8579.9 Ų79.970%0.70243%0.431SS*.Hα-helixtrans-67.3-24.5174.400000112.8S622 K623 L624S622-A626 WeakPolarHBondContact O-CB 3.43Å; S622-A626 PolarHBondContact O-N 3.21Å; K623-A626 PolarHBondContact O-N 2.89Å; L624-A626 VanDerWaalsContact C-N 3.34Å
627L86.5Confident73.9Confident43 Ų4380.3 Ų80.323%0.22543%0.434CS..THydrogen-bonded Turntrans-90.54.7175.2-68.4170.8000112.9K623 L624 L625 Y629 A690 L700 G702 V703K623-L627 VanDerWaalsContact O-CG 3.3Å; K623-L627 WeakPolarHBondContact O-CG 3.49Å; K623-L627 PolarHBondContact O-N 3.22Å; K623-L627 VanDerWaalsContact O-N 3.1Å; L624-L627 CarbonylContact O-C 3.49Å; L624-L627 PolarHBondContact O-N 3.18Å; L625-L627 PolarHBondContact O-N 2.97Å; L627-Y629 PolarHBondContact O-N 3.23Å; L627-A690 HydrophobicContact CD1-CB 3.87Å; L627-L700 HydrophobicContact CD1-CD2 4.17Å; L627-L700 HydrophobicContact CD1-CG 4.49Å; L627-G702 CarbonylContact O-C 3.46Å; L627-G702 VanDerWaalsContact O-CA 3.28Å; L627-G702 WeakPolarHBondContact O-CA 3.28Å; L627-V703 HydrophobicContact CB-CB 4.47Å; L627-V703 HydrophobicContact CB-CG2 4.13Å; L627-V703 PolarHBondContact O-N 2.87Å
628E87.8Confident76Confident63 Ų6381.4 Ų81.429%0.29443%0.426SS..BIsolated β-bridgetrans-62.7124.6-177.1-170.969.3-168.100111L624 L625 V703 A705 V706L624-E628 PolarHBondContact O-N 3.22Å; L625-E628 VanDerWaalsContact O-CB 3.3Å; L625-E628 WeakPolarHBondContact O-CB 3.17Å; L625-E628 PolarHBondContact O-N 3.25Å; E628-V703 CarbonylContact C-O 3.46Å; E628-V703 VanDerWaalsContact CA-O 3.26Å; E628-V703 WeakPolarHBondContact CA-O 3.21Å; E628-A705 PolarHBondContact OE1-N 3.21Å; E628-A705 VanDerWaalsContact OE1-N 3.15Å; E628-A705 WeakPolarHBondContact OE2-CB 3.36Å; E628-A705 PolarHBondContact OE2-N 3.4Å; E628-V706 HydrophobicContact CG-CG2 4.41Å; E628-V706 WeakPolarHBondContact OE1-CB 3.37Å; E628-V706 PolarHBondContact OE1-N 3.03Å
629Y90.4Very high77.9Confident12 Ų1279.8 Ų79.85%0.04742%0.418CS..  trans-118.4134.9179.1-174.5-97.9000110.4L627 R631 N633 I634 A653 P654 L656 V703 C704 L713L627-Y629 PolarHBondContact O-N 3.23Å; Y629-R631 PolarHBondContact O-N 3.21Å; Y629-N633 HydrophobicContact CE1-CB 3.94Å; Y629-N633 WeakPolarHBondContact OH-CB 3.36Å; Y629-I634 HydrophobicContact CD1-CD1 4.35Å; Y629-I634 HydrophobicContact CD1-CG1 3.84Å; Y629-I634 HydrophobicContact CE1-CG1 3.66Å; Y629-A653 HydrophobicContact CE1-CB 4.19Å; Y629-A653 HydrophobicContact CE2-CB 4.48Å; Y629-A653 VanDerWaalsContact OH-C 3.3Å; Y629-A653 WeakPolarHBondContact OH-CA 3.38Å; Y629-P654 WeakPolarHBondContact OH-CD 3.4Å; Y629-P654 PolarHBondContact OH-O 3.34Å; Y629-L656 HydrophobicContact CD2-CB 4.38Å; Y629-L656 HydrophobicContact CD2-CD1 3.54Å; Y629-L656 HydrophobicContact CE2-CB 3.97Å; Y629-L656 HydrophobicContact CE2-CD1 4.01Å; Y629-L656 HydrophobicContact CG-CD1 4.11Å; Y629-V703 PolarHBondContact N-O 3.25Å; Y629-C704 PolarHBondContact O-SG 2.65Å; Y629-L713 HydrophobicContact CD1-CD2 3.7Å; Y629-L713 HydrophobicContact CE1-CD2 4.2Å; Y629-L713 HydrophobicContact CG-CD2 4.04Å
630P87Confident79.6Confident74 Ų7476.3 Ų76.348%0.48140%0.4SS..  trans-62.2111.3179.1-22.233.1000112.3N632 N633P630-N632 PolarHBondContact O-N 3.43Å; P630-N632 VanDerWaalsContact O-N 3.12Å; P630-N633 HydrophobicContact CB-CB 4.43Å; P630-N633 WeakPolarHBondContact O-CB 3.49Å; P630-N633 PolarHBondContact O-N 3.39Å
631R87.4Confident80.8Confident59 Ų5970.5 Ų70.522%0.22337%0.374CS..G310 helixtrans-51.7-39.6-178.1-173.1-174.7-65.8101.16.6113.4Y629 N633 I634 C704 V706 G707 P709Y629-R631 PolarHBondContact O-N 3.21Å; R631-N633 PolarHBondContact O-N 2.97Å; R631-I634 WeakPolarHBondContact O-CB 3.41Å; R631-I634 WeakPolarHBondContact O-CG1 3.44Å; R631-I634 PolarHBondContact O-N 2.82Å; R631-I634 VanDerWaalsContact O-N 3.13Å; R631-C704 HydrophobicContact CB-CB 4.24Å; R631-C704 PolarHBondContact NH2-O 2.91Å; R631-V706 PolarHBondContact NH1-O 3.02Å; R631-V706 PolarHBondContact NH2-O 2.8Å; R631-G707 PolarHBondContact NH2-O 3.34Å; R631-P709 PolarHBondContact NE-O 2.79Å; R631-P709 PolarHBondContact NH2-O 2.89Å
632N85.2Confident81.1Confident157 Ų15772.8 Ų72.884%0.8438%0.384SS*.G310 helixtrans-67.9-16.2-177.6-65-13.4000113.5P630P630-N632 PolarHBondContact O-N 3.43Å; P630-N632 VanDerWaalsContact O-N 3.12Å
633N89.8Confident81.1Confident79 Ų7968.6 Ų68.642%0.42236%0.356SS..G310 helixtrans-86-11.1176.8-67.2-0.4000112.4Y629 P630 R631 Q635 P654Y629-N633 HydrophobicContact CE1-CB 3.94Å; Y629-N633 WeakPolarHBondContact OH-CB 3.36Å; P630-N633 HydrophobicContact CB-CB 4.43Å; P630-N633 WeakPolarHBondContact O-CB 3.49Å; P630-N633 PolarHBondContact O-N 3.39Å; R631-N633 PolarHBondContact O-N 2.97Å; N633-Q635 PolarHBondContact O-N 3.28Å; N633-P654 VanDerWaalsContact O-CD 3.23Å; N633-P654 WeakPolarHBondContact O-CD 3.49Å
634I92.9Very high80.8Confident27 Ų2767.5 Ų67.514%0.13836%0.362CS..  trans-70.2114.8177.6-58.2176.3000109.1Y629 R631 F649 A651 V667 L713Y629-I634 HydrophobicContact CD1-CD1 4.35Å; Y629-I634 HydrophobicContact CD1-CG1 3.84Å; Y629-I634 HydrophobicContact CE1-CG1 3.66Å; R631-I634 WeakPolarHBondContact O-CB 3.41Å; R631-I634 WeakPolarHBondContact O-CG1 3.44Å; R631-I634 PolarHBondContact O-N 2.82Å; R631-I634 VanDerWaalsContact O-N 3.13Å; I634-F649 HydrophobicContact CG2-CE2 4.08Å; I634-A651 HydrophobicContact CG2-CB 3.54Å; I634-V667 HydrophobicContact CG2-CG2 4.05Å; I634-L713 HydrophobicContact CD1-CD1 3.98Å; I634-L713 HydrophobicContact CD1-CD2 4.29Å; I634-L713 HydrophobicContact CD1-CG 4.42Å; I634-L713 HydrophobicContact CG1-CD2 4.38Å
635Q92.2Very high80.5Confident101 Ų10168 Ų6847%0.47236%0.363SS..EExtended strand (participates in β ladder)trans-97.8104.6178.2-61.6178.2400109.8N633 A651 R652N633-Q635 PolarHBondContact O-N 3.28Å; Q635-A651 CarbonylContact O-C 3.49Å; Q635-A651 WeakPolarHBondContact O-CA 3.35Å; Q635-A651 WeakPolarHBondContact O-CB 3.32Å; Q635-R652 HydrophobicContact CB-CB 4.2Å; Q635-R652 PolarHBondContact N-O 3.38Å; Q635-R652 PolarHBondContact O-N 2.89Å
636Y92.6Very high80.6Confident118 Ų11864.2 Ų64.246%0.46334%0.344SS..EExtended strand (participates in β ladder)trans-56.5139.2177.1173.6-91.7000112.2R638 D639 F649Y636-R638 VanDerWaalsContact CZ-CA 3.48Å; Y636-R638 WeakPolarHBondContact OH-CA 3.49Å; Y636-D639 PolarHBondContact OH-N 3.09Å; Y636-D639 PolarHBondContact OH-OD2 3.06Å; Y636-F649 HydrophobicContact CD2-CB 4Å; Y636-F649 AromaticContact CD2-CD2 3.52Å; Y636-F649 HydrophobicContact CD2-CD2 3.52Å; Y636-F649 HydrophobicContact CD2-CE2 4.09Å; Y636-F649 AromaticContact CD2-CG 3.82Å; Y636-F649 HydrophobicContact CD2-CG 3.82Å; Y636-F649 HydrophobicContact CE2-CB 3.71Å; Y636-F649 HydrophobicContact CE2-CD2 4.14Å; Y636-F649 HydrophobicContact CE2-CG 4.01Å
637V90.2Very high80.8Confident51 Ų5165.5 Ų65.531%0.30933%0.331SS..EExtended strand (participates in β ladder)trans-113.8-61.5173.9179.40000110.5Q650 R652V637-Q650 HydrophobicContact CB-CB 4.17Å; V637-Q650 HydrophobicContact CB-CG 4.16Å; V637-Q650 WeakPolarHBondContact CB-O 3.36Å; V637-Q650 HydrophobicContact CG1-CG 4.44Å; V637-Q650 PolarHBondContact N-O 2.87Å; V637-R652 HydrophobicContact CG2-CG 4.05Å
638R81.6Confident80.8Confident113 Ų11363.7 Ų63.743%0.42632%0.322SS..EExtended strand (participates in β ladder)trans-162.8154.2-179.264.2-179.1-177.193.51.4111.8Y636 F649 Q650 Y716Y636-R638 VanDerWaalsContact CZ-CA 3.48Å; Y636-R638 WeakPolarHBondContact OH-CA 3.49Å; R638-F649 CarbonylContact O-C 3.36Å; R638-F649 WeakPolarHBondContact O-CA 3.3Å; R638-F649 WeakPolarHBondContact O-CB 3.37Å; R638-Q650 HydrophobicContact CG-CB 3.97Å; R638-Q650 PolarHBondContact N-O 2.97Å; R638-Q650 PolarHBondContact O-N 2.79Å; R638-Y716 PolarHBondContact NH2-OH 3.49Å
639D82Confident80.8Confident84 Ų8461 Ų6145%0.44931%0.309SS..EExtended strand (participates in β ladder)trans-69.1141.8169.7-66.6-45.2000111.2Y636Y636-D639 PolarHBondContact OH-N 3.09Å; Y636-D639 PolarHBondContact OH-OD2 3.06Å
640I76.6Confident80.9Confident72 Ų7261.3 Ų61.337%0.36931%0.311SS..EExtended strand (participates in β ladder)trans-112.2-33.5177.4-54.1167.4000110.3V648 Q650 A666 Y716I640-V648 PolarHBondContact N-O 3.11Å; I640-Q650 HydrophobicContact CD1-CB 3.78Å; I640-Q650 HydrophobicContact CG1-CB 4.01Å; I640-A666 HydrophobicContact CD1-CB 4.41Å; I640-Y716 HydrophobicContact CD1-CD2 4.17Å; I640-Y716 HydrophobicContact CD1-CE2 3.76Å
641G68.8Low81.2Confident21 Ų2157.8 Ų57.822%0.21629%0.288CS..EExtended strand (participates in β ladder)trans-177.1177.817700000113.8V648G641-V648 PolarHBondContact N-O 3.17Å; G641-V648 PolarHBondContact O-N 3.02Å; G641-V648 VanDerWaalsContact O-O 3.11Å
642E65.5Low81.5Confident89 Ų8959.9 Ų59.942%0.41630%0.296SS..EExtended strand (participates in β ladder)trans-129126.5173.5-166.5-176175.800109.4K671E642-K671 WeakPolarHBondContact OE1-CE 3.39Å; E642-K671 IonicContact OE1-NZ 3.6Å; E642-K671 PolarHBondContact OE1-NZ 3.49Å
643G61.5Low82Confident9 Ų952.4 Ų52.49%0.09326%0.256CS..EExtended strand (participates in β ladder)trans-114.4-172.1178.400000114.5F645 G646G643-F645 VanDerWaalsContact C-N 3.26Å; G643-F645 PolarHBondContact O-N 3.13Å; G643-G646 PolarHBondContact N-O 3.21Å; G643-G646 PolarHBondContact O-N 3.41Å
644A59.1Low82.2Confident58 Ų5850.5 Ų50.548%0.47925%0.248SC..THydrogen-bonded Turntrans-58.4-34.4-174.400000113.9G805A644-G805 PolarHBondContact N-O 3.44Å
645F64Low82Confident32 Ų3252 Ų5214%0.1427%0.271CS..THydrogen-bonded Turntrans-91.1-18.5-178.2-61.9-70.2000114G643 L670 K671 M678 D681 F682 E685G643-F645 VanDerWaalsContact C-N 3.26Å; G643-F645 PolarHBondContact O-N 3.13Å; F645-L670 HydrophobicContact CB-CD1 3.94Å; F645-L670 HydrophobicContact CD1-CD1 4.27Å; F645-K671 PolarHBondContact O-N 3.14Å; F645-K671 VanDerWaalsContact O-N 3.14Å; F645-M678 HydrophobicContact CD1-CB 4.43Å; F645-D681 HydrophobicContact CE1-CB 3.65Å; F645-D681 HydrophobicContact CZ-CB 3.88Å; F645-F682 HydrophobicContact CB-CD2 3.81Å; F645-F682 HydrophobicContact CB-CE2 4.16Å; F645-F682 HydrophobicContact CD1-CB 4.42Å; F645-F682 HydrophobicContact CD1-CD2 4.3Å; F645-F682 HydrophobicContact CD2-CD2 4.19Å; F645-F682 AromaticContact CG-CD2 3.85Å; F645-F682 HydrophobicContact CG-CD2 3.85Å; F645-E685 VanDerWaalsContact CE2-OE2 3.27Å; F645-E685 WeakPolarHBondContact CE2-OE2 3.5Å
646G73Confident82Confident2 Ų248.5 Ų48.52%0.02126%0.255CS..EExtended strand (participates in β ladder)trans150.4-161.8-171.700000113.7G643 M669G643-G646 PolarHBondContact N-O 3.21Å; G643-G646 PolarHBondContact O-N 3.41Å; G646-M669 CarbonylContact C-O 3.59Å; G646-M669 WeakPolarHBondContact CA-O 3.44Å
647R82.9Confident81.8Confident111 Ų11145.1 Ų45.142%0.41924%0.244SC..EExtended strand (participates in β ladder)trans-84.6154.2-174.866.3172.9-179.5172.1-1.7112.7F649 M669R647-F649 HydrophobicContact CG-CD1 4.24Å; R647-M669 HydrophobicContact CG-CB 4.29Å; R647-M669 PolarHBondContact N-O 2.97Å; R647-M669 PolarHBondContact O-N 2.93Å
648V86.4Confident81.6Confident6 Ų649 Ų494%0.03627%0.27CS..EExtended strand (participates in β ladder)trans-126.7128172.7-176.20000110.1I640 G641 V667 K668 L806I640-V648 PolarHBondContact N-O 3.11Å; G641-V648 PolarHBondContact N-O 3.17Å; G641-V648 PolarHBondContact O-N 3.02Å; G641-V648 VanDerWaalsContact O-O 3.11Å; V648-V667 VanDerWaalsContact CA-O 3.27Å; V648-V667 WeakPolarHBondContact CA-O 3.47Å; V648-K668 HydrophobicContact CG2-CB 4.06Å; V648-K668 HydrophobicContact CG2-CG 3.81Å; V648-L806 HydrophobicContact CB-CD1 3.97Å; V648-L806 HydrophobicContact CB-CD2 4.45Å; V648-L806 HydrophobicContact CG1-CD1 4.02Å; V648-L806 HydrophobicContact CG2-CD1 3.41Å; V648-L806 VanDerWaalsContact CG2-CD1 3.41Å; V648-L806 HydrophobicContact CG2-CD2 3.24Å; V648-L806 HydrophobicContact CG2-CG 3.93Å
649F88.1Confident81.8Confident5 Ų549.8 Ų49.82%0.02229%0.288CS..EExtended strand (participates in β ladder)trans-138.6153.3-174.860.2-91.3000111.9I634 Y636 R638 R647 A651 V667 M669I634-F649 HydrophobicContact CG2-CE2 4.08Å; Y636-F649 HydrophobicContact CD2-CB 4Å; Y636-F649 AromaticContact CD2-CD2 3.52Å; Y636-F649 HydrophobicContact CD2-CD2 3.52Å; Y636-F649 HydrophobicContact CD2-CE2 4.09Å; Y636-F649 AromaticContact CD2-CG 3.82Å; Y636-F649 HydrophobicContact CD2-CG 3.82Å; Y636-F649 HydrophobicContact CE2-CB 3.71Å; Y636-F649 HydrophobicContact CE2-CD2 4.14Å; Y636-F649 HydrophobicContact CE2-CG 4.01Å; R638-F649 CarbonylContact O-C 3.36Å; R638-F649 WeakPolarHBondContact O-CA 3.3Å; R638-F649 WeakPolarHBondContact O-CB 3.37Å; R647-F649 HydrophobicContact CG-CD1 4.24Å; F649-A651 HydrophobicContact CD2-CB 4.08Å; F649-A651 HydrophobicContact CE2-CB 3.92Å; F649-V667 HydrophobicContact CD1-CB 4.35Å; F649-V667 HydrophobicContact CD2-CB 4Å; F649-V667 HydrophobicContact CD2-CG2 4.27Å; F649-V667 HydrophobicContact CE1-CB 3.96Å; F649-V667 HydrophobicContact CE1-CG1 3.92Å; F649-V667 HydrophobicContact CE2-CB 3.6Å; F649-V667 HydrophobicContact CE2-CG1 4.02Å; F649-V667 HydrophobicContact CE2-CG2 3.79Å; F649-V667 HydrophobicContact CG-CB 4.37Å; F649-V667 HydrophobicContact CZ-CB 3.57Å; F649-V667 HydrophobicContact CZ-CG1 3.51Å; F649-V667 HydrophobicContact CZ-CG2 4.17Å; F649-V667 PolarHBondContact N-O 3.4Å; F649-V667 PolarHBondContact O-N 3.26Å; F649-M669 HydrophobicContact CE1-CB 3.95Å; F649-M669 HydrophobicContact CE1-CE 3.62Å; F649-M669 HydrophobicContact CE1-SD 4.09Å; F649-M669 HydrophobicContact CZ-CE 3.67Å
650Q91.4Very high82.1Confident19 Ų1949.3 Ų49.39%0.08928%0.283CS..EExtended strand (participates in β ladder)trans-75.6135.3170.6-169.5175.42.700109.1V637 R638 I640 M664 Y716V637-Q650 HydrophobicContact CB-CB 4.17Å; V637-Q650 HydrophobicContact CB-CG 4.16Å; V637-Q650 WeakPolarHBondContact CB-O 3.36Å; V637-Q650 HydrophobicContact CG1-CG 4.44Å; V637-Q650 PolarHBondContact N-O 2.87Å; R638-Q650 HydrophobicContact CG-CB 3.97Å; R638-Q650 PolarHBondContact N-O 2.97Å; R638-Q650 PolarHBondContact O-N 2.79Å; I640-Q650 HydrophobicContact CD1-CB 3.78Å; I640-Q650 HydrophobicContact CG1-CB 4.01Å; Q650-M664 HydrophobicContact CG-CG 4.34Å; Q650-M664 HydrophobicContact CG-SD 3.56Å; Q650-M664 VanDerWaalsContact CG-SD 3.56Å; Q650-M664 PolarHBondContact NE2-SD 2.92Å; Q650-Y716 HydrophobicContact CB-CE2 4.23Å; Q650-Y716 HydrophobicContact CG-CD2 4Å; Q650-Y716 HydrophobicContact CG-CE2 3.73Å
651A94.1Very high82.7Confident0 Ų051.3 Ų51.30%030%0.301CS..EExtended strand (participates in β ladder)trans-143.5157.8175.200000112.3I634 Q635 F649 V665 V667I634-A651 HydrophobicContact CG2-CB 3.54Å; Q635-A651 CarbonylContact O-C 3.49Å; Q635-A651 WeakPolarHBondContact O-CA 3.35Å; Q635-A651 WeakPolarHBondContact O-CB 3.32Å; F649-A651 HydrophobicContact CD2-CB 4.08Å; F649-A651 HydrophobicContact CE2-CB 3.92Å; A651-V665 HydrophobicContact CB-CG2 4.07Å; A651-V665 PolarHBondContact N-O 3Å; A651-V665 WeakPolarHBondContact O-CG2 3.28Å; A651-V665 PolarHBondContact O-N 2.95Å; A651-V667 HydrophobicContact CB-CG2 3.6Å
652R94.9Very high83.8Confident103 Ų10354.2 Ų54.239%0.38931%0.308SS..EExtended strand (participates in β ladder)trans-93.6133.2163.7-57.6-179.7178.6115.9-0.5108.6Q635 V637 P654 F662 M664Q635-R652 HydrophobicContact CB-CB 4.2Å; Q635-R652 PolarHBondContact N-O 3.38Å; Q635-R652 PolarHBondContact O-N 2.89Å; V637-R652 HydrophobicContact CG2-CG 4.05Å; R652-P654 WeakPolarHBondContact O-CD 3.46Å; R652-F662 HydrophobicContact CB-CB 4.34Å; R652-F662 HydrophobicContact CB-CD2 3.68Å; R652-F662 HydrophobicContact CB-CE2 4.31Å; R652-F662 HydrophobicContact CB-CG 4.14Å; R652-F662 HydrophobicContact CG-CD2 3.62Å; R652-F662 HydrophobicContact CG-CE2 3.72Å; R652-F662 HydrophobicContact CG-CG 4.38Å; R652-M664 HydrophobicContact CG-CE 3.91Å; R652-M664 HydrophobicContact CG-SD 4.34Å
653A95.3Very high85.1Confident0 Ų050.4 Ų50.40%029%0.29CS..EExtended strand (participates in β ladder)trans-118.291.217700000109.6Y629 L656 T663 V665 L713Y629-A653 HydrophobicContact CE1-CB 4.19Å; Y629-A653 HydrophobicContact CE2-CB 4.48Å; Y629-A653 VanDerWaalsContact OH-C 3.3Å; Y629-A653 WeakPolarHBondContact OH-CA 3.38Å; A653-L656 HydrophobicContact CB-CB 3.81Å; A653-L656 HydrophobicContact CB-CD2 3.79Å; A653-L656 HydrophobicContact CB-CG 4.37Å; A653-L656 WeakPolarHBondContact O-CB 3.43Å; A653-L656 PolarHBondContact O-N 3.32Å; A653-T663 PolarHBondContact N-O 3.2Å; A653-T663 PolarHBondContact O-N 3.23Å; A653-V665 HydrophobicContact CB-CG1 4.2Å; A653-V665 HydrophobicContact CB-CG2 4Å; A653-L713 HydrophobicContact CB-CD2 4.12Å
654P93.8Very high86.7Confident39 Ų3952.5 Ų52.525%0.25330%0.299SS..EExtended strand (participates in β ladder)trans-59.7135.2176.7-22.534.3000112Y629 N633 R652 L656 F662Y629-P654 WeakPolarHBondContact OH-CD 3.4Å; Y629-P654 PolarHBondContact OH-O 3.34Å; N633-P654 VanDerWaalsContact O-CD 3.23Å; N633-P654 WeakPolarHBondContact O-CD 3.49Å; R652-P654 WeakPolarHBondContact O-CD 3.46Å; P654-L656 PolarHBondContact O-N 3.49Å; P654-F662 HydrophobicContact CB-CB 4.48Å; P654-F662 HydrophobicContact CG-CB 4.36Å
655G88.7Confident88.4Confident60 Ų6049.8 Ų49.862%0.61928%0.276SS*.THydrogen-bonded Turntrans64.816.4178.100000115.2
656L91.1Very high89.7Confident27 Ų2748.6 Ų48.614%0.14127%0.272CS..SBendtrans-70-46.5174.4-178.367000111.2Y629 A653 P654 T663 V665 L701 L713Y629-L656 HydrophobicContact CD2-CB 4.38Å; Y629-L656 HydrophobicContact CD2-CD1 3.54Å; Y629-L656 HydrophobicContact CE2-CB 3.97Å; Y629-L656 HydrophobicContact CE2-CD1 4.01Å; Y629-L656 HydrophobicContact CG-CD1 4.11Å; A653-L656 HydrophobicContact CB-CB 3.81Å; A653-L656 HydrophobicContact CB-CD2 3.79Å; A653-L656 HydrophobicContact CB-CG 4.37Å; A653-L656 WeakPolarHBondContact O-CB 3.43Å; A653-L656 PolarHBondContact O-N 3.32Å; P654-L656 PolarHBondContact O-N 3.49Å; L656-T663 HydrophobicContact CD2-CG2 4.18Å; L656-V665 HydrophobicContact CD2-CG1 3.47Å; L656-V665 VanDerWaalsContact CD2-CG1 3.47Å; L656-L701 HydrophobicContact CD2-CB 3.83Å; L656-L701 HydrophobicContact CD2-CD1 4.15Å; L656-L701 HydrophobicContact CG-CB 4.45Å; L656-L713 HydrophobicContact CD1-CD2 4.46Å; L656-L713 HydrophobicContact CD2-CD2 4.26Å
657L89.3Confident90.6Very high47 Ų4748.5 Ų48.525%0.24627%0.271CS..SBendtrans-109.4132168.1-63.3179.5000109.5T659 E660 T663L657-T659 PolarHBondContact O-N 2.93Å; L657-T659 VanDerWaalsContact O-N 3.12Å; L657-E660 HydrophobicContact CB-CG 4.19Å; L657-T663 HydrophobicContact CD1-CG2 4.07Å; L657-T663 HydrophobicContact CG-CG2 4.39Å; L657-T663 PolarHBondContact N-OG1 2.91Å
658P85Confident90.9Very high131 Ų13143.3 Ų43.385%0.85125%0.251SS*.THydrogen-bonded Turntrans-63.7-18.6-176.6-23.533.2000114.9
659T85.6Confident91Very high131 Ų13144.2 Ų44.280%0.80426%0.256SS*.THydrogen-bonded Turntrans-84.8-10-17149.50000114L657L657-T659 PolarHBondContact O-N 2.93Å; L657-T659 VanDerWaalsContact O-N 3.12Å
660E89.6Confident90.8Very high73 Ų7344.4 Ų44.434%0.34126%0.257SS..SBendtrans-140.4152.1-173.761-175.1170.500111.8L657 F662 T663L657-E660 HydrophobicContact CB-CG 4.19Å; E660-F662 VanDerWaalsContact C-N 3.27Å; E660-F662 PolarHBondContact O-N 3.13Å; E660-T663 VanDerWaalsContact OE1-CA 3.23Å; E660-T663 WeakPolarHBondContact OE1-CA 3.5Å; E660-T663 WeakPolarHBondContact OE1-CB 3.23Å; E660-T663 WeakPolarHBondContact OE1-CG2 3.49Å; E660-T663 PolarHBondContact OE1-OG1 3.35Å
661P88.4Confident90.3Very high114 Ų11447.5 Ų47.574%0.7427%0.27SS*.SBendtrans-63.4-34.4-177.824.6-34.5000112.6
662F92Very high89.5Confident83 Ų8353.7 Ų53.736%0.36430%0.299SS..EExtended strand (participates in β ladder)trans-153.8147.4169.664.5-91.2000109.8R652 P654 E660 M664R652-F662 HydrophobicContact CB-CB 4.34Å; R652-F662 HydrophobicContact CB-CD2 3.68Å; R652-F662 HydrophobicContact CB-CE2 4.31Å; R652-F662 HydrophobicContact CB-CG 4.14Å; R652-F662 HydrophobicContact CG-CD2 3.62Å; R652-F662 HydrophobicContact CG-CE2 3.72Å; R652-F662 HydrophobicContact CG-CG 4.38Å; P654-F662 HydrophobicContact CB-CB 4.48Å; P654-F662 HydrophobicContact CG-CB 4.36Å; E660-F662 VanDerWaalsContact C-N 3.27Å; E660-F662 PolarHBondContact O-N 3.13Å; F662-M664 HydrophobicContact CE2-CE 4.16Å
663T94.1Very high88.6Confident8 Ų856 Ų565%0.04931%0.314CS..EExtended strand (participates in β ladder)trans-95.2134.2173.2-500000109.6A653 L656 L657 E660 V665 L701A653-T663 PolarHBondContact N-O 3.2Å; A653-T663 PolarHBondContact O-N 3.23Å; L656-T663 HydrophobicContact CD2-CG2 4.18Å; L657-T663 HydrophobicContact CD1-CG2 4.07Å; L657-T663 HydrophobicContact CG-CG2 4.39Å; L657-T663 PolarHBondContact N-OG1 2.91Å; E660-T663 VanDerWaalsContact OE1-CA 3.23Å; E660-T663 WeakPolarHBondContact OE1-CA 3.5Å; E660-T663 WeakPolarHBondContact OE1-CB 3.23Å; E660-T663 WeakPolarHBondContact OE1-CG2 3.49Å; E660-T663 PolarHBondContact OE1-OG1 3.35Å; T663-V665 HydrophobicContact CG2-CG1 3.97Å; T663-L701 HydrophobicContact CG2-CD1 3.97Å
664M93.1Very high87.6Confident54 Ų5456.5 Ų56.527%0.26632%0.319SS..EExtended strand (participates in β ladder)trans-78.5126.4169.4-16962.16700109.6Q650 R652 F662 Y716Q650-M664 HydrophobicContact CG-CG 4.34Å; Q650-M664 HydrophobicContact CG-SD 3.56Å; Q650-M664 VanDerWaalsContact CG-SD 3.56Å; Q650-M664 PolarHBondContact NE2-SD 2.92Å; R652-M664 HydrophobicContact CG-CE 3.91Å; R652-M664 HydrophobicContact CG-SD 4.34Å; F662-M664 HydrophobicContact CE2-CE 4.16Å; M664-Y716 HydrophobicContact CB-CD1 4.45Å; M664-Y716 HydrophobicContact CG-CD1 3.56Å; M664-Y716 HydrophobicContact CG-CD2 4.49Å; M664-Y716 HydrophobicContact CG-CE1 4.27Å; M664-Y716 HydrophobicContact CG-CG 3.69Å; M664-Y716 WeakPolarHBondContact O-CB 3.26Å
665V94.8Very high86.7Confident0 Ų057.1 Ų57.10%032%0.324CS..EExtended strand (participates in β ladder)trans-131.6152.2-175-62.10000112.6A651 A653 L656 T663 V667 L701 L713 F714A651-V665 HydrophobicContact CB-CG2 4.07Å; A651-V665 PolarHBondContact N-O 3Å; A651-V665 WeakPolarHBondContact O-CG2 3.28Å; A651-V665 PolarHBondContact O-N 2.95Å; A653-V665 HydrophobicContact CB-CG1 4.2Å; A653-V665 HydrophobicContact CB-CG2 4Å; L656-V665 HydrophobicContact CD2-CG1 3.47Å; L656-V665 VanDerWaalsContact CD2-CG1 3.47Å; T663-V665 HydrophobicContact CG2-CG1 3.97Å; V665-V667 HydrophobicContact CG2-CG2 3.7Å; V665-L701 HydrophobicContact CG1-CD1 4Å; V665-L713 HydrophobicContact CB-CB 4.42Å; V665-L713 HydrophobicContact CG2-CD2 4.28Å; V665-L713 HydrophobicContact CG2-CG 4.36Å; V665-F714 CarbonylContact C-O 3.5Å; V665-F714 VanDerWaalsContact CA-O 3.28Å; V665-F714 WeakPolarHBondContact CA-O 3.5Å; V665-F714 VanDerWaalsContact CB-O 3.32Å; V665-F714 WeakPolarHBondContact CB-O 3.2Å
666A93Very high85.9Confident8 Ų857.4 Ų57.47%0.06632%0.321CS..EExtended strand (participates in β ladder)trans-95.2116163.100000108.7I640 F714 Y716I640-A666 HydrophobicContact CD1-CB 4.41Å; A666-F714 HydrophobicContact CB-CB 4.48Å; A666-F714 PolarHBondContact N-O 3.47Å; A666-F714 PolarHBondContact O-N 3.32Å; A666-Y716 HydrophobicContact CB-CD2 4.42Å
667V92Very high84.7Confident0 Ų061.5 Ų61.50%034%0.342CS..EExtended strand (participates in β ladder)trans-99.9115.5-177.5-171.40000109.5I634 V648 F649 A651 V665 C711 L712 L713I634-V667 HydrophobicContact CG2-CG2 4.05Å; V648-V667 VanDerWaalsContact CA-O 3.27Å; V648-V667 WeakPolarHBondContact CA-O 3.47Å; F649-V667 HydrophobicContact CD1-CB 4.35Å; F649-V667 HydrophobicContact CD2-CB 4Å; F649-V667 HydrophobicContact CD2-CG2 4.27Å; F649-V667 HydrophobicContact CE1-CB 3.96Å; F649-V667 HydrophobicContact CE1-CG1 3.92Å; F649-V667 HydrophobicContact CE2-CB 3.6Å; F649-V667 HydrophobicContact CE2-CG1 4.02Å; F649-V667 HydrophobicContact CE2-CG2 3.79Å; F649-V667 HydrophobicContact CG-CB 4.37Å; F649-V667 HydrophobicContact CZ-CB 3.57Å; F649-V667 HydrophobicContact CZ-CG1 3.51Å; F649-V667 HydrophobicContact CZ-CG2 4.17Å; F649-V667 PolarHBondContact N-O 3.4Å; F649-V667 PolarHBondContact O-N 3.26Å; A651-V667 HydrophobicContact CB-CG2 3.6Å; V665-V667 HydrophobicContact CG2-CG2 3.7Å; V667-C711 HydrophobicContact CG1-CB 3.89Å; V667-L712 CarbonylContact C-O 3.52Å; V667-L712 WeakPolarHBondContact CA-O 3.47Å; V667-L713 HydrophobicContact CG2-CG 4.25Å
