A0A060WMN9_ONCMY Loading...

Arrestin C-terminal-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A060WMN9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 307 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
1M60.8Low90.5Very high213 Ų21374.4 Ų74.4100%1.04936%0.357SS*.  0142.20-63.2179.6-157.700108.6S34M1-S34 PolarHBondContact O-OG 2.84Å; M1-S34 VanDerWaalsContact O-OG 3.05Å
2A81.9Confident90.4Very high22 Ų2275.9 Ų75.918%0.18238%0.375CS..  trans-68.3-42.7-175.800000112.2A33 S34A2-A33 WeakPolarHBondContact O-CA 3.3Å; A2-S34 PolarHBondContact O-N 3.45Å; A2-S34 PolarHBondContact O-OG 3.23Å
3V87.6Confident89.9Confident16 Ų1676.8 Ų76.810%0.09738%0.381CS..EExtended strand (participates in β ladder)trans-84.4122.7170.1177.60000109.1F6 L31 T37 L126V3-F6 HydrophobicContact CG1-CB 4.15Å; V3-L31 HydrophobicContact CB-CD1 4.37Å; V3-L31 HydrophobicContact CG1-CD1 3.54Å; V3-L31 HydrophobicContact CG2-CD1 4Å; V3-T37 HydrophobicContact CG2-CG2 4.3Å; V3-L126 HydrophobicContact CG2-CD2 4.09Å
4K90.9Very high89.5Confident141 Ų14174.7 Ų74.761%0.61337%0.371SS*.EExtended strand (participates in β ladder)trans-91.4-42.9176.3-81176.6165.5-179.60112E32K4-E32 HydrophobicContact CB-CB 4.41Å; K4-E32 HydrophobicContact CB-CG 4.45Å; K4-E32 PolarHBondContact N-O 2.78Å
5H94.1Very high88.8Confident93 Ų9380.1 Ų80.143%0.43140%0.395SS..EExtended strand (participates in β ladder)trans-141.7136.1-176.2-172.675.6000110.3S7 L31 E32H5-S7 PolarHBondContact CD2-OG 2.8Å; H5-S7 VanDerWaalsContact NE2-CB 3.33Å; H5-S7 WeakPolarHBondContact NE2-CB 3.38Å; H5-S7 PolarHBondContact NE2-OG 3.5Å; H5-L31 CarbonylContact O-C 3.57Å; H5-L31 WeakPolarHBondContact O-CA 3.42Å; H5-E32 HydrophobicContact CB-CB 3.82Å; H5-E32 PolarHBondContact N-O 2.97Å; H5-E32 PolarHBondContact O-N 2.84Å
6F96.6Very high88.3Confident30 Ų3082.4 Ų82.413%0.13240%0.404CS..EExtended strand (participates in β ladder)trans-144.5116.2174.8-173.2-129.1000109.3V3 V29 T30 L31 L42 A124 L126 D134 A136V3-F6 HydrophobicContact CG1-CB 4.15Å; F6-V29 HydrophobicContact CD2-CG1 4.15Å; F6-V29 HydrophobicContact CE2-CG1 3.39Å; F6-V29 HydrophobicContact CZ-CG1 3.98Å; F6-T30 WeakPolarHBondContact CA-O 3.41Å; F6-L31 HydrophobicContact CB-CD1 4.44Å; F6-L31 HydrophobicContact CD2-CB 4.17Å; F6-L31 HydrophobicContact CD2-CD1 3.94Å; F6-L42 HydrophobicContact CE2-CD1 3.89Å; F6-L42 HydrophobicContact CZ-CD1 3.74Å; F6-A124 HydrophobicContact CE1-CB 3.99Å; F6-A124 HydrophobicContact CE2-CB 4.34Å; F6-A124 HydrophobicContact CZ-CB 3.55Å; F6-L126 HydrophobicContact CE1-CB 4.15Å; F6-L126 HydrophobicContact CE2-CB 4.19Å; F6-L126 HydrophobicContact CZ-CB 3.78Å; F6-D134 HydrophobicContact CD1-CB 4.04Å; F6-D134 HydrophobicContact CE1-CB 4.39Å; F6-A136 HydrophobicContact CD1-CB 3.65Å; F6-A136 HydrophobicContact CE1-CB 3.91Å; F6-A136 HydrophobicContact CG-CB 4.19Å; F6-A136 WeakPolarHBondContact O-CB 3.1Å
7S97.8Very high88.3Confident18 Ų1878.4 Ų78.413%0.12639%0.389CS..EExtended strand (participates in β ladder)trans-142.6160.6-171.655.10000112.3H5 V29 T30H5-S7 PolarHBondContact CD2-OG 2.8Å; H5-S7 VanDerWaalsContact NE2-CB 3.33Å; H5-S7 WeakPolarHBondContact NE2-CB 3.38Å; H5-S7 PolarHBondContact NE2-OG 3.5Å; S7-V29 WeakPolarHBondContact O-CA 3.4Å; S7-T30 PolarHBondContact N-O 2.94Å; S7-T30 PolarHBondContact O-N 2.86Å
8V98.3Very high88.5Confident7 Ų774.9 Ų74.94%0.04237%0.373CS..EExtended strand (participates in β ladder)trans-128.9122.7173.9-176.10000107.3V29 I44 F98 L122 A124 A136 T138V8-V29 HydrophobicContact CG2-CG2 4.2Å; V8-I44 HydrophobicContact CG1-CD1 3.79Å; V8-I44 HydrophobicContact CG2-CD1 3.94Å; V8-F98 HydrophobicContact CG1-CE1 3.86Å; V8-F98 HydrophobicContact CG1-CZ 3.98Å; V8-L122 HydrophobicContact CG1-CB 3.89Å; V8-L122 HydrophobicContact CG1-CD1 4.04Å; V8-A124 HydrophobicContact CG2-CB 3.36Å; V8-A136 HydrophobicContact CG2-CB 3.8Å; V8-T138 HydrophobicContact CB-CG2 4.06Å; V8-T138 HydrophobicContact CG1-CG2 3.97Å; V8-T138 VanDerWaalsContact O-CG2 3.32Å; V8-T138 WeakPolarHBondContact O-CG2 3.22Å
9D96.9Very high88.8Confident71 Ų7170.9 Ų70.938%0.3835%0.353SS..EExtended strand (participates in β ladder)trans-122.3152.9176-52.2-55.4000109.4G27 R28D9-G27 CarbonylContact O-C 3.47Å; D9-G27 WeakPolarHBondContact O-CA 3.48Å; D9-R28 HydrophobicContact CB-CG 4.4Å; D9-R28 PolarHBondContact N-O 2.72Å; D9-R28 PolarHBondContact O-N 3.05Å; D9-R28 IonicContact OD2-NE 3.94Å
10Y96.8Very high89.1Confident58 Ų5867.8 Ų67.823%0.22734%0.338CS..EExtended strand (participates in β ladder)trans-137.9157.3174.861.2-88.7000110.3F19 I25 T26 L122 T138 E139 F140Y10-F19 AromaticContact CD2-CE2 3.84Å; Y10-F19 HydrophobicContact CD2-CE2 3.84Å; Y10-F19 AromaticContact CD2-CZ 3.9Å; Y10-F19 HydrophobicContact CD2-CZ 3.9Å; Y10-F19 AromaticContact CE2-CE2 3.63Å; Y10-F19 HydrophobicContact CE2-CE2 3.63Å; Y10-F19 HydrophobicContact CE2-CZ 4.16Å; Y10-I25 HydrophobicContact CG-CG2 4.34Å; Y10-T26 WeakPolarHBondContact CA-O 3.47Å; Y10-L122 HydrophobicContact CD1-CD1 3.8Å; Y10-L122 HydrophobicContact CG-CD1 4.18Å; Y10-T138 HydrophobicContact CD1-CG2 3.74Å; Y10-T138 HydrophobicContact CE1-CG2 3.77Å; Y10-E139 PolarHBondContact OH-O 3.36Å; Y10-F140 HydrophobicContact CE1-CB 4.08Å; Y10-F140 HydrophobicContact CE2-CB 4.05Å; Y10-F140 WeakPolarHBondContact OH-CA 3.48Å; Y10-F140 VanDerWaalsContact OH-CB 3.31Å; Y10-F140 WeakPolarHBondContact OH-CB 3.29Å
11K94Very high89.3Confident149 Ų14966.1 Ų66.165%0.64834%0.335SS*.  trans-82.8134.4174.9-64.5-178.5177.5-177.70109.3T26K11-T26 PolarHBondContact N-O 3.16Å
12T88.7Confident90.9Very high93 Ų9357 Ų5757%0.57130%0.296SS*.  trans-71.9147.9166.152.80000109.3
13I84.9Confident91.5Very high88 Ų8857.5 Ų57.545%0.45130%0.295SS..SBendtrans-108.3-9.7-178.259.2168.9000113F19 D23I13-F19 HydrophobicContact CB-CE1 4.45Å; I13-F19 HydrophobicContact CD1-CD1 3.54Å; I13-F19 HydrophobicContact CD1-CE1 3.78Å; I13-F19 HydrophobicContact CD1-CG 4.38Å; I13-F19 HydrophobicContact CG1-CD1 4Å; I13-F19 HydrophobicContact CG1-CE1 3.83Å; I13-F19 HydrophobicContact CG1-CZ 4.42Å; I13-F19 HydrophobicContact CG2-CE1 3.83Å; I13-F19 HydrophobicContact CG2-CZ 4.41Å; I13-D23 HydrophobicContact CD1-CB 3.92Å; I13-D23 WeakPolarHBondContact CD1-OD2 3.31Å
14N83.8Confident91.9Very high47 Ų4759.6 Ų59.625%0.25131%0.308SS..SBendtrans-148.6173178.261.425.8000110.8H16 G17 T18N14-H16 PolarHBondContact O-N 3.12Å; N14-H16 PolarHBondContact OD1-N 3.43Å; N14-G17 PolarHBondContact O-N 3.2Å; N14-G17 WeakPolarHBondContact OD1-CA 3.4Å; N14-G17 PolarHBondContact OD1-N 3.38Å; N14-T18 PolarHBondContact ND2-O 3.28Å; N14-T18 PolarHBondContact ND2-OG1 3.12Å; N14-T18 PolarHBondContact OD1-N 2.84Å
15E79.1Confident92.2Very high156 Ų15652.9 Ų52.973%0.72928%0.279SS*.THydrogen-bonded Turntrans-62.6-27.7-178.8-62.4-177.5-172.100112.9Q301E15-Q301 PolarHBondContact OE1-NE2 3.22Å
16H81.4Confident92.4Very high116 Ų11651 Ų5154%0.53727%0.274SS..THydrogen-bonded Turntrans-89.5-6.7-178.7-57.5-53.4000114.1N14 T18N14-H16 PolarHBondContact O-N 3.12Å; N14-H16 PolarHBondContact OD1-N 3.43Å; H16-T18 HydrophobicContact CB-CG2 4.09Å; H16-T18 PolarHBondContact O-N 3.1Å
17G87.8Confident92.5Very high14 Ų1450 Ų5014%0.14427%0.273CS..  trans61.428.3-176.400000114.4N14N14-G17 PolarHBondContact O-N 3.2Å; N14-G17 WeakPolarHBondContact OD1-CA 3.4Å; N14-G17 PolarHBondContact OD1-N 3.38Å
18T92.1Very high92.5Very high16 Ų1654.6 Ų54.610%0.09829%0.287CS..EExtended strand (participates in β ladder)trans-99.3155.5-178.456.20000111.7N14 H16 T141N14-T18 PolarHBondContact ND2-O 3.28Å; N14-T18 PolarHBondContact ND2-OG1 3.12Å; N14-T18 PolarHBondContact OD1-N 2.84Å; H16-T18 HydrophobicContact CB-CG2 4.09Å; H16-T18 PolarHBondContact O-N 3.1Å; T18-T141 WeakPolarHBondContact CA-O 3.4Å; T18-T141 HydrophobicContact CG2-CG2 3.93Å
19F94.6Very high92.5Very high0 Ų054.2 Ų54.20%029%0.285CS..EExtended strand (participates in β ladder)trans-127.1156.7171.9-65.9-90.7000110.9Y10 I13 D23 I25 I102 F140 T141 Y142 L143Y10-F19 AromaticContact CD2-CE2 3.84Å; Y10-F19 HydrophobicContact CD2-CE2 3.84Å; Y10-F19 AromaticContact CD2-CZ 3.9Å; Y10-F19 HydrophobicContact CD2-CZ 3.9Å; Y10-F19 AromaticContact CE2-CE2 3.63Å; Y10-F19 HydrophobicContact CE2-CE2 3.63Å; Y10-F19 HydrophobicContact CE2-CZ 4.16Å; I13-F19 HydrophobicContact CB-CE1 4.45Å; I13-F19 HydrophobicContact CD1-CD1 3.54Å; I13-F19 HydrophobicContact CD1-CE1 3.78Å; I13-F19 HydrophobicContact CD1-CG 4.38Å; I13-F19 HydrophobicContact CG1-CD1 4Å; I13-F19 HydrophobicContact CG1-CE1 3.83Å; I13-F19 HydrophobicContact CG1-CZ 4.42Å; I13-F19 HydrophobicContact CG2-CE1 3.83Å; I13-F19 HydrophobicContact CG2-CZ 4.41Å; F19-D23 WeakPolarHBondContact CA-OD2 3.48Å; F19-D23 HydrophobicContact CD1-CB 4.09Å; F19-I25 HydrophobicContact CD1-CG1 3.8Å; F19-I25 HydrophobicContact CE1-CB 4.3Å; F19-I25 HydrophobicContact CE1-CG1 3.71Å; F19-I25 HydrophobicContact CG-CG1 4.3Å; F19-I25 HydrophobicContact CZ-CG1 4.13Å; F19-I25 HydrophobicContact CZ-CG2 4.3Å; F19-I102 HydrophobicContact CB-CD1 3.57Å; F19-I102 HydrophobicContact CD1-CD1 4.3Å; F19-I102 HydrophobicContact CG-CD1 4.17Å; F19-F140 HydrophobicContact CB-CD2 4.27Å; F19-F140 HydrophobicContact CB-CE2 4.41Å; F19-F140 HydrophobicContact CD2-CB 4.12Å; F19-F140 AromaticContact CD2-CD2 3.75Å; F19-F140 HydrophobicContact CD2-CD2 3.75Å; F19-F140 HydrophobicContact CD2-CG 4.23Å; F19-F140 HydrophobicContact CE2-CB 4.2Å; F19-F140 HydrophobicContact CE2-CD2 4.5Å; F19-F140 HydrophobicContact CG-CD2 4.28Å; F19-T141 PolarHBondContact N-O 3.39Å; F19-Y142 CarbonylContact O-C 3.53Å; F19-Y142 WeakPolarHBondContact O-CA 3.39Å; F19-Y142 WeakPolarHBondContact O-CD2 3.48Å; F19-L143 PolarHBondContact O-N 3.31Å
20S93.8Very high92.5Very high7 Ų751.1 Ų51.15%0.04927%0.269CS..  trans-136.9179.7178.8-63.60000111.8G22 D23 L143 K145S20-G22 PolarHBondContact O-N 2.89Å; S20-D23 PolarHBondContact N-OD2 3.49Å; S20-D23 WeakPolarHBondContact O-CB 3.45Å; S20-D23 PolarHBondContact O-N 2.78Å; S20-L143 WeakPolarHBondContact CB-O 3.06Å; S20-L143 PolarHBondContact OG-O 3.3Å; S20-K145 VanDerWaalsContact CB-CD 3.49Å; S20-K145 VanDerWaalsContact OG-CE 3.31Å; S20-K145 WeakPolarHBondContact OG-CE 3.3Å
21A93.4Very high92.5Very high33 Ų3348.3 Ų48.327%0.27326%0.258SS..THydrogen-bonded Turntrans-56.6130.9178.300000111.1D23 Y142A21-D23 VanDerWaalsContact C-N 3.29Å; A21-D23 PolarHBondContact O-N 2.88Å; A21-Y142 WeakPolarHBondContact CB-OH 3.2Å; A21-Y142 PolarHBondContact N-OH 2.87Å
22G94.1Very high92.6Very high22 Ų2244.7 Ų44.723%0.22724%0.243CC..THydrogen-bonded Turntrans87.8-18.8179.600000115.3S20 I102S20-G22 PolarHBondContact O-N 2.89Å; G22-I102 VanDerWaalsContact CA-O 3.3Å; G22-I102 WeakPolarHBondContact CA-O 3.42Å; G22-I102 PolarHBondContact N-O 2.86Å
23D95.3Very high92.9Very high32 Ų3240.4 Ų40.417%0.17122%0.217CC..  trans-63.3153.2-178.3-64.90000111.8I13 F19 S20 A21 I102 K145I13-D23 HydrophobicContact CD1-CB 3.92Å; I13-D23 WeakPolarHBondContact CD1-OD2 3.31Å; F19-D23 WeakPolarHBondContact CA-OD2 3.48Å; F19-D23 HydrophobicContact CD1-CB 4.09Å; S20-D23 PolarHBondContact N-OD2 3.49Å; S20-D23 WeakPolarHBondContact O-CB 3.45Å; S20-D23 PolarHBondContact O-N 2.78Å; A21-D23 VanDerWaalsContact C-N 3.29Å; A21-D23 PolarHBondContact O-N 2.88Å; D23-I102 HydrophobicContact CB-CD1 4.41Å; D23-I102 WeakPolarHBondContact O-CB 3.35Å; D23-I102 WeakPolarHBondContact O-CG1 3.34Å; D23-I102 PolarHBondContact O-N 2.79Å; D23-K145 IonicContact OD1-NZ 3.56Å
24T96.6Very high93.2Very high61 Ų6138.2 Ų38.237%0.37421%0.209SC..EExtended strand (participates in β ladder)trans-103.2125.3179.7-62.90000111.1T99 F100T24-T99 HydrophobicContact CG2-CG2 3.32Å; T24-F100 CarbonylContact C-O 3.49Å; T24-F100 WeakPolarHBondContact CA-O 3.31Å
25I97.3Very high93.6Very high0 Ų043 Ų430%023%0.228CC..EExtended strand (participates in β ladder)trans-97.6111.7173.1-51.7175.2000108.6Y10 F19 F98 T99 F100 I102 L122 F140Y10-I25 HydrophobicContact CG-CG2 4.34Å; F19-I25 HydrophobicContact CD1-CG1 3.8Å; F19-I25 HydrophobicContact CE1-CB 4.3Å; F19-I25 HydrophobicContact CE1-CG1 3.71Å; F19-I25 HydrophobicContact CG-CG1 4.3Å; F19-I25 HydrophobicContact CZ-CG1 4.13Å; F19-I25 HydrophobicContact CZ-CG2 4.3Å; I25-F98 HydrophobicContact CG2-CE2 4.4Å; I25-T99 CarbonylContact O-C 3.55Å; I25-T99 WeakPolarHBondContact O-CA 3.47Å; I25-F100 PolarHBondContact N-O 2.95Å; I25-F100 PolarHBondContact O-N 2.88Å; I25-I102 HydrophobicContact CD1-CD1 3.88Å; I25-I102 HydrophobicContact CD1-CG1 3.89Å; I25-I102 HydrophobicContact CG1-CD1 4.02Å; I25-I102 HydrophobicContact CG1-CG1 4.04Å; I25-L122 HydrophobicContact CG2-CD1 4.09Å; I25-F140 HydrophobicContact CD1-CD1 4.09Å; I25-F140 HydrophobicContact CD1-CD2 4.25Å; I25-F140 HydrophobicContact CD1-CE1 3.58Å; I25-F140 HydrophobicContact CD1-CE2 3.75Å; I25-F140 HydrophobicContact CD1-CG 4.39Å; I25-F140 HydrophobicContact CD1-CZ 3.36Å
26T97.7Very high94.2Very high52 Ų5242 Ų4232%0.31922%0.223SC..EExtended strand (participates in β ladder)trans-108.3137.3172.2-56.30000110.3Y10 K11 F98Y10-T26 WeakPolarHBondContact CA-O 3.47Å; K11-T26 PolarHBondContact N-O 3.16Å; T26-F98 WeakPolarHBondContact CA-O 3.26Å
27G97.6Very high94.4Very high11 Ų1136.5 Ų36.511%0.11320%0.198CC..EExtended strand (participates in β ladder)trans-164.6-164.2-17700000113.6D9 P97 F98D9-G27 CarbonylContact O-C 3.47Å; D9-G27 WeakPolarHBondContact O-CA 3.48Å; G27-P97 WeakPolarHBondContact O-CA 3.27Å; G27-F98 VanDerWaalsContact C-CE1 3.42Å; G27-F98 PolarHBondContact N-O 3.07Å; G27-F98 PolarHBondContact O-N 2.89Å
28R98Very high94.4Very high113 Ų11337.6 Ų37.643%0.42620%0.203SC..EExtended strand (participates in β ladder)trans-144.8148.3178.864.3-177.9177.6-162.1-3.7112.1D9 V95 Y96D9-R28 HydrophobicContact CB-CG 4.4Å; D9-R28 PolarHBondContact N-O 2.72Å; D9-R28 PolarHBondContact O-N 3.05Å; D9-R28 IonicContact OD2-NE 3.94Å; R28-V95 HydrophobicContact CB-CG1 3.82Å; R28-V95 HydrophobicContact CG-CG1 4.28Å; R28-Y96 CarbonylContact C-O 3.57Å; R28-Y96 WeakPolarHBondContact CA-O 3.35Å
29V98.4Very high94.2Very high0 Ų037 Ų370%020%0.199CC..EExtended strand (participates in β ladder)trans-99.5125.6163.9-177.90000107.6F6 S7 V8 L42 I44 L78 V95 Y96 F98 A124F6-V29 HydrophobicContact CD2-CG1 4.15Å; F6-V29 HydrophobicContact CE2-CG1 3.39Å; F6-V29 HydrophobicContact CZ-CG1 3.98Å; S7-V29 WeakPolarHBondContact O-CA 3.4Å; V8-V29 HydrophobicContact CG2-CG2 4.2Å; V29-L42 HydrophobicContact CG1-CD1 4.41Å; V29-I44 HydrophobicContact CG2-CB 4.35Å; V29-I44 HydrophobicContact CG2-CD1 3.99Å; V29-I44 HydrophobicContact CG2-CG1 4.45Å; V29-L78 HydrophobicContact CB-CD1 4.05Å; V29-L78 HydrophobicContact CG2-CD1 3.51Å; V29-V95 WeakPolarHBondContact O-CA 3.5Å; V29-Y96 PolarHBondContact N-O 2.78Å; V29-Y96 PolarHBondContact O-N 2.94Å; V29-F98 HydrophobicContact CG2-CD1 4.04Å; V29-F98 HydrophobicContact CG2-CE1 4.16Å; V29-A124 HydrophobicContact CG1-CB 3.85Å; V29-A124 HydrophobicContact CG2-CB 3.91Å
30T97.9Very high94Very high5 Ų540.4 Ų40.43%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-107.3128.9176.9-53.60000109.2F6 S7 R93 H94 V95F6-T30 WeakPolarHBondContact CA-O 3.41Å; S7-T30 PolarHBondContact N-O 2.94Å; S7-T30 PolarHBondContact O-N 2.86Å; T30-R93 HydrophobicContact CG2-CG 4.03Å; T30-H94 WeakPolarHBondContact CA-O 3.31Å; T30-V95 HydrophobicContact CG2-CG2 4.46Å
31L96.3Very high94Very high0 Ų041.1 Ų41.10%022%0.22CC..EExtended strand (participates in β ladder)trans-124.5124.1175.1173.963000109.5V3 H5 F6 I89 H94 Y96 L126V3-L31 HydrophobicContact CB-CD1 4.37Å; V3-L31 HydrophobicContact CG1-CD1 3.54Å; V3-L31 HydrophobicContact CG2-CD1 4Å; H5-L31 CarbonylContact O-C 3.57Å; H5-L31 WeakPolarHBondContact O-CA 3.42Å; F6-L31 HydrophobicContact CB-CD1 4.44Å; F6-L31 HydrophobicContact CD2-CB 4.17Å; F6-L31 HydrophobicContact CD2-CD1 3.94Å; L31-I89 HydrophobicContact CD2-CD1 3.54Å; L31-I89 HydrophobicContact CD2-CG2 4.28Å; L31-H94 HydrophobicContact CB-CB 4.45Å; L31-H94 PolarHBondContact N-O 2.7Å; L31-H94 PolarHBondContact O-N 3.47Å; L31-Y96 HydrophobicContact CB-CE2 4.42Å; L31-L126 HydrophobicContact CD1-CD2 3.86Å; L31-L126 HydrophobicContact CD2-CD1 4.32Å; L31-L126 HydrophobicContact CD2-CD2 3.79Å
32E96.1Very high94.1Very high73 Ų7339.5 Ų39.534%0.34121%0.207SC..EExtended strand (participates in β ladder)trans-111.1116.2171.6-165.4-173.7147.800109.9K4 H5 G92K4-E32 HydrophobicContact CB-CB 4.41Å; K4-E32 HydrophobicContact CB-CG 4.45Å; K4-E32 PolarHBondContact N-O 2.78Å; H5-E32 HydrophobicContact CB-CB 3.82Å; H5-E32 PolarHBondContact N-O 2.97Å; H5-E32 PolarHBondContact O-N 2.84Å; E32-G92 WeakPolarHBondContact CA-O 3.33Å
33A94.2Very high94.2Very high3 Ų339.4 Ų39.43%0.02520%0.201CC..EExtended strand (participates in β ladder)trans-104.7131.6178.300000110.3A2 I89 P91 G92A2-A33 WeakPolarHBondContact O-CA 3.3Å; A33-I89 HydrophobicContact CB-CG2 4.3Å; A33-P91 WeakPolarHBondContact O-CA 3.24Å; A33-G92 PolarHBondContact N-O 3.22Å; A33-G92 PolarHBondContact O-N 2.9Å
34S92.8Very high94.3Very high41 Ų4137.9 Ų37.929%0.28719%0.193SC..SBendtrans-85.7-20.7175.959.20000113.8M1 A2M1-S34 PolarHBondContact O-OG 2.84Å; M1-S34 VanDerWaalsContact O-OG 3.05Å; A2-S34 PolarHBondContact O-N 3.45Å; A2-S34 PolarHBondContact O-OG 3.23Å
35K91.8Very high94.4Very high147 Ų14736.8 Ų36.864%0.63918%0.183SC*.SBendtrans-148.3164.4-176.8-61.6-172.6-179.4-172.30108.1T37K35-T37 PolarHBondContact O-N 2.77Å; K35-T37 PolarHBondContact O-OG1 2.79Å
36E90.3Very high94.5Very high136 Ų13636.9 Ų36.964%0.63618%0.183SC*.  trans-48.9129.3169.1-74.8-177.1179.700110.9I88 I89E36-I88 HydrophobicContact CB-CG2 3.59Å; E36-I88 HydrophobicContact CG-CG2 3.81Å; E36-I89 WeakPolarHBondContact CA-O 3.27Å
37T87.3Confident94.5Very high1 Ų137 Ų371%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-132.6119.9-170-68.80000109.4V3 K35 I89 R128V3-T37 HydrophobicContact CG2-CG2 4.3Å; K35-T37 PolarHBondContact O-N 2.77Å; K35-T37 PolarHBondContact O-OG1 2.79Å; T37-I89 PolarHBondContact N-O 3.28Å; T37-I89 PolarHBondContact O-N 2.91Å; T37-R128 HydrophobicContact CG2-CG 4.22Å
38S86.6Confident94.6Very high36 Ų3636.6 Ų36.625%0.25217%0.174SC..EExtended strand (participates in β ladder)trans-58.8141.6175.3690000111.6R128S38-R128 WeakPolarHBondContact O-CA 3.39Å; S38-R128 VanDerWaalsContact O-CB 3.3Å; S38-R128 WeakPolarHBondContact O-CB 3.45Å; S38-R128 WeakPolarHBondContact O-CG 3.47Å; S38-R128 PolarHBondContact OG-O 3.12Å
39L88.1Confident94.6Very high3 Ų332.5 Ų32.52%0.01616%0.16CC..  trans-128.5123.3177.2176.768.2000109.9L42 Q79 E87 I89 L126L39-L42 HydrophobicContact CD1-CB 4.21Å; L39-Q79 HydrophobicContact CD2-CB 3.96Å; L39-Q79 HydrophobicContact CD2-CG 3.27Å; L39-E87 HydrophobicContact CB-CG 4.28Å; L39-E87 HydrophobicContact CD2-CG 4.18Å; L39-E87 PolarHBondContact N-O 2.81Å; L39-I89 HydrophobicContact CB-CD1 3.83Å; L39-I89 HydrophobicContact CB-CG1 3.98Å; L39-I89 HydrophobicContact CD1-CD1 3.88Å; L39-I89 HydrophobicContact CD2-CD1 4Å; L39-I89 HydrophobicContact CD2-CG1 4.05Å; L39-I89 HydrophobicContact CG-CD1 4.12Å; L39-I89 HydrophobicContact CG-CG1 4.48Å; L39-L126 HydrophobicContact CD1-CD1 3.24Å
40Q90.6Very high94.6Very high72 Ų7232.5 Ų32.534%0.33616%0.16SC..SBendtrans-99.2-47167.8-169.6178.49.400110.9G81 I127Q40-G81 WeakPolarHBondContact O-CA 3.4Å; Q40-G81 PolarHBondContact O-N 2.78Å; Q40-I127 WeakPolarHBondContact CA-O 3.48Å; Q40-I127 HydrophobicContact CB-CB 4.46Å; Q40-I127 HydrophobicContact CB-CG2 4.07Å; Q40-I127 WeakPolarHBondContact CB-O 3.32Å; Q40-I127 PolarHBondContact N-O 3.03Å
41S93.1Very high94.6Very high22 Ų2234.5 Ų34.515%0.15417%0.169CC..EExtended strand (participates in β ladder)trans-161.7147.9173.154.20000111.4Q79 I127S41-Q79 WeakPolarHBondContact CA-O 3.18Å; S41-I127 PolarHBondContact N-O 2.86Å; S41-I127 VanDerWaalsContact N-O 3.15Å; S41-I127 PolarHBondContact O-N 2.84Å
42L95.4Very high94.7Very high0 Ų034.7 Ų34.70%017%0.17CC..EExtended strand (participates in β ladder)trans-121.1120.5169.5175.463.3000108.1F6 V29 L39 L78 Q79 Y96 L126F6-L42 HydrophobicContact CE2-CD1 3.89Å; F6-L42 HydrophobicContact CZ-CD1 3.74Å; V29-L42 HydrophobicContact CG1-CD1 4.41Å; L39-L42 HydrophobicContact CD1-CB 4.21Å; L42-L78 HydrophobicContact CD2-CB 4.16Å; L42-L78 HydrophobicContact CD2-CD1 4.34Å; L42-L78 HydrophobicContact CG-CB 4.09Å; L42-L78 HydrophobicContact CG-CD1 4.24Å; L42-L78 PolarHBondContact O-N 3.32Å; L42-Q79 HydrophobicContact CB-CB 4.12Å; L42-Q79 PolarHBondContact N-O 3.24Å; L42-Q79 PolarHBondContact O-N 3.32Å; L42-Y96 HydrophobicContact CD2-CD1 4Å; L42-Y96 HydrophobicContact CD2-CD2 3.36Å; L42-Y96 HydrophobicContact CD2-CE1 4.14Å; L42-Y96 HydrophobicContact CD2-CE2 3.5Å; L42-Y96 HydrophobicContact CD2-CG 3.62Å; L42-L126 HydrophobicContact CB-CD1 4.25Å; L42-L126 HydrophobicContact CD1-CB 3.98Å; L42-L126 HydrophobicContact CD1-CD1 4.22Å
43F97.1Very high94.8Very high20 Ų2038 Ų389%0.08818%0.183CC..EExtended strand (participates in β ladder)trans-131.3152.1174.555.4-96.5000112.1K45 Q75 I76 L77 A124 K125 I127F43-K45 HydrophobicContact CD2-CD 4.39Å; F43-K45 HydrophobicContact CD2-CG 4.1Å; F43-K45 HydrophobicContact CE2-CD 4.3Å; F43-K45 HydrophobicContact CE2-CG 4.46Å; F43-Q75 HydrophobicContact CB-CG 4.38Å; F43-I76 VanDerWaalsContact CA-O 3.26Å; F43-I76 WeakPolarHBondContact CA-O 3.25Å; F43-I76 VanDerWaalsContact CB-O 3.27Å; F43-I76 WeakPolarHBondContact CB-O 3.43Å; F43-L77 HydrophobicContact CB-CD1 4.46Å; F43-A124 CarbonylContact O-C 3.45Å; F43-A124 WeakPolarHBondContact O-CA 3.38Å; F43-K125 HydrophobicContact CD2-CB 4.11Å; F43-K125 HydrophobicContact CD2-CG 4.42Å; F43-K125 HydrophobicContact CE1-CB 4.2Å; F43-K125 HydrophobicContact CE2-CB 3.49Å; F43-K125 VanDerWaalsContact CE2-CB 3.49Å; F43-K125 HydrophobicContact CE2-CD 3.6Å; F43-K125 HydrophobicContact CE2-CG 3.59Å; F43-K125 HydrophobicContact CZ-CB 3.58Å; F43-K125 HydrophobicContact CZ-CD 3.64Å; F43-K125 HydrophobicContact CZ-CG 3.98Å; F43-K125 PolarHBondContact N-O 2.96Å; F43-K125 PolarHBondContact O-N 2.86Å; F43-I127 HydrophobicContact CE1-CD1 3.6Å; F43-I127 HydrophobicContact CE1-CG1 3.98Å; F43-I127 HydrophobicContact CZ-CD1 4.21Å
