A0A087XA22_POEFO Loading...

Arrestin, beta 2b

AlphaFold DB , UniProt , Accession A0A087XA22, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 407 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
1M32.4Very low65.1Low248 Ų248100.6 Ų100.6100%1.22255%0.549SS*.  0103.80-87.6165.4163.300106.5
2G35.2Very low67.6Low72 Ų7298 Ų9874%0.74253%0.528SS*.  trans-76.4128.217500000108.6K4G2-K4 PolarHBondContact O-N 3.46Å
3D37.4Very low69.6Low166 Ų16694.5 Ų94.589%0.88852%0.516SS*.  trans-54.3103.4167.5-85.5-28.9000108.2A5D3-A5 VanDerWaalsContact C-N 3.33Å; D3-A5 PolarHBondContact O-N 2.82Å
4K41.3Very low71.2Confident192 Ų19287.9 Ų87.984%0.83548%0.48SS*.  trans-7097.2168.9-76.6-175.5177-177.60106.3G2 G6G2-K4 PolarHBondContact O-N 3.46Å; K4-G6 PolarHBondContact O-N 3.2Å
5A55.3Low72.5Confident92 Ų9287 Ų8776%0.7648%0.48SS*.  trans-64.7107.5177.300000109D3D3-A5 VanDerWaalsContact C-N 3.33Å; D3-A5 PolarHBondContact O-N 2.82Å
6G65.1Low73.6Confident19 Ų1983.4 Ų83.420%0.19646%0.46CS..  trans-55.1158.7171.700000111.9K4 R8 D385K4-G6 PolarHBondContact O-N 3.2Å; G6-R8 PolarHBondContact O-N 2.91Å; G6-R8 VanDerWaalsContact O-N 3.09Å; G6-D385 CarbonylContact C-O 3.51Å; G6-D385 WeakPolarHBondContact CA-O 3.41Å
7T81.2Confident74.6Confident57 Ų5784.2 Ų84.235%0.3547%0.471SS..EExtended strand (participates in β ladder)trans-65113.9177.7-53.20000108.9L101 R104 D385 F386 V387T7-L101 HydrophobicContact CG2-CD1 4.46Å; T7-R104 PolarHBondContact OG1-NH1 2.79Å; T7-R104 PolarHBondContact OG1-NH2 3.45Å; T7-D385 PolarHBondContact N-O 3.3Å; T7-F386 HydrophobicContact CG2-CD1 4.11Å; T7-F386 HydrophobicContact CG2-CE1 3.91Å; T7-F386 WeakPolarHBondContact O-CA 3.34Å; T7-V387 PolarHBondContact O-N 3.46Å; T7-V387 VanDerWaalsContact O-N 3.1Å
8R88.5Confident75.6Confident154 Ų15483.2 Ų83.258%0.58146%0.461SS*.EExtended strand (participates in β ladder)trans-72.8133.3178.2-69.3-175.9176.4176.8-0.8110.7G6 E389G6-R8 PolarHBondContact O-N 2.91Å; G6-R8 VanDerWaalsContact O-N 3.09Å; R8-E389 WeakPolarHBondContact CD-OE1 3.49Å; R8-E389 IonicContact CZ-OE1 2.69Å; R8-E389 IonicContact NE-OE1 2.67Å; R8-E389 PolarHBondContact NE-OE1 3.45Å
9V92Very high76.5Confident0 Ų078.8 Ų78.80%044%0.437CS..EExtended strand (participates in β ladder)trans-133.2127175.7177.20000108.8Y22 L101 L105 F386 V387 F388 E389V9-Y22 HydrophobicContact CG1-CD1 4.1Å; V9-L101 HydrophobicContact CG2-CD1 3.94Å; V9-L105 HydrophobicContact CG1-CD1 4.24Å; V9-L105 HydrophobicContact CG1-CD2 4.18Å; V9-L105 HydrophobicContact CG2-CD2 4.29Å; V9-F386 HydrophobicContact CG2-CD1 3.44Å; V9-F386 VanDerWaalsContact CG2-CD1 3.44Å; V9-F386 HydrophobicContact CG2-CE1 3.73Å; V9-F386 HydrophobicContact CG2-CG 4.34Å; V9-V387 PolarHBondContact N-O 2.83Å; V9-F388 HydrophobicContact CB-CD1 3.91Å; V9-F388 HydrophobicContact CB-CE1 4.08Å; V9-F388 HydrophobicContact CG1-CD1 4.02Å; V9-F388 HydrophobicContact CG1-CE1 4Å; V9-F388 CarbonylContact O-C 3.59Å; V9-F388 VanDerWaalsContact O-CA 3.32Å; V9-F388 WeakPolarHBondContact O-CA 2.99Å; V9-E389 PolarHBondContact O-N 3.48Å
10F93.7Very high77.4Confident27 Ų2775.6 Ų75.612%0.11842%0.419CS..EExtended strand (participates in β ladder)trans-88137.3177.8-56.8-71.6000110.2Y22 L23 R26 E389 F391F10-Y22 CarbonylContact O-C 3.59Å; F10-Y22 VanDerWaalsContact O-CA 3.31Å; F10-Y22 WeakPolarHBondContact O-CA 3.37Å; F10-L23 PolarHBondContact N-O 3.06Å; F10-L23 PolarHBondContact O-N 3.2Å; F10-R26 HydrophobicContact CD1-CG 4.4Å; F10-R26 VanDerWaalsContact CD1-CZ 3.48Å; F10-R26 VanDerWaalsContact CD1-NE 3.25Å; F10-R26 VanDerWaalsContact CD1-NH2 3.27Å; F10-R26 HydrophobicContact CD2-CG 3.73Å; F10-R26 HydrophobicContact CE1-CG 4.5Å; F10-R26 VanDerWaalsContact CE1-NH2 3.3Å; F10-R26 HydrophobicContact CE2-CG 3.86Å; F10-R26 HydrophobicContact CG-CG 4Å; F10-R26 HydrophobicContact CZ-CG 4.24Å; F10-E389 CarbonylContact C-O 3.55Å; F10-E389 VanDerWaalsContact CA-O 3.3Å; F10-E389 WeakPolarHBondContact CA-O 3.4Å; F10-E389 HydrophobicContact CD1-CB 3.99Å; F10-E389 HydrophobicContact CE1-CB 4.18Å; F10-E389 WeakPolarHBondContact CE1-OE2 2.81Å; F10-F391 HydrophobicContact CB-CB 4.28Å; F10-F391 HydrophobicContact CB-CD2 3.74Å; F10-F391 HydrophobicContact CB-CG 4.47Å; F10-F391 HydrophobicContact CG-CD2 4.46Å
11K94.2Very high78.4Confident80 Ų8072 Ų7235%0.34840%0.4SS..EExtended strand (participates in β ladder)trans-128.9149.4175.770.3178.7-178.91800112.4T20 V21 Y22 F388 E389 F391K11-T20 HydrophobicContact CB-CG2 4.25Å; K11-V21 CarbonylContact C-O 3.49Å; K11-V21 WeakPolarHBondContact CA-O 3.23Å; K11-Y22 HydrophobicContact CB-CD1 3.62Å; K11-Y22 HydrophobicContact CB-CE1 3.64Å; K11-Y22 HydrophobicContact CB-CG 4.3Å; K11-Y22 HydrophobicContact CD-CE1 3.76Å; K11-Y22 HydrophobicContact CG-CE1 4.33Å; K11-F388 HydrophobicContact CD-CB 4.16Å; K11-E389 PolarHBondContact N-O 3.21Å; K11-F391 PolarHBondContact O-N 2.8Å
12K94.5Very high81.4Confident69 Ų6961 Ų6130%0.335%0.345SS..EExtended strand (participates in β ladder)trans-141.2132167.7-167.8173.9179.5174.40110T20 V21 V165 R166 L167 F391K12-T20 WeakPolarHBondContact O-CA 3.33Å; K12-V21 PolarHBondContact N-O 3.02Å; K12-V21 PolarHBondContact O-N 3Å; K12-V165 HydrophobicContact CB-CG1 3.88Å; K12-V165 HydrophobicContact CD-CG1 4.13Å; K12-V165 HydrophobicContact CG-CG1 3.92Å; K12-R166 WeakPolarHBondContact CD-O 3.23Å; K12-R166 WeakPolarHBondContact CE-O 3.47Å; K12-R166 PolarHBondContact NZ-O 3.21Å; K12-L167 HydrophobicContact CB-CD2 3.52Å; K12-L167 HydrophobicContact CB-CG 4.4Å; K12-L167 HydrophobicContact CD-CD2 3.81Å; K12-L167 HydrophobicContact CD-CG 4.37Å; K12-L167 HydrophobicContact CG-CD2 4.3Å; K12-F391 HydrophobicContact CB-CB 4.14Å
13S93.6Very high84.2Confident53 Ų5357.6 Ų57.637%0.37131%0.31SS..EExtended strand (participates in β ladder)trans-99.4155.7177.7-59.70000111.1L19 T20S13-L19 CarbonylContact C-O 3.58Å; S13-L19 WeakPolarHBondContact CA-O 3.34Å; S13-T20 WeakPolarHBondContact CB-OG1 3.14Å; S13-T20 WeakPolarHBondContact OG-CG2 3.35Å; S13-T20 PolarHBondContact OG-OG1 3.14Å
14S92.8Very high86.8Confident2 Ų250.7 Ų50.71%0.01428%0.277CS..  trans-70158.7172.953.60000109.9N16 C17 K18 L19 V165S14-N16 WeakPolarHBondContact CB-OD1 3.19Å; S14-N16 PolarHBondContact O-N 2.91Å; S14-N16 VanDerWaalsContact O-N 3.08Å; S14-N16 PolarHBondContact OG-OD1 3.16Å; S14-C17 WeakPolarHBondContact O-CA 3.31Å; S14-C17 PolarHBondContact O-N 3.32Å; S14-K18 PolarHBondContact OG-N 3.4Å; S14-L19 PolarHBondContact N-O 3.41Å; S14-L19 PolarHBondContact OG-N 3.02Å; S14-L19 PolarHBondContact OG-O 2.82Å; S14-V165 VanDerWaalsContact N-CG2 3.29Å
15P91Very high89.1Confident74 Ų7446.6 Ų46.648%0.48126%0.259SS..THydrogen-bonded Turntrans-56.7-27.2178.3-28.235.5000114.4S164P15-S164 WeakPolarHBondContact CD-O 3.38Å
16N90Very high90.9Very high30 Ų3043.9 Ų43.916%0.1623%0.229CC..THydrogen-bonded Turntrans-90.23.1174.368.6-3.1000114.5S14 K18 R162S14-N16 WeakPolarHBondContact CB-OD1 3.19Å; S14-N16 PolarHBondContact O-N 2.91Å; S14-N16 VanDerWaalsContact O-N 3.08Å; S14-N16 PolarHBondContact OG-OD1 3.16Å; N16-K18 HydrophobicContact CB-CG 4.32Å; N16-K18 WeakPolarHBondContact O-CG 3.28Å; N16-K18 PolarHBondContact O-N 3.23Å; N16-K18 VanDerWaalsContact O-N 3.08Å; N16-K18 PolarHBondContact OD1-N 2.62Å; N16-K18 VanDerWaalsContact OD1-N 3.13Å; N16-R162 HydrophobicContact CB-CG 4.04Å; N16-R162 PolarHBondContact N-O 3.48Å; N16-R162 PolarHBondContact OD1-O 3.41Å
17C90.1Very high92.1Very high96 Ų9645 Ų4565%0.64923%0.231SC*.SBendtrans57.815.1-177.4-57.80000115.7S14S14-C17 WeakPolarHBondContact O-CA 3.31Å; S14-C17 PolarHBondContact O-N 3.32Å
18K92.3Very high92.6Very high66 Ų6642.6 Ų42.629%0.28722%0.216SC..SBendtrans-89.1-14.6-178.4-60.8-54.4-168.7174.70114.2S14 N16 D45 Y48S14-K18 PolarHBondContact OG-N 3.4Å; N16-K18 HydrophobicContact CB-CG 4.32Å; N16-K18 WeakPolarHBondContact O-CG 3.28Å; N16-K18 PolarHBondContact O-N 3.23Å; N16-K18 VanDerWaalsContact O-N 3.08Å; N16-K18 PolarHBondContact OD1-N 2.62Å; N16-K18 VanDerWaalsContact OD1-N 3.13Å; K18-D45 HydrophobicContact CB-CB 4.28Å; K18-D45 HydrophobicContact CD-CB 3.84Å; K18-D45 WeakPolarHBondContact CD-OD2 3.46Å; K18-D45 WeakPolarHBondContact CE-OD2 3.3Å; K18-D45 IonicContact NZ-OD2 3.34Å; K18-D45 PolarHBondContact NZ-OD2 3.17Å; K18-D45 PolarHBondContact O-N 2.91Å; K18-Y48 HydrophobicContact CB-CD1 3.74Å; K18-Y48 HydrophobicContact CB-CD2 4.17Å; K18-Y48 HydrophobicContact CB-CE1 4.26Å; K18-Y48 HydrophobicContact CB-CG 3.69Å; K18-Y48 HydrophobicContact CD-CG 4.43Å; K18-Y48 HydrophobicContact CG-CD1 4.29Å; K18-Y48 HydrophobicContact CG-CD2 3.77Å; K18-Y48 HydrophobicContact CG-CE2 4.3Å; K18-Y48 HydrophobicContact CG-CG 3.76Å