668K89.1Confident83.7Confident1 Ų162.7 Ų62.70%0.00435%0.348CS..EExtended strand (participates in β ladder)trans-92.2120.2170-170.2179.7-178.2-178.60108.8V648 F682 E685 C711 L712 F714 L806V648-K668 HydrophobicContact CG2-CB 4.06Å; V648-K668 HydrophobicContact CG2-CG 3.81Å; K668-F682 HydrophobicContact CD-CE2 4.12Å; K668-F682 HydrophobicContact CG-CE2 3.99Å; K668-F682 HydrophobicContact CG-CZ 4.41Å; K668-E685 IonicContact NZ-OE1 2.77Å; K668-E685 PolarHBondContact NZ-OE1 3.19Å; K668-E685 IonicContact NZ-OE2 2.79Å; K668-E685 PolarHBondContact NZ-OE2 2.64Å; K668-C711 CarbonylContact O-C 3.55Å; K668-C711 VanDerWaalsContact O-CA 3.3Å; K668-C711 WeakPolarHBondContact O-CA 3.48Å; K668-L712 HydrophobicContact CB-CB 4.4Å; K668-L712 PolarHBondContact N-O 3.05Å; K668-L712 PolarHBondContact O-N 3.34Å; K668-F714 HydrophobicContact CB-CD2 4.44Å; K668-F714 HydrophobicContact CB-CE2 4.04Å; K668-F714 HydrophobicContact CD-CE2 4.32Å; K668-L806 HydrophobicContact CD-CD2 4.4Å; K668-L806 HydrophobicContact CG-CD2 4.46Å
669M86.9Confident83.2Confident25 Ų2559 Ų5912%0.12332%0.319CS..EExtended strand (participates in β ladder)trans-118.2128.8-173.9179.9-179.1-79.600111G646 R647 F649 P709 M710 C711G646-M669 CarbonylContact C-O 3.59Å; G646-M669 WeakPolarHBondContact CA-O 3.44Å; R647-M669 HydrophobicContact CG-CB 4.29Å; R647-M669 PolarHBondContact N-O 2.97Å; R647-M669 PolarHBondContact O-N 2.93Å; F649-M669 HydrophobicContact CE1-CB 3.95Å; F649-M669 HydrophobicContact CE1-CE 3.62Å; F649-M669 HydrophobicContact CE1-SD 4.09Å; F649-M669 HydrophobicContact CZ-CE 3.67Å; M669-P709 HydrophobicContact CE-CG 4.02Å; M669-P709 HydrophobicContact CG-CB 3.94Å; M669-P709 HydrophobicContact CG-CG 4Å; M669-P709 HydrophobicContact SD-CB 4.35Å; M669-P709 HydrophobicContact SD-CG 3.81Å; M669-M710 WeakPolarHBondContact CA-O 3.44Å; M669-C711 VanDerWaalsContact CE-SG 3.57Å
670L84.9Confident82.5Confident9 Ų954.9 Ų54.95%0.04729%0.292CS..  trans-74.6137.7174.3-173.768.5000110.3F645 A674 Q679 F682 P709 M710F645-L670 HydrophobicContact CB-CD1 3.94Å; F645-L670 HydrophobicContact CD1-CD1 4.27Å; L670-A674 HydrophobicContact CD1-CB 3.79Å; L670-A674 HydrophobicContact CD2-CB 4.09Å; L670-A674 HydrophobicContact CG-CB 3.74Å; L670-Q679 HydrophobicContact CD2-CB 4Å; L670-Q679 HydrophobicContact CD2-CG 3.96Å; L670-F682 HydrophobicContact CB-CD1 4.15Å; L670-F682 HydrophobicContact CB-CD2 4.39Å; L670-F682 HydrophobicContact CB-CE1 4.13Å; L670-F682 HydrophobicContact CB-CE2 4.35Å; L670-F682 HydrophobicContact CB-CG 4.28Å; L670-F682 HydrophobicContact CB-CZ 4.22Å; L670-F682 HydrophobicContact CD1-CB 4.09Å; L670-F682 HydrophobicContact CD1-CD2 4.11Å; L670-F682 HydrophobicContact CD1-CG 4.07Å; L670-F682 HydrophobicContact CD2-CB 4.34Å; L670-F682 HydrophobicContact CD2-CD1 4.37Å; L670-F682 HydrophobicContact CD2-CG 4.39Å; L670-F682 HydrophobicContact CG-CG 4.49Å; L670-P709 VanDerWaalsContact O-CB 3.31Å; L670-P709 WeakPolarHBondContact O-CB 3.33Å; L670-M710 HydrophobicContact CB-CB 4.16Å; L670-M710 HydrophobicContact CD2-CB 4.29Å; L670-M710 PolarHBondContact N-O 3.46Å
671K81.7Confident81.6Confident84 Ų8454.6 Ų54.637%0.36529%0.293SS..  trans-58.3142.5175.1-64.7-176.1-177.4-168.10111.2E642 F645 E673 A674E642-K671 WeakPolarHBondContact OE1-CE 3.39Å; E642-K671 IonicContact OE1-NZ 3.6Å; E642-K671 PolarHBondContact OE1-NZ 3.49Å; F645-K671 PolarHBondContact O-N 3.14Å; F645-K671 VanDerWaalsContact O-N 3.14Å; K671-E673 VanDerWaalsContact C-N 3.26Å; K671-E673 PolarHBondContact O-N 3.23Å; K671-A674 HydrophobicContact CB-CB 4.45Å; K671-A674 WeakPolarHBondContact O-CB 3.41Å; K671-A674 PolarHBondContact O-N 3.01Å; K671-A674 VanDerWaalsContact O-N 3.11Å
672E75.9Confident81.1Confident130 Ų13049.2 Ų49.261%0.60726%0.258SS*.THydrogen-bonded Turntrans-65-34.7-176.9-72.5-173.1176.600112.2A674 P709E672-A674 VanDerWaalsContact C-N 3.29Å; E672-A674 PolarHBondContact O-N 2.93Å; E672-P709 HydrophobicContact CG-CB 4.04Å; E672-P709 HydrophobicContact CG-CG 4.41Å
673E76.8Confident80.3Confident151 Ų15148.2 Ų48.271%0.70625%0.254SS*.THydrogen-bonded Turntrans-83.68.4176.470.5-81.3-169.200114.1K671 S675K671-E673 VanDerWaalsContact C-N 3.26Å; K671-E673 PolarHBondContact O-N 3.23Å; E673-S675 PolarHBondContact O-N 2.96Å
674A73.9Confident79.2Confident12 Ų1250.4 Ų50.410%0.09926%0.262CS..  trans-60.5136.5-179.900000112.1L670 K671 E672 M678L670-A674 HydrophobicContact CD1-CB 3.79Å; L670-A674 HydrophobicContact CD2-CB 4.09Å; L670-A674 HydrophobicContact CG-CB 3.74Å; K671-A674 HydrophobicContact CB-CB 4.45Å; K671-A674 WeakPolarHBondContact O-CB 3.41Å; K671-A674 PolarHBondContact O-N 3.01Å; K671-A674 VanDerWaalsContact O-N 3.11Å; E672-A674 VanDerWaalsContact C-N 3.29Å; E672-A674 PolarHBondContact O-N 2.93Å; A674-M678 HydrophobicContact CB-CB 4.28Å
675S74.2Confident78.5Confident51 Ų5148.4 Ų48.436%0.35725%0.252SS..  trans-59.7155.7173.763.40000111.8E673 D677 M678 Q679E673-S675 PolarHBondContact O-N 2.96Å; S675-D677 PolarHBondContact O-N 3.27Å; S675-M678 PolarHBondContact O-N 3.49Å; S675-M678 VanDerWaalsContact O-N 3.17Å; S675-M678 WeakPolarHBondContact OG-CB 3.49Å; S675-M678 VanDerWaalsContact OG-CE 3.31Å; S675-M678 WeakPolarHBondContact OG-CE 3.12Å; S675-M678 PolarHBondContact OG-N 2.61Å; S675-Q679 PolarHBondContact O-N 2.78Å
676A71.6Confident77.7Confident67 Ų6748.4 Ų48.455%0.55425%0.252SS*.Hα-helixtrans-54.5-36.6174.700000112.9Q679 N680A676-Q679 PolarHBondContact O-N 3.26Å; A676-N680 PolarHBondContact O-N 2.64Å; A676-N680 PolarHBondContact O-ND2 3.41Å
677D67.4Low77Confident112 Ų11248.4 Ų48.460%0.59925%0.252SS*.Hα-helixtrans-65.8-47.3178.2-62.9-35.5000112.2S675 Q679 N680 D681S675-D677 PolarHBondContact O-N 3.27Å; D677-Q679 VanDerWaalsContact C-N 3.29Å; D677-Q679 PolarHBondContact O-N 3.05Å; D677-N680 WeakPolarHBondContact O-CB 3.44Å; D677-N680 PolarHBondContact O-N 2.74Å; D677-D681 PolarHBondContact O-N 2.9Å
678M68.6Low76.2Confident73 Ų7349.4 Ų49.436%0.3626%0.257SS..Hα-helixtrans-60.2-37.4173.1-81.2-171.8-85.700112.7F645 A674 S675 D681 F682F645-M678 HydrophobicContact CD1-CB 4.43Å; A674-M678 HydrophobicContact CB-CB 4.28Å; S675-M678 PolarHBondContact O-N 3.49Å; S675-M678 VanDerWaalsContact O-N 3.17Å; S675-M678 WeakPolarHBondContact OG-CB 3.49Å; S675-M678 VanDerWaalsContact OG-CE 3.31Å; S675-M678 WeakPolarHBondContact OG-CE 3.12Å; S675-M678 PolarHBondContact OG-N 2.61Å; M678-D681 PolarHBondContact O-N 2.97Å; M678-F682 VanDerWaalsContact O-CB 3.28Å; M678-F682 WeakPolarHBondContact O-CB 3.27Å; M678-F682 PolarHBondContact O-N 3.43Å
679Q73.4Confident75.9Confident52 Ų5249.8 Ų49.824%0.24326%0.259CS..Hα-helixtrans-65.9-41176-171.9175-6.100111.5L670 S675 A676 D677 F682 Q683 M710L670-Q679 HydrophobicContact CD2-CB 4Å; L670-Q679 HydrophobicContact CD2-CG 3.96Å; S675-Q679 PolarHBondContact O-N 2.78Å; A676-Q679 PolarHBondContact O-N 3.26Å; D677-Q679 VanDerWaalsContact C-N 3.29Å; D677-Q679 PolarHBondContact O-N 3.05Å; Q679-F682 PolarHBondContact O-N 3Å; Q679-Q683 WeakPolarHBondContact O-CG 3.48Å; Q679-Q683 PolarHBondContact O-N 3.47Å; Q679-M710 HydrophobicContact CG-SD 3.78Å
680N71.9Confident75.8Confident46 Ų4649.1 Ų49.125%0.24626%0.257CS..Hα-helixtrans-65.3-42.1175.3-69.6-28.5000111.8A676 D677 Q683 R684A676-N680 PolarHBondContact O-N 2.64Å; A676-N680 PolarHBondContact O-ND2 3.41Å; D677-N680 WeakPolarHBondContact O-CB 3.44Å; D677-N680 PolarHBondContact O-N 2.74Å; N680-Q683 PolarHBondContact O-N 2.84Å; N680-R684 WeakPolarHBondContact O-CB 3.36Å; N680-R684 VanDerWaalsContact O-CG 3.28Å; N680-R684 WeakPolarHBondContact O-CG 3.37Å; N680-R684 PolarHBondContact O-N 2.81Å
681D69.8Low75.6Confident67 Ų6753.2 Ų53.236%0.35828%0.276SS..Hα-helixtrans-62.1-43.2174.5-75.9-24000111.9F645 D677 M678 Q683 R684 E685F645-D681 HydrophobicContact CE1-CB 3.65Å; F645-D681 HydrophobicContact CZ-CB 3.88Å; D677-D681 PolarHBondContact O-N 2.9Å; M678-D681 PolarHBondContact O-N 2.97Å; D681-Q683 PolarHBondContact O-N 3.31Å; D681-R684 PolarHBondContact O-N 2.75Å; D681-R684 IonicContact OD1-CZ 3.66Å; D681-R684 IonicContact OD1-NE 3.15Å; D681-R684 PolarHBondContact OD1-NE 3.05Å; D681-R684 IonicContact OD1-NH2 3.83Å; D681-R684 PolarHBondContact OD1-NH2 2.94Å; D681-E685 PolarHBondContact O-N 3.29Å
682F76.9Confident75.8Confident0 Ų050 Ų500%026%0.262CS..Hα-helixtrans-63.3-40.4177.4-165.8-100.7000112.5F645 K668 L670 M678 Q679 A686 M710 L712F645-F682 HydrophobicContact CB-CD2 3.81Å; F645-F682 HydrophobicContact CB-CE2 4.16Å; F645-F682 HydrophobicContact CD1-CB 4.42Å; F645-F682 HydrophobicContact CD1-CD2 4.3Å; F645-F682 HydrophobicContact CD2-CD2 4.19Å; F645-F682 AromaticContact CG-CD2 3.85Å; F645-F682 HydrophobicContact CG-CD2 3.85Å; K668-F682 HydrophobicContact CD-CE2 4.12Å; K668-F682 HydrophobicContact CG-CE2 3.99Å; K668-F682 HydrophobicContact CG-CZ 4.41Å; L670-F682 HydrophobicContact CB-CD1 4.15Å; L670-F682 HydrophobicContact CB-CD2 4.39Å; L670-F682 HydrophobicContact CB-CE1 4.13Å; L670-F682 HydrophobicContact CB-CE2 4.35Å; L670-F682 HydrophobicContact CB-CG 4.28Å; L670-F682 HydrophobicContact CB-CZ 4.22Å; L670-F682 HydrophobicContact CD1-CB 4.09Å; L670-F682 HydrophobicContact CD1-CD2 4.11Å; L670-F682 HydrophobicContact CD1-CG 4.07Å; L670-F682 HydrophobicContact CD2-CB 4.34Å; L670-F682 HydrophobicContact CD2-CD1 4.37Å; L670-F682 HydrophobicContact CD2-CG 4.39Å; L670-F682 HydrophobicContact CG-CG 4.49Å; M678-F682 VanDerWaalsContact O-CB 3.28Å; M678-F682 WeakPolarHBondContact O-CB 3.27Å; M678-F682 PolarHBondContact O-N 3.43Å; Q679-F682 PolarHBondContact O-N 3Å; F682-A686 PolarHBondContact O-N 2.87Å; F682-M710 HydrophobicContact CD1-CB 4.03Å; F682-M710 HydrophobicContact CD1-CE 4.33Å; F682-M710 HydrophobicContact CE1-CB 3.85Å; F682-L712 HydrophobicContact CE1-CD1 4.01Å; F682-L712 HydrophobicContact CE1-CD2 4.19Å; F682-L712 HydrophobicContact CE1-CG 3.67Å; F682-L712 HydrophobicContact CE2-CD1 4.14Å; F682-L712 HydrophobicContact CE2-CG 4.43Å; F682-L712 HydrophobicContact CZ-CB 4.46Å; F682-L712 HydrophobicContact CZ-CD1 3.8Å; F682-L712 HydrophobicContact CZ-CG 3.6Å
683Q75.9Confident76.5Confident63 Ų6349.4 Ų49.429%0.29426%0.263SS..Hα-helixtrans-67.3-39.2174.2-77.3179.6-8.100112.6Q679 N680 D681 A686 A687 M710Q679-Q683 WeakPolarHBondContact O-CG 3.48Å; Q679-Q683 PolarHBondContact O-N 3.47Å; N680-Q683 PolarHBondContact O-N 2.84Å; D681-Q683 PolarHBondContact O-N 3.31Å; Q683-A686 WeakPolarHBondContact O-CB 3.45Å; Q683-A686 PolarHBondContact O-N 3.22Å; Q683-A687 WeakPolarHBondContact O-CB 3.45Å; Q683-A687 PolarHBondContact O-N 2.84Å; Q683-M710 HydrophobicContact CG-CE 3.44Å; Q683-M710 VanDerWaalsContact CG-CE 3.44Å; Q683-M710 HydrophobicContact CG-SD 4Å
684R72.3Confident77.3Confident54 Ų5444.1 Ų44.120%0.20424%0.238CC..Hα-helixtrans-64.7-40.9175.6-77.1-172.9-77.8-108.84.7112Y613 N680 D681 A687 L688Y613-R684 HydrophobicContact CD1-CB 3.99Å; Y613-R684 WeakPolarHBondContact O-CD 3.03Å; N680-R684 WeakPolarHBondContact O-CB 3.36Å; N680-R684 VanDerWaalsContact O-CG 3.28Å; N680-R684 WeakPolarHBondContact O-CG 3.37Å; N680-R684 PolarHBondContact O-N 2.81Å; D681-R684 PolarHBondContact O-N 2.75Å; D681-R684 IonicContact OD1-CZ 3.66Å; D681-R684 IonicContact OD1-NE 3.15Å; D681-R684 PolarHBondContact OD1-NE 3.05Å; D681-R684 IonicContact OD1-NH2 3.83Å; D681-R684 PolarHBondContact OD1-NH2 2.94Å; R684-A687 PolarHBondContact O-N 3.15Å; R684-L688 WeakPolarHBondContact O-CG 2.97Å; R684-L688 PolarHBondContact O-N 3.12Å; R684-L688 VanDerWaalsContact O-N 3.13Å
685E76.9Confident78.3Confident11 Ų1147.6 Ų47.65%0.05126%0.26CS..Hα-helixtrans-59.4-48.7173.2-166.8-168.7130.300110.6F645 K668 D681 A687 L688 M689F645-E685 VanDerWaalsContact CE2-OE2 3.27Å; F645-E685 WeakPolarHBondContact CE2-OE2 3.5Å; K668-E685 IonicContact NZ-OE1 2.77Å; K668-E685 PolarHBondContact NZ-OE1 3.19Å; K668-E685 IonicContact NZ-OE2 2.79Å; K668-E685 PolarHBondContact NZ-OE2 2.64Å; D681-E685 PolarHBondContact O-N 3.29Å; E685-A687 VanDerWaalsContact C-N 3.34Å; E685-A687 PolarHBondContact O-N 2.75Å; E685-L688 PolarHBondContact O-N 2.88Å; E685-M689 WeakPolarHBondContact O-CG 3.49Å; E685-M689 PolarHBondContact O-N 3.45Å
686A79.5Confident79.4Confident1 Ų146 Ų461%0.00825%0.247CC..Hα-helixtrans-57.2-45.9176.900000112.5L624 F682 Q683 L688 M689 A690 L712L624-A686 HydrophobicContact CD1-CB 4.32Å; L624-A686 HydrophobicContact CD2-CB 3.91Å; F682-A686 PolarHBondContact O-N 2.87Å; Q683-A686 WeakPolarHBondContact O-CB 3.45Å; Q683-A686 PolarHBondContact O-N 3.22Å; A686-L688 VanDerWaalsContact C-N 3.34Å; A686-L688 PolarHBondContact O-N 3.19Å; A686-M689 PolarHBondContact O-N 3.47Å; A686-A690 WeakPolarHBondContact O-CB 3.35Å; A686-A690 PolarHBondContact O-N 3.46Å; A686-L712 HydrophobicContact CB-CD1 3.99Å; A686-L712 HydrophobicContact CB-CD2 3.39Å; A686-L712 HydrophobicContact CB-CG 4.34Å
687A77.1Confident80.4Confident7 Ų743.1 Ų43.16%0.05822%0.222CC..Hα-helixtrans-62.4-39.4-179.100000112.4V616 L624 Q683 R684 E685V616-A687 HydrophobicContact CG1-CB 4Å; L624-A687 HydrophobicContact CD1-CB 4.21Å; Q683-A687 WeakPolarHBondContact O-CB 3.45Å; Q683-A687 PolarHBondContact O-N 2.84Å; R684-A687 PolarHBondContact O-N 3.15Å; E685-A687 VanDerWaalsContact C-N 3.34Å; E685-A687 PolarHBondContact O-N 2.75Å
688L76.1Confident81.6Confident22 Ų2237.8 Ų37.812%0.11519%0.194CC..Hα-helixtrans-71.2-44.9176.2-69.1178.6000111.8Y613 V616 R684 E685 A686 A690 E691 F781Y613-L688 HydrophobicContact CD1-CD1 3.41Å; Y613-L688 VanDerWaalsContact CD1-CD1 3.41Å; Y613-L688 HydrophobicContact CD1-CG 4.49Å; Y613-L688 HydrophobicContact CE1-CD1 3.26Å; Y613-L688 HydrophobicContact CE1-CG 4.45Å; Y613-L688 HydrophobicContact CG-CD1 4.36Å; V616-L688 HydrophobicContact CG2-CD2 4.03Å; R684-L688 WeakPolarHBondContact O-CG 2.97Å; R684-L688 PolarHBondContact O-N 3.12Å; R684-L688 VanDerWaalsContact O-N 3.13Å; E685-L688 PolarHBondContact O-N 2.88Å; A686-L688 VanDerWaalsContact C-N 3.34Å; A686-L688 PolarHBondContact O-N 3.19Å; L688-A690 PolarHBondContact O-N 3.05Å; L688-E691 WeakPolarHBondContact O-CB 3.33Å; L688-E691 PolarHBondContact O-N 3.19Å; L688-F781 HydrophobicContact CD1-CE2 4.05Å
689M83.1Confident82.7Confident9 Ų939.1 Ų39.14%0.04420%0.195CC..Hα-helixtrans-63.1-30.7179.4-69.2-57.2-64.200112.5E685 A686 E691 F692 V698 L700 F714 D803E685-M689 WeakPolarHBondContact O-CG 3.49Å; E685-M689 PolarHBondContact O-N 3.45Å; A686-M689 PolarHBondContact O-N 3.47Å; M689-E691 PolarHBondContact O-N 3.48Å; M689-F692 PolarHBondContact O-N 2.91Å; M689-F692 HydrophobicContact SD-CD2 3.82Å; M689-F692 HydrophobicContact SD-CE2 4.1Å; M689-V698 WeakPolarHBondContact CE-O 3.23Å; M689-L700 HydrophobicContact CB-CB 4.2Å; M689-L700 HydrophobicContact CB-CD2 4.18Å; M689-F714 HydrophobicContact CB-CE1 4.29Å; M689-F714 HydrophobicContact CE-CE1 3.89Å; M689-F714 HydrophobicContact CG-CE1 4.2Å; M689-D803 HydrophobicContact SD-CB 4.41Å
690A82.9Confident83.5Confident10 Ų1037.1 Ų37.18%0.08319%0.186CC..THydrogen-bonded Turntrans-65.4-20.3173.600000113.4K623 L624 L627 A686 L688 L700K623-A690 HydrophobicContact CD-CB 4.21Å; K623-A690 WeakPolarHBondContact CE-O 3.42Å; K623-A690 HydrophobicContact CG-CB 4.5Å; K623-A690 PolarHBondContact NZ-O 2.8Å; L624-A690 HydrophobicContact CD2-CB 4.07Å; L627-A690 HydrophobicContact CD1-CB 3.87Å; A686-A690 WeakPolarHBondContact O-CB 3.35Å; A686-A690 PolarHBondContact O-N 3.46Å; L688-A690 PolarHBondContact O-N 3.05Å; A690-L700 HydrophobicContact CB-CD2 4.12Å
691E81.7Confident84.5Confident95 Ų9535.9 Ų35.944%0.44418%0.179SC..THydrogen-bonded Turntrans-86.9-12.9177.1-62-54.1150.200113.9K623 L688 M689K623-E691 VanDerWaalsContact CD-OE1 3.3Å; K623-E691 WeakPolarHBondContact CD-OE1 3.28Å; K623-E691 IonicContact NZ-OE1 2.76Å; K623-E691 IonicContact NZ-OE2 3.83Å; K623-E691 PolarHBondContact NZ-OE2 2.92Å; L688-E691 WeakPolarHBondContact O-CB 3.33Å; L688-E691 PolarHBondContact O-N 3.19Å; M689-E691 PolarHBondContact O-N 3.48Å
692F86.6Confident85.5Confident18 Ų1832.7 Ų32.78%0.07916%0.162CC..  trans-92.7127.9-178.7-56.3-35.1000111.7M689 I697 Y775 L776 F781M689-F692 PolarHBondContact O-N 2.91Å; M689-F692 HydrophobicContact SD-CD2 3.82Å; M689-F692 HydrophobicContact SD-CE2 4.1Å; F692-I697 HydrophobicContact CB-CG2 4.11Å; F692-I697 HydrophobicContact CD2-CG2 4.5Å; F692-Y775 HydrophobicContact CB-CE1 4.33Å; F692-Y775 HydrophobicContact CD1-CE1 4.08Å; F692-L776 HydrophobicContact CD1-CD2 4.08Å; F692-L776 HydrophobicContact CD2-CD2 4.21Å; F692-L776 HydrophobicContact CE1-CD2 3.86Å; F692-L776 HydrophobicContact CE2-CD2 4Å; F692-L776 HydrophobicContact CG-CD2 4.26Å; F692-L776 HydrophobicContact CZ-CD2 3.83Å; F692-F781 HydrophobicContact CE1-CG 4.5Å; F692-F781 HydrophobicContact CE2-CD2 4.29Å; F692-F781 HydrophobicContact CE2-CE1 4.5Å; F692-F781 HydrophobicContact CE2-CE2 4.19Å; F692-F781 HydrophobicContact CE2-CG 4.48Å; F692-F781 HydrophobicContact CE2-CZ 4.29Å; F692-F781 HydrophobicContact CZ-CB 4.2Å; F692-F781 HydrophobicContact CZ-CD1 4.23Å; F692-F781 AromaticContact CZ-CD2 3.58Å; F692-F781 HydrophobicContact CZ-CD2 3.58Å; F692-F781 AromaticContact CZ-CE2 3.91Å; F692-F781 HydrophobicContact CZ-CE2 3.91Å; F692-F781 AromaticContact CZ-CG 3.73Å; F692-F781 HydrophobicContact CZ-CG 3.73Å; F692-F781 HydrophobicContact CZ-CZ 4.36Å
693D89.5Confident86.2Confident116 Ų11632.7 Ų32.762%0.6216%0.162SC*.  trans-14498.4175.2-172.421.1000108.4Y775D693-Y775 PolarHBondContact N-OH 3.11Å; D693-Y775 WeakPolarHBondContact O-CE2 3.48Å; D693-Y775 PolarHBondContact O-OH 3.06Å
694H94.6Very high86.8Confident40 Ų4029.7 Ų29.719%0.18515%0.148CC..  trans-155.9141.2-178.4-172.9-94000109.6N696 I697 Y775H694-N696 PolarHBondContact ND1-N 3.35Å; H694-N696 PolarHBondContact O-N 2.8Å; H694-N696 VanDerWaalsContact O-N 3.1Å; H694-I697 HydrophobicContact CB-CB 4.22Å; H694-I697 HydrophobicContact CB-CD1 3.84Å; H694-I697 HydrophobicContact CB-CG1 4.01Å; H694-I697 PolarHBondContact O-N 3.14Å; H694-I697 VanDerWaalsContact O-N 3.1Å; H694-Y775 HydrophobicContact CB-CD1 3.93Å; H694-Y775 HydrophobicContact CB-CD2 3.83Å; H694-Y775 HydrophobicContact CB-CE1 4.05Å; H694-Y775 HydrophobicContact CB-CE2 3.9Å; H694-Y775 HydrophobicContact CB-CG 3.81Å; H694-Y775 AromaticContact CD2-CD2 3.41Å; H694-Y775 VanDerWaalsContact CD2-CD2 3.41Å; H694-Y775 WeakPolarHBondContact CD2-CD2 3.36Å; H694-Y775 AromaticContact CD2-CG 3.65Å; H694-Y775 AromaticContact CG-CD2 3.84Å; H694-Y775 AromaticContact CG-CG 3.77Å
695P94.5Very high87.1Confident85 Ų8528.7 Ų28.755%0.55215%0.152SC*.THydrogen-bonded Turntrans-58.8-26.3-17821.7-35.2000114.4K800P695-K800 WeakPolarHBondContact O-CD 3.17Å; P695-K800 WeakPolarHBondContact O-CE 3.31Å; P695-K800 WeakPolarHBondContact O-CG 3.46Å; P695-K800 PolarHBondContact O-NZ 2.86Å
696N96.4Very high87Confident17 Ų1732.8 Ų32.89%0.09118%0.177CC..THydrogen-bonded Turntrans-105.821.9179.4-55.3106.8000114.3H694 Q768 V799 K800 I801H694-N696 PolarHBondContact ND1-N 3.35Å; H694-N696 PolarHBondContact O-N 2.8Å; H694-N696 VanDerWaalsContact O-N 3.1Å; N696-Q768 WeakPolarHBondContact CB-O 3.48Å; N696-Q768 VanDerWaalsContact CG-O 3.26Å; N696-Q768 WeakPolarHBondContact ND2-CB 3.4Å; N696-Q768 PolarHBondContact ND2-OE1 3.27Å; N696-V799 PolarHBondContact ND2-O 2.89Å; N696-K800 WeakPolarHBondContact O-CA 3.08Å; N696-I801 PolarHBondContact O-N 3.29Å
697I93.4Very high86.5Confident7 Ų735.1 Ų35.14%0.03620%0.201CC..BIsolated β-bridgetrans-127134.7171.5-60.6174.7000107.7F692 H694 R699 Y775 L776F692-I697 HydrophobicContact CB-CG2 4.11Å; F692-I697 HydrophobicContact CD2-CG2 4.5Å; H694-I697 HydrophobicContact CB-CB 4.22Å; H694-I697 HydrophobicContact CB-CD1 3.84Å; H694-I697 HydrophobicContact CB-CG1 4.01Å; H694-I697 PolarHBondContact O-N 3.14Å; H694-I697 VanDerWaalsContact O-N 3.1Å; I697-R699 PolarHBondContact O-N 3.49Å; I697-Y775 HydrophobicContact CD1-CD1 3.25Å; I697-Y775 HydrophobicContact CD1-CE1 3.73Å; I697-Y775 HydrophobicContact CD1-CG 4.12Å; I697-L776 HydrophobicContact CD1-CD1 4.27Å; I697-L776 HydrophobicContact CD1-CD2 3.62Å; I697-L776 HydrophobicContact CD1-CG 3.64Å
698V92.9Very high86.7Confident1 Ų140.8 Ų40.81%0.00622%0.224CC..PPolyproline II helixtrans-63.2119.7-179.9174.60000109.7M689 F714 E715 M717 L792 K800 I801 A802 F804M689-V698 WeakPolarHBondContact CE-O 3.23Å; V698-F714 HydrophobicContact CG1-CB 3.89Å; V698-F714 HydrophobicContact CG1-CD1 3.95Å; V698-F714 HydrophobicContact CG1-CG 4.25Å; V698-E715 WeakPolarHBondContact CA-OE1 3.32Å; V698-E715 HydrophobicContact CG1-CG 3.94Å; V698-M717 HydrophobicContact CG2-CG 4.41Å; V698-L792 HydrophobicContact CG2-CD1 4.37Å; V698-K800 HydrophobicContact CG2-CB 3.65Å; V698-I801 PolarHBondContact N-O 3.25Å; V698-A802 HydrophobicContact CB-CB 4.12Å; V698-A802 HydrophobicContact CG2-CB 3.56Å; V698-F804 HydrophobicContact CG1-CE2 4.43Å; V698-F804 HydrophobicContact CG1-CZ 4.19Å
699R91.3Very high87Confident101 Ų10140.5 Ų40.538%0.38122%0.224SC..PPolyproline II helixtrans-80.6133.5-175.7-165168.769.4118.1-3.1111.5I697 L701 F714 E715I697-R699 PolarHBondContact O-N 3.49Å; R699-L701 HydrophobicContact CB-CD2 4.34Å; R699-L701 HydrophobicContact CG-CD2 4.15Å; R699-L701 VanDerWaalsContact NE-CD2 3.32Å; R699-F714 WeakPolarHBondContact O-CA 3.36Å; R699-E715 HydrophobicContact CB-CG 4.49Å; R699-E715 WeakPolarHBondContact CB-OE1 3.49Å; R699-E715 PolarHBondContact N-OE1 3.03Å; R699-E715 PolarHBondContact O-N 3.35Å; R699-E715 VanDerWaalsContact O-N 3.1Å
700L91.3Very high87.1Confident9 Ų940.4 Ų40.45%0.04722%0.223CC..EExtended strand (participates in β ladder)trans-79.3117.6166.8-177.466.8000108.9L627 M689 A690 G702 V703 L712 F714L627-L700 HydrophobicContact CD1-CD2 4.17Å; L627-L700 HydrophobicContact CD1-CG 4.49Å; M689-L700 HydrophobicContact CB-CB 4.2Å; M689-L700 HydrophobicContact CB-CD2 4.18Å; A690-L700 HydrophobicContact CB-CD2 4.12Å; L700-G702 WeakPolarHBondContact CD1-O 3.43Å; L700-V703 HydrophobicContact CD1-CG2 4.28Å; L700-V703 HydrophobicContact CD2-CG2 3.84Å; L700-V703 HydrophobicContact CG-CG2 4.27Å; L700-L712 HydrophobicContact CD1-CB 3.89Å; L700-L712 HydrophobicContact CD1-CD2 4.39Å; L700-F714 HydrophobicContact CB-CD1 4.3Å; L700-F714 HydrophobicContact CB-CE1 4.15Å; L700-F714 HydrophobicContact CD1-CD1 4.06Å; L700-F714 HydrophobicContact CD1-CE1 3.78Å; L700-F714 HydrophobicContact CD1-CE2 4.43Å; L700-F714 HydrophobicContact CD1-CZ 3.99Å
701L92.4Very high87.5Confident20 Ų2040 Ų4011%0.10522%0.219CC..EExtended strand (participates in β ladder)trans-96.7-30.5-176.1-57.5-177.9000112.8L656 T663 V665 R699 L713 E715L656-L701 HydrophobicContact CD2-CB 3.83Å; L656-L701 HydrophobicContact CD2-CD1 4.15Å; L656-L701 HydrophobicContact CG-CB 4.45Å; T663-L701 HydrophobicContact CG2-CD1 3.97Å; V665-L701 HydrophobicContact CG1-CD1 4Å; R699-L701 HydrophobicContact CB-CD2 4.34Å; R699-L701 HydrophobicContact CG-CD2 4.15Å; R699-L701 VanDerWaalsContact NE-CD2 3.32Å; L701-L713 WeakPolarHBondContact CA-O 3.24Å; L701-L713 WeakPolarHBondContact CB-O 3.47Å; L701-L713 PolarHBondContact N-O 3.49Å; L701-E715 HydrophobicContact CD1-CB 4.02Å; L701-E715 HydrophobicContact CG-CB 4.38Å
702G91Very high87.9Confident0 Ų035.4 Ų35.40%020%0.198CC..EExtended strand (participates in β ladder)trans-164.7164.7-178.100000112.8L627 L700 L713L627-G702 CarbonylContact O-C 3.46Å; L627-G702 VanDerWaalsContact O-CA 3.28Å; L627-G702 WeakPolarHBondContact O-CA 3.28Å; L700-G702 WeakPolarHBondContact CD1-O 3.43Å; G702-L713 PolarHBondContact N-O 2.94Å; G702-L713 PolarHBondContact O-N 2.76Å
703V90.7Very high88.2Confident1 Ų134.6 Ų34.61%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-138.8143.3-177.2179.20000109L624 L627 E628 Y629 L700 A705 C711 L712L624-V703 HydrophobicContact CD2-CG2 4.03Å; L627-V703 HydrophobicContact CB-CB 4.47Å; L627-V703 HydrophobicContact CB-CG2 4.13Å; L627-V703 PolarHBondContact O-N 2.87Å; E628-V703 CarbonylContact C-O 3.46Å; E628-V703 VanDerWaalsContact CA-O 3.26Å; E628-V703 WeakPolarHBondContact CA-O 3.21Å; Y629-V703 PolarHBondContact N-O 3.25Å; L700-V703 HydrophobicContact CD1-CG2 4.28Å; L700-V703 HydrophobicContact CD2-CG2 3.84Å; L700-V703 HydrophobicContact CG-CG2 4.27Å; V703-A705 HydrophobicContact CG1-CB 3.91Å; V703-C711 CarbonylContact C-O 3.56Å; V703-C711 WeakPolarHBondContact CA-O 3.33Å; V703-L712 HydrophobicContact CB-CD2 4.36Å; V703-L712 HydrophobicContact CG1-CD2 3.89Å; V703-L712 HydrophobicContact CG2-CD2 3.83Å