44I98.5Very high94.9Very high0 Ų038.2 Ų38.20%018%0.184CC..EExtended strand (participates in β ladder)trans-113.2141.8172-175.872.5000109V8 V29 Q75 I76 L78 F98 F100 L122 A124V8-I44 HydrophobicContact CG1-CD1 3.79Å; V8-I44 HydrophobicContact CG2-CD1 3.94Å; V29-I44 HydrophobicContact CG2-CB 4.35Å; V29-I44 HydrophobicContact CG2-CD1 3.99Å; V29-I44 HydrophobicContact CG2-CG1 4.45Å; I44-Q75 WeakPolarHBondContact O-CA 3.43Å; I44-I76 HydrophobicContact CG2-CB 3.93Å; I44-I76 PolarHBondContact N-O 3.25Å; I44-I76 PolarHBondContact O-N 2.98Å; I44-L78 HydrophobicContact CB-CD1 3.88Å; I44-L78 HydrophobicContact CB-CG 4.39Å; I44-L78 HydrophobicContact CG2-CD1 3.78Å; I44-L78 HydrophobicContact CG2-CD2 3.83Å; I44-L78 HydrophobicContact CG2-CG 3.83Å; I44-F98 HydrophobicContact CD1-CE1 4.46Å; I44-F98 HydrophobicContact CG1-CD1 4.19Å; I44-F98 HydrophobicContact CG1-CE1 4.33Å; I44-F98 HydrophobicContact CG1-CG 4.32Å; I44-F98 HydrophobicContact CG2-CB 3.96Å; I44-F98 HydrophobicContact CG2-CD1 4.46Å; I44-F98 HydrophobicContact CG2-CG 4.16Å; I44-F100 HydrophobicContact CB-CE2 4.34Å; I44-F100 HydrophobicContact CG1-CE2 3.81Å; I44-F100 HydrophobicContact CG1-CZ 4.45Å; I44-F100 HydrophobicContact CG2-CE2 3.75Å; I44-F100 HydrophobicContact CG2-CZ 3.87Å; I44-L122 HydrophobicContact CD1-CB 4.28Å; I44-A124 HydrophobicContact CD1-CB 3.8Å
45K98.4Very high95Very high38 Ų3840.3 Ų40.317%0.16519%0.194CC..EExtended strand (participates in β ladder)trans-124.7135.1174.5-61.1-170.6-179-154.10110.5F43 K47 L74 Q75 L122 K123F43-K45 HydrophobicContact CD2-CD 4.39Å; F43-K45 HydrophobicContact CD2-CG 4.1Å; F43-K45 HydrophobicContact CE2-CD 4.3Å; F43-K45 HydrophobicContact CE2-CG 4.46Å; K45-K47 HydrophobicContact CB-CG 4.38Å; K45-L74 CarbonylContact C-O 3.57Å; K45-L74 WeakPolarHBondContact CA-O 3.3Å; K45-L74 WeakPolarHBondContact CB-O 3.49Å; K45-Q75 HydrophobicContact CG-CB 4.06Å; K45-Q75 HydrophobicContact CG-CG 4.06Å; K45-L122 CarbonylContact O-C 3.6Å; K45-L122 VanDerWaalsContact O-CA 3.29Å; K45-L122 WeakPolarHBondContact O-CA 3.43Å; K45-K123 PolarHBondContact N-O 3.18Å; K45-K123 PolarHBondContact O-N 2.94Å
46A98.4Very high95Very high1 Ų135.3 Ų35.31%0.00817%0.174CC..EExtended strand (participates in β ladder)trans-100.5131.1164.200000109F72 S73 L74 F100 L122A46-F72 VanDerWaalsContact C-CE2 3.43Å; A46-F72 HydrophobicContact CB-CE2 3.85Å; A46-F72 WeakPolarHBondContact O-CE2 3.4Å; A46-S73 CarbonylContact O-C 3.46Å; A46-S73 WeakPolarHBondContact O-CA 3.42Å; A46-L74 HydrophobicContact CB-CB 4.43Å; A46-L74 PolarHBondContact N-O 3.23Å; A46-L74 PolarHBondContact O-N 2.95Å; A46-F100 HydrophobicContact CB-CB 4.34Å; A46-F100 HydrophobicContact CB-CD1 4.1Å; A46-F100 HydrophobicContact CB-CD2 3.77Å; A46-F100 HydrophobicContact CB-CE1 4.32Å; A46-F100 HydrophobicContact CB-CE2 4.02Å; A46-F100 HydrophobicContact CB-CG 3.81Å; A46-F100 HydrophobicContact CB-CZ 4.28Å; A46-L122 HydrophobicContact CB-CD2 3.72Å
47K98.5Very high94.9Very high56 Ų5635.4 Ų35.424%0.24318%0.178CC..EExtended strand (participates in β ladder)trans-138.9136.9-175.6-65.5-170.9173.1-158.50111.5K45 F72 S73 Y120 Y121K45-K47 HydrophobicContact CB-CG 4.38Å; K47-F72 WeakPolarHBondContact CA-O 3.49Å; K47-S73 WeakPolarHBondContact CE-OG 3.2Å; K47-Y120 CarbonylContact O-C 3.58Å; K47-Y120 VanDerWaalsContact O-CA 3.3Å; K47-Y120 WeakPolarHBondContact O-CA 3.37Å; K47-Y121 HydrophobicContact CB-CD1 4.28Å; K47-Y121 HydrophobicContact CB-CD2 4.43Å; K47-Y121 HydrophobicContact CB-CE1 3.75Å; K47-Y121 HydrophobicContact CB-CE2 3.97Å; K47-Y121 HydrophobicContact CD-CE2 3.97Å; K47-Y121 VanDerWaalsContact CD-OH 3.31Å; K47-Y121 WeakPolarHBondContact CD-OH 3.47Å; K47-Y121 HydrophobicContact CG-CE2 4.31Å; K47-Y121 PolarHBondContact N-O 3.05Å; K47-Y121 PolarHBondContact O-N 3.27Å
48G98.3Very high94.6Very high1 Ų139.4 Ų39.41%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-120.1130.2167.300000110.3Y71 F72G48-Y71 PolarHBondContact O-N 2.88Å; G48-F72 PolarHBondContact N-O 2.97Å; G48-F72 PolarHBondContact O-N 2.85Å
49K98.2Very high94.5Very high27 Ų2741.3 Ų41.312%0.11722%0.223CC..EExtended strand (participates in β ladder)trans-154.1150.9179.864179.4-172.1168.80112.7E51 K69 I118 T119 Y121K49-E51 HydrophobicContact CD-CG 4.17Å; K49-E51 WeakPolarHBondContact CD-OE1 3.37Å; K49-E51 WeakPolarHBondContact CE-OE1 3.46Å; K49-E51 WeakPolarHBondContact CE-OE2 3.5Å; K49-E51 IonicContact NZ-OE1 2.62Å; K49-E51 PolarHBondContact NZ-OE1 2.64Å; K49-E51 IonicContact NZ-OE2 3.87Å; K49-E51 PolarHBondContact NZ-OE2 3.11Å; K49-K69 CarbonylContact C-O 3.52Å; K49-K69 WeakPolarHBondContact CA-O 3.32Å; K49-K69 WeakPolarHBondContact CB-O 3.34Å; K49-I118 WeakPolarHBondContact O-CA 3.31Å; K49-T119 PolarHBondContact N-O 2.91Å; K49-T119 PolarHBondContact O-N 3.05Å; K49-Y121 HydrophobicContact CD-CE1 4.08Å; K49-Y121 HydrophobicContact CG-CE1 4.27Å
50A98.4Very high94.3Very high0 Ų050.4 Ų50.40%027%0.265CS..EExtended strand (participates in β ladder)trans-100.6140.2161.200000109.9K68 K69 Y71 K117 I118 I261A50-K68 WeakPolarHBondContact O-CA 3.19Å; A50-K69 HydrophobicContact CB-CB 4.31Å; A50-K69 PolarHBondContact N-O 2.91Å; A50-K69 PolarHBondContact O-N 3.49Å; A50-Y71 HydrophobicContact CB-CE2 3.94Å; A50-K117 CarbonylContact C-O 3.54Å; A50-K117 VanDerWaalsContact CA-O 3.31Å; A50-K117 WeakPolarHBondContact CA-O 3.43Å; A50-I118 HydrophobicContact CB-CG1 3.8Å; A50-I261 HydrophobicContact CB-CD1 3.8Å; A50-I261 HydrophobicContact CB-CG1 3.95Å
51E98.4Very high94.2Very high47 Ų4752.8 Ų52.822%0.2228%0.28CS..EExtended strand (participates in β ladder)trans-136.3133.3174-72.5176.8154.200108.9K49 G67 K68 G116 K117K49-E51 HydrophobicContact CD-CG 4.17Å; K49-E51 WeakPolarHBondContact CD-OE1 3.37Å; K49-E51 WeakPolarHBondContact CE-OE1 3.46Å; K49-E51 WeakPolarHBondContact CE-OE2 3.5Å; K49-E51 IonicContact NZ-OE1 2.62Å; K49-E51 PolarHBondContact NZ-OE1 2.64Å; K49-E51 IonicContact NZ-OE2 3.87Å; K49-E51 PolarHBondContact NZ-OE2 3.11Å; E51-G67 WeakPolarHBondContact CA-O 3.38Å; E51-K68 HydrophobicContact CG-CB 4.33Å; E51-K68 HydrophobicContact CG-CD 4.24Å; E51-K68 HydrophobicContact CG-CG 3.95Å; E51-K68 VanDerWaalsContact OE1-CE 3.28Å; E51-K68 WeakPolarHBondContact OE1-CE 3.45Å; E51-K68 IonicContact OE1-NZ 3.12Å; E51-K68 PolarHBondContact OE1-NZ 2.89Å; E51-G116 CarbonylContact O-C 3.56Å; E51-G116 WeakPolarHBondContact O-CA 3.17Å; E51-K117 PolarHBondContact N-O 2.69Å; E51-K117 PolarHBondContact O-N 2.87Å
52V98.4Very high94.1Very high4 Ų455.8 Ų55.82%0.02430%0.299CS..EExtended strand (participates in β ladder)trans-125.1143172-570000109.2W54 S66 G67 W115 F213 F214 A215 I261 L262V52-W54 HydrophobicContact CB-CZ3 4.32Å; V52-W54 HydrophobicContact CG2-CZ3 3.86Å; V52-S66 CarbonylContact O-C 3.56Å; V52-S66 VanDerWaalsContact O-CA 3.23Å; V52-S66 WeakPolarHBondContact O-CA 3.36Å; V52-G67 PolarHBondContact N-O 3.28Å; V52-G67 PolarHBondContact O-N 3.29Å; V52-W115 CarbonylContact C-O 3.48Å; V52-W115 VanDerWaalsContact CA-O 3.26Å; V52-W115 WeakPolarHBondContact CA-O 3.35Å; V52-F213 HydrophobicContact CB-CB 4.37Å; V52-F213 HydrophobicContact CB-CD1 4.23Å; V52-F213 HydrophobicContact CG1-CB 4.41Å; V52-F213 HydrophobicContact CG1-CD1 3.87Å; V52-F214 WeakPolarHBondContact CG2-O 3.36Å; V52-A215 HydrophobicContact CG2-CB 4.31Å; V52-I261 HydrophobicContact CG1-CD1 4.3Å; V52-I261 HydrophobicContact CG1-CG1 4.27Å; V52-I261 WeakPolarHBondContact CG1-O 3.29Å; V52-I261 HydrophobicContact CG2-CD1 4.37Å; V52-L262 HydrophobicContact CG1-CB 4.06Å
53K97.4Very high94Very high144 Ų14457.9 Ų57.963%0.62631%0.312SS*.EExtended strand (participates in β ladder)trans-155.8127.7176.5-174.8179.1178.4-1760110.6Y65 W115K53-Y65 VanDerWaalsContact CA-O 3.26Å; K53-Y65 WeakPolarHBondContact CA-O 3.35Å; K53-W115 PolarHBondContact N-O 2.83Å; K53-W115 WeakPolarHBondContact O-CB 3.3Å
54W96.8Very high93.9Very high7 Ų759.4 Ų59.43%0.02733%0.328CS..EExtended strand (participates in β ladder)trans-146.8171172.270.998000110.3V52 E56 Y65 W115 F213 A215 K218 N220V52-W54 HydrophobicContact CB-CZ3 4.32Å; V52-W54 HydrophobicContact CG2-CZ3 3.86Å; W54-E56 PolarHBondContact NE1-OE1 3.1Å; W54-Y65 AromaticContact CE2-CG 3.82Å; W54-Y65 HydrophobicContact CZ2-CD1 4.4Å; W54-Y65 HydrophobicContact CZ2-CD2 4.49Å; W54-Y65 AromaticContact CZ2-CG 3.92Å; W54-Y65 HydrophobicContact CZ2-CG 3.92Å; W54-Y65 PolarHBondContact N-O 3.23Å; W54-Y65 AromaticContact NE1-CD2 3.58Å; W54-Y65 AromaticContact NE1-CG 3.84Å; W54-Y65 PolarHBondContact O-N 3.43Å; W54-Y65 VanDerWaalsContact O-O 3.11Å; W54-W115 HydrophobicContact CB-CB 4.06Å; W54-W115 HydrophobicContact CB-CD2 4.08Å; W54-W115 HydrophobicContact CB-CG 3.81Å; W54-F213 HydrophobicContact CE3-CB 4Å; W54-F213 HydrophobicContact CH2-CB 4.29Å; W54-F213 HydrophobicContact CZ3-CB 3.69Å; W54-A215 HydrophobicContact CH2-CB 3.45Å; W54-A215 VanDerWaalsContact CH2-CB 3.45Å; W54-A215 HydrophobicContact CZ2-CB 4.34Å; W54-A215 HydrophobicContact CZ3-CB 3.61Å; W54-K218 HydrophobicContact CZ2-CB 4.29Å; W54-N220 HydrophobicContact CD2-CB 4.03Å; W54-N220 HydrophobicContact CG-CB 4.3Å; W54-N220 HydrophobicContact CH2-CB 4.47Å; W54-N220 HydrophobicContact CZ2-CB 3.84Å; W54-N220 PolarHBondContact NE1-ND2 2.79Å
55T94.6Very high93.8Very high84 Ų8460.1 Ų60.152%0.51533%0.331SS..EExtended strand (participates in β ladder)trans-128.6135.6178.3-56.90000108.3P62 V63T55-P62 HydrophobicContact CG2-CB 3.62Å; T55-V63 WeakPolarHBondContact CA-O 3.26Å
56E91.6Very high93.8Very high43 Ų4361.7 Ų61.720%0.20135%0.346CS..EExtended strand (participates in β ladder)trans-119146.6172.6-66.8174-167.500109.2W54 E58 P62 V63 Y65 K218 N220W54-E56 PolarHBondContact NE1-OE1 3.1Å; E56-E58 PolarHBondContact O-N 3.49Å; E56-P62 WeakPolarHBondContact O-CA 3.37Å; E56-V63 PolarHBondContact N-O 3.03Å; E56-V63 PolarHBondContact O-N 2.89Å; E56-Y65 HydrophobicContact CB-CE2 4.12Å; E56-Y65 HydrophobicContact CG-CD2 4.38Å; E56-Y65 HydrophobicContact CG-CE2 4.29Å; E56-K218 IonicContact OE2-NZ 3.09Å; E56-N220 PolarHBondContact OE1-ND2 3.38Å
57N88.1Confident93.7Very high138 Ų13862.4 Ų62.474%0.73835%0.354SS*.EExtended strand (participates in β ladder)trans-87.2107.9173.4-66.8-23.2000108.3
58E82.9Confident93.7Very high84 Ų8465.2 Ų65.239%0.39337%0.366SS..EExtended strand (participates in β ladder)trans-105.793173.4-67.4-172.3179.600108.4E56 N61 V63 Y65 K218E56-E58 PolarHBondContact O-N 3.49Å; E58-N61 PolarHBondContact N-O 3.39Å; E58-V63 HydrophobicContact CB-CG2 3.96Å; E58-V63 HydrophobicContact CG-CG2 4.2Å; E58-Y65 PolarHBondContact OE1-OH 3.25Å; E58-K218 IonicContact OE1-NZ 3.89Å; E58-K218 PolarHBondContact OE1-NZ 2.86Å
59G83.7Confident93.6Very high77 Ų7768.4 Ų68.479%0.79438%0.38SS*.THydrogen-bonded Turntrans71.3-128.4-17300000111.9
60Q83.9Confident93.6Very high194 Ų19474.6 Ų74.691%0.90741%0.406SS*.THydrogen-bonded Turntrans-85-12.3-178.9-69-177.7-8.500113.8
61N88.9Confident93.5Very high121 Ų12175.4 Ų75.465%0.64741%0.41SS*.EExtended strand (participates in β ladder)trans-115.9129.5-173.9-70.2-38.9000111.8E58 V63E58-N61 PolarHBondContact N-O 3.39Å; N61-V63 PolarHBondContact O-N 2.78Å
62P91.1Very high93.5Very high85 Ų8573.9 Ų73.955%0.55240%0.402SS*.EExtended strand (participates in β ladder)trans-71.7129.3172.727.6-31.7000110.7T55 E56T55-P62 HydrophobicContact CG2-CB 3.62Å; E56-P62 WeakPolarHBondContact O-CA 3.37Å
63V93.6Very high93.4Very high45 Ų4576.9 Ų76.927%0.27342%0.424SS..EExtended strand (participates in β ladder)trans-105.1122.3177.2-178.30000109.4T55 E56 E58 N61 Y65T55-V63 WeakPolarHBondContact CA-O 3.26Å; E56-V63 PolarHBondContact N-O 3.03Å; E56-V63 PolarHBondContact O-N 2.89Å; E58-V63 HydrophobicContact CB-CG2 3.96Å; E58-V63 HydrophobicContact CG-CG2 4.2Å; N61-V63 PolarHBondContact O-N 2.78Å; V63-Y65 HydrophobicContact CB-CE2 4.05Å; V63-Y65 HydrophobicContact CG1-CD2 4.38Å; V63-Y65 HydrophobicContact CG1-CE1 4.46Å; V63-Y65 HydrophobicContact CG1-CE2 3.74Å
64A94.8Very high93.5Very high51 Ų5172.8 Ų72.842%0.42141%0.408SS..EExtended strand (participates in β ladder)trans-89.3123.4177.600000111.8
65Y96.6Very high93.5Very high16 Ų1677.5 Ų77.56%0.06343%0.431CS..EExtended strand (participates in β ladder)trans-103.2134.2174-67.4-83.3000109.3K53 W54 E56 E58 V63 K216 K218K53-Y65 VanDerWaalsContact CA-O 3.26Å; K53-Y65 WeakPolarHBondContact CA-O 3.35Å; W54-Y65 AromaticContact CE2-CG 3.82Å; W54-Y65 HydrophobicContact CZ2-CD1 4.4Å; W54-Y65 HydrophobicContact CZ2-CD2 4.49Å; W54-Y65 AromaticContact CZ2-CG 3.92Å; W54-Y65 HydrophobicContact CZ2-CG 3.92Å; W54-Y65 PolarHBondContact N-O 3.23Å; W54-Y65 AromaticContact NE1-CD2 3.58Å; W54-Y65 AromaticContact NE1-CG 3.84Å; W54-Y65 PolarHBondContact O-N 3.43Å; W54-Y65 VanDerWaalsContact O-O 3.11Å; E56-Y65 HydrophobicContact CB-CE2 4.12Å; E56-Y65 HydrophobicContact CG-CD2 4.38Å; E56-Y65 HydrophobicContact CG-CE2 4.29Å; E58-Y65 PolarHBondContact OE1-OH 3.25Å; V63-Y65 HydrophobicContact CB-CE2 4.05Å; V63-Y65 HydrophobicContact CG1-CD2 4.38Å; V63-Y65 HydrophobicContact CG1-CE1 4.46Å; V63-Y65 HydrophobicContact CG1-CE2 3.74Å; Y65-K216 HydrophobicContact CD1-CB 4.27Å; Y65-K216 HydrophobicContact CD1-CD 4.33Å; Y65-K218 HydrophobicContact CD1-CB 4.16Å; Y65-K218 HydrophobicContact CD1-CG 4.38Å; Y65-K218 HydrophobicContact CE1-CB 3.97Å; Y65-K218 HydrophobicContact CE1-CD 3.94Å; Y65-K218 HydrophobicContact CE1-CG 3.69Å; Y65-K218 HydrophobicContact CE2-CD 4.49Å; Y65-K218 WeakPolarHBondContact OH-CD 3.38Å; Y65-K218 VanDerWaalsContact OH-CE 3.3Å; Y65-K218 WeakPolarHBondContact OH-CE 3.44Å; Y65-K218 PolarHBondContact OH-NZ 2.91Å
66S97.1Very high93.6Very high71 Ų7176.1 Ų76.150%0.49742%0.419SS..EExtended strand (participates in β ladder)trans-149.5144.1174.165.40000111.6V52 A215V52-S66 CarbonylContact O-C 3.56Å; V52-S66 VanDerWaalsContact O-CA 3.23Å; V52-S66 WeakPolarHBondContact O-CA 3.36Å; S66-A215 VanDerWaalsContact C-CB 3.5Å; S66-A215 WeakPolarHBondContact O-CB 3.49Å
67G97.2Very high93.9Very high16 Ų1677.9 Ų77.917%0.16543%0.43CS..EExtended strand (participates in β ladder)trans-137146.5179.400000110E51 V52E51-G67 WeakPolarHBondContact CA-O 3.38Å; V52-G67 PolarHBondContact N-O 3.28Å; V52-G67 PolarHBondContact O-N 3.29Å
68K97.6Very high94.2Very high114 Ų11472.8 Ų72.850%0.49640%0.402SS..EExtended strand (participates in β ladder)trans-143.5126.6179.6178.8171.5-175.5148.60110.6A50 E51A50-K68 WeakPolarHBondContact O-CA 3.19Å; E51-K68 HydrophobicContact CG-CB 4.33Å; E51-K68 HydrophobicContact CG-CD 4.24Å; E51-K68 HydrophobicContact CG-CG 3.95Å; E51-K68 VanDerWaalsContact OE1-CE 3.28Å; E51-K68 WeakPolarHBondContact OE1-CE 3.45Å; E51-K68 IonicContact OE1-NZ 3.12Å; E51-K68 PolarHBondContact OE1-NZ 2.89Å
69K97.3Very high94.7Very high69 Ų6972 Ų7230%0.340%0.399SS..EExtended strand (participates in β ladder)trans-119.1122.4173.3-177169.2-176.81800109K49 A50 Y71 S260 I261K49-K69 CarbonylContact C-O 3.52Å; K49-K69 WeakPolarHBondContact CA-O 3.32Å; K49-K69 WeakPolarHBondContact CB-O 3.34Å; A50-K69 HydrophobicContact CB-CB 4.31Å; A50-K69 PolarHBondContact N-O 2.91Å; A50-K69 PolarHBondContact O-N 3.49Å; K69-Y71 HydrophobicContact CD-CE1 3.98Å; K69-Y71 HydrophobicContact CG-CE1 4.2Å; K69-S260 VanDerWaalsContact CD-OG 3.3Å; K69-S260 WeakPolarHBondContact CD-OG 3.41Å; K69-S260 PolarHBondContact NZ-OG 3.45Å; K69-I261 HydrophobicContact CB-CD1 3.94Å; K69-I261 HydrophobicContact CB-CG1 4.31Å
70K97.5Very high95Very high156 Ų15675 Ų7568%0.67839%0.392SS*.EExtended strand (participates in β ladder)trans-92.6127.5174.6-63.9174-173.5164.90108
71Y96.6Very high94.9Very high18 Ų1866.1 Ų66.17%0.07135%0.353CS..EExtended strand (participates in β ladder)trans-89-48.1172.7-65-68.9000110.5G48 A50 K69 K105 M107 P108 I118 C259G48-Y71 PolarHBondContact O-N 2.88Å; A50-Y71 HydrophobicContact CB-CE2 3.94Å; K69-Y71 HydrophobicContact CD-CE1 3.98Å; K69-Y71 HydrophobicContact CG-CE1 4.2Å; Y71-K105 VanDerWaalsContact O-CE 3.23Å; Y71-K105 WeakPolarHBondContact O-CE 3.07Å; Y71-K105 PolarHBondContact O-NZ 2.84Å; Y71-M107 HydrophobicContact CD1-CB 4.37Å; Y71-M107 HydrophobicContact CD1-CG 4.25Å; Y71-M107 HydrophobicContact CG-CB 4.41Å; Y71-M107 HydrophobicContact CG-CG 4.31Å; Y71-P108 HydrophobicContact CD2-CG 4.42Å; Y71-P108 VanDerWaalsContact CE1-CD 3.43Å; Y71-P108 HydrophobicContact CE1-CG 4.05Å; Y71-P108 HydrophobicContact CE2-CG 3.56Å; Y71-P108 WeakPolarHBondContact OH-CG 3.33Å; Y71-I118 HydrophobicContact CE2-CG2 4.41Å; Y71-C259 PolarHBondContact OH-SG 2.68Å
72F97.6Very high94.2Very high15 Ų1567.5 Ų67.57%0.06635%0.353CS..EExtended strand (participates in β ladder)trans-153.1164.3172.469.6-91.1000112.4A46 K47 G48 L74 P103 M107 Y120 F140A46-F72 VanDerWaalsContact C-CE2 3.43Å; A46-F72 HydrophobicContact CB-CE2 3.85Å; A46-F72 WeakPolarHBondContact O-CE2 3.4Å; K47-F72 WeakPolarHBondContact CA-O 3.49Å; G48-F72 PolarHBondContact N-O 2.97Å; G48-F72 PolarHBondContact O-N 2.85Å; F72-L74 HydrophobicContact CD2-CD1 4.38Å; F72-L74 HydrophobicContact CD2-CG 4.04Å; F72-P103 HydrophobicContact CB-CG 3.9Å; F72-P103 HydrophobicContact CD1-CG 4.48Å; F72-P103 HydrophobicContact CG-CG 4.1Å; F72-M107 HydrophobicContact CD1-CE 4.21Å; F72-M107 HydrophobicContact CD1-SD 3.53Å; F72-M107 VanDerWaalsContact CD1-SD 3.53Å; F72-M107 HydrophobicContact CE1-CE 4.19Å; F72-M107 HydrophobicContact CE1-SD 3.96Å; F72-Y120 HydrophobicContact CD1-CE1 4.47Å; F72-Y120 AromaticContact CE1-CD1 3.59Å; F72-Y120 HydrophobicContact CE1-CD1 3.59Å; F72-Y120 AromaticContact CE1-CE1 3.78Å; F72-Y120 HydrophobicContact CE1-CE1 3.78Å; F72-Y120 HydrophobicContact CZ-CD1 4.09Å; F72-F140 HydrophobicContact CZ-CZ 4.27Å
73S97.8Very high92.8Very high67 Ų6766.5 Ų66.547%0.46936%0.358SS..EExtended strand (participates in β ladder)trans-152.292.9172.5174.70000109.3A46 K47A46-S73 CarbonylContact O-C 3.46Å; A46-S73 WeakPolarHBondContact O-CA 3.42Å; K47-S73 WeakPolarHBondContact CE-OG 3.2Å
74L97.8Very high91.6Very high58 Ų5869.8 Ų69.830%0.30437%0.374SS..EExtended strand (participates in β ladder)trans-91.4152.3174.9-55.5175.3000109.7K45 A46 F72 F100 Q101 P103K45-L74 CarbonylContact C-O 3.57Å; K45-L74 WeakPolarHBondContact CA-O 3.3Å; K45-L74 WeakPolarHBondContact CB-O 3.49Å; A46-L74 HydrophobicContact CB-CB 4.43Å; A46-L74 PolarHBondContact N-O 3.23Å; A46-L74 PolarHBondContact O-N 2.95Å; F72-L74 HydrophobicContact CD2-CD1 4.38Å; F72-L74 HydrophobicContact CD2-CG 4.04Å; L74-F100 HydrophobicContact CB-CD1 3.66Å; L74-F100 HydrophobicContact CB-CE1 3.58Å; L74-F100 HydrophobicContact CD1-CD1 4.02Å; L74-Q101 VanDerWaalsContact CD1-O 3.24Å; L74-Q101 WeakPolarHBondContact CD1-O 3.41Å; L74-P103 HydrophobicContact CD1-CG 4.44Å
75Q97.6Very high90.1Very high106 Ų10669.6 Ų69.650%0.49538%0.377SS..EExtended strand (participates in β ladder)trans-142.8138.4179.3176.9-179.5-41.800110F43 I44 K45F43-Q75 HydrophobicContact CB-CG 4.38Å; I44-Q75 WeakPolarHBondContact O-CA 3.43Å; K45-Q75 HydrophobicContact CG-CB 4.06Å; K45-Q75 HydrophobicContact CG-CG 4.06Å
76I97.4Very high88.9Confident55 Ų5571.7 Ų71.728%0.28239%0.394SS..EExtended strand (participates in β ladder)trans-126.4134.9169.9-65.5165000107.8F43 I44 L78 T99 F100F43-I76 VanDerWaalsContact CA-O 3.26Å; F43-I76 WeakPolarHBondContact CA-O 3.25Å; F43-I76 VanDerWaalsContact CB-O 3.27Å; F43-I76 WeakPolarHBondContact CB-O 3.43Å; I44-I76 HydrophobicContact CG2-CB 3.93Å; I44-I76 PolarHBondContact N-O 3.25Å; I44-I76 PolarHBondContact O-N 2.98Å; I76-L78 HydrophobicContact CG2-CD2 3.95Å; I76-T99 WeakPolarHBondContact CD1-O 3.27Å; I76-F100 HydrophobicContact CB-CE1 4.34Å; I76-F100 HydrophobicContact CB-CZ 4.09Å; I76-F100 HydrophobicContact CD1-CD1 3.74Å; I76-F100 HydrophobicContact CD1-CD2 4.35Å; I76-F100 HydrophobicContact CD1-CE1 3.45Å; I76-F100 VanDerWaalsContact CD1-CE1 3.45Å; I76-F100 HydrophobicContact CD1-CE2 4.08Å; I76-F100 HydrophobicContact CD1-CG 4.19Å; I76-F100 HydrophobicContact CD1-CZ 3.63Å; I76-F100 HydrophobicContact CG1-CD1 4.25Å; I76-F100 HydrophobicContact CG1-CE1 3.52Å; I76-F100 HydrophobicContact CG1-CZ 3.75Å
77L96.9Very high88.1Confident79 Ų7970.5 Ų70.541%0.41438%0.381SS..EExtended strand (participates in β ladder)trans-84120.6167.7-175.364.3000107.9F43 E80F43-L77 HydrophobicContact CB-CD1 4.46Å; L77-E80 HydrophobicContact CD2-CB 3.87Å; L77-E80 HydrophobicContact CD2-CG 4.12Å; L77-E80 HydrophobicContact CG-CB 4.43Å
78L95.2Very high87.6Confident31 Ų3173.9 Ų73.916%0.16239%0.394CS..EExtended strand (participates in β ladder)trans-94.9-33.8-176.7-62.6176.9000112.3V29 L42 I44 I76 Y96 F98V29-L78 HydrophobicContact CB-CD1 4.05Å; V29-L78 HydrophobicContact CG2-CD1 3.51Å; L42-L78 HydrophobicContact CD2-CB 4.16Å; L42-L78 HydrophobicContact CD2-CD1 4.34Å; L42-L78 HydrophobicContact CG-CB 4.09Å; L42-L78 HydrophobicContact CG-CD1 4.24Å; L42-L78 PolarHBondContact O-N 3.32Å; I44-L78 HydrophobicContact CB-CD1 3.88Å; I44-L78 HydrophobicContact CB-CG 4.39Å; I44-L78 HydrophobicContact CG2-CD1 3.78Å; I44-L78 HydrophobicContact CG2-CD2 3.83Å; I44-L78 HydrophobicContact CG2-CG 3.83Å; I76-L78 HydrophobicContact CG2-CD2 3.95Å; L78-Y96 HydrophobicContact CB-CD1 4.48Å; L78-F98 HydrophobicContact CD2-CB 3.94Å
79Q92.5Very high87.2Confident69 Ų6968.9 Ų68.932%0.32237%0.373SS..EExtended strand (participates in β ladder)trans-151.6135.7174.7-170.671.517.500108.1L39 S41 L42 Y96L39-Q79 HydrophobicContact CD2-CB 3.96Å; L39-Q79 HydrophobicContact CD2-CG 3.27Å; S41-Q79 WeakPolarHBondContact CA-O 3.18Å; L42-Q79 HydrophobicContact CB-CB 4.12Å; L42-Q79 PolarHBondContact N-O 3.24Å; L42-Q79 PolarHBondContact O-N 3.32Å; Q79-Y96 HydrophobicContact CB-CD1 4.45Å; Q79-Y96 HydrophobicContact CB-CE1 3.97Å; Q79-Y96 HydrophobicContact CG-CE1 4.37Å