19L93.4Very high92.6Very high1 Ų135.8 Ų35.81%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-133.3128.4-179.5-171.769.1000108.3S13 S14 I42 V44 V54 A149 V165S13-L19 CarbonylContact C-O 3.58Å; S13-L19 WeakPolarHBondContact CA-O 3.34Å; S14-L19 PolarHBondContact N-O 3.41Å; S14-L19 PolarHBondContact OG-N 3.02Å; S14-L19 PolarHBondContact OG-O 2.82Å; L19-I42 HydrophobicContact CD1-CG2 3.33Å; L19-I42 HydrophobicContact CG-CG2 4.17Å; L19-V44 HydrophobicContact CD1-CB 4.47Å; L19-V44 HydrophobicContact CD1-CG1 4.37Å; L19-V44 HydrophobicContact CD1-CG2 3.78Å; L19-V54 HydrophobicContact CD1-CG1 4.04Å; L19-A149 HydrophobicContact CD2-CB 3.9Å; L19-A149 WeakPolarHBondContact CD2-O 3.49Å; L19-V165 HydrophobicContact CB-CG2 4.31Å; L19-V165 HydrophobicContact CD2-CG2 4.18Å; L19-V165 HydrophobicContact CG-CG2 4.23Å
20T94.9Very high92.4Very high13 Ų1336.3 Ų36.38%0.0819%0.194CC..EExtended strand (participates in β ladder)trans-132.2130.9176.4-57.40000110K11 K12 S13 Y22 I42 L43K11-T20 HydrophobicContact CB-CG2 4.25Å; K12-T20 WeakPolarHBondContact O-CA 3.33Å; S13-T20 WeakPolarHBondContact CB-OG1 3.14Å; S13-T20 WeakPolarHBondContact OG-CG2 3.35Å; S13-T20 PolarHBondContact OG-OG1 3.14Å; T20-Y22 HydrophobicContact CG2-CD2 4.22Å; T20-Y22 HydrophobicContact CG2-CE1 4.46Å; T20-Y22 HydrophobicContact CG2-CE2 3.52Å; T20-I42 CarbonylContact O-C 3.47Å; T20-I42 WeakPolarHBondContact O-CA 3.41Å; T20-L43 PolarHBondContact N-O 2.96Å; T20-L43 PolarHBondContact O-N 2.8Å
21V96.5Very high91.9Very high2 Ų237.6 Ų37.61%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-106136.7178.8-1790000109.2K11 K12 L23 I42 F116 A149 V165 L167K11-V21 CarbonylContact C-O 3.49Å; K11-V21 WeakPolarHBondContact CA-O 3.23Å; K12-V21 PolarHBondContact N-O 3.02Å; K12-V21 PolarHBondContact O-N 3Å; V21-L23 HydrophobicContact CG1-CG 4.43Å; V21-I42 HydrophobicContact CG2-CG1 4.48Å; V21-F116 HydrophobicContact CG1-CE1 3.95Å; V21-F116 HydrophobicContact CG1-CZ 3.89Å; V21-A149 HydrophobicContact CG2-CB 3.48Å; V21-A149 VanDerWaalsContact CG2-CB 3.48Å; V21-V165 HydrophobicContact CB-CG1 4.32Å; V21-V165 HydrophobicContact CG2-CB 3.96Å; V21-V165 HydrophobicContact CG2-CG1 3.93Å; V21-V165 HydrophobicContact CG2-CG2 4.33Å; V21-L167 HydrophobicContact CB-CD1 3.73Å; V21-L167 HydrophobicContact CG1-CD1 3.42Å; V21-L167 VanDerWaalsContact CG1-CD1 3.42Å; V21-L167 HydrophobicContact CG2-CD1 4.29Å
22Y95.9Very high91.2Very high16 Ų1635.7 Ų35.76%0.06319%0.194CC..EExtended strand (participates in β ladder)trans-118.8131.1177.9-62.6-97000110.1V9 F10 K11 T20 G40 V41 L43 L109 F388V9-Y22 HydrophobicContact CG1-CD1 4.1Å; F10-Y22 CarbonylContact O-C 3.59Å; F10-Y22 VanDerWaalsContact O-CA 3.31Å; F10-Y22 WeakPolarHBondContact O-CA 3.37Å; K11-Y22 HydrophobicContact CB-CD1 3.62Å; K11-Y22 HydrophobicContact CB-CE1 3.64Å; K11-Y22 HydrophobicContact CB-CG 4.3Å; K11-Y22 HydrophobicContact CD-CE1 3.76Å; K11-Y22 HydrophobicContact CG-CE1 4.33Å; T20-Y22 HydrophobicContact CG2-CD2 4.22Å; T20-Y22 HydrophobicContact CG2-CE1 4.46Å; T20-Y22 HydrophobicContact CG2-CE2 3.52Å; Y22-G40 WeakPolarHBondContact O-CA 3.34Å; Y22-V41 PolarHBondContact N-O 3.45Å; Y22-V41 PolarHBondContact O-N 2.97Å; Y22-L43 HydrophobicContact CE2-CB 3.78Å; Y22-L43 HydrophobicContact CE2-CD2 4.46Å; Y22-L109 HydrophobicContact CD1-CD1 4.4Å; Y22-L109 HydrophobicContact CD2-CD1 3.67Å; Y22-L109 HydrophobicContact CE1-CD1 4.42Å; Y22-L109 HydrophobicContact CE1-CD2 4.08Å; Y22-L109 HydrophobicContact CE2-CD1 3.69Å; Y22-L109 HydrophobicContact CE2-CD2 4.08Å; Y22-L109 HydrophobicContact CG-CD1 4.05Å; Y22-F388 AromaticContact CD1-CD1 3.85Å; Y22-F388 HydrophobicContact CD1-CD1 3.85Å; Y22-F388 AromaticContact CD1-CE1 3.61Å; Y22-F388 HydrophobicContact CD1-CE1 3.61Å; Y22-F388 AromaticContact CE1-CD1 3.8Å; Y22-F388 HydrophobicContact CE1-CD1 3.8Å; Y22-F388 AromaticContact CE1-CE1 3.62Å; Y22-F388 HydrophobicContact CE1-CE1 3.62Å; Y22-F388 HydrophobicContact CE1-CZ 4.24Å
23L94.9Very high90.6Very high1 Ų136.8 Ų36.81%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-133.6140.3178.1-71.6172.9000110.3F10 V21 V38 F116 I147 L167 I169 F391F10-L23 PolarHBondContact N-O 3.06Å; F10-L23 PolarHBondContact O-N 3.2Å; V21-L23 HydrophobicContact CG1-CG 4.43Å; L23-V38 HydrophobicContact CD2-CG1 4.17Å; L23-F116 HydrophobicContact CD2-CE2 4.33Å; L23-F116 HydrophobicContact CD2-CZ 3.86Å; L23-I147 HydrophobicContact CD1-CD1 3.77Å; L23-I147 HydrophobicContact CD2-CD1 4.32Å; L23-L167 HydrophobicContact CD1-CD1 3.98Å; L23-I169 HydrophobicContact CD1-CG2 4.13Å; L23-F391 HydrophobicContact CD1-CD2 4.35Å; L23-F391 HydrophobicContact CD1-CE2 3.78Å
24G91.1Very high90.2Very high20 Ų2038.3 Ų38.321%0.20620%0.204CC..SBendtrans-75.8-25.4175.800000114
25K91.1Very high90Very high106 Ų10638.6 Ų38.646%0.46121%0.206SC..  trans-139.4154.1-175.1-59-178.4-175.1179.40110.6F28 D36K25-F28 HydrophobicContact CB-CE1 4.43Å; K25-F28 HydrophobicContact CB-CZ 4.29Å; K25-D36 IonicContact NZ-OD2 2.72Å; K25-D36 PolarHBondContact NZ-OD2 2.9Å
26R91.3Very high90Very high35 Ų3536.1 Ų36.113%0.13219%0.188CC..SBendtrans-101.6-21.4169.2-53.2-172.9-175147.8-11.5112.8F10 I169 R170 D390 F391 A392 R393F10-R26 HydrophobicContact CD1-CG 4.4Å; F10-R26 VanDerWaalsContact CD1-CZ 3.48Å; F10-R26 VanDerWaalsContact CD1-NE 3.25Å; F10-R26 VanDerWaalsContact CD1-NH2 3.27Å; F10-R26 HydrophobicContact CD2-CG 3.73Å; F10-R26 HydrophobicContact CE1-CG 4.5Å; F10-R26 VanDerWaalsContact CE1-NH2 3.3Å; F10-R26 HydrophobicContact CE2-CG 3.86Å; F10-R26 HydrophobicContact CG-CG 4Å; F10-R26 HydrophobicContact CZ-CG 4.24Å; R26-I169 CarbonylContact O-C 3.56Å; R26-I169 WeakPolarHBondContact O-CA 3.12Å; R26-I169 WeakPolarHBondContact O-CB 3.43Å; R26-R170 PolarHBondContact O-N 3.05Å; R26-D390 PolarHBondContact NH2-O 3.42Å; R26-F391 HydrophobicContact CB-CE2 4.15Å; R26-F391 HydrophobicContact CB-CZ 4.25Å; R26-F391 HydrophobicContact CG-CD2 4.03Å; R26-F391 HydrophobicContact CG-CE2 3.67Å; R26-F391 HydrophobicContact CG-CZ 4.11Å; R26-F391 VanDerWaalsContact CZ-O 3.27Å; R26-F391 PolarHBondContact NE-O 3.46Å; R26-F391 PolarHBondContact NH2-O 3.39Å; R26-A392 PolarHBondContact NH2-O 2.71Å; R26-R393 PolarHBondContact O-NH2 2.94Å
27D90.9Very high90.1Very high43 Ų4337.8 Ų37.823%0.2320%0.201CC..EExtended strand (participates in β ladder)trans-120.1127.3-176.5-57.6-22.3000108.1R170 V172 R393D27-R170 CarbonylContact C-O 3.52Å; D27-R170 WeakPolarHBondContact CA-O 3.29Å; D27-R170 WeakPolarHBondContact OD1-CB 3.38Å; D27-R170 IonicContact OD1-CZ 2.82Å; D27-R170 IonicContact OD1-NE 3.8Å; D27-R170 PolarHBondContact OD1-NE 3.42Å; D27-R170 IonicContact OD1-NH2 3.6Å; D27-R170 PolarHBondContact OD1-NH2 3.42Å; D27-R170 IonicContact OD2-CZ 2.72Å; D27-R170 IonicContact OD2-NE 3.69Å; D27-R170 IonicContact OD2-NH2 3.91Å; D27-R170 PolarHBondContact OD2-NH2 3.44Å; D27-V172 HydrophobicContact CB-CG1 4.38Å; D27-V172 HydrophobicContact CB-CG2 4.23Å; D27-R393 IonicContact OD1-CZ 3.37Å; D27-R393 IonicContact OD1-NH1 3.75Å; D27-R393 PolarHBondContact OD1-NH1 3.26Å; D27-R393 IonicContact OD1-NH2 2.87Å; D27-R393 PolarHBondContact OD1-NH2 3.49Å; D27-R393 IonicContact OD2-NH1 3.99Å
28F91.5Very high90.3Very high6 Ų633.2 Ų33.23%0.02617%0.17CC..EExtended strand (participates in β ladder)trans-115.6129.4-178.1-66.2-89.4000108.9K25 D36 P37 V38 I120 I169 R170 K171 V172K25-F28 HydrophobicContact CB-CE1 4.43Å; K25-F28 HydrophobicContact CB-CZ 4.29Å; F28-D36 HydrophobicContact CB-CB 4.3Å; F28-D36 HydrophobicContact CD1-CB 4.14Å; F28-P37 WeakPolarHBondContact CD1-O 3.49Å; F28-P37 WeakPolarHBondContact CE1-O 3.22Å; F28-V38 HydrophobicContact CD1-CG2 3.88Å; F28-V38 HydrophobicContact CD2-CG2 4.14Å; F28-V38 HydrophobicContact CE1-CB 4.05Å; F28-V38 HydrophobicContact CE1-CG1 4.25Å; F28-V38 HydrophobicContact CE1-CG2 3.85Å; F28-V38 HydrophobicContact CE2-CG1 4.31Å; F28-V38 HydrophobicContact CE2-CG2 4.09Å; F28-V38 HydrophobicContact CG-CG2 4.04Å; F28-V38 HydrophobicContact CZ-CB 4.11Å; F28-V38 HydrophobicContact CZ-CG1 3.83Å; F28-V38 HydrophobicContact CZ-CG2 3.94Å; F28-I120 HydrophobicContact CB-CD1 4.44Å; F28-I169 HydrophobicContact CD2-CB 4.05Å; F28-I169 HydrophobicContact CD2-CD1 3.66Å; F28-I169 HydrophobicContact CD2-CG1 4.43Å; F28-I169 HydrophobicContact CD2-CG2 4.43Å; F28-I169 HydrophobicContact CE2-CB 3.93Å; F28-I169 HydrophobicContact CE2-CD1 3.76Å; F28-I169 HydrophobicContact CE2-CG1 4.46Å; F28-I169 HydrophobicContact CE2-CG2 3.8Å; F28-R170 PolarHBondContact N-O 3.23Å; F28-K171 CarbonylContact O-C 3.59Å; F28-K171 WeakPolarHBondContact O-CA 3.35Å; F28-V172 PolarHBondContact O-N 3.06Å
29V89.3Confident90.4Very high11 Ų1131.9 Ų31.97%0.06717%0.166CC..EExtended strand (participates in β ladder)trans-88132.3-169.3-173.50000110.5V35 D36 V172 Y174V29-V35 CarbonylContact O-C 3.54Å; V29-V35 WeakPolarHBondContact O-CA 3.46Å; V29-V35 WeakPolarHBondContact O-CG1 3.4Å; V29-D36 PolarHBondContact O-N 2.81Å; V29-V172 CarbonylContact C-O 3.51Å; V29-V172 WeakPolarHBondContact CA-O 3.48Å; V29-V172 HydrophobicContact CG2-CG2 4.41Å; V29-Y174 HydrophobicContact CB-CD2 4.17Å; V29-Y174 HydrophobicContact CB-CE2 4.13Å; V29-Y174 HydrophobicContact CG1-CD2 3.28Å; V29-Y174 HydrophobicContact CG1-CE2 3.74Å; V29-Y174 HydrophobicContact CG1-CG 4.12Å; V29-Y174 HydrophobicContact CG2-CD2 3.77Å; V29-Y174 HydrophobicContact CG2-CE2 3.24Å