704C88.2Confident88.3Confident0 Ų029.1 Ų29.10%017%0.165CC..EExtended strand (participates in β ladder)trans-111.982.9166-54.20000107.7Y629 R631 M710 C711Y629-C704 PolarHBondContact O-SG 2.65Å; R631-C704 HydrophobicContact CB-CB 4.24Å; R631-C704 PolarHBondContact NH2-O 2.91Å; C704-M710 WeakPolarHBondContact O-CA 3.46Å; C704-C711 HydrophobicContact CB-CB 3.83Å; C704-C711 PolarHBondContact N-O 3.47Å; C704-C711 PolarHBondContact O-N 2.85Å
705A78.8Confident88.2Confident33 Ų3328.9 Ų28.927%0.27316%0.164SC..  trans-86.9-24.9-178.200000112E628 V703 M710E628-A705 PolarHBondContact OE1-N 3.21Å; E628-A705 VanDerWaalsContact OE1-N 3.15Å; E628-A705 WeakPolarHBondContact OE2-CB 3.36Å; E628-A705 PolarHBondContact OE2-N 3.4Å; V703-A705 HydrophobicContact CG1-CB 3.91Å; A705-M710 HydrophobicContact CB-CE 4.34Å
706V75Confident88.1Confident97 Ų9727.3 Ų27.359%0.58815%0.148SC*.SBendtrans-84.2121.2-178-175.80000111E628 R631E628-V706 HydrophobicContact CG-CG2 4.41Å; E628-V706 WeakPolarHBondContact OE1-CB 3.37Å; E628-V706 PolarHBondContact OE1-N 3.03Å; R631-V706 PolarHBondContact NH1-O 3.02Å; R631-V706 PolarHBondContact NH2-O 2.8Å
707G70.2Confident87.9Confident49 Ų4927.1 Ų27.151%0.50515%0.146SC..SBendtrans75.3-177.6-177.200000113.9R631R631-G707 PolarHBondContact NH2-O 3.34Å
708K79.6Confident87.6Confident126 Ų12628.7 Ų28.755%0.54816%0.16SC..SBendtrans-111.2151.2177.5-69.2-172.8173.4-166.50111.1
709P83.3Confident87.4Confident16 Ų1632.7 Ų32.710%0.10418%0.179CC..SBendcis-78.3149.2-7.530.1-34.1000113R631 M669 L670 E672R631-P709 PolarHBondContact NE-O 2.79Å; R631-P709 PolarHBondContact NH2-O 2.89Å; M669-P709 HydrophobicContact CE-CG 4.02Å; M669-P709 HydrophobicContact CG-CB 3.94Å; M669-P709 HydrophobicContact CG-CG 4Å; M669-P709 HydrophobicContact SD-CB 4.35Å; M669-P709 HydrophobicContact SD-CG 3.81Å; L670-P709 VanDerWaalsContact O-CB 3.31Å; L670-P709 WeakPolarHBondContact O-CB 3.33Å; E672-P709 HydrophobicContact CG-CB 4.04Å; E672-P709 HydrophobicContact CG-CG 4.41Å
710M85.6Confident87.3Confident8 Ų829.2 Ų29.24%0.03918%0.175CC..  trans-70.8138.9175.6-68.7-171.663.700111.1M669 L670 Q679 F682 Q683 C704 A705M669-M710 WeakPolarHBondContact CA-O 3.44Å; L670-M710 HydrophobicContact CB-CB 4.16Å; L670-M710 HydrophobicContact CD2-CB 4.29Å; L670-M710 PolarHBondContact N-O 3.46Å; Q679-M710 HydrophobicContact CG-SD 3.78Å; F682-M710 HydrophobicContact CD1-CB 4.03Å; F682-M710 HydrophobicContact CD1-CE 4.33Å; F682-M710 HydrophobicContact CE1-CB 3.85Å; Q683-M710 HydrophobicContact CG-CE 3.44Å; Q683-M710 VanDerWaalsContact CG-CE 3.44Å; Q683-M710 HydrophobicContact CG-SD 4Å; C704-M710 WeakPolarHBondContact O-CA 3.46Å; A705-M710 HydrophobicContact CB-CE 4.34Å
711C90.1Very high87.2Confident0 Ų029.9 Ų29.90%018%0.178CC..EExtended strand (participates in β ladder)trans-131145.4-179.1-54.10000111.6V667 K668 M669 V703 C704 L713V667-C711 HydrophobicContact CG1-CB 3.89Å; K668-C711 CarbonylContact O-C 3.55Å; K668-C711 VanDerWaalsContact O-CA 3.3Å; K668-C711 WeakPolarHBondContact O-CA 3.48Å; M669-C711 VanDerWaalsContact CE-SG 3.57Å; V703-C711 CarbonylContact C-O 3.56Å; V703-C711 WeakPolarHBondContact CA-O 3.33Å; C704-C711 HydrophobicContact CB-CB 3.83Å; C704-C711 PolarHBondContact N-O 3.47Å; C704-C711 PolarHBondContact O-N 2.85Å; C711-L713 HydrophobicContact CB-CD1 4.23Å
712L90.6Very high87.2Confident0 Ų029 Ų290%017%0.173CC..EExtended strand (participates in β ladder)trans-119.3126.5168.6-55.6178.2000108.5V667 K668 F682 A686 L700 V703 F714V667-L712 CarbonylContact C-O 3.52Å; V667-L712 WeakPolarHBondContact CA-O 3.47Å; K668-L712 HydrophobicContact CB-CB 4.4Å; K668-L712 PolarHBondContact N-O 3.05Å; K668-L712 PolarHBondContact O-N 3.34Å; F682-L712 HydrophobicContact CE1-CD1 4.01Å; F682-L712 HydrophobicContact CE1-CD2 4.19Å; F682-L712 HydrophobicContact CE1-CG 3.67Å; F682-L712 HydrophobicContact CE2-CD1 4.14Å; F682-L712 HydrophobicContact CE2-CG 4.43Å; F682-L712 HydrophobicContact CZ-CB 4.46Å; F682-L712 HydrophobicContact CZ-CD1 3.8Å; F682-L712 HydrophobicContact CZ-CG 3.6Å; A686-L712 HydrophobicContact CB-CD1 3.99Å; A686-L712 HydrophobicContact CB-CD2 3.39Å; A686-L712 HydrophobicContact CB-CG 4.34Å; L700-L712 HydrophobicContact CD1-CB 3.89Å; L700-L712 HydrophobicContact CD1-CD2 4.39Å; V703-L712 HydrophobicContact CB-CD2 4.36Å; V703-L712 HydrophobicContact CG1-CD2 3.89Å; V703-L712 HydrophobicContact CG2-CD2 3.83Å; L712-F714 HydrophobicContact CB-CD2 4.25Å; L712-F714 HydrophobicContact CB-CE2 3.54Å; L712-F714 HydrophobicContact CB-CZ 3.99Å; L712-F714 HydrophobicContact CD1-CE2 4.22Å; L712-F714 HydrophobicContact CD1-CZ 4.08Å
713L93Very high87.2Confident0 Ų029 Ų290%017%0.174CC..EExtended strand (participates in β ladder)trans-103.6107.1-178.5-70.569.5000107.9Y629 I634 A653 L656 V665 V667 L701 G702 C711Y629-L713 HydrophobicContact CD1-CD2 3.7Å; Y629-L713 HydrophobicContact CE1-CD2 4.2Å; Y629-L713 HydrophobicContact CG-CD2 4.04Å; I634-L713 HydrophobicContact CD1-CD1 3.98Å; I634-L713 HydrophobicContact CD1-CD2 4.29Å; I634-L713 HydrophobicContact CD1-CG 4.42Å; I634-L713 HydrophobicContact CG1-CD2 4.38Å; A653-L713 HydrophobicContact CB-CD2 4.12Å; L656-L713 HydrophobicContact CD1-CD2 4.46Å; L656-L713 HydrophobicContact CD2-CD2 4.26Å; V665-L713 HydrophobicContact CB-CB 4.42Å; V665-L713 HydrophobicContact CG2-CD2 4.28Å; V665-L713 HydrophobicContact CG2-CG 4.36Å; V667-L713 HydrophobicContact CG2-CG 4.25Å; L701-L713 WeakPolarHBondContact CA-O 3.24Å; L701-L713 WeakPolarHBondContact CB-O 3.47Å; L701-L713 PolarHBondContact N-O 3.49Å; G702-L713 PolarHBondContact N-O 2.94Å; G702-L713 PolarHBondContact O-N 2.76Å; C711-L713 HydrophobicContact CB-CD1 4.23Å
714F92.8Very high87Confident2 Ų231.8 Ų31.81%0.00919%0.187CC..EExtended strand (participates in β ladder)trans-97.7158.3175.6-63.6-82.9000110.7V665 A666 K668 M689 V698 R699 L700 L712 F804V665-F714 CarbonylContact C-O 3.5Å; V665-F714 VanDerWaalsContact CA-O 3.28Å; V665-F714 WeakPolarHBondContact CA-O 3.5Å; V665-F714 VanDerWaalsContact CB-O 3.32Å; V665-F714 WeakPolarHBondContact CB-O 3.2Å; A666-F714 HydrophobicContact CB-CB 4.48Å; A666-F714 PolarHBondContact N-O 3.47Å; A666-F714 PolarHBondContact O-N 3.32Å; K668-F714 HydrophobicContact CB-CD2 4.44Å; K668-F714 HydrophobicContact CB-CE2 4.04Å; K668-F714 HydrophobicContact CD-CE2 4.32Å; M689-F714 HydrophobicContact CB-CE1 4.29Å; M689-F714 HydrophobicContact CE-CE1 3.89Å; M689-F714 HydrophobicContact CG-CE1 4.2Å; V698-F714 HydrophobicContact CG1-CB 3.89Å; V698-F714 HydrophobicContact CG1-CD1 3.95Å; V698-F714 HydrophobicContact CG1-CG 4.25Å; R699-F714 WeakPolarHBondContact O-CA 3.36Å; L700-F714 HydrophobicContact CB-CD1 4.3Å; L700-F714 HydrophobicContact CB-CE1 4.15Å; L700-F714 HydrophobicContact CD1-CD1 4.06Å; L700-F714 HydrophobicContact CD1-CE1 3.78Å; L700-F714 HydrophobicContact CD1-CE2 4.43Å; L700-F714 HydrophobicContact CD1-CZ 3.99Å; L712-F714 HydrophobicContact CB-CD2 4.25Å; L712-F714 HydrophobicContact CB-CE2 3.54Å; L712-F714 HydrophobicContact CB-CZ 3.99Å; L712-F714 HydrophobicContact CD1-CE2 4.22Å; L712-F714 HydrophobicContact CD1-CZ 4.08Å; F714-F804 HydrophobicContact CB-CZ 4.41Å; F714-F804 AromaticContact CD2-CE1 3.86Å; F714-F804 HydrophobicContact CD2-CE1 3.86Å; F714-F804 HydrophobicContact CD2-CZ 4.18Å; F714-F804 AromaticContact CE2-CE1 3.95Å; F714-F804 HydrophobicContact CE2-CE1 3.95Å; F714-F804 HydrophobicContact CG-CE1 4.26Å; F714-F804 HydrophobicContact CG-CZ 4.15Å; F714-F804 HydrophobicContact CZ-CE1 4.44Å
715E91.8Very high87.2Confident34 Ų3432.8 Ų32.816%0.15919%0.191CC..EExtended strand (participates in β ladder)trans-56.5141.2166.665.6-178.8137.100111.1V698 R699 L701 M717 K800V698-E715 WeakPolarHBondContact CA-OE1 3.32Å; V698-E715 HydrophobicContact CG1-CG 3.94Å; R699-E715 HydrophobicContact CB-CG 4.49Å; R699-E715 WeakPolarHBondContact CB-OE1 3.49Å; R699-E715 PolarHBondContact N-OE1 3.03Å; R699-E715 PolarHBondContact O-N 3.35Å; R699-E715 VanDerWaalsContact O-N 3.1Å; L701-E715 HydrophobicContact CD1-CB 4.02Å; L701-E715 HydrophobicContact CG-CB 4.38Å; E715-M717 HydrophobicContact CG-SD 4.38Å; E715-K800 WeakPolarHBondContact OE1-CD 3.07Å; E715-K800 WeakPolarHBondContact OE1-CE 3.5Å; E715-K800 IonicContact OE1-NZ 3.59Å; E715-K800 PolarHBondContact OE1-NZ 2.83Å; E715-K800 WeakPolarHBondContact OE2-CE 3.33Å; E715-K800 IonicContact OE2-NZ 3.51Å; E715-K800 PolarHBondContact OE2-NZ 2.93Å
716Y92.4Very high87.7Confident53 Ų5331.2 Ų31.221%0.20818%0.178CC..PPolyproline II helixtrans-88124.3-178.3179-104.5000111.2R638 I640 Q650 M664 A666 A718R638-Y716 PolarHBondContact NH2-OH 3.49Å; I640-Y716 HydrophobicContact CD1-CD2 4.17Å; I640-Y716 HydrophobicContact CD1-CE2 3.76Å; Q650-Y716 HydrophobicContact CB-CE2 4.23Å; Q650-Y716 HydrophobicContact CG-CD2 4Å; Q650-Y716 HydrophobicContact CG-CE2 3.73Å; M664-Y716 HydrophobicContact CB-CD1 4.45Å; M664-Y716 HydrophobicContact CG-CD1 3.56Å; M664-Y716 HydrophobicContact CG-CD2 4.49Å; M664-Y716 HydrophobicContact CG-CE1 4.27Å; M664-Y716 HydrophobicContact CG-CG 3.69Å; M664-Y716 WeakPolarHBondContact O-CB 3.26Å; A666-Y716 HydrophobicContact CB-CD2 4.42Å; Y716-A718 HydrophobicContact CD1-CB 4.39Å; Y716-A718 HydrophobicContact CE1-CB 3.89Å
717M91.9Very high88.4Confident12 Ų1230 Ų306%0.05916%0.163CC..  trans-102.5102.1179.8-59.5-65.5-73.100109.5V698 E715 Q719 G720 L792 V793 K800V698-M717 HydrophobicContact CG2-CG 4.41Å; E715-M717 HydrophobicContact CG-SD 4.38Å; M717-Q719 VanDerWaalsContact C-N 3.32Å; M717-Q719 PolarHBondContact O-N 2.94Å; M717-G720 PolarHBondContact O-N 3.26Å; M717-L792 HydrophobicContact CB-CB 3.59Å; M717-L792 HydrophobicContact CB-CD1 3.87Å; M717-L792 HydrophobicContact CB-CG 4.38Å; M717-L792 HydrophobicContact CE-CB 4.18Å; M717-L792 VanDerWaalsContact CE-O 3.28Å; M717-L792 WeakPolarHBondContact CE-O 2.96Å; M717-L792 HydrophobicContact CG-CB 3.59Å; M717-L792 HydrophobicContact CG-CD1 3.77Å; M717-L792 HydrophobicContact CG-CG 4.37Å; M717-V793 CarbonylContact C-O 3.15Å; M717-K800 HydrophobicContact CE-CB 3.81Å; M717-K800 HydrophobicContact CE-CD 3.9Å; M717-K800 HydrophobicContact CE-CG 3.54Å; M717-K800 HydrophobicContact SD-CD 3.9Å; M717-K800 HydrophobicContact SD-CG 4.22Å
718A87.5Confident89.1Confident40 Ų4034.3 Ų34.333%0.33116%0.164SC..THydrogen-bonded Turntrans-65.3-27.3-162.500000115.6Y716Y716-A718 HydrophobicContact CD1-CB 4.39Å; Y716-A718 HydrophobicContact CE1-CB 3.89Å
719Q88.4Confident89.4Confident86 Ų8630.7 Ų30.740%0.40215%0.147SC..THydrogen-bonded Turntrans-90.50.4-176.2-60.3-62-29.500113.4M717 F725 V793M717-Q719 VanDerWaalsContact C-N 3.32Å; M717-Q719 PolarHBondContact O-N 2.94Å; Q719-F725 HydrophobicContact CB-CD2 4.09Å; Q719-F725 HydrophobicContact CB-CE2 4.45Å; Q719-V793 HydrophobicContact CB-CB 3.81Å; Q719-V793 HydrophobicContact CB-CG1 3.86Å; Q719-V793 WeakPolarHBondContact CB-O 3.3Å; Q719-V793 HydrophobicContact CG-CG1 4.26Å; Q719-V793 PolarHBondContact N-O 2.59Å
720G88.2Confident89.3Confident28 Ų2830.1 Ų30.129%0.28914%0.144SC..EExtended strand (participates in β ladder)trans79.7-154.217800000113M717 L792 V793M717-G720 PolarHBondContact O-N 3.26Å; G720-L792 WeakPolarHBondContact O-CA 3.46Å; G720-V793 PolarHBondContact O-N 3.49Å
721D89.4Confident88.6Confident23 Ų2333.5 Ų33.512%0.12317%0.166CC..EExtended strand (participates in β ladder)trans-77.9149.9179.178.574.7000112.6N723 E724 F725 C791 L792 Y811D721-N723 VanDerWaalsContact C-N 3.3Å; D721-N723 PolarHBondContact O-N 3.35Å; D721-N723 WeakPolarHBondContact OD1-CA 3.45Å; D721-N723 VanDerWaalsContact OD1-CB 3.31Å; D721-N723 WeakPolarHBondContact OD1-CB 3.3Å; D721-N723 PolarHBondContact OD1-N 2.86Å; D721-E724 PolarHBondContact O-N 3.15Å; D721-E724 PolarHBondContact OD1-N 3.35Å; D721-F725 PolarHBondContact O-N 3.09Å; D721-F725 VanDerWaalsContact O-N 3.1Å; D721-C791 CarbonylContact C-O 3.38Å; D721-C791 WeakPolarHBondContact CA-O 3.25Å; D721-L792 HydrophobicContact CB-CD2 3.97Å; D721-Y811 VanDerWaalsContact CG-OH 3.23Å; D721-Y811 PolarHBondContact OD1-OH 3.32Å; D721-Y811 PolarHBondContact OD2-OH 2.96Å
722L93.2Very high87.1Confident0 Ų036.9 Ų36.90%019%0.186CC..Hα-helixtrans-66.7-30.8-174.4176.565.7000112.1F725 L726 V765 I769 T788 C791 V793 V799 I855L722-F725 HydrophobicContact CD1-CD1 4.16Å; L722-F725 PolarHBondContact O-N 3.23Å; L722-L726 HydrophobicContact CD1-CD1 4.25Å; L722-L726 HydrophobicContact CD1-CD2 4.35Å; L722-L726 HydrophobicContact CD1-CG 3.97Å; L722-L726 HydrophobicContact CG-CD1 3.93Å; L722-L726 HydrophobicContact CG-CG 4.15Å; L722-L726 WeakPolarHBondContact O-CB 3.5Å; L722-L726 WeakPolarHBondContact O-CD1 3.49Å; L722-L726 WeakPolarHBondContact O-CG 3.39Å; L722-L726 PolarHBondContact O-N 3.23Å; L722-V765 HydrophobicContact CD1-CG1 3.95Å; L722-V765 HydrophobicContact CD2-CG1 3.76Å; L722-I769 HydrophobicContact CD2-CD1 3.68Å; L722-T788 WeakPolarHBondContact CB-O 3.3Å; L722-T788 HydrophobicContact CD2-CG2 4.06Å; L722-T788 HydrophobicContact CG-CG2 4.43Å; L722-C791 HydrophobicContact CB-CB 3.95Å; L722-C791 HydrophobicContact CD2-CB 3.99Å; L722-C791 PolarHBondContact N-O 2.98Å; L722-V793 HydrophobicContact CB-CG2 3.86Å; L722-V793 HydrophobicContact CD1-CG2 3.62Å; L722-V793 HydrophobicContact CG-CG2 4.35Å; L722-V799 HydrophobicContact CD2-CG1 4.11Å; L722-I855 HydrophobicContact CD2-CG1 4.49Å
723N90.9Very high85.1Confident2 Ų244.4 Ų44.41%0.01122%0.222CC..Hα-helixtrans-63.5-48178.8-166.3-91.1000110.7D721 L726 R727 T788 R789 E854 G859D721-N723 VanDerWaalsContact C-N 3.3Å; D721-N723 PolarHBondContact O-N 3.35Å; D721-N723 WeakPolarHBondContact OD1-CA 3.45Å; D721-N723 VanDerWaalsContact OD1-CB 3.31Å; D721-N723 WeakPolarHBondContact OD1-CB 3.3Å; D721-N723 PolarHBondContact OD1-N 2.86Å; N723-L726 PolarHBondContact O-N 3.3Å; N723-R727 WeakPolarHBondContact O-CG 3.49Å; N723-R727 PolarHBondContact O-N 3.11Å; N723-R727 VanDerWaalsContact O-N 3.16Å; N723-R727 PolarHBondContact OD1-NE 2.94Å; N723-R727 PolarHBondContact OD1-NH2 3.17Å; N723-T788 WeakPolarHBondContact CB-OG1 3.4Å; N723-T788 PolarHBondContact ND2-OG1 3.08Å; N723-R789 HydrophobicContact CB-CB 4.38Å; N723-E854 PolarHBondContact ND2-OE1 3.06Å; N723-G859 PolarHBondContact ND2-O 2.79Å
724E87Confident82.8Confident59 Ų5948.9 Ų48.928%0.27625%0.253SS..Hα-helixtrans-65.2-41177-164.8-179.2-178.100111.6D721 L726 R727 R728D721-E724 PolarHBondContact O-N 3.15Å; D721-E724 PolarHBondContact OD1-N 3.35Å; E724-L726 PolarHBondContact O-N 2.86Å; E724-R727 PolarHBondContact O-N 3.49Å; E724-R728 WeakPolarHBondContact O-CG 3.45Å; E724-R728 PolarHBondContact O-N 3.32Å; E724-R728 IonicContact OE1-CZ 2.93Å; E724-R728 IonicContact OE1-NE 2.78Å; E724-R728 PolarHBondContact OE1-NE 2.65Å; E724-R728 IonicContact OE1-NH2 3.97Å; E724-R728 PolarHBondContact OE1-NH2 3.41Å; E724-R728 IonicContact OE2-NH2 3.09Å; E724-R728 PolarHBondContact OE2-NH2 3.22Å
725F90.9Very high80.5Confident20 Ų2050.7 Ų50.79%0.08826%0.264CS..Hα-helixtrans-57.7-46.9175.9-179.8-96.7000112.3Q719 D721 L722 R727 R728 R729 L757 V793 M797Q719-F725 HydrophobicContact CB-CD2 4.09Å; Q719-F725 HydrophobicContact CB-CE2 4.45Å; D721-F725 PolarHBondContact O-N 3.09Å; D721-F725 VanDerWaalsContact O-N 3.1Å; L722-F725 HydrophobicContact CD1-CD1 4.16Å; L722-F725 PolarHBondContact O-N 3.23Å; F725-R727 PolarHBondContact O-N 2.91Å; F725-R728 PolarHBondContact O-N 3.47Å; F725-R729 HydrophobicContact CE1-CG 4.39Å; F725-R729 HydrophobicContact CZ-CG 4.27Å; F725-R729 WeakPolarHBondContact O-CG 3.44Å; F725-R729 PolarHBondContact O-N 2.86Å; F725-L757 HydrophobicContact CE1-CD1 4.12Å; F725-L757 HydrophobicContact CE1-CD2 4.26Å; F725-V793 HydrophobicContact CB-CG2 4.13Å; F725-V793 HydrophobicContact CD1-CG2 4.27Å; F725-V793 HydrophobicContact CD2-CG1 4.27Å; F725-V793 HydrophobicContact CE2-CG1 4.3Å; F725-V793 HydrophobicContact CG-CB 4.48Å; F725-V793 HydrophobicContact CG-CG1 4.37Å; F725-V793 HydrophobicContact CG-CG2 4.14Å; F725-V793 HydrophobicContact CZ-CG1 4.43Å; F725-M797 HydrophobicContact CZ-CG 4.1Å; F725-M797 HydrophobicContact CZ-SD 4.26Å
726L90.8Very high78.5Confident1 Ų155.1 Ų55.11%0.00528%0.28CS..Hα-helixtrans-61.2-42.9177.7-71.3167.3000112L722 N723 E724 R729 S730 L757 T788 I855L722-L726 HydrophobicContact CD1-CD1 4.25Å; L722-L726 HydrophobicContact CD1-CD2 4.35Å; L722-L726 HydrophobicContact CD1-CG 3.97Å; L722-L726 HydrophobicContact CG-CD1 3.93Å; L722-L726 HydrophobicContact CG-CG 4.15Å; L722-L726 WeakPolarHBondContact O-CB 3.5Å; L722-L726 WeakPolarHBondContact O-CD1 3.49Å; L722-L726 WeakPolarHBondContact O-CG 3.39Å; L722-L726 PolarHBondContact O-N 3.23Å; N723-L726 PolarHBondContact O-N 3.3Å; E724-L726 PolarHBondContact O-N 2.86Å; L726-R729 CarbonylContact O-C 3.57Å; L726-R729 PolarHBondContact O-N 2.68Å; L726-S730 PolarHBondContact O-N 3.28Å; L726-L757 HydrophobicContact CD2-CD1 3.63Å; L726-T788 HydrophobicContact CD1-CG2 4.06Å; L726-I855 HydrophobicContact CD1-CG1 4.17Å; L726-I855 HydrophobicContact CD2-CG2 4.41Å
727R88.4Confident76Confident72 Ų7258 Ų5827%0.27230%0.303SS..Hα-helixtrans-65.4-39178.8-71.7178.3-179.2-157.63.5112.6N723 E724 F725 R729 S730 V735 H858 G859N723-R727 WeakPolarHBondContact O-CG 3.49Å; N723-R727 PolarHBondContact O-N 3.11Å; N723-R727 VanDerWaalsContact O-N 3.16Å; N723-R727 PolarHBondContact OD1-NE 2.94Å; N723-R727 PolarHBondContact OD1-NH2 3.17Å; E724-R727 PolarHBondContact O-N 3.49Å; F725-R727 PolarHBondContact O-N 2.91Å; R727-R729 PolarHBondContact O-N 3.26Å; R727-S730 WeakPolarHBondContact O-CB 3.36Å; R727-S730 PolarHBondContact O-N 3.48Å; R727-V735 HydrophobicContact CB-CG1 4.28Å; R727-V735 HydrophobicContact CG-CG1 4.05Å; R727-H858 WeakPolarHBondContact CG-O 3.28Å; R727-G859 PolarHBondContact NE-O 3.41Å; R727-G859 PolarHBondContact NH2-O 2.92Å
728R85.7Confident73.6Confident139 Ų13964.4 Ų64.453%0.52534%0.336SS..Hα-helixtrans-64.2-31.7175.8-71.5175.2-174.6-176.75.8111.9E724 F725E724-R728 WeakPolarHBondContact O-CG 3.45Å; E724-R728 PolarHBondContact O-N 3.32Å; E724-R728 IonicContact OE1-CZ 2.93Å; E724-R728 IonicContact OE1-NE 2.78Å; E724-R728 PolarHBondContact OE1-NE 2.65Å; E724-R728 IonicContact OE1-NH2 3.97Å; E724-R728 PolarHBondContact OE1-NH2 3.41Å; E724-R728 IonicContact OE2-NH2 3.09Å; E724-R728 PolarHBondContact OE2-NH2 3.22Å; F725-R728 PolarHBondContact O-N 3.47Å
729R85.3Confident71.2Confident49 Ų4966.1 Ų66.119%0.18535%0.345CS..THydrogen-bonded Turntrans-97.620.4179.4-60.2-82.5-72.8-170.73.1113.2F725 L726 R727 A755 S756 L757F725-R729 HydrophobicContact CE1-CG 4.39Å; F725-R729 HydrophobicContact CZ-CG 4.27Å; F725-R729 WeakPolarHBondContact O-CG 3.44Å; F725-R729 PolarHBondContact O-N 2.86Å; L726-R729 CarbonylContact O-C 3.57Å; L726-R729 PolarHBondContact O-N 2.68Å; R727-R729 PolarHBondContact O-N 3.26Å; R729-A755 WeakPolarHBondContact CD-O 3.44Å; R729-A755 PolarHBondContact NE-O 3.08Å; R729-A755 PolarHBondContact NH1-O 3.04Å; R729-A755 PolarHBondContact NH2-O 3.35Å; R729-S756 WeakPolarHBondContact O-CA 3.47Å; R729-L757 HydrophobicContact CB-CD1 3.95Å; R729-L757 HydrophobicContact CB-CG 3.8Å; R729-L757 HydrophobicContact CG-CG 4.32Å; R729-L757 PolarHBondContact O-N 3.43Å
730S81.9Confident68.7Low5 Ų573.3 Ų73.34%0.03537%0.369CS..  trans-79.3141.3178.2-176.50000112L726 R727 T732L726-S730 PolarHBondContact O-N 3.28Å; R727-S730 WeakPolarHBondContact O-CB 3.36Å; R727-S730 PolarHBondContact O-N 3.48Å; S730-T732 VanDerWaalsContact C-N 3.32Å; S730-T732 PolarHBondContact O-N 2.97Å; S730-T732 PolarHBondContact OG-OG1 3.39Å
731P70.6Confident66.1Low78 Ų7876.7 Ų76.751%0.50639%0.394SS..SBendtrans-70.8-18.3177.324.6-31.1000114.5
732T58.8Low63.6Low71 Ų7180.1 Ų80.144%0.43642%0.42SS..  trans-99.6132-176.849.10000113.5S730 S734S730-T732 VanDerWaalsContact C-N 3.32Å; S730-T732 PolarHBondContact O-N 2.97Å; S730-T732 PolarHBondContact OG-OG1 3.39Å; T732-S734 VanDerWaalsContact C-N 3.26Å; T732-S734 PolarHBondContact O-N 3.36Å
733Q47.6Very low60.9Low159 Ų15988 Ų8874%0.74346%0.461SS*.G310 helixtrans-66.1-20.7179.6-86.5-177.5-5.800114.3V735 R736Q733-V735 VanDerWaalsContact C-N 3.33Å; Q733-V735 PolarHBondContact O-N 3.06Å; Q733-R736 PolarHBondContact O-N 2.93Å
734S44.4Very low58.2Low94 Ų9493.5 Ų93.566%0.65750%0.5SS*.G310 helixtrans-70.4-23-175.852.30000114.1T732 T737T732-S734 VanDerWaalsContact C-N 3.26Å; T732-S734 PolarHBondContact O-N 3.36Å; S734-T737 PolarHBondContact O-OG1 2.85Å
735V45.9Very low55.7Low40 Ų4095.1 Ų95.124%0.24252%0.523CS..G310 helixtrans-88.7-16.7179.7-173.60000112.1R727 Q733 T737R727-V735 HydrophobicContact CB-CG1 4.28Å; R727-V735 HydrophobicContact CG-CG1 4.05Å; Q733-V735 VanDerWaalsContact C-N 3.33Å; Q733-V735 PolarHBondContact O-N 3.06Å; V735-T737 PolarHBondContact O-N 3.01Å
736R48.8Very low53.1Low127 Ų127105.8 Ų105.848%0.47956%0.563SS.*THydrogen-bonded Turntrans-70.3-9.8-177.2-64.7-175.6179.3176.8-0.4114.4Q733Q733-R736 PolarHBondContact O-N 2.93Å
737T39.8Very low50.2Low113 Ų113110.7 Ų110.769%0.69360%0.597SS**THydrogen-bonded Turntrans-94.55.6-166.160000116.7S734 V735S734-T737 PolarHBondContact O-OG1 2.85Å; V735-T737 PolarHBondContact O-N 3.01Å
738I41.2Very low47.7Very low146 Ų146117.4 Ų117.475%0.74963%0.629SS**  trans-115.765.7178.9-46.9177.3000110.7
739S38.1Very low45Very low77 Ų77115 Ų11554%0.53863%0.633SS.*  trans-15382.4153.3-159.70000109.3
740R35.1Very low42.7Very low236 Ų236118.5 Ų118.589%0.89167%0.665SS**  trans-11313.3173.2-121.1-179.8171137.1-0.4112.8
741A33.9Very low40.6Very low99 Ų99124.9 Ų124.982%0.81870%0.699SS**SBendtrans-97.4-3.4179.600000114.4
742S36.6Very low39.1Very low96 Ų96124.4 Ų124.467%0.67171%0.708SS**  trans-120.663.6-178.1-52.10000111.7S744S742-S744 PolarHBondContact O-N 3.15Å
743L37.5Very low38.4Very low166 Ų166129.6 Ų129.687%0.86973%0.727SS**  trans-88.874.9166.4-82.7166.7000110
744S34.3Very low38.9Very low117 Ų117124.6 Ų124.682%0.81871%0.713SS**  trans-153.554156.970.50000111.3S742S742-S744 PolarHBondContact O-N 3.15Å
745A34.7Very low40.2Very low92 Ų92123.3 Ų123.376%0.7671%0.708SS**  trans-149.383.3162.400000108.5
746R35.4Very low41.9Very low244 Ų244124.1 Ų124.192%0.92172%0.716SS**  trans-92.799.6156.2-90.3-174.1176.1176.4-1107.1
747S31.3Very low43.7Very low104 Ų104118.5 Ų118.573%0.72770%0.695SS**  trans-133.1115.7148.350.70000106.4S749S747-S749 PolarHBondContact O-N 3.3Å
748F34.9Very low46.1Very low214 Ų214116.5 Ų116.594%0.93968%0.683SS**  trans-58116.2171.1-95.4-109.3000109.4
749S29.8Very low48.4Very low88 Ų88111.7 Ų111.762%0.61566%0.662SS**  trans-137.1131.9146.2560000108S747 D751S747-S749 PolarHBondContact O-N 3.3Å; S749-D751 PolarHBondContact O-N 3.09Å; S749-D751 VanDerWaalsContact O-N 3.14Å; S749-D751 PolarHBondContact OG-OD2 3.25Å
750S37.2Very low51.1Low123 Ų123108.8 Ų108.886%0.8664%0.641SS**  trans-72.889.5175.351.60000109.3
751D37.3Very low53.8Low138 Ų13899.8 Ų99.874%0.73861%0.609SS**  trans-108.5121.4172.9-75.4-45.2000110.1S749S749-D751 PolarHBondContact O-N 3.09Å; S749-D751 VanDerWaalsContact O-N 3.14Å; S749-D751 PolarHBondContact OG-OD2 3.25Å
752G38.2Very low56.7Low68 Ų6895.7 Ų95.770%0.70157%0.573SS**  trans-55.5156.8-179.600000112.3A754G752-A754 PolarHBondContact O-N 3.48Å
753E45.4Very low59.5Low180 Ų18091.3 Ų91.384%0.84154%0.542SS*.  trans-48.2105176.7-65.8-175135.600110.4A755E753-A755 PolarHBondContact O-N 3.36Å; E753-A755 VanDerWaalsContact O-N 3.1Å
754A57.8Low62.3Low54 Ų5484.9 Ų84.945%0.44651%0.511SS..PPolyproline II helixtrans-60.8116.3178.500000108.6G752G752-A754 PolarHBondContact O-N 3.48Å
755A70.8Confident65.2Low67 Ų6779.5 Ų79.555%0.55447%0.473SS*.PPolyproline II helixtrans-52.9150.3179.700000111.8R729 E753R729-A755 WeakPolarHBondContact CD-O 3.44Å; R729-A755 PolarHBondContact NE-O 3.08Å; R729-A755 PolarHBondContact NH1-O 3.04Å; R729-A755 PolarHBondContact NH2-O 3.35Å; E753-A755 PolarHBondContact O-N 3.36Å; E753-A755 VanDerWaalsContact O-N 3.1Å
756S81.4Confident68.2Low58 Ų5875.1 Ų75.141%0.40644%0.437SS..PPolyproline II helixtrans-61.4149.2174.350.40000111.2R729 T758R729-S756 WeakPolarHBondContact O-CA 3.47Å; S756-T758 PolarHBondContact O-N 3.28Å
757L86.8Confident71.2Confident9 Ų965.8 Ų65.85%0.04740%0.403CS..PPolyproline II helixtrans-64.4134.2174.7-74.2164.3000110.8F725 L726 R729 E761 Q762 M797F725-L757 HydrophobicContact CE1-CD1 4.12Å; F725-L757 HydrophobicContact CE1-CD2 4.26Å; L726-L757 HydrophobicContact CD2-CD1 3.63Å; R729-L757 HydrophobicContact CB-CD1 3.95Å; R729-L757 HydrophobicContact CB-CG 3.8Å; R729-L757 HydrophobicContact CG-CG 4.32Å; R729-L757 PolarHBondContact O-N 3.43Å; L757-E761 WeakPolarHBondContact CA-OE2 3.18Å; L757-E761 HydrophobicContact CD2-CB 4.01Å; L757-Q762 HydrophobicContact CB-CG 4.11Å; L757-M797 HydrophobicContact CD2-SD 4.08Å