80E89.4Confident87Confident138 Ų13868.6 Ų68.665%0.64538%0.379SS*.EExtended strand (participates in β ladder)trans-111.9134.8173.7-165161.4-151.900109L77L77-E80 HydrophobicContact CD2-CB 3.87Å; L77-E80 HydrophobicContact CD2-CG 4.12Å; L77-E80 HydrophobicContact CG-CB 4.43Å
81G82.3Confident86.9Confident9 Ų964.5 Ų64.59%0.09337%0.369CS..  trans-86.9163.6169.400000110.9Q40 G83Q40-G81 WeakPolarHBondContact O-CA 3.4Å; Q40-G81 PolarHBondContact O-N 2.78Å; G81-G83 PolarHBondContact O-N 2.87Å
82K73.7Confident86.8Confident149 Ų14965.2 Ų65.265%0.64838%0.382SS*.  trans-69.211.4-175.9-65.8-179.4-176.2175.80115.6D84K82-D84 WeakPolarHBondContact CB-OD1 3.38Å; K82-D84 PolarHBondContact O-N 2.98Å
83G62Low86.8Confident64 Ų6472 Ų7266%0.6641%0.407SS*.SBendtrans72.5-26.217800000115.3G81 G85G81-G83 PolarHBondContact O-N 2.87Å; G83-G85 VanDerWaalsContact C-N 3.34Å
84D69.7Low86.7Confident114 Ų11470.8 Ų70.861%0.6139%0.394SS*.SBendtrans-84.2-3.1175.865.3-0.4000114K82 S86K82-D84 WeakPolarHBondContact CB-OD1 3.38Å; K82-D84 PolarHBondContact O-N 2.98Å; D84-S86 VanDerWaalsContact C-N 3.3Å; D84-S86 VanDerWaalsContact CG-OG 3.23Å; D84-S86 PolarHBondContact O-N 2.98Å; D84-S86 VanDerWaalsContact OD1-CB 3.25Å; D84-S86 WeakPolarHBondContact OD1-CB 3.23Å; D84-S86 PolarHBondContact OD1-N 2.96Å; D84-S86 PolarHBondContact OD1-OG 2.83Å; D84-S86 PolarHBondContact OD2-OG 2.79Å; D84-S86 VanDerWaalsContact OD2-OG 3.11Å
85G61.9Low86.7Confident47 Ų4771.2 Ų71.249%0.48540%0.399SS..SBendtrans797.1-179.100000114.8G83 E87G83-G85 VanDerWaalsContact C-N 3.34Å; G85-E87 VanDerWaalsContact C-N 3.34Å
86S71.1Confident86.7Confident60 Ų6067.6 Ų67.642%0.4238%0.381SS..  trans-78.8-14.6179.168.10000114.1D84 I88D84-S86 VanDerWaalsContact C-N 3.3Å; D84-S86 VanDerWaalsContact CG-OG 3.23Å; D84-S86 PolarHBondContact O-N 2.98Å; D84-S86 VanDerWaalsContact OD1-CB 3.25Å; D84-S86 WeakPolarHBondContact OD1-CB 3.23Å; D84-S86 PolarHBondContact OD1-N 2.96Å; D84-S86 PolarHBondContact OD1-OG 2.83Å; D84-S86 PolarHBondContact OD2-OG 2.79Å; D84-S86 VanDerWaalsContact OD2-OG 3.11Å; S86-I88 PolarHBondContact O-N 3.39Å
87E81.9Confident86.7Confident47 Ų4769.8 Ų69.822%0.2240%0.399CS..  trans-72.5121178.6-16973.8-172.900109.8L39 G85L39-E87 HydrophobicContact CB-CG 4.28Å; L39-E87 HydrophobicContact CD2-CG 4.18Å; L39-E87 PolarHBondContact N-O 2.81Å; G85-E87 VanDerWaalsContact C-N 3.34Å
88I86.3Confident86.8Confident87 Ų8766.4 Ų66.445%0.44638%0.381SS..EExtended strand (participates in β ladder)trans-120.3130.3-176-64.1170.2000108.9E36 S86E36-I88 HydrophobicContact CB-CG2 3.59Å; E36-I88 HydrophobicContact CG-CG2 3.81Å; S86-I88 PolarHBondContact O-N 3.39Å
89I88.8Confident86.9Confident8 Ų868.6 Ų68.64%0.04140%0.395CS..EExtended strand (participates in β ladder)trans-83.4119.5165.3-65.1160.9000107.8L31 A33 E36 T37 L39 H94 L126L31-I89 HydrophobicContact CD2-CD1 3.54Å; L31-I89 HydrophobicContact CD2-CG2 4.28Å; A33-I89 HydrophobicContact CB-CG2 4.3Å; E36-I89 WeakPolarHBondContact CA-O 3.27Å; T37-I89 PolarHBondContact N-O 3.28Å; T37-I89 PolarHBondContact O-N 2.91Å; L39-I89 HydrophobicContact CB-CD1 3.83Å; L39-I89 HydrophobicContact CB-CG1 3.98Å; L39-I89 HydrophobicContact CD1-CD1 3.88Å; L39-I89 HydrophobicContact CD2-CD1 4Å; L39-I89 HydrophobicContact CD2-CG1 4.05Å; L39-I89 HydrophobicContact CG-CD1 4.12Å; L39-I89 HydrophobicContact CG-CG1 4.48Å; I89-H94 VanDerWaalsContact CG2-CD2 3.4Å; I89-H94 WeakPolarHBondContact CG2-CD2 3.33Å; I89-H94 VanDerWaalsContact CG2-NE2 3.29Å; I89-H94 WeakPolarHBondContact CG2-NE2 3.41Å; I89-L126 HydrophobicContact CD1-CD1 4.09Å
90S92.7Very high87.2Confident63 Ų6365.8 Ų65.844%0.44138%0.382SS..PPolyproline II helixtrans-64.6155.9176.864.70000111.5H94S90-H94 PolarHBondContact O-NE2 3.36Å; S90-H94 PolarHBondContact OG-CE1 2.79Å
91P94.8Very high87.5Confident70 Ų7065.6 Ų65.646%0.45538%0.381SS..SBendtrans-54.6143.9169.5-19.429.6000111.3A33A33-P91 WeakPolarHBondContact O-CA 3.24Å
92G95.4Very high88.2Confident33 Ų3365.2 Ų65.234%0.3438%0.377SS..EExtended strand (participates in β ladder)trans125.4-169-179.800000113.5E32 A33 H94E32-G92 WeakPolarHBondContact CA-O 3.33Å; A33-G92 PolarHBondContact N-O 3.22Å; A33-G92 PolarHBondContact O-N 2.9Å; G92-H94 PolarHBondContact O-CD2 3.22Å
93R96.8Very high89.2Confident157 Ų15759.8 Ų59.859%0.59236%0.357SS*.EExtended strand (participates in β ladder)trans-102.8122-177.2-175.7-179177.1-151.42.4110.5T30T30-R93 HydrophobicContact CG2-CG 4.03Å
94H96Very high90.7Very high42 Ų4261 Ų6119%0.19436%0.361CS..EExtended strand (participates in β ladder)trans-115.2137-179.4-59-88.4000109.9T30 L31 I89 S90 G92 Y96T30-H94 WeakPolarHBondContact CA-O 3.31Å; L31-H94 HydrophobicContact CB-CB 4.45Å; L31-H94 PolarHBondContact N-O 2.7Å; L31-H94 PolarHBondContact O-N 3.47Å; I89-H94 VanDerWaalsContact CG2-CD2 3.4Å; I89-H94 WeakPolarHBondContact CG2-CD2 3.33Å; I89-H94 VanDerWaalsContact CG2-NE2 3.29Å; I89-H94 WeakPolarHBondContact CG2-NE2 3.41Å; S90-H94 PolarHBondContact O-NE2 3.36Å; S90-H94 PolarHBondContact OG-CE1 2.79Å; G92-H94 PolarHBondContact O-CD2 3.22Å; H94-Y96 HydrophobicContact CB-CE2 3.69Å
95V97.6Very high91.7Very high68 Ų6860.4 Ų60.441%0.41235%0.353SS..EExtended strand (participates in β ladder)trans-129.3122.1-175.9-178.80000109.4R28 V29 T30R28-V95 HydrophobicContact CB-CG1 3.82Å; R28-V95 HydrophobicContact CG-CG1 4.28Å; V29-V95 WeakPolarHBondContact O-CA 3.5Å; T30-V95 HydrophobicContact CG2-CG2 4.46Å
96Y97.8Very high92.9Very high29 Ų2965.2 Ų65.211%0.11436%0.363CS..EExtended strand (participates in β ladder)trans-115.5104.7-177.9-56.2-90.4000109.5R28 V29 L31 L42 L78 Q79 H94R28-Y96 CarbonylContact C-O 3.57Å; R28-Y96 WeakPolarHBondContact CA-O 3.35Å; V29-Y96 PolarHBondContact N-O 2.78Å; V29-Y96 PolarHBondContact O-N 2.94Å; L31-Y96 HydrophobicContact CB-CE2 4.42Å; L42-Y96 HydrophobicContact CD2-CD1 4Å; L42-Y96 HydrophobicContact CD2-CD2 3.36Å; L42-Y96 HydrophobicContact CD2-CE1 4.14Å; L42-Y96 HydrophobicContact CD2-CE2 3.5Å; L42-Y96 HydrophobicContact CD2-CG 3.62Å; L78-Y96 HydrophobicContact CB-CD1 4.48Å; Q79-Y96 HydrophobicContact CB-CD1 4.45Å; Q79-Y96 HydrophobicContact CB-CE1 3.97Å; Q79-Y96 HydrophobicContact CG-CE1 4.37Å; H94-Y96 HydrophobicContact CB-CE2 3.69Å
97P98.1Very high93.9Very high102 Ų10262.4 Ų62.466%0.66234%0.343SS*.EExtended strand (participates in β ladder)trans-70151.2178.529.8-34000111.1G27G27-P97 WeakPolarHBondContact O-CA 3.27Å
98F98Very high94.5Very high7 Ų760.2 Ų60.23%0.03133%0.333CS..EExtended strand (participates in β ladder)trans-144.7157.3173.166.8-97.7000111.2V8 I25 T26 G27 V29 I44 L78 F100 L122V8-F98 HydrophobicContact CG1-CE1 3.86Å; V8-F98 HydrophobicContact CG1-CZ 3.98Å; I25-F98 HydrophobicContact CG2-CE2 4.4Å; T26-F98 WeakPolarHBondContact CA-O 3.26Å; G27-F98 VanDerWaalsContact C-CE1 3.42Å; G27-F98 PolarHBondContact N-O 3.07Å; G27-F98 PolarHBondContact O-N 2.89Å; V29-F98 HydrophobicContact CG2-CD1 4.04Å; V29-F98 HydrophobicContact CG2-CE1 4.16Å; I44-F98 HydrophobicContact CD1-CE1 4.46Å; I44-F98 HydrophobicContact CG1-CD1 4.19Å; I44-F98 HydrophobicContact CG1-CE1 4.33Å; I44-F98 HydrophobicContact CG1-CG 4.32Å; I44-F98 HydrophobicContact CG2-CB 3.96Å; I44-F98 HydrophobicContact CG2-CD1 4.46Å; I44-F98 HydrophobicContact CG2-CG 4.16Å; L78-F98 HydrophobicContact CD2-CB 3.94Å; F98-F100 AromaticContact CD2-CD2 3.81Å; F98-F100 HydrophobicContact CD2-CD2 3.81Å; F98-F100 HydrophobicContact CD2-CE2 4.06Å; F98-F100 HydrophobicContact CE2-CD2 4.25Å; F98-L122 HydrophobicContact CE2-CD1 3.79Å; F98-L122 HydrophobicContact CE2-CD2 4.24Å; F98-L122 HydrophobicContact CZ-CD1 3.56Å
99T98.1Very high94.8Very high77 Ų7757 Ų5747%0.47232%0.318SS..EExtended strand (participates in β ladder)trans-138.5127.7172.6-61.50000109.3T24 I25 I76T24-T99 HydrophobicContact CG2-CG2 3.32Å; I25-T99 CarbonylContact O-C 3.55Å; I25-T99 WeakPolarHBondContact O-CA 3.47Å; I76-T99 WeakPolarHBondContact CD1-O 3.27Å
100F97.7Very high95.2Very high10 Ų1058.5 Ų58.54%0.04433%0.329CS..EExtended strand (participates in β ladder)trans-118.6139.1170.1-76.1-73000109.8T24 I25 I44 A46 L74 I76 F98 L122T24-F100 CarbonylContact C-O 3.49Å; T24-F100 WeakPolarHBondContact CA-O 3.31Å; I25-F100 PolarHBondContact N-O 2.95Å; I25-F100 PolarHBondContact O-N 2.88Å; I44-F100 HydrophobicContact CB-CE2 4.34Å; I44-F100 HydrophobicContact CG1-CE2 3.81Å; I44-F100 HydrophobicContact CG1-CZ 4.45Å; I44-F100 HydrophobicContact CG2-CE2 3.75Å; I44-F100 HydrophobicContact CG2-CZ 3.87Å; A46-F100 HydrophobicContact CB-CB 4.34Å; A46-F100 HydrophobicContact CB-CD1 4.1Å; A46-F100 HydrophobicContact CB-CD2 3.77Å; A46-F100 HydrophobicContact CB-CE1 4.32Å; A46-F100 HydrophobicContact CB-CE2 4.02Å; A46-F100 HydrophobicContact CB-CG 3.81Å; A46-F100 HydrophobicContact CB-CZ 4.28Å; L74-F100 HydrophobicContact CB-CD1 3.66Å; L74-F100 HydrophobicContact CB-CE1 3.58Å; L74-F100 HydrophobicContact CD1-CD1 4.02Å; I76-F100 HydrophobicContact CB-CE1 4.34Å; I76-F100 HydrophobicContact CB-CZ 4.09Å; I76-F100 HydrophobicContact CD1-CD1 3.74Å; I76-F100 HydrophobicContact CD1-CD2 4.35Å; I76-F100 HydrophobicContact CD1-CE1 3.45Å; I76-F100 VanDerWaalsContact CD1-CE1 3.45Å; I76-F100 HydrophobicContact CD1-CE2 4.08Å; I76-F100 HydrophobicContact CD1-CG 4.19Å; I76-F100 HydrophobicContact CD1-CZ 3.63Å; I76-F100 HydrophobicContact CG1-CD1 4.25Å; I76-F100 HydrophobicContact CG1-CE1 3.52Å; I76-F100 HydrophobicContact CG1-CZ 3.75Å; F98-F100 AromaticContact CD2-CD2 3.81Å; F98-F100 HydrophobicContact CD2-CD2 3.81Å; F98-F100 HydrophobicContact CD2-CE2 4.06Å; F98-F100 HydrophobicContact CE2-CD2 4.25Å; F100-L122 HydrophobicContact CD2-CD2 4.05Å; F100-L122 HydrophobicContact CE2-CD2 4.32Å
101Q97.1Very high95.3Very high134 Ų13456.8 Ų56.863%0.62631%0.313SS*.EExtended strand (participates in β ladder)trans-94.3126.6163.3-166.7176.55.100109.3L74L74-Q101 VanDerWaalsContact CD1-O 3.24Å; L74-Q101 WeakPolarHBondContact CD1-O 3.41Å
102I96.5Very high95.4Very high2 Ų259.2 Ų59.21%0.0132%0.32CS..PPolyproline II helixtrans-68.2132.1174.6-61.6177.6000108F19 G22 D23 I25 A104 M107 F140 Y142F19-I102 HydrophobicContact CB-CD1 3.57Å; F19-I102 HydrophobicContact CD1-CD1 4.3Å; F19-I102 HydrophobicContact CG-CD1 4.17Å; G22-I102 VanDerWaalsContact CA-O 3.3Å; G22-I102 WeakPolarHBondContact CA-O 3.42Å; G22-I102 PolarHBondContact N-O 2.86Å; D23-I102 HydrophobicContact CB-CD1 4.41Å; D23-I102 WeakPolarHBondContact O-CB 3.35Å; D23-I102 WeakPolarHBondContact O-CG1 3.34Å; D23-I102 PolarHBondContact O-N 2.79Å; I25-I102 HydrophobicContact CD1-CD1 3.88Å; I25-I102 HydrophobicContact CD1-CG1 3.89Å; I25-I102 HydrophobicContact CG1-CD1 4.02Å; I25-I102 HydrophobicContact CG1-CG1 4.04Å; I102-A104 PolarHBondContact O-N 2.83Å; I102-M107 HydrophobicContact CG2-CE 3.56Å; I102-F140 HydrophobicContact CD1-CE2 4.06Å; I102-Y142 HydrophobicContact CD1-CD2 4.4Å; I102-Y142 HydrophobicContact CG2-CE2 4.04Å
103P95.4Very high95.4Very high34 Ų3458.4 Ų58.422%0.22131%0.312CS..PPolyproline II helixtrans-54.6130.1179.1-27.136.4000111.6F72 L74 K105F72-P103 HydrophobicContact CB-CG 3.9Å; F72-P103 HydrophobicContact CD1-CG 4.48Å; F72-P103 HydrophobicContact CG-CG 4.1Å; L74-P103 HydrophobicContact CD1-CG 4.44Å; P103-K105 HydrophobicContact CB-CD 4.34Å; P103-K105 HydrophobicContact CB-CG 4.14Å; P103-K105 PolarHBondContact O-N 2.8Å
104A92.6Very high95.4Very high89 Ų8956.6 Ų56.674%0.73631%0.308SS*.SBendtrans-75.464.1176.900000111I102I102-A104 PolarHBondContact O-N 2.83Å
105K90.1Very high95.4Very high102 Ų10258.4 Ų58.444%0.44331%0.313SS..SBendtrans-138.4161.1177.771.4-179.7-1771760110.8Y71 P103 M107Y71-K105 VanDerWaalsContact O-CE 3.23Å; Y71-K105 WeakPolarHBondContact O-CE 3.07Å; Y71-K105 PolarHBondContact O-NZ 2.84Å; P103-K105 HydrophobicContact CB-CD 4.34Å; P103-K105 HydrophobicContact CB-CG 4.14Å; P103-K105 PolarHBondContact O-N 2.8Å; K105-M107 HydrophobicContact CG-CG 4.05Å; K105-M107 HydrophobicContact CG-SD 4.38Å; K105-M107 PolarHBondContact O-N 2.94Å
106E87.1Confident95.4Very high149 Ų14955.6 Ų55.670%0.69630%0.298SS*.  trans-65.3126.1178.1-61.6-175.7172.800111.4T146E106-T146 HydrophobicContact CG-CG2 3.99Å
107M92.6Very high95.4Very high1 Ų157.5 Ų57.51%0.00531%0.307CS..  trans-147.7147.2176.7-55.8-179.1-73.400108.1Y71 F72 I102 K105 Y120 Y142 S144Y71-M107 HydrophobicContact CD1-CB 4.37Å; Y71-M107 HydrophobicContact CD1-CG 4.25Å; Y71-M107 HydrophobicContact CG-CB 4.41Å; Y71-M107 HydrophobicContact CG-CG 4.31Å; F72-M107 HydrophobicContact CD1-CE 4.21Å; F72-M107 HydrophobicContact CD1-SD 3.53Å; F72-M107 VanDerWaalsContact CD1-SD 3.53Å; F72-M107 HydrophobicContact CE1-CE 4.19Å; F72-M107 HydrophobicContact CE1-SD 3.96Å; I102-M107 HydrophobicContact CG2-CE 3.56Å; K105-M107 HydrophobicContact CG-CG 4.05Å; K105-M107 HydrophobicContact CG-SD 4.38Å; K105-M107 PolarHBondContact O-N 2.94Å; M107-Y120 WeakPolarHBondContact CB-OH 3.45Å; M107-Y120 HydrophobicContact SD-CE1 4.24Å; M107-Y142 HydrophobicContact CB-CE1 4.04Å; M107-Y142 HydrophobicContact CE-CE2 3.69Å; M107-Y142 WeakPolarHBondContact O-CE1 3.38Å; M107-S144 WeakPolarHBondContact O-CB 3.41Å; M107-S144 PolarHBondContact O-OG 3.07Å; M107-S144 VanDerWaalsContact O-OG 3.11Å
108P94.2Very high95.4Very high1 Ų152.8 Ų52.81%0.00628%0.276CS..PPolyproline II helixtrans-74.8154.1-177.432.9-39.2000112.6Y71 I118 Y120 Y142 L256 D258 C259Y71-P108 HydrophobicContact CD2-CG 4.42Å; Y71-P108 VanDerWaalsContact CE1-CD 3.43Å; Y71-P108 HydrophobicContact CE1-CG 4.05Å; Y71-P108 HydrophobicContact CE2-CG 3.56Å; Y71-P108 WeakPolarHBondContact OH-CG 3.33Å; P108-I118 HydrophobicContact CB-CD1 3.82Å; P108-I118 HydrophobicContact CG-CD1 3.73Å; P108-I118 HydrophobicContact CG-CG1 4.37Å; P108-I118 HydrophobicContact CG-CG2 4Å; P108-Y120 WeakPolarHBondContact O-CE2 3.39Å; P108-Y120 PolarHBondContact O-OH 3.15Å; P108-Y142 WeakPolarHBondContact O-CD1 3.37Å; P108-L256 HydrophobicContact CB-CD1 4.04Å; P108-D258 WeakPolarHBondContact CA-OD2 3.35Å; P108-D258 VanDerWaalsContact CB-OD1 3.27Å; P108-D258 WeakPolarHBondContact CB-OD1 3.4Å; P108-C259 HydrophobicContact CB-CB 4.22Å; P108-C259 HydrophobicContact CG-CB 4.13Å
109S94.1Very high95.4Very high19 Ų1952.6 Ų52.613%0.13328%0.275CS..PPolyproline II helixtrans-57.5151.9172.6-59.80000112Y111 I118 Y142 S144S109-Y111 PolarHBondContact O-N 3.39Å; S109-I118 WeakPolarHBondContact O-CG2 3.33Å; S109-Y142 CarbonylContact C-O 3.57Å; S109-Y142 WeakPolarHBondContact CA-O 3.31Å; S109-S144 WeakPolarHBondContact OG-CB 3.49Å; S109-S144 PolarHBondContact OG-N 2.83Å
110S95.6Very high95.5Very high39 Ų3949 Ų4927%0.27325%0.253SS..PPolyproline II helixtrans-53.8133.4167.5-75.40000109.7Y120 Y142S110-Y120 WeakPolarHBondContact OG-CD2 3.34Å; S110-Y142 PolarHBondContact N-O 3.18Å; S110-Y142 PolarHBondContact OG-N 3.11Å
111Y95.6Very high95.5Very high28 Ų2849.4 Ų49.411%0.1126%0.255CS..EExtended strand (participates in β ladder)trans-153.6146-176.8179.5-111.5000111.4S109 K117 I118 Q211 P253 L256 L262 L264S109-Y111 PolarHBondContact O-N 3.39Å; Y111-K117 CarbonylContact O-C 3.58Å; Y111-K117 WeakPolarHBondContact O-CA 3.49Å; Y111-K117 WeakPolarHBondContact O-CB 3.37Å; Y111-I118 PolarHBondContact N-O 2.9Å; Y111-I118 PolarHBondContact O-N 2.87Å; Y111-Q211 VanDerWaalsContact OH-CD 3.31Å; Y111-Q211 PolarHBondContact OH-NE2 2.91Å; Y111-Q211 VanDerWaalsContact OH-NE2 3.16Å; Y111-P253 HydrophobicContact CE2-CB 4.47Å; Y111-L256 HydrophobicContact CD1-CD2 4.23Å; Y111-L262 HydrophobicContact CD1-CD2 3.7Å; Y111-L262 HydrophobicContact CD1-CG 4.29Å; Y111-L262 HydrophobicContact CE1-CD1 4.47Å; Y111-L262 HydrophobicContact CE1-CD2 4.17Å; Y111-L262 HydrophobicContact CE1-CG 4.45Å; Y111-L264 HydrophobicContact CD2-CD2 4.39Å; Y111-L264 HydrophobicContact CE2-CD2 3.65Å
112M96.2Very high95.6Very high121 Ų12143 Ų4360%0.59623%0.225SC*.EExtended strand (participates in β ladder)trans-127.8110.4176.6-165.974.361.400109K117M112-K117 HydrophobicContact CE-CB 4.24Å; M112-K117 HydrophobicContact CE-CD 3.98Å; M112-K117 HydrophobicContact SD-CB 3.56Å; M112-K117 VanDerWaalsContact SD-CB 3.56Å; M112-K117 HydrophobicContact SD-CD 3.7Å; M112-K117 HydrophobicContact SD-CG 4.3Å
113G95.5Very high95.7Very high16 Ų1645.6 Ų45.617%0.16524%0.236CC..  trans-109.6-176.5175.100000112.4W115 G116G113-W115 PolarHBondContact O-N 3.36Å; G113-G116 CarbonylContact C-O 3.58Å; G113-G116 WeakPolarHBondContact CA-O 3.35Å; G113-G116 PolarHBondContact N-O 3.06Å
114K97Very high95.8Very high119 Ų11944 Ų4452%0.51723%0.225SC..SBendtrans-57.7-46.9-176.7-173.468.8176.2-172.40113.5F213 Y222K114-F213 HydrophobicContact CB-CE2 4.46Å; K114-F213 HydrophobicContact CB-CZ 4.07Å; K114-Y222 HydrophobicContact CB-CD1 3.9Å; K114-Y222 HydrophobicContact CB-CE1 4.39Å; K114-Y222 HydrophobicContact CB-CG 3.95Å; K114-Y222 HydrophobicContact CD-CD2 4.43Å; K114-Y222 HydrophobicContact CD-CE2 4.3Å; K114-Y222 HydrophobicContact CG-CD1 4.29Å; K114-Y222 HydrophobicContact CG-CD2 4.05Å; K114-Y222 HydrophobicContact CG-CE2 4.42Å; K114-Y222 HydrophobicContact CG-CG 3.99Å
115W97.4Very high96Very high80 Ų8042.3 Ų42.330%0.30320%0.202SC..SBendtrans-126.319.3-175.3-61.2-49.9000113V52 K53 W54 G113 F213 N220 Y222V52-W115 CarbonylContact C-O 3.48Å; V52-W115 VanDerWaalsContact CA-O 3.26Å; V52-W115 WeakPolarHBondContact CA-O 3.35Å; K53-W115 PolarHBondContact N-O 2.83Å; K53-W115 WeakPolarHBondContact O-CB 3.3Å; W54-W115 HydrophobicContact CB-CB 4.06Å; W54-W115 HydrophobicContact CB-CD2 4.08Å; W54-W115 HydrophobicContact CB-CG 3.81Å; G113-W115 PolarHBondContact O-N 3.36Å; W115-F213 VanDerWaalsContact C-CE1 3.44Å; W115-F213 HydrophobicContact CB-CD1 3.92Å; W115-F213 HydrophobicContact CB-CD2 4.3Å; W115-F213 HydrophobicContact CB-CE1 3.9Å; W115-F213 HydrophobicContact CB-CE2 4.24Å; W115-F213 HydrophobicContact CB-CG 4.14Å; W115-F213 HydrophobicContact CB-CZ 4.06Å; W115-F213 HydrophobicContact CD2-CD2 4.47Å; W115-F213 HydrophobicContact CD2-CE2 4.29Å; W115-F213 AromaticContact CE3-CD2 3.5Å; W115-F213 HydrophobicContact CE3-CD2 3.5Å; W115-F213 VanDerWaalsContact CE3-CD2 3.5Å; W115-F213 AromaticContact CE3-CE2 3.48Å; W115-F213 HydrophobicContact CE3-CE2 3.48Å; W115-F213 VanDerWaalsContact CE3-CE2 3.48Å; W115-F213 HydrophobicContact CE3-CG 4.32Å; W115-F213 HydrophobicContact CE3-CZ 4.31Å; W115-F213 HydrophobicContact CZ3-CD2 4.21Å; W115-F213 HydrophobicContact CZ3-CE2 4.16Å; W115-N220 HydrophobicContact CE3-CB 4.42Å; W115-N220 WeakPolarHBondContact CH2-OD1 3.34Å; W115-N220 HydrophobicContact CZ3-CB 4.29Å; W115-N220 WeakPolarHBondContact CZ3-OD1 3.38Å; W115-Y222 HydrophobicContact CH2-CD2 4.46Å
116G97.3Very high96.2Very high9 Ų937.5 Ų37.59%0.09318%0.18CC..EExtended strand (participates in β ladder)trans-168156.8-172.600000113.2E51 G113 F213E51-G116 CarbonylContact O-C 3.56Å; E51-G116 WeakPolarHBondContact O-CA 3.17Å; G113-G116 CarbonylContact C-O 3.58Å; G113-G116 WeakPolarHBondContact CA-O 3.35Å; G113-G116 PolarHBondContact N-O 3.06Å; G116-F213 VanDerWaalsContact N-CE1 3.27Å
117K97.9Very high96.4Very high68 Ų6831.9 Ų31.930%0.29616%0.155SC..EExtended strand (participates in β ladder)trans-152.2153.6-179.364.1-176.4-177.6179.10112.3A50 E51 Y111 M112 T119A50-K117 CarbonylContact C-O 3.54Å; A50-K117 VanDerWaalsContact CA-O 3.31Å; A50-K117 WeakPolarHBondContact CA-O 3.43Å; E51-K117 PolarHBondContact N-O 2.69Å; E51-K117 PolarHBondContact O-N 2.87Å; Y111-K117 CarbonylContact O-C 3.58Å; Y111-K117 WeakPolarHBondContact O-CA 3.49Å; Y111-K117 WeakPolarHBondContact O-CB 3.37Å; M112-K117 HydrophobicContact CE-CB 4.24Å; M112-K117 HydrophobicContact CE-CD 3.98Å; M112-K117 HydrophobicContact SD-CB 3.56Å; M112-K117 VanDerWaalsContact SD-CB 3.56Å; M112-K117 HydrophobicContact SD-CD 3.7Å; M112-K117 HydrophobicContact SD-CG 4.3Å; K117-T119 HydrophobicContact CB-CG2 4.31Å; K117-T119 HydrophobicContact CD-CG2 3.68Å; K117-T119 HydrophobicContact CG-CG2 3.89Å
118I98.3Very high96.1Very high3 Ų333.7 Ų33.72%0.01516%0.162CC..EExtended strand (participates in β ladder)trans-113.5118.6169.7-63.9161.8000106.5K49 A50 Y71 P108 S109 Y111 Y120 L256 C259 L262K49-I118 WeakPolarHBondContact O-CA 3.31Å; A50-I118 HydrophobicContact CB-CG1 3.8Å; Y71-I118 HydrophobicContact CE2-CG2 4.41Å; P108-I118 HydrophobicContact CB-CD1 3.82Å; P108-I118 HydrophobicContact CG-CD1 3.73Å; P108-I118 HydrophobicContact CG-CG1 4.37Å; P108-I118 HydrophobicContact CG-CG2 4Å; S109-I118 WeakPolarHBondContact O-CG2 3.33Å; Y111-I118 PolarHBondContact N-O 2.9Å; Y111-I118 PolarHBondContact O-N 2.87Å; I118-Y120 HydrophobicContact CG2-CD2 4.36Å; I118-Y120 HydrophobicContact CG2-CE2 3.55Å; I118-L256 HydrophobicContact CD1-CD1 3.68Å; I118-L256 HydrophobicContact CD1-CD2 3.64Å; I118-L256 HydrophobicContact CD1-CG 4.22Å; I118-C259 HydrophobicContact CD1-CB 4.04Å; I118-L262 HydrophobicContact CD1-CD2 4.27Å; I118-L262 HydrophobicContact CG1-CD2 4.17Å
119T98.1Very high95.6Very high4 Ų436.5 Ų36.53%0.02518%0.179CC..EExtended strand (participates in β ladder)trans-129.4137.8-172.952.40000110.9K49 K117K49-T119 PolarHBondContact N-O 2.91Å; K49-T119 PolarHBondContact O-N 3.05Å; K117-T119 HydrophobicContact CB-CG2 4.31Å; K117-T119 HydrophobicContact CD-CG2 3.68Å; K117-T119 HydrophobicContact CG-CG2 3.89Å