30D88.3Confident90.4Very high11 Ų1131.9 Ų31.96%0.05917%0.166CC..EExtended strand (participates in β ladder)trans-93.7114.5164.1-174.3-8.9000109.6L32 V35 K171 V172 Q173D30-L32 WeakPolarHBondContact OD1-CA 3.5Å; D30-L32 PolarHBondContact OD1-N 3.06Å; D30-V35 HydrophobicContact CB-CG2 4.24Å; D30-K171 HydrophobicContact CB-CG 4.43Å; D30-K171 WeakPolarHBondContact OD2-CE 3.46Å; D30-K171 IonicContact OD2-NZ 3.17Å; D30-K171 PolarHBondContact OD2-NZ 3.48Å; D30-V172 PolarHBondContact N-O 2.69Å; D30-Q173 HydrophobicContact CB-CG 4.37Å
31H83.4Confident90.4Very high55 Ų5531.3 Ų31.326%0.25516%0.162SC..  trans-92.68.3-179.7-58.6-81.2000113D33 H34 D36H31-D33 WeakPolarHBondContact CB-OD1 3.27Å; H31-D33 PolarHBondContact O-N 3.24Å; H31-H34 WeakPolarHBondContact CB-O 3.49Å; H31-H34 AromaticContact CD2-CD2 3.94Å; H31-H34 AromaticContact CD2-CE1 3.46Å; H31-H34 PolarHBondContact CD2-CE1 2.96Å; H31-H34 VanDerWaalsContact CD2-CE1 3.46Å; H31-H34 AromaticContact CD2-NE2 3.41Å; H31-H34 PolarHBondContact CD2-NE2 2.78Å; H31-H34 AromaticContact CG-CE1 3.76Å; H31-H34 PolarHBondContact N-O 2.95Å; H31-H34 AromaticContact NE2-NE2 3.91Å; H31-D36 IonicContact CD2-OD1 3.11Å; H31-D36 IonicContact CE1-OD1 3.72Å; H31-D36 IonicContact NE2-OD1 3.06Å; H31-D36 PolarHBondContact NE2-OD1 3.32Å
32L78.7Confident90.4Very high39 Ų3931.2 Ų31.220%0.20416%0.162CC..SBendtrans70.3-28.5-172-58.1162.1000115.1D30 I306 K308D30-L32 WeakPolarHBondContact OD1-CA 3.5Å; D30-L32 PolarHBondContact OD1-N 3.06Å; L32-I306 HydrophobicContact CD1-CG2 4.31Å; L32-I306 HydrophobicContact CD2-CB 4.02Å; L32-I306 HydrophobicContact CD2-CG2 3.71Å; L32-K308 HydrophobicContact CB-CD 4.44Å; L32-K308 WeakPolarHBondContact O-CD 3.41Å; L32-K308 WeakPolarHBondContact O-CE 3.39Å; L32-K308 PolarHBondContact O-NZ 2.79Å
33D81.4Confident90.3Very high92 Ų9232.7 Ų32.749%0.49217%0.171SC..SBendtrans-102.8-23.5178.170-34.1000112.8H31 Q122H31-D33 WeakPolarHBondContact CB-OD1 3.27Å; H31-D33 PolarHBondContact O-N 3.24Å; D33-Q122 VanDerWaalsContact C-NE2 3.34Å; D33-Q122 PolarHBondContact O-NE2 3.1Å
34H84.8Confident90.3Very high86 Ų8632.8 Ų32.840%0.39817%0.171SC..  trans-158.4166.8171.470.4-69.6000110.4H31H31-H34 WeakPolarHBondContact CB-O 3.49Å; H31-H34 AromaticContact CD2-CD2 3.94Å; H31-H34 AromaticContact CD2-CE1 3.46Å; H31-H34 PolarHBondContact CD2-CE1 2.96Å; H31-H34 VanDerWaalsContact CD2-CE1 3.46Å; H31-H34 AromaticContact CD2-NE2 3.41Å; H31-H34 PolarHBondContact CD2-NE2 2.78Å; H31-H34 AromaticContact CG-CE1 3.76Å; H31-H34 PolarHBondContact N-O 2.95Å; H31-H34 AromaticContact NE2-NE2 3.91Å
35V89.2Confident90.3Very high8 Ų833.7 Ų33.75%0.04817%0.171CC..BIsolated β-bridgetrans-116.9138.3174.1-173.90000108.1V29 D30 I120 Q122V29-V35 CarbonylContact O-C 3.54Å; V29-V35 WeakPolarHBondContact O-CA 3.46Å; V29-V35 WeakPolarHBondContact O-CG1 3.4Å; D30-V35 HydrophobicContact CB-CG2 4.24Å; V35-I120 HydrophobicContact CB-CB 4.15Å; V35-I120 HydrophobicContact CG1-CB 3.86Å; V35-I120 HydrophobicContact CG1-CD1 4.12Å; V35-I120 HydrophobicContact CG1-CG2 4.14Å; V35-I120 HydrophobicContact CG2-CG2 4.45Å; V35-Q122 HydrophobicContact CG2-CG 4.38Å
36D90.7Very high90.2Very high22 Ų2231.5 Ų31.512%0.11817%0.168CC..  trans-49.5126.2173.6-85.414.6000109.8K25 F28 V29 H31K25-D36 IonicContact NZ-OD2 2.72Å; K25-D36 PolarHBondContact NZ-OD2 2.9Å; F28-D36 HydrophobicContact CB-CB 4.3Å; F28-D36 HydrophobicContact CD1-CB 4.14Å; V29-D36 PolarHBondContact O-N 2.81Å; H31-D36 IonicContact CD2-OD1 3.11Å; H31-D36 IonicContact CE1-OD1 3.72Å; H31-D36 IonicContact NE2-OD1 3.06Å; H31-D36 PolarHBondContact NE2-OD1 3.32Å
37P92.3Very high90Very high64 Ų6437.1 Ų37.142%0.41620%0.196SC..  trans-67.2147.9178.128.6-34.3000110.8F28 D39 F118F28-P37 WeakPolarHBondContact CD1-O 3.49Å; F28-P37 WeakPolarHBondContact CE1-O 3.22Å; P37-D39 PolarHBondContact O-N 3.25Å; P37-F118 WeakPolarHBondContact CA-O 3.46Å
38V94.6Very high89.8Confident0 Ų037.2 Ų37.20%019%0.193CC..EExtended strand (participates in β ladder)trans-89.996.3175.4-179.20000108.5L23 F28 Y117 F118 I120 I147 I169L23-V38 HydrophobicContact CD2-CG1 4.17Å; F28-V38 HydrophobicContact CD1-CG2 3.88Å; F28-V38 HydrophobicContact CD2-CG2 4.14Å; F28-V38 HydrophobicContact CE1-CB 4.05Å; F28-V38 HydrophobicContact CE1-CG1 4.25Å; F28-V38 HydrophobicContact CE1-CG2 3.85Å; F28-V38 HydrophobicContact CE2-CG1 4.31Å; F28-V38 HydrophobicContact CE2-CG2 4.09Å; F28-V38 HydrophobicContact CG-CG2 4.04Å; F28-V38 HydrophobicContact CZ-CB 4.11Å; F28-V38 HydrophobicContact CZ-CG1 3.83Å; F28-V38 HydrophobicContact CZ-CG2 3.94Å; V38-Y117 CarbonylContact O-C 3.59Å; V38-Y117 VanDerWaalsContact O-CA 3.22Å; V38-Y117 WeakPolarHBondContact O-CA 3.42Å; V38-F118 HydrophobicContact CB-CB 4.14Å; V38-F118 PolarHBondContact N-O 3.3Å; V38-F118 PolarHBondContact O-N 2.58Å; V38-I120 HydrophobicContact CG2-CD1 3.78Å; V38-I120 HydrophobicContact CG2-CG1 4.2Å; V38-I147 HydrophobicContact CG1-CD1 3.52Å; V38-I169 HydrophobicContact CG2-CD1 3.87Å
39D93.5Very high89.4Confident39 Ų3937.7 Ų37.721%0.20920%0.196CC..EExtended strand (participates in β ladder)trans-100.4129.4176.3-63.1-28.7000111.2P37 S99 Q102P37-D39 PolarHBondContact O-N 3.25Å; D39-S99 WeakPolarHBondContact OD2-CB 3.45Å; D39-S99 PolarHBondContact OD2-OG 2.88Å; D39-Q102 HydrophobicContact CB-CG 4.44Å
40G94.4Very high89.3Confident1 Ų145.2 Ų45.21%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-148.5175.4175.900000113.7Y22 Q102 F116Y22-G40 WeakPolarHBondContact O-CA 3.34Å; G40-Q102 PolarHBondContact O-NE2 2.86Å; G40-F116 PolarHBondContact N-O 3.27Å; G40-F116 WeakPolarHBondContact O-CD1 3.28Å; G40-F116 PolarHBondContact O-N 3.27Å; G40-F116 VanDerWaalsContact O-O 3.12Å
41V95.4Very high89.2Confident0 Ų049.8 Ų49.80%025%0.252CS..EExtended strand (participates in β ladder)trans-131.8140.7175.5179.30000108.9Y22 Q102 L105 L106 L109 A113 H114Y22-V41 PolarHBondContact N-O 3.45Å; Y22-V41 PolarHBondContact O-N 2.97Å; V41-Q102 HydrophobicContact CG2-CB 4.22Å; V41-Q102 HydrophobicContact CG2-CG 3.97Å; V41-L105 HydrophobicContact CB-CB 4.38Å; V41-L105 HydrophobicContact CB-CD1 4.33Å; V41-L105 HydrophobicContact CG2-CB 3.83Å; V41-L105 HydrophobicContact CG2-CD1 3.98Å; V41-L106 HydrophobicContact CG1-CD2 3.98Å; V41-L109 HydrophobicContact CB-CD1 4.48Å; V41-L109 HydrophobicContact CG1-CD1 3.92Å; V41-A113 HydrophobicContact CG1-CB 3.76Å; V41-H114 WeakPolarHBondContact CA-O 3.37Å
42I95.4Very high89.5Confident0 Ų049.8 Ų49.80%025%0.25CS..EExtended strand (participates in β ladder)trans-110.4130.2174-55.7167.8000108.4L19 T20 V21 V44 V54 V56 A87 A113 H114 F116 A149L19-I42 HydrophobicContact CD1-CG2 3.33Å; L19-I42 HydrophobicContact CG-CG2 4.17Å; T20-I42 CarbonylContact O-C 3.47Å; T20-I42 WeakPolarHBondContact O-CA 3.41Å; V21-I42 HydrophobicContact CG2-CG1 4.48Å; I42-V44 HydrophobicContact CG2-CG2 3.71Å; I42-V54 HydrophobicContact CD1-CG1 3.87Å; I42-V54 HydrophobicContact CG2-CG1 4.29Å; I42-V56 HydrophobicContact CD1-CG2 3.1Å; I42-V56 HydrophobicContact CG1-CG2 4.16Å; I42-A87 HydrophobicContact CD1-CB 3.5Å; I42-A113 CarbonylContact O-C 3.56Å; I42-A113 VanDerWaalsContact O-CA 3.28Å; I42-A113 WeakPolarHBondContact O-CA 3.26Å; I42-H114 PolarHBondContact N-O 3.13Å; I42-H114 PolarHBondContact O-N 3.34Å; I42-F116 HydrophobicContact CD1-CD1 4Å; I42-F116 HydrophobicContact CD1-CE1 4.45Å; I42-F116 HydrophobicContact CG1-CD1 3.63Å; I42-F116 HydrophobicContact CG1-CE1 3.76Å; I42-A149 HydrophobicContact CD1-CB 4.48Å
43L94.9Very high90.2Very high47 Ų4751.6 Ų51.625%0.24626%0.256CS..EExtended strand (participates in β ladder)trans-99128.6166.2-177.866000109T20 Y22 H112T20-L43 PolarHBondContact N-O 2.96Å; T20-L43 PolarHBondContact O-N 2.8Å; Y22-L43 HydrophobicContact CE2-CB 3.78Å; Y22-L43 HydrophobicContact CE2-CD2 4.46Å; L43-H112 HydrophobicContact CD1-CB 4.22Å
44V93.7Very high90.7Very high4 Ų447.2 Ų47.22%0.02423%0.233CC..EExtended strand (participates in β ladder)trans-123.5139.5-177.7-167.80000109.4L19 I42 P46 L49 V54 H112L19-V44 HydrophobicContact CD1-CB 4.47Å; L19-V44 HydrophobicContact CD1-CG1 4.37Å; L19-V44 HydrophobicContact CD1-CG2 3.78Å; I42-V44 HydrophobicContact CG2-CG2 3.71Å; V44-P46 WeakPolarHBondContact O-CD 3.45Å; V44-L49 HydrophobicContact CG1-CB 4.38Å; V44-L49 HydrophobicContact CG1-CD1 4.07Å; V44-L49 HydrophobicContact CG1-CD2 4.39Å; V44-V54 HydrophobicContact CG1-CG2 4.12Å; V44-V54 HydrophobicContact CG2-CG1 4.4Å; V44-V54 HydrophobicContact CG2-CG2 3.89Å; V44-H112 PolarHBondContact N-O 2.77Å; V44-H112 WeakPolarHBondContact O-CB 3.49Å