758T90.9Very high74.4Confident71 Ų7162.1 Ų62.144%0.43638%0.375SS..PPolyproline II helixtrans-83.1158.5174.863.60000111.1S756 E761 Q762S756-T758 PolarHBondContact O-N 3.28Å; T758-E761 PolarHBondContact N-OE2 2.78Å; T758-E761 WeakPolarHBondContact O-CB 3.46Å; T758-E761 PolarHBondContact O-N 2.92Å; T758-E761 VanDerWaalsContact O-N 3.09Å; T758-E761 VanDerWaalsContact OG1-CD 3.32Å; T758-E761 VanDerWaalsContact OG1-CG 3.27Å; T758-E761 WeakPolarHBondContact OG1-CG 3.43Å; T758-E761 PolarHBondContact OG1-OE2 2.75Å; T758-Q762 PolarHBondContact O-N 3.15Å
759C90Very high77.4Confident44 Ų4452 Ų5230%0.29733%0.33SS..Hα-helixtrans-56.4-43.2177.41800000113.3E761 Q762 L763C759-E761 VanDerWaalsContact C-N 3.32Å; C759-E761 PolarHBondContact O-N 2.83Å; C759-Q762 PolarHBondContact O-N 3.44Å; C759-L763 WeakPolarHBondContact O-CB 3.28Å; C759-L763 WeakPolarHBondContact O-CG 3.02Å; C759-L763 PolarHBondContact O-N 3.45Å
760P92.9Very high80.6Confident16 Ų1647.8 Ų47.810%0.10430%0.301CS..Hα-helixtrans-59.3-38.5173.7-24.834.4000113.6L763 S764 H920 L924P760-L763 PolarHBondContact O-N 2.91Å; P760-S764 WeakPolarHBondContact O-CB 3.46Å; P760-S764 PolarHBondContact O-N 3.1Å; P760-H920 PolarHBondContact O-CE1 2.91Å; P760-H920 PolarHBondContact O-ND1 2.79Å; P760-L924 HydrophobicContact CB-CD2 4.13Å
761E93.2Very high83.5Confident48 Ų4842.6 Ų42.622%0.22427%0.265CS..Hα-helixtrans-67.2-43.1176.1-69168.6136.500111.3L757 T758 C759 L763 S764 V765 M797L757-E761 WeakPolarHBondContact CA-OE2 3.18Å; L757-E761 HydrophobicContact CD2-CB 4.01Å; T758-E761 PolarHBondContact N-OE2 2.78Å; T758-E761 WeakPolarHBondContact O-CB 3.46Å; T758-E761 PolarHBondContact O-N 2.92Å; T758-E761 VanDerWaalsContact O-N 3.09Å; T758-E761 VanDerWaalsContact OG1-CD 3.32Å; T758-E761 VanDerWaalsContact OG1-CG 3.27Å; T758-E761 WeakPolarHBondContact OG1-CG 3.43Å; T758-E761 PolarHBondContact OG1-OE2 2.75Å; C759-E761 VanDerWaalsContact C-N 3.32Å; C759-E761 PolarHBondContact O-N 2.83Å; E761-L763 VanDerWaalsContact C-N 3.34Å; E761-L763 PolarHBondContact O-N 2.98Å; E761-S764 WeakPolarHBondContact O-CB 3.49Å; E761-S764 PolarHBondContact O-N 3.24Å; E761-S764 VanDerWaalsContact O-N 3.16Å; E761-V765 WeakPolarHBondContact O-CG2 3.44Å; E761-V765 PolarHBondContact O-N 3.2Å; E761-M797 HydrophobicContact CG-CE 4.08Å
762Q94.6Very high86.3Confident13 Ų1336 Ų366%0.06123%0.23CC..Hα-helixtrans-62.3-39.7175.1-71171.7-6200112.1L757 T758 C759 S766 I855 F856L757-Q762 HydrophobicContact CB-CG 4.11Å; T758-Q762 PolarHBondContact O-N 3.15Å; C759-Q762 PolarHBondContact O-N 3.44Å; Q762-S766 WeakPolarHBondContact O-CB 3.44Å; Q762-S766 PolarHBondContact O-N 3.1Å; Q762-S766 PolarHBondContact O-OG 2.79Å; Q762-I855 HydrophobicContact CB-CG2 3.82Å; Q762-I855 HydrophobicContact CG-CG2 4.05Å; Q762-I855 PolarHBondContact NE2-O 3.12Å; Q762-F856 HydrophobicContact CB-CD2 4.5Å; Q762-F856 HydrophobicContact CB-CE1 3.98Å; Q762-F856 HydrophobicContact CB-CE2 3.85Å; Q762-F856 HydrophobicContact CB-CZ 3.57Å
763L95.1Very high89.1Confident3 Ų332.8 Ų32.82%0.01620%0.197CC..Hα-helixtrans-66.3-37.8172.9-72.9172.3000111.9C759 P760 E761 S766 K767 F856 L891 L916 M919 H920C759-L763 WeakPolarHBondContact O-CB 3.28Å; C759-L763 WeakPolarHBondContact O-CG 3.02Å; C759-L763 PolarHBondContact O-N 3.45Å; P760-L763 PolarHBondContact O-N 2.91Å; E761-L763 VanDerWaalsContact C-N 3.34Å; E761-L763 PolarHBondContact O-N 2.98Å; L763-S766 PolarHBondContact O-N 2.79Å; L763-K767 VanDerWaalsContact O-CB 3.3Å; L763-K767 WeakPolarHBondContact O-CB 3.45Å; L763-K767 PolarHBondContact O-N 3.19Å; L763-F856 HydrophobicContact CD2-CZ 4Å; L763-F856 HydrophobicContact CG-CZ 4.11Å; L763-L891 HydrophobicContact CD2-CD1 4.27Å; L763-L891 HydrophobicContact CD2-CD2 4.29Å; L763-L916 HydrophobicContact CD2-CD2 4.21Å; L763-M919 HydrophobicContact CD1-CB 4.33Å; L763-M919 HydrophobicContact CD2-CB 4.3Å; L763-M919 HydrophobicContact CD2-CE 4.39Å; L763-H920 HydrophobicContact CB-CB 4.12Å
764S95.9Very high91.5Very high32 Ų3224.7 Ų24.722%0.22416%0.161CC..Hα-helixtrans-62-48.5174.7-176.20000111.5P760 E761 S766 K767 Q768P760-S764 WeakPolarHBondContact O-CB 3.46Å; P760-S764 PolarHBondContact O-N 3.1Å; E761-S764 WeakPolarHBondContact O-CB 3.49Å; E761-S764 PolarHBondContact O-N 3.24Å; E761-S764 VanDerWaalsContact O-N 3.16Å; S764-S766 VanDerWaalsContact C-N 3.33Å; S764-S766 PolarHBondContact O-N 3.18Å; S764-K767 PolarHBondContact O-N 3.25Å; S764-Q768 WeakPolarHBondContact O-CG 3.37Å; S764-Q768 PolarHBondContact O-N 3.38Å
765V96.5Very high93.2Very high4 Ų423.4 Ų23.42%0.02414%0.144CC..Hα-helixtrans-57.3-47.5174.9167.40000110.8L722 E761 K767 Q768 I769 V799 I855L722-V765 HydrophobicContact CD1-CG1 3.95Å; L722-V765 HydrophobicContact CD2-CG1 3.76Å; E761-V765 WeakPolarHBondContact O-CG2 3.44Å; E761-V765 PolarHBondContact O-N 3.2Å; V765-K767 PolarHBondContact O-N 2.87Å; V765-Q768 PolarHBondContact O-N 2.81Å; V765-I769 HydrophobicContact CG1-CD1 4.21Å; V765-I769 WeakPolarHBondContact O-CG1 3.47Å; V765-I769 PolarHBondContact O-N 2.94Å; V765-V799 HydrophobicContact CB-CG2 4.36Å; V765-V799 HydrophobicContact CG1-CG2 4.04Å; V765-V799 HydrophobicContact CG2-CG2 3.95Å; V765-I855 HydrophobicContact CG1-CD1 3.88Å; V765-I855 HydrophobicContact CG1-CG1 4.21Å
766S97.6Very high94.2Very high0 Ų020.4 Ų20.40%012%0.119CC..Hα-helixtrans-57.3-50.5178.1-59.90000111.2Q762 L763 S764 Q768 I769 A770 Y848 L852Q762-S766 WeakPolarHBondContact O-CB 3.44Å; Q762-S766 PolarHBondContact O-N 3.1Å; Q762-S766 PolarHBondContact O-OG 2.79Å; L763-S766 PolarHBondContact O-N 2.79Å; S764-S766 VanDerWaalsContact C-N 3.33Å; S764-S766 PolarHBondContact O-N 3.18Å; S766-Q768 PolarHBondContact O-N 2.97Å; S766-I769 PolarHBondContact O-N 3.31Å; S766-A770 PolarHBondContact O-N 2.79Å; S766-Y848 VanDerWaalsContact C-OH 3.3Å; S766-Y848 PolarHBondContact O-OH 3.28Å; S766-L852 VanDerWaalsContact CB-CD2 3.49Å; S766-L852 WeakPolarHBondContact OG-CD2 3.5Å
767K97.2Very high94.5Very high48 Ų4819 Ų1921%0.20911%0.109CC..Hα-helixtrans-57.4-45.5178.4-176.5-169.872.1177.60112L763 S764 V765 I769 A770 A771 H913 L916 E917L763-K767 VanDerWaalsContact O-CB 3.3Å; L763-K767 WeakPolarHBondContact O-CB 3.45Å; L763-K767 PolarHBondContact O-N 3.19Å; S764-K767 PolarHBondContact O-N 3.25Å; V765-K767 PolarHBondContact O-N 2.87Å; K767-I769 PolarHBondContact O-N 3.46Å; K767-A770 WeakPolarHBondContact O-CB 3.27Å; K767-A770 PolarHBondContact O-N 3.46Å; K767-A771 PolarHBondContact O-N 2.75Å; K767-H913 PolarHBondContact O-CD2 3.44Å; K767-L916 HydrophobicContact CB-CB 4.19Å; K767-E917 HydrophobicContact CD-CB 4.05Å; K767-E917 HydrophobicContact CD-CG 4.38Å; K767-E917 HydrophobicContact CG-CB 4.49Å
768Q98.1Very high94.6Very high27 Ų2724.9 Ų24.913%0.12614%0.137CC..Hα-helixtrans-59.2-43.7179.3-76.4-174.974.300112.5N696 S764 V765 S766 A771 G772 M797 V799N696-Q768 WeakPolarHBondContact CB-O 3.48Å; N696-Q768 VanDerWaalsContact CG-O 3.26Å; N696-Q768 WeakPolarHBondContact ND2-CB 3.4Å; N696-Q768 PolarHBondContact ND2-OE1 3.27Å; S764-Q768 WeakPolarHBondContact O-CG 3.37Å; S764-Q768 PolarHBondContact O-N 3.38Å; V765-Q768 PolarHBondContact O-N 2.81Å; S766-Q768 PolarHBondContact O-N 2.97Å; Q768-A771 WeakPolarHBondContact O-CB 3.17Å; Q768-A771 PolarHBondContact O-N 3.2Å; Q768-G772 PolarHBondContact O-N 2.89Å; Q768-G772 VanDerWaalsContact O-N 3.17Å; Q768-M797 PolarHBondContact NE2-O 3.49Å; Q768-V799 HydrophobicContact CB-CB 4.29Å
769I97.8Very high94.3Very high0 Ų026.6 Ų26.60%014%0.135CC..Hα-helixtrans-67.3-40.6176-59.2168000110.5L722 V765 S766 K767 A771 G772 M773 L786 C791 V799 I801 Y848 V851 I855L722-I769 HydrophobicContact CD2-CD1 3.68Å; V765-I769 HydrophobicContact CG1-CD1 4.21Å; V765-I769 WeakPolarHBondContact O-CG1 3.47Å; V765-I769 PolarHBondContact O-N 2.94Å; S766-I769 PolarHBondContact O-N 3.31Å; K767-I769 PolarHBondContact O-N 3.46Å; I769-A771 VanDerWaalsContact C-N 3.3Å; I769-A771 PolarHBondContact O-N 2.91Å; I769-G772 PolarHBondContact O-N 2.92Å; I769-M773 PolarHBondContact O-N 2.71Å; I769-L786 HydrophobicContact CG2-CD1 4.42Å; I769-C791 HydrophobicContact CD1-CB 4.47Å; I769-V799 HydrophobicContact CD1-CG1 4.06Å; I769-V799 HydrophobicContact CG1-CG1 3.71Å; I769-I801 HydrophobicContact CG2-CD1 4Å; I769-I801 HydrophobicContact CG2-CG1 4.11Å; I769-I801 WeakPolarHBondContact O-CD1 3.08Å; I769-Y848 HydrophobicContact CB-CE2 3.94Å; I769-Y848 HydrophobicContact CG2-CD2 3.96Å; I769-Y848 HydrophobicContact CG2-CE2 3.65Å; I769-V851 HydrophobicContact CD1-CG1 3.89Å; I769-I855 HydrophobicContact CD1-CD1 4.07Å
770A98Very high93.9Very high0 Ų032.3 Ų32.30%016%0.155CC..Hα-helixtrans-60.5-39.1175.600000112.3S766 K767 M773 A774 Y848 I912 H913 L916S766-A770 PolarHBondContact O-N 2.79Å; K767-A770 WeakPolarHBondContact O-CB 3.27Å; K767-A770 PolarHBondContact O-N 3.46Å; A770-M773 PolarHBondContact O-N 3.46Å; A770-A774 WeakPolarHBondContact O-CB 3.07Å; A770-A774 PolarHBondContact O-N 2.97Å; A770-Y848 HydrophobicContact CB-CE1 4.45Å; A770-Y848 HydrophobicContact CB-CE2 4.22Å; A770-Y848 WeakPolarHBondContact CB-OH 3.37Å; A770-I912 HydrophobicContact CB-CG2 4.06Å; A770-H913 HydrophobicContact CB-CB 4.02Å; A770-L916 HydrophobicContact CB-CD1 3.95Å
771A97.9Very high93.3Very high14 Ų1432 Ų3212%0.11615%0.152CC..Hα-helixtrans-61.5-47.517600000111.5K767 Q768 I769 M773 A774 Y775K767-A771 PolarHBondContact O-N 2.75Å; Q768-A771 WeakPolarHBondContact O-CB 3.17Å; Q768-A771 PolarHBondContact O-N 3.2Å; I769-A771 VanDerWaalsContact C-N 3.3Å; I769-A771 PolarHBondContact O-N 2.91Å; A771-M773 PolarHBondContact O-N 3.25Å; A771-A774 PolarHBondContact O-N 3.16Å; A771-Y775 PolarHBondContact O-N 3.37Å; A771-Y775 VanDerWaalsContact O-N 3.11Å
772G96Very high92.8Very high0 Ų030.5 Ų30.50%015%0.146CC..Hα-helixtrans-59.9-43.5175.600000112.8Q768 I769 Y775 L776Q768-G772 PolarHBondContact O-N 2.89Å; Q768-G772 VanDerWaalsContact O-N 3.17Å; I769-G772 PolarHBondContact O-N 2.92Å; G772-Y775 WeakPolarHBondContact O-CB 3.42Å; G772-Y775 PolarHBondContact O-N 3.36Å; G772-L776 WeakPolarHBondContact O-CG 3.33Å; G772-L776 PolarHBondContact O-N 3.36Å; G772-L776 VanDerWaalsContact O-N 3.08Å
773M96.3Very high92.4Very high1 Ų130.4 Ų30.41%0.00515%0.145CC..Hα-helixtrans-70.1-32.4177.6-71.6-53.7-58.600113.4I769 A770 A771 Y775 L776 S777 H783 L786 I801 D844 F909I769-M773 PolarHBondContact O-N 2.71Å; A770-M773 PolarHBondContact O-N 3.46Å; A771-M773 PolarHBondContact O-N 3.25Å; M773-Y775 VanDerWaalsContact C-N 3.34Å; M773-L776 PolarHBondContact O-N 3.12Å; M773-L776 HydrophobicContact SD-CD1 3.91Å; M773-S777 WeakPolarHBondContact O-CB 3.38Å; M773-S777 PolarHBondContact O-N 3.14Å; M773-H783 HydrophobicContact CE-CB 4.13Å; M773-H783 HydrophobicContact SD-CB 4.44Å; M773-L786 HydrophobicContact CE-CD2 4.05Å; M773-L786 HydrophobicContact CG-CD1 4.34Å; M773-L786 HydrophobicContact CG-CD2 3.76Å; M773-L786 HydrophobicContact SD-CD1 3.88Å; M773-L786 HydrophobicContact SD-CD2 3.79Å; M773-L786 HydrophobicContact SD-CG 4.4Å; M773-I801 HydrophobicContact CB-CD1 4.43Å; M773-I801 HydrophobicContact CG-CD1 3.55Å; M773-I801 HydrophobicContact SD-CD1 3.58Å; M773-I801 VanDerWaalsContact SD-CD1 3.58Å; M773-D844 HydrophobicContact CE-CB 3.71Å; M773-F909 HydrophobicContact CB-CB 4.46Å; M773-F909 HydrophobicContact CB-CD1 3.37Å; M773-F909 HydrophobicContact CB-CD2 3.92Å; M773-F909 HydrophobicContact CB-CE1 3.35Å; M773-F909 HydrophobicContact CB-CE2 3.9Å; M773-F909 HydrophobicContact CB-CG 3.66Å; M773-F909 HydrophobicContact CB-CZ 3.62Å; M773-F909 HydrophobicContact CE-CE2 3.71Å; M773-F909 HydrophobicContact CE-CZ 3.69Å; M773-F909 HydrophobicContact CG-CD1 4.27Å; M773-F909 HydrophobicContact CG-CE1 3.76Å; M773-F909 HydrophobicContact CG-CE2 4.48Å; M773-F909 HydrophobicContact CG-CZ 3.88Å
774A96.1Very high92Very high10 Ų1032.8 Ų32.88%0.08315%0.154CC..Hα-helixtrans-61.5-45.1172.600000110.9A770 A771 L776 S777 E778 F909A770-A774 WeakPolarHBondContact O-CB 3.07Å; A770-A774 PolarHBondContact O-N 2.97Å; A771-A774 PolarHBondContact O-N 3.16Å; A774-L776 PolarHBondContact O-N 3.09Å; A774-S777 WeakPolarHBondContact O-CB 3.26Å; A774-S777 PolarHBondContact O-N 3.17Å; A774-E778 WeakPolarHBondContact O-CG 3.26Å; A774-E778 PolarHBondContact O-N 2.94Å; A774-F909 HydrophobicContact CB-CB 3.92Å
775Y95.1Very high91.5Very high26 Ų2632.1 Ų32.110%0.10215%0.148CC..Hα-helixtrans-60.3-43.6175.1175.6-84.6000113.2F692 D693 H694 I697 A771 G772 M773 R779F692-Y775 HydrophobicContact CB-CE1 4.33Å; F692-Y775 HydrophobicContact CD1-CE1 4.08Å; D693-Y775 PolarHBondContact N-OH 3.11Å; D693-Y775 WeakPolarHBondContact O-CE2 3.48Å; D693-Y775 PolarHBondContact O-OH 3.06Å; H694-Y775 HydrophobicContact CB-CD1 3.93Å; H694-Y775 HydrophobicContact CB-CD2 3.83Å; H694-Y775 HydrophobicContact CB-CE1 4.05Å; H694-Y775 HydrophobicContact CB-CE2 3.9Å; H694-Y775 HydrophobicContact CB-CG 3.81Å; H694-Y775 AromaticContact CD2-CD2 3.41Å; H694-Y775 VanDerWaalsContact CD2-CD2 3.41Å; H694-Y775 WeakPolarHBondContact CD2-CD2 3.36Å; H694-Y775 AromaticContact CD2-CG 3.65Å; H694-Y775 AromaticContact CG-CD2 3.84Å; H694-Y775 AromaticContact CG-CG 3.77Å; I697-Y775 HydrophobicContact CD1-CD1 3.25Å; I697-Y775 HydrophobicContact CD1-CE1 3.73Å; I697-Y775 HydrophobicContact CD1-CG 4.12Å; A771-Y775 PolarHBondContact O-N 3.37Å; A771-Y775 VanDerWaalsContact O-N 3.11Å; G772-Y775 WeakPolarHBondContact O-CB 3.42Å; G772-Y775 PolarHBondContact O-N 3.36Å; M773-Y775 VanDerWaalsContact C-N 3.34Å; Y775-R779 VanDerWaalsContact CD2-NH1 3.3Å; Y775-R779 VanDerWaalsContact CE2-NH2 3.29Å; Y775-R779 PolarHBondContact O-N 3.26Å; Y775-R779 VanDerWaalsContact OH-CZ 3.23Å; Y775-R779 PolarHBondContact OH-NE 3.23Å; Y775-R779 VanDerWaalsContact OH-NE 3.13Å; Y775-R779 PolarHBondContact OH-NH2 2.53Å
776L89.8Confident91.4Very high4 Ų432 Ų322%0.02115%0.147CC..Hα-helixtrans-66.2-42.3177.3-71.5177.6000111.8F692 I697 G772 M773 A774 E778 R779 K780 F781F692-L776 HydrophobicContact CD1-CD2 4.08Å; F692-L776 HydrophobicContact CD2-CD2 4.21Å; F692-L776 HydrophobicContact CE1-CD2 3.86Å; F692-L776 HydrophobicContact CE2-CD2 4Å; F692-L776 HydrophobicContact CG-CD2 4.26Å; F692-L776 HydrophobicContact CZ-CD2 3.83Å; I697-L776 HydrophobicContact CD1-CD1 4.27Å; I697-L776 HydrophobicContact CD1-CD2 3.62Å; I697-L776 HydrophobicContact CD1-CG 3.64Å; G772-L776 WeakPolarHBondContact O-CG 3.33Å; G772-L776 PolarHBondContact O-N 3.36Å; G772-L776 VanDerWaalsContact O-N 3.08Å; M773-L776 PolarHBondContact O-N 3.12Å; M773-L776 HydrophobicContact SD-CD1 3.91Å; A774-L776 PolarHBondContact O-N 3.09Å; L776-E778 PolarHBondContact O-N 3.05Å; L776-R779 CarbonylContact O-C 3.49Å; L776-R779 PolarHBondContact O-N 3.25Å; L776-R779 VanDerWaalsContact O-N 3.12Å; L776-K780 PolarHBondContact O-N 2.85Å; L776-F781 HydrophobicContact CB-CB 4.31Å; L776-F781 HydrophobicContact CB-CD1 4.21Å; L776-F781 HydrophobicContact CD1-CD1 4.04Å; L776-F781 HydrophobicContact CD1-CE1 4.38Å; L776-F781 HydrophobicContact CD2-CB 4.25Å; L776-F781 HydrophobicContact CD2-CD1 3.74Å; L776-F781 HydrophobicContact CD2-CE1 4.4Å; L776-F781 HydrophobicContact CD2-CG 4.19Å; L776-F781 HydrophobicContact CG-CD1 4.21Å; L776-F781 PolarHBondContact O-N 2.92Å
777S88.8Confident91.2Very high29 Ų2932 Ų3220%0.20315%0.147CC..Hα-helixtrans-57.7-46.6176.2168.40000112.2M773 A774 R779 K780 T841M773-S777 WeakPolarHBondContact O-CB 3.38Å; M773-S777 PolarHBondContact O-N 3.14Å; A774-S777 WeakPolarHBondContact O-CB 3.26Å; A774-S777 PolarHBondContact O-N 3.17Å; S777-R779 PolarHBondContact O-N 3.09Å; S777-K780 WeakPolarHBondContact O-CA 3.41Å; S777-K780 PolarHBondContact O-N 2.85Å; S777-T841 VanDerWaalsContact OG-CG2 3.28Å; S777-T841 WeakPolarHBondContact OG-CG2 3.49Å
778E89.3Confident91Very high133 Ų13329.7 Ų29.762%0.62114%0.137SC*.Hα-helixtrans-59.2-31.1177.1-74.6173.3-173.400112.6A774 L776 K780A774-E778 WeakPolarHBondContact O-CG 3.26Å; A774-E778 PolarHBondContact O-N 2.94Å; L776-E778 PolarHBondContact O-N 3.05Å; E778-K780 VanDerWaalsContact C-N 3.26Å; E778-K780 PolarHBondContact O-N 2.78Å
779R85.1Confident90.6Very high107 Ų10728.8 Ų28.840%0.40413%0.133SC..THydrogen-bonded Turntrans-86.26175.7-73.4166.3172.964.24.1113.5Y775 L776 S777 F781Y775-R779 VanDerWaalsContact CD2-NH1 3.3Å; Y775-R779 VanDerWaalsContact CE2-NH2 3.29Å; Y775-R779 PolarHBondContact O-N 3.26Å; Y775-R779 VanDerWaalsContact OH-CZ 3.23Å; Y775-R779 PolarHBondContact OH-NE 3.23Å; Y775-R779 VanDerWaalsContact OH-NE 3.13Å; Y775-R779 PolarHBondContact OH-NH2 2.53Å; L776-R779 CarbonylContact O-C 3.49Å; L776-R779 PolarHBondContact O-N 3.25Å; L776-R779 VanDerWaalsContact O-N 3.12Å; S777-R779 PolarHBondContact O-N 3.09Å; R779-F781 PolarHBondContact O-N 2.85Å
780K80.3Confident90.2Very high164 Ų16429 Ų2971%0.71313%0.134SC*.THydrogen-bonded Turntrans56.330.5-177-54176.7-179.1177.10112.1M612 L776 S777 E778M612-K780 HydrophobicContact CE-CB 4.21Å; L776-K780 PolarHBondContact O-N 2.85Å; S777-K780 WeakPolarHBondContact O-CA 3.41Å; S777-K780 PolarHBondContact O-N 2.85Å; E778-K780 VanDerWaalsContact C-N 3.26Å; E778-K780 PolarHBondContact O-N 2.78Å
781F81.1Confident90Very high10 Ų1029 Ų294%0.04413%0.134CC..  trans-89.6132.7173.4-175.3-94.8000109.3L688 F692 L776 R779 H783L688-F781 HydrophobicContact CD1-CE2 4.05Å; F692-F781 HydrophobicContact CE1-CG 4.5Å; F692-F781 HydrophobicContact CE2-CD2 4.29Å; F692-F781 HydrophobicContact CE2-CE1 4.5Å; F692-F781 HydrophobicContact CE2-CE2 4.19Å; F692-F781 HydrophobicContact CE2-CG 4.48Å; F692-F781 HydrophobicContact CE2-CZ 4.29Å; F692-F781 HydrophobicContact CZ-CB 4.2Å; F692-F781 HydrophobicContact CZ-CD1 4.23Å; F692-F781 AromaticContact CZ-CD2 3.58Å; F692-F781 HydrophobicContact CZ-CD2 3.58Å; F692-F781 AromaticContact CZ-CE2 3.91Å; F692-F781 HydrophobicContact CZ-CE2 3.91Å; F692-F781 AromaticContact CZ-CG 3.73Å; F692-F781 HydrophobicContact CZ-CG 3.73Å; F692-F781 HydrophobicContact CZ-CZ 4.36Å; L776-F781 HydrophobicContact CB-CB 4.31Å; L776-F781 HydrophobicContact CB-CD1 4.21Å; L776-F781 HydrophobicContact CD1-CD1 4.04Å; L776-F781 HydrophobicContact CD1-CE1 4.38Å; L776-F781 HydrophobicContact CD2-CB 4.25Å; L776-F781 HydrophobicContact CD2-CD1 3.74Å; L776-F781 HydrophobicContact CD2-CE1 4.4Å; L776-F781 HydrophobicContact CD2-CG 4.19Å; L776-F781 HydrophobicContact CG-CD1 4.21Å; L776-F781 PolarHBondContact O-N 2.92Å; R779-F781 PolarHBondContact O-N 2.85Å; F781-H783 HydrophobicContact CE1-CB 4.38Å
782V82.9Confident89.8Confident16 Ų1629.6 Ų29.610%0.09714%0.135CC..  trans-114.4119.1177.7-174.60000107.5N610 R784 T840 D844N610-V782 PolarHBondContact ND2-O 3.3Å; V782-R784 HydrophobicContact CB-CG 4.43Å; V782-R784 HydrophobicContact CG1-CG 3.81Å; V782-T840 WeakPolarHBondContact CG1-O 3.49Å; V782-D844 VanDerWaalsContact CA-OD2 3.31Å; V782-D844 WeakPolarHBondContact CA-OD2 3.17Å; V782-D844 WeakPolarHBondContact CG1-OD2 3.5Å
783H86.5Confident89.7Confident10 Ų1029.7 Ų29.75%0.04614%0.135CC..  trans-75.2-39.7-172.7-170.4-74.5000112.5M773 F781 D785 L786 D844M773-H783 HydrophobicContact CE-CB 4.13Å; M773-H783 HydrophobicContact SD-CB 4.44Å; F781-H783 HydrophobicContact CE1-CB 4.38Å; H783-D785 PolarHBondContact CE1-O 2.85Å; H783-D785 VanDerWaalsContact CE1-O 3.29Å; H783-D785 PolarHBondContact ND1-N 3.17Å; H783-D785 PolarHBondContact ND1-O 2.95Å; H783-D785 PolarHBondContact O-N 2.95Å; H783-L786 PolarHBondContact ND1-N 3.03Å; H783-L786 VanDerWaalsContact ND1-N 3.2Å; H783-D844 PolarHBondContact N-OD2 3.27Å
784R84.8Confident89.4Confident54 Ų5429.9 Ų29.920%0.20414%0.138CC..SBendtrans68.1-21.2174.5-51.7176.7171.3-159.1-11.8117.3H608 V782 Y839 D844H608-R784 PolarHBondContact O-NH1 3.35Å; V782-R784 HydrophobicContact CB-CG 4.43Å; V782-R784 HydrophobicContact CG1-CG 3.81Å; R784-Y839 HydrophobicContact CB-CD1 4.09Å; R784-Y839 HydrophobicContact CB-CE1 4.43Å; R784-Y839 HydrophobicContact CG-CD1 3.88Å; R784-Y839 HydrophobicContact CG-CG 4.15Å; R784-D844 PolarHBondContact N-OD1 2.85Å
785D87.4Confident89Confident17 Ų1736.6 Ų36.69%0.09117%0.168CC..  trans-130.545174.5-166.310.2000111H783 A787 R789 N790 Y815 P825H783-D785 PolarHBondContact CE1-O 2.85Å; H783-D785 VanDerWaalsContact CE1-O 3.29Å; H783-D785 PolarHBondContact ND1-N 3.17Å; H783-D785 PolarHBondContact ND1-O 2.95Å; H783-D785 PolarHBondContact O-N 2.95Å; D785-A787 PolarHBondContact O-N 2.9Å; D785-R789 IonicContact OD1-CZ 2.71Å; D785-R789 IonicContact OD1-NH2 3.41Å; D785-R789 PolarHBondContact OD1-NH2 2.03Å; D785-N790 PolarHBondContact O-ND2 2.78Å; D785-N790 PolarHBondContact OD2-ND2 2.84Å; D785-Y815 PolarHBondContact OD1-OH 3.33Å; D785-Y815 WeakPolarHBondContact OD2-CE1 3.46Å; D785-Y815 PolarHBondContact OD2-OH 3.13Å; D785-P825 HydrophobicContact CB-CG 4.41Å; D785-P825 WeakPolarHBondContact OD1-CB 3.32Å; D785-P825 WeakPolarHBondContact OD1-CG 3.5Å
786L92.5Very high88.6Confident1 Ų143.9 Ų43.91%0.00520%0.203CC..  trans-72.8116.8178.1-177.365.2000109.8I769 M773 H783 I801 W828 A847 Y848 V851I769-L786 HydrophobicContact CG2-CD1 4.42Å; M773-L786 HydrophobicContact CE-CD2 4.05Å; M773-L786 HydrophobicContact CG-CD1 4.34Å; M773-L786 HydrophobicContact CG-CD2 3.76Å; M773-L786 HydrophobicContact SD-CD1 3.88Å; M773-L786 HydrophobicContact SD-CD2 3.79Å; M773-L786 HydrophobicContact SD-CG 4.4Å; H783-L786 PolarHBondContact ND1-N 3.03Å; H783-L786 VanDerWaalsContact ND1-N 3.2Å; L786-I801 HydrophobicContact CD1-CG2 4.26Å; L786-W828 VanDerWaalsContact O-CD1 3.26Å; L786-A847 HydrophobicContact CB-CB 4.06Å; L786-Y848 HydrophobicContact CD2-CD2 4.17Å; L786-V851 HydrophobicContact CG-CG2 4.17Å
787A93.6Very high88.6Confident0 Ų046.6 Ų46.60%022%0.216CC..SBendtrans-157.8159.7-179.800000109.5D785 R789 N790 C791 W828D785-A787 PolarHBondContact O-N 2.9Å; A787-R789 HydrophobicContact CB-CG 3.95Å; A787-R789 PolarHBondContact O-N 2.92Å; A787-N790 CarbonylContact O-C 3.59Å; A787-N790 WeakPolarHBondContact O-CA 3.34Å; A787-N790 PolarHBondContact O-N 2.84Å; A787-C791 PolarHBondContact O-N 2.82Å; A787-W828 HydrophobicContact CB-CD2 4.17Å; A787-W828 HydrophobicContact CB-CG 4.2Å; A787-W828 HydrophobicContact CB-CZ2 4.35Å
788T93.8Very high88.9Confident0 Ų048.5 Ų48.50%022%0.223CC..G310 helixtrans-59.7-31.3179.460.30000113.2L722 N723 L726 N790 C791 V851 E854 I855L722-T788 WeakPolarHBondContact CB-O 3.3Å; L722-T788 HydrophobicContact CD2-CG2 4.06Å; L722-T788 HydrophobicContact CG-CG2 4.43Å; N723-T788 WeakPolarHBondContact CB-OG1 3.4Å; N723-T788 PolarHBondContact ND2-OG1 3.08Å; L726-T788 HydrophobicContact CD1-CG2 4.06Å; T788-N790 PolarHBondContact O-N 2.94Å; T788-C791 PolarHBondContact O-N 3.39Å; T788-V851 HydrophobicContact CG2-CG1 4.05Å; T788-E854 HydrophobicContact CG2-CB 3.57Å; T788-E854 HydrophobicContact CG2-CG 4.3Å; T788-E854 PolarHBondContact N-OE2 3.33Å; T788-E854 VanDerWaalsContact OG1-CD 3.28Å; T788-E854 PolarHBondContact OG1-OE1 2.98Å; T788-I855 HydrophobicContact CG2-CG1 4.19Å
789R88.9Confident89.3Confident8 Ų842.2 Ų42.23%0.0319%0.194CC..G310 helixtrans-63.2-18.5173.366.3-179.9176.6-84.1-17.3114.6N723 D785 A787 Y811 D814 Y815 W828N723-R789 HydrophobicContact CB-CB 4.38Å; D785-R789 IonicContact OD1-CZ 2.71Å; D785-R789 IonicContact OD1-NH2 3.41Å; D785-R789 PolarHBondContact OD1-NH2 2.03Å; A787-R789 HydrophobicContact CB-CG 3.95Å; A787-R789 PolarHBondContact O-N 2.92Å; R789-Y811 HydrophobicContact CB-CD1 4.47Å; R789-Y811 HydrophobicContact CB-CD2 3.77Å; R789-Y811 HydrophobicContact CB-CE1 4.43Å; R789-Y811 HydrophobicContact CB-CE2 3.7Å; R789-Y811 HydrophobicContact CB-CG 4.17Å; R789-Y811 HydrophobicContact CG-CD2 4.38Å; R789-D814 IonicContact CZ-OD2 2.61Å; R789-D814 IonicContact NH1-OD2 2.59Å; R789-D814 PolarHBondContact NH1-OD2 3.06Å; R789-D814 VanDerWaalsContact NH1-OD2 3.07Å; R789-Y815 PolarHBondContact NE-OH 3.44Å; R789-W828 VanDerWaalsContact NH1-CZ2 3.3Å
790N90.1Very high89.8Confident4 Ų438.4 Ų38.42%0.02118%0.18CC..G310 helixtrans-106.414.8177-69.2-26.5000111.6D785 A787 T788 A802 S807D785-N790 PolarHBondContact O-ND2 2.78Å; D785-N790 PolarHBondContact OD2-ND2 2.84Å; A787-N790 CarbonylContact O-C 3.59Å; A787-N790 WeakPolarHBondContact O-CA 3.34Å; A787-N790 PolarHBondContact O-N 2.84Å; T788-N790 PolarHBondContact O-N 2.94Å; N790-A802 PolarHBondContact O-N 3.06Å; N790-S807 WeakPolarHBondContact OD1-CB 3.43Å; N790-S807 PolarHBondContact OD1-OG 3.33Å