120Y98.4Very high94.6Very high1 Ų142 Ų420%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-121.2131.1173-61-94.3000108.5K47 F72 M107 P108 S110 I118 E139 F140 Y142K47-Y120 CarbonylContact O-C 3.58Å; K47-Y120 VanDerWaalsContact O-CA 3.3Å; K47-Y120 WeakPolarHBondContact O-CA 3.37Å; F72-Y120 HydrophobicContact CD1-CE1 4.47Å; F72-Y120 AromaticContact CE1-CD1 3.59Å; F72-Y120 HydrophobicContact CE1-CD1 3.59Å; F72-Y120 AromaticContact CE1-CE1 3.78Å; F72-Y120 HydrophobicContact CE1-CE1 3.78Å; F72-Y120 HydrophobicContact CZ-CD1 4.09Å; M107-Y120 WeakPolarHBondContact CB-OH 3.45Å; M107-Y120 HydrophobicContact SD-CE1 4.24Å; P108-Y120 WeakPolarHBondContact O-CE2 3.39Å; P108-Y120 PolarHBondContact O-OH 3.15Å; S110-Y120 WeakPolarHBondContact OG-CD2 3.34Å; I118-Y120 HydrophobicContact CG2-CD2 4.36Å; I118-Y120 HydrophobicContact CG2-CE2 3.55Å; Y120-E139 WeakPolarHBondContact O-CA 3.32Å; Y120-F140 VanDerWaalsContact CB-CE2 3.49Å; Y120-F140 HydrophobicContact CD1-CE2 4.5Å; Y120-F140 HydrophobicContact CG-CE2 4.24Å; Y120-F140 HydrophobicContact CG-CZ 4.45Å; Y120-F140 PolarHBondContact O-N 2.91Å; Y120-Y142 HydrophobicContact CD1-CG 4.31Å; Y120-Y142 HydrophobicContact CD2-CD1 4.47Å; Y120-Y142 HydrophobicContact CD2-CG 4.06Å; Y120-Y142 HydrophobicContact CE1-CD1 4.31Å; Y120-Y142 HydrophobicContact CE1-CD2 4.4Å; Y120-Y142 HydrophobicContact CE1-CG 4.08Å; Y120-Y142 VanDerWaalsContact CE2-CB 3.44Å; Y120-Y142 AromaticContact CE2-CD1 3.75Å; Y120-Y142 HydrophobicContact CE2-CD1 3.75Å; Y120-Y142 AromaticContact CE2-CG 3.77Å; Y120-Y142 HydrophobicContact CE2-CG 3.77Å; Y120-Y142 HydrophobicContact CG-CG 4.3Å; Y120-Y142 AromaticContact CZ-CD1 3.66Å; Y120-Y142 AromaticContact CZ-CG 3.79Å
121Y98.4Very high93.9Very high19 Ų1951.8 Ų51.88%0.07524%0.237CC..EExtended strand (participates in β ladder)trans-156.4152.8-171.165.2-87.5000113.2K47 K49 K123 K137 T138K47-Y121 HydrophobicContact CB-CD1 4.28Å; K47-Y121 HydrophobicContact CB-CD2 4.43Å; K47-Y121 HydrophobicContact CB-CE1 3.75Å; K47-Y121 HydrophobicContact CB-CE2 3.97Å; K47-Y121 HydrophobicContact CD-CE2 3.97Å; K47-Y121 VanDerWaalsContact CD-OH 3.31Å; K47-Y121 WeakPolarHBondContact CD-OH 3.47Å; K47-Y121 HydrophobicContact CG-CE2 4.31Å; K47-Y121 PolarHBondContact N-O 3.05Å; K47-Y121 PolarHBondContact O-N 3.27Å; K49-Y121 HydrophobicContact CD-CE1 4.08Å; K49-Y121 HydrophobicContact CG-CE1 4.27Å; Y121-K123 HydrophobicContact CD2-CB 4.04Å; Y121-K123 HydrophobicContact CE2-CB 3.99Å; Y121-K123 HydrophobicContact CE2-CD 4.37Å; Y121-K137 HydrophobicContact CD2-CD 4Å; Y121-K137 VanDerWaalsContact CD2-CE 3.43Å; Y121-K137 HydrophobicContact CD2-CG 3.84Å; Y121-K137 HydrophobicContact CE2-CD 4.45Å; Y121-K137 HydrophobicContact CG-CD 4.37Å; Y121-K137 HydrophobicContact CG-CG 4.37Å; Y121-T138 CarbonylContact C-O 3.58Å; Y121-T138 VanDerWaalsContact CA-O 3.26Å; Y121-T138 WeakPolarHBondContact CA-O 3.18Å; Y121-T138 VanDerWaalsContact CB-O 3.27Å; Y121-T138 WeakPolarHBondContact CB-O 3.27Å
122L98.6Very high93.5Very high0 Ų054.1 Ų54.10%025%0.252CS..EExtended strand (participates in β ladder)trans-97.2140.1167.2-59.7172.1000109V8 Y10 I25 I44 K45 A46 F98 F100 K137 T138 F140V8-L122 HydrophobicContact CG1-CB 3.89Å; V8-L122 HydrophobicContact CG1-CD1 4.04Å; Y10-L122 HydrophobicContact CD1-CD1 3.8Å; Y10-L122 HydrophobicContact CG-CD1 4.18Å; I25-L122 HydrophobicContact CG2-CD1 4.09Å; I44-L122 HydrophobicContact CD1-CB 4.28Å; K45-L122 CarbonylContact O-C 3.6Å; K45-L122 VanDerWaalsContact O-CA 3.29Å; K45-L122 WeakPolarHBondContact O-CA 3.43Å; A46-L122 HydrophobicContact CB-CD2 3.72Å; F98-L122 HydrophobicContact CE2-CD1 3.79Å; F98-L122 HydrophobicContact CE2-CD2 4.24Å; F98-L122 HydrophobicContact CZ-CD1 3.56Å; F100-L122 HydrophobicContact CD2-CD2 4.05Å; F100-L122 HydrophobicContact CE2-CD2 4.32Å; L122-K137 VanDerWaalsContact O-CA 3.27Å; L122-K137 WeakPolarHBondContact O-CA 3.29Å; L122-K137 WeakPolarHBondContact O-CG 3.46Å; L122-T138 HydrophobicContact CB-CG2 3.97Å; L122-T138 HydrophobicContact CD1-CG2 4.15Å; L122-T138 HydrophobicContact CG-CG2 4.5Å; L122-T138 PolarHBondContact N-O 2.95Å; L122-T138 PolarHBondContact O-N 3.12Å; L122-F140 HydrophobicContact CD2-CE1 4.46Å; L122-F140 HydrophobicContact CG-CD1 4.3Å; L122-F140 HydrophobicContact CG-CE1 4.34Å
123K98.4Very high93.2Very high56 Ų5651 Ų5124%0.24324%0.237CC..EExtended strand (participates in β ladder)trans-139.4110.6178.6-177171.1-173.2164.30110.9K45 Y121 K125 A136K45-K123 PolarHBondContact N-O 3.18Å; K45-K123 PolarHBondContact O-N 2.94Å; Y121-K123 HydrophobicContact CD2-CB 4.04Å; Y121-K123 HydrophobicContact CE2-CB 3.99Å; Y121-K123 HydrophobicContact CE2-CD 4.37Å; K123-K125 HydrophobicContact CG-CG 4.49Å; K123-A136 CarbonylContact C-O 3.57Å; K123-A136 VanDerWaalsContact CA-O 3.31Å; K123-A136 WeakPolarHBondContact CA-O 3.45Å
124A98.3Very high93.1Very high0 Ų052.4 Ų52.40%024%0.24CC..EExtended strand (participates in β ladder)trans-85.8143.3170.700000109.7F6 V8 V29 F43 I44 R135 A136F6-A124 HydrophobicContact CE1-CB 3.99Å; F6-A124 HydrophobicContact CE2-CB 4.34Å; F6-A124 HydrophobicContact CZ-CB 3.55Å; V8-A124 HydrophobicContact CG2-CB 3.36Å; V29-A124 HydrophobicContact CG1-CB 3.85Å; V29-A124 HydrophobicContact CG2-CB 3.91Å; F43-A124 CarbonylContact O-C 3.45Å; F43-A124 WeakPolarHBondContact O-CA 3.38Å; I44-A124 HydrophobicContact CD1-CB 3.8Å; A124-R135 WeakPolarHBondContact O-CA 3.4Å; A124-A136 HydrophobicContact CB-CB 4.46Å; A124-A136 PolarHBondContact N-O 3.5Å; A124-A136 PolarHBondContact O-N 3.01Å; A124-A136 VanDerWaalsContact O-N 3.12Å
125K96.5Very high93.1Very high54 Ų5453.6 Ų53.624%0.23524%0.241CC..EExtended strand (participates in β ladder)trans-133.3125167.5-57-163.4-168.9170.70109.1F43 K123 I133 D134 R135F43-K125 HydrophobicContact CD2-CB 4.11Å; F43-K125 HydrophobicContact CD2-CG 4.42Å; F43-K125 HydrophobicContact CE1-CB 4.2Å; F43-K125 HydrophobicContact CE2-CB 3.49Å; F43-K125 VanDerWaalsContact CE2-CB 3.49Å; F43-K125 HydrophobicContact CE2-CD 3.6Å; F43-K125 HydrophobicContact CE2-CG 3.59Å; F43-K125 HydrophobicContact CZ-CB 3.58Å; F43-K125 HydrophobicContact CZ-CD 3.64Å; F43-K125 HydrophobicContact CZ-CG 3.98Å; F43-K125 PolarHBondContact N-O 2.96Å; F43-K125 PolarHBondContact O-N 2.86Å; K123-K125 HydrophobicContact CG-CG 4.49Å; K125-I133 HydrophobicContact CB-CG2 4.34Å; K125-I133 HydrophobicContact CD-CG2 4.39Å; K125-D134 WeakPolarHBondContact CA-O 3.44Å; K125-R135 HydrophobicContact CD-CG 4.46Å; K125-R135 HydrophobicContact CG-CG 4.17Å
126L94.6Very high93.1Very high0 Ų050.2 Ų50.20%023%0.231CC..EExtended strand (participates in β ladder)trans-99.1112169.9173.769.5000107.1V3 F6 L31 L39 L42 I89 R128 I133 D134V3-L126 HydrophobicContact CG2-CD2 4.09Å; F6-L126 HydrophobicContact CE1-CB 4.15Å; F6-L126 HydrophobicContact CE2-CB 4.19Å; F6-L126 HydrophobicContact CZ-CB 3.78Å; L31-L126 HydrophobicContact CD1-CD2 3.86Å; L31-L126 HydrophobicContact CD2-CD1 4.32Å; L31-L126 HydrophobicContact CD2-CD2 3.79Å; L39-L126 HydrophobicContact CD1-CD1 3.24Å; L42-L126 HydrophobicContact CB-CD1 4.25Å; L42-L126 HydrophobicContact CD1-CB 3.98Å; L42-L126 HydrophobicContact CD1-CD1 4.22Å; I89-L126 HydrophobicContact CD1-CD1 4.09Å; L126-R128 HydrophobicContact CD2-CG 3.95Å; L126-R128 HydrophobicContact CG-CG 3.85Å; L126-I133 CarbonylContact O-C 3.58Å; L126-I133 WeakPolarHBondContact O-CA 3.36Å; L126-D134 HydrophobicContact CB-CB 4.17Å; L126-D134 HydrophobicContact CD2-CB 4.34Å; L126-D134 PolarHBondContact N-O 2.96Å; L126-D134 PolarHBondContact O-N 2.95Å
127I92.1Very high93.1Very high32 Ų3254.6 Ų54.616%0.16425%0.247CC..EExtended strand (participates in β ladder)trans-93.1112.3171.7-56-173.6000107Q40 S41 F43 T129 I133Q40-I127 WeakPolarHBondContact CA-O 3.48Å; Q40-I127 HydrophobicContact CB-CB 4.46Å; Q40-I127 HydrophobicContact CB-CG2 4.07Å; Q40-I127 WeakPolarHBondContact CB-O 3.32Å; Q40-I127 PolarHBondContact N-O 3.03Å; S41-I127 PolarHBondContact N-O 2.86Å; S41-I127 VanDerWaalsContact N-O 3.15Å; S41-I127 PolarHBondContact O-N 2.84Å; F43-I127 HydrophobicContact CE1-CD1 3.6Å; F43-I127 HydrophobicContact CE1-CG1 3.98Å; F43-I127 HydrophobicContact CZ-CD1 4.21Å; I127-T129 WeakPolarHBondContact CG2-O 3.49Å; I127-I133 HydrophobicContact CG1-CG1 4.4Å; I127-I133 HydrophobicContact CG1-CG2 4.41Å
128R86.6Confident93.1Very high38 Ų3853.2 Ų53.214%0.14324%0.244CC..SBendtrans-94.4-39.3178.7-60.5175.252.1-168.9-3.1111.2T37 S38 L126 L132 D134T37-R128 HydrophobicContact CG2-CG 4.22Å; S38-R128 WeakPolarHBondContact O-CA 3.39Å; S38-R128 VanDerWaalsContact O-CB 3.3Å; S38-R128 WeakPolarHBondContact O-CB 3.45Å; S38-R128 WeakPolarHBondContact O-CG 3.47Å; S38-R128 PolarHBondContact OG-O 3.12Å; L126-R128 HydrophobicContact CD2-CG 3.95Å; L126-R128 HydrophobicContact CG-CG 3.85Å; R128-L132 HydrophobicContact CB-CB 4.34Å; R128-L132 HydrophobicContact CB-CD2 4.17Å; R128-L132 PolarHBondContact N-O 2.89Å; R128-L132 VanDerWaalsContact NH1-CD2 3.27Å; R128-D134 WeakPolarHBondContact CD-OD2 3.41Å; R128-D134 IonicContact NH1-OD2 3.9Å
129T82.2Confident93Very high60 Ų6057 Ų5737%0.36826%0.262SS..SBendtrans-149.6173.7167.962.70000108.1I127 W131 L132I127-T129 WeakPolarHBondContact CG2-O 3.49Å; T129-W131 PolarHBondContact O-N 2.96Å; T129-W131 VanDerWaalsContact O-N 3.07Å; T129-L132 PolarHBondContact N-O 2.87Å; T129-L132 PolarHBondContact O-N 2.81Å; T129-L132 WeakPolarHBondContact OG1-CB 3.41Å; T129-L132 PolarHBondContact OG1-N 2.58Å
130L73.4Confident93Very high135 Ų13557 Ų5771%0.70726%0.261SS*.SBendtrans-55.7-27.6178.2-69.4173000113.9
131W81Confident92.8Very high244 Ų24460.5 Ų60.592%0.92428%0.284SS*.SBendtrans-100.7-19.1-176.4-55.498.3000113.4T129T129-W131 PolarHBondContact O-N 2.96Å; T129-W131 VanDerWaalsContact O-N 3.07Å
132L87Confident92.6Very high78 Ų7859.7 Ų59.741%0.40828%0.28SS..  trans-11599.2-172.7-154.284000110.6R128 T129R128-L132 HydrophobicContact CB-CB 4.34Å; R128-L132 HydrophobicContact CB-CD2 4.17Å; R128-L132 PolarHBondContact N-O 2.89Å; R128-L132 VanDerWaalsContact NH1-CD2 3.27Å; T129-L132 PolarHBondContact N-O 2.87Å; T129-L132 PolarHBondContact O-N 2.81Å; T129-L132 WeakPolarHBondContact OG1-CB 3.41Å; T129-L132 PolarHBondContact OG1-N 2.58Å
133I90.8Very high92.3Very high55 Ų5561.7 Ų61.728%0.28229%0.291SS..EExtended strand (participates in β ladder)trans-126.4109.2-175-54.8173.1000110.2K125 L126 I127 R135K125-I133 HydrophobicContact CB-CG2 4.34Å; K125-I133 HydrophobicContact CD-CG2 4.39Å; L126-I133 CarbonylContact O-C 3.58Å; L126-I133 WeakPolarHBondContact O-CA 3.36Å; I127-I133 HydrophobicContact CG1-CG1 4.4Å; I127-I133 HydrophobicContact CG1-CG2 4.41Å; I133-R135 HydrophobicContact CG2-CG 4.09Å
134D93Very high91.9Very high45 Ų4560 Ų6024%0.24129%0.286CS..EExtended strand (participates in β ladder)trans-83.6144.5172-61.7-72.7000110.3F6 K125 L126 R128F6-D134 HydrophobicContact CD1-CB 4.04Å; F6-D134 HydrophobicContact CE1-CB 4.39Å; K125-D134 WeakPolarHBondContact CA-O 3.44Å; L126-D134 HydrophobicContact CB-CB 4.17Å; L126-D134 HydrophobicContact CD2-CB 4.34Å; L126-D134 PolarHBondContact N-O 2.96Å; L126-D134 PolarHBondContact O-N 2.95Å; R128-D134 WeakPolarHBondContact CD-OD2 3.41Å; R128-D134 IonicContact NH1-OD2 3.9Å
135R96.1Very high90.9Very high144 Ų14465.8 Ų65.854%0.54331%0.311SS..EExtended strand (participates in β ladder)trans-139.6132.1-173.8-57.6-177.5-177.7124.11.1110.8A124 K125 I133A124-R135 WeakPolarHBondContact O-CA 3.4Å; K125-R135 HydrophobicContact CD-CG 4.46Å; K125-R135 HydrophobicContact CG-CG 4.17Å; I133-R135 HydrophobicContact CG2-CG 4.09Å
136A97.8Very high89.4Confident9 Ų965.1 Ų65.17%0.07431%0.312CS..EExtended strand (participates in β ladder)trans-123.8143170.300000108.9F6 V8 K123 A124F6-A136 HydrophobicContact CD1-CB 3.65Å; F6-A136 HydrophobicContact CE1-CB 3.91Å; F6-A136 HydrophobicContact CG-CB 4.19Å; F6-A136 WeakPolarHBondContact O-CB 3.1Å; V8-A136 HydrophobicContact CG2-CB 3.8Å; K123-A136 CarbonylContact C-O 3.57Å; K123-A136 VanDerWaalsContact CA-O 3.31Å; K123-A136 WeakPolarHBondContact CA-O 3.45Å; A124-A136 HydrophobicContact CB-CB 4.46Å; A124-A136 PolarHBondContact N-O 3.5Å; A124-A136 PolarHBondContact O-N 3.01Å; A124-A136 VanDerWaalsContact O-N 3.12Å
137K97.8Very high87.9Confident101 Ų10171.9 Ų71.944%0.43935%0.348SS..EExtended strand (participates in β ladder)trans-142.3134.4-178.5-175.8-165.8168-153.90109Y121 L122 E139Y121-K137 HydrophobicContact CD2-CD 4Å; Y121-K137 VanDerWaalsContact CD2-CE 3.43Å; Y121-K137 HydrophobicContact CD2-CG 3.84Å; Y121-K137 HydrophobicContact CE2-CD 4.45Å; Y121-K137 HydrophobicContact CG-CD 4.37Å; Y121-K137 HydrophobicContact CG-CG 4.37Å; L122-K137 VanDerWaalsContact O-CA 3.27Å; L122-K137 WeakPolarHBondContact O-CA 3.29Å; L122-K137 WeakPolarHBondContact O-CG 3.46Å; K137-E139 IonicContact NZ-OE1 2.84Å; K137-E139 PolarHBondContact NZ-OE1 3.03Å
138T97.5Very high86.6Confident39 Ų3974.2 Ų74.224%0.23936%0.359CS..EExtended strand (participates in β ladder)trans-132139.9169.9-1710000109.4V8 Y10 Y121 L122V8-T138 HydrophobicContact CB-CG2 4.06Å; V8-T138 HydrophobicContact CG1-CG2 3.97Å; V8-T138 VanDerWaalsContact O-CG2 3.32Å; V8-T138 WeakPolarHBondContact O-CG2 3.22Å; Y10-T138 HydrophobicContact CD1-CG2 3.74Å; Y10-T138 HydrophobicContact CE1-CG2 3.77Å; Y121-T138 CarbonylContact C-O 3.58Å; Y121-T138 VanDerWaalsContact CA-O 3.26Å; Y121-T138 WeakPolarHBondContact CA-O 3.18Å; Y121-T138 VanDerWaalsContact CB-O 3.27Å; Y121-T138 WeakPolarHBondContact CB-O 3.27Å; L122-T138 HydrophobicContact CB-CG2 3.97Å; L122-T138 HydrophobicContact CD1-CG2 4.15Å; L122-T138 HydrophobicContact CG-CG2 4.5Å; L122-T138 PolarHBondContact N-O 2.95Å; L122-T138 PolarHBondContact O-N 3.12Å
139E97.4Very high85.9Confident82 Ų8280 Ų8038%0.38339%0.391SS..EExtended strand (participates in β ladder)trans-93.1152.1176.8-55-161.2162.600109.9Y10 Y120 K137Y10-E139 PolarHBondContact OH-O 3.36Å; Y120-E139 WeakPolarHBondContact O-CA 3.32Å; K137-E139 IonicContact NZ-OE1 2.84Å; K137-E139 PolarHBondContact NZ-OE1 3.03Å
140F96.3Very high85.9Confident4 Ų478.4 Ų78.42%0.01838%0.38CS..EExtended strand (participates in β ladder)trans-131149.217263.5-93.7000109.7Y10 F19 I25 F72 I102 Y120 L122Y10-F140 HydrophobicContact CE1-CB 4.08Å; Y10-F140 HydrophobicContact CE2-CB 4.05Å; Y10-F140 WeakPolarHBondContact OH-CA 3.48Å; Y10-F140 VanDerWaalsContact OH-CB 3.31Å; Y10-F140 WeakPolarHBondContact OH-CB 3.29Å; F19-F140 HydrophobicContact CB-CD2 4.27Å; F19-F140 HydrophobicContact CB-CE2 4.41Å; F19-F140 HydrophobicContact CD2-CB 4.12Å; F19-F140 AromaticContact CD2-CD2 3.75Å; F19-F140 HydrophobicContact CD2-CD2 3.75Å; F19-F140 HydrophobicContact CD2-CG 4.23Å; F19-F140 HydrophobicContact CE2-CB 4.2Å; F19-F140 HydrophobicContact CE2-CD2 4.5Å; F19-F140 HydrophobicContact CG-CD2 4.28Å; I25-F140 HydrophobicContact CD1-CD1 4.09Å; I25-F140 HydrophobicContact CD1-CD2 4.25Å; I25-F140 HydrophobicContact CD1-CE1 3.58Å; I25-F140 HydrophobicContact CD1-CE2 3.75Å; I25-F140 HydrophobicContact CD1-CG 4.39Å; I25-F140 HydrophobicContact CD1-CZ 3.36Å; F72-F140 HydrophobicContact CZ-CZ 4.27Å; I102-F140 HydrophobicContact CD1-CE2 4.06Å; Y120-F140 VanDerWaalsContact CB-CE2 3.49Å; Y120-F140 HydrophobicContact CD1-CE2 4.5Å; Y120-F140 HydrophobicContact CG-CE2 4.24Å; Y120-F140 HydrophobicContact CG-CZ 4.45Å; Y120-F140 PolarHBondContact O-N 2.91Å; L122-F140 HydrophobicContact CD2-CE1 4.46Å; L122-F140 HydrophobicContact CG-CD1 4.3Å; L122-F140 HydrophobicContact CG-CE1 4.34Å
141T95.5Very high86.3Confident76 Ų7677.4 Ų77.447%0.46638%0.382SS..EExtended strand (participates in β ladder)trans-82.4123.7-179.5-55.80000109.1T18 F19T18-T141 WeakPolarHBondContact CA-O 3.4Å; T18-T141 HydrophobicContact CG2-CG2 3.93Å; F19-T141 PolarHBondContact N-O 3.39Å
142Y94.6Very high86.5Confident2 Ų266.8 Ų66.81%0.00835%0.348CS..EExtended strand (participates in β ladder)trans-105.9129173.6-179.7-89000109.2F19 A21 I102 M107 P108 S109 S110 Y120F19-Y142 CarbonylContact O-C 3.53Å; F19-Y142 WeakPolarHBondContact O-CA 3.39Å; F19-Y142 WeakPolarHBondContact O-CD2 3.48Å; A21-Y142 WeakPolarHBondContact CB-OH 3.2Å; A21-Y142 PolarHBondContact N-OH 2.87Å; I102-Y142 HydrophobicContact CD1-CD2 4.4Å; I102-Y142 HydrophobicContact CG2-CE2 4.04Å; M107-Y142 HydrophobicContact CB-CE1 4.04Å; M107-Y142 HydrophobicContact CE-CE2 3.69Å; M107-Y142 WeakPolarHBondContact O-CE1 3.38Å; P108-Y142 WeakPolarHBondContact O-CD1 3.37Å; S109-Y142 CarbonylContact C-O 3.57Å; S109-Y142 WeakPolarHBondContact CA-O 3.31Å; S110-Y142 PolarHBondContact N-O 3.18Å; S110-Y142 PolarHBondContact OG-N 3.11Å; Y120-Y142 HydrophobicContact CD1-CG 4.31Å; Y120-Y142 HydrophobicContact CD2-CD1 4.47Å; Y120-Y142 HydrophobicContact CD2-CG 4.06Å; Y120-Y142 HydrophobicContact CE1-CD1 4.31Å; Y120-Y142 HydrophobicContact CE1-CD2 4.4Å; Y120-Y142 HydrophobicContact CE1-CG 4.08Å; Y120-Y142 VanDerWaalsContact CE2-CB 3.44Å; Y120-Y142 AromaticContact CE2-CD1 3.75Å; Y120-Y142 HydrophobicContact CE2-CD1 3.75Å; Y120-Y142 AromaticContact CE2-CG 3.77Å; Y120-Y142 HydrophobicContact CE2-CG 3.77Å; Y120-Y142 HydrophobicContact CG-CG 4.3Å; Y120-Y142 AromaticContact CZ-CD1 3.66Å; Y120-Y142 AromaticContact CZ-CG 3.79Å
143L92.1Very high86.6Confident41 Ų4164.7 Ų64.722%0.21534%0.337CS..  trans-113.8121.4174.8-17363.6000108.8F19 S20 K145 L290F19-L143 PolarHBondContact O-N 3.31Å; S20-L143 WeakPolarHBondContact CB-O 3.06Å; S20-L143 PolarHBondContact OG-O 3.3Å; L143-K145 PolarHBondContact O-N 3.11Å; L143-L290 HydrophobicContact CD2-CD2 4.1Å
144S89.2Confident86.5Confident22 Ų2272.5 Ų72.515%0.15436%0.363CS..  trans-70.2127.9177.5-172.30000110.4M107 S109 T146M107-S144 WeakPolarHBondContact O-CB 3.41Å; M107-S144 PolarHBondContact O-OG 3.07Å; M107-S144 VanDerWaalsContact O-OG 3.11Å; S109-S144 WeakPolarHBondContact OG-CB 3.49Å; S109-S144 PolarHBondContact OG-N 2.83Å; S144-T146 VanDerWaalsContact C-N 3.29Å; S144-T146 PolarHBondContact OG-N 3.46Å; S144-T146 PolarHBondContact OG-OG1 3.41Å
145K77.5Confident86.5Confident121 Ų12176.4 Ų76.453%0.52638%0.38SS..  trans-87.53.3172.1-72174.8176.9168.40112.2S20 D23 L143 N147S20-K145 VanDerWaalsContact CB-CD 3.49Å; S20-K145 VanDerWaalsContact OG-CE 3.31Å; S20-K145 WeakPolarHBondContact OG-CE 3.3Å; D23-K145 IonicContact OD1-NZ 3.56Å; L143-K145 PolarHBondContact O-N 3.11Å; K145-N147 PolarHBondContact O-N 3.38Å
146T64.7Low86.5Confident40 Ų4074.5 Ų74.525%0.24539%0.386CS..  trans-67.8120.6-170.8-45.30000110.7E106 S144 M148E106-T146 HydrophobicContact CG-CG2 3.99Å; S144-T146 VanDerWaalsContact C-N 3.29Å; S144-T146 PolarHBondContact OG-N 3.46Å; S144-T146 PolarHBondContact OG-OG1 3.41Å; T146-M148 PolarHBondContact O-N 2.81Å
147N62.6Low86.4Confident141 Ų14175.4 Ų75.475%0.75439%0.389SS*.  trans-74.479.8164.9-71.9-31.6000108.2K145 I149K145-N147 PolarHBondContact O-N 3.38Å; N147-I149 PolarHBondContact O-N 2.77Å
148M65.6Low86.4Confident82 Ų8275.1 Ų75.140%0.40439%0.389SS..  trans-59.9114.8174.2-115.9-1728500108.6T146 I150 L257 D258T146-M148 PolarHBondContact O-N 2.81Å; M148-I150 HydrophobicContact CB-CG1 4.27Å; M148-I150 HydrophobicContact CE-CG1 4.09Å; M148-I150 PolarHBondContact O-N 2.62Å; M148-I150 VanDerWaalsContact O-N 3.12Å; M148-L257 HydrophobicContact CE-CB 3.58Å; M148-L257 HydrophobicContact CE-CD1 4.05Å; M148-L257 HydrophobicContact CE-CG 4.46Å; M148-L257 HydrophobicContact SD-CB 3.8Å; M148-D258 HydrophobicContact SD-CB 3.97Å
149I72.4Confident86.4Confident159 Ų15973.9 Ų73.982%0.81538%0.383SS*.  trans-72.6106.2169.5-59.3175.1000106N147 P151N147-I149 PolarHBondContact O-N 2.77Å; I149-P151 WeakPolarHBondContact O-CD 3.45Å
150I81.6Confident86.3Confident26 Ų2673.1 Ų73.113%0.13339%0.387CS..  trans-98.6112.6176.1-63.6167.3000106.7M148 L153 M179 L257 V287M148-I150 HydrophobicContact CB-CG1 4.27Å; M148-I150 HydrophobicContact CE-CG1 4.09Å; M148-I150 PolarHBondContact O-N 2.62Å; M148-I150 VanDerWaalsContact O-N 3.12Å; I150-L153 HydrophobicContact CB-CB 4.11Å; I150-L153 HydrophobicContact CB-CD1 4.13Å; I150-L153 HydrophobicContact CB-CD2 4.46Å; I150-L153 HydrophobicContact CB-CG 4.48Å; I150-L153 HydrophobicContact CD1-CD1 4.25Å; I150-L153 HydrophobicContact CG2-CB 4.24Å; I150-L153 HydrophobicContact CG2-CD1 4.05Å; I150-L153 VanDerWaalsContact O-CB 3.29Å; I150-L153 WeakPolarHBondContact O-CB 3.06Å; I150-L153 PolarHBondContact O-N 3.38Å; I150-M179 HydrophobicContact CG2-CE 4.31Å; I150-M179 HydrophobicContact CG2-SD 4.44Å; I150-L257 HydrophobicContact CD1-CD1 3.95Å; I150-L257 HydrophobicContact CG1-CD1 4.44Å; I150-V287 HydrophobicContact CD1-CB 4.38Å; I150-V287 HydrophobicContact CD1-CG1 3.54Å; I150-V287 HydrophobicContact CD1-CG2 4.09Å; I150-V287 HydrophobicContact CG2-CG2 4.31Å
151P82.7Confident86.3Confident114 Ų11478 Ų7874%0.7441%0.409SS*.THydrogen-bonded Turntrans-57.6139.4176.4-23.134000110.7I149 L153I149-P151 WeakPolarHBondContact O-CD 3.45Å; P151-L153 PolarHBondContact O-N 2.8Å
152G84.4Confident86.2Confident21 Ų2178.5 Ų78.522%0.21641%0.407CS..THydrogen-bonded Turntrans67.511.5179.600000115.3R154 E155G152-R154 PolarHBondContact O-N 3.31Å; G152-R154 VanDerWaalsContact O-N 3.08Å; G152-E155 VanDerWaalsContact CA-CD 3.5Å; G152-E155 PolarHBondContact O-N 2.91Å
153L88.7Confident86Confident35 Ų3579.8 Ų79.818%0.18341%0.414CS..THydrogen-bonded Turntrans-54.9-34.9-176.6-173.366.9000113.3I150 P151 T178 M179 G180 V287 L289I150-L153 HydrophobicContact CB-CB 4.11Å; I150-L153 HydrophobicContact CB-CD1 4.13Å; I150-L153 HydrophobicContact CB-CD2 4.46Å; I150-L153 HydrophobicContact CB-CG 4.48Å; I150-L153 HydrophobicContact CD1-CD1 4.25Å; I150-L153 HydrophobicContact CG2-CB 4.24Å; I150-L153 HydrophobicContact CG2-CD1 4.05Å; I150-L153 VanDerWaalsContact O-CB 3.29Å; I150-L153 WeakPolarHBondContact O-CB 3.06Å; I150-L153 PolarHBondContact O-N 3.38Å; P151-L153 PolarHBondContact O-N 2.8Å; L153-T178 PolarHBondContact O-OG1 2.91Å; L153-M179 PolarHBondContact O-N 3.3Å; L153-M179 VanDerWaalsContact O-N 3.07Å; L153-G180 VanDerWaalsContact CD1-CA 3.42Å; L153-G180 PolarHBondContact O-N 3.49Å; L153-V287 HydrophobicContact CD1-CB 3.76Å; L153-V287 HydrophobicContact CD1-CG1 4.08Å; L153-V287 HydrophobicContact CD1-CG2 4.02Å; L153-L289 HydrophobicContact CD2-CD1 4.13Å; L153-L289 HydrophobicContact CD2-CD2 4.44Å
154R89.9Confident85.9Confident219 Ų21985.7 Ų85.783%0.82644%0.439SS*.THydrogen-bonded Turntrans-103.31.6179.2-64.8-177.7174.3171.2-4.3113.5G152G152-R154 PolarHBondContact O-N 3.31Å; G152-R154 VanDerWaalsContact O-N 3.08Å
155E91.9Very high85.6Confident127 Ų12787.7 Ų87.759%0.59344%0.444SS*.SBendtrans-80142.7-179.6-70.7172.2-164.900109.3G152G152-E155 VanDerWaalsContact CA-CD 3.5Å; G152-E155 PolarHBondContact O-N 2.91Å