45D92.1Very high91.2Very high38 Ų3843.6 Ų43.620%0.20322%0.216CC..  trans-75.7118.7171-174.2-26.3000110.6K18 E47 Y48 L49K18-D45 HydrophobicContact CB-CB 4.28Å; K18-D45 HydrophobicContact CD-CB 3.84Å; K18-D45 WeakPolarHBondContact CD-OD2 3.46Å; K18-D45 WeakPolarHBondContact CE-OD2 3.3Å; K18-D45 IonicContact NZ-OD2 3.34Å; K18-D45 PolarHBondContact NZ-OD2 3.17Å; K18-D45 PolarHBondContact O-N 2.91Å; D45-E47 VanDerWaalsContact C-N 3.29Å; D45-E47 PolarHBondContact O-N 3.1Å; D45-E47 WeakPolarHBondContact OD1-CB 3.25Å; D45-E47 PolarHBondContact OD1-N 3.2Å; D45-Y48 WeakPolarHBondContact O-CB 3.46Å; D45-Y48 PolarHBondContact O-N 3.03Å; D45-Y48 VanDerWaalsContact O-N 3.12Å; D45-L49 PolarHBondContact O-N 2.89Å
46P88.3Confident91.4Very high61 Ų6143.2 Ų43.240%0.39621%0.213SC..Hα-helixtrans-62.5-32.3-178.927.2-36.4000113.3V44 Y48 L49V44-P46 WeakPolarHBondContact O-CD 3.45Å; P46-Y48 PolarHBondContact O-N 2.8Å; P46-L49 PolarHBondContact O-N 2.92Å
47E88.3Confident91.6Very high152 Ų15242.9 Ų42.971%0.7121%0.212SC*.Hα-helixtrans-66.9-29.7177.6-62.9-174.5169.400111.6D45 K50D45-E47 VanDerWaalsContact C-N 3.29Å; D45-E47 PolarHBondContact O-N 3.1Å; D45-E47 WeakPolarHBondContact OD1-CB 3.25Å; D45-E47 PolarHBondContact OD1-N 3.2Å; E47-K50 WeakPolarHBondContact O-CE 3.32Å; E47-K50 WeakPolarHBondContact O-CG 3.35Å
48Y86.3Confident91.8Very high46 Ų4639.8 Ų39.818%0.1819%0.192CC..Hα-helixtrans-80.6-35.2176.1-169.4-106.7000111.8K18 D45 P46 K50 R52 C151 N163K18-Y48 HydrophobicContact CB-CD1 3.74Å; K18-Y48 HydrophobicContact CB-CD2 4.17Å; K18-Y48 HydrophobicContact CB-CE1 4.26Å; K18-Y48 HydrophobicContact CB-CG 3.69Å; K18-Y48 HydrophobicContact CD-CG 4.43Å; K18-Y48 HydrophobicContact CG-CD1 4.29Å; K18-Y48 HydrophobicContact CG-CD2 3.77Å; K18-Y48 HydrophobicContact CG-CE2 4.3Å; K18-Y48 HydrophobicContact CG-CG 3.76Å; D45-Y48 WeakPolarHBondContact O-CB 3.46Å; D45-Y48 PolarHBondContact O-N 3.03Å; D45-Y48 VanDerWaalsContact O-N 3.12Å; P46-Y48 PolarHBondContact O-N 2.8Å; Y48-K50 PolarHBondContact O-N 3.12Å; Y48-R52 VanDerWaalsContact CZ-NH2 3.28Å; Y48-R52 PolarHBondContact O-NE 2.81Å; Y48-R52 PolarHBondContact O-NH2 2.87Å; Y48-R52 PolarHBondContact OH-NH1 2.98Å; Y48-C151 HydrophobicContact CE1-CB 4.03Å; Y48-N163 HydrophobicContact CE1-CB 4.23Å; Y48-N163 WeakPolarHBondContact OH-CB 3.04Å
49L83.1Confident91.7Very high15 Ų1540.2 Ų40.28%0.07920%0.195CC..Hα-helixtrans-60.9-48.9-172-166.953.9000112.6V44 D45 P46 D51 R52 V54 F88V44-L49 HydrophobicContact CG1-CB 4.38Å; V44-L49 HydrophobicContact CG1-CD1 4.07Å; V44-L49 HydrophobicContact CG1-CD2 4.39Å; D45-L49 PolarHBondContact O-N 2.89Å; P46-L49 PolarHBondContact O-N 2.92Å; L49-D51 PolarHBondContact O-N 3.35Å; L49-D51 VanDerWaalsContact O-N 3.16Å; L49-R52 VanDerWaalsContact CD1-O 3.27Å; L49-R52 WeakPolarHBondContact CD1-O 3.31Å; L49-R52 WeakPolarHBondContact O-CA 3.44Å; L49-R52 VanDerWaalsContact O-CB 3.25Å; L49-R52 WeakPolarHBondContact O-CB 3.17Å; L49-R52 PolarHBondContact O-N 3.36Å; L49-V54 HydrophobicContact CD1-CG2 3.64Å; L49-F88 HydrophobicContact CD1-CD1 3.81Å; L49-F88 HydrophobicContact CD1-CE1 4.16Å; L49-F88 HydrophobicContact CD2-CD1 3.47Å; L49-F88 VanDerWaalsContact CD2-CD1 3.47Å; L49-F88 HydrophobicContact CD2-CD2 4.25Å; L49-F88 HydrophobicContact CD2-CE1 3.28Å; L49-F88 HydrophobicContact CD2-CE2 4.09Å; L49-F88 HydrophobicContact CD2-CG 3.95Å; L49-F88 HydrophobicContact CD2-CZ 3.6Å; L49-F88 HydrophobicContact CG-CD1 3.9Å; L49-F88 HydrophobicContact CG-CE1 3.74Å; L49-F88 HydrophobicContact CG-CZ 4.47Å
50K87.2Confident91.7Very high170 Ų17038.4 Ų38.474%0.73919%0.185SC*.THydrogen-bonded Turntrans43.6-118.3179.9-59.9-173.2179.4-175.60112.1E47 Y48E47-K50 WeakPolarHBondContact O-CE 3.32Å; E47-K50 WeakPolarHBondContact O-CG 3.35Å; Y48-K50 PolarHBondContact O-N 3.12Å
51D85.6Confident91.5Very high106 Ų10638.4 Ų38.457%0.56719%0.185SC*.THydrogen-bonded Turntrans-92.77178.864.4-43.5000113.8L49 K153L49-D51 PolarHBondContact O-N 3.35Å; L49-D51 VanDerWaalsContact O-N 3.16Å; D51-K153 VanDerWaalsContact OD2-CE 3.3Å; D51-K153 WeakPolarHBondContact OD2-CE 3.42Å; D51-K153 IonicContact OD2-NZ 2.81Å; D51-K153 PolarHBondContact OD2-NZ 3.05Å
52R89.9Confident91.1Very high56 Ų5638.4 Ų38.421%0.21119%0.185CC..  trans-91.4157-176.7-60.8-178.7-83.6-168.8-6.1111.8Y48 L49 K153Y48-R52 VanDerWaalsContact CZ-NH2 3.28Å; Y48-R52 PolarHBondContact O-NE 2.81Å; Y48-R52 PolarHBondContact O-NH2 2.87Å; Y48-R52 PolarHBondContact OH-NH1 2.98Å; L49-R52 VanDerWaalsContact CD1-O 3.27Å; L49-R52 WeakPolarHBondContact CD1-O 3.31Å; L49-R52 WeakPolarHBondContact O-CA 3.44Å; L49-R52 VanDerWaalsContact O-CB 3.25Å; L49-R52 WeakPolarHBondContact O-CB 3.17Å; L49-R52 PolarHBondContact O-N 3.36Å; R52-K153 HydrophobicContact CG-CG 4.17Å
53K92.3Very high90.4Very high76 Ų7640.1 Ų40.133%0.3319%0.192SC..EExtended strand (participates in β ladder)trans-103.7160.4174.1-57.4-177.4177.3-177.50110F55 F88 C151 A152K53-F55 HydrophobicContact CB-CD2 4.35Å; K53-F55 HydrophobicContact CB-CE2 3.62Å; K53-F55 HydrophobicContact CB-CZ 3.76Å; K53-F55 HydrophobicContact CD-CE2 4.32Å; K53-F55 HydrophobicContact CD-CZ 3.75Å; K53-F55 HydrophobicContact CG-CZ 4.41Å; K53-F88 CarbonylContact C-O 3.35Å; K53-F88 VanDerWaalsContact CA-O 3.28Å; K53-F88 WeakPolarHBondContact CA-O 3.46Å; K53-F88 WeakPolarHBondContact CB-O 3.4Å; K53-C151 CarbonylContact O-C 3.57Å; K53-C151 VanDerWaalsContact O-CA 3.26Å; K53-C151 WeakPolarHBondContact O-CA 3.37Å; K53-A152 WeakPolarHBondContact CA-O 3.18Å; K53-A152 WeakPolarHBondContact CB-O 3.41Å; K53-A152 PolarHBondContact N-O 3.03Å; K53-A152 PolarHBondContact O-N 2.65Å
54V93Very high89.5Confident0 Ų043.1 Ų43.10%020%0.201CC..EExtended strand (participates in β ladder)trans-116.1120.3174.9-177.40000108.8L19 I42 V44 L49 A87 F88 F150L19-V54 HydrophobicContact CD1-CG1 4.04Å; I42-V54 HydrophobicContact CD1-CG1 3.87Å; I42-V54 HydrophobicContact CG2-CG1 4.29Å; V44-V54 HydrophobicContact CG1-CG2 4.12Å; V44-V54 HydrophobicContact CG2-CG1 4.4Å; V44-V54 HydrophobicContact CG2-CG2 3.89Å; L49-V54 HydrophobicContact CD1-CG2 3.64Å; V54-A87 HydrophobicContact CG1-CB 4.34Å; V54-A87 PolarHBondContact O-N 3.03Å; V54-F88 HydrophobicContact CB-CB 4Å; V54-F88 HydrophobicContact CG2-CB 4.12Å; V54-F88 PolarHBondContact N-O 2.89Å; V54-F88 PolarHBondContact O-N 2.97Å; V54-F150 WeakPolarHBondContact CA-O 3.37Å
55F94.3Very high87.9Confident10 Ų1044 Ų444%0.04421%0.21CC..EExtended strand (participates in β ladder)trans-113.2147.3177.5-60-77.5000109.9K53 T84 F85 Q86 A149 F150 A152 I155K53-F55 HydrophobicContact CB-CD2 4.35Å; K53-F55 HydrophobicContact CB-CE2 3.62Å; K53-F55 HydrophobicContact CB-CZ 3.76Å; K53-F55 HydrophobicContact CD-CE2 4.32Å; K53-F55 HydrophobicContact CD-CZ 3.75Å; K53-F55 HydrophobicContact CG-CZ 4.41Å; F55-T84 HydrophobicContact CB-CG2 4.33Å; F55-T84 HydrophobicContact CD1-CG2 4.25Å; F55-F85 WeakPolarHBondContact CA-O 3.26Å; F55-Q86 HydrophobicContact CD1-CB 4.03Å; F55-Q86 HydrophobicContact CD1-CG 4.02Å; F55-Q86 HydrophobicContact CE1-CB 3.99Å; F55-Q86 HydrophobicContact CE1-CG 3.71Å; F55-Q86 HydrophobicContact CZ-CG 4.5Å; F55-A149 CarbonylContact O-C 3.48Å; F55-A149 WeakPolarHBondContact O-CA 3.33Å; F55-F150 HydrophobicContact CB-CD2 4.39Å; F55-F150 HydrophobicContact CB-CE1 4.01Å; F55-F150 HydrophobicContact CB-CE2 3.85Å; F55-F150 HydrophobicContact CB-CZ 3.64Å; F55-F150 HydrophobicContact CD2-CD2 4.42Å; F55-F150 AromaticContact CD2-CE2 3.82Å; F55-F150 HydrophobicContact CD2-CE2 3.82Å; F55-F150 HydrophobicContact CD2-CZ 4.35Å; F55-F150 HydrophobicContact CG-CE2 4.21Å; F55-F150 HydrophobicContact CG-CZ 4.3Å; F55-F150 PolarHBondContact N-O 3.2Å; F55-F150 PolarHBondContact O-N 2.98Å; F55-A152 HydrophobicContact CD2-CB 4.39Å; F55-A152 HydrophobicContact CE2-CB 4.43Å; F55-I155 HydrophobicContact CZ-CB 4.48Å
56V95.1Very high86Confident0 Ų047 Ų470%022%0.219CC..EExtended strand (participates in β ladder)trans-121.1135.5166.2-1670000107.9I42 T84 F85 A87 F116 F118 I147 R148 A149I42-V56 HydrophobicContact CD1-CG2 3.1Å; I42-V56 HydrophobicContact CG1-CG2 4.16Å; V56-T84 CarbonylContact O-C 3.59Å; V56-T84 WeakPolarHBondContact O-CA 3.42Å; V56-F85 PolarHBondContact N-O 2.82Å; V56-F85 PolarHBondContact O-N 2.85Å; V56-A87 HydrophobicContact CG2-CB 4.43Å; V56-F116 HydrophobicContact CB-CD2 4.46Å; V56-F116 HydrophobicContact CG1-CD2 4.09Å; V56-F116 HydrophobicContact CG1-CE2 4.11Å; V56-F116 HydrophobicContact CG2-CB 4.29Å; V56-F116 HydrophobicContact CG2-CD1 4.26Å; V56-F116 HydrophobicContact CG2-CD2 4.43Å; V56-F116 HydrophobicContact CG2-CG 4.07Å; V56-F118 HydrophobicContact CB-CE2 4.06Å; V56-F118 HydrophobicContact CB-CZ 3.93Å; V56-F118 HydrophobicContact CG1-CE2 3.59Å; V56-F118 HydrophobicContact CG1-CZ 3.87Å; V56-F118 WeakPolarHBondContact O-CZ 3.36Å; V56-I147 HydrophobicContact CG1-CG2 3.61Å; V56-R148 CarbonylContact C-O 3.46Å; V56-R148 WeakPolarHBondContact CA-O 3.49Å; V56-A149 HydrophobicContact CG2-CB 4.2Å