791C93.5Very high90.4Very high0 Ų030.7 Ų30.70%015%0.147CC..EExtended strand (participates in β ladder)trans-112.2139.5165.9-61.40000108.3D721 L722 I769 A787 T788 V799 K800D721-C791 CarbonylContact C-O 3.38Å; D721-C791 WeakPolarHBondContact CA-O 3.25Å; L722-C791 HydrophobicContact CB-CB 3.95Å; L722-C791 HydrophobicContact CD2-CB 3.99Å; L722-C791 PolarHBondContact N-O 2.98Å; I769-C791 HydrophobicContact CD1-CB 4.47Å; A787-C791 PolarHBondContact O-N 2.82Å; T788-C791 PolarHBondContact O-N 3.39Å; C791-V799 HydrophobicContact CB-CG1 4.04Å; C791-K800 CarbonylContact C-O 3.46Å; C791-K800 WeakPolarHBondContact CA-O 3.49Å
792L93.2Very high90.6Very high28 Ų2830.3 Ų30.315%0.14715%0.145CC..EExtended strand (participates in β ladder)trans-111.9149.2178.6-62.8-168.6000111V698 M717 G720 D721 V799 K800 A802 F804V698-L792 HydrophobicContact CG2-CD1 4.37Å; M717-L792 HydrophobicContact CB-CB 3.59Å; M717-L792 HydrophobicContact CB-CD1 3.87Å; M717-L792 HydrophobicContact CB-CG 4.38Å; M717-L792 HydrophobicContact CE-CB 4.18Å; M717-L792 VanDerWaalsContact CE-O 3.28Å; M717-L792 WeakPolarHBondContact CE-O 2.96Å; M717-L792 HydrophobicContact CG-CB 3.59Å; M717-L792 HydrophobicContact CG-CD1 3.77Å; M717-L792 HydrophobicContact CG-CG 4.37Å; G720-L792 WeakPolarHBondContact O-CA 3.46Å; D721-L792 HydrophobicContact CB-CD2 3.97Å; L792-V799 WeakPolarHBondContact O-CA 3.41Å; L792-K800 PolarHBondContact N-O 2.71Å; L792-K800 PolarHBondContact O-N 3.12Å; L792-A802 HydrophobicContact CD1-CB 4.39Å; L792-A802 HydrophobicContact CG-CB 4.1Å; L792-F804 HydrophobicContact CD1-CD2 4.03Å; L792-F804 HydrophobicContact CD1-CE2 3.4Å; L792-F804 VanDerWaalsContact CD1-CE2 3.4Å; L792-F804 HydrophobicContact CD1-CZ 4.36Å; L792-F804 HydrophobicContact CG-CD2 4.38Å; L792-F804 HydrophobicContact CG-CE2 4.15Å
793V94.4Very high89.7Confident1 Ų131.2 Ų31.21%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-112124.5-178-173.10000109.9M717 Q719 G720 L722 F725 I798 V799M717-V793 CarbonylContact C-O 3.15Å; Q719-V793 HydrophobicContact CB-CB 3.81Å; Q719-V793 HydrophobicContact CB-CG1 3.86Å; Q719-V793 WeakPolarHBondContact CB-O 3.3Å; Q719-V793 HydrophobicContact CG-CG1 4.26Å; Q719-V793 PolarHBondContact N-O 2.59Å; G720-V793 PolarHBondContact O-N 3.49Å; L722-V793 HydrophobicContact CB-CG2 3.86Å; L722-V793 HydrophobicContact CD1-CG2 3.62Å; L722-V793 HydrophobicContact CG-CG2 4.35Å; F725-V793 HydrophobicContact CB-CG2 4.13Å; F725-V793 HydrophobicContact CD1-CG2 4.27Å; F725-V793 HydrophobicContact CD2-CG1 4.27Å; F725-V793 HydrophobicContact CE2-CG1 4.3Å; F725-V793 HydrophobicContact CG-CB 4.48Å; F725-V793 HydrophobicContact CG-CG1 4.37Å; F725-V793 HydrophobicContact CG-CG2 4.14Å; F725-V793 HydrophobicContact CZ-CG1 4.43Å; V793-I798 WeakPolarHBondContact CA-O 2.99Å; V793-V799 HydrophobicContact CG2-CG2 4.32Å
794G90.8Very high88.2Confident6 Ų631.6 Ų31.66%0.06215%0.151CC..  trans-95.3-164.118000000111.6I798G794-I798 PolarHBondContact N-O 3.27Å
795E87.2Confident86.8Confident150 Ų15029.6 Ų29.670%0.70115%0.147SC*.G310 helixtrans-65155.2167.9-63.9178.9-17900110M797 I798E795-M797 PolarHBondContact O-N 3.49Å; E795-I798 WeakPolarHBondContact O-CG1 3.36Å; E795-I798 PolarHBondContact O-N 2.77Å; E795-I798 VanDerWaalsContact O-N 3.11Å
796E87.6Confident84.5Confident180 Ų18029.8 Ų29.884%0.84115%0.148SC*.G310 helixtrans55.526.2179.1-54.5-175.8165.800115.1I798E796-I798 PolarHBondContact O-N 3.12Å
797M88.9Confident82.4Confident61 Ų6130.1 Ų30.130%0.315%0.15SC..G310 helixtrans57.131.1-176.8-58.8-175.8-69.800113.9F725 L757 E761 Q768 E795 V799F725-M797 HydrophobicContact CZ-CG 4.1Å; F725-M797 HydrophobicContact CZ-SD 4.26Å; L757-M797 HydrophobicContact CD2-SD 4.08Å; E761-M797 HydrophobicContact CG-CE 4.08Å; Q768-M797 PolarHBondContact NE2-O 3.49Å; E795-M797 PolarHBondContact O-N 3.49Å; M797-V799 PolarHBondContact O-N 3.44Å
798I95.4Very high80.5Confident69 Ų6934.6 Ų34.635%0.35417%0.167SC..  trans-68.3123.7167.6-63.8173.6000108.5V793 G794 E795 E796 K800V793-I798 WeakPolarHBondContact CA-O 2.99Å; G794-I798 PolarHBondContact N-O 3.27Å; E795-I798 WeakPolarHBondContact O-CG1 3.36Å; E795-I798 PolarHBondContact O-N 2.77Å; E795-I798 VanDerWaalsContact O-N 3.11Å; E796-I798 PolarHBondContact O-N 3.12Å; I798-K800 HydrophobicContact CG2-CG 4.14Å
799V96.5Very high78.3Confident1 Ų139.3 Ų39.31%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-108128.1-179.8-176.80000109.7N696 L722 V765 Q768 I769 C791 L792 V793 M797N696-V799 PolarHBondContact ND2-O 2.89Å; L722-V799 HydrophobicContact CD2-CG1 4.11Å; V765-V799 HydrophobicContact CB-CG2 4.36Å; V765-V799 HydrophobicContact CG1-CG2 4.04Å; V765-V799 HydrophobicContact CG2-CG2 3.95Å; Q768-V799 HydrophobicContact CB-CB 4.29Å; I769-V799 HydrophobicContact CD1-CG1 4.06Å; I769-V799 HydrophobicContact CG1-CG1 3.71Å; C791-V799 HydrophobicContact CB-CG1 4.04Å; L792-V799 WeakPolarHBondContact O-CA 3.41Å; V793-V799 HydrophobicContact CG2-CG2 4.32Å; M797-V799 PolarHBondContact O-N 3.44Å
800K95.6Very high76.1Confident27 Ų2744 Ų4412%0.11722%0.217CC..EExtended strand (participates in β ladder)trans-125.3136178.7-55-166.8-179.2-157.10111.3P695 N696 V698 E715 M717 C791 L792 I798P695-K800 WeakPolarHBondContact O-CD 3.17Å; P695-K800 WeakPolarHBondContact O-CE 3.31Å; P695-K800 WeakPolarHBondContact O-CG 3.46Å; P695-K800 PolarHBondContact O-NZ 2.86Å; N696-K800 WeakPolarHBondContact O-CA 3.08Å; V698-K800 HydrophobicContact CG2-CB 3.65Å; E715-K800 WeakPolarHBondContact OE1-CD 3.07Å; E715-K800 WeakPolarHBondContact OE1-CE 3.5Å; E715-K800 IonicContact OE1-NZ 3.59Å; E715-K800 PolarHBondContact OE1-NZ 2.83Å; E715-K800 WeakPolarHBondContact OE2-CE 3.33Å; E715-K800 IonicContact OE2-NZ 3.51Å; E715-K800 PolarHBondContact OE2-NZ 2.93Å; M717-K800 HydrophobicContact CE-CB 3.81Å; M717-K800 HydrophobicContact CE-CD 3.9Å; M717-K800 HydrophobicContact CE-CG 3.54Å; M717-K800 HydrophobicContact SD-CD 3.9Å; M717-K800 HydrophobicContact SD-CG 4.22Å; C791-K800 CarbonylContact C-O 3.46Å; C791-K800 WeakPolarHBondContact CA-O 3.49Å; L792-K800 PolarHBondContact N-O 2.71Å; L792-K800 PolarHBondContact O-N 3.12Å; I798-K800 HydrophobicContact CG2-CG 4.14Å
801I93.8Very high74.2Confident2 Ų245.6 Ų45.61%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-74.2137.4173.8-55174.9000108.4N696 V698 I769 M773 L786N696-I801 PolarHBondContact O-N 3.29Å; V698-I801 PolarHBondContact N-O 3.25Å; I769-I801 HydrophobicContact CG2-CD1 4Å; I769-I801 HydrophobicContact CG2-CG1 4.11Å; I769-I801 WeakPolarHBondContact O-CD1 3.08Å; M773-I801 HydrophobicContact CB-CD1 4.43Å; M773-I801 HydrophobicContact CG-CD1 3.55Å; M773-I801 HydrophobicContact SD-CD1 3.58Å; M773-I801 VanDerWaalsContact SD-CD1 3.58Å; L786-I801 HydrophobicContact CD1-CG2 4.26Å
802A85.5Confident72.2Confident1 Ų148.7 Ų48.71%0.00824%0.244CC..  trans-136.4128-177.300000111.8V698 N790 L792 F804V698-A802 HydrophobicContact CB-CB 4.12Å; V698-A802 HydrophobicContact CG2-CB 3.56Å; N790-A802 PolarHBondContact O-N 3.06Å; L792-A802 HydrophobicContact CD1-CB 4.39Å; L792-A802 HydrophobicContact CG-CB 4.1Å; A802-F804 HydrophobicContact CB-CD2 3.19Å; A802-F804 HydrophobicContact CB-CE2 3.23Å; A802-F804 HydrophobicContact CB-CG 4.2Å; A802-F804 HydrophobicContact CB-CZ 4.29Å; A802-F804 PolarHBondContact O-N 3.47Å
803D64.7Low70Confident36 Ų3650.4 Ų50.419%0.19326%0.263CS..  trans-86.865.5176.6-166.12.3000110.5Y613 M689 G805Y613-D803 PolarHBondContact OH-OD2 2.91Å; M689-D803 HydrophobicContact SD-CB 4.41Å; D803-G805 PolarHBondContact O-N 3.39Å
804F55Low67.8Low18 Ų1850.8 Ų50.88%0.07927%0.265CS..  trans-94.899.3178.1-74.8-50000108.8V698 F714 L792 A802 L806 S807V698-F804 HydrophobicContact CG1-CE2 4.43Å; V698-F804 HydrophobicContact CG1-CZ 4.19Å; F714-F804 HydrophobicContact CB-CZ 4.41Å; F714-F804 AromaticContact CD2-CE1 3.86Å; F714-F804 HydrophobicContact CD2-CE1 3.86Å; F714-F804 HydrophobicContact CD2-CZ 4.18Å; F714-F804 AromaticContact CE2-CE1 3.95Å; F714-F804 HydrophobicContact CE2-CE1 3.95Å; F714-F804 HydrophobicContact CG-CE1 4.26Å; F714-F804 HydrophobicContact CG-CZ 4.15Å; F714-F804 HydrophobicContact CZ-CE1 4.44Å; L792-F804 HydrophobicContact CD1-CD2 4.03Å; L792-F804 HydrophobicContact CD1-CE2 3.4Å; L792-F804 VanDerWaalsContact CD1-CE2 3.4Å; L792-F804 HydrophobicContact CD1-CZ 4.36Å; L792-F804 HydrophobicContact CG-CD2 4.38Å; L792-F804 HydrophobicContact CG-CE2 4.15Å; A802-F804 HydrophobicContact CB-CD2 3.19Å; A802-F804 HydrophobicContact CB-CE2 3.23Å; A802-F804 HydrophobicContact CB-CG 4.2Å; A802-F804 HydrophobicContact CB-CZ 4.29Å; A802-F804 PolarHBondContact O-N 3.47Å; F804-L806 HydrophobicContact CB-CB 3.94Å; F804-L806 HydrophobicContact CB-CD1 3.65Å; F804-L806 HydrophobicContact CB-CG 3.57Å; F804-L806 HydrophobicContact CD1-CD1 3.36Å; F804-L806 HydrophobicContact CD1-CG 3.87Å; F804-L806 HydrophobicContact CD2-CD1 4.38Å; F804-L806 HydrophobicContact CE1-CD1 4.15Å; F804-L806 HydrophobicContact CG-CD1 3.52Å; F804-L806 HydrophobicContact CG-CG 3.97Å; F804-L806 PolarHBondContact O-N 2.82Å; F804-S807 PolarHBondContact O-N 2.91Å
805G53.7Low66.3Low11 Ų1150.9 Ų50.911%0.11326%0.263CS..THydrogen-bonded Turntrans-5824.6157.300000114.7A644 D803A644-G805 PolarHBondContact N-O 3.44Å; D803-G805 PolarHBondContact O-N 3.39Å
806L41.1Very low64.7Low22 Ų2246.7 Ų46.712%0.11524%0.242CC..THydrogen-bonded Turntrans-92.9-31.7179.1-48.8179.4000112.2V648 K668 F804 R808V648-L806 HydrophobicContact CB-CD1 3.97Å; V648-L806 HydrophobicContact CB-CD2 4.45Å; V648-L806 HydrophobicContact CG1-CD1 4.02Å; V648-L806 HydrophobicContact CG2-CD1 3.41Å; V648-L806 VanDerWaalsContact CG2-CD1 3.41Å; V648-L806 HydrophobicContact CG2-CD2 3.24Å; V648-L806 HydrophobicContact CG2-CG 3.93Å; K668-L806 HydrophobicContact CD-CD2 4.4Å; K668-L806 HydrophobicContact CG-CD2 4.46Å; F804-L806 HydrophobicContact CB-CB 3.94Å; F804-L806 HydrophobicContact CB-CD1 3.65Å; F804-L806 HydrophobicContact CB-CG 3.57Å; F804-L806 HydrophobicContact CD1-CD1 3.36Å; F804-L806 HydrophobicContact CD1-CG 3.87Å; F804-L806 HydrophobicContact CD2-CD1 4.38Å; F804-L806 HydrophobicContact CE1-CD1 4.15Å; F804-L806 HydrophobicContact CG-CD1 3.52Å; F804-L806 HydrophobicContact CG-CG 3.97Å; F804-L806 PolarHBondContact O-N 2.82Å; L806-R808 PolarHBondContact O-N 3.33Å
807S46.8Very low63.1Low7 Ų743.8 Ų43.85%0.04923%0.226CC..Hα-helixtrans-68-21.7-174.8540000113.8N790 F804 N809 I810 Y811 Y815N790-S807 WeakPolarHBondContact OD1-CB 3.43Å; N790-S807 PolarHBondContact OD1-OG 3.33Å; F804-S807 PolarHBondContact O-N 2.91Å; S807-N809 PolarHBondContact O-N 3.47Å; S807-I810 PolarHBondContact O-N 3.5Å; S807-Y811 WeakPolarHBondContact O-CB 3.45Å; S807-Y811 PolarHBondContact O-N 3.33Å; S807-Y815 PolarHBondContact OG-OH 3.39Å; S807-Y815 VanDerWaalsContact OG-OH 3.1Å
808R53.2Low60.8Low95 Ų9543.3 Ų43.336%0.35823%0.232SC..Hα-helixtrans-59.7-27.5-177.9-64.7-176.7-176.91772.5114.7L806 Y815L806-R808 PolarHBondContact O-N 3.33Å; R808-Y815 HydrophobicContact CG-CD1 4.47Å; R808-Y815 HydrophobicContact CG-CE1 3.96Å; R808-Y815 HydrophobicContact CG-CE2 4.26Å
809N47.8Very low58.3Low99 Ų9945.1 Ų45.153%0.52924%0.242SC..Hα-helixtrans-89.9-43.6-178.9-153.9-4.3000111.8S807S807-N809 PolarHBondContact O-N 3.47Å
810I44.2Very low55.5Low106 Ų10652.6 Ų52.654%0.54428%0.277SS..Hα-helixtrans-72.4-41.9-178.9-59.1173.8000111.3S807S807-I810 PolarHBondContact O-N 3.5Å
811Y49.2Very low52.7Low37 Ų3758.2 Ų58.215%0.14531%0.309CS..THydrogen-bonded Turntrans-103.338.8-177.9-64.3-85000112.2D721 R789 S807 A813 D814 Y815D721-Y811 VanDerWaalsContact CG-OH 3.23Å; D721-Y811 PolarHBondContact OD1-OH 3.32Å; D721-Y811 PolarHBondContact OD2-OH 2.96Å; R789-Y811 HydrophobicContact CB-CD1 4.47Å; R789-Y811 HydrophobicContact CB-CD2 3.77Å; R789-Y811 HydrophobicContact CB-CE1 4.43Å; R789-Y811 HydrophobicContact CB-CE2 3.7Å; R789-Y811 HydrophobicContact CB-CG 4.17Å; R789-Y811 HydrophobicContact CG-CD2 4.38Å; S807-Y811 WeakPolarHBondContact O-CB 3.45Å; S807-Y811 PolarHBondContact O-N 3.33Å; Y811-A813 PolarHBondContact O-N 3.42Å; Y811-D814 WeakPolarHBondContact O-CB 3.4Å; Y811-D814 PolarHBondContact O-N 3.23Å; Y811-Y815 WeakPolarHBondContact O-CD2 3.34Å
812S51Low50.9Low65 Ų6560.6 Ų60.646%0.45532%0.321SS..G310 helixtrans-56.3-22.4-174.661.20000115.1D814S812-D814 VanDerWaalsContact C-N 3.31Å
813A46.8Very low49.8Very low65 Ų6561.1 Ų61.154%0.53733%0.325SS..G310 helixtrans-75.3-13.4175.500000114.6Y811 Q861 H868Y811-A813 PolarHBondContact O-N 3.42Å; A813-Q861 PolarHBondContact O-NE2 2.75Å; A813-H868 PolarHBondContact O-CE1 3.13Å; A813-H868 PolarHBondContact O-NE2 3.26Å
814D49.8Very low50.2Low9 Ų959.6 Ų59.65%0.04832%0.317CS..G310 helixtrans-89.3-8.2176.6-71.4-13.8000112.7R789 Y811 S812 W828 Q861R789-D814 IonicContact CZ-OD2 2.61Å; R789-D814 IonicContact NH1-OD2 2.59Å; R789-D814 PolarHBondContact NH1-OD2 3.06Å; R789-D814 VanDerWaalsContact NH1-OD2 3.07Å; Y811-D814 WeakPolarHBondContact O-CB 3.4Å; Y811-D814 PolarHBondContact O-N 3.23Å; S812-D814 VanDerWaalsContact C-N 3.31Å; D814-W828 HydrophobicContact CB-CH2 4.08Å; D814-W828 HydrophobicContact CB-CZ3 3.79Å; D814-Q861 PolarHBondContact OD1-NE2 3.36Å
815Y59Low51.6Low7 Ų759.2 Ų59.23%0.02732%0.317CS..SBendtrans-110.8129.3-177-66.1-91.4000111.2D785 R789 S807 R808 Y811 A823 I824 P825D785-Y815 PolarHBondContact OD1-OH 3.33Å; D785-Y815 WeakPolarHBondContact OD2-CE1 3.46Å; D785-Y815 PolarHBondContact OD2-OH 3.13Å; R789-Y815 PolarHBondContact NE-OH 3.44Å; S807-Y815 PolarHBondContact OG-OH 3.39Å; S807-Y815 VanDerWaalsContact OG-OH 3.1Å; R808-Y815 HydrophobicContact CG-CD1 4.47Å; R808-Y815 HydrophobicContact CG-CE1 3.96Å; R808-Y815 HydrophobicContact CG-CE2 4.26Å; Y811-Y815 WeakPolarHBondContact O-CD2 3.34Å; Y815-A823 HydrophobicContact CD1-CB 4.13Å; Y815-A823 HydrophobicContact CG-CB 4.23Å; Y815-I824 WeakPolarHBondContact CA-O 3.28Å; Y815-P825 HydrophobicContact CD1-CB 4.12Å; Y815-P825 HydrophobicContact CE1-CB 3.87Å; Y815-P825 HydrophobicContact CE1-CG 4.34Å
816Y52.7Low53.2Low63 Ų6358.7 Ų58.725%0.24731%0.311CS..EExtended strand (participates in β ladder)trans-77.2134.1164.8178.1-102.2000109.5L604 A818 A823 I824 I826 H868L604-Y816 HydrophobicContact CD1-CD1 4.04Å; L604-Y816 HydrophobicContact CD1-CE1 3.97Å; Y816-A818 HydrophobicContact CE1-CB 3.92Å; Y816-A823 WeakPolarHBondContact O-CA 3.21Å; Y816-I824 PolarHBondContact N-O 2.99Å; Y816-I824 PolarHBondContact O-N 3.37Å; Y816-I826 HydrophobicContact CD1-CG1 4.33Å; Y816-I826 HydrophobicContact CG-CG1 3.99Å; Y816-H868 HydrophobicContact CD2-CB 3.92Å
817K55.6Low55.5Low119 Ų11958.1 Ų58.152%0.51731%0.308SS..EExtended strand (participates in β ladder)trans-120.1109176.6-65.6-174.6-178.4-174.70109.3A823K817-A823 HydrophobicContact CG-CB 4.12Å
818A39.9Very low57.8Low51 Ų5158 Ų5842%0.42131%0.306SS..SBendtrans-76.9-37.3170.700000111.2Y816Y816-A818 HydrophobicContact CE1-CB 3.92Å
819N41.8Very low59.5Low106 Ų10653.7 Ų53.757%0.56729%0.29SS*.SBendtrans-137.7174.4179.9-68.4-26.5000111.1N821N819-N821 VanDerWaalsContact C-N 3.25Å; N819-N821 PolarHBondContact O-N 2.96Å
820E38Very low61.6Low158 Ų15849.2 Ų49.274%0.73827%0.266SS*.THydrogen-bonded Turntrans-62.5-21.9-177.2-72.6-175162.400115
821N38Very low63.5Low146 Ų14645.1 Ų45.178%0.78125%0.247SC*.THydrogen-bonded Turntrans-110.6-10.8-173.4-69.2-16.7000115.5N819N819-N821 VanDerWaalsContact C-N 3.25Å; N819-N821 PolarHBondContact O-N 2.96Å
822D54.6Low65Low52 Ų5244 Ų4428%0.27824%0.243SC..  trans-12088.3-168.7-65-41.2000111.2
823A63.9Low66.6Low11 Ų1140.9 Ų40.99%0.09122%0.221CC..EExtended strand (participates in β ladder)trans-95.6123.3176.100000110.3Y815 Y816 K817Y815-A823 HydrophobicContact CD1-CB 4.13Å; Y815-A823 HydrophobicContact CG-CB 4.23Å; Y816-A823 WeakPolarHBondContact O-CA 3.21Å; K817-A823 HydrophobicContact CG-CB 4.12Å
824I72.6Confident67.9Low4 Ų437.8 Ų37.82%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-127.5130.9-170.7-55.6-179.1000110.7L604 L607 Y815 Y816 I826 M829L604-I824 HydrophobicContact CB-CD1 4.09Å; L604-I824 HydrophobicContact CD1-CD1 4.37Å; L604-I824 HydrophobicContact CD2-CD1 3.73Å; L604-I824 HydrophobicContact CD2-CG2 4.26Å; L604-I824 HydrophobicContact CG-CD1 4.3Å; L607-I824 HydrophobicContact CD1-CG1 4.45Å; Y815-I824 WeakPolarHBondContact CA-O 3.28Å; Y816-I824 PolarHBondContact N-O 2.99Å; Y816-I824 PolarHBondContact O-N 3.37Å; I824-I826 VanDerWaalsContact C-N 3.32Å; I824-I826 HydrophobicContact CG2-CD1 4.38Å; I824-I826 PolarHBondContact O-N 3.49Å; I824-M829 HydrophobicContact CG2-CE 3.88Å; I824-M829 HydrophobicContact CG2-SD 3.11Å; I824-M829 WeakPolarHBondContact CG2-SD 3.44Å
825P85Confident68.9Low10 Ų1037.9 Ų37.97%0.06520%0.196CC..  trans-82.864.9-172.836.1-39000113.1D785 Y815 R827 W828 M829D785-P825 HydrophobicContact CB-CG 4.41Å; D785-P825 WeakPolarHBondContact OD1-CB 3.32Å; D785-P825 WeakPolarHBondContact OD1-CG 3.5Å; Y815-P825 HydrophobicContact CD1-CB 4.12Å; Y815-P825 HydrophobicContact CE1-CB 3.87Å; Y815-P825 HydrophobicContact CE1-CG 4.34Å; P825-R827 PolarHBondContact O-N 3.11Å; P825-W828 HydrophobicContact CB-CE3 4.34Å; P825-W828 PolarHBondContact O-N 3.27Å; P825-M829 HydrophobicContact CG-CG 4.45Å; P825-M829 WeakPolarHBondContact O-CG 3.31Å; P825-M829 PolarHBondContact O-N 3.03Å
826I85.3Confident69.5Low1 Ų144.8 Ų44.81%0.00522%0.223CC..G310 helixtrans-47.7-39.3-170.5-72.4-67.3000115L602 L604 Y816 I824 W828 M829 I834 V871 I872L602-I826 HydrophobicContact CD2-CD1 4.4Å; L604-I826 HydrophobicContact CD1-CD1 3.95Å; L604-I826 HydrophobicContact CD2-CD1 4.49Å; Y816-I826 HydrophobicContact CD1-CG1 4.33Å; Y816-I826 HydrophobicContact CG-CG1 3.99Å; I824-I826 VanDerWaalsContact C-N 3.32Å; I824-I826 HydrophobicContact CG2-CD1 4.38Å; I824-I826 PolarHBondContact O-N 3.49Å; I826-W828 PolarHBondContact O-N 3.4Å; I826-M829 HydrophobicContact CD1-SD 3.99Å; I826-M829 PolarHBondContact O-N 3.46Å; I826-M829 VanDerWaalsContact O-N 3.14Å; I826-I834 HydrophobicContact CD1-CG1 4.36Å; I826-V871 HydrophobicContact CG2-CG1 4.49Å; I826-I872 HydrophobicContact CD1-CD1 4.19Å; I826-I872 HydrophobicContact CD1-CG1 4.27Å; I826-I872 HydrophobicContact CG1-CD1 4.46Å; I826-I872 HydrophobicContact CG2-CD1 4.01Å; I826-I872 HydrophobicContact CG2-CG1 3.47Å; I826-I872 VanDerWaalsContact CG2-CG1 3.47Å
827R90.9Very high70.2Confident9 Ų942.6 Ų42.63%0.03422%0.215CC..G310 helixtrans-69.9-16.1-175.8-56.1169179.7-84-5.9113.7P825 P862 Y863 M866 V871P825-R827 PolarHBondContact O-N 3.11Å; R827-P862 HydrophobicContact CB-CG 3.87Å; R827-P862 WeakPolarHBondContact CD-O 3.44Å; R827-P862 PolarHBondContact NH1-O 3.13Å; R827-Y863 HydrophobicContact CB-CD2 4.14Å; R827-Y863 HydrophobicContact CB-CE2 4.49Å; R827-Y863 HydrophobicContact CG-CD2 4.41Å; R827-Y863 PolarHBondContact NH1-O 3.01Å; R827-M866 PolarHBondContact NH1-O 2.96Å; R827-M866 PolarHBondContact NH2-O 3.02Å; R827-V871 HydrophobicContact CG-CG1 4.41Å; R827-V871 HydrophobicContact CG-CG2 4.39Å
828W93.9Very high71Confident4 Ų444.5 Ų44.52%0.01522%0.219CC..G310 helixtrans-103.1-5175.9-71.5-100000112.6L786 A787 R789 D814 P825 I826 A847 V850 E854 P862L786-W828 VanDerWaalsContact O-CD1 3.26Å; A787-W828 HydrophobicContact CB-CD2 4.17Å; A787-W828 HydrophobicContact CB-CG 4.2Å; A787-W828 HydrophobicContact CB-CZ2 4.35Å; R789-W828 VanDerWaalsContact NH1-CZ2 3.3Å; D814-W828 HydrophobicContact CB-CH2 4.08Å; D814-W828 HydrophobicContact CB-CZ3 3.79Å; P825-W828 HydrophobicContact CB-CE3 4.34Å; P825-W828 PolarHBondContact O-N 3.27Å; I826-W828 PolarHBondContact O-N 3.4Å; W828-A847 HydrophobicContact CB-CB 4.36Å; W828-A847 WeakPolarHBondContact O-CA 3.43Å; W828-A847 WeakPolarHBondContact O-CB 3.49Å; W828-V850 HydrophobicContact CD2-CG1 4.34Å; W828-V850 HydrophobicContact CG-CB 4.37Å; W828-V850 HydrophobicContact CG-CG1 4.05Å; W828-E854 HydrophobicContact CZ2-CG 4.36Å; W828-E854 WeakPolarHBondContact CZ2-OE1 3.4Å; W828-E854 PolarHBondContact NE1-OE2 3.19Å; W828-P862 HydrophobicContact CD2-CG 4.36Å; W828-P862 HydrophobicContact CE3-CG 4.48Å; W828-P862 HydrophobicContact CH2-CG 3.6Å; W828-P862 HydrophobicContact CZ2-CG 3.48Å; W828-P862 VanDerWaalsContact CZ2-CG 3.48Å; W828-P862 HydrophobicContact CZ3-CG 4.12Å
829M89.8Confident72.9Confident6 Ų643.6 Ų43.63%0.0321%0.205CC..  trans-88.9141-174.2-69.6173.968.800112.3L604 I824 P825 I826 S833 I834 Y839 W846L604-M829 HydrophobicContact CD2-CE 4.12Å; I824-M829 HydrophobicContact CG2-CE 3.88Å; I824-M829 HydrophobicContact CG2-SD 3.11Å; I824-M829 WeakPolarHBondContact CG2-SD 3.44Å; P825-M829 HydrophobicContact CG-CG 4.45Å; P825-M829 WeakPolarHBondContact O-CG 3.31Å; P825-M829 PolarHBondContact O-N 3.03Å; I826-M829 HydrophobicContact CD1-SD 3.99Å; I826-M829 PolarHBondContact O-N 3.46Å; I826-M829 VanDerWaalsContact O-N 3.14Å; M829-S833 WeakPolarHBondContact CE-O 3.42Å; M829-I834 HydrophobicContact CB-CD1 3.93Å; M829-I834 HydrophobicContact CB-CG1 3.56Å; M829-I834 HydrophobicContact CE-CG1 4.01Å; M829-I834 WeakPolarHBondContact O-CD1 3.46Å; M829-I834 HydrophobicContact SD-CG1 4.35Å; M829-Y839 HydrophobicContact CE-CE1 4.23Å; M829-Y839 WeakPolarHBondContact CE-OH 3.45Å; M829-W846 PolarHBondContact O-NE1 3.1Å; M829-W846 VanDerWaalsContact O-NE1 3.17Å
830P91.1Very high75Confident4 Ų440 Ų403%0.02619%0.187CC..  trans-76.2162.9170.534.4-38.8000112.1E832 S833 I834 W846P830-E832 VanDerWaalsContact C-N 3.28Å; P830-E832 WeakPolarHBondContact CB-OE1 3.49Å; P830-E832 WeakPolarHBondContact CB-OE2 3.4Å; P830-E832 WeakPolarHBondContact CG-OE1 3.37Å; P830-E832 PolarHBondContact O-N 3.05Å; P830-S833 VanDerWaalsContact CG-OG 3.23Å; P830-S833 WeakPolarHBondContact CG-OG 3.5Å; P830-S833 PolarHBondContact O-N 2.97Å; P830-S833 VanDerWaalsContact O-N 3.11Å; P830-I834 WeakPolarHBondContact O-CG1 3.46Å; P830-I834 PolarHBondContact O-N 3.1Å; P830-W846 HydrophobicContact CB-CB 3.65Å; P830-W846 HydrophobicContact CB-CD2 3.55Å; P830-W846 HydrophobicContact CB-CE3 3.84Å; P830-W846 HydrophobicContact CB-CG 3.45Å; P830-W846 VanDerWaalsContact CB-CG 3.45Å; P830-W846 HydrophobicContact CG-CB 4.22Å; P830-W846 HydrophobicContact CG-CG 4.33Å
831P84.3Confident77.5Confident20 Ų2033.7 Ų33.713%0.1316%0.159CC..Hα-helixtrans-55.2-39.7178.721.6-33.3000112.6S833 I834 F835 W846 V875P831-S833 VanDerWaalsContact C-N 3.32Å; P831-S833 PolarHBondContact O-N 3.2Å; P831-I834 PolarHBondContact O-N 3.06Å; P831-F835 HydrophobicContact CB-CD2 3.85Å; P831-F835 HydrophobicContact CB-CE2 3.86Å; P831-F835 WeakPolarHBondContact O-CB 3.3Å; P831-F835 WeakPolarHBondContact O-CD2 3.5Å; P831-F835 PolarHBondContact O-N 3.4Å; P831-W846 VanDerWaalsContact CD-CZ3 3.48Å; P831-W846 HydrophobicContact CG-CH2 4.33Å; P831-W846 HydrophobicContact CG-CZ3 4.16Å; P831-V875 HydrophobicContact CB-CG1 4.48Å
832E81.9Confident80.1Confident13 Ų1330.4 Ų30.46%0.06114%0.139CC..Hα-helixtrans-68.8-28.3-17974.5-75174.500114.4P830 Y836 N837 R838 S843 P903 R906P830-E832 VanDerWaalsContact C-N 3.28Å; P830-E832 WeakPolarHBondContact CB-OE1 3.49Å; P830-E832 WeakPolarHBondContact CB-OE2 3.4Å; P830-E832 WeakPolarHBondContact CG-OE1 3.37Å; P830-E832 PolarHBondContact O-N 3.05Å; E832-Y836 HydrophobicContact CB-CD2 4.27Å; E832-Y836 CarbonylContact O-C 3.58Å; E832-Y836 WeakPolarHBondContact O-CA 3.28Å; E832-Y836 WeakPolarHBondContact O-CB 3.33Å; E832-Y836 PolarHBondContact O-N 3.26Å; E832-Y836 VanDerWaalsContact O-N 3.08Å; E832-N837 PolarHBondContact O-N 3.19Å; E832-R838 HydrophobicContact CB-CB 4.39Å; E832-R838 HydrophobicContact CG-CB 4.27Å; E832-R838 PolarHBondContact O-N 3.26Å; E832-R838 VanDerWaalsContact O-N 3.15Å; E832-S843 PolarHBondContact OE1-OG 2.96Å; E832-P903 HydrophobicContact CG-CG 4.01Å; E832-R906 IonicContact OE1-CZ 2.71Å; E832-R906 IonicContact OE1-NH1 3.88Å; E832-R906 PolarHBondContact OE1-NH1 3.3Å; E832-R906 IonicContact OE1-NH2 2.63Å; E832-R906 IonicContact OE2-CZ 3.53Å; E832-R906 IonicContact OE2-NH1 3.54Å; E832-R906 IonicContact OE2-NH2 2.82Å; E832-R906 PolarHBondContact OE2-NH2 2.97Å