156P95.6Very high86Confident103 Ų10387.8 Ų87.867%0.66947%0.468SS*.  trans-63.9147.1172.328.6-34.3000109.7I176 E177P156-I176 VanDerWaalsContact CA-O 3.32Å; P156-I176 WeakPolarHBondContact CA-O 3.5Å; P156-E177 WeakPolarHBondContact CA-O 3.48Å
157Q97.3Very high87Confident29 Ų2987.9 Ų87.914%0.13647%0.47CS..EExtended strand (participates in β ladder)trans-115.2143.7177.4-60.1-177.766.700110.5H175 I176 L284 P285Q157-H175 VanDerWaalsContact O-CA 3.32Å; Q157-H175 WeakPolarHBondContact O-CA 3.42Å; Q157-I176 HydrophobicContact CB-CD1 4.18Å; Q157-I176 HydrophobicContact CB-CG1 3.73Å; Q157-I176 HydrophobicContact CG-CD1 4.47Å; Q157-I176 HydrophobicContact CG-CG1 4.35Å; Q157-I176 PolarHBondContact N-O 2.85Å; Q157-I176 PolarHBondContact O-N 3.06Å; Q157-L284 HydrophobicContact CB-CD1 4.17Å; Q157-L284 HydrophobicContact CB-CD2 4.43Å; Q157-P285 PolarHBondContact NE2-O 2.87Å; Q157-P285 VanDerWaalsContact OE1-CG 3.22Å; Q157-P285 PolarHBondContact OE1-O 3.4Å
158H96.8Very high88.3Confident95 Ų9582.4 Ų82.444%0.4445%0.447SS..EExtended strand (participates in β ladder)trans-128.4142.6173.3171.2-113.9000110D173 I174 H175H158-D173 IonicContact CE1-OD1 3.76Å; H158-D173 IonicContact NE2-OD1 3.61Å; H158-D173 PolarHBondContact NE2-OD1 3.21Å; H158-D173 VanDerWaalsContact NE2-OD1 3.12Å; H158-I174 CarbonylContact C-O 3.59Å; H158-I174 VanDerWaalsContact CA-O 3.27Å; H158-I174 WeakPolarHBondContact CA-O 3.38Å; H158-I174 PolarHBondContact CD2-O 2.7Å; H158-H175 AromaticContact CD2-CD2 3.49Å; H158-H175 PolarHBondContact CD2-CD2 3.01Å; H158-H175 VanDerWaalsContact CD2-CD2 3.49Å; H158-H175 AromaticContact CD2-CE1 3.37Å; H158-H175 PolarHBondContact CD2-CE1 3.21Å; H158-H175 AromaticContact CD2-CG 3.99Å; H158-H175 AromaticContact CD2-ND1 3.92Å; H158-H175 AromaticContact CD2-NE2 3.06Å; H158-H175 PolarHBondContact CD2-NE2 2.74Å; H158-H175 AromaticContact CG-CD2 3.95Å; H158-H175 AromaticContact CG-NE2 3.75Å; H158-H175 AromaticContact NE2-CE1 3.83Å; H158-H175 AromaticContact NE2-NE2 3.72Å
159G97.1Very high89.6Confident12 Ų1280.5 Ų80.512%0.12444%0.439CS..EExtended strand (participates in β ladder)trans-144.6139.8168.800000110.1I174G159-I174 PolarHBondContact N-O 2.78Å; G159-I174 PolarHBondContact O-N 2.81Å
160S96.5Very high90.7Very high67 Ų6773 Ų7347%0.46940%0.4SS..EExtended strand (participates in β ladder)trans-136.1154.3-179.768.40000113.4L172 D173S160-L172 CarbonylContact C-O 3.58Å; S160-L172 WeakPolarHBondContact CA-O 3.18Å; S160-D173 WeakPolarHBondContact CB-OD1 3.49Å
161K96.1Very high91.3Very high107 Ų10772.5 Ų72.547%0.46540%0.399SS..EExtended strand (participates in β ladder)trans-147.8135.8174.8-165.372178.5-179.40110.3L163 S171 L172 P280 V282K161-L163 HydrophobicContact CG-CD1 4.05Å; K161-S171 WeakPolarHBondContact O-CA 3.32Å; K161-L172 PolarHBondContact N-O 3.2Å; K161-L172 PolarHBondContact O-N 3.08Å; K161-P280 HydrophobicContact CG-CB 4.08Å; K161-V282 HydrophobicContact CB-CG2 3.8Å
162I93.4Very high92Very high86 Ų8667.1 Ų67.144%0.44136%0.364SS..EExtended strand (participates in β ladder)trans-118.6142173.8-54.6176000109.2F164 D169 I170I162-F164 HydrophobicContact CB-CE2 4.39Å; I162-F164 HydrophobicContact CB-CZ 4.41Å; I162-F164 HydrophobicContact CG2-CD2 4.44Å; I162-F164 HydrophobicContact CG2-CE1 3.95Å; I162-F164 HydrophobicContact CG2-CE2 3.84Å; I162-F164 HydrophobicContact CG2-CZ 3.56Å; I162-D169 HydrophobicContact CG2-CB 4.46Å; I162-I170 CarbonylContact C-O 3.48Å; I162-I170 WeakPolarHBondContact CA-O 3.35Å
163L90.3Very high92.6Very high28 Ų2868 Ų6815%0.14736%0.363CS..EExtended strand (participates in β ladder)trans-125.8131.5177.8-73.481000108.4K161 F165 D169 I170 P280K161-L163 HydrophobicContact CG-CD1 4.05Å; L163-F165 HydrophobicContact CB-CD2 4.46Å; L163-F165 HydrophobicContact CB-CE2 3.61Å; L163-F165 HydrophobicContact CB-CZ 3.87Å; L163-F165 HydrophobicContact CD2-CE2 4.39Å; L163-F165 HydrophobicContact CD2-CZ 3.85Å; L163-D169 CarbonylContact O-C 3.51Å; L163-D169 WeakPolarHBondContact O-CA 3.36Å; L163-D169 WeakPolarHBondContact O-CB 3.5Å; L163-I170 PolarHBondContact N-O 2.96Å; L163-I170 PolarHBondContact O-N 3.34Å; L163-P280 HydrophobicContact CD1-CB 3.19Å; L163-P280 HydrophobicContact CD1-CG 3.57Å; L163-P280 HydrophobicContact CD2-CB 3.87Å; L163-P280 HydrophobicContact CD2-CG 3.99Å; L163-P280 HydrophobicContact CG-CB 4.08Å; L163-P280 HydrophobicContact CG-CG 4.42Å
164F89.2Confident93.1Very high166 Ų16666.3 Ų66.373%0.72836%0.355SS*.EExtended strand (participates in β ladder)trans-106.4128.5178.7-61.2-78.8000109.3I162 D169I162-F164 HydrophobicContact CB-CE2 4.39Å; I162-F164 HydrophobicContact CB-CZ 4.41Å; I162-F164 HydrophobicContact CG2-CD2 4.44Å; I162-F164 HydrophobicContact CG2-CE1 3.95Å; I162-F164 HydrophobicContact CG2-CE2 3.84Å; I162-F164 HydrophobicContact CG2-CZ 3.56Å; F164-D169 HydrophobicContact CD1-CB 3.89Å; F164-D169 HydrophobicContact CE1-CB 4.16Å
165F84.2Confident93.4Very high63 Ų6359.1 Ų59.128%0.27633%0.33SS..EExtended strand (participates in β ladder)trans-121.2162.1172.7-54.6-83.5000108.9L163 S167 G168 I170 V274 A277L163-F165 HydrophobicContact CB-CD2 4.46Å; L163-F165 HydrophobicContact CB-CE2 3.61Å; L163-F165 HydrophobicContact CB-CZ 3.87Å; L163-F165 HydrophobicContact CD2-CE2 4.39Å; L163-F165 HydrophobicContact CD2-CZ 3.85Å; F165-S167 PolarHBondContact O-N 2.96Å; F165-G168 CarbonylContact C-O 3.56Å; F165-G168 WeakPolarHBondContact CA-O 3.45Å; F165-G168 WeakPolarHBondContact CB-O 3.49Å; F165-G168 PolarHBondContact N-O 3.21Å; F165-G168 PolarHBondContact O-N 2.87Å; F165-I170 HydrophobicContact CD2-CD1 4.45Å; F165-I170 HydrophobicContact CD2-CG1 4.3Å; F165-I170 HydrophobicContact CE2-CB 4.47Å; F165-I170 HydrophobicContact CE2-CD1 3.79Å; F165-I170 HydrophobicContact CE2-CG1 3.88Å; F165-V274 HydrophobicContact CZ-CG1 3.98Å; F165-A277 HydrophobicContact CE1-CB 3.66Å; F165-A277 HydrophobicContact CZ-CB 4.13Å
166A85.1Confident93.7Very high123 Ų12353.3 Ų53.3100%1.01730%0.304SS*.THydrogen-bonded Turntrans-59.2-26.5170.600000112.1
167S84.8Confident93.7Very high43 Ų4354.5 Ų54.530%0.30130%0.3SS..THydrogen-bonded Turntrans-93.314.2-177.961.60000114.6F165F165-S167 PolarHBondContact O-N 2.96Å
168G91.3Very high93.6Very high26 Ų2654.5 Ų54.527%0.26830%0.302SS..EExtended strand (participates in β ladder)trans118.1-170.3-17500000113.2F165F165-G168 CarbonylContact C-O 3.56Å; F165-G168 WeakPolarHBondContact CA-O 3.45Å; F165-G168 WeakPolarHBondContact CB-O 3.49Å; F165-G168 PolarHBondContact N-O 3.21Å; F165-G168 PolarHBondContact O-N 2.87Å
169D93.1Very high93.5Very high42 Ų4251.5 Ų51.523%0.22529%0.289CS..EExtended strand (participates in β ladder)trans-121.6161-177.269.9-67.8000113I162 L163 F164 N196 S197I162-D169 HydrophobicContact CG2-CB 4.46Å; L163-D169 CarbonylContact O-C 3.51Å; L163-D169 WeakPolarHBondContact O-CA 3.36Å; L163-D169 WeakPolarHBondContact O-CB 3.5Å; F164-D169 HydrophobicContact CD1-CB 3.89Å; F164-D169 HydrophobicContact CE1-CB 4.16Å; D169-N196 CarbonylContact O-C 3.51Å; D169-N196 WeakPolarHBondContact O-CA 3.14Å; D169-N196 WeakPolarHBondContact O-CB 3.27Å; D169-N196 PolarHBondContact O-N 2.85Å; D169-N196 WeakPolarHBondContact OD1-CB 3.48Å; D169-N196 PolarHBondContact OD1-ND2 2.88Å; D169-N196 VanDerWaalsContact OD1-ND2 3.16Å; D169-S197 PolarHBondContact O-N 2.91Å
170I94.6Very high93.4Very high1 Ų151.4 Ų51.41%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-130.8121.7173.1-50.9-177.1000108.3I162 L163 F165 I193 H194 V201 L272 V274I162-I170 CarbonylContact C-O 3.48Å; I162-I170 WeakPolarHBondContact CA-O 3.35Å; L163-I170 PolarHBondContact N-O 2.96Å; L163-I170 PolarHBondContact O-N 3.34Å; F165-I170 HydrophobicContact CD2-CD1 4.45Å; F165-I170 HydrophobicContact CD2-CG1 4.3Å; F165-I170 HydrophobicContact CE2-CB 4.47Å; F165-I170 HydrophobicContact CE2-CD1 3.79Å; F165-I170 HydrophobicContact CE2-CG1 3.88Å; I170-I193 HydrophobicContact CG2-CG2 4.42Å; I170-H194 CarbonylContact C-O 3.56Å; I170-H194 VanDerWaalsContact CA-O 3.27Å; I170-H194 WeakPolarHBondContact CA-O 3.34Å; I170-V201 HydrophobicContact CD1-CG1 3.53Å; I170-L272 HydrophobicContact CG2-CD1 3.78Å; I170-V274 HydrophobicContact CD1-CG1 4.41Å; I170-V274 HydrophobicContact CD1-CG2 4.47Å
171S94.9Very high93.2Very high16 Ų1648.8 Ų48.811%0.11227%0.268CS..EExtended strand (participates in β ladder)trans-103.2140.8170.887.50000110.9K161 I193 H194K161-S171 WeakPolarHBondContact O-CA 3.32Å; S171-I193 WeakPolarHBondContact O-CA 3.32Å; S171-H194 PolarHBondContact N-O 2.89Å; S171-H194 PolarHBondContact O-N 2.88Å; S171-H194 WeakPolarHBondContact OG-CB 3.28Å
172L96.7Very high92.9Very high1 Ų145.8 Ų45.81%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-125.4122.7172.1174.664.8000107.9S160 K161 I174 V191 I193 V270 L272 V282S160-L172 CarbonylContact C-O 3.58Å; S160-L172 WeakPolarHBondContact CA-O 3.18Å; K161-L172 PolarHBondContact N-O 3.2Å; K161-L172 PolarHBondContact O-N 3.08Å; L172-I174 HydrophobicContact CD1-CD1 4.34Å; L172-I174 HydrophobicContact CD1-CG1 4.11Å; L172-I174 HydrophobicContact CD2-CD1 4.12Å; L172-I174 HydrophobicContact CG-CD1 4.17Å; L172-I174 HydrophobicContact CG-CG1 4.06Å; L172-V191 HydrophobicContact CD1-CG1 3.62Å; L172-I193 HydrophobicContact CD1-CD1 4.49Å; L172-I193 HydrophobicContact CD1-CG1 3.92Å; L172-V270 HydrophobicContact CD1-CG1 4.47Å; L172-V270 HydrophobicContact CD2-CG1 4.41Å; L172-L272 HydrophobicContact CB-CD1 3.89Å; L172-L272 HydrophobicContact CD1-CD1 4.35Å; L172-L272 HydrophobicContact CD1-CD2 4.26Å; L172-L272 HydrophobicContact CD1-CG 4.31Å; L172-L272 HydrophobicContact CD2-CD1 4.37Å; L172-L272 HydrophobicContact CD2-CG 4.13Å; L172-L272 HydrophobicContact CG-CD1 4.43Å; L172-V282 HydrophobicContact CD2-CB 4.42Å; L172-V282 HydrophobicContact CD2-CG2 3.94Å; L172-V282 HydrophobicContact CG-CG2 4.39Å
173D97.8Very high92.7Very high38 Ų3843.2 Ų43.220%0.20325%0.246CC..EExtended strand (participates in β ladder)trans-126.4133.8176.3-70.9-89.8000109.5H158 S160 V191 E192H158-D173 IonicContact CE1-OD1 3.76Å; H158-D173 IonicContact NE2-OD1 3.61Å; H158-D173 PolarHBondContact NE2-OD1 3.21Å; H158-D173 VanDerWaalsContact NE2-OD1 3.12Å; S160-D173 WeakPolarHBondContact CB-OD1 3.49Å; D173-V191 CarbonylContact O-C 3.58Å; D173-V191 WeakPolarHBondContact O-CA 3.32Å; D173-E192 HydrophobicContact CB-CB 4.2Å; D173-E192 PolarHBondContact N-O 2.84Å; D173-E192 PolarHBondContact O-N 3.25Å
174I97.8Very high92.7Very high1 Ų143.6 Ų43.61%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-133.2131.2-172.5-49.6-176.3000109.3H158 G159 L172 I189 L190 L268 V270 V282 L284H158-I174 CarbonylContact C-O 3.59Å; H158-I174 VanDerWaalsContact CA-O 3.27Å; H158-I174 WeakPolarHBondContact CA-O 3.38Å; H158-I174 PolarHBondContact CD2-O 2.7Å; G159-I174 PolarHBondContact N-O 2.78Å; G159-I174 PolarHBondContact O-N 2.81Å; L172-I174 HydrophobicContact CD1-CD1 4.34Å; L172-I174 HydrophobicContact CD1-CG1 4.11Å; L172-I174 HydrophobicContact CD2-CD1 4.12Å; L172-I174 HydrophobicContact CG-CD1 4.17Å; L172-I174 HydrophobicContact CG-CG1 4.06Å; I174-I189 HydrophobicContact CG2-CG2 3.65Å; I174-L190 CarbonylContact C-O 3.57Å; I174-L190 WeakPolarHBondContact CA-O 3.41Å; I174-L268 HydrophobicContact CG2-CD2 4.41Å; I174-V270 HydrophobicContact CD1-CB 3.32Å; I174-V270 HydrophobicContact CD1-CG1 3.83Å; I174-V270 HydrophobicContact CD1-CG2 3.58Å; I174-V282 HydrophobicContact CB-CG1 4.48Å; I174-V282 HydrophobicContact CD1-CB 3.61Å; I174-V282 HydrophobicContact CD1-CG1 3.75Å; I174-V282 HydrophobicContact CD1-CG2 4.28Å; I174-V282 HydrophobicContact CG1-CB 4.43Å; I174-V282 HydrophobicContact CG1-CG1 4.31Å; I174-L284 HydrophobicContact CG2-CD1 4.08Å
175H98.1Very high92.9Very high67 Ų6739.7 Ų39.731%0.3124%0.241SC..EExtended strand (participates in β ladder)trans-128.8139.2176.7-5379.6000111.1Q157 H158 L190Q157-H175 VanDerWaalsContact O-CA 3.32Å; Q157-H175 WeakPolarHBondContact O-CA 3.42Å; H158-H175 AromaticContact CD2-CD2 3.49Å; H158-H175 PolarHBondContact CD2-CD2 3.01Å; H158-H175 VanDerWaalsContact CD2-CD2 3.49Å; H158-H175 AromaticContact CD2-CE1 3.37Å; H158-H175 PolarHBondContact CD2-CE1 3.21Å; H158-H175 AromaticContact CD2-CG 3.99Å; H158-H175 AromaticContact CD2-ND1 3.92Å; H158-H175 AromaticContact CD2-NE2 3.06Å; H158-H175 PolarHBondContact CD2-NE2 2.74Å; H158-H175 AromaticContact CG-CD2 3.95Å; H158-H175 AromaticContact CG-NE2 3.75Å; H158-H175 AromaticContact NE2-CE1 3.83Å; H158-H175 AromaticContact NE2-NE2 3.72Å; H175-L190 HydrophobicContact CB-CB 4.21Å; H175-L190 HydrophobicContact CB-CD2 4.48Å; H175-L190 PolarHBondContact N-O 2.96Å; H175-L190 PolarHBondContact O-N 2.83Å
176I97.9Very high93.5Very high6 Ų639 Ų393%0.03125%0.247CC..EExtended strand (participates in β ladder)trans-132.5150.116958.9178.6000109.5P156 Q157 T178 I187 I189 L268 L284 L286P156-I176 VanDerWaalsContact CA-O 3.32Å; P156-I176 WeakPolarHBondContact CA-O 3.5Å; Q157-I176 HydrophobicContact CB-CD1 4.18Å; Q157-I176 HydrophobicContact CB-CG1 3.73Å; Q157-I176 HydrophobicContact CG-CD1 4.47Å; Q157-I176 HydrophobicContact CG-CG1 4.35Å; Q157-I176 PolarHBondContact N-O 2.85Å; Q157-I176 PolarHBondContact O-N 3.06Å; I176-T178 WeakPolarHBondContact CD1-O 3.2Å; I176-T178 PolarHBondContact O-N 3.17Å; I176-I187 HydrophobicContact CG2-CG2 4.18Å; I176-I189 HydrophobicContact CG2-CB 4.42Å; I176-I189 HydrophobicContact CG2-CG1 4.14Å; I176-I189 HydrophobicContact CG2-CG2 4.32Å; I176-L268 HydrophobicContact CG2-CD2 3.59Å; I176-L284 HydrophobicContact CD1-CB 4.12Å; I176-L284 HydrophobicContact CD1-CD1 3.99Å; I176-L284 HydrophobicContact CG1-CD1 3.93Å; I176-L286 HydrophobicContact CD1-CD2 3.79Å
177E95.6Very high94Very high127 Ų12733.2 Ų33.259%0.59320%0.199SC*.SBendtrans-72.9-28.3-171.9-64.2176178.600113.3P156P156-E177 WeakPolarHBondContact CA-O 3.48Å
178T94.9Very high94.6Very high29 Ų2936.4 Ų36.418%0.17821%0.207CC..  trans-154.6160.3-173.2-179.70000111.2L153 I176 G180 Y181L153-T178 PolarHBondContact O-OG1 2.91Å; I176-T178 WeakPolarHBondContact CD1-O 3.2Å; I176-T178 PolarHBondContact O-N 3.17Å; T178-G180 WeakPolarHBondContact CG2-O 3.23Å; T178-G180 PolarHBondContact OG1-N 3.07Å; T178-G180 PolarHBondContact OG1-O 2.93Å; T178-Y181 HydrophobicContact CG2-CD1 4.36Å; T178-Y181 HydrophobicContact CG2-CE1 3.75Å; T178-Y181 HydrophobicContact CG2-CE2 3.93Å; T178-Y181 VanDerWaalsContact CG2-CZ 3.48Å; T178-Y181 WeakPolarHBondContact O-CE2 3.27Å; T178-Y181 PolarHBondContact O-OH 2.93Å
179M95Very high95Very high33 Ų3335.1 Ų35.116%0.16320%0.195CC..SBendtrans-89.8-32171.9-177.1179.1170.600112.5I150 L153 P285 L286 V287I150-M179 HydrophobicContact CG2-CE 4.31Å; I150-M179 HydrophobicContact CG2-SD 4.44Å; L153-M179 PolarHBondContact O-N 3.3Å; L153-M179 VanDerWaalsContact O-N 3.07Å; M179-P285 HydrophobicContact CE-CB 3.73Å; M179-P285 HydrophobicContact CE-CG 4.23Å; M179-P285 HydrophobicContact SD-CB 4.45Å; M179-P285 HydrophobicContact SD-CG 4.43Å; M179-L286 CarbonylContact O-C 3.59Å; M179-L286 WeakPolarHBondContact O-CA 3.16Å; M179-V287 HydrophobicContact CE-CG2 3.39Å; M179-V287 HydrophobicContact CG-CG2 4.06Å; M179-V287 PolarHBondContact O-N 3.12Å; M179-V287 HydrophobicContact SD-CG2 4.29Å
180G93.5Very high95.2Very high10 Ų1035.9 Ų35.910%0.10320%0.198CC..EExtended strand (participates in β ladder)trans-95.6132.1-176.500000113.2L153 T178 V287L153-G180 VanDerWaalsContact CD1-CA 3.42Å; L153-G180 PolarHBondContact O-N 3.49Å; T178-G180 WeakPolarHBondContact CG2-O 3.23Å; T178-G180 PolarHBondContact OG1-N 3.07Å; T178-G180 PolarHBondContact OG1-O 2.93Å; G180-V287 WeakPolarHBondContact CA-O 3.42Å
181Y93Very high95.4Very high11 Ų1136 Ų364%0.04320%0.199CC..EExtended strand (participates in β ladder)trans-137147.9176.9-62.1-93.4000110.6T178 E185 I187 I248 L286 V287 I288 L289T178-Y181 HydrophobicContact CG2-CD1 4.36Å; T178-Y181 HydrophobicContact CG2-CE1 3.75Å; T178-Y181 HydrophobicContact CG2-CE2 3.93Å; T178-Y181 VanDerWaalsContact CG2-CZ 3.48Å; T178-Y181 WeakPolarHBondContact O-CE2 3.27Å; T178-Y181 PolarHBondContact O-OH 2.93Å; Y181-E185 WeakPolarHBondContact CA-OE2 3.5Å; Y181-E185 HydrophobicContact CD1-CB 4.42Å; Y181-I187 HydrophobicContact CD1-CG1 4.07Å; Y181-I187 HydrophobicContact CD2-CG1 4.47Å; Y181-I187 HydrophobicContact CE1-CB 4.24Å; Y181-I187 HydrophobicContact CE1-CG1 3.94Å; Y181-I187 HydrophobicContact CE1-CG2 4.3Å; Y181-I187 HydrophobicContact CE2-CG1 4.38Å; Y181-I187 HydrophobicContact CG-CG1 4.34Å; Y181-I248 HydrophobicContact CD1-CD1 4.15Å; Y181-I248 HydrophobicContact CD2-CD1 4.43Å; Y181-I248 HydrophobicContact CG-CD1 3.71Å; Y181-L286 HydrophobicContact CD2-CD2 4.08Å; Y181-L286 HydrophobicContact CE2-CD2 3.63Å; Y181-V287 PolarHBondContact N-O 3.07Å; Y181-I288 CarbonylContact O-C 3.55Å; Y181-I288 WeakPolarHBondContact O-CA 3.36Å; Y181-L289 PolarHBondContact O-N 2.82Å
182L90.6Very high95.5Very high45 Ų4537.4 Ų37.424%0.23620%0.204CC..EExtended strand (participates in β ladder)trans-79.9154.4166.5-57.6178.3000110.3G184 E185 L289 L290L182-G184 PolarHBondContact O-N 2.94Å; L182-E185 HydrophobicContact CB-CG 3.92Å; L182-E185 PolarHBondContact N-OE2 2.81Å; L182-E185 WeakPolarHBondContact O-CB 3.28Å; L182-E185 PolarHBondContact O-N 2.98Å; L182-E185 VanDerWaalsContact O-N 3.11Å; L182-L289 HydrophobicContact CD2-CB 3.87Å; L182-L290 WeakPolarHBondContact CD2-O 3.41Å
183S88.7Confident95.5Very high32 Ų3237.7 Ų37.722%0.22421%0.205CC..THydrogen-bonded Turntrans-57.6133.4168.9-61.80000110.4P250 L252 I288S183-P250 WeakPolarHBondContact CB-O 3.28Å; S183-L252 PolarHBondContact OG-O 3.45Å; S183-I288 WeakPolarHBondContact OG-CG2 3.39Å
184G90.7Very high95.4Very high36 Ų3639.1 Ų39.137%0.37121%0.211SC..THydrogen-bonded Turntrans91.7-15.7-174.900000114.9L182 I248L182-G184 PolarHBondContact O-N 2.94Å; G184-I248 WeakPolarHBondContact CA-O 3.27Å; G184-I248 PolarHBondContact N-O 2.99Å
185E93.4Very high95.3Very high83 Ų8339.1 Ų39.139%0.38821%0.21SC..  trans-72.7156.5-179.9-76.5-176.5159.100113.2Y181 L182 I248Y181-E185 WeakPolarHBondContact CA-OE2 3.5Å; Y181-E185 HydrophobicContact CD1-CB 4.42Å; L182-E185 HydrophobicContact CB-CG 3.92Å; L182-E185 PolarHBondContact N-OE2 2.81Å; L182-E185 WeakPolarHBondContact O-CB 3.28Å; L182-E185 PolarHBondContact O-N 2.98Å; L182-E185 VanDerWaalsContact O-N 3.11Å; E185-I248 WeakPolarHBondContact O-CB 3.46Å; E185-I248 WeakPolarHBondContact O-CG1 3.33Å; E185-I248 PolarHBondContact O-N 2.95Å
186A95.4Very high95.2Very high50 Ų5038.5 Ų38.541%0.41321%0.209SC..EExtended strand (participates in β ladder)trans-94.8128.2177.100000111.3V245 L246A186-V245 HydrophobicContact CB-CG1 3.72Å; A186-L246 CarbonylContact C-O 3.57Å; A186-L246 WeakPolarHBondContact CA-O 3.09Å
187I97Very high94.9Very high1 Ų138.2 Ų38.21%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-88.4113.8171.8-50.5174.4000107.7I176 Y181 I189 L207 V245 L246 I248 L286I176-I187 HydrophobicContact CG2-CG2 4.18Å; Y181-I187 HydrophobicContact CD1-CG1 4.07Å; Y181-I187 HydrophobicContact CD2-CG1 4.47Å; Y181-I187 HydrophobicContact CE1-CB 4.24Å; Y181-I187 HydrophobicContact CE1-CG1 3.94Å; Y181-I187 HydrophobicContact CE1-CG2 4.3Å; Y181-I187 HydrophobicContact CE2-CG1 4.38Å; Y181-I187 HydrophobicContact CG-CG1 4.34Å; I187-I189 HydrophobicContact CG2-CD1 4.43Å; I187-I189 HydrophobicContact CG2-CG1 3.83Å; I187-L207 HydrophobicContact CD1-CD1 4.4Å; I187-V245 WeakPolarHBondContact O-CA 3.37Å; I187-L246 PolarHBondContact N-O 2.84Å; I187-L246 PolarHBondContact O-N 2.87Å; I187-I248 HydrophobicContact CD1-CD1 3.99Å; I187-I248 HydrophobicContact CD1-CG1 3.86Å; I187-I248 HydrophobicContact CG1-CD1 3.81Å; I187-I248 HydrophobicContact CG1-CG1 3.94Å; I187-L286 HydrophobicContact CD1-CD1 3.63Å; I187-L286 HydrophobicContact CD1-CD2 4.49Å
188K97.6Very high94.8Very high109 Ų10936.9 Ų36.947%0.47421%0.209SC..EExtended strand (participates in β ladder)trans-88.3122.5170.9-63.4177.7-1731680109.4V245K188-V245 HydrophobicContact CG-CG2 4.34Å
189I98.1Very high94.6Very high0 Ų039.9 Ų39.90%022%0.217CC..EExtended strand (participates in β ladder)trans-119.4111-173.4-49.1161.6000107.6I174 I176 I187 V191 F205 T243 K244 L246 L268I174-I189 HydrophobicContact CG2-CG2 3.65Å; I176-I189 HydrophobicContact CG2-CB 4.42Å; I176-I189 HydrophobicContact CG2-CG1 4.14Å; I176-I189 HydrophobicContact CG2-CG2 4.32Å; I187-I189 HydrophobicContact CG2-CD1 4.43Å; I187-I189 HydrophobicContact CG2-CG1 3.83Å; I189-V191 HydrophobicContact CG2-CG2 3.73Å; I189-F205 HydrophobicContact CD1-CD1 4.05Å; I189-F205 HydrophobicContact CG2-CE1 4.33Å; I189-T243 CarbonylContact O-C 3.47Å; I189-T243 WeakPolarHBondContact O-CA 3.15Å; I189-K244 HydrophobicContact CB-CB 4.47Å; I189-K244 WeakPolarHBondContact CB-O 2.79Å; I189-K244 PolarHBondContact N-O 2.91Å; I189-K244 PolarHBondContact O-N 2.91Å; I189-L246 HydrophobicContact CD1-CB 4.47Å; I189-L246 HydrophobicContact CD1-CD1 3.78Å; I189-L246 HydrophobicContact CD1-CG 3.76Å; I189-L268 HydrophobicContact CB-CD2 4.49Å; I189-L268 HydrophobicContact CD1-CD1 3.52Å; I189-L268 HydrophobicContact CD1-CD2 3.92Å; I189-L268 HydrophobicContact CD1-CG 4.39Å; I189-L268 HydrophobicContact CG1-CD1 4.31Å; I189-L268 HydrophobicContact CG1-CD2 3.78Å; I189-L268 HydrophobicContact CG2-CD2 3.92Å
190L98.2Very high94.6Very high58 Ų5841.3 Ų41.330%0.30423%0.228SC..EExtended strand (participates in β ladder)trans-86.6120.7170.1177.767.8000108.3I174 H175 T241I174-L190 CarbonylContact C-O 3.57Å; I174-L190 WeakPolarHBondContact CA-O 3.41Å; H175-L190 HydrophobicContact CB-CB 4.21Å; H175-L190 HydrophobicContact CB-CD2 4.48Å; H175-L190 PolarHBondContact N-O 2.96Å; H175-L190 PolarHBondContact O-N 2.83Å; L190-T241 HydrophobicContact CD1-CG2 3.57Å