57T94.8Very high84.1Confident15 Ų1548.8 Ų48.89%0.09222%0.222CC..EExtended strand (participates in β ladder)trans-119.2132.5173.659.50000109.6S83 T84 I147 R148 F150T57-S83 CarbonylContact C-O 3.52Å; T57-S83 VanDerWaalsContact CA-O 3.25Å; T57-S83 WeakPolarHBondContact CA-O 3.41Å; T57-T84 HydrophobicContact CG2-CG2 3.79Å; T57-I147 CarbonylContact O-C 3.59Å; T57-I147 WeakPolarHBondContact O-CA 3.4Å; T57-R148 PolarHBondContact N-O 3.48Å; T57-R148 PolarHBondContact O-N 2.97Å; T57-R148 WeakPolarHBondContact OG1-CB 3.39Å; T57-R148 PolarHBondContact OG1-O 3.45Å; T57-F150 HydrophobicContact CG2-CE1 3.8Å; T57-F150 HydrophobicContact CG2-CZ 4.31Å
58L95.6Very high81.9Confident0 Ų046.3 Ų46.30%021%0.214CC..EExtended strand (participates in β ladder)trans-100.4117.4164.8176.364.5000108.5Y81 I82 S83 F118 I120 F145 E146 I147 I169L58-Y81 HydrophobicContact CD2-CE1 4.32Å; L58-I82 WeakPolarHBondContact O-CA 3.49Å; L58-S83 PolarHBondContact N-O 2.94Å; L58-S83 PolarHBondContact O-N 2.81Å; L58-F118 HydrophobicContact CB-CB 4.38Å; L58-F118 HydrophobicContact CB-CD1 3.71Å; L58-F118 HydrophobicContact CB-CD2 3.91Å; L58-F118 HydrophobicContact CB-CE1 3.87Å; L58-F118 HydrophobicContact CB-CE2 4.06Å; L58-F118 HydrophobicContact CB-CG 3.73Å; L58-F118 HydrophobicContact CB-CZ 4.04Å; L58-F118 HydrophobicContact CD2-CB 3.56Å; L58-F118 HydrophobicContact CD2-CD1 4.29Å; L58-F118 HydrophobicContact CD2-CD2 4.44Å; L58-F118 HydrophobicContact CD2-CG 3.87Å; L58-F118 HydrophobicContact CG-CG 4.44Å; L58-I120 HydrophobicContact CD2-CG1 3.85Å; L58-F145 HydrophobicContact CD1-CD1 4.48Å; L58-E146 WeakPolarHBondContact CA-O 3.49Å; L58-I147 HydrophobicContact CD1-CG1 3.89Å; L58-I169 HydrophobicContact CD1-CD1 4.06Å
59T93.4Very high79.8Confident9 Ų949.7 Ų49.76%0.05523%0.234CC..EExtended strand (participates in β ladder)trans-119.3123.5-179.7-56.10000110.1A61 D79 Y81 I82 F145 E146T59-A61 HydrophobicContact CG2-CB 4.26Å; T59-D79 HydrophobicContact CG2-CB 4.31Å; T59-D79 WeakPolarHBondContact CG2-OD1 3.46Å; T59-Y81 CarbonylContact C-O 3.51Å; T59-Y81 WeakPolarHBondContact CA-O 3.14Å; T59-I82 HydrophobicContact CG2-CG1 4.11Å; T59-F145 CarbonylContact O-C 3.59Å; T59-F145 WeakPolarHBondContact O-CA 3.29Å; T59-E146 PolarHBondContact N-O 3.09Å; T59-E146 PolarHBondContact O-N 2.93Å
60C92.7Very high78Confident0 Ų055.6 Ų55.60%027%0.266CS..EExtended strand (participates in β ladder)trans-96.4118.7163.1-1780000107.6D79 L80 Y81 L124 D144 F145C60-D79 CarbonylContact O-C 3.5Å; C60-L80 HydrophobicContact CB-CB 4.46Å; C60-L80 PolarHBondContact O-N 3.41Å; C60-Y81 PolarHBondContact N-O 3.26Å; C60-Y81 PolarHBondContact O-N 3.46Å; C60-Y81 VanDerWaalsContact O-N 3.17Å; C60-L124 HydrophobicContact CB-CD1 4.19Å; C60-D144 WeakPolarHBondContact CA-O 3.44Å; C60-F145 HydrophobicContact CB-CD1 3.95Å; C60-F145 HydrophobicContact CB-CE1 3.7Å; C60-F145 HydrophobicContact CB-CZ 4.06Å; C60-F145 VanDerWaalsContact SG-CZ 3.53Å
61A89.3Confident75.9Confident2 Ų254.2 Ų54.22%0.01727%0.271CS..EExtended strand (participates in β ladder)trans-127.3134.6-178.600000111T59 R77 K78 D79 D144T59-A61 HydrophobicContact CG2-CB 4.26Å; A61-R77 HydrophobicContact CB-CG 4.23Å; A61-K78 WeakPolarHBondContact CA-O 3.44Å; A61-D79 WeakPolarHBondContact CB-OD1 3.35Å; A61-D144 PolarHBondContact N-O 3.38Å; A61-D144 PolarHBondContact O-N 3.31Å
62F87.3Confident74.2Confident0 Ų056.8 Ų56.80%028%0.284CS..EExtended strand (participates in β ladder)trans-88.7127.2164.5-175.2-89.1000109.2Y64 R77 K78 L80 G142 V143 I242 L244 I318F62-Y64 HydrophobicContact CE1-CD2 4.39Å; F62-Y64 HydrophobicContact CE1-CG 4.47Å; F62-R77 WeakPolarHBondContact O-CA 3.43Å; F62-K78 PolarHBondContact N-O 2.91Å; F62-K78 PolarHBondContact O-N 3.05Å; F62-L80 HydrophobicContact CB-CD1 4.16Å; F62-L80 HydrophobicContact CB-CD2 4.43Å; F62-L80 HydrophobicContact CB-CG 4.24Å; F62-G142 WeakPolarHBondContact CA-O 3.42Å; F62-V143 HydrophobicContact CD2-CG2 3.81Å; F62-I242 HydrophobicContact CE2-CG2 4.39Å; F62-I242 HydrophobicContact CZ-CG2 3.77Å; F62-L244 HydrophobicContact CB-CD2 3.58Å; F62-L244 HydrophobicContact CD1-CB 4.49Å; F62-L244 HydrophobicContact CD1-CD2 3.31Å; F62-L244 HydrophobicContact CD1-CG 4.49Å; F62-L244 HydrophobicContact CD2-CD2 4.06Å; F62-L244 HydrophobicContact CE1-CB 4.3Å; F62-L244 HydrophobicContact CE1-CD2 3.9Å; F62-L244 HydrophobicContact CE2-CB 4.48Å; F62-L244 HydrophobicContact CG-CD2 3.38Å; F62-L244 HydrophobicContact CZ-CB 4.33Å; F62-I318 HydrophobicContact CE2-CD1 4.17Å; F62-I318 HydrophobicContact CE2-CG1 3.72Å
63R82.1Confident72.3Confident36 Ų3655.8 Ų55.814%0.13629%0.291CS..EExtended strand (participates in β ladder)trans-116135.7179.5-63178.2-177.9-159.7-1.5109.5F76 R77 C141 G142 D144 E146R63-F76 CarbonylContact C-O 3.49Å; R63-F76 WeakPolarHBondContact CA-O 3.34Å; R63-R77 HydrophobicContact CG-CG 4.49Å; R63-C141 CarbonylContact O-C 3.6Å; R63-C141 VanDerWaalsContact O-CA 3.26Å; R63-C141 WeakPolarHBondContact O-CA 3.45Å; R63-C141 PolarHBondContact O-SG 3.26Å; R63-G142 PolarHBondContact N-O 2.73Å; R63-G142 PolarHBondContact O-N 2.62Å; R63-D144 IonicContact CZ-OD2 2.81Å; R63-D144 IonicContact NE-OD2 3.7Å; R63-E146 IonicContact NH2-OE2 3.76Å; R63-E146 PolarHBondContact NH2-OE2 3.36Å; R63-E146 VanDerWaalsContact NH2-OE2 3.17Å
64Y74.4Confident70.4Confident109 Ų10959.1 Ų59.143%0.42731%0.312SS..EExtended strand (participates in β ladder)trans-147.7122.1178.9-178-86000109.1F62 F76 C141F62-Y64 HydrophobicContact CE1-CD2 4.39Å; F62-Y64 HydrophobicContact CE1-CG 4.47Å; Y64-F76 PolarHBondContact N-O 3.24Å; Y64-F76 VanDerWaalsContact O-CA 3.31Å; Y64-F76 WeakPolarHBondContact O-CA 3.42Å; Y64-F76 VanDerWaalsContact O-CB 3.28Å; Y64-F76 WeakPolarHBondContact O-CB 3.26Å; Y64-F76 PolarHBondContact O-N 2.72Å; Y64-F76 VanDerWaalsContact O-O 3.12Å; Y64-C141 HydrophobicContact CD2-CB 4.47Å
65G60.2Low68.6Low22 Ų2263.5 Ų63.523%0.22734%0.342CS..  trans153.1147169.500000115.4
66R53.4Low67.3Low103 Ų10366.4 Ų66.439%0.38936%0.355SS..  trans-89.9130.3171.4-160.8178.7179.3176.2-3.2107.4D68 E135 T137R66-D68 VanDerWaalsContact C-N 3.26Å; R66-D68 PolarHBondContact O-N 2.94Å; R66-E135 PolarHBondContact NE-O 3.44Å; R66-E135 PolarHBondContact NH2-O 3.06Å; R66-T137 CarbonylContact C-O 3.55Å; R66-T137 WeakPolarHBondContact CA-O 3.3Å; R66-T137 WeakPolarHBondContact CG-O 3.43Å
67E46.9Very low66.7Low98 Ų9871.8 Ų71.846%0.45838%0.376SS..THydrogen-bonded Turntrans-75.7-13.6-175.3-76.8-177.2178.600112.5T137 K139E67-T137 PolarHBondContact N-O 3.38Å; E67-K139 IonicContact OE1-NZ 3.69Å; E67-K139 PolarHBondContact OE1-NZ 2.77Å
68D42.7Very low66.2Low100 Ų10074.8 Ų74.854%0.53539%0.387SS..THydrogen-bonded Turntrans-105.21.5-162.3-59.419.8000116.2R66 D70 T137R66-D68 VanDerWaalsContact C-N 3.26Å; R66-D68 PolarHBondContact O-N 2.94Å; D68-D70 VanDerWaalsContact C-N 3.34Å; D68-D70 PolarHBondContact O-N 3.5Å; D68-T137 WeakPolarHBondContact CB-OG1 3.43Å; D68-T137 PolarHBondContact OD1-OG1 2.81Å; D68-T137 WeakPolarHBondContact OD2-CB 3.35Å; D68-T137 VanDerWaalsContact OD2-CG2 3.32Å; D68-T137 WeakPolarHBondContact OD2-CG2 3.33Å; D68-T137 PolarHBondContact OD2-OG1 2.87Å
69L43.3Very low65.9Low117 Ų11777.9 Ų77.961%0.61340%0.404SS*.  trans-95.859.3178-83.7163.4000111.8V71 G73L69-V71 VanDerWaalsContact C-N 3.25Å; L69-V71 PolarHBondContact O-N 2.8Å; L69-G73 PolarHBondContact O-N 2.83Å
70D43.8Very low65.6Low138 Ų13879 Ų7974%0.73841%0.41SS*.THydrogen-bonded Turntrans-79.873.7171-102.6-5.6000111.4D68 G73D68-D70 VanDerWaalsContact C-N 3.34Å; D68-D70 PolarHBondContact O-N 3.5Å; D70-G73 WeakPolarHBondContact OD1-CA 3.33Å
71V43.3Very low65.6Low142 Ų14281.8 Ų81.886%0.86142%0.42SS*.THydrogen-bonded Turntrans-119.2-18.6138.2-172.80000110.1L69L69-V71 VanDerWaalsContact C-N 3.25Å; L69-V71 PolarHBondContact O-N 2.8Å
72L50.9Low65.7Low160 Ų16086.1 Ų86.184%0.83844%0.442SS*.THydrogen-bonded Turntrans-144.50.1171.2-76.8171.6000116L74L72-L74 PolarHBondContact O-N 3.16Å; L72-L74 VanDerWaalsContact O-N 3.1Å
73G49.1Very low66Low35 Ų3587.6 Ų87.636%0.36145%0.453SS..  trans56.731.8150.100000120.4L69 D70 S75L69-G73 PolarHBondContact O-N 2.83Å; D70-G73 WeakPolarHBondContact OD1-CA 3.33Å; G73-S75 PolarHBondContact O-N 2.65Å
74L52.1Low66.6Low145 Ų14588.1 Ų88.176%0.75946%0.46SS*.  trans-82.775.1-177.6-62175.9000112.5L72 F76L72-L74 PolarHBondContact O-N 3.16Å; L72-L74 VanDerWaalsContact O-N 3.1Å; L74-F76 PolarHBondContact O-N 2.97Å
75S55.9Low67.5Low92 Ų9284 Ų8464%0.64344%0.444SS*.  trans-68112.3153.3630000107.6G73G73-S75 PolarHBondContact O-N 2.65Å