833S83Confident81.9Confident1 Ų128 Ų281%0.00713%0.127CC..Hα-helixtrans-77-37173.3-56.30000111.4M829 P830 P831 N837 R838M829-S833 WeakPolarHBondContact CE-O 3.42Å; P830-S833 VanDerWaalsContact CG-OG 3.23Å; P830-S833 WeakPolarHBondContact CG-OG 3.5Å; P830-S833 PolarHBondContact O-N 2.97Å; P830-S833 VanDerWaalsContact O-N 3.11Å; P831-S833 VanDerWaalsContact C-N 3.32Å; P831-S833 PolarHBondContact O-N 3.2Å; S833-N837 WeakPolarHBondContact O-CA 3.42Å; S833-N837 PolarHBondContact O-N 3.03Å; S833-R838 VanDerWaalsContact CA-O 3.28Å; S833-R838 WeakPolarHBondContact CA-O 3.45Å; S833-R838 WeakPolarHBondContact CB-O 3.48Å; S833-R838 PolarHBondContact N-O 3.29Å; S833-R838 PolarHBondContact OG-O 3.2Å
834I74.7Confident83.4Confident0 Ų027.7 Ų27.70%012%0.123CC..Hα-helixtrans-68.7-51.1179.5-68.4174.3000111.2L602 I826 M829 P830 P831 I872L602-I834 HydrophobicContact CD1-CG2 3.78Å; L602-I834 HydrophobicContact CD2-CG2 3.49Å; L602-I834 VanDerWaalsContact CD2-CG2 3.49Å; L602-I834 HydrophobicContact CG-CG2 3.57Å; L602-I834 WeakPolarHBondContact CG-O 3.47Å; I826-I834 HydrophobicContact CD1-CG1 4.36Å; M829-I834 HydrophobicContact CB-CD1 3.93Å; M829-I834 HydrophobicContact CB-CG1 3.56Å; M829-I834 HydrophobicContact CE-CG1 4.01Å; M829-I834 WeakPolarHBondContact O-CD1 3.46Å; M829-I834 HydrophobicContact SD-CG1 4.35Å; P830-I834 WeakPolarHBondContact O-CG1 3.46Å; P830-I834 PolarHBondContact O-N 3.1Å; P831-I834 PolarHBondContact O-N 3.06Å; I834-I872 HydrophobicContact CG2-CG1 4.3Å; I834-I872 HydrophobicContact CG2-CG2 3.94Å
835F71.9Confident84.6Confident11 Ų1127.6 Ų27.65%0.04812%0.123CC..Hα-helixtrans-93.2-28.3-171-57-67.1000113.3E601 L602 L603 P831 I872 R876E601-F835 HydrophobicContact CB-CD1 3.91Å; E601-F835 VanDerWaalsContact O-O 3.1Å; L602-F835 HydrophobicContact CD1-CD1 3.59Å; L602-F835 HydrophobicContact CD1-CE1 3.31Å; L602-F835 HydrophobicContact CD1-CZ 4.31Å; L602-F835 HydrophobicContact CG-CD1 4.22Å; L602-F835 HydrophobicContact CG-CE1 4.31Å; L603-F835 WeakPolarHBondContact CB-O 3.44Å; P831-F835 HydrophobicContact CB-CD2 3.85Å; P831-F835 HydrophobicContact CB-CE2 3.86Å; P831-F835 WeakPolarHBondContact O-CB 3.3Å; P831-F835 WeakPolarHBondContact O-CD2 3.5Å; P831-F835 PolarHBondContact O-N 3.4Å; F835-I872 HydrophobicContact CE1-CG2 3.8Å; F835-I872 HydrophobicContact CZ-CG2 3.74Å; F835-R876 HydrophobicContact CE1-CB 4.38Å; F835-R876 HydrophobicContact CE1-CG 4.21Å; F835-R876 HydrophobicContact CE2-CB 4.04Å; F835-R876 HydrophobicContact CE2-CG 4.12Å; F835-R876 HydrophobicContact CZ-CB 3.57Å; F835-R876 HydrophobicContact CZ-CG 3.74Å
836Y70.1Confident85.2Confident152 Ų15227.3 Ų27.360%0.59612%0.121SC*.Hα-helixtrans-123.58.5-172.4-49.8-64.7000114.2E832 R838E832-Y836 HydrophobicContact CB-CD2 4.27Å; E832-Y836 CarbonylContact O-C 3.58Å; E832-Y836 WeakPolarHBondContact O-CA 3.28Å; E832-Y836 WeakPolarHBondContact O-CB 3.33Å; E832-Y836 PolarHBondContact O-N 3.26Å; E832-Y836 VanDerWaalsContact O-N 3.08Å; Y836-R838 PolarHBondContact O-N 3.33Å
837N67.6Low85.7Confident17 Ų1727.6 Ų27.69%0.09112%0.123CC..  trans52.129.8-179.4-156.320.1000113.4R606 H608 E832 S833 Y839R606-N837 PolarHBondContact O-ND2 2.96Å; R606-N837 VanDerWaalsContact O-ND2 3.11Å; H608-N837 PolarHBondContact CD2-ND2 3.29Å; H608-N837 VanDerWaalsContact CD2-ND2 3.26Å; E832-N837 PolarHBondContact O-N 3.19Å; S833-N837 WeakPolarHBondContact O-CA 3.42Å; S833-N837 PolarHBondContact O-N 3.03Å; N837-Y839 WeakPolarHBondContact OD1-CE2 2.94Å
838R72.4Confident86.1Confident158 Ų15827.1 Ų27.160%0.59612%0.121SC*.  trans-97.5122.5-176.9-174.3174.1177.6162.3-1.7110.1E832 S833 Y836 T840 S843E832-R838 HydrophobicContact CB-CB 4.39Å; E832-R838 HydrophobicContact CG-CB 4.27Å; E832-R838 PolarHBondContact O-N 3.26Å; E832-R838 VanDerWaalsContact O-N 3.15Å; S833-R838 VanDerWaalsContact CA-O 3.28Å; S833-R838 WeakPolarHBondContact CA-O 3.45Å; S833-R838 WeakPolarHBondContact CB-O 3.48Å; S833-R838 PolarHBondContact N-O 3.29Å; S833-R838 PolarHBondContact OG-O 3.2Å; Y836-R838 PolarHBondContact O-N 3.33Å; R838-T840 HydrophobicContact CG-CG2 4.24Å; R838-S843 PolarHBondContact O-OG 2.63Å
839Y80.5Confident86.3Confident32 Ų3227 Ų2713%0.12512%0.121CC..  trans-121.6117.9177.1-62.7-89.5000110.1L607 R784 M829 N837L607-Y839 HydrophobicContact CD2-CE1 4.34Å; L607-Y839 HydrophobicContact CD2-CE2 3.66Å; L607-Y839 VanDerWaalsContact CD2-CZ 3.46Å; L607-Y839 WeakPolarHBondContact CD2-OH 3.36Å; R784-Y839 HydrophobicContact CB-CD1 4.09Å; R784-Y839 HydrophobicContact CB-CE1 4.43Å; R784-Y839 HydrophobicContact CG-CD1 3.88Å; R784-Y839 HydrophobicContact CG-CG 4.15Å; M829-Y839 HydrophobicContact CE-CE1 4.23Å; M829-Y839 WeakPolarHBondContact CE-OH 3.45Å; N837-Y839 WeakPolarHBondContact OD1-CE2 2.94Å
840T85.8Confident86.6Confident30 Ų3026.7 Ų26.718%0.18412%0.119CC..  trans-133.8176.6174.9670000110V782 R838 E842 S843 D844V782-T840 WeakPolarHBondContact CG1-O 3.49Å; R838-T840 HydrophobicContact CG-CG2 4.24Å; T840-E842 WeakPolarHBondContact CB-OE2 3.49Å; T840-E842 PolarHBondContact O-N 2.9Å; T840-E842 PolarHBondContact OG1-N 3.46Å; T840-E842 PolarHBondContact OG1-OE2 3.13Å; T840-S843 PolarHBondContact N-OG 3.18Å; T840-S843 VanDerWaalsContact N-OG 3.12Å; T840-S843 WeakPolarHBondContact O-CA 3.36Å; T840-S843 WeakPolarHBondContact O-CB 3.44Å; T840-S843 PolarHBondContact O-N 3.39Å; T840-D844 PolarHBondContact O-N 3.01Å
841T89.5Confident86.9Confident26 Ų2626.5 Ų26.516%0.1612%0.118CC..Hα-helixtrans-58.1-36.6173.3-59.60000111.5S777 S843 D844 V845 F909S777-T841 VanDerWaalsContact OG-CG2 3.28Å; S777-T841 WeakPolarHBondContact OG-CG2 3.49Å; T841-S843 PolarHBondContact O-N 3.47Å; T841-D844 WeakPolarHBondContact O-CB 3.39Å; T841-D844 PolarHBondContact O-N 3.38Å; T841-V845 WeakPolarHBondContact O-CG2 3.43Å; T841-V845 PolarHBondContact O-N 3.43Å; T841-F909 HydrophobicContact CG2-CD2 3.8Å; T841-F909 HydrophobicContact CG2-CE2 3.97Å
842E93.8Very high87.6Confident77 Ų7725.5 Ų25.536%0.3611%0.112SC..Hα-helixtrans-64.9-26.9175.1-57.376.8-168.700111.9T840 V845 W846 P903 R906T840-E842 WeakPolarHBondContact CB-OE2 3.49Å; T840-E842 PolarHBondContact O-N 2.9Å; T840-E842 PolarHBondContact OG1-N 3.46Å; T840-E842 PolarHBondContact OG1-OE2 3.13Å; E842-V845 WeakPolarHBondContact O-CB 3.39Å; E842-V845 PolarHBondContact O-N 3.05Å; E842-W846 PolarHBondContact O-N 2.96Å; E842-P903 HydrophobicContact CB-CB 3.82Å; E842-P903 HydrophobicContact CG-CB 4.37Å; E842-P903 WeakPolarHBondContact CG-O 3.33Å; E842-R906 VanDerWaalsContact O-CD 3.32Å; E842-R906 WeakPolarHBondContact O-CD 3.48Å; E842-R906 PolarHBondContact O-NH1 2.86Å
843S92.2Very high88.3Confident3 Ų325.7 Ų25.72%0.02111%0.112CC..Hα-helixtrans-69.9-38.3171-520000111.9E832 R838 T840 T841 V845 W846 A847E832-S843 PolarHBondContact OE1-OG 2.96Å; R838-S843 PolarHBondContact O-OG 2.63Å; T840-S843 PolarHBondContact N-OG 3.18Å; T840-S843 VanDerWaalsContact N-OG 3.12Å; T840-S843 WeakPolarHBondContact O-CA 3.36Å; T840-S843 WeakPolarHBondContact O-CB 3.44Å; T840-S843 PolarHBondContact O-N 3.39Å; T841-S843 PolarHBondContact O-N 3.47Å; S843-V845 VanDerWaalsContact C-N 3.3Å; S843-V845 PolarHBondContact O-N 2.89Å; S843-W846 WeakPolarHBondContact O-CB 3.3Å; S843-W846 PolarHBondContact O-N 3.46Å; S843-A847 PolarHBondContact O-N 3.11Å
844D94.4Very high88.9Confident3 Ų325.7 Ų25.72%0.01611%0.112CC..Hα-helixtrans-68.3-29.8172.2-71.1-28.5000112.1M773 V782 H783 R784 T840 T841 W846 A847 Y848 F909M773-D844 HydrophobicContact CE-CB 3.71Å; V782-D844 VanDerWaalsContact CA-OD2 3.31Å; V782-D844 WeakPolarHBondContact CA-OD2 3.17Å; V782-D844 WeakPolarHBondContact CG1-OD2 3.5Å; H783-D844 PolarHBondContact N-OD2 3.27Å; R784-D844 PolarHBondContact N-OD1 2.85Å; T840-D844 PolarHBondContact O-N 3.01Å; T841-D844 WeakPolarHBondContact O-CB 3.39Å; T841-D844 PolarHBondContact O-N 3.38Å; D844-W846 VanDerWaalsContact C-N 3.31Å; D844-W846 PolarHBondContact O-N 3.39Å; D844-A847 WeakPolarHBondContact O-CB 3.46Å; D844-A847 PolarHBondContact O-N 3.31Å; D844-Y848 WeakPolarHBondContact O-CB 3.45Å; D844-Y848 PolarHBondContact O-N 3.02Å; D844-F909 HydrophobicContact CB-CE2 3.93Å; D844-F909 HydrophobicContact CB-CZ 3.98Å
845V97.8Very high89.9Confident2 Ų225.7 Ų25.71%0.01211%0.112CC..Hα-helixtrans-61.5-40.1173.6170.70000111.1T841 E842 S843 Y848 G849 C898 R906 P907 F909 I912T841-V845 WeakPolarHBondContact O-CG2 3.43Å; T841-V845 PolarHBondContact O-N 3.43Å; E842-V845 WeakPolarHBondContact O-CB 3.39Å; E842-V845 PolarHBondContact O-N 3.05Å; S843-V845 VanDerWaalsContact C-N 3.3Å; S843-V845 PolarHBondContact O-N 2.89Å; V845-Y848 WeakPolarHBondContact O-CB 3.35Å; V845-Y848 PolarHBondContact O-N 3.38Å; V845-G849 PolarHBondContact O-N 3.43Å; V845-C898 HydrophobicContact CG1-CB 4.01Å; V845-C898 WeakPolarHBondContact O-CB 3.49Å; V845-R906 HydrophobicContact CB-CB 4.48Å; V845-R906 HydrophobicContact CG1-CB 3.9Å; V845-P907 HydrophobicContact CG1-CG 4.48Å; V845-P907 WeakPolarHBondContact CG1-O 3.4Å; V845-P907 WeakPolarHBondContact CG2-O 3.32Å; V845-F909 HydrophobicContact CB-CZ 4.43Å; V845-F909 HydrophobicContact CG2-CD2 3.88Å; V845-F909 HydrophobicContact CG2-CE1 4.29Å; V845-F909 HydrophobicContact CG2-CE2 3.6Å; V845-F909 HydrophobicContact CG2-CG 4.34Å; V845-F909 HydrophobicContact CG2-CZ 3.83Å; V845-I912 HydrophobicContact CG1-CD1 3.8Å; V845-I912 HydrophobicContact CG2-CD1 4.29Å
846W97.7Very high91Very high5 Ų525.4 Ų25.42%0.01911%0.11CC..Hα-helixtrans-60.6-48.2173.1178.4-73.4000111.7M829 P830 P831 E842 S843 D844 Y848 G849 V850 V875 C898 W899M829-W846 PolarHBondContact O-NE1 3.1Å; M829-W846 VanDerWaalsContact O-NE1 3.17Å; P830-W846 HydrophobicContact CB-CB 3.65Å; P830-W846 HydrophobicContact CB-CD2 3.55Å; P830-W846 HydrophobicContact CB-CE3 3.84Å; P830-W846 HydrophobicContact CB-CG 3.45Å; P830-W846 VanDerWaalsContact CB-CG 3.45Å; P830-W846 HydrophobicContact CG-CB 4.22Å; P830-W846 HydrophobicContact CG-CG 4.33Å; P831-W846 VanDerWaalsContact CD-CZ3 3.48Å; P831-W846 HydrophobicContact CG-CH2 4.33Å; P831-W846 HydrophobicContact CG-CZ3 4.16Å; E842-W846 PolarHBondContact O-N 2.96Å; S843-W846 WeakPolarHBondContact O-CB 3.3Å; S843-W846 PolarHBondContact O-N 3.46Å; D844-W846 VanDerWaalsContact C-N 3.31Å; D844-W846 PolarHBondContact O-N 3.39Å; W846-Y848 PolarHBondContact O-N 2.97Å; W846-G849 PolarHBondContact O-N 3.43Å; W846-G849 VanDerWaalsContact O-N 3.08Å; W846-V850 PolarHBondContact O-N 2.97Å; W846-V875 HydrophobicContact CH2-CG1 3.93Å; W846-V875 HydrophobicContact CZ2-CG1 3.65Å; W846-V875 HydrophobicContact CZ2-CG2 4.47Å; W846-C898 WeakPolarHBondContact CA-O 3.17Å; W846-W899 HydrophobicContact CD2-CB 4.5Å; W846-W899 AromaticContact CD2-CD1 3.63Å; W846-W899 HydrophobicContact CD2-CG 4.42Å; W846-W899 AromaticContact CE2-CD1 3.68Å; W846-W899 HydrophobicContact CE3-CB 4.14Å; W846-W899 AromaticContact CG-CD1 3.88Å; W846-W899 HydrophobicContact CH2-CB 4.07Å; W846-W899 HydrophobicContact CZ2-CB 4.45Å; W846-W899 HydrophobicContact CZ2-CG 4.49Å; W846-W899 VanDerWaalsContact CZ3-C 3.49Å; W846-W899 HydrophobicContact CZ3-CB 3.92Å; W846-W899 WeakPolarHBondContact CZ3-O 3.33Å; W846-W899 AromaticContact NE1-CD1 3.97Å; W846-W899 PolarHBondContact O-NE1 2.95Å
847A96.9Very high92Very high6 Ų618.5 Ų18.55%0.059%0.085CC..Hα-helixtrans-59.6-37.9177.400000111.4L786 W828 S843 D844 G849 V850 V851L786-A847 HydrophobicContact CB-CB 4.06Å; W828-A847 HydrophobicContact CB-CB 4.36Å; W828-A847 WeakPolarHBondContact O-CA 3.43Å; W828-A847 WeakPolarHBondContact O-CB 3.49Å; S843-A847 PolarHBondContact O-N 3.11Å; D844-A847 WeakPolarHBondContact O-CB 3.46Å; D844-A847 PolarHBondContact O-N 3.31Å; A847-G849 PolarHBondContact O-N 3.28Å; A847-V850 WeakPolarHBondContact O-CA 3.38Å; A847-V850 WeakPolarHBondContact O-CB 3.33Å; A847-V850 PolarHBondContact O-N 3.45Å; A847-V850 VanDerWaalsContact O-N 3.09Å; A847-V851 PolarHBondContact O-N 3.28Å
848Y98.3Very high93.1Very high0 Ų019.2 Ų19.20%09%0.087CC..Hα-helixtrans-63.3-37.7174.5-175.6-98.4000112.9S766 I769 A770 L786 D844 V845 W846 V850 V851 L852 F909 I912 L916S766-Y848 VanDerWaalsContact C-OH 3.3Å; S766-Y848 PolarHBondContact O-OH 3.28Å; I769-Y848 HydrophobicContact CB-CE2 3.94Å; I769-Y848 HydrophobicContact CG2-CD2 3.96Å; I769-Y848 HydrophobicContact CG2-CE2 3.65Å; A770-Y848 HydrophobicContact CB-CE1 4.45Å; A770-Y848 HydrophobicContact CB-CE2 4.22Å; A770-Y848 WeakPolarHBondContact CB-OH 3.37Å; L786-Y848 HydrophobicContact CD2-CD2 4.17Å; D844-Y848 WeakPolarHBondContact O-CB 3.45Å; D844-Y848 PolarHBondContact O-N 3.02Å; V845-Y848 WeakPolarHBondContact O-CB 3.35Å; V845-Y848 PolarHBondContact O-N 3.38Å; W846-Y848 PolarHBondContact O-N 2.97Å; Y848-V850 PolarHBondContact O-N 2.92Å; Y848-V851 WeakPolarHBondContact O-CB 3.49Å; Y848-V851 PolarHBondContact O-N 3.36Å; Y848-V851 VanDerWaalsContact O-N 3.1Å; Y848-L852 HydrophobicContact CD1-CD1 4.18Å; Y848-L852 HydrophobicContact CD1-CG 4.16Å; Y848-L852 HydrophobicContact CE1-CD1 3.72Å; Y848-L852 HydrophobicContact CE1-CD2 3.83Å; Y848-L852 HydrophobicContact CE1-CG 3.67Å; Y848-L852 WeakPolarHBondContact O-CG 3.49Å; Y848-L852 PolarHBondContact O-N 3.1Å; Y848-L852 WeakPolarHBondContact OH-CD2 3.32Å; Y848-F909 HydrophobicContact CD1-CE1 4.24Å; Y848-F909 HydrophobicContact CD2-CE1 4.04Å; Y848-F909 AromaticContact CG-CE1 3.7Å; Y848-F909 HydrophobicContact CG-CE1 3.7Å; Y848-I912 HydrophobicContact CD1-CD1 4.19Å; Y848-I912 HydrophobicContact CD1-CG2 3.9Å; Y848-I912 HydrophobicContact CE1-CG2 3.31Å; Y848-L916 HydrophobicContact CE1-CD1 4.15Å; Y848-L916 WeakPolarHBondContact OH-CD1 3.45Å
849G97.8Very high93.8Very high0 Ų011.7 Ų11.70%06%0.059CC..Hα-helixtrans-57.5-39.2170.500000112.4V845 W846 A847 L852 W853 W899V845-G849 PolarHBondContact O-N 3.43Å; W846-G849 PolarHBondContact O-N 3.43Å; W846-G849 VanDerWaalsContact O-N 3.08Å; A847-G849 PolarHBondContact O-N 3.28Å; G849-L852 PolarHBondContact O-N 3.42Å; G849-W853 PolarHBondContact O-N 3.09Å; G849-W853 VanDerWaalsContact O-N 3.15Å; G849-W899 VanDerWaalsContact C-CZ2 3.41Å; G849-W899 VanDerWaalsContact O-CZ2 3.24Å; G849-W899 WeakPolarHBondContact O-CZ2 3.41Å
850V97.7Very high94Very high0 Ų014 Ų140%07%0.072CC..Hα-helixtrans-68.9-38.5173.9-174.10000111.5W828 W846 A847 Y848 L852 W853 E854 P862 L881 W899W828-V850 HydrophobicContact CD2-CG1 4.34Å; W828-V850 HydrophobicContact CG-CB 4.37Å; W828-V850 HydrophobicContact CG-CG1 4.05Å; W846-V850 PolarHBondContact O-N 2.97Å; A847-V850 WeakPolarHBondContact O-CA 3.38Å; A847-V850 WeakPolarHBondContact O-CB 3.33Å; A847-V850 PolarHBondContact O-N 3.45Å; A847-V850 VanDerWaalsContact O-N 3.09Å; Y848-V850 PolarHBondContact O-N 2.92Å; V850-L852 VanDerWaalsContact C-N 3.34Å; V850-L852 PolarHBondContact O-N 3.3Å; V850-W853 WeakPolarHBondContact O-CA 3.33Å; V850-W853 WeakPolarHBondContact O-CB 3.41Å; V850-W853 PolarHBondContact O-N 2.87Å; V850-W853 VanDerWaalsContact O-N 3.12Å; V850-E854 WeakPolarHBondContact O-CG 3.1Å; V850-E854 PolarHBondContact O-N 2.98Å; V850-P862 HydrophobicContact CG1-CB 3.72Å; V850-P862 HydrophobicContact CG1-CG 3.73Å; V850-L881 HydrophobicContact CG1-CD1 4.33Å; V850-W899 HydrophobicContact CG2-CZ2 4.23Å
851V97.6Very high94.1Very high0 Ų014.5 Ų14.50%07%0.072CC..Hα-helixtrans-59.8-42.9173.5168.40000111.8I769 L786 T788 A847 Y848 W853 E854 I855I769-V851 HydrophobicContact CD1-CG1 3.89Å; L786-V851 HydrophobicContact CG-CG2 4.17Å; T788-V851 HydrophobicContact CG2-CG1 4.05Å; A847-V851 PolarHBondContact O-N 3.28Å; Y848-V851 WeakPolarHBondContact O-CB 3.49Å; Y848-V851 PolarHBondContact O-N 3.36Å; Y848-V851 VanDerWaalsContact O-N 3.1Å; V851-W853 VanDerWaalsContact C-N 3.3Å; V851-W853 PolarHBondContact O-N 3.45Å; V851-E854 WeakPolarHBondContact O-CB 3.22Å; V851-E854 PolarHBondContact O-N 3.44Å; V851-I855 HydrophobicContact CG1-CD1 3.83Å; V851-I855 HydrophobicContact CG1-CG1 4.46Å; V851-I855 VanDerWaalsContact O-CG1 3.3Å; V851-I855 WeakPolarHBondContact O-CG1 3.27Å; V851-I855 PolarHBondContact O-N 3.26Å
852L97.8Very high94.1Very high0 Ų013.2 Ų13.20%06%0.064CC..Hα-helixtrans-59.1-43.8173.6-68.4179000111.1S766 Y848 G849 V850 E854 I855 F856 L891 L894 M895 L916S766-L852 VanDerWaalsContact CB-CD2 3.49Å; S766-L852 WeakPolarHBondContact OG-CD2 3.5Å; Y848-L852 HydrophobicContact CD1-CD1 4.18Å; Y848-L852 HydrophobicContact CD1-CG 4.16Å; Y848-L852 HydrophobicContact CE1-CD1 3.72Å; Y848-L852 HydrophobicContact CE1-CD2 3.83Å; Y848-L852 HydrophobicContact CE1-CG 3.67Å; Y848-L852 WeakPolarHBondContact O-CG 3.49Å; Y848-L852 PolarHBondContact O-N 3.1Å; Y848-L852 WeakPolarHBondContact OH-CD2 3.32Å; G849-L852 PolarHBondContact O-N 3.42Å; V850-L852 VanDerWaalsContact C-N 3.34Å; V850-L852 PolarHBondContact O-N 3.3Å; L852-E854 PolarHBondContact O-N 3.38Å; L852-I855 PolarHBondContact O-N 3.16Å; L852-F856 WeakPolarHBondContact O-CD2 3.16Å; L852-F856 PolarHBondContact O-N 3.42Å; L852-F856 VanDerWaalsContact O-N 3.14Å; L852-L891 HydrophobicContact CD1-CD1 4.26Å; L852-L891 HydrophobicContact CD2-CD1 4.44Å; L852-L894 HydrophobicContact CD1-CD2 4.26Å; L852-L894 HydrophobicContact CD1-CG 4.45Å; L852-M895 HydrophobicContact CB-CE 3.81Å; L852-M895 HydrophobicContact CB-CG 3.89Å; L852-M895 HydrophobicContact CB-SD 4.13Å; L852-M895 HydrophobicContact CD1-CG 4.01Å; L852-L916 HydrophobicContact CD2-CD1 4.4Å; L852-L916 HydrophobicContact CD2-CD2 4.45Å
853W97.3Very high93.7Very high16 Ų1610 Ų106%0.0615%0.049CC..Hα-helixtrans-61.4-42.3175.6-173.794.7000112.2G849 V850 V851 F856 S857 M860 P862 L881 S882 P884 M895 W899G849-W853 PolarHBondContact O-N 3.09Å; G849-W853 VanDerWaalsContact O-N 3.15Å; V850-W853 WeakPolarHBondContact O-CA 3.33Å; V850-W853 WeakPolarHBondContact O-CB 3.41Å; V850-W853 PolarHBondContact O-N 2.87Å; V850-W853 VanDerWaalsContact O-N 3.12Å; V851-W853 VanDerWaalsContact C-N 3.3Å; V851-W853 PolarHBondContact O-N 3.45Å; W853-F856 PolarHBondContact O-N 2.89Å; W853-S857 WeakPolarHBondContact O-CB 3.34Å; W853-S857 PolarHBondContact O-N 2.69Å; W853-S857 PolarHBondContact O-OG 3.11Å; W853-M860 HydrophobicContact CH2-CB 4.16Å; W853-M860 HydrophobicContact CH2-CE 4.49Å; W853-M860 HydrophobicContact CZ3-CB 4.21Å; W853-P862 HydrophobicContact CE3-CB 4.06Å; W853-P862 VanDerWaalsContact CZ3-CA 3.44Å; W853-P862 HydrophobicContact CZ3-CB 4.05Å; W853-L881 HydrophobicContact CB-CD1 4.12Å; W853-L881 HydrophobicContact CD2-CD1 3.87Å; W853-L881 HydrophobicContact CD2-CD2 4.47Å; W853-L881 HydrophobicContact CE3-CD1 4.34Å; W853-L881 HydrophobicContact CG-CB 4.25Å; W853-L881 HydrophobicContact CG-CD1 3.74Å; W853-L881 HydrophobicContact CG-CG 4.49Å; W853-L881 HydrophobicContact CZ2-CD2 4.31Å; W853-S882 PolarHBondContact NE1-O 3.33Å; W853-P884 HydrophobicContact CG-CG 4.14Å; W853-M895 HydrophobicContact CB-SD 3.99Å; W853-W899 HydrophobicContact CB-CH2 4.17Å; W853-W899 HydrophobicContact CB-CZ2 4.27Å; W853-W899 HydrophobicContact CG-CH2 4.5Å
854E95.9Very high92.9Very high1 Ų118.6 Ų18.61%0.0058%0.082CC..Hα-helixtrans-61.9-43.5176.6-71-178.489.300112.2N723 T788 W828 V850 V851 L852 F856 S857 H858 G859N723-E854 PolarHBondContact ND2-OE1 3.06Å; T788-E854 HydrophobicContact CG2-CB 3.57Å; T788-E854 HydrophobicContact CG2-CG 4.3Å; T788-E854 PolarHBondContact N-OE2 3.33Å; T788-E854 VanDerWaalsContact OG1-CD 3.28Å; T788-E854 PolarHBondContact OG1-OE1 2.98Å; W828-E854 HydrophobicContact CZ2-CG 4.36Å; W828-E854 WeakPolarHBondContact CZ2-OE1 3.4Å; W828-E854 PolarHBondContact NE1-OE2 3.19Å; V850-E854 WeakPolarHBondContact O-CG 3.1Å; V850-E854 PolarHBondContact O-N 2.98Å; V851-E854 WeakPolarHBondContact O-CB 3.22Å; V851-E854 PolarHBondContact O-N 3.44Å; L852-E854 PolarHBondContact O-N 3.38Å; E854-F856 PolarHBondContact O-N 3.07Å; E854-S857 CarbonylContact O-C 3.47Å; E854-S857 PolarHBondContact O-N 3.2Å; E854-H858 PolarHBondContact O-N 2.79Å; E854-H858 VanDerWaalsContact O-N 3.13Å; E854-G859 PolarHBondContact O-N 3.38Å
855I95.5Very high91.8Very high0 Ų021.7 Ų21.70%012%0.115CC..Hα-helixtrans-60.7-46.3179.3-68.7161.2000110.8L722 L726 Q762 V765 I769 T788 V851 L852 S857 H858L722-I855 HydrophobicContact CD2-CG1 4.49Å; L726-I855 HydrophobicContact CD1-CG1 4.17Å; L726-I855 HydrophobicContact CD2-CG2 4.41Å; Q762-I855 HydrophobicContact CB-CG2 3.82Å; Q762-I855 HydrophobicContact CG-CG2 4.05Å; Q762-I855 PolarHBondContact NE2-O 3.12Å; V765-I855 HydrophobicContact CG1-CD1 3.88Å; V765-I855 HydrophobicContact CG1-CG1 4.21Å; I769-I855 HydrophobicContact CD1-CD1 4.07Å; T788-I855 HydrophobicContact CG2-CG1 4.19Å; V851-I855 HydrophobicContact CG1-CD1 3.83Å; V851-I855 HydrophobicContact CG1-CG1 4.46Å; V851-I855 VanDerWaalsContact O-CG1 3.3Å; V851-I855 WeakPolarHBondContact O-CG1 3.27Å; V851-I855 PolarHBondContact O-N 3.26Å; L852-I855 PolarHBondContact O-N 3.16Å; I855-S857 VanDerWaalsContact C-N 3.3Å; I855-H858 PolarHBondContact O-N 2.81Å
856F94.4Very high90.5Very high5 Ų524.5 Ų24.52%0.02213%0.129CC..Hα-helixtrans-81-11.3-179-77.3-96.6000113.4Q762 L763 L852 W853 E854 P884 C887 L891Q762-F856 HydrophobicContact CB-CD2 4.5Å; Q762-F856 HydrophobicContact CB-CE1 3.98Å; Q762-F856 HydrophobicContact CB-CE2 3.85Å; Q762-F856 HydrophobicContact CB-CZ 3.57Å; L763-F856 HydrophobicContact CD2-CZ 4Å; L763-F856 HydrophobicContact CG-CZ 4.11Å; L852-F856 WeakPolarHBondContact O-CD2 3.16Å; L852-F856 PolarHBondContact O-N 3.42Å; L852-F856 VanDerWaalsContact O-N 3.14Å; W853-F856 PolarHBondContact O-N 2.89Å; E854-F856 PolarHBondContact O-N 3.07Å; F856-P884 HydrophobicContact CB-CB 4.14Å; F856-P884 HydrophobicContact CB-CG 4.06Å; F856-C887 HydrophobicContact CB-CB 4.37Å; F856-C887 HydrophobicContact CD1-CB 4.24Å; F856-L891 HydrophobicContact CD1-CD2 4.01Å; F856-L891 HydrophobicContact CD2-CD2 3.44Å; F856-L891 VanDerWaalsContact CD2-CD2 3.44Å; F856-L891 HydrophobicContact CE1-CD2 3.68Å; F856-L891 HydrophobicContact CE2-CD2 3.09Å; F856-L891 HydrophobicContact CG-CD2 3.89Å; F856-L891 HydrophobicContact CZ-CD2 3.22Å
857S91.5Very high89.1Confident8 Ų825.8 Ų25.86%0.05614%0.143CC..THydrogen-bonded Turntrans-102.317.4170.3-51.60000112.5W853 E854 I855 G859 M860 P884W853-S857 WeakPolarHBondContact O-CB 3.34Å; W853-S857 PolarHBondContact O-N 2.69Å; W853-S857 PolarHBondContact O-OG 3.11Å; E854-S857 CarbonylContact O-C 3.47Å; E854-S857 PolarHBondContact O-N 3.2Å; I855-S857 VanDerWaalsContact C-N 3.3Å; S857-G859 VanDerWaalsContact C-N 3.28Å; S857-G859 PolarHBondContact O-N 3.29Å; S857-M860 WeakPolarHBondContact O-CB 3.48Å; S857-M860 VanDerWaalsContact O-CG 3.3Å; S857-M860 WeakPolarHBondContact O-CG 3.4Å; S857-M860 PolarHBondContact O-N 2.91Å; S857-M860 VanDerWaalsContact O-N 3.12Å; S857-P884 WeakPolarHBondContact OG-CG 3.43Å
858H90.1Very high88Confident31 Ų3127.1 Ų27.114%0.14415%0.149CC..THydrogen-bonded Turntrans51.440.6178.8-57.4-83.4000114.6R727 E854 I855R727-H858 WeakPolarHBondContact CG-O 3.28Å; E854-H858 PolarHBondContact O-N 2.79Å; E854-H858 VanDerWaalsContact O-N 3.13Å; I855-H858 PolarHBondContact O-N 2.81Å
859G86.6Confident86.7Confident0 Ų032.1 Ų32.10%017%0.172CC..THydrogen-bonded Turntrans7915.5176.700000114.7N723 R727 E854 S857N723-G859 PolarHBondContact ND2-O 2.79Å; R727-G859 PolarHBondContact NE-O 3.41Å; R727-G859 PolarHBondContact NH2-O 2.92Å; E854-G859 PolarHBondContact O-N 3.38Å; S857-G859 VanDerWaalsContact C-N 3.28Å; S857-G859 PolarHBondContact O-N 3.29Å
860M86.4Confident85.4Confident82 Ų8234.9 Ų34.940%0.40419%0.185SC..PPolyproline II helixtrans-57.9150.9168.8-77.4-156.3-6400111.5W853 S857W853-M860 HydrophobicContact CH2-CB 4.16Å; W853-M860 HydrophobicContact CH2-CE 4.49Å; W853-M860 HydrophobicContact CZ3-CB 4.21Å; S857-M860 WeakPolarHBondContact O-CB 3.48Å; S857-M860 VanDerWaalsContact O-CG 3.3Å; S857-M860 WeakPolarHBondContact O-CG 3.4Å; S857-M860 PolarHBondContact O-N 2.91Å; S857-M860 VanDerWaalsContact O-N 3.12Å
861Q87.1Confident84.3Confident39 Ų3934.9 Ų34.918%0.18219%0.185CC..PPolyproline II helixtrans-70.9128.8175.4-174.1-179.863.800109.6A813 D814 Y864A813-Q861 PolarHBondContact O-NE2 2.75Å; D814-Q861 PolarHBondContact OD1-NE2 3.36Å; Q861-Y864 HydrophobicContact CB-CD2 4.5Å; Q861-Y864 WeakPolarHBondContact O-CB 3.26Å; Q861-Y864 PolarHBondContact O-N 3.48Å