191V97.5Very high94.7Very high3 Ų340.9 Ų40.92%0.01822%0.223CC..EExtended strand (participates in β ladder)trans-118.5128.4177.8-176.20000109.7L172 D173 I189 I193 F205 T241 V242L172-V191 HydrophobicContact CD1-CG1 3.62Å; D173-V191 CarbonylContact O-C 3.58Å; D173-V191 WeakPolarHBondContact O-CA 3.32Å; I189-V191 HydrophobicContact CG2-CG2 3.73Å; V191-I193 HydrophobicContact CG1-CD1 4.06Å; V191-I193 HydrophobicContact CG1-CG1 3.89Å; V191-F205 HydrophobicContact CG2-CE1 3.5Å; V191-F205 VanDerWaalsContact CG2-CE1 3.5Å; V191-F205 HydrophobicContact CG2-CZ 3.94Å; V191-T241 CarbonylContact O-C 3.58Å; V191-T241 WeakPolarHBondContact O-CA 3.05Å; V191-V242 PolarHBondContact N-O 2.9Å; V191-V242 PolarHBondContact O-N 2.84Å
192E97.8Very high94.8Very high46 Ų4640.9 Ų40.922%0.21522%0.224CC..EExtended strand (participates in β ladder)trans-113.4128.5169-52.3-171.2-169.900109.2D173 R239 Q240 T241D173-E192 HydrophobicContact CB-CB 4.2Å; D173-E192 PolarHBondContact N-O 2.84Å; D173-E192 PolarHBondContact O-N 3.25Å; E192-R239 IonicContact OE2-CZ 2.8Å; E192-R239 IonicContact OE2-NH2 2.91Å; E192-R239 PolarHBondContact OE2-NH2 3.17Å; E192-Q240 WeakPolarHBondContact CA-O 3.38Å; E192-T241 HydrophobicContact CG-CG2 3.93Å
193I97.1Very high95.1Very high6 Ų639.1 Ų39.13%0.03122%0.216CC..EExtended strand (participates in β ladder)trans-123123.2177.2-61.6163.9000107.6I170 S171 L172 V191 N195 V201 P203 V234 R239 Q240 L272I170-I193 HydrophobicContact CG2-CG2 4.42Å; S171-I193 WeakPolarHBondContact O-CA 3.32Å; L172-I193 HydrophobicContact CD1-CD1 4.49Å; L172-I193 HydrophobicContact CD1-CG1 3.92Å; V191-I193 HydrophobicContact CG1-CD1 4.06Å; V191-I193 HydrophobicContact CG1-CG1 3.89Å; I193-N195 HydrophobicContact CG2-CB 4.4Å; I193-V201 HydrophobicContact CG2-CG2 4.3Å; I193-P203 HydrophobicContact CD1-CB 4.1Å; I193-P203 HydrophobicContact CD1-CG 3.95Å; I193-V234 HydrophobicContact CB-CG2 4.28Å; I193-V234 HydrophobicContact CD1-CG2 3.65Å; I193-V234 HydrophobicContact CG2-CB 4.37Å; I193-V234 HydrophobicContact CG2-CG1 4.14Å; I193-V234 HydrophobicContact CG2-CG2 4.19Å; I193-R239 WeakPolarHBondContact O-CA 3.46Å; I193-Q240 PolarHBondContact N-O 2.87Å; I193-Q240 PolarHBondContact O-N 2.79Å; I193-L272 HydrophobicContact CD1-CD2 3.62Å; I193-L272 HydrophobicContact CG1-CD2 4.18Å
194H96.3Very high95.6Very high69 Ų6938.3 Ų38.332%0.31921%0.209SC..EExtended strand (participates in β ladder)trans-107.3107.8168.1-166-167.8000107.8I170 S171 N196I170-H194 CarbonylContact C-O 3.56Å; I170-H194 VanDerWaalsContact CA-O 3.27Å; I170-H194 WeakPolarHBondContact CA-O 3.34Å; S171-H194 PolarHBondContact N-O 2.89Å; S171-H194 PolarHBondContact O-N 2.88Å; S171-H194 WeakPolarHBondContact OG-CB 3.28Å; H194-N196 PolarHBondContact CD2-OD1 2.76Å; H194-N196 PolarHBondContact CE1-ND2 2.78Å; H194-N196 PolarHBondContact ND1-ND2 3.43Å; H194-N196 PolarHBondContact NE2-ND2 2.98Å; H194-N196 PolarHBondContact NE2-OD1 2.93Å
195N95.8Very high95.9Very high0 Ų036.7 Ų36.70%019%0.191CC..EExtended strand (participates in β ladder)trans-106.587.2-178.3-177.910.9000109.5I193 S197 R199 V234 T235 S237 T238I193-N195 HydrophobicContact CG2-CB 4.4Å; N195-S197 PolarHBondContact O-N 2.74Å; N195-S197 WeakPolarHBondContact OD1-CB 3.4Å; N195-S197 PolarHBondContact OD1-N 2.79Å; N195-S197 PolarHBondContact OD1-OG 3.04Å; N195-R199 PolarHBondContact ND2-O 3.16Å; N195-V234 HydrophobicContact CB-CG1 4.2Å; N195-V234 PolarHBondContact ND2-O 2.9Å; N195-T235 PolarHBondContact ND2-O 3.02Å; N195-T235 VanDerWaalsContact ND2-O 3.09Å; N195-S237 CarbonylContact O-C 3.49Å; N195-S237 WeakPolarHBondContact O-CA 3.41Å; N195-S237 PolarHBondContact O-N 2.91Å; N195-T238 PolarHBondContact N-O 3.15Å; N195-T238 PolarHBondContact O-N 3.1Å; N195-T238 VanDerWaalsContact O-N 3.12Å
196N94.6Very high96.1Very high54 Ų5433.8 Ų33.829%0.28918%0.177SC..  trans-85.88.9173.1-64.3-37.5000112.8D169 H194D169-N196 CarbonylContact O-C 3.51Å; D169-N196 WeakPolarHBondContact O-CA 3.14Å; D169-N196 WeakPolarHBondContact O-CB 3.27Å; D169-N196 PolarHBondContact O-N 2.85Å; D169-N196 WeakPolarHBondContact OD1-CB 3.48Å; D169-N196 PolarHBondContact OD1-ND2 2.88Å; D169-N196 VanDerWaalsContact OD1-ND2 3.16Å; H194-N196 PolarHBondContact CD2-OD1 2.76Å; H194-N196 PolarHBondContact CE1-ND2 2.78Å; H194-N196 PolarHBondContact ND1-ND2 3.43Å; H194-N196 PolarHBondContact NE2-ND2 2.98Å; H194-N196 PolarHBondContact NE2-OD1 2.93Å
197S92.7Very high96.2Very high1 Ų131.4 Ų31.41%0.00716%0.157CC..SBendtrans-82.3174.3175.887.30000111.7D169 N195 R199 A236 S237D169-S197 PolarHBondContact O-N 2.91Å; N195-S197 PolarHBondContact O-N 2.74Å; N195-S197 WeakPolarHBondContact OD1-CB 3.4Å; N195-S197 PolarHBondContact OD1-N 2.79Å; N195-S197 PolarHBondContact OD1-OG 3.04Å; S197-R199 VanDerWaalsContact C-N 3.32Å; S197-R199 PolarHBondContact OG-N 2.91Å; S197-R199 VanDerWaalsContact OG-N 3.13Å; S197-R199 PolarHBondContact OG-O 2.81Å; S197-A236 WeakPolarHBondContact O-CA 3.28Å; S197-A236 VanDerWaalsContact O-CB 3.31Å; S197-A236 WeakPolarHBondContact O-CB 3.34Å; S197-S237 PolarHBondContact O-N 2.76Å
198T92.5Very high96.3Very high99 Ų9931.4 Ų31.461%0.60716%0.157SC*.SBendtrans-87.33.2174.255.60000113.7A236T198-A236 VanDerWaalsContact C-CB 3.48Å
199R91Very high96.3Very high91 Ų9127.1 Ų27.134%0.34314%0.139SC..SBendtrans-116.6147.6-171-59175.9-175.3-127.3-0.3110.9N195 S197 P275 T276N195-R199 PolarHBondContact ND2-O 3.16Å; S197-R199 VanDerWaalsContact C-N 3.32Å; S197-R199 PolarHBondContact OG-N 2.91Å; S197-R199 VanDerWaalsContact OG-N 3.13Å; S197-R199 PolarHBondContact OG-O 2.81Å; R199-P275 PolarHBondContact NH1-O 2.83Å; R199-T276 PolarHBondContact NH1-OG1 2.8Å
200T95.1Very high96.2Very high64 Ų6427.9 Ų27.939%0.39314%0.142SC..  trans-76.1135.1166.5-58.70000109.6P233 V234 P275T200-P233 HydrophobicContact CG2-CB 3.62Å; T200-V234 WeakPolarHBondContact CA-O 3.45Å; T200-V234 WeakPolarHBondContact CG2-O 3.33Å; T200-P275 WeakPolarHBondContact O-CD 3.26Å
201V95Very high96.2Very high0 Ų025.7 Ų25.70%013%0.131CC..BIsolated β-bridgetrans-119.4153.4176.1-62.60000110.8I170 I193 P233 V234 D273 V274I170-V201 HydrophobicContact CD1-CG1 3.53Å; I193-V201 HydrophobicContact CG2-CG2 4.3Å; V201-P233 CarbonylContact O-C 3.46Å; V201-P233 WeakPolarHBondContact O-CA 3.33Å; V201-V234 HydrophobicContact CG2-CB 3.99Å; V201-V234 HydrophobicContact CG2-CG2 4.48Å; V201-V234 PolarHBondContact N-O 2.85Å; V201-V234 PolarHBondContact O-N 2.8Å; V201-D273 WeakPolarHBondContact CA-O 3.26Å; V201-V274 HydrophobicContact CG1-CB 4.4Å; V201-V274 HydrophobicContact CG1-CG1 4.27Å; V201-V274 HydrophobicContact CG1-CG2 3.88Å
202T96.6Very high96.2Very high12 Ų1225.5 Ų25.57%0.07413%0.13CC..EExtended strand (participates in β ladder)trans-129.7123.3178.5-50.90000111.3R230 G231 D273T202-R230 HydrophobicContact CG2-CG 3.67Å; T202-G231 VanDerWaalsContact CG2-O 3.28Å; T202-G231 WeakPolarHBondContact CG2-O 3.47Å; T202-D273 PolarHBondContact N-O 3.42Å; T202-D273 WeakPolarHBondContact O-CB 3.23Å; T202-D273 PolarHBondContact O-N 3.4Å
203P97Very high96.2Very high8 Ų823.3 Ų23.35%0.05212%0.12CC..EExtended strand (participates in β ladder)trans-71.6139.517528.7-31.5000111.9I193 F205 G231 D232 T271 L272I193-P203 HydrophobicContact CD1-CB 4.1Å; I193-P203 HydrophobicContact CD1-CG 3.95Å; P203-F205 HydrophobicContact CB-CE2 3.82Å; P203-F205 HydrophobicContact CB-CZ 4.06Å; P203-F205 HydrophobicContact CG-CE2 4.01Å; P203-F205 HydrophobicContact CG-CZ 4.33Å; P203-G231 PolarHBondContact O-N 3.36Å; P203-D232 VanDerWaalsContact CD-O 3.27Å; P203-D232 WeakPolarHBondContact CD-O 3.39Å; P203-T271 CarbonylContact C-O 3.56Å; P203-T271 VanDerWaalsContact CA-O 3.3Å; P203-T271 WeakPolarHBondContact CA-O 3.5Å; P203-L272 HydrophobicContact CB-CD2 3.85Å
204N97.4Very high96.2Very high15 Ų1525.8 Ų25.88%0.0813%0.13CC..EExtended strand (participates in β ladder)trans-119.8135.8168.9-63.7-85.5000108.9Y206 E229 V270 T271N204-Y206 HydrophobicContact CB-CD2 4.43Å; N204-Y206 HydrophobicContact CB-CE2 3.47Å; N204-Y206 VanDerWaalsContact CB-CE2 3.47Å; N204-E229 CarbonylContact C-O 3.48Å; N204-E229 WeakPolarHBondContact CA-O 3.47Å; N204-V270 CarbonylContact O-C 3.56Å; N204-V270 VanDerWaalsContact O-CA 3.24Å; N204-V270 WeakPolarHBondContact O-CA 3.49Å; N204-T271 PolarHBondContact N-O 3.41Å; N204-T271 PolarHBondContact O-N 3.49Å
205F98.1Very high96.3Very high2 Ų222.9 Ų22.91%0.00912%0.118CC..EExtended strand (participates in β ladder)trans-115.8135.3-174.2-58.9-99.6000109.8I189 V191 P203 K228 E229 K244 L246 V270I189-F205 HydrophobicContact CD1-CD1 4.05Å; I189-F205 HydrophobicContact CG2-CE1 4.33Å; V191-F205 HydrophobicContact CG2-CE1 3.5Å; V191-F205 VanDerWaalsContact CG2-CE1 3.5Å; V191-F205 HydrophobicContact CG2-CZ 3.94Å; P203-F205 HydrophobicContact CB-CE2 3.82Å; P203-F205 HydrophobicContact CB-CZ 4.06Å; P203-F205 HydrophobicContact CG-CE2 4.01Å; P203-F205 HydrophobicContact CG-CZ 4.33Å; F205-K228 WeakPolarHBondContact O-CA 3.48Å; F205-E229 PolarHBondContact N-O 3.12Å; F205-E229 PolarHBondContact O-N 3.37Å; F205-K244 HydrophobicContact CD1-CB 4.18Å; F205-K244 HydrophobicContact CD1-CG 3.95Å; F205-K244 HydrophobicContact CD2-CG 4.07Å; F205-K244 HydrophobicContact CE1-CB 3.67Å; F205-K244 HydrophobicContact CE1-CG 3.89Å; F205-K244 HydrophobicContact CE2-CB 4.37Å; F205-K244 HydrophobicContact CE2-CD 4.44Å; F205-K244 HydrophobicContact CE2-CG 4.07Å; F205-K244 HydrophobicContact CG-CG 4.03Å; F205-K244 HydrophobicContact CZ-CB 3.8Å; F205-K244 HydrophobicContact CZ-CG 3.98Å; F205-L246 HydrophobicContact CB-CD1 4.15Å; F205-L246 HydrophobicContact CB-CD2 4.37Å; F205-V270 HydrophobicContact CD1-CG1 4.26Å; F205-V270 HydrophobicContact CD1-CG2 3.71Å; F205-V270 HydrophobicContact CE1-CG1 4.27Å; F205-V270 HydrophobicContact CE1-CG2 4.19Å; F205-V270 HydrophobicContact CG-CG2 4.49Å
206Y97.9Very high95.9Very high21 Ų2129.5 Ų29.58%0.08215%0.147CC..EExtended strand (participates in β ladder)trans-137136.2-176.2-52.6-105.7000111.1N204 D225 I227 K228 K269 T271N204-Y206 HydrophobicContact CB-CD2 4.43Å; N204-Y206 HydrophobicContact CB-CE2 3.47Å; N204-Y206 VanDerWaalsContact CB-CE2 3.47Å; Y206-D225 HydrophobicContact CD1-CB 4.23Å; Y206-D225 VanDerWaalsContact CD1-OD2 3.28Å; Y206-D225 WeakPolarHBondContact CD1-OD2 3.45Å; Y206-I227 WeakPolarHBondContact CA-O 3.31Å; Y206-K228 HydrophobicContact CD1-CB 3.95Å; Y206-K228 HydrophobicContact CD1-CD 4.28Å; Y206-K228 HydrophobicContact CD1-CG 3.85Å; Y206-K228 HydrophobicContact CE1-CB 4.05Å; Y206-K228 HydrophobicContact CE1-CD 3.51Å; Y206-K228 HydrophobicContact CE1-CG 3.46Å; Y206-K228 VanDerWaalsContact CE1-CG 3.46Å; Y206-K228 VanDerWaalsContact OH-CE 3.26Å; Y206-K228 WeakPolarHBondContact OH-CE 2.89Å; Y206-K269 HydrophobicContact CD2-CD 4.4Å; Y206-K269 HydrophobicContact CD2-CG 4.27Å; Y206-K269 WeakPolarHBondContact CD2-O 3.48Å; Y206-K269 PolarHBondContact N-O 3.37Å; Y206-K269 PolarHBondContact O-N 2.82Å; Y206-T271 HydrophobicContact CE2-CG2 4.09Å
207L98Very high95.6Very high1 Ų136.7 Ų36.71%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-95.5111.815817960.9000107.4I187 I226 I227 I248 L252 L286I187-L207 HydrophobicContact CD1-CD1 4.4Å; L207-I226 HydrophobicContact CD2-CD1 4.49Å; L207-I226 HydrophobicContact CG-CB 4.47Å; L207-I226 HydrophobicContact CG-CD1 4.28Å; L207-I226 WeakPolarHBondContact O-CA 3.31Å; L207-I226 WeakPolarHBondContact O-CB 3.4Å; L207-I226 PolarHBondContact O-N 2.87Å; L207-I227 HydrophobicContact CB-CB 3.97Å; L207-I227 HydrophobicContact CB-CD1 4.3Å; L207-I227 HydrophobicContact CB-CG1 4.34Å; L207-I227 HydrophobicContact CD2-CD1 4.1Å; L207-I227 PolarHBondContact N-O 3.06Å; L207-I227 PolarHBondContact O-N 2.83Å; L207-I248 HydrophobicContact CD2-CG1 4.39Å; L207-L252 HydrophobicContact CD2-CD1 3.86Å; L207-L286 HydrophobicContact CD1-CD1 3.47Å; L207-L286 VanDerWaalsContact CD1-CD1 3.47Å
208C97.4Very high95.6Very high0 Ų040.4 Ų40.40%019%0.194CC..EExtended strand (participates in β ladder)trans-104.3137.6-178.3-57.50000110.9T223 N224 D225 Y266 R267 K269C208-T223 HydrophobicContact CB-CG2 4.45Å; C208-N224 WeakPolarHBondContact CA-O 3.39Å; C208-D225 PolarHBondContact SG-OD1 2.91Å; C208-Y266 CarbonylContact O-C 3.56Å; C208-Y266 VanDerWaalsContact O-CA 3.28Å; C208-Y266 WeakPolarHBondContact O-CA 3.14Å; C208-R267 HydrophobicContact CB-CB 4.26Å; C208-R267 PolarHBondContact N-O 3.28Å; C208-R267 PolarHBondContact O-N 3.19Å; C208-K269 VanDerWaalsContact SG-CE 3.56Å
209E97.3Very high95.8Very high19 Ų1941.3 Ų41.39%0.08919%0.187CC..EExtended strand (participates in β ladder)trans-92.7131162.6-173.2177.892.600109.6Q211 T223 N224 I226 L264 Y266E209-Q211 HydrophobicContact CG-CG 4.3Å; E209-Q211 PolarHBondContact OE1-NE2 2.84Å; E209-T223 CarbonylContact O-C 3.51Å; E209-T223 VanDerWaalsContact O-CA 3.28Å; E209-T223 WeakPolarHBondContact O-CA 3.49Å; E209-N224 HydrophobicContact CB-CB 4.35Å; E209-N224 PolarHBondContact N-O 2.88Å; E209-N224 PolarHBondContact O-N 2.85Å; E209-I226 HydrophobicContact CB-CD1 3.7Å; E209-I226 HydrophobicContact CB-CG1 4.08Å; E209-L264 HydrophobicContact CG-CD1 3.38Å; E209-Y266 HydrophobicContact CB-CD1 4.2Å; E209-Y266 HydrophobicContact CB-CE1 3.86Å; E209-Y266 HydrophobicContact CG-CD1 4.41Å; E209-Y266 HydrophobicContact CG-CE1 3.78Å; E209-Y266 PolarHBondContact OE2-OH 2.87Å
210E97.5Very high96Very high16 Ų1638.3 Ų38.38%0.07518%0.177CC..EExtended strand (participates in β ladder)trans-122.5112.2173.2-68.3-174.3170.400110.2I221 T223 E265 R267 K283E210-I221 HydrophobicContact CB-CG2 4.46Å; E210-T223 HydrophobicContact CG-CG2 4.22Å; E210-E265 PolarHBondContact N-O 3.37Å; E210-E265 PolarHBondContact O-N 2.86Å; E210-R267 HydrophobicContact CG-CG 4.34Å; E210-R267 IonicContact OE2-NE 2.78Å; E210-K283 IonicContact OE1-NZ 2.91Å; E210-K283 PolarHBondContact OE1-NZ 2.8Å
211Q97.9Very high96.1Very high12 Ų1238.5 Ų38.56%0.05618%0.175CC..EExtended strand (participates in β ladder)trans-97.9113.2174-51.3-17510.400109.4Y111 E209 F213 I221 Y222 K263 L264Y111-Q211 VanDerWaalsContact OH-CD 3.31Å; Y111-Q211 PolarHBondContact OH-NE2 2.91Å; Y111-Q211 VanDerWaalsContact OH-NE2 3.16Å; E209-Q211 HydrophobicContact CG-CG 4.3Å; E209-Q211 PolarHBondContact OE1-NE2 2.84Å; Q211-F213 HydrophobicContact CB-CE2 3.62Å; Q211-F213 HydrophobicContact CB-CZ 3.68Å; Q211-F213 WeakPolarHBondContact O-CD2 3.21Å; Q211-F213 VanDerWaalsContact O-CE2 3.31Å; Q211-F213 WeakPolarHBondContact O-CE2 3.39Å; Q211-I221 WeakPolarHBondContact O-CA 3.28Å; Q211-Y222 HydrophobicContact CB-CD1 4.49Å; Q211-Y222 HydrophobicContact CG-CD1 4.18Å; Q211-Y222 PolarHBondContact N-O 2.92Å; Q211-Y222 PolarHBondContact O-N 2.8Å; Q211-K263 CarbonylContact C-O 3.58Å; Q211-K263 WeakPolarHBondContact CA-O 2.89Å; Q211-L264 HydrophobicContact CG-CD1 3.92Å
212S97.7Very high96.2Very high0 Ų041.8 Ų41.80%019%0.188CC..EExtended strand (participates in β ladder)trans-103127.5179.5-61.90000111.5R219 L262 K263S212-R219 PolarHBondContact OG-NE 2.89Å; S212-R219 PolarHBondContact OG-NH2 3.01Å; S212-L262 CarbonylContact O-C 3.6Å; S212-L262 VanDerWaalsContact O-CA 3.27Å; S212-L262 WeakPolarHBondContact O-CA 3.27Å; S212-K263 PolarHBondContact N-O 2.91Å; S212-K263 PolarHBondContact O-N 2.77Å
213F98.1Very high96.2Very high0 Ų044.2 Ų44.20%020%0.203CC..EExtended strand (participates in β ladder)trans-117.9134.3-179.8-51-93.6000109.8V52 W54 K114 W115 G116 Q211 R219 N220 I261 L262V52-F213 HydrophobicContact CB-CB 4.37Å; V52-F213 HydrophobicContact CB-CD1 4.23Å; V52-F213 HydrophobicContact CG1-CB 4.41Å; V52-F213 HydrophobicContact CG1-CD1 3.87Å; W54-F213 HydrophobicContact CE3-CB 4Å; W54-F213 HydrophobicContact CH2-CB 4.29Å; W54-F213 HydrophobicContact CZ3-CB 3.69Å; K114-F213 HydrophobicContact CB-CE2 4.46Å; K114-F213 HydrophobicContact CB-CZ 4.07Å; W115-F213 VanDerWaalsContact C-CE1 3.44Å; W115-F213 HydrophobicContact CB-CD1 3.92Å; W115-F213 HydrophobicContact CB-CD2 4.3Å; W115-F213 HydrophobicContact CB-CE1 3.9Å; W115-F213 HydrophobicContact CB-CE2 4.24Å; W115-F213 HydrophobicContact CB-CG 4.14Å; W115-F213 HydrophobicContact CB-CZ 4.06Å; W115-F213 HydrophobicContact CD2-CD2 4.47Å; W115-F213 HydrophobicContact CD2-CE2 4.29Å; W115-F213 AromaticContact CE3-CD2 3.5Å; W115-F213 HydrophobicContact CE3-CD2 3.5Å; W115-F213 VanDerWaalsContact CE3-CD2 3.5Å; W115-F213 AromaticContact CE3-CE2 3.48Å; W115-F213 HydrophobicContact CE3-CE2 3.48Å; W115-F213 VanDerWaalsContact CE3-CE2 3.48Å; W115-F213 HydrophobicContact CE3-CG 4.32Å; W115-F213 HydrophobicContact CE3-CZ 4.31Å; W115-F213 HydrophobicContact CZ3-CD2 4.21Å; W115-F213 HydrophobicContact CZ3-CE2 4.16Å; G116-F213 VanDerWaalsContact N-CE1 3.27Å; Q211-F213 HydrophobicContact CB-CE2 3.62Å; Q211-F213 HydrophobicContact CB-CZ 3.68Å; Q211-F213 WeakPolarHBondContact O-CD2 3.21Å; Q211-F213 VanDerWaalsContact O-CE2 3.31Å; Q211-F213 WeakPolarHBondContact O-CE2 3.39Å; F213-R219 CarbonylContact O-C 3.54Å; F213-R219 VanDerWaalsContact O-CA 3.29Å; F213-R219 WeakPolarHBondContact O-CA 3.27Å; F213-N220 PolarHBondContact N-O 2.67Å; F213-N220 PolarHBondContact O-N 2.78Å; F213-I261 WeakPolarHBondContact CA-O 3.36Å; F213-L262 HydrophobicContact CD1-CD1 3.37Å; F213-L262 HydrophobicContact CE1-CD1 3.2Å; F213-L262 HydrophobicContact CG-CD1 4.26Å; F213-L262 HydrophobicContact CZ-CD1 4.02Å
214F97.3Very high96.1Very high57 Ų5747 Ų4725%0.2522%0.218CC..EExtended strand (participates in β ladder)trans-125.9127-174.9-52.1-99.2000111.7V52 K218 R219 I261 K263V52-F214 WeakPolarHBondContact CG2-O 3.36Å; F214-K218 WeakPolarHBondContact CA-O 3.5Å; F214-R219 HydrophobicContact CD1-CB 3.93Å; F214-R219 HydrophobicContact CD1-CG 3.95Å; F214-R219 HydrophobicContact CE1-CB 3.95Å; F214-R219 HydrophobicContact CE1-CG 3.57Å; F214-R219 HydrophobicContact CZ-CG 4.04Å; F214-I261 PolarHBondContact N-O 2.65Å; F214-K263 HydrophobicContact CE2-CD 4.14Å; F214-K263 HydrophobicContact CE2-CG 4.09Å; F214-K263 HydrophobicContact CZ-CD 4.39Å
215A96.4Very high96.1Very high8 Ų849.4 Ų49.47%0.06623%0.23CC..EExtended strand (participates in β ladder)trans-158.5138.8178.600000110.5V52 W54 S66 H217 K218V52-A215 HydrophobicContact CG2-CB 4.31Å; W54-A215 HydrophobicContact CH2-CB 3.45Å; W54-A215 VanDerWaalsContact CH2-CB 3.45Å; W54-A215 HydrophobicContact CZ2-CB 4.34Å; W54-A215 HydrophobicContact CZ3-CB 3.61Å; S66-A215 VanDerWaalsContact C-CB 3.5Å; S66-A215 WeakPolarHBondContact O-CB 3.49Å; A215-H217 PolarHBondContact O-N 3.19Å; A215-H217 VanDerWaalsContact O-N 3.15Å; A215-K218 PolarHBondContact N-O 2.84Å; A215-K218 PolarHBondContact O-N 3.31Å
216K88.6Confident96Very high140 Ų14051.6 Ų51.661%0.60924%0.241SC*.THydrogen-bonded Turntrans46.843.6178.4-58.8-179.8175.41760113.4Y65 K218Y65-K216 HydrophobicContact CD1-CB 4.27Å; Y65-K216 HydrophobicContact CD1-CD 4.33Å; K216-K218 PolarHBondContact O-N 2.84Å; K216-K218 VanDerWaalsContact O-N 3.1Å
217H87.4Confident95.9Very high204 Ų20451.9 Ų51.994%0.94424%0.244SC*.THydrogen-bonded Turntrans64.34.9-177-47.1-77.9000116.2A215A215-H217 PolarHBondContact O-N 3.19Å; A215-H217 VanDerWaalsContact O-N 3.15Å
218K93.5Very high95.9Very high80 Ų8058.5 Ų58.535%0.34827%0.273SS..EExtended strand (participates in β ladder)trans-95.5146.1169.4-72.3-129178.2172.30111.2W54 E56 E58 Y65 F214 A215 K216W54-K218 HydrophobicContact CZ2-CB 4.29Å; E56-K218 IonicContact OE2-NZ 3.09Å; E58-K218 IonicContact OE1-NZ 3.89Å; E58-K218 PolarHBondContact OE1-NZ 2.86Å; Y65-K218 HydrophobicContact CD1-CB 4.16Å; Y65-K218 HydrophobicContact CD1-CG 4.38Å; Y65-K218 HydrophobicContact CE1-CB 3.97Å; Y65-K218 HydrophobicContact CE1-CD 3.94Å; Y65-K218 HydrophobicContact CE1-CG 3.69Å; Y65-K218 HydrophobicContact CE2-CD 4.49Å; Y65-K218 WeakPolarHBondContact OH-CD 3.38Å; Y65-K218 VanDerWaalsContact OH-CE 3.3Å; Y65-K218 WeakPolarHBondContact OH-CE 3.44Å; Y65-K218 PolarHBondContact OH-NZ 2.91Å; F214-K218 WeakPolarHBondContact CA-O 3.5Å; A215-K218 PolarHBondContact N-O 2.84Å; A215-K218 PolarHBondContact O-N 3.31Å; K216-K218 PolarHBondContact O-N 2.84Å; K216-K218 VanDerWaalsContact O-N 3.1Å
219R95.6Very high95.9Very high118 Ų11861.6 Ų61.645%0.44529%0.287SS..EExtended strand (participates in β ladder)trans-114.6127.5171.4-179.8-173.3-178.2-170.2-2.5108S212 F213 F214 I221 E265S212-R219 PolarHBondContact OG-NE 2.89Å; S212-R219 PolarHBondContact OG-NH2 3.01Å; F213-R219 CarbonylContact O-C 3.54Å; F213-R219 VanDerWaalsContact O-CA 3.29Å; F213-R219 WeakPolarHBondContact O-CA 3.27Å; F214-R219 HydrophobicContact CD1-CB 3.93Å; F214-R219 HydrophobicContact CD1-CG 3.95Å; F214-R219 HydrophobicContact CE1-CB 3.95Å; F214-R219 HydrophobicContact CE1-CG 3.57Å; F214-R219 HydrophobicContact CZ-CG 4.04Å; R219-I221 HydrophobicContact CG-CG1 4Å; R219-E265 IonicContact NH2-OE2 3.73Å
220N96.3Very high95.9Very high27 Ų2768 Ų6814%0.14431%0.311CS..EExtended strand (participates in β ladder)trans-111139.2166.5-160.2-43.3000108.8W54 E56 W115 F213W54-N220 HydrophobicContact CD2-CB 4.03Å; W54-N220 HydrophobicContact CG-CB 4.3Å; W54-N220 HydrophobicContact CH2-CB 4.47Å; W54-N220 HydrophobicContact CZ2-CB 3.84Å; W54-N220 PolarHBondContact NE1-ND2 2.79Å; E56-N220 PolarHBondContact OE1-ND2 3.38Å; W115-N220 HydrophobicContact CE3-CB 4.42Å; W115-N220 WeakPolarHBondContact CH2-OD1 3.34Å; W115-N220 HydrophobicContact CZ3-CB 4.29Å; W115-N220 WeakPolarHBondContact CZ3-OD1 3.38Å; F213-N220 PolarHBondContact N-O 2.67Å; F213-N220 PolarHBondContact O-N 2.78Å
221I96.6Very high95.8Very high69 Ų6968 Ų6835%0.35432%0.315SS..EExtended strand (participates in β ladder)trans-122.3121.8-177.1-54.7174.4000107.5E210 Q211 R219E210-I221 HydrophobicContact CB-CG2 4.46Å; Q211-I221 WeakPolarHBondContact O-CA 3.28Å; R219-I221 HydrophobicContact CG-CG1 4Å