76F67.5Low69.1Low71 Ų7184.6 Ų84.631%0.31144%0.441SS..EExtended strand (participates in β ladder)trans-104.7122-171.8-171.1-84000110.2R63 Y64 L74 K78 F245R63-F76 CarbonylContact C-O 3.49Å; R63-F76 WeakPolarHBondContact CA-O 3.34Å; Y64-F76 PolarHBondContact N-O 3.24Å; Y64-F76 VanDerWaalsContact O-CA 3.31Å; Y64-F76 WeakPolarHBondContact O-CA 3.42Å; Y64-F76 VanDerWaalsContact O-CB 3.28Å; Y64-F76 WeakPolarHBondContact O-CB 3.26Å; Y64-F76 PolarHBondContact O-N 2.72Å; Y64-F76 VanDerWaalsContact O-O 3.12Å; L74-F76 PolarHBondContact O-N 2.97Å; F76-K78 HydrophobicContact CE1-CB 3.47Å; F76-K78 VanDerWaalsContact CE1-CB 3.47Å; F76-K78 HydrophobicContact CZ-CB 3.86Å; F76-F245 HydrophobicContact CD1-CD2 4.1Å; F76-F245 AromaticContact CD1-CE2 3.84Å; F76-F245 HydrophobicContact CD1-CE2 3.84Å; F76-F245 HydrophobicContact CD1-CZ 4.38Å; F76-F245 AromaticContact CE1-CD2 3.65Å; F76-F245 HydrophobicContact CE1-CD2 3.65Å; F76-F245 HydrophobicContact CE1-CE1 4.18Å; F76-F245 AromaticContact CE1-CE2 2.95Å; F76-F245 HydrophobicContact CE1-CE2 2.95Å; F76-F245 HydrophobicContact CE1-CG 4.5Å; F76-F245 AromaticContact CE1-CZ 3.28Å; F76-F245 HydrophobicContact CE1-CZ 3.28Å; F76-F245 HydrophobicContact CE2-CE1 4.14Å; F76-F245 HydrophobicContact CE2-CE2 4.34Å; F76-F245 AromaticContact CE2-CZ 3.93Å; F76-F245 HydrophobicContact CE2-CZ 3.93Å; F76-F245 HydrophobicContact CZ-CD1 4.41Å; F76-F245 HydrophobicContact CZ-CD2 4.11Å; F76-F245 AromaticContact CZ-CE1 3.63Å; F76-F245 HydrophobicContact CZ-CE1 3.63Å; F76-F245 AromaticContact CZ-CE2 3.29Å; F76-F245 HydrophobicContact CZ-CE2 3.29Å; F76-F245 AromaticContact CZ-CZ 2.99Å; F76-F245 HydrophobicContact CZ-CZ 2.99Å
77R81.6Confident70.9Confident114 Ų11480 Ų8043%0.4343%0.425SS..EExtended strand (participates in β ladder)trans-127.7119.9173.2177.6-177.8167.1169.3-1.2108.4A61 F62 R63 D79A61-R77 HydrophobicContact CB-CG 4.23Å; F62-R77 WeakPolarHBondContact O-CA 3.43Å; R63-R77 HydrophobicContact CG-CG 4.49Å; R77-D79 IonicContact CZ-OD1 3.93Å; R77-D79 IonicContact NE-OD1 3.18Å; R77-D79 PolarHBondContact NE-OD1 3.09Å; R77-D79 IonicContact NH2-OD1 2.62Å; R77-D79 PolarHBondContact NH2-OD1 2.95Å; R77-D79 IonicContact NH2-OD2 3.23Å
78K85.3Confident73Confident77 Ų7778 Ų7834%0.33542%0.415SS..EExtended strand (participates in β ladder)trans-112.5119.4168170.1161168.3-177.40108.9A61 F62 F76 L80 L244 F245A61-K78 WeakPolarHBondContact CA-O 3.44Å; F62-K78 PolarHBondContact N-O 2.91Å; F62-K78 PolarHBondContact O-N 3.05Å; F76-K78 HydrophobicContact CE1-CB 3.47Å; F76-K78 VanDerWaalsContact CE1-CB 3.47Å; F76-K78 HydrophobicContact CZ-CB 3.86Å; K78-L80 HydrophobicContact CG-CD2 4.18Å; K78-L80 PolarHBondContact O-N 3.48Å; K78-L244 HydrophobicContact CB-CD2 4.32Å; K78-L244 HydrophobicContact CD-CD1 4.29Å; K78-L244 HydrophobicContact CD-CD2 4.18Å; K78-F245 HydrophobicContact CB-CE2 4.02Å; K78-F245 HydrophobicContact CB-CZ 4.18Å; K78-F245 HydrophobicContact CD-CE2 3.67Å; K78-F245 HydrophobicContact CD-CZ 3.4Å; K78-F245 VanDerWaalsContact CD-CZ 3.4Å; K78-F245 HydrophobicContact CG-CZ 4.44Å
79D88Confident75.2Confident66 Ų6675.8 Ų75.835%0.35341%0.406SS..EExtended strand (participates in β ladder)trans-73.9113.5169.7-61.4-35.6000107.6T59 C60 A61 R77 I82T59-D79 HydrophobicContact CG2-CB 4.31Å; T59-D79 WeakPolarHBondContact CG2-OD1 3.46Å; C60-D79 CarbonylContact O-C 3.5Å; A61-D79 WeakPolarHBondContact CB-OD1 3.35Å; R77-D79 IonicContact CZ-OD1 3.93Å; R77-D79 IonicContact NE-OD1 3.18Å; R77-D79 PolarHBondContact NE-OD1 3.09Å; R77-D79 IonicContact NH2-OD1 2.62Å; R77-D79 PolarHBondContact NH2-OD1 2.95Å; R77-D79 IonicContact NH2-OD2 3.23Å; D79-I82 HydrophobicContact CB-CD1 3.77Å; D79-I82 HydrophobicContact CB-CG1 3.87Å
80L88.2Confident77.3Confident33 Ų3373.8 Ų73.817%0.17340%0.4CS..EExtended strand (participates in β ladder)trans-79-29.2177.1-60.3177.9000111C60 F62 K78 P125 L244C60-L80 HydrophobicContact CB-CB 4.46Å; C60-L80 PolarHBondContact O-N 3.41Å; F62-L80 HydrophobicContact CB-CD1 4.16Å; F62-L80 HydrophobicContact CB-CD2 4.43Å; F62-L80 HydrophobicContact CB-CG 4.24Å; K78-L80 HydrophobicContact CG-CD2 4.18Å; K78-L80 PolarHBondContact O-N 3.48Å; L80-P125 HydrophobicContact CD1-CG 3.65Å; L80-L244 HydrophobicContact CD2-CD1 4.17Å; L80-L244 HydrophobicContact CD2-CD2 4.3Å
81Y91.4Very high79.3Confident58 Ų5869.2 Ų69.223%0.22738%0.377CS..EExtended strand (participates in β ladder)trans-154.7139.5179178.9-107.1000110.6L58 T59 C60 S83 P121 L124L58-Y81 HydrophobicContact CD2-CE1 4.32Å; T59-Y81 CarbonylContact C-O 3.51Å; T59-Y81 WeakPolarHBondContact CA-O 3.14Å; C60-Y81 PolarHBondContact N-O 3.26Å; C60-Y81 PolarHBondContact O-N 3.46Å; C60-Y81 VanDerWaalsContact O-N 3.17Å; Y81-S83 WeakPolarHBondContact OH-CB 3.48Å; Y81-P121 HydrophobicContact CD2-CG 4.02Å; Y81-P121 HydrophobicContact CE1-CG 4.42Å; Y81-P121 HydrophobicContact CE2-CG 3.52Å; Y81-L124 HydrophobicContact CD1-CD1 3.8Å; Y81-L124 HydrophobicContact CD2-CD1 4.29Å; Y81-L124 HydrophobicContact CG-CD1 3.64Å; Y81-L124 HydrophobicContact CG-CD2 4.45Å
82I92.9Very high80.8Confident92 Ų9267.4 Ų67.447%0.47237%0.368SS..EExtended strand (participates in β ladder)trans-136.6128.9170.9-55.9176.9000107.3L58 T59 D79L58-I82 WeakPolarHBondContact O-CA 3.49Å; T59-I82 HydrophobicContact CG2-CG1 4.11Å; D79-I82 HydrophobicContact CB-CD1 3.77Å; D79-I82 HydrophobicContact CB-CG1 3.87Å
83S93.8Very high81.9Confident32 Ų3268.9 Ų68.922%0.22437%0.371CS..EExtended strand (participates in β ladder)trans-130.1134.9169.5178.10000108.7T57 L58 Y81 F118T57-S83 CarbonylContact C-O 3.52Å; T57-S83 VanDerWaalsContact CA-O 3.25Å; T57-S83 WeakPolarHBondContact CA-O 3.41Å; L58-S83 PolarHBondContact N-O 2.94Å; L58-S83 PolarHBondContact O-N 2.81Å; Y81-S83 WeakPolarHBondContact OH-CB 3.48Å; S83-F118 WeakPolarHBondContact O-CE1 3.46Å
84T93.7Very high82.8Confident47 Ų4770.3 Ų70.329%0.28837%0.368SS..EExtended strand (participates in β ladder)trans-117137.9179.1-50.80000109.4F55 V56 T57 I155F55-T84 HydrophobicContact CB-CG2 4.33Å; F55-T84 HydrophobicContact CD1-CG2 4.25Å; V56-T84 CarbonylContact O-C 3.59Å; V56-T84 WeakPolarHBondContact O-CA 3.42Å; T57-T84 HydrophobicContact CG2-CG2 3.79Å; T84-I155 HydrophobicContact CG2-CD1 3.49Å; T84-I155 VanDerWaalsContact CG2-CD1 3.49Å; T84-I155 HydrophobicContact CG2-CG1 4.21Å
85F93.1Very high83.6Confident22 Ų2270.8 Ų70.810%0.09636%0.364CS..EExtended strand (participates in β ladder)trans-126.1133.5178.2-176.5-90.9000109.4F55 V56 A87 E94 P115 F116 Y117 F118F55-F85 WeakPolarHBondContact CA-O 3.26Å; V56-F85 PolarHBondContact N-O 2.82Å; V56-F85 PolarHBondContact O-N 2.85Å; F85-A87 HydrophobicContact CD1-CB 4.27Å; F85-A87 HydrophobicContact CE1-CB 4.27Å; F85-A87 PolarHBondContact O-N 2.8Å; F85-E94 HydrophobicContact CE2-CB 3.99Å; F85-P115 WeakPolarHBondContact CE1-O 3.35Å; F85-F116 HydrophobicContact CD1-CB 3.46Å; F85-F116 VanDerWaalsContact CD1-CB 3.46Å; F85-F116 HydrophobicContact CE1-CB 3.61Å; F85-F116 HydrophobicContact CG-CB 4.25Å; F85-Y117 HydrophobicContact CE2-CD1 4.04Å; F85-Y117 AromaticContact CE2-CE1 3.6Å; F85-Y117 HydrophobicContact CE2-CE1 3.6Å; F85-Y117 AromaticContact CE2-CZ 3.92Å; F85-Y117 HydrophobicContact CZ-CD1 4.3Å; F85-Y117 HydrophobicContact CZ-CE1 4.07Å; F85-F118 HydrophobicContact CB-CE1 3.81Å; F85-F118 HydrophobicContact CB-CZ 3.72Å
86Q93.4Very high84.7Confident35 Ų3572.2 Ų72.216%0.16436%0.358CS..EExtended strand (participates in β ladder)trans-94.697.9176.8-171.2-177.9-73.800110.1F55 P89 V91F55-Q86 HydrophobicContact CD1-CB 4.03Å; F55-Q86 HydrophobicContact CD1-CG 4.02Å; F55-Q86 HydrophobicContact CE1-CB 3.99Å; F55-Q86 HydrophobicContact CE1-CG 3.71Å; F55-Q86 HydrophobicContact CZ-CG 4.5Å; Q86-P89 PolarHBondContact NE2-O 2.87Å; Q86-V91 HydrophobicContact CB-CG2 4.02Å; Q86-V91 HydrophobicContact CG-CG2 4.31Å
87A91.8Very high85.5Confident5 Ų573.6 Ų73.64%0.04138%0.383CS..EExtended strand (participates in β ladder)trans-72.2-33.4-179.800000112.9I42 V54 V56 F85 H114I42-A87 HydrophobicContact CD1-CB 3.5Å; V54-A87 HydrophobicContact CG1-CB 4.34Å; V54-A87 PolarHBondContact O-N 3.03Å; V56-A87 HydrophobicContact CG2-CB 4.43Å; F85-A87 HydrophobicContact CD1-CB 4.27Å; F85-A87 HydrophobicContact CE1-CB 4.27Å; F85-A87 PolarHBondContact O-N 2.8Å; A87-H114 HydrophobicContact CB-CB 4.32Å
88F91.3Very high85.8Confident58 Ų5871.1 Ų71.125%0.25438%0.379SS..EExtended strand (participates in β ladder)trans-145.4137.4174.8-175.3-86.8000112L49 K53 V54 H114L49-F88 HydrophobicContact CD1-CD1 3.81Å; L49-F88 HydrophobicContact CD1-CE1 4.16Å; L49-F88 HydrophobicContact CD2-CD1 3.47Å; L49-F88 VanDerWaalsContact CD2-CD1 3.47Å; L49-F88 HydrophobicContact CD2-CD2 4.25Å; L49-F88 HydrophobicContact CD2-CE1 3.28Å; L49-F88 HydrophobicContact CD2-CE2 4.09Å; L49-F88 HydrophobicContact CD2-CG 3.95Å; L49-F88 HydrophobicContact CD2-CZ 3.6Å; L49-F88 HydrophobicContact CG-CD1 3.9Å; L49-F88 HydrophobicContact CG-CE1 3.74Å; L49-F88 HydrophobicContact CG-CZ 4.47Å; K53-F88 CarbonylContact C-O 3.35Å; K53-F88 VanDerWaalsContact CA-O 3.28Å; K53-F88 WeakPolarHBondContact CA-O 3.46Å; K53-F88 WeakPolarHBondContact CB-O 3.4Å; V54-F88 HydrophobicContact CB-CB 4Å; V54-F88 HydrophobicContact CG2-CB 4.12Å; V54-F88 PolarHBondContact N-O 2.89Å; V54-F88 PolarHBondContact O-N 2.97Å; F88-H114 AromaticContact CD2-CE1 3.52Å; F88-H114 AromaticContact CD2-NE2 3.41Å; F88-H114 WeakPolarHBondContact CD2-NE2 3.39Å