862P88.5Confident83.2Confident0 Ų035 Ų350%019%0.186CC..THydrogen-bonded Turntrans-61.8141.1175.523.5-32.4000111.2R827 W828 V850 W853 Y864 L881R827-P862 HydrophobicContact CB-CG 3.87Å; R827-P862 WeakPolarHBondContact CD-O 3.44Å; R827-P862 PolarHBondContact NH1-O 3.13Å; W828-P862 HydrophobicContact CD2-CG 4.36Å; W828-P862 HydrophobicContact CE3-CG 4.48Å; W828-P862 HydrophobicContact CH2-CG 3.6Å; W828-P862 HydrophobicContact CZ2-CG 3.48Å; W828-P862 VanDerWaalsContact CZ2-CG 3.48Å; W828-P862 HydrophobicContact CZ3-CG 4.12Å; V850-P862 HydrophobicContact CG1-CB 3.72Å; V850-P862 HydrophobicContact CG1-CG 3.73Å; W853-P862 HydrophobicContact CE3-CB 4.06Å; W853-P862 VanDerWaalsContact CZ3-CA 3.44Å; W853-P862 HydrophobicContact CZ3-CB 4.05Å; P862-Y864 VanDerWaalsContact C-N 3.25Å; P862-Y864 PolarHBondContact O-N 2.63Å; P862-L881 HydrophobicContact CB-CD1 3.93Å; P862-L881 HydrophobicContact CB-CD2 4.28Å
863Y85.8Confident81.9Confident10 Ų1036.6 Ų36.64%0.03919%0.192CC..THydrogen-bonded Turntrans56.341-173.3-45.7-85.8000112R827 G865 M866 V871 Y874 V875 L881R827-Y863 HydrophobicContact CB-CD2 4.14Å; R827-Y863 HydrophobicContact CB-CE2 4.49Å; R827-Y863 HydrophobicContact CG-CD2 4.41Å; R827-Y863 PolarHBondContact NH1-O 3.01Å; Y863-G865 PolarHBondContact O-N 3.43Å; Y863-M866 HydrophobicContact CD1-SD 4.41Å; Y863-M866 WeakPolarHBondContact O-CB 3.38Å; Y863-M866 PolarHBondContact O-N 2.62Å; Y863-V871 VanDerWaalsContact CB-CG2 3.49Å; Y863-V871 HydrophobicContact CD1-CG1 4.36Å; Y863-V871 HydrophobicContact CD2-CB 4.48Å; Y863-V871 HydrophobicContact CD2-CG1 3.53Å; Y863-V871 HydrophobicContact CD2-CG2 4.07Å; Y863-V871 HydrophobicContact CE2-CG1 3.74Å; Y863-V871 HydrophobicContact CG-CB 4.47Å; Y863-V871 HydrophobicContact CG-CG1 3.88Å; Y863-V871 HydrophobicContact CG-CG2 3.82Å; Y863-Y874 AromaticContact CD1-CD1 3.92Å; Y863-Y874 HydrophobicContact CD1-CD1 3.92Å; Y863-Y874 HydrophobicContact CD1-CE1 4.18Å; Y863-Y874 AromaticContact CE1-CD1 3.69Å; Y863-Y874 HydrophobicContact CE1-CD1 3.69Å; Y863-Y874 AromaticContact CE1-CE1 3.95Å; Y863-Y874 HydrophobicContact CE1-CE1 3.95Å; Y863-V875 HydrophobicContact CE1-CG2 4.43Å; Y863-L881 HydrophobicContact CD1-CD2 3.5Å; Y863-L881 VanDerWaalsContact CD1-CD2 3.5Å; Y863-L881 HydrophobicContact CD1-CG 4.14Å; Y863-L881 HydrophobicContact CD2-CD2 3.94Å; Y863-L881 HydrophobicContact CD2-CG 4.47Å; Y863-L881 HydrophobicContact CE1-CD2 3.57Å; Y863-L881 HydrophobicContact CE1-CG 3.66Å; Y863-L881 HydrophobicContact CE2-CD1 4.14Å; Y863-L881 HydrophobicContact CE2-CD2 4.01Å; Y863-L881 HydrophobicContact CE2-CG 4.04Å; Y863-L881 HydrophobicContact CG-CD2 3.68Å; Y863-L881 VanDerWaalsContact N-CD2 3.3Å
864Y76.3Confident81Confident182 Ų18239.4 Ų39.471%0.71420%0.203SC*.THydrogen-bonded Turntrans-51.7134.7178.4-178.4-99.4000111.1Q861 P862 M866Q861-Y864 HydrophobicContact CB-CD2 4.5Å; Q861-Y864 WeakPolarHBondContact O-CB 3.26Å; Q861-Y864 PolarHBondContact O-N 3.48Å; P862-Y864 VanDerWaalsContact C-N 3.25Å; P862-Y864 PolarHBondContact O-N 2.63Å; Y864-M866 VanDerWaalsContact C-N 3.32Å
865G69.9Low80.2Confident68 Ų6839.7 Ų39.770%0.70121%0.205SC*.THydrogen-bonded Turntrans89.5-16.7-177.100000114.9Y863Y863-G865 PolarHBondContact O-N 3.43Å
866M70.6Confident79.3Confident62 Ų6244.8 Ų44.831%0.30522%0.224SC..SBendtrans-92.5143.6174-62.1-178.2-173.500111.4R827 Y863 Y864 E870 V871 Y874R827-M866 PolarHBondContact NH1-O 2.96Å; R827-M866 PolarHBondContact NH2-O 3.02Å; Y863-M866 HydrophobicContact CD1-SD 4.41Å; Y863-M866 WeakPolarHBondContact O-CB 3.38Å; Y863-M866 PolarHBondContact O-N 2.62Å; Y864-M866 VanDerWaalsContact C-N 3.32Å; M866-E870 VanDerWaalsContact CA-OE2 3.23Å; M866-E870 WeakPolarHBondContact CA-OE2 3.06Å; M866-E870 HydrophobicContact CB-CB 4.09Å; M866-V871 HydrophobicContact CB-CG2 3.9Å; M866-Y874 HydrophobicContact CE-CD2 3.95Å; M866-Y874 HydrophobicContact CE-CE2 3.92Å; M866-Y874 HydrophobicContact CE-CG 4.38Å; M866-Y874 HydrophobicContact SD-CD2 4.32Å; M866-Y874 HydrophobicContact SD-CG 4.25Å
867G69.7Low78.5Confident32 Ų3248.7 Ų48.733%0.3325%0.245SC..  trans-72.7157.1165.500000112.2E869 E870 V871G867-E869 PolarHBondContact O-N 2.87Å; G867-E869 VanDerWaalsContact O-N 3.15Å; G867-E870 PolarHBondContact N-OE2 2.93Å; G867-E870 WeakPolarHBondContact O-CB 3.46Å; G867-E870 PolarHBondContact O-N 2.96Å; G867-V871 WeakPolarHBondContact O-CG2 3.33Å; G867-V871 PolarHBondContact O-N 2.98Å
868H73.1Confident77.9Confident34 Ų3450.5 Ų50.516%0.15727%0.265CS..Hα-helixtrans-53.5-37.5179-65.899.1000113.1A813 Y816 V871 I872A813-H868 PolarHBondContact O-CE1 3.13Å; A813-H868 PolarHBondContact O-NE2 3.26Å; Y816-H868 HydrophobicContact CD2-CB 3.92Å; H868-V871 PolarHBondContact O-N 2.83Å; H868-I872 WeakPolarHBondContact O-CD1 3.24Å; H868-I872 VanDerWaalsContact O-CG1 3.32Å; H868-I872 WeakPolarHBondContact O-CG1 3.42Å; H868-I872 PolarHBondContact O-N 2.7Å
869E71.2Confident77.7Confident105 Ų10553.4 Ų53.449%0.49128%0.278SS..Hα-helixtrans-55.7-60171.9-82.6180-153.600110.5L598 G867 V871 I872 Y873L598-E869 VanDerWaalsContact CD1-CA 3.41Å; L598-E869 HydrophobicContact CD1-CB 3.39Å; L598-E869 HydrophobicContact CD1-CG 4.04Å; L598-E869 WeakPolarHBondContact CD1-O 3.49Å; L598-E869 VanDerWaalsContact CD2-O 3.25Å; L598-E869 WeakPolarHBondContact CD2-O 3.28Å; G867-E869 PolarHBondContact O-N 2.87Å; G867-E869 VanDerWaalsContact O-N 3.15Å; E869-V871 PolarHBondContact O-N 3.21Å; E869-V871 VanDerWaalsContact O-N 3.16Å; E869-I872 WeakPolarHBondContact O-CB 3.32Å; E869-I872 PolarHBondContact O-N 3.3Å; E869-Y873 PolarHBondContact O-N 3.14Å
870E70Confident77.9Confident57 Ų5755.3 Ų55.327%0.26629%0.288SS..Hα-helixtrans-55.3-38.2-179-54.2-179.1128.100112.5L595 M866 G867 I872 Y873 Y874L595-E870 HydrophobicContact CB-CG 4.36Å; L595-E870 WeakPolarHBondContact CB-OE1 3.42Å; L595-E870 HydrophobicContact CD2-CB 3.62Å; L595-E870 HydrophobicContact CD2-CG 3.44Å; L595-E870 VanDerWaalsContact CD2-CG 3.44Å; L595-E870 WeakPolarHBondContact CD2-OE1 3.34Å; L595-E870 HydrophobicContact CG-CG 4.5Å; M866-E870 VanDerWaalsContact CA-OE2 3.23Å; M866-E870 WeakPolarHBondContact CA-OE2 3.06Å; M866-E870 HydrophobicContact CB-CB 4.09Å; G867-E870 PolarHBondContact N-OE2 2.93Å; G867-E870 WeakPolarHBondContact O-CB 3.46Å; G867-E870 PolarHBondContact O-N 2.96Å; E870-I872 PolarHBondContact O-N 2.04Å; E870-Y873 PolarHBondContact O-N 3.42Å; E870-Y874 VanDerWaalsContact O-CB 3.32Å; E870-Y874 WeakPolarHBondContact O-CB 3.46Å; E870-Y874 PolarHBondContact O-N 2.89Å
871V75.4Confident78.2Confident0 Ų051.7 Ų51.70%027%0.27CS..Hα-helixtrans-60.9-43.9175.9177.70000112.1I826 R827 Y863 M866 G867 H868 E869 Y873 Y874 V875I826-V871 HydrophobicContact CG2-CG1 4.49Å; R827-V871 HydrophobicContact CG-CG1 4.41Å; R827-V871 HydrophobicContact CG-CG2 4.39Å; Y863-V871 VanDerWaalsContact CB-CG2 3.49Å; Y863-V871 HydrophobicContact CD1-CG1 4.36Å; Y863-V871 HydrophobicContact CD2-CB 4.48Å; Y863-V871 HydrophobicContact CD2-CG1 3.53Å; Y863-V871 HydrophobicContact CD2-CG2 4.07Å; Y863-V871 HydrophobicContact CE2-CG1 3.74Å; Y863-V871 HydrophobicContact CG-CB 4.47Å; Y863-V871 HydrophobicContact CG-CG1 3.88Å; Y863-V871 HydrophobicContact CG-CG2 3.82Å; M866-V871 HydrophobicContact CB-CG2 3.9Å; G867-V871 WeakPolarHBondContact O-CG2 3.33Å; G867-V871 PolarHBondContact O-N 2.98Å; H868-V871 PolarHBondContact O-N 2.83Å; E869-V871 PolarHBondContact O-N 3.21Å; E869-V871 VanDerWaalsContact O-N 3.16Å; V871-Y873 VanDerWaalsContact C-N 3.26Å; V871-Y873 PolarHBondContact O-N 3.15Å; V871-Y874 PolarHBondContact O-N 2.89Å; V871-V875 HydrophobicContact CG1-CG2 4.23Å; V871-V875 WeakPolarHBondContact O-CB 3.47Å; V871-V875 WeakPolarHBondContact O-CG2 3.29Å; V871-V875 PolarHBondContact O-N 2.58Å
872I74.9Confident78.3Confident4 Ų454 Ų542%0.02129%0.29CS..Hα-helixtrans-60.1-40.9179-68.7155.2000110.3L598 L602 I826 I834 F835 H868 E869 E870 R876L598-I872 HydrophobicContact CD2-CB 3.21Å; L598-I872 HydrophobicContact CD2-CD1 4.12Å; L598-I872 HydrophobicContact CD2-CG1 4.26Å; L598-I872 HydrophobicContact CD2-CG2 3.04Å; L602-I872 HydrophobicContact CD1-CG2 3.33Å; L602-I872 HydrophobicContact CD2-CD1 3.6Å; L602-I872 HydrophobicContact CD2-CG1 4.14Å; L602-I872 HydrophobicContact CD2-CG2 4.18Å; L602-I872 HydrophobicContact CG-CG2 4.34Å; I826-I872 HydrophobicContact CD1-CD1 4.19Å; I826-I872 HydrophobicContact CD1-CG1 4.27Å; I826-I872 HydrophobicContact CG1-CD1 4.46Å; I826-I872 HydrophobicContact CG2-CD1 4.01Å; I826-I872 HydrophobicContact CG2-CG1 3.47Å; I826-I872 VanDerWaalsContact CG2-CG1 3.47Å; I834-I872 HydrophobicContact CG2-CG1 4.3Å; I834-I872 HydrophobicContact CG2-CG2 3.94Å; F835-I872 HydrophobicContact CE1-CG2 3.8Å; F835-I872 HydrophobicContact CZ-CG2 3.74Å; H868-I872 WeakPolarHBondContact O-CD1 3.24Å; H868-I872 VanDerWaalsContact O-CG1 3.32Å; H868-I872 WeakPolarHBondContact O-CG1 3.42Å; H868-I872 PolarHBondContact O-N 2.7Å; E869-I872 WeakPolarHBondContact O-CB 3.32Å; E869-I872 PolarHBondContact O-N 3.3Å; E870-I872 PolarHBondContact O-N 2.04Å; I872-R876 VanDerWaalsContact O-CB 3.28Å; I872-R876 WeakPolarHBondContact O-CB 3.45Å; I872-R876 PolarHBondContact O-N 3.05Å
873Y69.6Low78.5Confident32 Ų3256.4 Ų56.413%0.12531%0.307CS..Hα-helixtrans-67.1-46.8176.7-93.9-47000112.2S596 A597 L598 P599 E869 E870 V871 V875 R876 D877S596-Y873 WeakPolarHBondContact O-CE2 3.18Å; A597-Y873 VanDerWaalsContact C-CZ 3.47Å; A597-Y873 PolarHBondContact O-OH 3.3Å; L598-Y873 VanDerWaalsContact C-CZ 3.41Å; L598-Y873 VanDerWaalsContact CA-CZ 3.45Å; L598-Y873 VanDerWaalsContact CA-OH 3.25Å; L598-Y873 WeakPolarHBondContact CA-OH 3.48Å; L598-Y873 HydrophobicContact CB-CD2 4.4Å; L598-Y873 HydrophobicContact CB-CE2 3.95Å; L598-Y873 HydrophobicContact CD1-CD2 3.2Å; L598-Y873 HydrophobicContact CD1-CE2 3.41Å; L598-Y873 VanDerWaalsContact CD1-CE2 3.41Å; L598-Y873 HydrophobicContact CD1-CG 3.95Å; L598-Y873 HydrophobicContact CD2-CD1 4.27Å; L598-Y873 HydrophobicContact CD2-CD2 4.01Å; L598-Y873 HydrophobicContact CD2-CE2 4.34Å; L598-Y873 HydrophobicContact CD2-CG 3.92Å; L598-Y873 HydrophobicContact CG-CD1 4.05Å; L598-Y873 HydrophobicContact CG-CD2 3.24Å; L598-Y873 HydrophobicContact CG-CE1 4.06Å; L598-Y873 HydrophobicContact CG-CE2 3.22Å; L598-Y873 HydrophobicContact CG-CG 3.63Å; L598-Y873 VanDerWaalsContact N-CZ 3.28Å; L598-Y873 PolarHBondContact N-OH 2.83Å; L598-Y873 VanDerWaalsContact N-OH 3.14Å; L598-Y873 PolarHBondContact O-OH 2.95Å; P599-Y873 HydrophobicContact CB-CE1 3.92Å; P599-Y873 WeakPolarHBondContact CD-OH 3.04Å; P599-Y873 HydrophobicContact CG-CD1 3.89Å; P599-Y873 HydrophobicContact CG-CE1 3.34Å; P599-Y873 VanDerWaalsContact N-CZ 3.31Å; E869-Y873 PolarHBondContact O-N 3.14Å; E870-Y873 PolarHBondContact O-N 3.42Å; V871-Y873 VanDerWaalsContact C-N 3.26Å; V871-Y873 PolarHBondContact O-N 3.15Å; Y873-V875 VanDerWaalsContact C-N 3.27Å; Y873-V875 PolarHBondContact O-N 3.44Å; Y873-R876 VanDerWaalsContact CD1-NH2 3.31Å; Y873-R876 VanDerWaalsContact CE1-CZ 3.47Å; Y873-R876 VanDerWaalsContact CE1-NH2 3.3Å; Y873-R876 WeakPolarHBondContact O-CB 3.3Å; Y873-R876 PolarHBondContact O-N 3.02Å; Y873-R876 VanDerWaalsContact O-N 3.13Å; Y873-D877 WeakPolarHBondContact O-CB 3.15Å; Y873-D877 VanDerWaalsContact O-CG 3.27Å; Y873-D877 PolarHBondContact O-N 3.27Å
874Y77.7Confident78.6Confident75 Ų7556.6 Ų56.629%0.29431%0.309SS..Hα-helixtrans-54.8-47.9-179.9-166.6-99000110.3Y863 M866 E870 V871 D877 H879 I880Y863-Y874 AromaticContact CD1-CD1 3.92Å; Y863-Y874 HydrophobicContact CD1-CD1 3.92Å; Y863-Y874 HydrophobicContact CD1-CE1 4.18Å; Y863-Y874 AromaticContact CE1-CD1 3.69Å; Y863-Y874 HydrophobicContact CE1-CD1 3.69Å; Y863-Y874 AromaticContact CE1-CE1 3.95Å; Y863-Y874 HydrophobicContact CE1-CE1 3.95Å; M866-Y874 HydrophobicContact CE-CD2 3.95Å; M866-Y874 HydrophobicContact CE-CE2 3.92Å; M866-Y874 HydrophobicContact CE-CG 4.38Å; M866-Y874 HydrophobicContact SD-CD2 4.32Å; M866-Y874 HydrophobicContact SD-CG 4.25Å; E870-Y874 VanDerWaalsContact O-CB 3.32Å; E870-Y874 WeakPolarHBondContact O-CB 3.46Å; E870-Y874 PolarHBondContact O-N 2.89Å; V871-Y874 PolarHBondContact O-N 2.89Å; Y874-D877 PolarHBondContact O-N 3.29Å; Y874-H879 HydrophobicContact CD1-CB 3.52Å; Y874-H879 HydrophobicContact CD2-CB 3.88Å; Y874-H879 HydrophobicContact CE1-CB 3.3Å; Y874-H879 HydrophobicContact CE2-CB 3.67Å; Y874-H879 AromaticContact CE2-CG 3.93Å; Y874-H879 HydrophobicContact CG-CB 3.8Å; Y874-H879 WeakPolarHBondContact O-CA 3.42Å; Y874-H879 VanDerWaalsContact O-CB 3.23Å; Y874-H879 WeakPolarHBondContact O-CB 3.41Å; Y874-H879 PolarHBondContact O-N 3.46Å; Y874-H879 PolarHBondContact O-ND1 3.23Å; Y874-I880 WeakPolarHBondContact CE1-O 3.28Å; Y874-I880 PolarHBondContact OH-O 3.21Å
875V79.9Confident78.9Confident8 Ų856.3 Ų56.35%0.04831%0.314CS..Hα-helixtrans-67.6-41.6175.7174.30000112.3P831 W846 Y863 V871 Y873 D877 G878P831-V875 HydrophobicContact CB-CG1 4.48Å; W846-V875 HydrophobicContact CH2-CG1 3.93Å; W846-V875 HydrophobicContact CZ2-CG1 3.65Å; W846-V875 HydrophobicContact CZ2-CG2 4.47Å; Y863-V875 HydrophobicContact CE1-CG2 4.43Å; V871-V875 HydrophobicContact CG1-CG2 4.23Å; V871-V875 WeakPolarHBondContact O-CB 3.47Å; V871-V875 WeakPolarHBondContact O-CG2 3.29Å; V871-V875 PolarHBondContact O-N 2.58Å; Y873-V875 VanDerWaalsContact C-N 3.27Å; Y873-V875 PolarHBondContact O-N 3.44Å; V875-D877 VanDerWaalsContact C-N 3.26Å; V875-D877 PolarHBondContact O-N 3.13Å; V875-G878 PolarHBondContact O-N 2.97Å; V875-G878 VanDerWaalsContact O-N 3.09Å
876R76.5Confident79.4Confident106 Ų10660.5 Ų60.540%0.432%0.321SS..Hα-helixtrans-56.7-42.2177.3-169.3-168.763.3164.1-7.1112F835 I872 Y873 G878F835-R876 HydrophobicContact CE1-CB 4.38Å; F835-R876 HydrophobicContact CE1-CG 4.21Å; F835-R876 HydrophobicContact CE2-CB 4.04Å; F835-R876 HydrophobicContact CE2-CG 4.12Å; F835-R876 HydrophobicContact CZ-CB 3.57Å; F835-R876 HydrophobicContact CZ-CG 3.74Å; I872-R876 VanDerWaalsContact O-CB 3.28Å; I872-R876 WeakPolarHBondContact O-CB 3.45Å; I872-R876 PolarHBondContact O-N 3.05Å; Y873-R876 VanDerWaalsContact CD1-NH2 3.31Å; Y873-R876 VanDerWaalsContact CE1-CZ 3.47Å; Y873-R876 VanDerWaalsContact CE1-NH2 3.3Å; Y873-R876 WeakPolarHBondContact O-CB 3.3Å; Y873-R876 PolarHBondContact O-N 3.02Å; Y873-R876 VanDerWaalsContact O-N 3.13Å; R876-G878 PolarHBondContact O-N 2.97Å
877D77.1Confident80.3Confident88 Ų8858.2 Ų58.247%0.47131%0.311SS..THydrogen-bonded Turntrans-80.77.8-175.7-61.9-5.5000111.7Y873 Y874 V875Y873-D877 WeakPolarHBondContact O-CB 3.15Å; Y873-D877 VanDerWaalsContact O-CG 3.27Å; Y873-D877 PolarHBondContact O-N 3.27Å; Y874-D877 PolarHBondContact O-N 3.29Å; V875-D877 VanDerWaalsContact C-N 3.26Å; V875-D877 PolarHBondContact O-N 3.13Å
878G79.4Confident81.3Confident45 Ų4558.6 Ų58.646%0.46431%0.308SS..THydrogen-bonded Turntrans84.88.5175.100000114.5V875 R876V875-G878 PolarHBondContact O-N 2.97Å; V875-G878 VanDerWaalsContact O-N 3.09Å; R876-G878 PolarHBondContact O-N 2.97Å
879H86.7Confident82.1Confident92 Ų9262.8 Ų62.843%0.42633%0.33SS..  trans-80.1149176.5-51.686000111.2Y874Y874-H879 HydrophobicContact CD1-CB 3.52Å; Y874-H879 HydrophobicContact CD2-CB 3.88Å; Y874-H879 HydrophobicContact CE1-CB 3.3Å; Y874-H879 HydrophobicContact CE2-CB 3.67Å; Y874-H879 AromaticContact CE2-CG 3.93Å; Y874-H879 HydrophobicContact CG-CB 3.8Å; Y874-H879 WeakPolarHBondContact O-CA 3.42Å; Y874-H879 VanDerWaalsContact O-CB 3.23Å; Y874-H879 WeakPolarHBondContact O-CB 3.41Å; Y874-H879 PolarHBondContact O-N 3.46Å; Y874-H879 PolarHBondContact O-ND1 3.23Å
880I91.1Very high83.1Confident40 Ų4062.7 Ų62.721%0.20533%0.33CS..  trans-130.4167.5-177.457.9172.5000110.4Y874 R896 W899Y874-I880 WeakPolarHBondContact CE1-O 3.28Å; Y874-I880 PolarHBondContact OH-O 3.21Å; I880-R896 HydrophobicContact CD1-CB 4.49Å; I880-R896 HydrophobicContact CD1-CG 3.75Å; I880-W899 HydrophobicContact CB-CE3 3.86Å; I880-W899 HydrophobicContact CB-CZ3 4.43Å; I880-W899 HydrophobicContact CD1-CE3 4.12Å; I880-W899 HydrophobicContact CG1-CE3 4.49Å; I880-W899 HydrophobicContact CG2-CB 3.85Å; I880-W899 HydrophobicContact CG2-CE3 4.24Å; I880-W899 HydrophobicContact CG2-CG 4.44Å
881L91.2Very high84.3Confident7 Ų760 Ų604%0.03732%0.317CS..PPolyproline II helixtrans-61.9142176.4-69.8162.5000111.2V850 W853 P862 Y863 Y892 W899V850-L881 HydrophobicContact CG1-CD1 4.33Å; W853-L881 HydrophobicContact CB-CD1 4.12Å; W853-L881 HydrophobicContact CD2-CD1 3.87Å; W853-L881 HydrophobicContact CD2-CD2 4.47Å; W853-L881 HydrophobicContact CE3-CD1 4.34Å; W853-L881 HydrophobicContact CG-CB 4.25Å; W853-L881 HydrophobicContact CG-CD1 3.74Å; W853-L881 HydrophobicContact CG-CG 4.49Å; W853-L881 HydrophobicContact CZ2-CD2 4.31Å; P862-L881 HydrophobicContact CB-CD1 3.93Å; P862-L881 HydrophobicContact CB-CD2 4.28Å; Y863-L881 HydrophobicContact CD1-CD2 3.5Å; Y863-L881 VanDerWaalsContact CD1-CD2 3.5Å; Y863-L881 HydrophobicContact CD1-CG 4.14Å; Y863-L881 HydrophobicContact CD2-CD2 3.94Å; Y863-L881 HydrophobicContact CD2-CG 4.47Å; Y863-L881 HydrophobicContact CE1-CD2 3.57Å; Y863-L881 HydrophobicContact CE1-CG 3.66Å; Y863-L881 HydrophobicContact CE2-CD1 4.14Å; Y863-L881 HydrophobicContact CE2-CD2 4.01Å; Y863-L881 HydrophobicContact CE2-CG 4.04Å; Y863-L881 HydrophobicContact CG-CD2 3.68Å; Y863-L881 VanDerWaalsContact N-CD2 3.3Å; L881-Y892 WeakPolarHBondContact O-CE2 3.48Å; L881-Y892 PolarHBondContact O-OH 2.94Å; L881-W899 HydrophobicContact CB-CH2 3.74Å; L881-W899 HydrophobicContact CB-CZ2 4.4Å; L881-W899 HydrophobicContact CB-CZ3 4.09Å; L881-W899 HydrophobicContact CD1-CH2 4Å; L881-W899 HydrophobicContact CD1-CZ2 3.86Å; L881-W899 HydrophobicContact CG-CH2 4.39Å
882S90.7Very high85.3Confident86 Ų8661.6 Ų61.660%0.60132%0.324SS*.PPolyproline II helixtrans-66.9156.4172.255.70000111.4W853 P884W853-S882 PolarHBondContact NE1-O 3.33Å; S882-P884 WeakPolarHBondContact O-CD 3.38Å
883C90.7Very high86.2Confident52 Ų5264.6 Ų64.635%0.35134%0.34SS..PPolyproline II helixtrans-60.1127.1173.5-171.20000110Y892C883-Y892 VanDerWaalsContact CA-CE2 3.44Å; C883-Y892 HydrophobicContact CB-CD1 3.83Å; C883-Y892 HydrophobicContact CB-CD2 3.8Å; C883-Y892 HydrophobicContact CB-CE1 3.93Å; C883-Y892 HydrophobicContact CB-CE2 3.91Å; C883-Y892 HydrophobicContact CB-CG 3.76Å
884P89.8Confident87.4Confident13 Ų1363.3 Ų63.38%0.08434%0.335CS..PPolyproline II helixtrans-60.1154.2171.4-20.831.7000111.8W853 F856 S857 S882 C887W853-P884 HydrophobicContact CG-CG 4.14Å; F856-P884 HydrophobicContact CB-CB 4.14Å; F856-P884 HydrophobicContact CB-CG 4.06Å; S857-P884 WeakPolarHBondContact OG-CG 3.43Å; S882-P884 WeakPolarHBondContact O-CD 3.38Å; P884-C887 HydrophobicContact CB-CB 3.99Å; P884-C887 HydrophobicContact CG-CB 4.22Å; P884-C887 VanDerWaalsContact O-CB 3.3Å; P884-C887 WeakPolarHBondContact O-CB 3.41Å; P884-C887 PolarHBondContact O-N 2.87Å
885E82.6Confident88.4Confident176 Ų17659.8 Ų59.882%0.82232%0.321SS*.THydrogen-bonded Turntrans-60.2141.6170.3-64.8-177.4174.200109.6C887E885-C887 PolarHBondContact O-N 3.12Å
886D80.4Confident89.1Confident156 Ų15665.8 Ų65.883%0.83434%0.343SS*.THydrogen-bonded Turntrans5912.3-178-53.6-40.7000116.2
887C89.6Confident90.1Very high15 Ų1565 Ų6510%0.10135%0.346CS..  trans-78.8128.5174.2178.70000111.5F856 P884 E885 L889F856-C887 HydrophobicContact CB-CB 4.37Å; F856-C887 HydrophobicContact CD1-CB 4.24Å; P884-C887 HydrophobicContact CB-CB 3.99Å; P884-C887 HydrophobicContact CG-CB 4.22Å; P884-C887 VanDerWaalsContact O-CB 3.3Å; P884-C887 WeakPolarHBondContact O-CB 3.41Å; P884-C887 PolarHBondContact O-N 2.87Å; E885-C887 PolarHBondContact O-N 3.12Å; C887-L889 PolarHBondContact O-N 3.48Å
888P90.7Very high91.1Very high40 Ų4060.8 Ų60.826%0.2632%0.324SS..  trans-57.9135.4172.9-23.533.2000111.9E890 L891 Y892 M919P888-E890 VanDerWaalsContact C-N 3.26Å; P888-E890 PolarHBondContact O-N 3.47Å; P888-L891 HydrophobicContact CB-CB 4.26Å; P888-L891 WeakPolarHBondContact O-CA 3.19Å; P888-L891 WeakPolarHBondContact O-CB 3.43Å; P888-L891 PolarHBondContact O-N 3.37Å; P888-Y892 PolarHBondContact O-N 3.44Å; P888-M919 HydrophobicContact CB-CE 4.37Å
889L89.6Confident91.9Very high121 Ų12159 Ų5963%0.63430%0.303SS*.Hα-helixtrans-61.4-35.6-178.7-173.564.8000112.4C887 L891 Y892 N893C887-L889 PolarHBondContact O-N 3.48Å; L889-L891 VanDerWaalsContact C-N 3.25Å; L889-L891 PolarHBondContact O-N 3.08Å; L889-Y892 PolarHBondContact O-N 3.02Å; L889-N893 WeakPolarHBondContact O-CB 3.42Å; L889-N893 VanDerWaalsContact O-CG 3.31Å; L889-N893 PolarHBondContact O-N 2.77Å; L889-N893 PolarHBondContact O-ND2 2.93Å
890E92.3Very high92.2Very high104 Ų10455.9 Ų55.949%0.48629%0.292SS..Hα-helixtrans-58.8-39174.1-172.8177.8-166.300111.4P888 N893 L894 M919P888-E890 VanDerWaalsContact C-N 3.26Å; P888-E890 PolarHBondContact O-N 3.47Å; E890-N893 PolarHBondContact O-N 3.5Å; E890-L894 PolarHBondContact O-N 3.33Å; E890-L894 VanDerWaalsContact O-N 3.13Å; E890-M919 HydrophobicContact CB-CE 3.81Å; E890-M919 HydrophobicContact CB-SD 4.5Å; E890-M919 HydrophobicContact CG-CE 3.94Å; E890-M919 HydrophobicContact CG-CG 4.48Å; E890-M919 HydrophobicContact CG-SD 4Å
891L94.3Very high92.1Very high0 Ų058.3 Ų58.30%031%0.309CS..Hα-helixtrans-72.1-42.4178-174.468000110.8L763 L852 F856 P888 L889 N893 L894 M895 L916 M919L763-L891 HydrophobicContact CD2-CD1 4.27Å; L763-L891 HydrophobicContact CD2-CD2 4.29Å; L852-L891 HydrophobicContact CD1-CD1 4.26Å; L852-L891 HydrophobicContact CD2-CD1 4.44Å; F856-L891 HydrophobicContact CD1-CD2 4.01Å; F856-L891 HydrophobicContact CD2-CD2 3.44Å; F856-L891 VanDerWaalsContact CD2-CD2 3.44Å; F856-L891 HydrophobicContact CE1-CD2 3.68Å; F856-L891 HydrophobicContact CE2-CD2 3.09Å; F856-L891 HydrophobicContact CG-CD2 3.89Å; F856-L891 HydrophobicContact CZ-CD2 3.22Å; P888-L891 HydrophobicContact CB-CB 4.26Å; P888-L891 WeakPolarHBondContact O-CA 3.19Å; P888-L891 WeakPolarHBondContact O-CB 3.43Å; P888-L891 PolarHBondContact O-N 3.37Å; L889-L891 VanDerWaalsContact C-N 3.25Å; L889-L891 PolarHBondContact O-N 3.08Å; L891-N893 VanDerWaalsContact C-N 3.27Å; L891-N893 PolarHBondContact O-N 2.85Å; L891-L894 HydrophobicContact CD1-CD2 4.25Å; L891-L894 WeakPolarHBondContact O-CA 3.14Å; L891-L894 VanDerWaalsContact O-CB 3.28Å; L891-L894 WeakPolarHBondContact O-CB 3.45Å; L891-L894 PolarHBondContact O-N 2.91Å; L891-M895 HydrophobicContact CD2-CE 3.93Å; L891-M895 HydrophobicContact CG-CE 3.93Å; L891-M895 WeakPolarHBondContact O-CG 3.33Å; L891-M895 PolarHBondContact O-N 3.41Å; L891-L916 HydrophobicContact CD1-CD2 3.46Å; L891-L916 VanDerWaalsContact CD1-CD2 3.46Å; L891-M919 HydrophobicContact CB-CE 3.72Å; L891-M919 HydrophobicContact CD1-CE 4.42Å; L891-M919 HydrophobicContact CD1-SD 4.32Å
892Y95.8Very high91.9Very high33 Ų3363.6 Ų63.613%0.12933%0.333CS..Hα-helixtrans-62.8-36.9176.6-175.6-116000111.6L881 C883 P888 L889 L894 M895 R896 W899L881-Y892 WeakPolarHBondContact O-CE2 3.48Å; L881-Y892 PolarHBondContact O-OH 2.94Å; C883-Y892 VanDerWaalsContact CA-CE2 3.44Å; C883-Y892 HydrophobicContact CB-CD1 3.83Å; C883-Y892 HydrophobicContact CB-CD2 3.8Å; C883-Y892 HydrophobicContact CB-CE1 3.93Å; C883-Y892 HydrophobicContact CB-CE2 3.91Å; C883-Y892 HydrophobicContact CB-CG 3.76Å; P888-Y892 PolarHBondContact O-N 3.44Å; L889-Y892 PolarHBondContact O-N 3.02Å; Y892-L894 VanDerWaalsContact C-N 3.31Å; Y892-L894 PolarHBondContact O-N 3.22Å; Y892-M895 HydrophobicContact CD2-CB 4.48Å; Y892-M895 HydrophobicContact CD2-SD 4.14Å; Y892-M895 WeakPolarHBondContact O-CB 3.4Å; Y892-M895 PolarHBondContact O-N 2.76Å; Y892-M895 VanDerWaalsContact O-N 3.11Å; Y892-R896 HydrophobicContact CD1-CG 4.35Å; Y892-R896 HydrophobicContact CE1-CG 4.06Å; Y892-R896 WeakPolarHBondContact O-CG 3.42Å; Y892-R896 PolarHBondContact O-N 2.87Å; Y892-W899 HydrophobicContact CE2-CZ3 4.14Å
893N94Very high92Very high68 Ų6861.1 Ų61.136%0.36432%0.315SS..Hα-helixtrans-61.8-38.2171.7-73-29.4000112L889 E890 L891 R896 L897L889-N893 WeakPolarHBondContact O-CB 3.42Å; L889-N893 VanDerWaalsContact O-CG 3.31Å; L889-N893 PolarHBondContact O-N 2.77Å; L889-N893 PolarHBondContact O-ND2 2.93Å; E890-N893 PolarHBondContact O-N 3.5Å; L891-N893 VanDerWaalsContact C-N 3.27Å; L891-N893 PolarHBondContact O-N 2.85Å; N893-R896 PolarHBondContact O-N 3.3Å; N893-L897 WeakPolarHBondContact O-CG 3.35Å; N893-L897 PolarHBondContact O-N 3.17Å