222Y97.1Very high95.7Very high69 Ų6972.8 Ų72.827%0.27134%0.341SS..EExtended strand (participates in β ladder)trans-99.6124.2166175.2-107.6000108.4K114 W115 Q211 N224K114-Y222 HydrophobicContact CB-CD1 3.9Å; K114-Y222 HydrophobicContact CB-CE1 4.39Å; K114-Y222 HydrophobicContact CB-CG 3.95Å; K114-Y222 HydrophobicContact CD-CD2 4.43Å; K114-Y222 HydrophobicContact CD-CE2 4.3Å; K114-Y222 HydrophobicContact CG-CD1 4.29Å; K114-Y222 HydrophobicContact CG-CD2 4.05Å; K114-Y222 HydrophobicContact CG-CE2 4.42Å; K114-Y222 HydrophobicContact CG-CG 3.99Å; W115-Y222 HydrophobicContact CH2-CD2 4.46Å; Q211-Y222 HydrophobicContact CB-CD1 4.49Å; Q211-Y222 HydrophobicContact CG-CD1 4.18Å; Q211-Y222 PolarHBondContact N-O 2.92Å; Q211-Y222 PolarHBondContact O-N 2.8Å; Y222-N224 HydrophobicContact CE1-CB 4.07Å
223T96.6Very high95.6Very high62 Ų6276.5 Ų76.538%0.3837%0.365SS..EExtended strand (participates in β ladder)trans-112.4136.8176.8-57.10000109.9C208 E209 E210C208-T223 HydrophobicContact CB-CG2 4.45Å; E209-T223 CarbonylContact O-C 3.51Å; E209-T223 VanDerWaalsContact O-CA 3.28Å; E209-T223 WeakPolarHBondContact O-CA 3.49Å; E210-T223 HydrophobicContact CG-CG2 4.22Å
224N96Very high95.5Very high68 Ų6876.6 Ų76.636%0.36437%0.365SS..EExtended strand (participates in β ladder)trans-131.6126.9173.2-176.346.9000109.7C208 E209 Y222 I226C208-N224 WeakPolarHBondContact CA-O 3.39Å; E209-N224 HydrophobicContact CB-CB 4.35Å; E209-N224 PolarHBondContact N-O 2.88Å; E209-N224 PolarHBondContact O-N 2.85Å; Y222-N224 HydrophobicContact CE1-CB 4.07Å; N224-I226 PolarHBondContact O-N 2.85Å
225D96.5Very high95.4Very high65 Ų6577.6 Ų77.635%0.34838%0.376SS..EExtended strand (participates in β ladder)trans-83.1108.2174.9-72.7-9.2000108Y206 C208 K269Y206-D225 HydrophobicContact CD1-CB 4.23Å; Y206-D225 VanDerWaalsContact CD1-OD2 3.28Å; Y206-D225 WeakPolarHBondContact CD1-OD2 3.45Å; C208-D225 PolarHBondContact SG-OD1 2.91Å; D225-K269 VanDerWaalsContact CG-NZ 3.3Å; D225-K269 IonicContact OD1-NZ 3.89Å; D225-K269 PolarHBondContact OD1-NZ 2.84Å; D225-K269 IonicContact OD2-NZ 3.99Å; D225-K269 PolarHBondContact OD2-NZ 2.84Å
226I96.4Very high95.3Very high47 Ų4778.9 Ų78.924%0.24139%0.387CS..EExtended strand (participates in β ladder)trans-78.3-45.4-176.9-60.3161.2000110.7L207 E209 N224 P249 L252 Y266L207-I226 HydrophobicContact CD2-CD1 4.49Å; L207-I226 HydrophobicContact CG-CB 4.47Å; L207-I226 HydrophobicContact CG-CD1 4.28Å; L207-I226 WeakPolarHBondContact O-CA 3.31Å; L207-I226 WeakPolarHBondContact O-CB 3.4Å; L207-I226 PolarHBondContact O-N 2.87Å; E209-I226 HydrophobicContact CB-CD1 3.7Å; E209-I226 HydrophobicContact CB-CG1 4.08Å; N224-I226 PolarHBondContact O-N 2.85Å; I226-P249 HydrophobicContact CG2-CG 4.05Å; I226-L252 HydrophobicContact CD1-CD1 3.97Å; I226-L252 HydrophobicContact CD1-CD2 3.53Å; I226-L252 HydrophobicContact CD1-CG 4.43Å; I226-L252 HydrophobicContact CG1-CD2 4.3Å; I226-L252 HydrophobicContact CG2-CD1 4.4Å; I226-L252 HydrophobicContact CG2-CD2 4.24Å; I226-Y266 HydrophobicContact CD1-CD1 3.85Å; I226-Y266 HydrophobicContact CD1-CE1 3.56Å
227I96.7Very high95.6Very high28 Ų2876.6 Ų76.614%0.14439%0.389CS..EExtended strand (participates in β ladder)trans-121.6141.9174.8-65.6170.3000107.8Y206 L207 E229 L246 T247 P249Y206-I227 WeakPolarHBondContact CA-O 3.31Å; L207-I227 HydrophobicContact CB-CB 3.97Å; L207-I227 HydrophobicContact CB-CD1 4.3Å; L207-I227 HydrophobicContact CB-CG1 4.34Å; L207-I227 HydrophobicContact CD2-CD1 4.1Å; L207-I227 PolarHBondContact N-O 3.06Å; L207-I227 PolarHBondContact O-N 2.83Å; I227-E229 HydrophobicContact CG2-CG 3.91Å; I227-L246 HydrophobicContact CG2-CD2 4.13Å; I227-T247 WeakPolarHBondContact CD1-O 3.3Å; I227-P249 HydrophobicContact CD1-CG 4.28Å
228K97Very high96Very high139 Ų13969.1 Ų69.160%0.60436%0.358SS*.EExtended strand (participates in β ladder)trans-137115.8168179.1177.1-174.1167.80108.9F205 Y206F205-K228 WeakPolarHBondContact O-CA 3.48Å; Y206-K228 HydrophobicContact CD1-CB 3.95Å; Y206-K228 HydrophobicContact CD1-CD 4.28Å; Y206-K228 HydrophobicContact CD1-CG 3.85Å; Y206-K228 HydrophobicContact CE1-CB 4.05Å; Y206-K228 HydrophobicContact CE1-CD 3.51Å; Y206-K228 HydrophobicContact CE1-CG 3.46Å; Y206-K228 VanDerWaalsContact CE1-CG 3.46Å; Y206-K228 VanDerWaalsContact OH-CE 3.26Å; Y206-K228 WeakPolarHBondContact OH-CE 2.89Å
229E97.4Very high96Very high65 Ų6573.3 Ų73.330%0.30437%0.371SS..EExtended strand (participates in β ladder)trans-125.2139175.9-69.1-169.8-155.200111N204 F205 I227 K244 L246N204-E229 CarbonylContact C-O 3.48Å; N204-E229 WeakPolarHBondContact CA-O 3.47Å; F205-E229 PolarHBondContact N-O 3.12Å; F205-E229 PolarHBondContact O-N 3.37Å; I227-E229 HydrophobicContact CG2-CG 3.91Å; E229-K244 WeakPolarHBondContact OE2-CE 3.29Å; E229-K244 IonicContact OE2-NZ 2.76Å; E229-K244 PolarHBondContact OE2-NZ 3.03Å; E229-L246 HydrophobicContact CB-CD2 4.13Å; E229-L246 VanDerWaalsContact CD-CD2 3.48Å; E229-L246 HydrophobicContact CG-CD2 3.97Å
230R96.7Very high96.1Very high154 Ų15470.5 Ų70.558%0.58136%0.363SS*.EExtended strand (participates in β ladder)trans-92.9137.9173.8-161.1174-162.9-167.95.1109T202 D273T202-R230 HydrophobicContact CG2-CG 3.67Å; R230-D273 IonicContact NH2-OD2 2.67Å; R230-D273 PolarHBondContact NH2-OD2 2.97Å; R230-D273 VanDerWaalsContact NH2-OD2 3.09Å
231G95.6Very high96.1Very high15 Ų1572.8 Ų72.816%0.15538%0.378CS..  trans-92.1-174.6169.800000112.3T202 P203T202-G231 VanDerWaalsContact CG2-O 3.28Å; T202-G231 WeakPolarHBondContact CG2-O 3.47Å; P203-G231 PolarHBondContact O-N 3.36Å
232D95.4Very high95.9Very high114 Ų11471.9 Ų71.961%0.6138%0.376SS*.  trans-78.4145179-60.6-43.7000111.5P203P203-D232 VanDerWaalsContact CD-O 3.27Å; P203-D232 WeakPolarHBondContact CD-O 3.39Å
233P96.3Very high95.9Very high78 Ų7873 Ų7351%0.50639%0.39SS..  trans-64.5138.3177-19.531.7000112.4T200 V201T200-P233 HydrophobicContact CG2-CB 3.62Å; V201-P233 CarbonylContact O-C 3.46Å; V201-P233 WeakPolarHBondContact O-CA 3.33Å
234V96Very high95.9Very high1 Ų172.3 Ų72.31%0.00638%0.382CS..BIsolated β-bridgetrans-103113173.8-167.40000108.8I193 N195 T200 V201 T238 Q240I193-V234 HydrophobicContact CB-CG2 4.28Å; I193-V234 HydrophobicContact CD1-CG2 3.65Å; I193-V234 HydrophobicContact CG2-CB 4.37Å; I193-V234 HydrophobicContact CG2-CG1 4.14Å; I193-V234 HydrophobicContact CG2-CG2 4.19Å; N195-V234 HydrophobicContact CB-CG1 4.2Å; N195-V234 PolarHBondContact ND2-O 2.9Å; T200-V234 WeakPolarHBondContact CA-O 3.45Å; T200-V234 WeakPolarHBondContact CG2-O 3.33Å; V201-V234 HydrophobicContact CG2-CB 3.99Å; V201-V234 HydrophobicContact CG2-CG2 4.48Å; V201-V234 PolarHBondContact N-O 2.85Å; V201-V234 PolarHBondContact O-N 2.8Å; V234-T238 WeakPolarHBondContact CG1-OG1 3.24Å; V234-Q240 HydrophobicContact CG1-CB 3.99Å; V234-Q240 HydrophobicContact CG2-CB 4.43Å
235T96.2Very high96Very high78 Ų7872.4 Ų72.448%0.47938%0.384SS..  trans-68.9160.7-177.5500000112.5N195 T238N195-T235 PolarHBondContact ND2-O 3.02Å; N195-T235 VanDerWaalsContact ND2-O 3.09Å; T235-T238 PolarHBondContact O-OG1 2.83Å; T235-T238 WeakPolarHBondContact OG1-CG2 3.45Å
236A94.1Very high96Very high35 Ų3569.3 Ų69.329%0.28937%0.368SS..THydrogen-bonded Turntrans-53.5146.2175.200000112.7S197 T198 T238S197-A236 WeakPolarHBondContact O-CA 3.28Å; S197-A236 VanDerWaalsContact O-CB 3.31Å; S197-A236 WeakPolarHBondContact O-CB 3.34Å; T198-A236 VanDerWaalsContact C-CB 3.48Å; A236-T238 VanDerWaalsContact C-N 3.26Å; A236-T238 PolarHBondContact O-N 2.88Å
237S93.6Very high95.9Very high92 Ų9271.1 Ų71.164%0.64338%0.381SS*.THydrogen-bonded Turntrans53.236.2178.2-51.50000114.6N195 S197N195-S237 CarbonylContact O-C 3.49Å; N195-S237 WeakPolarHBondContact O-CA 3.41Å; N195-S237 PolarHBondContact O-N 2.91Å; S197-S237 PolarHBondContact O-N 2.76Å
238T95.8Very high95.8Very high48 Ų4869.8 Ų69.829%0.29437%0.374SS..EExtended strand (participates in β ladder)trans-126.2159.1177.8650000112.5N195 V234 T235 A236N195-T238 PolarHBondContact N-O 3.15Å; N195-T238 PolarHBondContact O-N 3.1Å; N195-T238 VanDerWaalsContact O-N 3.12Å; V234-T238 WeakPolarHBondContact CG1-OG1 3.24Å; T235-T238 PolarHBondContact O-OG1 2.83Å; T235-T238 WeakPolarHBondContact OG1-CG2 3.45Å; A236-T238 VanDerWaalsContact C-N 3.26Å; A236-T238 PolarHBondContact O-N 2.88Å
239R95.2Very high95.7Very high167 Ų16764.4 Ų64.463%0.6335%0.354SS*.EExtended strand (participates in β ladder)trans-115.3133.5168.2-176.5178.3179.9178.11.1108.8E192 I193E192-R239 IonicContact OE2-CZ 2.8Å; E192-R239 IonicContact OE2-NH2 2.91Å; E192-R239 PolarHBondContact OE2-NH2 3.17Å; I193-R239 WeakPolarHBondContact O-CA 3.46Å
240Q95.8Very high95.2Very high59 Ų5966 Ų6628%0.27637%0.369SS..EExtended strand (participates in β ladder)trans-134.1134.2178.3-176.1167.78.500110.6E192 I193 V234 V242E192-Q240 WeakPolarHBondContact CA-O 3.38Å; I193-Q240 PolarHBondContact N-O 2.87Å; I193-Q240 PolarHBondContact O-N 2.79Å; V234-Q240 HydrophobicContact CG1-CB 3.99Å; V234-Q240 HydrophobicContact CG2-CB 4.43Å; Q240-V242 HydrophobicContact CG-CG2 3.68Å; Q240-V242 VanDerWaalsContact NE2-CG2 3.32Å
241T96.4Very high94.7Very high76 Ų7666 Ų6647%0.46638%0.376SS..EExtended strand (participates in β ladder)trans-118120.1171.7-61.70000107.9L190 V191 E192L190-T241 HydrophobicContact CD1-CG2 3.57Å; V191-T241 CarbonylContact O-C 3.58Å; V191-T241 WeakPolarHBondContact O-CA 3.05Å; E192-T241 HydrophobicContact CG-CG2 3.93Å
242V93.8Very high94.4Very high49 Ų4966.2 Ų66.230%0.29737%0.374SS..EExtended strand (participates in β ladder)trans-129.8140.8-176.4167.20000109.7V191 Q240V191-V242 PolarHBondContact N-O 2.9Å; V191-V242 PolarHBondContact O-N 2.84Å; Q240-V242 HydrophobicContact CG-CG2 3.68Å; Q240-V242 VanDerWaalsContact NE2-CG2 3.32Å
243T96.4Very high94.1Very high94 Ų9463.3 Ų63.358%0.57736%0.361SS*.EExtended strand (participates in β ladder)trans-98.9119.1165.9-58.60000109I189I189-T243 CarbonylContact O-C 3.47Å; I189-T243 WeakPolarHBondContact O-CA 3.15Å
244K97Very high93.8Very high47 Ų4761.5 Ų61.520%0.20435%0.349CS..EExtended strand (participates in β ladder)trans-106.8142.6173.2-17567.1177.51770109.2I189 F205 E229I189-K244 HydrophobicContact CB-CB 4.47Å; I189-K244 WeakPolarHBondContact CB-O 2.79Å; I189-K244 PolarHBondContact N-O 2.91Å; I189-K244 PolarHBondContact O-N 2.91Å; F205-K244 HydrophobicContact CD1-CB 4.18Å; F205-K244 HydrophobicContact CD1-CG 3.95Å; F205-K244 HydrophobicContact CD2-CG 4.07Å; F205-K244 HydrophobicContact CE1-CB 3.67Å; F205-K244 HydrophobicContact CE1-CG 3.89Å; F205-K244 HydrophobicContact CE2-CB 4.37Å; F205-K244 HydrophobicContact CE2-CD 4.44Å; F205-K244 HydrophobicContact CE2-CG 4.07Å; F205-K244 HydrophobicContact CG-CG 4.03Å; F205-K244 HydrophobicContact CZ-CB 3.8Å; F205-K244 HydrophobicContact CZ-CG 3.98Å; E229-K244 WeakPolarHBondContact OE2-CE 3.29Å; E229-K244 IonicContact OE2-NZ 2.76Å; E229-K244 PolarHBondContact OE2-NZ 3.03Å
245V97.3Very high93.7Very high69 Ų6962.5 Ų62.542%0.41836%0.356SS..EExtended strand (participates in β ladder)trans-117127.6176.5-177.10000109A186 I187 K188A186-V245 HydrophobicContact CB-CG1 3.72Å; I187-V245 WeakPolarHBondContact O-CA 3.37Å; K188-V245 HydrophobicContact CG-CG2 4.34Å
246L96.4Very high93.5Very high1 Ų159.2 Ų59.21%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-114.9131.9170.1-62.9-176.2000109.4A186 I187 I189 F205 I227 E229 L268A186-L246 CarbonylContact C-O 3.57Å; A186-L246 WeakPolarHBondContact CA-O 3.09Å; I187-L246 PolarHBondContact N-O 2.84Å; I187-L246 PolarHBondContact O-N 2.87Å; I189-L246 HydrophobicContact CD1-CB 4.47Å; I189-L246 HydrophobicContact CD1-CD1 3.78Å; I189-L246 HydrophobicContact CD1-CG 3.76Å; F205-L246 HydrophobicContact CB-CD1 4.15Å; F205-L246 HydrophobicContact CB-CD2 4.37Å; I227-L246 HydrophobicContact CG2-CD2 4.13Å; E229-L246 HydrophobicContact CB-CD2 4.13Å; E229-L246 VanDerWaalsContact CD-CD2 3.48Å; E229-L246 HydrophobicContact CG-CD2 3.97Å; L246-L268 HydrophobicContact CD1-CD1 4.01Å
247T95.4Very high93.4Very high84 Ų8459.7 Ų59.752%0.51533%0.332SS..EExtended strand (participates in β ladder)trans-96.4127.1178.1-550000110.3I227 P249I227-T247 WeakPolarHBondContact CD1-O 3.3Å; T247-P249 WeakPolarHBondContact O-CD 3.49Å
248I95Very high93.1Very high0 Ų057.7 Ų57.70%031%0.314CS..PPolyproline II helixtrans-71.7124.9177.7-65.6161.6000108.8Y181 G184 E185 I187 L207 L252 I288Y181-I248 HydrophobicContact CD1-CD1 4.15Å; Y181-I248 HydrophobicContact CD2-CD1 4.43Å; Y181-I248 HydrophobicContact CG-CD1 3.71Å; G184-I248 WeakPolarHBondContact CA-O 3.27Å; G184-I248 PolarHBondContact N-O 2.99Å; E185-I248 WeakPolarHBondContact O-CB 3.46Å; E185-I248 WeakPolarHBondContact O-CG1 3.33Å; E185-I248 PolarHBondContact O-N 2.95Å; I187-I248 HydrophobicContact CD1-CD1 3.99Å; I187-I248 HydrophobicContact CD1-CG1 3.86Å; I187-I248 HydrophobicContact CG1-CD1 3.81Å; I187-I248 HydrophobicContact CG1-CG1 3.94Å; L207-I248 HydrophobicContact CD2-CG1 4.39Å; I248-L252 HydrophobicContact CG2-CD1 3.86Å; I248-I288 HydrophobicContact CD1-CD1 3.7Å; I248-I288 HydrophobicContact CG1-CD1 4.24Å; I248-I288 HydrophobicContact CG2-CD1 3.94Å
249P93.6Very high93Very high26 Ų2655.4 Ų55.417%0.16930%0.301CS..PPolyproline II helixtrans-59.5134.5176.3-23.831000112I226 I227 T247 Q251 L252I226-P249 HydrophobicContact CG2-CG 4.05Å; I227-P249 HydrophobicContact CD1-CG 4.28Å; T247-P249 WeakPolarHBondContact O-CD 3.49Å; P249-Q251 PolarHBondContact O-N 3.34Å; P249-L252 HydrophobicContact CB-CD1 4.4Å; P249-L252 HydrophobicContact CB-CG 4.15Å; P249-L252 HydrophobicContact CG-CD1 4.16Å; P249-L252 HydrophobicContact CG-CG 4.34Å; P249-L252 WeakPolarHBondContact O-CB 3.26Å; P249-L252 PolarHBondContact O-N 2.85Å; P249-L252 VanDerWaalsContact O-N 3.17Å
250P88Confident92.9Very high98 Ų9850.7 Ų50.764%0.63629%0.293SS*.THydrogen-bonded Turntrans-64.5-25.9-174.524.1-33.8000113.7S183 L252S183-P250 WeakPolarHBondContact CB-O 3.28Å; P250-L252 VanDerWaalsContact C-N 3.3Å; P250-L252 PolarHBondContact O-N 2.88Å
251Q85.8Confident92.9Very high154 Ų15449 Ų4972%0.7229%0.286SS*.THydrogen-bonded Turntrans-84.83.8-179.970.1-84.222.200114.3P249P249-Q251 PolarHBondContact O-N 3.34Å
252L88.8Confident93Very high20 Ų2045.4 Ų45.411%0.10526%0.264CS..PPolyproline II helixtrans-67.4134.9178.9-84.2177.3000111.3S183 L207 I226 I248 P249 P250 Y266S183-L252 PolarHBondContact OG-O 3.45Å; L207-L252 HydrophobicContact CD2-CD1 3.86Å; I226-L252 HydrophobicContact CD1-CD1 3.97Å; I226-L252 HydrophobicContact CD1-CD2 3.53Å; I226-L252 HydrophobicContact CD1-CG 4.43Å; I226-L252 HydrophobicContact CG1-CD2 4.3Å; I226-L252 HydrophobicContact CG2-CD1 4.4Å; I226-L252 HydrophobicContact CG2-CD2 4.24Å; I248-L252 HydrophobicContact CG2-CD1 3.86Å; P249-L252 HydrophobicContact CB-CD1 4.4Å; P249-L252 HydrophobicContact CB-CG 4.15Å; P249-L252 HydrophobicContact CG-CD1 4.16Å; P249-L252 HydrophobicContact CG-CG 4.34Å; P249-L252 WeakPolarHBondContact O-CB 3.26Å; P249-L252 PolarHBondContact O-N 2.85Å; P249-L252 VanDerWaalsContact O-N 3.17Å; P250-L252 VanDerWaalsContact C-N 3.3Å; P250-L252 PolarHBondContact O-N 2.88Å; L252-Y266 HydrophobicContact CD1-CE1 4.47Å; L252-Y266 HydrophobicContact CD2-CE1 4.18Å
253P89.5Confident93.1Very high53 Ų5346.3 Ų46.334%0.34426%0.264SS..PPolyproline II helixtrans-60.4148.6171.7-18.629.1000111.7Y111 L264 Y266Y111-P253 HydrophobicContact CE2-CB 4.47Å; P253-L264 HydrophobicContact CB-CD2 3.77Å; P253-L264 HydrophobicContact CG-CD2 4.41Å; P253-Y266 WeakPolarHBondContact O-CE2 3.29Å; P253-Y266 PolarHBondContact O-OH 3.04Å; P253-Y266 VanDerWaalsContact O-OH 3.07Å
254V90.6Very high93.1Very high41 Ų4141.8 Ų41.825%0.24824%0.236CC..PPolyproline II helixtrans-67150.1172.6-58.80000110.9L256 I288 L290V254-L256 PolarHBondContact O-N 3.01Å; V254-I288 WeakPolarHBondContact CA-O 3.49Å; V254-L290 HydrophobicContact CG1-CB 3.91Å; V254-L290 HydrophobicContact CG1-CD1 3.87Å
255S93.2Very high93Very high22 Ų2241.2 Ų41.215%0.15423%0.234CC..PPolyproline II helixtrans-58.3136.5177-68.30000111.9Y266 V287 I288S255-Y266 WeakPolarHBondContact OG-CD2 3.39Å; S255-V287 WeakPolarHBondContact OG-CA 3.31Å; S255-I288 PolarHBondContact N-O 3.19Å; S255-I288 PolarHBondContact OG-N 3.09Å
256L92.9Very high93Very high8 Ų838 Ų384%0.04222%0.215CC..BIsolated β-bridgetrans-114.898.6-177.9-174.3105000109.2P108 Y111 I118 V254 C259 L262 K263 L264P108-L256 HydrophobicContact CB-CD1 4.04Å; Y111-L256 HydrophobicContact CD1-CD2 4.23Å; I118-L256 HydrophobicContact CD1-CD1 3.68Å; I118-L256 HydrophobicContact CD1-CD2 3.64Å; I118-L256 HydrophobicContact CD1-CG 4.22Å; V254-L256 PolarHBondContact O-N 3.01Å; L256-C259 HydrophobicContact CD2-CB 4.12Å; L256-L262 HydrophobicContact CD2-CB 4.46Å; L256-L262 HydrophobicContact CD2-CD2 4.41Å; L256-L262 HydrophobicContact CD2-CG 3.97Å; L256-L262 WeakPolarHBondContact CD2-O 3.34Å; L256-K263 CarbonylContact O-C 3.5Å; L256-K263 VanDerWaalsContact O-CA 3.23Å; L256-K263 WeakPolarHBondContact O-CA 3.3Å; L256-L264 HydrophobicContact CB-CB 3.68Å; L256-L264 PolarHBondContact N-O 2.8Å; L256-L264 PolarHBondContact O-N 2.84Å
257L90.3Very high93.1Very high45 Ų4540.6 Ų40.624%0.23622%0.224CC..  trans-116.6-13.3-173.3-56.4179.5000113.4M148 I150 E265 V287M148-L257 HydrophobicContact CE-CB 3.58Å; M148-L257 HydrophobicContact CE-CD1 4.05Å; M148-L257 HydrophobicContact CE-CG 4.46Å; M148-L257 HydrophobicContact SD-CB 3.8Å; I150-L257 HydrophobicContact CD1-CD1 3.95Å; I150-L257 HydrophobicContact CG1-CD1 4.44Å; L257-E265 HydrophobicContact CD2-CG 3.78Å; L257-V287 HydrophobicContact CD1-CG2 4.48Å
258D87.9Confident93.2Very high50 Ų5036.7 Ų36.727%0.26720%0.2SC..SBendtrans-91.48.4-174.259.8-17.9000114.1P108 M148P108-D258 WeakPolarHBondContact CA-OD2 3.35Å; P108-D258 VanDerWaalsContact CB-OD1 3.27Å; P108-D258 WeakPolarHBondContact CB-OD1 3.4Å; M148-D258 HydrophobicContact SD-CB 3.97Å
259C92.8Very high93.3Very high1 Ų137.8 Ų37.81%0.00721%0.205CC..  trans-111.6127.8173.21800000111.2Y71 P108 I118 L256 I261 L262Y71-C259 PolarHBondContact OH-SG 2.68Å; P108-C259 HydrophobicContact CB-CB 4.22Å; P108-C259 HydrophobicContact CG-CB 4.13Å; I118-C259 HydrophobicContact CD1-CB 4.04Å; L256-C259 HydrophobicContact CD2-CB 4.12Å; C259-I261 VanDerWaalsContact C-N 3.34Å; C259-I261 PolarHBondContact O-N 3.45Å; C259-L262 WeakPolarHBondContact CB-O 3.17Å; C259-L262 VanDerWaalsContact O-O 3.04Å
260S93.6Very high93.5Very high68 Ų6836.6 Ų36.648%0.47620%0.197SC..SBendtrans-80.7-12.9-173.261.70000114.3K69K69-S260 VanDerWaalsContact CD-OG 3.3Å; K69-S260 WeakPolarHBondContact CD-OG 3.41Å; K69-S260 PolarHBondContact NZ-OG 3.45Å
261I96.9Very high93.9Very high23 Ų2332.4 Ų32.412%0.11817%0.17CC..SBendtrans-116.1-8.5-17965.9169000113.6A50 V52 K69 F213 F214 C259A50-I261 HydrophobicContact CB-CD1 3.8Å; A50-I261 HydrophobicContact CB-CG1 3.95Å; V52-I261 HydrophobicContact CG1-CD1 4.3Å; V52-I261 HydrophobicContact CG1-CG1 4.27Å; V52-I261 WeakPolarHBondContact CG1-O 3.29Å; V52-I261 HydrophobicContact CG2-CD1 4.37Å; K69-I261 HydrophobicContact CB-CD1 3.94Å; K69-I261 HydrophobicContact CB-CG1 4.31Å; F213-I261 WeakPolarHBondContact CA-O 3.36Å; F214-I261 PolarHBondContact N-O 2.65Å; C259-I261 VanDerWaalsContact C-N 3.34Å; C259-I261 PolarHBondContact O-N 3.45Å
262L97.3Very high94.4Very high0 Ų025 Ų250%014%0.135CC..EExtended strand (participates in β ladder)trans-146.1126.5-178.8177.259.1000108V52 Y111 I118 S212 F213 L256 C259V52-L262 HydrophobicContact CG1-CB 4.06Å; Y111-L262 HydrophobicContact CD1-CD2 3.7Å; Y111-L262 HydrophobicContact CD1-CG 4.29Å; Y111-L262 HydrophobicContact CE1-CD1 4.47Å; Y111-L262 HydrophobicContact CE1-CD2 4.17Å; Y111-L262 HydrophobicContact CE1-CG 4.45Å; I118-L262 HydrophobicContact CD1-CD2 4.27Å; I118-L262 HydrophobicContact CG1-CD2 4.17Å; S212-L262 CarbonylContact O-C 3.6Å; S212-L262 VanDerWaalsContact O-CA 3.27Å; S212-L262 WeakPolarHBondContact O-CA 3.27Å; F213-L262 HydrophobicContact CD1-CD1 3.37Å; F213-L262 HydrophobicContact CE1-CD1 3.2Å; F213-L262 HydrophobicContact CG-CD1 4.26Å; F213-L262 HydrophobicContact CZ-CD1 4.02Å; L256-L262 HydrophobicContact CD2-CB 4.46Å; L256-L262 HydrophobicContact CD2-CD2 4.41Å; L256-L262 HydrophobicContact CD2-CG 3.97Å; L256-L262 WeakPolarHBondContact CD2-O 3.34Å; C259-L262 WeakPolarHBondContact CB-O 3.17Å; C259-L262 VanDerWaalsContact O-O 3.04Å
263K96.5Very high94.6Very high68 Ų6826.6 Ų26.630%0.29614%0.144SC..EExtended strand (participates in β ladder)trans-129.2146.2173.6-60.7-177177.3-171.30110.5Q211 S212 F214 L256 E265Q211-K263 CarbonylContact C-O 3.58Å; Q211-K263 WeakPolarHBondContact CA-O 2.89Å; S212-K263 PolarHBondContact N-O 2.91Å; S212-K263 PolarHBondContact O-N 2.77Å; F214-K263 HydrophobicContact CE2-CD 4.14Å; F214-K263 HydrophobicContact CE2-CG 4.09Å; F214-K263 HydrophobicContact CZ-CD 4.39Å; L256-K263 CarbonylContact O-C 3.5Å; L256-K263 VanDerWaalsContact O-CA 3.23Å; L256-K263 WeakPolarHBondContact O-CA 3.3Å; K263-E265 HydrophobicContact CB-CG 4.37Å
264L96.4Very high94.7Very high0 Ų024.3 Ų24.30%013%0.129CC..EExtended strand (participates in β ladder)trans-120111.5169.317764.9000107.7Y111 E209 Q211 P253 L256 Y266Y111-L264 HydrophobicContact CD2-CD2 4.39Å; Y111-L264 HydrophobicContact CE2-CD2 3.65Å; E209-L264 HydrophobicContact CG-CD1 3.38Å; Q211-L264 HydrophobicContact CG-CD1 3.92Å; P253-L264 HydrophobicContact CB-CD2 3.77Å; P253-L264 HydrophobicContact CG-CD2 4.41Å; L256-L264 HydrophobicContact CB-CB 3.68Å; L256-L264 PolarHBondContact N-O 2.8Å; L256-L264 PolarHBondContact O-N 2.84Å; L264-Y266 HydrophobicContact CD2-CE2 4.28Å; L264-Y266 WeakPolarHBondContact CD2-OH 3.13Å; L264-Y266 HydrophobicContact CG-CE2 4.09Å
265E95.6Very high94.6Very high35 Ų3525 Ų2516%0.16413%0.134CC..EExtended strand (participates in β ladder)trans-121.6149.6-176.3-63.1173.991.900109.1E210 R219 L257 K263 R267E210-E265 PolarHBondContact N-O 3.37Å; E210-E265 PolarHBondContact O-N 2.86Å; R219-E265 IonicContact NH2-OE2 3.73Å; L257-E265 HydrophobicContact CD2-CG 3.78Å; K263-E265 HydrophobicContact CB-CG 4.37Å; E265-R267 IonicContact OE1-NH2 2.7Å