89P89.6Confident86Confident53 Ų5368.9 Ų68.934%0.34437%0.372SS..THydrogen-bonded Turncis-65.8149.8-11.528-33.8000110.9Q86 V91Q86-P89 PolarHBondContact NE2-O 2.87Å; P89-V91 PolarHBondContact O-N 3.05Å
90P85.7Confident86.1Confident75 Ų7575.6 Ų75.649%0.48739%0.393SS..THydrogen-bonded Turntrans-66.3126.2-176.125.6-33000111.1
91V85.9Confident86.2Confident41 Ų4175.7 Ų75.725%0.24839%0.393CS..PPolyproline II helixtrans-84.4128.6178.1-173.20000109.3Q86 P89 E93 E94Q86-V91 HydrophobicContact CB-CG2 4.02Å; Q86-V91 HydrophobicContact CG-CG2 4.31Å; P89-V91 PolarHBondContact O-N 3.05Å; V91-E93 VanDerWaalsContact C-N 3.31Å; V91-E93 PolarHBondContact O-N 2.72Å; V91-E94 HydrophobicContact CB-CB 4.38Å; V91-E94 HydrophobicContact CB-CG 4.29Å; V91-E94 HydrophobicContact CG1-CG 4.48Å; V91-E94 PolarHBondContact O-N 3.35Å
92P76.6Confident86.3Confident105 Ų10573 Ų7368%0.68238%0.383SS*.G310 helixtrans-59.4-36.9-176.7-25.834.4000114.5E94 K95P92-E94 VanDerWaalsContact C-N 3.27Å; P92-E94 PolarHBondContact O-N 2.64Å; P92-K95 PolarHBondContact O-N 2.82Å
93E72.1Confident86.2Confident190 Ų19073.2 Ų73.289%0.88838%0.382SS*.G310 helixtrans-70.4-21.8-178.6-65.5176.3177.600113.1V91V91-E93 VanDerWaalsContact C-N 3.31Å; V91-E93 PolarHBondContact O-N 2.72Å
94E68.8Low86.1Confident65 Ų6574.8 Ų74.830%0.30438%0.383SS..G310 helixtrans-98.110.6-179.3-60.9-172.2160.900112.7F85 V91 P92 K96 Y117F85-E94 HydrophobicContact CE2-CB 3.99Å; V91-E94 HydrophobicContact CB-CB 4.38Å; V91-E94 HydrophobicContact CB-CG 4.29Å; V91-E94 HydrophobicContact CG1-CG 4.48Å; V91-E94 PolarHBondContact O-N 3.35Å; P92-E94 VanDerWaalsContact C-N 3.27Å; P92-E94 PolarHBondContact O-N 2.64Å; E94-K96 PolarHBondContact O-N 2.66Å; E94-K96 VanDerWaalsContact O-N 3.16Å; E94-Y117 WeakPolarHBondContact O-CE1 3.39Å; E94-Y117 PolarHBondContact O-OH 2.8Å
95K69.3Low86Confident156 Ų15672.5 Ų72.568%0.67837%0.369SS*.  trans-78.4100.8177.3-79.4-173.9175.9179.80111.1P92P92-K95 PolarHBondContact O-N 2.82Å
96K78.4Confident86Confident121 Ų12173.1 Ų73.153%0.52637%0.373SS..PPolyproline II helixtrans-90.5161.7160.5-83.4-171.1-176.2176.30111.9E94 N98 Y117E94-K96 PolarHBondContact O-N 2.66Å; E94-K96 VanDerWaalsContact O-N 3.16Å; K96-N98 PolarHBondContact O-N 3.29Å; K96-Y117 HydrophobicContact CB-CD1 4.19Å; K96-Y117 HydrophobicContact CB-CE1 3.65Å; K96-Y117 HydrophobicContact CD-CD2 4.02Å; K96-Y117 HydrophobicContact CD-CE1 4.12Å; K96-Y117 HydrophobicContact CD-CE2 3.56Å; K96-Y117 HydrophobicContact CG-CE1 3.97Å; K96-Y117 HydrophobicContact CG-CE2 4.15Å
97A84.3Confident86Confident101 Ų10179.7 Ų79.784%0.83540%0.401SS*.PPolyproline II helixtrans-59.7132.9165.900000109.8
98N88.1Confident86Confident62 Ų6283.9 Ų83.933%0.33242%0.418SS..PPolyproline II helixtrans-70.2147.2179.7-69.4-31.5000110.5K96 Q102 E103K96-N98 PolarHBondContact O-N 3.29Å; N98-Q102 HydrophobicContact CB-CB 4.05Å; N98-E103 HydrophobicContact CB-CG 3.79Å
99S90.1Very high86Confident29 Ų2982.8 Ų82.820%0.20342%0.415CS..PPolyproline II helixtrans-71.5157.8169.775.60000111D39 L101 Q102 E103D39-S99 WeakPolarHBondContact OD2-CB 3.45Å; D39-S99 PolarHBondContact OD2-OG 2.88Å; S99-L101 PolarHBondContact O-N 2.87Å; S99-L101 VanDerWaalsContact O-N 3.1Å; S99-Q102 WeakPolarHBondContact O-CB 3.43Å; S99-Q102 PolarHBondContact O-N 2.87Å; S99-Q102 WeakPolarHBondContact OG-CG 3.4Å; S99-Q102 PolarHBondContact OG-N 2.88Å; S99-E103 PolarHBondContact O-N 3.05Å
100R90.1Very high86Confident208 Ų20882 Ų8279%0.78542%0.416SS*.Hα-helixtrans-52.9-34.8175.8-64.7-178.1-178177.20.4112.3R104R100-R104 WeakPolarHBondContact O-CG 3.13Å; R100-R104 PolarHBondContact O-N 2.96Å
101L89.6Confident86.2Confident34 Ų3487 Ų8718%0.17843%0.433CS..Hα-helixtrans-67.4-47.5176176.264.5000111.3T7 V9 S99 R104 L105 F386T7-L101 HydrophobicContact CG2-CD1 4.46Å; V9-L101 HydrophobicContact CG2-CD1 3.94Å; S99-L101 PolarHBondContact O-N 2.87Å; S99-L101 VanDerWaalsContact O-N 3.1Å; L101-R104 PolarHBondContact O-N 2.82Å; L101-L105 HydrophobicContact CD1-CD1 3.96Å; L101-L105 HydrophobicContact CD1-CG 4.12Å; L101-L105 HydrophobicContact CD2-CD1 4.49Å; L101-L105 HydrophobicContact CG-CD1 3.9Å; L101-L105 HydrophobicContact CG-CG 4.41Å; L101-L105 WeakPolarHBondContact O-CB 3.25Å; L101-L105 WeakPolarHBondContact O-CG 3.3Å; L101-L105 PolarHBondContact O-N 2.79Å; L101-F386 HydrophobicContact CD1-CE1 3.6Å; L101-F386 HydrophobicContact CD1-CZ 4.03Å
102Q92.9Very high86.5Confident3 Ų389.4 Ų89.41%0.01444%0.442CS..Hα-helixtrans-61.2-45.6178.4-74170.1-28.800111.2D39 G40 V41 N98 S99 R104 L105 L106 P115 F116D39-Q102 HydrophobicContact CB-CG 4.44Å; G40-Q102 PolarHBondContact O-NE2 2.86Å; V41-Q102 HydrophobicContact CG2-CB 4.22Å; V41-Q102 HydrophobicContact CG2-CG 3.97Å; N98-Q102 HydrophobicContact CB-CB 4.05Å; S99-Q102 WeakPolarHBondContact O-CB 3.43Å; S99-Q102 PolarHBondContact O-N 2.87Å; S99-Q102 WeakPolarHBondContact OG-CG 3.4Å; S99-Q102 PolarHBondContact OG-N 2.88Å; Q102-R104 PolarHBondContact O-N 2.79Å; Q102-L105 PolarHBondContact O-N 3.5Å; Q102-L106 WeakPolarHBondContact O-CB 3.31Å; Q102-L106 WeakPolarHBondContact O-CG 3.49Å; Q102-L106 PolarHBondContact O-N 2.81Å; Q102-P115 HydrophobicContact CG-CB 4.38Å; Q102-F116 PolarHBondContact NE2-O 3.08Å
103E92.5Very high87.3Confident96 Ų9684.8 Ų84.845%0.44941%0.412SS..Hα-helixtrans-57.7-46.7178.3-68.2179.716800112.4N98 S99 L106 K107N98-E103 HydrophobicContact CB-CG 3.79Å; S99-E103 PolarHBondContact O-N 3.05Å; E103-L106 PolarHBondContact O-N 2.93Å; E103-K107 WeakPolarHBondContact O-CG 3.35Å; E103-K107 PolarHBondContact O-N 2.98Å
104R91.7Very high88.3Confident64 Ų6477.1 Ų77.124%0.24238%0.376CS..Hα-helixtrans-65.5-40.9177-72.8174.264.8-153.1-5.4111.8T7 R100 L101 Q102 K107 K108 D383 F386T7-R104 PolarHBondContact OG1-NH1 2.79Å; T7-R104 PolarHBondContact OG1-NH2 3.45Å; R100-R104 WeakPolarHBondContact O-CG 3.13Å; R100-R104 PolarHBondContact O-N 2.96Å; L101-R104 PolarHBondContact O-N 2.82Å; Q102-R104 PolarHBondContact O-N 2.79Å; R104-K107 PolarHBondContact O-N 2.83Å; R104-K108 PolarHBondContact O-N 3.44Å; R104-D383 PolarHBondContact NE-O 2.67Å; R104-D383 PolarHBondContact NH2-O 2.86Å; R104-F386 HydrophobicContact CB-CE2 3.68Å; R104-F386 HydrophobicContact CB-CZ 3.43Å; R104-F386 VanDerWaalsContact CB-CZ 3.43Å
105L91.6Very high89.6Confident0 Ų075.8 Ų75.80%037%0.373CS..Hα-helixtrans-66.9-40.9176.7-77.6176.1000112.5V9 V41 L101 Q102 K107 K108 L109 F386 F388V9-L105 HydrophobicContact CG1-CD1 4.24Å; V9-L105 HydrophobicContact CG1-CD2 4.18Å; V9-L105 HydrophobicContact CG2-CD2 4.29Å; V41-L105 HydrophobicContact CB-CB 4.38Å; V41-L105 HydrophobicContact CB-CD1 4.33Å; V41-L105 HydrophobicContact CG2-CB 3.83Å; V41-L105 HydrophobicContact CG2-CD1 3.98Å; L101-L105 HydrophobicContact CD1-CD1 3.96Å; L101-L105 HydrophobicContact CD1-CG 4.12Å; L101-L105 HydrophobicContact CD2-CD1 4.49Å; L101-L105 HydrophobicContact CG-CD1 3.9Å; L101-L105 HydrophobicContact CG-CG 4.41Å; L101-L105 WeakPolarHBondContact O-CB 3.25Å; L101-L105 WeakPolarHBondContact O-CG 3.3Å; L101-L105 PolarHBondContact O-N 2.79Å; Q102-L105 PolarHBondContact O-N 3.5Å; L105-K107 VanDerWaalsContact C-N 3.34Å; L105-K108 PolarHBondContact O-N 2.89Å; L105-L109 HydrophobicContact CB-CD1 4.34Å; L105-L109 HydrophobicContact CD2-CD1 4.45Å; L105-L109 VanDerWaalsContact O-CB 3.23Å; L105-L109 WeakPolarHBondContact O-CB 3.47Å; L105-L109 VanDerWaalsContact O-CG 3.23Å; L105-L109 WeakPolarHBondContact O-CG 3.33Å; L105-L109 PolarHBondContact O-N 2.82Å; L105-F386 HydrophobicContact CD2-CD2 4.34Å; L105-F386 HydrophobicContact CD2-CE1 4.32Å; L105-F386 HydrophobicContact CD2-CE2 4.04Å; L105-F386 HydrophobicContact CD2-CZ 4Å; L105-F386 HydrophobicContact CG-CE1 4.48Å; L105-F386 HydrophobicContact CG-CE2 4.38Å; L105-F386 HydrophobicContact CG-CZ 4.01Å; L105-F388 HydrophobicContact CD2-CE1 3.87Å; L105-F388 HydrophobicContact CD2-CZ 4.2Å
106L93Very high90.8Very high35 Ų3568.4 Ų68.418%0.18334%0.341CS..Hα-helixtrans-62.9-42.1176.7-69.6170.1000110.8V41 Q102 E103 K108 G110 A113 P115V41-L106 HydrophobicContact CG1-CD2 3.98Å; Q102-L106 WeakPolarHBondContact O-CB 3.31Å; Q102-L106 WeakPolarHBondContact O-CG 3.49Å; Q102-L106 PolarHBondContact O-N 2.81Å; E103-L106 PolarHBondContact O-N 2.93Å; L106-K108 PolarHBondContact O-N 2.96Å; L106-G110 PolarHBondContact O-N 3.23Å; L106-A113 HydrophobicContact CD2-CB 3.72Å; L106-A113 WeakPolarHBondContact CD2-O 3.2Å; L106-P115 HydrophobicContact CD1-CB 4.41Å; L106-P115 HydrophobicContact CD1-CG 4.28Å
107K91.9Very high91.5Very high173 Ų17365 Ų6575%0.75233%0.325SS*.Hα-helixtrans-60.3-42.9173.3-73.8175.4-178.2179.50112.2E103 R104 L105E103-K107 WeakPolarHBondContact O-CG 3.35Å; E103-K107 PolarHBondContact O-N 2.98Å; R104-K107 PolarHBondContact O-N 2.83Å; L105-K107 VanDerWaalsContact C-N 3.34Å