894L96.4Very high92.1Very high5 Ų563.4 Ų63.43%0.02633%0.331CS..Hα-helixtrans-61.7-42.1171-178.163.6000111.9L852 E890 L891 Y892 R896 L897 C898 P907 I912 I915 L916L852-L894 HydrophobicContact CD1-CD2 4.26Å; L852-L894 HydrophobicContact CD1-CG 4.45Å; E890-L894 PolarHBondContact O-N 3.33Å; E890-L894 VanDerWaalsContact O-N 3.13Å; L891-L894 HydrophobicContact CD1-CD2 4.25Å; L891-L894 WeakPolarHBondContact O-CA 3.14Å; L891-L894 VanDerWaalsContact O-CB 3.28Å; L891-L894 WeakPolarHBondContact O-CB 3.45Å; L891-L894 PolarHBondContact O-N 2.91Å; Y892-L894 VanDerWaalsContact C-N 3.31Å; Y892-L894 PolarHBondContact O-N 3.22Å; L894-R896 VanDerWaalsContact C-N 3.33Å; L894-R896 PolarHBondContact O-N 3.36Å; L894-L897 PolarHBondContact O-N 2.96Å; L894-C898 PolarHBondContact O-N 3.21Å; L894-C898 PolarHBondContact O-SG 3.21Å; L894-P907 HydrophobicContact CD1-CG 4.36Å; L894-I912 HydrophobicContact CD1-CG1 4.34Å; L894-I912 HydrophobicContact CD2-CG2 4.31Å; L894-I915 HydrophobicContact CD1-CD1 3.87Å; L894-I915 HydrophobicContact CD1-CG2 4.44Å; L894-I915 HydrophobicContact CD2-CB 4.47Å; L894-I915 HydrophobicContact CD2-CG2 3.98Å; L894-L916 HydrophobicContact CD2-CD2 3.98Å; L894-L916 HydrophobicContact CD2-CG 3.98Å
895M97.7Very high92.3Very high0 Ų067.4 Ų67.40%035%0.352CS..Hα-helixtrans-59.9-43.7174.2-57.2-175.1-159.300111.3L852 W853 L891 Y892 L897 C898 W899L852-M895 HydrophobicContact CB-CE 3.81Å; L852-M895 HydrophobicContact CB-CG 3.89Å; L852-M895 HydrophobicContact CB-SD 4.13Å; L852-M895 HydrophobicContact CD1-CG 4.01Å; W853-M895 HydrophobicContact CB-SD 3.99Å; L891-M895 HydrophobicContact CD2-CE 3.93Å; L891-M895 HydrophobicContact CG-CE 3.93Å; L891-M895 WeakPolarHBondContact O-CG 3.33Å; L891-M895 PolarHBondContact O-N 3.41Å; Y892-M895 HydrophobicContact CD2-CB 4.48Å; Y892-M895 HydrophobicContact CD2-SD 4.14Å; Y892-M895 WeakPolarHBondContact O-CB 3.4Å; Y892-M895 PolarHBondContact O-N 2.76Å; Y892-M895 VanDerWaalsContact O-N 3.11Å; M895-L897 VanDerWaalsContact C-N 3.32Å; M895-L897 PolarHBondContact O-N 2.88Å; M895-C898 WeakPolarHBondContact O-CA 3.38Å; M895-C898 WeakPolarHBondContact O-CB 3.46Å; M895-C898 PolarHBondContact O-N 2.95Å; M895-W899 HydrophobicContact CB-CE3 4.16Å; M895-W899 HydrophobicContact CB-CH2 3.75Å; M895-W899 HydrophobicContact CB-CZ2 4.23Å; M895-W899 HydrophobicContact CB-CZ3 3.72Å; M895-W899 HydrophobicContact CG-CH2 4.43Å; M895-W899 PolarHBondContact O-N 3.43Å; M895-W899 HydrophobicContact SD-CH2 4.03Å
896R95.6Very high93Very high134 Ų13459.7 Ų59.751%0.50632%0.315SS..Hα-helixtrans-60.5-39.7176.8-67.7-178.769-165.11.8112.6I880 Y892 N893 L894 C898 W899 S900I880-R896 HydrophobicContact CD1-CB 4.49Å; I880-R896 HydrophobicContact CD1-CG 3.75Å; Y892-R896 HydrophobicContact CD1-CG 4.35Å; Y892-R896 HydrophobicContact CE1-CG 4.06Å; Y892-R896 WeakPolarHBondContact O-CG 3.42Å; Y892-R896 PolarHBondContact O-N 2.87Å; N893-R896 PolarHBondContact O-N 3.3Å; L894-R896 VanDerWaalsContact C-N 3.33Å; L894-R896 PolarHBondContact O-N 3.36Å; R896-C898 VanDerWaalsContact C-N 3.32Å; R896-W899 CarbonylContact O-C 3.52Å; R896-W899 PolarHBondContact O-N 3.11Å; R896-S900 PolarHBondContact O-N 3.43Å
897L96.3Very high93.8Very high90 Ų9053.4 Ų53.447%0.47128%0.283SS..Hα-helixtrans-65.3-35.5174.1-68.8172.4000112N893 L894 M895 W899 S900 P907N893-L897 WeakPolarHBondContact O-CG 3.35Å; N893-L897 PolarHBondContact O-N 3.17Å; L894-L897 PolarHBondContact O-N 2.96Å; M895-L897 VanDerWaalsContact C-N 3.32Å; M895-L897 PolarHBondContact O-N 2.88Å; L897-W899 VanDerWaalsContact C-N 3.26Å; L897-W899 PolarHBondContact O-N 3.32Å; L897-S900 PolarHBondContact O-N 2.85Å; L897-S900 PolarHBondContact O-OG 3.19Å; L897-P907 HydrophobicContact CB-CG 4.25Å; L897-P907 WeakPolarHBondContact O-CD 3.49Å
898C97.3Very high94.2Very high0 Ų055.5 Ų55.50%030%0.298CS..Hα-helixtrans-66.5-30.4173.7-62.40000112V845 W846 L894 M895 R896 R906V845-C898 HydrophobicContact CG1-CB 4.01Å; V845-C898 WeakPolarHBondContact O-CB 3.49Å; W846-C898 WeakPolarHBondContact CA-O 3.17Å; L894-C898 PolarHBondContact O-N 3.21Å; L894-C898 PolarHBondContact O-SG 3.21Å; M895-C898 WeakPolarHBondContact O-CA 3.38Å; M895-C898 WeakPolarHBondContact O-CB 3.46Å; M895-C898 PolarHBondContact O-N 2.95Å; R896-C898 VanDerWaalsContact C-N 3.32Å; C898-R906 VanDerWaalsContact O-CD 3.28Å; C898-R906 WeakPolarHBondContact O-CD 3.22Å
899W97.4Very high94.5Very high7 Ų753.6 Ų53.63%0.02729%0.286CS..THydrogen-bonded Turntrans-93.422.5178.4-56.6-39000114.5W846 G849 V850 W853 I880 L881 Y892 M895 R896 L897 T901W846-W899 HydrophobicContact CD2-CB 4.5Å; W846-W899 AromaticContact CD2-CD1 3.63Å; W846-W899 HydrophobicContact CD2-CG 4.42Å; W846-W899 AromaticContact CE2-CD1 3.68Å; W846-W899 HydrophobicContact CE3-CB 4.14Å; W846-W899 AromaticContact CG-CD1 3.88Å; W846-W899 HydrophobicContact CH2-CB 4.07Å; W846-W899 HydrophobicContact CZ2-CB 4.45Å; W846-W899 HydrophobicContact CZ2-CG 4.49Å; W846-W899 VanDerWaalsContact CZ3-C 3.49Å; W846-W899 HydrophobicContact CZ3-CB 3.92Å; W846-W899 WeakPolarHBondContact CZ3-O 3.33Å; W846-W899 AromaticContact NE1-CD1 3.97Å; W846-W899 PolarHBondContact O-NE1 2.95Å; G849-W899 VanDerWaalsContact C-CZ2 3.41Å; G849-W899 VanDerWaalsContact O-CZ2 3.24Å; G849-W899 WeakPolarHBondContact O-CZ2 3.41Å; V850-W899 HydrophobicContact CG2-CZ2 4.23Å; W853-W899 HydrophobicContact CB-CH2 4.17Å; W853-W899 HydrophobicContact CB-CZ2 4.27Å; W853-W899 HydrophobicContact CG-CH2 4.5Å; I880-W899 HydrophobicContact CB-CE3 3.86Å; I880-W899 HydrophobicContact CB-CZ3 4.43Å; I880-W899 HydrophobicContact CD1-CE3 4.12Å; I880-W899 HydrophobicContact CG1-CE3 4.49Å; I880-W899 HydrophobicContact CG2-CB 3.85Å; I880-W899 HydrophobicContact CG2-CE3 4.24Å; I880-W899 HydrophobicContact CG2-CG 4.44Å; L881-W899 HydrophobicContact CB-CH2 3.74Å; L881-W899 HydrophobicContact CB-CZ2 4.4Å; L881-W899 HydrophobicContact CB-CZ3 4.09Å; L881-W899 HydrophobicContact CD1-CH2 4Å; L881-W899 HydrophobicContact CD1-CZ2 3.86Å; L881-W899 HydrophobicContact CG-CH2 4.39Å; Y892-W899 HydrophobicContact CE2-CZ3 4.14Å; M895-W899 HydrophobicContact CB-CE3 4.16Å; M895-W899 HydrophobicContact CB-CH2 3.75Å; M895-W899 HydrophobicContact CB-CZ2 4.23Å; M895-W899 HydrophobicContact CB-CZ3 3.72Å; M895-W899 HydrophobicContact CG-CH2 4.43Å; M895-W899 PolarHBondContact O-N 3.43Å; M895-W899 HydrophobicContact SD-CH2 4.03Å; R896-W899 CarbonylContact O-C 3.52Å; R896-W899 PolarHBondContact O-N 3.11Å; L897-W899 VanDerWaalsContact C-N 3.26Å; L897-W899 PolarHBondContact O-N 3.32Å; W899-T901 PolarHBondContact O-N 3.4Å
900S93.6Very high94.8Very high27 Ų2750.6 Ų50.619%0.18927%0.274CS..  trans-59.5136.3170.8-64.30000111R896 L897 H902 R906R896-S900 PolarHBondContact O-N 3.43Å; L897-S900 PolarHBondContact O-N 2.85Å; L897-S900 PolarHBondContact O-OG 3.19Å; S900-H902 VanDerWaalsContact C-N 3.35Å; S900-H902 PolarHBondContact O-N 3.39Å; S900-R906 PolarHBondContact O-NE 3.37Å; S900-R906 PolarHBondContact O-NH2 3.43Å; S900-R906 VanDerWaalsContact O-NH2 3.12Å
901T87.4Confident95Very high91 Ų9147.4 Ų47.456%0.55826%0.264SS*.SBendtrans-63.5-39.9-177.749.90000112.1W899W899-T901 PolarHBondContact O-N 3.4Å
902H88.6Confident95.2Very high117 Ų11747.4 Ų47.454%0.54226%0.264SS..SBendtrans-85.4124.7172.6-64.989.6000110.1S900 S904 D905S900-H902 VanDerWaalsContact C-N 3.35Å; S900-H902 PolarHBondContact O-N 3.39Å; H902-S904 PolarHBondContact O-N 3.46Å; H902-D905 WeakPolarHBondContact CB-OD2 3.47Å; H902-D905 PolarHBondContact O-N 2.97Å; H902-D905 VanDerWaalsContact O-N 3.13Å
903P91.6Very high95.3Very high34 Ų3448.1 Ų48.122%0.22127%0.268CS..G310 helixtrans-58.6-32.8-178.7-27.535.6000114.2E832 E842 D905 R906E832-P903 HydrophobicContact CG-CG 4.01Å; E842-P903 HydrophobicContact CB-CB 3.82Å; E842-P903 HydrophobicContact CG-CB 4.37Å; E842-P903 WeakPolarHBondContact CG-O 3.33Å; P903-D905 PolarHBondContact O-N 3.35Å; P903-R906 WeakPolarHBondContact O-CB 3.31Å; P903-R906 PolarHBondContact O-N 3.44Å
904S92.3Very high95.4Very high101 Ų10152.2 Ų52.271%0.70628%0.279SS*.G310 helixtrans-65-22.6179.250.70000114.4H902 R906H902-S904 PolarHBondContact O-N 3.46Å; S904-R906 VanDerWaalsContact C-N 3.29Å
905D95Very high95.4Very high97 Ų9754.4 Ų54.452%0.51929%0.29SS..G310 helixtrans-88.4-5.7-176.5-58.4-10.5000111.5H902 P903H902-D905 WeakPolarHBondContact CB-OD2 3.47Å; H902-D905 PolarHBondContact O-N 2.97Å; H902-D905 VanDerWaalsContact O-N 3.13Å; P903-D905 PolarHBondContact O-N 3.35Å
906R97.4Very high95.3Very high14 Ų1454.4 Ų54.45%0.05329%0.29CS..SBendtrans-78.9142.3178.4-58.9177.6-168.7153.59.2109.8E832 E842 V845 C898 S900 P903 S904E832-R906 IonicContact OE1-CZ 2.71Å; E832-R906 IonicContact OE1-NH1 3.88Å; E832-R906 PolarHBondContact OE1-NH1 3.3Å; E832-R906 IonicContact OE1-NH2 2.63Å; E832-R906 IonicContact OE2-CZ 3.53Å; E832-R906 IonicContact OE2-NH1 3.54Å; E832-R906 IonicContact OE2-NH2 2.82Å; E832-R906 PolarHBondContact OE2-NH2 2.97Å; E842-R906 VanDerWaalsContact O-CD 3.32Å; E842-R906 WeakPolarHBondContact O-CD 3.48Å; E842-R906 PolarHBondContact O-NH1 2.86Å; V845-R906 HydrophobicContact CB-CB 4.48Å; V845-R906 HydrophobicContact CG1-CB 3.9Å; C898-R906 VanDerWaalsContact O-CD 3.28Å; C898-R906 WeakPolarHBondContact O-CD 3.22Å; S900-R906 PolarHBondContact O-NE 3.37Å; S900-R906 PolarHBondContact O-NH2 3.43Å; S900-R906 VanDerWaalsContact O-NH2 3.12Å; P903-R906 WeakPolarHBondContact O-CB 3.31Å; P903-R906 PolarHBondContact O-N 3.44Å; S904-R906 VanDerWaalsContact C-N 3.29Å
907P97.3Very high95.2Very high24 Ų2451.9 Ų51.916%0.15628%0.284CS..PPolyproline II helixtrans-68.6148.9179.527.6-32.8000111.2V845 L894 L897 I912V845-P907 HydrophobicContact CG1-CG 4.48Å; V845-P907 WeakPolarHBondContact CG1-O 3.4Å; V845-P907 WeakPolarHBondContact CG2-O 3.32Å; L894-P907 HydrophobicContact CD1-CG 4.36Å; L897-P907 HydrophobicContact CB-CG 4.25Å; L897-P907 WeakPolarHBondContact O-CD 3.49Å; P907-I912 HydrophobicContact CB-CD1 4.49Å; P907-I912 HydrophobicContact CB-CG1 3.93Å; P907-I912 HydrophobicContact CG-CD1 3.98Å; P907-I912 HydrophobicContact CG-CG1 3.72Å
908S97.2Very high95.2Very high59 Ų5954.3 Ų54.341%0.41329%0.287SS..PPolyproline II helixtrans-70.4152.1171.565.50000111.4S910 S911 I912S908-S910 PolarHBondContact O-N 2.95Å; S908-S911 WeakPolarHBondContact O-CA 3.38Å; S908-S911 WeakPolarHBondContact O-CB 3.4Å; S908-S911 PolarHBondContact O-N 3.2Å; S908-S911 PolarHBondContact OG-N 3.02Å; S908-S911 PolarHBondContact OG-OG 2.87Å; S908-I912 WeakPolarHBondContact O-CG1 3.45Å; S908-I912 PolarHBondContact O-N 3.39Å
909F97.6Very high95Very high0 Ų054.7 Ų54.70%029%0.289CS..Hα-helixtrans-56.9-35.7177.3-81.5-66000113.6M773 A774 T841 D844 V845 Y848 S911 I912 H913M773-F909 HydrophobicContact CB-CB 4.46Å; M773-F909 HydrophobicContact CB-CD1 3.37Å; M773-F909 HydrophobicContact CB-CD2 3.92Å; M773-F909 HydrophobicContact CB-CE1 3.35Å; M773-F909 HydrophobicContact CB-CE2 3.9Å; M773-F909 HydrophobicContact CB-CG 3.66Å; M773-F909 HydrophobicContact CB-CZ 3.62Å; M773-F909 HydrophobicContact CE-CE2 3.71Å; M773-F909 HydrophobicContact CE-CZ 3.69Å; M773-F909 HydrophobicContact CG-CD1 4.27Å; M773-F909 HydrophobicContact CG-CE1 3.76Å; M773-F909 HydrophobicContact CG-CE2 4.48Å; M773-F909 HydrophobicContact CG-CZ 3.88Å; A774-F909 HydrophobicContact CB-CB 3.92Å; T841-F909 HydrophobicContact CG2-CD2 3.8Å; T841-F909 HydrophobicContact CG2-CE2 3.97Å; D844-F909 HydrophobicContact CB-CE2 3.93Å; D844-F909 HydrophobicContact CB-CZ 3.98Å; V845-F909 HydrophobicContact CB-CZ 4.43Å; V845-F909 HydrophobicContact CG2-CD2 3.88Å; V845-F909 HydrophobicContact CG2-CE1 4.29Å; V845-F909 HydrophobicContact CG2-CE2 3.6Å; V845-F909 HydrophobicContact CG2-CG 4.34Å; V845-F909 HydrophobicContact CG2-CZ 3.83Å; Y848-F909 HydrophobicContact CD1-CE1 4.24Å; Y848-F909 HydrophobicContact CD2-CE1 4.04Å; Y848-F909 AromaticContact CG-CE1 3.7Å; Y848-F909 HydrophobicContact CG-CE1 3.7Å; F909-S911 VanDerWaalsContact C-N 3.29Å; F909-S911 PolarHBondContact O-N 3.37Å; F909-I912 HydrophobicContact CD1-CD1 4.1Å; F909-I912 HydrophobicContact CE1-CD1 4.44Å; F909-I912 PolarHBondContact O-N 3.08Å; F909-H913 WeakPolarHBondContact O-CB 3.48Å; F909-H913 PolarHBondContact O-N 3.11Å
910S95.8Very high94.7Very high57 Ų5755.4 Ų55.440%0.39929%0.292SS..Hα-helixtrans-62.5-36.6173.8-41.50000112.1S908 R914S908-S910 PolarHBondContact O-N 2.95Å; S910-R914 PolarHBondContact O-N 3.49Å
911S97Very high94.6Very high38 Ų3859 Ų5927%0.26631%0.309SS..Hα-helixtrans-70.8-45175.6-570000111.4S908 F909 H913 R914 I915S908-S911 WeakPolarHBondContact O-CA 3.38Å; S908-S911 WeakPolarHBondContact O-CB 3.4Å; S908-S911 PolarHBondContact O-N 3.2Å; S908-S911 PolarHBondContact OG-N 3.02Å; S908-S911 PolarHBondContact OG-OG 2.87Å; F909-S911 VanDerWaalsContact C-N 3.29Å; F909-S911 PolarHBondContact O-N 3.37Å; S911-H913 PolarHBondContact O-N 2.97Å; S911-R914 PolarHBondContact O-N 3.42Å; S911-I915 VanDerWaalsContact O-CG1 3.28Å; S911-I915 WeakPolarHBondContact O-CG1 3.2Å; S911-I915 PolarHBondContact O-N 3.44Å
912I97.9Very high94.7Very high0 Ų058.8 Ų58.80%030%0.304CS..Hα-helixtrans-57.3-49176-65.5172.3000110.5A770 V845 Y848 L894 P907 S908 F909 R914 I915 L916A770-I912 HydrophobicContact CB-CG2 4.06Å; V845-I912 HydrophobicContact CG1-CD1 3.8Å; V845-I912 HydrophobicContact CG2-CD1 4.29Å; Y848-I912 HydrophobicContact CD1-CD1 4.19Å; Y848-I912 HydrophobicContact CD1-CG2 3.9Å; Y848-I912 HydrophobicContact CE1-CG2 3.31Å; L894-I912 HydrophobicContact CD1-CG1 4.34Å; L894-I912 HydrophobicContact CD2-CG2 4.31Å; P907-I912 HydrophobicContact CB-CD1 4.49Å; P907-I912 HydrophobicContact CB-CG1 3.93Å; P907-I912 HydrophobicContact CG-CD1 3.98Å; P907-I912 HydrophobicContact CG-CG1 3.72Å; S908-I912 WeakPolarHBondContact O-CG1 3.45Å; S908-I912 PolarHBondContact O-N 3.39Å; F909-I912 HydrophobicContact CD1-CD1 4.1Å; F909-I912 HydrophobicContact CE1-CD1 4.44Å; F909-I912 PolarHBondContact O-N 3.08Å; I912-R914 VanDerWaalsContact C-N 3.34Å; I912-R914 PolarHBondContact O-N 3.22Å; I912-I915 PolarHBondContact O-N 3.09Å; I912-L916 HydrophobicContact CG2-CD1 3.82Å; I912-L916 WeakPolarHBondContact O-CG 3.42Å; I912-L916 PolarHBondContact O-N 3.08Å
913H97.4Very high94.5Very high48 Ų4854.2 Ų54.222%0.22229%0.286CS..Hα-helixtrans-56-47.9177.8177.3-102.1000111.6K767 A770 F909 S911 I915 L916 E917K767-H913 PolarHBondContact O-CD2 3.44Å; A770-H913 HydrophobicContact CB-CB 4.02Å; F909-H913 WeakPolarHBondContact O-CB 3.48Å; F909-H913 PolarHBondContact O-N 3.11Å; S911-H913 PolarHBondContact O-N 2.97Å; H913-I915 VanDerWaalsContact C-N 3.34Å; H913-I915 PolarHBondContact O-N 2.93Å; H913-L916 PolarHBondContact O-N 3.25Å; H913-E917 VanDerWaalsContact O-CB 3.31Å; H913-E917 WeakPolarHBondContact O-CB 3.32Å; H913-E917 PolarHBondContact O-N 3.43Å
914R95.9Very high94.2Very high153 Ų15356.7 Ų56.758%0.57730%0.296SS*.Hα-helixtrans-64.2-36.3178.6-172.5177.965.5174.8-1.4113S910 S911 I912 R918S910-R914 PolarHBondContact O-N 3.49Å; S911-R914 PolarHBondContact O-N 3.42Å; I912-R914 VanDerWaalsContact C-N 3.34Å; I912-R914 PolarHBondContact O-N 3.22Å; R914-R918 PolarHBondContact O-N 3.03Å; R914-R918 VanDerWaalsContact O-N 3.16Å
915I96.3Very high93.4Very high51 Ų5155.3 Ų55.326%0.26229%0.287SS..Hα-helixtrans-65.5-50.1175.7-68.2164.6000109.5L894 S911 I912 H913 E917 R918 M919L894-I915 HydrophobicContact CD1-CD1 3.87Å; L894-I915 HydrophobicContact CD1-CG2 4.44Å; L894-I915 HydrophobicContact CD2-CB 4.47Å; L894-I915 HydrophobicContact CD2-CG2 3.98Å; S911-I915 VanDerWaalsContact O-CG1 3.28Å; S911-I915 WeakPolarHBondContact O-CG1 3.2Å; S911-I915 PolarHBondContact O-N 3.44Å; I912-I915 PolarHBondContact O-N 3.09Å; H913-I915 VanDerWaalsContact C-N 3.34Å; H913-I915 PolarHBondContact O-N 2.93Å; I915-E917 VanDerWaalsContact C-N 3.34Å; I915-E917 PolarHBondContact O-N 2.99Å; I915-R918 WeakPolarHBondContact O-CB 3.27Å; I915-R918 PolarHBondContact O-N 2.87Å; I915-M919 HydrophobicContact CG2-CG 4.43Å; I915-M919 HydrophobicContact CG2-SD 4.04Å; I915-M919 WeakPolarHBondContact O-CG 3.47Å; I915-M919 PolarHBondContact O-N 3.24Å
916L96.6Very high91.9Very high0 Ų054.4 Ų54.40%029%0.293CS..Hα-helixtrans-65-36.9-179.9-70.5168.3000112.9L763 K767 A770 Y848 L852 L891 L894 I912 H913 M919 H920L763-L916 HydrophobicContact CD2-CD2 4.21Å; K767-L916 HydrophobicContact CB-CB 4.19Å; A770-L916 HydrophobicContact CB-CD1 3.95Å; Y848-L916 HydrophobicContact CE1-CD1 4.15Å; Y848-L916 WeakPolarHBondContact OH-CD1 3.45Å; L852-L916 HydrophobicContact CD2-CD1 4.4Å; L852-L916 HydrophobicContact CD2-CD2 4.45Å; L891-L916 HydrophobicContact CD1-CD2 3.46Å; L891-L916 VanDerWaalsContact CD1-CD2 3.46Å; L894-L916 HydrophobicContact CD2-CD2 3.98Å; L894-L916 HydrophobicContact CD2-CG 3.98Å; I912-L916 HydrophobicContact CG2-CD1 3.82Å; I912-L916 WeakPolarHBondContact O-CG 3.42Å; I912-L916 PolarHBondContact O-N 3.08Å; H913-L916 PolarHBondContact O-N 3.25Å; L916-M919 PolarHBondContact O-N 2.81Å; L916-H920 VanDerWaalsContact O-CB 3.22Å; L916-H920 WeakPolarHBondContact O-CB 3.44Å; L916-H920 PolarHBondContact O-N 2.85Å
917E94.5Very high90Very high82 Ų8259.8 Ų59.838%0.38332%0.322SS..Hα-helixtrans-59.6-46.9173.2-179172.9-121.800111.3K767 H913 I915 H920 L921K767-E917 HydrophobicContact CD-CB 4.05Å; K767-E917 HydrophobicContact CD-CG 4.38Å; K767-E917 HydrophobicContact CG-CB 4.49Å; H913-E917 VanDerWaalsContact O-CB 3.31Å; H913-E917 WeakPolarHBondContact O-CB 3.32Å; H913-E917 PolarHBondContact O-N 3.43Å; I915-E917 VanDerWaalsContact C-N 3.34Å; I915-E917 PolarHBondContact O-N 2.99Å; E917-H920 PolarHBondContact O-N 2.93Å; E917-L921 HydrophobicContact CG-CD1 4.25Å; E917-L921 VanDerWaalsContact O-CG 3.32Å; E917-L921 WeakPolarHBondContact O-CG 3.33Å; E917-L921 PolarHBondContact O-N 3.09Å
918R94.8Very high87.8Confident140 Ų14062.1 Ų62.153%0.52834%0.344SS..Hα-helixtrans-61.5-47.2175.6-174.6-173-60.3177.1-1.5112R914 I915 H920 L921 N922R914-R918 PolarHBondContact O-N 3.03Å; R914-R918 VanDerWaalsContact O-N 3.16Å; I915-R918 WeakPolarHBondContact O-CB 3.27Å; I915-R918 PolarHBondContact O-N 2.87Å; R918-H920 VanDerWaalsContact C-N 3.31Å; R918-H920 PolarHBondContact O-N 2.82Å; R918-L921 PolarHBondContact O-N 3.06Å; R918-N922 WeakPolarHBondContact O-CB 3.48Å; R918-N922 VanDerWaalsContact O-CG 3.23Å; R918-N922 PolarHBondContact O-N 2.9Å; R918-N922 PolarHBondContact O-OD1 3.36Å
919M93.1Very high85.1Confident9 Ų967.9 Ų67.94%0.04437%0.365CS..Hα-helixtrans-61.3-41.5178.8-67.9-178.170.600111.7L763 P888 E890 L891 I915 L916 N922 S923L763-M919 HydrophobicContact CD1-CB 4.33Å; L763-M919 HydrophobicContact CD2-CB 4.3Å; L763-M919 HydrophobicContact CD2-CE 4.39Å; P888-M919 HydrophobicContact CB-CE 4.37Å; E890-M919 HydrophobicContact CB-CE 3.81Å; E890-M919 HydrophobicContact CB-SD 4.5Å; E890-M919 HydrophobicContact CG-CE 3.94Å; E890-M919 HydrophobicContact CG-CG 4.48Å; E890-M919 HydrophobicContact CG-SD 4Å; L891-M919 HydrophobicContact CB-CE 3.72Å; L891-M919 HydrophobicContact CD1-CE 4.42Å; L891-M919 HydrophobicContact CD1-SD 4.32Å; I915-M919 HydrophobicContact CG2-CG 4.43Å; I915-M919 HydrophobicContact CG2-SD 4.04Å; I915-M919 WeakPolarHBondContact O-CG 3.47Å; I915-M919 PolarHBondContact O-N 3.24Å; L916-M919 PolarHBondContact O-N 2.81Å; M919-N922 PolarHBondContact O-N 3.26Å; M919-S923 WeakPolarHBondContact O-CB 3.28Å; M919-S923 PolarHBondContact O-N 3.3Å
920H92.4Very high82.9Confident21 Ų2173 Ų7310%0.09740%0.397CS..Hα-helixtrans-63.7-47177.4-177.763.4000111.5P760 L763 L916 E917 R918 N922 S923 L924P760-H920 PolarHBondContact O-CE1 2.91Å; P760-H920 PolarHBondContact O-ND1 2.79Å; L763-H920 HydrophobicContact CB-CB 4.12Å; L916-H920 VanDerWaalsContact O-CB 3.22Å; L916-H920 WeakPolarHBondContact O-CB 3.44Å; L916-H920 PolarHBondContact O-N 2.85Å; E917-H920 PolarHBondContact O-N 2.93Å; R918-H920 VanDerWaalsContact C-N 3.31Å; R918-H920 PolarHBondContact O-N 2.82Å; H920-N922 VanDerWaalsContact C-N 3.35Å; H920-N922 PolarHBondContact O-N 3.22Å; H920-S923 PolarHBondContact O-N 3.23Å; H920-S923 PolarHBondContact O-OG 2.93Å; H920-L924 WeakPolarHBondContact O-CG 3.31Å; H920-L924 PolarHBondContact O-N 3.42Å; H920-L924 VanDerWaalsContact O-N 3.09Å
921L90.4Very high80.4Confident103 Ų10380.1 Ų80.154%0.53943%0.425SS..Hα-helixtrans-59.8-43.8176-70.5170.7000112.1E917 R918 S923 L924 S925E917-L921 HydrophobicContact CG-CD1 4.25Å; E917-L921 VanDerWaalsContact O-CG 3.32Å; E917-L921 WeakPolarHBondContact O-CG 3.33Å; E917-L921 PolarHBondContact O-N 3.09Å; R918-L921 PolarHBondContact O-N 3.06Å; L921-S923 VanDerWaalsContact C-N 3.32Å; L921-S923 PolarHBondContact O-N 3.16Å; L921-L924 PolarHBondContact O-N 3.24Å; L921-S925 PolarHBondContact O-N 3.47Å; L921-S925 VanDerWaalsContact O-N 3.08Å; L921-S925 PolarHBondContact O-OG 2.89Å
922N88.9Confident77.8Confident86 Ų8681.9 Ų81.946%0.4644%0.441SS..Hα-helixtrans-63.4-37.3176.9-69.6-7.3000112.3R918 M919 H920 L924 S925 A926R918-N922 WeakPolarHBondContact O-CB 3.48Å; R918-N922 VanDerWaalsContact O-CG 3.23Å; R918-N922 PolarHBondContact O-N 2.9Å; R918-N922 PolarHBondContact O-OD1 3.36Å; M919-N922 PolarHBondContact O-N 3.26Å; H920-N922 VanDerWaalsContact C-N 3.35Å; H920-N922 PolarHBondContact O-N 3.22Å; N922-L924 VanDerWaalsContact C-N 3.31Å; N922-L924 PolarHBondContact O-N 2.87Å; N922-S925 WeakPolarHBondContact CA-OG 3.25Å; N922-S925 PolarHBondContact O-N 3.42Å; N922-S925 PolarHBondContact O-OG 3.13Å; N922-A926 WeakPolarHBondContact O-CB 3.12Å; N922-A926 PolarHBondContact O-N 2.99Å
923S86.1Confident75.2Confident22 Ų2289.3 Ų89.315%0.15448%0.481CS..Hα-helixtrans-68.7-29.6177.375.20000113M919 H920 L921 N927M919-S923 WeakPolarHBondContact O-CB 3.28Å; M919-S923 PolarHBondContact O-N 3.3Å; H920-S923 PolarHBondContact O-N 3.23Å; H920-S923 PolarHBondContact O-OG 2.93Å; L921-S923 VanDerWaalsContact C-N 3.32Å; L921-S923 PolarHBondContact O-N 3.16Å; S923-N927 PolarHBondContact O-ND2 3.42Å
924L83.9Confident72.5Confident85 Ų8596.3 Ų96.345%0.44554%0.535SS..Hα-helixtrans-75-36.8174.6-67.5170.6000111.5P760 H920 L921 N922P760-L924 HydrophobicContact CB-CD2 4.13Å; H920-L924 WeakPolarHBondContact O-CG 3.31Å; H920-L924 PolarHBondContact O-N 3.42Å; H920-L924 VanDerWaalsContact O-N 3.09Å; L921-L924 PolarHBondContact O-N 3.24Å; N922-L924 VanDerWaalsContact C-N 3.31Å; N922-L924 PolarHBondContact O-N 2.87Å
925S75.4Confident71.3Confident72 Ų7293.5 Ų93.550%0.50353%0.533SS..Hα-helixtrans-73.3-33.1176.756.10000113.6L921 N922 N927 A928L921-S925 PolarHBondContact O-N 3.47Å; L921-S925 VanDerWaalsContact O-N 3.08Å; L921-S925 PolarHBondContact O-OG 2.89Å; N922-S925 WeakPolarHBondContact CA-OG 3.25Å; N922-S925 PolarHBondContact O-N 3.42Å; N922-S925 PolarHBondContact O-OG 3.13Å; S925-N927 PolarHBondContact O-N 3.29Å; S925-A928 WeakPolarHBondContact O-CB 3.34Å; S925-A928 PolarHBondContact O-N 3.06Å; S925-A928 VanDerWaalsContact O-N 3.11Å
926A63.6Low70Confident78 Ų7895.7 Ų95.765%0.64555%0.547SS*.Hα-helixtrans-68.5-23.9177.400000113.1N922 A928N922-A926 WeakPolarHBondContact O-CB 3.12Å; N922-A926 PolarHBondContact O-N 2.99Å; A926-A928 VanDerWaalsContact C-N 3.27Å
927N57.4Low68.5Low127 Ų127101 Ų10168%0.67958%0.578SS**THydrogen-bonded Turntrans-86.15.1173.6-71.5-19.8000113S923 S925S923-N927 PolarHBondContact O-ND2 3.42Å; S925-N927 PolarHBondContact O-N 3.29Å
928A52.3Low67Low74 Ų74102.1 Ų102.161%0.61259%0.589SS**  trans-11711.5-171.200000115.1S925 A926S925-A928 WeakPolarHBondContact O-CB 3.34Å; S925-A928 PolarHBondContact O-N 3.06Å; S925-A928 VanDerWaalsContact O-N 3.11Å; A926-A928 VanDerWaalsContact C-N 3.27Å
929E40.7Very low65.2Low180 Ų18099.8 Ų99.884%0.84159%0.593SS**SBendtrans-89.7141.6166.9-77.8-165.1168.900111.8
930P50.4Low63.4Low106 Ų106105.8 Ų105.869%0.68863%0.63SS**  trans-103144.1-147.426.6-11.6000114.4A932P930-A932 VanDerWaalsContact C-N 3.29Å; P930-A932 PolarHBondContact O-N 3.46Å
931E43.2Very low61.3Low208 Ų208111.9 Ų111.997%0.97267%0.668SS**  trans-59.393.8146.2-73.6-174.815400108.4
932A42.6Very low59.1Low74 Ų74112.5 Ų112.561%0.61268%0.678SS**  trans-158.6122.2161.400000111.7P930P930-A932 VanDerWaalsContact C-N 3.29Å; P930-A932 PolarHBondContact O-N 3.46Å
933D44.1Very low56.6Low156 Ų156114.8 Ų114.883%0.83470%0.696SS**  trans81.7108.7158.5-65.8-16.5000121.9
934S39.2Very low53.9Low195 Ų195123.2 Ų123.2100%1.36475%0.745SS**  trans67.70144.564.70000120.9

Retrieved 934 of 934 residues in 857.2 ms (Link to these results)

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