266Y97Very high94.1Very high1 Ų130.1 Ų30.10%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-115.2149.4173.8-65-80.2000110.2C208 E209 I226 L252 P253 S255 L264 L286 I288C208-Y266 CarbonylContact O-C 3.56Å; C208-Y266 VanDerWaalsContact O-CA 3.28Å; C208-Y266 WeakPolarHBondContact O-CA 3.14Å; E209-Y266 HydrophobicContact CB-CD1 4.2Å; E209-Y266 HydrophobicContact CB-CE1 3.86Å; E209-Y266 HydrophobicContact CG-CD1 4.41Å; E209-Y266 HydrophobicContact CG-CE1 3.78Å; E209-Y266 PolarHBondContact OE2-OH 2.87Å; I226-Y266 HydrophobicContact CD1-CD1 3.85Å; I226-Y266 HydrophobicContact CD1-CE1 3.56Å; L252-Y266 HydrophobicContact CD1-CE1 4.47Å; L252-Y266 HydrophobicContact CD2-CE1 4.18Å; P253-Y266 WeakPolarHBondContact O-CE2 3.29Å; P253-Y266 PolarHBondContact O-OH 3.04Å; P253-Y266 VanDerWaalsContact O-OH 3.07Å; S255-Y266 WeakPolarHBondContact OG-CD2 3.39Å; L264-Y266 HydrophobicContact CD2-CE2 4.28Å; L264-Y266 WeakPolarHBondContact CD2-OH 3.13Å; L264-Y266 HydrophobicContact CG-CE2 4.09Å; Y266-L286 PolarHBondContact O-N 3.26Å; Y266-I288 HydrophobicContact CD2-CB 3.97Å; Y266-I288 HydrophobicContact CD2-CG1 3.3Å; Y266-I288 HydrophobicContact CE2-CB 3.99Å; Y266-I288 HydrophobicContact CE2-CG1 3.66Å; Y266-I288 HydrophobicContact CG-CG1 3.78Å
267R97.6Very high93.7Very high56 Ų5631.6 Ų31.621%0.21118%0.178CC..EExtended strand (participates in β ladder)trans-134.5134.1178.9-60-72.7173.3175.1-8.9109.6C208 E210 E265 L284 P285C208-R267 HydrophobicContact CB-CB 4.26Å; C208-R267 PolarHBondContact N-O 3.28Å; C208-R267 PolarHBondContact O-N 3.19Å; E210-R267 HydrophobicContact CG-CG 4.34Å; E210-R267 IonicContact OE2-NE 2.78Å; E265-R267 IonicContact OE1-NH2 2.7Å; R267-L284 CarbonylContact C-O 3.57Å; R267-L284 WeakPolarHBondContact CA-O 3.38Å; R267-P285 VanDerWaalsContact NH1-CB 3.31Å
268L98.2Very high93.5Very high2 Ų238.4 Ų38.41%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-78.8119.6155.7173.662.8000106.9I174 I176 I189 L246 V270 K283 L284 L286I174-L268 HydrophobicContact CG2-CD2 4.41Å; I176-L268 HydrophobicContact CG2-CD2 3.59Å; I189-L268 HydrophobicContact CB-CD2 4.49Å; I189-L268 HydrophobicContact CD1-CD1 3.52Å; I189-L268 HydrophobicContact CD1-CD2 3.92Å; I189-L268 HydrophobicContact CD1-CG 4.39Å; I189-L268 HydrophobicContact CG1-CD1 4.31Å; I189-L268 HydrophobicContact CG1-CD2 3.78Å; I189-L268 HydrophobicContact CG2-CD2 3.92Å; L246-L268 HydrophobicContact CD1-CD1 4.01Å; L268-V270 HydrophobicContact CD1-CG2 4.27Å; L268-V270 HydrophobicContact CG-CG2 4.32Å; L268-K283 CarbonylContact O-C 3.5Å; L268-K283 VanDerWaalsContact O-CA 3.27Å; L268-K283 WeakPolarHBondContact O-CA 3.48Å; L268-L284 HydrophobicContact CB-CB 4.44Å; L268-L284 PolarHBondContact N-O 2.68Å; L268-L284 PolarHBondContact O-N 3.18Å; L268-L286 HydrophobicContact CB-CD1 3.99Å; L268-L286 HydrophobicContact CB-CD2 4.38Å; L268-L286 HydrophobicContact CB-CG 4.23Å
269K97.8Very high93.6Very high23 Ų2339.1 Ų39.110%0.121%0.21CC..EExtended strand (participates in β ladder)trans-116.1130.7175173.2-172.176.4-1700108Y206 C208 D225 T271 E281 V282 K283Y206-K269 HydrophobicContact CD2-CD 4.4Å; Y206-K269 HydrophobicContact CD2-CG 4.27Å; Y206-K269 WeakPolarHBondContact CD2-O 3.48Å; Y206-K269 PolarHBondContact N-O 3.37Å; Y206-K269 PolarHBondContact O-N 2.82Å; C208-K269 VanDerWaalsContact SG-CE 3.56Å; D225-K269 VanDerWaalsContact CG-NZ 3.3Å; D225-K269 IonicContact OD1-NZ 3.89Å; D225-K269 PolarHBondContact OD1-NZ 2.84Å; D225-K269 IonicContact OD2-NZ 3.99Å; D225-K269 PolarHBondContact OD2-NZ 2.84Å; K269-T271 HydrophobicContact CD-CG2 4.49Å; K269-T271 HydrophobicContact CG-CG2 4.26Å; K269-E281 HydrophobicContact CD-CG 4.27Å; K269-E281 WeakPolarHBondContact CD-OE2 3.33Å; K269-E281 HydrophobicContact CG-CG 3.75Å; K269-V282 WeakPolarHBondContact CA-O 3.36Å; K269-K283 HydrophobicContact CB-CG 4.16Å; K269-K283 HydrophobicContact CG-CG 4.17Å
270V97.7Very high93.5Very high0 Ų039.5 Ų39.50%021%0.212CC..EExtended strand (participates in β ladder)trans-126.1130.3171.9-179.50000108.4L172 I174 N204 F205 L268 E281 V282L172-V270 HydrophobicContact CD1-CG1 4.47Å; L172-V270 HydrophobicContact CD2-CG1 4.41Å; I174-V270 HydrophobicContact CD1-CB 3.32Å; I174-V270 HydrophobicContact CD1-CG1 3.83Å; I174-V270 HydrophobicContact CD1-CG2 3.58Å; N204-V270 CarbonylContact O-C 3.56Å; N204-V270 VanDerWaalsContact O-CA 3.24Å; N204-V270 WeakPolarHBondContact O-CA 3.49Å; F205-V270 HydrophobicContact CD1-CG1 4.26Å; F205-V270 HydrophobicContact CD1-CG2 3.71Å; F205-V270 HydrophobicContact CE1-CG1 4.27Å; F205-V270 HydrophobicContact CE1-CG2 4.19Å; F205-V270 HydrophobicContact CG-CG2 4.49Å; L268-V270 HydrophobicContact CD1-CG2 4.27Å; L268-V270 HydrophobicContact CG-CG2 4.32Å; V270-E281 WeakPolarHBondContact O-CA 3.33Å; V270-V282 PolarHBondContact N-O 3.09Å; V270-V282 PolarHBondContact O-N 3.01Å
271T96.7Very high93.5Very high10 Ų1040.4 Ų40.46%0.06121%0.209CC..EExtended strand (participates in β ladder)trans-119152.3176.571.50000110.6P203 N204 Y206 K269 P280 E281P203-T271 CarbonylContact C-O 3.56Å; P203-T271 VanDerWaalsContact CA-O 3.3Å; P203-T271 WeakPolarHBondContact CA-O 3.5Å; N204-T271 PolarHBondContact N-O 3.41Å; N204-T271 PolarHBondContact O-N 3.49Å; Y206-T271 HydrophobicContact CE2-CG2 4.09Å; K269-T271 HydrophobicContact CD-CG2 4.49Å; K269-T271 HydrophobicContact CG-CG2 4.26Å; T271-P280 WeakPolarHBondContact CA-O 3.39Å; T271-P280 WeakPolarHBondContact CB-O 3.49Å; T271-E281 HydrophobicContact CG2-CB 4.12Å; T271-E281 HydrophobicContact CG2-CG 3.99Å
272L94.7Very high93.5Very high0 Ų039.9 Ų39.90%021%0.207CC..EExtended strand (participates in β ladder)trans-104121.1165.9-63.8173.3000108.8I170 L172 I193 P203 V274 D279 P280I170-L272 HydrophobicContact CG2-CD1 3.78Å; L172-L272 HydrophobicContact CB-CD1 3.89Å; L172-L272 HydrophobicContact CD1-CD1 4.35Å; L172-L272 HydrophobicContact CD1-CD2 4.26Å; L172-L272 HydrophobicContact CD1-CG 4.31Å; L172-L272 HydrophobicContact CD2-CD1 4.37Å; L172-L272 HydrophobicContact CD2-CG 4.13Å; L172-L272 HydrophobicContact CG-CD1 4.43Å; I193-L272 HydrophobicContact CD1-CD2 3.62Å; I193-L272 HydrophobicContact CG1-CD2 4.18Å; P203-L272 HydrophobicContact CB-CD2 3.85Å; L272-V274 HydrophobicContact CB-CG2 4.13Å; L272-V274 PolarHBondContact O-N 3.14Å; L272-D279 VanDerWaalsContact O-CA 3.29Å; L272-D279 WeakPolarHBondContact O-CA 3.46Å; L272-D279 WeakPolarHBondContact O-CB 3.36Å; L272-D279 VanDerWaalsContact O-OD1 3.14Å; L272-P280 HydrophobicContact CB-CG 3.65Å; L272-P280 HydrophobicContact CD1-CG 4.05Å; L272-P280 HydrophobicContact CG-CG 4.1Å; L272-P280 PolarHBondContact N-O 3.5Å; L272-P280 WeakPolarHBondContact O-CD 3.03Å
273D94.6Very high93.5Very high53 Ų5343.8 Ų43.828%0.28322%0.223SC..EExtended strand (participates in β ladder)trans-69.3106.4167.9178.411.2000108V201 T202 R230 D279V201-D273 WeakPolarHBondContact CA-O 3.26Å; T202-D273 PolarHBondContact N-O 3.42Å; T202-D273 WeakPolarHBondContact O-CB 3.23Å; T202-D273 PolarHBondContact O-N 3.4Å; R230-D273 IonicContact NH2-OD2 2.67Å; R230-D273 PolarHBondContact NH2-OD2 2.97Å; R230-D273 VanDerWaalsContact NH2-OD2 3.09Å; D273-D279 WeakPolarHBondContact CA-OD1 3.39Å
274V90.4Very high93.5Very high4 Ų441 Ų412%0.02421%0.212CC..  trans-112114.5-180-173.10000108.9F165 I170 V201 L272 T276 A277 D279F165-V274 HydrophobicContact CZ-CG1 3.98Å; I170-V274 HydrophobicContact CD1-CG1 4.41Å; I170-V274 HydrophobicContact CD1-CG2 4.47Å; V201-V274 HydrophobicContact CG1-CB 4.4Å; V201-V274 HydrophobicContact CG1-CG1 4.27Å; V201-V274 HydrophobicContact CG1-CG2 3.88Å; L272-V274 HydrophobicContact CB-CG2 4.13Å; L272-V274 PolarHBondContact O-N 3.14Å; V274-T276 PolarHBondContact O-N 2.89Å; V274-A277 HydrophobicContact CB-CB 4.05Å; V274-A277 HydrophobicContact CG1-CB 3.75Å; V274-A277 PolarHBondContact O-N 3.47Å; V274-A277 VanDerWaalsContact O-N 3.12Å; V274-D279 PolarHBondContact N-OD1 2.81Å; V274-D279 VanDerWaalsContact N-OD1 3.12Å
275P87.9Confident93.6Very high56 Ų5642.6 Ų42.636%0.36422%0.222SC..THydrogen-bonded Turntrans-53.1129.8-179.3-28.434.8000111.7R199 T200 A277R199-P275 PolarHBondContact NH1-O 2.83Å; T200-P275 WeakPolarHBondContact O-CD 3.26Å; P275-A277 PolarHBondContact O-N 3.28Å; P275-A277 VanDerWaalsContact O-N 3.15Å
276T84.4Confident93.6Very high130 Ų13041.2 Ų41.280%0.79822%0.216SC*.THydrogen-bonded Turntrans55.723178.388.50000115.7R199 V274R199-T276 PolarHBondContact NH1-OG1 2.8Å; V274-T276 PolarHBondContact O-N 2.89Å
277A84.4Confident93.4Very high39 Ų3941.3 Ų41.332%0.32222%0.217SC..SBendtrans-130171.617300000110F165 V274 P275F165-A277 HydrophobicContact CE1-CB 3.66Å; F165-A277 HydrophobicContact CZ-CB 4.13Å; V274-A277 HydrophobicContact CB-CB 4.05Å; V274-A277 HydrophobicContact CG1-CB 3.75Å; V274-A277 PolarHBondContact O-N 3.47Å; V274-A277 VanDerWaalsContact O-N 3.12Å; P275-A277 PolarHBondContact O-N 3.28Å; P275-A277 VanDerWaalsContact O-N 3.15Å
278K85.5Confident93.2Very high188 Ų18838.8 Ų38.882%0.81721%0.207SC*.PPolyproline II helixtrans-79126.9170.7-175.5178.9178.7-179.80108.8
279D89Confident92.7Very high65 Ų6541.3 Ų41.335%0.34822%0.22SC..PPolyproline II helixtrans-58.8123.6176.1-67.1-0.7000110.6L272 D273 V274L272-D279 VanDerWaalsContact O-CA 3.29Å; L272-D279 WeakPolarHBondContact O-CA 3.46Å; L272-D279 WeakPolarHBondContact O-CB 3.36Å; L272-D279 VanDerWaalsContact O-OD1 3.14Å; D273-D279 WeakPolarHBondContact CA-OD1 3.39Å; V274-D279 PolarHBondContact N-OD1 2.81Å; V274-D279 VanDerWaalsContact N-OD1 3.12Å
280P90.4Very high91.8Very high9 Ų943.5 Ų43.56%0.05823%0.233CC..PPolyproline II helixtrans-67.6155.6167.833.7-40.5000110.8K161 L163 T271 L272K161-P280 HydrophobicContact CG-CB 4.08Å; L163-P280 HydrophobicContact CD1-CB 3.19Å; L163-P280 HydrophobicContact CD1-CG 3.57Å; L163-P280 HydrophobicContact CD2-CB 3.87Å; L163-P280 HydrophobicContact CD2-CG 3.99Å; L163-P280 HydrophobicContact CG-CB 4.08Å; L163-P280 HydrophobicContact CG-CG 4.42Å; T271-P280 WeakPolarHBondContact CA-O 3.39Å; T271-P280 WeakPolarHBondContact CB-O 3.49Å; L272-P280 HydrophobicContact CB-CG 3.65Å; L272-P280 HydrophobicContact CD1-CG 4.05Å; L272-P280 HydrophobicContact CG-CG 4.1Å; L272-P280 PolarHBondContact N-O 3.5Å; L272-P280 WeakPolarHBondContact O-CD 3.03Å
281E94.4Very high90.3Very high87 Ų8746.4 Ų46.441%0.40725%0.248SC..EExtended strand (participates in β ladder)trans-139.9137.5-178.4-176.5-176.1106.100109.7K269 V270 T271 K283K269-E281 HydrophobicContact CD-CG 4.27Å; K269-E281 WeakPolarHBondContact CD-OE2 3.33Å; K269-E281 HydrophobicContact CG-CG 3.75Å; V270-E281 WeakPolarHBondContact O-CA 3.33Å; T271-E281 HydrophobicContact CG2-CB 4.12Å; T271-E281 HydrophobicContact CG2-CG 3.99Å; E281-K283 HydrophobicContact CG-CG 4.16Å; E281-K283 WeakPolarHBondContact OE1-CD 3.39Å; E281-K283 WeakPolarHBondContact OE1-CE 3.36Å; E281-K283 VanDerWaalsContact OE1-CG 3.31Å; E281-K283 WeakPolarHBondContact OE1-CG 3.4Å; E281-K283 IonicContact OE1-NZ 2.68Å
282V97.2Very high88.4Confident12 Ų1252.9 Ų52.97%0.07328%0.276CS..EExtended strand (participates in β ladder)trans-120.7131.2165.6172.90000107.4K161 L172 I174 K269 V270 L284K161-V282 HydrophobicContact CB-CG2 3.8Å; L172-V282 HydrophobicContact CD2-CB 4.42Å; L172-V282 HydrophobicContact CD2-CG2 3.94Å; L172-V282 HydrophobicContact CG-CG2 4.39Å; I174-V282 HydrophobicContact CB-CG1 4.48Å; I174-V282 HydrophobicContact CD1-CB 3.61Å; I174-V282 HydrophobicContact CD1-CG1 3.75Å; I174-V282 HydrophobicContact CD1-CG2 4.28Å; I174-V282 HydrophobicContact CG1-CB 4.43Å; I174-V282 HydrophobicContact CG1-CG1 4.31Å; K269-V282 WeakPolarHBondContact CA-O 3.36Å; V270-V282 PolarHBondContact N-O 3.09Å; V270-V282 PolarHBondContact O-N 3.01Å; V282-L284 HydrophobicContact CG1-CD2 4.44Å
283K97.1Very high86.3Confident81 Ų8155.7 Ų55.735%0.35230%0.296SS..EExtended strand (participates in β ladder)trans-118.8127.2174.6-65.1-166.7-175.8-171.90110.6E210 L268 K269 E281E210-K283 IonicContact OE1-NZ 2.91Å; E210-K283 PolarHBondContact OE1-NZ 2.8Å; L268-K283 CarbonylContact O-C 3.5Å; L268-K283 VanDerWaalsContact O-CA 3.27Å; L268-K283 WeakPolarHBondContact O-CA 3.48Å; K269-K283 HydrophobicContact CB-CG 4.16Å; K269-K283 HydrophobicContact CG-CG 4.17Å; E281-K283 HydrophobicContact CG-CG 4.16Å; E281-K283 WeakPolarHBondContact OE1-CD 3.39Å; E281-K283 WeakPolarHBondContact OE1-CE 3.36Å; E281-K283 VanDerWaalsContact OE1-CG 3.31Å; E281-K283 WeakPolarHBondContact OE1-CG 3.4Å; E281-K283 IonicContact OE1-NZ 2.68Å
284L97.6Very high84.2Confident10 Ų1056.7 Ų56.75%0.05230%0.3CS..EExtended strand (participates in β ladder)trans-111.6132.6171.6-58.6-179.6000110Q157 I174 I176 R267 L268 V282Q157-L284 HydrophobicContact CB-CD1 4.17Å; Q157-L284 HydrophobicContact CB-CD2 4.43Å; I174-L284 HydrophobicContact CG2-CD1 4.08Å; I176-L284 HydrophobicContact CD1-CB 4.12Å; I176-L284 HydrophobicContact CD1-CD1 3.99Å; I176-L284 HydrophobicContact CG1-CD1 3.93Å; R267-L284 CarbonylContact C-O 3.57Å; R267-L284 WeakPolarHBondContact CA-O 3.38Å; L268-L284 HydrophobicContact CB-CB 4.44Å; L268-L284 PolarHBondContact N-O 2.68Å; L268-L284 PolarHBondContact O-N 3.18Å; V282-L284 HydrophobicContact CG1-CD2 4.44Å
285P96.6Very high82Confident34 Ų3457.7 Ų57.722%0.22131%0.309CS..EExtended strand (participates in β ladder)trans-60.2143.5172.721.9-28.9000112.8Q157 M179 R267Q157-P285 PolarHBondContact NE2-O 2.87Å; Q157-P285 VanDerWaalsContact OE1-CG 3.22Å; Q157-P285 PolarHBondContact OE1-O 3.4Å; M179-P285 HydrophobicContact CE-CB 3.73Å; M179-P285 HydrophobicContact CE-CG 4.23Å; M179-P285 HydrophobicContact SD-CB 4.45Å; M179-P285 HydrophobicContact SD-CG 4.43Å; R267-P285 VanDerWaalsContact NH1-CB 3.31Å
286L95.6Very high79.7Confident5 Ų557 Ų573%0.02631%0.307CS..EExtended strand (participates in β ladder)trans-128.2148.6169.9-58.8174.7000109.5I176 M179 Y181 I187 L207 Y266 L268I176-L286 HydrophobicContact CD1-CD2 3.79Å; M179-L286 CarbonylContact O-C 3.59Å; M179-L286 WeakPolarHBondContact O-CA 3.16Å; Y181-L286 HydrophobicContact CD2-CD2 4.08Å; Y181-L286 HydrophobicContact CE2-CD2 3.63Å; I187-L286 HydrophobicContact CD1-CD1 3.63Å; I187-L286 HydrophobicContact CD1-CD2 4.49Å; L207-L286 HydrophobicContact CD1-CD1 3.47Å; L207-L286 VanDerWaalsContact CD1-CD1 3.47Å; Y266-L286 PolarHBondContact O-N 3.26Å; L268-L286 HydrophobicContact CB-CD1 3.99Å; L268-L286 HydrophobicContact CB-CD2 4.38Å; L268-L286 HydrophobicContact CB-CG 4.23Å
287V93.8Very high77.7Confident4 Ų456.8 Ų56.82%0.02430%0.298CS..EExtended strand (participates in β ladder)trans-122.2120.1172.5179.50000108.3I150 L153 M179 G180 Y181 S255 L257 L289I150-V287 HydrophobicContact CD1-CB 4.38Å; I150-V287 HydrophobicContact CD1-CG1 3.54Å; I150-V287 HydrophobicContact CD1-CG2 4.09Å; I150-V287 HydrophobicContact CG2-CG2 4.31Å; L153-V287 HydrophobicContact CD1-CB 3.76Å; L153-V287 HydrophobicContact CD1-CG1 4.08Å; L153-V287 HydrophobicContact CD1-CG2 4.02Å; M179-V287 HydrophobicContact CE-CG2 3.39Å; M179-V287 HydrophobicContact CG-CG2 4.06Å; M179-V287 PolarHBondContact O-N 3.12Å; M179-V287 HydrophobicContact SD-CG2 4.29Å; G180-V287 WeakPolarHBondContact CA-O 3.42Å; Y181-V287 PolarHBondContact N-O 3.07Å; S255-V287 WeakPolarHBondContact OG-CA 3.31Å; L257-V287 HydrophobicContact CD1-CG2 4.48Å; V287-L289 HydrophobicContact CG1-CD2 3.66Å; V287-L289 HydrophobicContact CG1-CG 4.25Å
288I92.9Very high75.9Confident2 Ų257.7 Ų57.71%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-91.8121173.9-54-57000108.1Y181 S183 I248 V254 S255 Y266Y181-I288 CarbonylContact O-C 3.55Å; Y181-I288 WeakPolarHBondContact O-CA 3.36Å; S183-I288 WeakPolarHBondContact OG-CG2 3.39Å; I248-I288 HydrophobicContact CD1-CD1 3.7Å; I248-I288 HydrophobicContact CG1-CD1 4.24Å; I248-I288 HydrophobicContact CG2-CD1 3.94Å; V254-I288 WeakPolarHBondContact CA-O 3.49Å; S255-I288 PolarHBondContact N-O 3.19Å; S255-I288 PolarHBondContact OG-N 3.09Å; Y266-I288 HydrophobicContact CD2-CB 3.97Å; Y266-I288 HydrophobicContact CD2-CG1 3.3Å; Y266-I288 HydrophobicContact CE2-CB 3.99Å; Y266-I288 HydrophobicContact CE2-CG1 3.66Å; Y266-I288 HydrophobicContact CG-CG1 3.78Å
289L87.9Confident73.9Confident55 Ų5557.1 Ų57.129%0.28829%0.288SS..EExtended strand (participates in β ladder)trans-103.7151.7-174.6-61172.9000110.2L153 Y181 L182 V287L153-L289 HydrophobicContact CD2-CD1 4.13Å; L153-L289 HydrophobicContact CD2-CD2 4.44Å; Y181-L289 PolarHBondContact O-N 2.82Å; L182-L289 HydrophobicContact CD2-CB 3.87Å; V287-L289 HydrophobicContact CG1-CD2 3.66Å; V287-L289 HydrophobicContact CG1-CG 4.25Å
290L78.4Confident71.5Confident69 Ų6961.1 Ų61.136%0.36130%0.304SS..PPolyproline II helixtrans-67.9134.1170.7-166.171.1000109.3L143 L182 V254 K292L143-L290 HydrophobicContact CD2-CD2 4.1Å; L182-L290 WeakPolarHBondContact CD2-O 3.41Å; V254-L290 HydrophobicContact CG1-CB 3.91Å; V254-L290 HydrophobicContact CG1-CD1 3.87Å; L290-K292 PolarHBondContact O-N 2.99Å
291D67.8Low69.1Low61 Ų6165.5 Ų65.533%0.32632%0.324SS..PPolyproline II helixtrans-60.9124.9171.2-171.8-6.2000109.8S293 I294D291-S293 VanDerWaalsContact C-N 3.26Å; D291-S293 PolarHBondContact O-N 2.76Å; D291-S293 PolarHBondContact OD1-N 3.22Å; D291-S293 PolarHBondContact OD1-OG 2.81Å; D291-S293 PolarHBondContact OD2-OG 3.22Å; D291-I294 HydrophobicContact CB-CD1 4.37Å
292K55.6Low66.5Low146 Ų14668.1 Ų68.164%0.63534%0.336SS*.THydrogen-bonded Turntrans-75.7-13.8-178.4-69.3-177178.9179.60112.8L290 A295 A296L290-K292 PolarHBondContact O-N 2.99Å; K292-A295 CarbonylContact O-C 3.56Å; K292-A295 PolarHBondContact O-N 3.46Å; K292-A296 WeakPolarHBondContact O-CB 3.32Å; K292-A296 PolarHBondContact O-N 3.34Å
293S50.3Low63.6Low60 Ų6076 Ų7642%0.4237%0.366SS..THydrogen-bonded Turntrans-63-44.3173.764.90000111D291 A295 A296 E297D291-S293 VanDerWaalsContact C-N 3.26Å; D291-S293 PolarHBondContact O-N 2.76Å; D291-S293 PolarHBondContact OD1-N 3.22Å; D291-S293 PolarHBondContact OD1-OG 2.81Å; D291-S293 PolarHBondContact OD2-OG 3.22Å; S293-A295 VanDerWaalsContact C-N 3.3Å; S293-A295 PolarHBondContact O-N 3.18Å; S293-A296 PolarHBondContact O-N 2.86Å; S293-A296 VanDerWaalsContact O-N 3.1Å; S293-E297 PolarHBondContact O-N 2.9Å; S293-E297 VanDerWaalsContact O-N 3.1Å
294I50.3Low60.7Low74 Ų7476.5 Ų76.538%0.37938%0.38SS..Hα-helixtrans-61.3-38.5172.3-56.8173.8000110.7D291 A296 E298D291-I294 HydrophobicContact CB-CD1 4.37Å; I294-A296 VanDerWaalsContact C-N 3.34Å; I294-A296 PolarHBondContact O-N 2.64Å; I294-E298 WeakPolarHBondContact O-CG 3.36Å
295A45.1Very low57.9Low25 Ų2586.9 Ų86.921%0.20742%0.418CS..Hα-helixtrans-80.1-9177.100000114.8K292 S293K292-A295 CarbonylContact O-C 3.56Å; K292-A295 PolarHBondContact O-N 3.46Å; S293-A295 VanDerWaalsContact C-N 3.3Å; S293-A295 PolarHBondContact O-N 3.18Å
296A38.8Very low55.4Low40 Ų4089.6 Ų89.633%0.33144%0.438SS..Hα-helixtrans-98.3-33.9-179.600000111.9K292 S293 I294 E298 R299 Q300K292-A296 WeakPolarHBondContact O-CB 3.32Å; K292-A296 PolarHBondContact O-N 3.34Å; S293-A296 PolarHBondContact O-N 2.86Å; S293-A296 VanDerWaalsContact O-N 3.1Å; I294-A296 VanDerWaalsContact C-N 3.34Å; I294-A296 PolarHBondContact O-N 2.64Å; A296-E298 PolarHBondContact O-N 3.12Å; A296-R299 PolarHBondContact O-N 3.16Å; A296-R299 VanDerWaalsContact O-N 3.12Å; A296-Q300 PolarHBondContact O-N 3.13Å
297E42.3Very low52.5Low127 Ų127100.9 Ų100.959%0.59349%0.487SS*.Hα-helixtrans-57.6-38.1168-74.6177.8160.100111.1S293 R299 Q300 Q301S293-E297 PolarHBondContact O-N 2.9Å; S293-E297 VanDerWaalsContact O-N 3.1Å; E297-R299 VanDerWaalsContact C-N 3.3Å; E297-R299 PolarHBondContact O-N 3.3Å; E297-Q300 PolarHBondContact O-N 3.15Å; E297-Q301 PolarHBondContact O-N 3.12Å; E297-Q301 VanDerWaalsContact O-N 3.12Å
298E48.1Very low50.5Low57 Ų57105.7 Ų105.727%0.26651%0.51SS..Hα-helixtrans-59.3-35.1174.4-69.6179158.200113.4I294 A296I294-E298 WeakPolarHBondContact O-CG 3.36Å; A296-E298 PolarHBondContact O-N 3.12Å
299R43.8Very low48.3Very low177 Ų177111.2 Ų111.267%0.66854%0.536SS*.Hα-helixtrans-82.3-27.3179.5-91.2-173.8-85.6166.2-7.5113.7A296 E297A296-R299 PolarHBondContact O-N 3.16Å; A296-R299 VanDerWaalsContact O-N 3.12Å; E297-R299 VanDerWaalsContact C-N 3.3Å; E297-R299 PolarHBondContact O-N 3.3Å
300Q37.1Very low46.1Very low149 Ų149114.3 Ų114.370%0.69655%0.55SS*.Hα-helixtrans-81.4-32.4179.2-75.6179.9-17.200112.2A296 E297 S304A296-Q300 PolarHBondContact O-N 3.13Å; E297-Q300 PolarHBondContact O-N 3.15Å; Q300-S304 PolarHBondContact O-N 2.83Å
301Q40.2Very low44.2Very low100 Ų100116.9 Ų116.947%0.46756%0.561SS.*Hα-helixtrans-65.9-45.9172.1-82.3-178.6-11.300111.7E15 E297 Y303 S304 W305E15-Q301 PolarHBondContact OE1-NE2 3.22Å; E297-Q301 PolarHBondContact O-N 3.12Å; E297-Q301 VanDerWaalsContact O-N 3.12Å; Q301-Y303 PolarHBondContact O-N 2.68Å; Q301-Y303 VanDerWaalsContact O-N 3.16Å; Q301-S304 PolarHBondContact O-N 3.24Å; Q301-W305 VanDerWaalsContact O-CD1 3.23Å; Q301-W305 PolarHBondContact O-N 2.7Å
302E41.3Very low42.7Very low142 Ų142120.4 Ų120.466%0.66458%0.576SS**Hα-helixtrans-56.2-33.6177.4-97.2178.9163.500114S306E302-S306 PolarHBondContact O-OG 3.17Å
303Y35.7Very low41.8Very low178 Ų178118.7 Ų118.770%0.69857%0.572SS**Hα-helixtrans-79.2-21.2179.3-121.6-91.5000114.1Q301Q301-Y303 PolarHBondContact O-N 2.68Å; Q301-Y303 VanDerWaalsContact O-N 3.16Å
304S36.3Very low41.2Very low91 Ų91122.9 Ų122.964%0.63658%0.582SS**Hα-helixtrans-80.8-28.6-179.3-170.40000112.5Q300 Q301Q300-S304 PolarHBondContact O-N 2.83Å; Q301-S304 PolarHBondContact O-N 3.24Å
305W37.9Very low40.5Very low229 Ų229126.7 Ų126.787%0.86760%0.598SS**THydrogen-bonded Turntrans-90.5-4.3179.8-68.692.7000114.5Q301Q301-W305 VanDerWaalsContact O-CD1 3.23Å; Q301-W305 PolarHBondContact O-N 2.7Å
306S43.4Very low40.1Very low90 Ų90135.2 Ų135.263%0.62963%0.631SS**THydrogen-bonded Turntrans-105.715.2179.739.30000113.2E302E302-S306 PolarHBondContact O-OG 3.17Å
307K36.7Very low40.2Very low242 Ų242143.8 Ų143.8100%1.05266%0.658SS**  trans-116.90167-82.3-172.8177.3-178.50111.5

Retrieved 307 of 307 residues in 123.4 ms (Link to these results)

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