108K92.4Very high92Very high93 Ų9360.4 Ų60.440%0.40429%0.287SS..Hα-helixtrans-77.3-35.9-177.8-171.4166-171165.40114.3R104 L105 L106 D384 F386 F388R104-K108 PolarHBondContact O-N 3.44Å; L105-K108 PolarHBondContact O-N 2.89Å; L106-K108 PolarHBondContact O-N 2.96Å; K108-D384 PolarHBondContact NZ-O 2.68Å; K108-F386 HydrophobicContact CD-CB 4.34Å; K108-F386 HydrophobicContact CD-CD2 3.51Å; K108-F386 HydrophobicContact CD-CE2 4.29Å; K108-F386 HydrophobicContact CD-CG 4.38Å; K108-F388 HydrophobicContact CD-CE2 4.25Å; K108-F388 HydrophobicContact CD-CZ 4.19Å
109L90.8Very high92.2Very high34 Ų3461.1 Ų61.118%0.17829%0.294CS..Hα-helixtrans-89.1-18.3-174.9-64.1174.6000113.1Y22 V41 L105 A113 F388Y22-L109 HydrophobicContact CD1-CD1 4.4Å; Y22-L109 HydrophobicContact CD2-CD1 3.67Å; Y22-L109 HydrophobicContact CE1-CD1 4.42Å; Y22-L109 HydrophobicContact CE1-CD2 4.08Å; Y22-L109 HydrophobicContact CE2-CD1 3.69Å; Y22-L109 HydrophobicContact CE2-CD2 4.08Å; Y22-L109 HydrophobicContact CG-CD1 4.05Å; V41-L109 HydrophobicContact CB-CD1 4.48Å; V41-L109 HydrophobicContact CG1-CD1 3.92Å; L105-L109 HydrophobicContact CB-CD1 4.34Å; L105-L109 HydrophobicContact CD2-CD1 4.45Å; L105-L109 VanDerWaalsContact O-CB 3.23Å; L105-L109 WeakPolarHBondContact O-CB 3.47Å; L105-L109 VanDerWaalsContact O-CG 3.23Å; L105-L109 WeakPolarHBondContact O-CG 3.33Å; L105-L109 PolarHBondContact O-N 2.82Å; L109-A113 HydrophobicContact CB-CB 3.69Å; L109-A113 HydrophobicContact CD1-CB 4.4Å; L109-F388 HydrophobicContact CD2-CZ 4.33Å
110G91.1Very high92.3Very high36 Ų3660 Ų6037%0.37129%0.285SS..  trans88.8-164.6174.700000114.6L106 H112 A113L106-G110 PolarHBondContact O-N 3.23Å; G110-H112 VanDerWaalsContact C-N 3.3Å; G110-H112 PolarHBondContact O-N 2.78Å; G110-A113 VanDerWaalsContact O-CB 3.31Å; G110-A113 WeakPolarHBondContact O-CB 3.4Å; G110-A113 PolarHBondContact O-N 3.19Å
111Q89Confident92.2Very high181 Ų18151.8 Ų51.885%0.84626%0.259SS*.THydrogen-bonded Turntrans-72.2-17.6-165.4-61.6-1792400115A113Q111-A113 VanDerWaalsContact C-N 3.28Å
112H92Very high91.9Very high92 Ų9255 Ų5543%0.42627%0.273SS..THydrogen-bonded Turntrans-93.611.8178.5-53.7-56.8000113L43 V44 G110L43-H112 HydrophobicContact CD1-CB 4.22Å; V44-H112 PolarHBondContact N-O 2.77Å; V44-H112 WeakPolarHBondContact O-CB 3.49Å; G110-H112 VanDerWaalsContact C-N 3.3Å; G110-H112 PolarHBondContact O-N 2.78Å
113A93.8Very high91.5Very high8 Ų859.7 Ų59.77%0.06630%0.298CS..EExtended strand (participates in β ladder)trans-93.3129.2174.600000109.7V41 I42 L106 L109 G110 Q111V41-A113 HydrophobicContact CG1-CB 3.76Å; I42-A113 CarbonylContact O-C 3.56Å; I42-A113 VanDerWaalsContact O-CA 3.28Å; I42-A113 WeakPolarHBondContact O-CA 3.26Å; L106-A113 HydrophobicContact CD2-CB 3.72Å; L106-A113 WeakPolarHBondContact CD2-O 3.2Å; L109-A113 HydrophobicContact CB-CB 3.69Å; L109-A113 HydrophobicContact CD1-CB 4.4Å; G110-A113 VanDerWaalsContact O-CB 3.31Å; G110-A113 WeakPolarHBondContact O-CB 3.4Å; G110-A113 PolarHBondContact O-N 3.19Å; Q111-A113 VanDerWaalsContact C-N 3.28Å
114H93.8Very high91.3Very high29 Ų2955.4 Ų55.413%0.13428%0.278CS..EExtended strand (participates in β ladder)trans-124.9126.2-177.2-59.4-60.9000110V41 I42 A87 F88V41-H114 WeakPolarHBondContact CA-O 3.37Å; I42-H114 PolarHBondContact N-O 3.13Å; I42-H114 PolarHBondContact O-N 3.34Å; A87-H114 HydrophobicContact CB-CB 4.32Å; F88-H114 AromaticContact CD2-CE1 3.52Å; F88-H114 AromaticContact CD2-NE2 3.41Å; F88-H114 WeakPolarHBondContact CD2-NE2 3.39Å
115P94.6Very high91.2Very high37 Ų3752.7 Ų52.724%0.2427%0.269CS..EExtended strand (participates in β ladder)trans-75.2152.3179.132.5-33.4000110.8F85 Q102 L106F85-P115 WeakPolarHBondContact CE1-O 3.35Å; Q102-P115 HydrophobicContact CG-CB 4.38Å; L106-P115 HydrophobicContact CD1-CB 4.41Å; L106-P115 HydrophobicContact CD1-CG 4.28Å
116F94.5Very high91.1Very high0 Ų053.6 Ų53.60%028%0.275CS..EExtended strand (participates in β ladder)trans-141.2153.9165.669.6-84.9000109.6V21 L23 G40 I42 V56 F85 Q102 F118 I147V21-F116 HydrophobicContact CG1-CE1 3.95Å; V21-F116 HydrophobicContact CG1-CZ 3.89Å; L23-F116 HydrophobicContact CD2-CE2 4.33Å; L23-F116 HydrophobicContact CD2-CZ 3.86Å; G40-F116 PolarHBondContact N-O 3.27Å; G40-F116 WeakPolarHBondContact O-CD1 3.28Å; G40-F116 PolarHBondContact O-N 3.27Å; G40-F116 VanDerWaalsContact O-O 3.12Å; I42-F116 HydrophobicContact CD1-CD1 4Å; I42-F116 HydrophobicContact CD1-CE1 4.45Å; I42-F116 HydrophobicContact CG1-CD1 3.63Å; I42-F116 HydrophobicContact CG1-CE1 3.76Å; V56-F116 HydrophobicContact CB-CD2 4.46Å; V56-F116 HydrophobicContact CG1-CD2 4.09Å; V56-F116 HydrophobicContact CG1-CE2 4.11Å; V56-F116 HydrophobicContact CG2-CB 4.29Å; V56-F116 HydrophobicContact CG2-CD1 4.26Å; V56-F116 HydrophobicContact CG2-CD2 4.43Å; V56-F116 HydrophobicContact CG2-CG 4.07Å; F85-F116 HydrophobicContact CD1-CB 3.46Å; F85-F116 VanDerWaalsContact CD1-CB 3.46Å; F85-F116 HydrophobicContact CE1-CB 3.61Å; F85-F116 HydrophobicContact CG-CB 4.25Å; Q102-F116 PolarHBondContact NE2-O 3.08Å; F116-F118 AromaticContact CD2-CD2 3.95Å; F116-F118 HydrophobicContact CD2-CD2 3.95Å; F116-F118 AromaticContact CD2-CE2 3.64Å; F116-F118 HydrophobicContact CD2-CE2 3.64Å; F116-F118 HydrophobicContact CE2-CD2 4.23Å; F116-F118 HydrophobicContact CE2-CE2 4.03Å; F116-I147 HydrophobicContact CE2-CG2 4.47Å
117Y93.6Very high91Very high49 Ų4952.4 Ų52.419%0.19227%0.27CS..EExtended strand (participates in β ladder)trans-140.3150.1176.163.3-91.9000110.5V38 F85 E94 K96V38-Y117 CarbonylContact O-C 3.59Å; V38-Y117 VanDerWaalsContact O-CA 3.22Å; V38-Y117 WeakPolarHBondContact O-CA 3.42Å; F85-Y117 HydrophobicContact CE2-CD1 4.04Å; F85-Y117 AromaticContact CE2-CE1 3.6Å; F85-Y117 HydrophobicContact CE2-CE1 3.6Å; F85-Y117 AromaticContact CE2-CZ 3.92Å; F85-Y117 HydrophobicContact CZ-CD1 4.3Å; F85-Y117 HydrophobicContact CZ-CE1 4.07Å; E94-Y117 WeakPolarHBondContact O-CE1 3.39Å; E94-Y117 PolarHBondContact O-OH 2.8Å; K96-Y117 HydrophobicContact CB-CD1 4.19Å; K96-Y117 HydrophobicContact CB-CE1 3.65Å; K96-Y117 HydrophobicContact CD-CD2 4.02Å; K96-Y117 HydrophobicContact CD-CE1 4.12Å; K96-Y117 HydrophobicContact CD-CE2 3.56Å; K96-Y117 HydrophobicContact CG-CE1 3.97Å; K96-Y117 HydrophobicContact CG-CE2 4.15Å
118F94.3Very high91Very high5 Ų544.5 Ų44.52%0.02224%0.236CC..EExtended strand (participates in β ladder)trans-132.1145.3166.3-63.6-82.1000111.2P37 V38 V56 L58 S83 F85 F116P37-F118 WeakPolarHBondContact CA-O 3.46Å; V38-F118 HydrophobicContact CB-CB 4.14Å; V38-F118 PolarHBondContact N-O 3.3Å; V38-F118 PolarHBondContact O-N 2.58Å; V56-F118 HydrophobicContact CB-CE2 4.06Å; V56-F118 HydrophobicContact CB-CZ 3.93Å; V56-F118 HydrophobicContact CG1-CE2 3.59Å; V56-F118 HydrophobicContact CG1-CZ 3.87Å; V56-F118 WeakPolarHBondContact O-CZ 3.36Å; L58-F118 HydrophobicContact CB-CB 4.38Å; L58-F118 HydrophobicContact CB-CD1 3.71Å; L58-F118 HydrophobicContact CB-CD2 3.91Å; L58-F118 HydrophobicContact CB-CE1 3.87Å; L58-F118 HydrophobicContact CB-CE2 4.06Å; L58-F118 HydrophobicContact CB-CG 3.73Å; L58-F118 HydrophobicContact CB-CZ 4.04Å; L58-F118 HydrophobicContact CD2-CB 3.56Å; L58-F118 HydrophobicContact CD2-CD1 4.29Å; L58-F118 HydrophobicContact CD2-CD2 4.44Å; L58-F118 HydrophobicContact CD2-CG 3.87Å; L58-F118 HydrophobicContact CG-CG 4.44Å; S83-F118 WeakPolarHBondContact O-CE1 3.46Å; F85-F118 HydrophobicContact CB-CE1 3.81Å; F85-F118 HydrophobicContact CB-CZ 3.72Å; F116-F118 AromaticContact CD2-CD2 3.95Å; F116-F118 HydrophobicContact CD2-CD2 3.95Å; F116-F118 AromaticContact CD2-CE2 3.64Å; F116-F118 HydrophobicContact CD2-CE2 3.64Å; F116-F118 HydrophobicContact CE2-CD2 4.23Å; F116-F118 HydrophobicContact CE2-CE2 4.03Å
119T92.3Very high90.8Very high78 Ų7840.7 Ų40.748%0.47922%0.22SC..  trans-106.3119.9167.4-54.80000107.9P121T119-P121 WeakPolarHBondContact O-CD 3.39Å
120I92.1Very high90.6Very high4 Ų439.4 Ų39.42%0.02121%0.214CC..  trans-81.4122.9177.9-64.9170.5000108.4F28 V35 V38 L58 L124 F145 K171F28-I120 HydrophobicContact CB-CD1 4.44Å; V35-I120 HydrophobicContact CB-CB 4.15Å; V35-I120 HydrophobicContact CG1-CB 3.86Å; V35-I120 HydrophobicContact CG1-CD1 4.12Å; V35-I120 HydrophobicContact CG1-CG2 4.14Å; V35-I120 HydrophobicContact CG2-CG2 4.45Å; V38-I120 HydrophobicContact CG2-CD1 3.78Å; V38-I120 HydrophobicContact CG2-CG1 4.2Å; L58-I120 HydrophobicContact CD2-CG1 3.85Å; I120-L124 HydrophobicContact CG2-CD1 4.15Å; I120-F145 HydrophobicContact CG2-CE1 3.96Å; I120-K171 HydrophobicContact CG2-CD 3.97Å
121P89.3Confident90.2Very high37 Ų3738.8 Ų38.824%0.2420%0.201CC..  trans-61.2142.1173.2-22.832.6000112.5Y81 T119 N123 L124Y81-P121 HydrophobicContact CD2-CG 4.02Å; Y81-P121 HydrophobicContact CE1-CG 4.42Å; Y81-P121 HydrophobicContact CE2-CG 3.52Å; T119-P121 WeakPolarHBondContact O-CD 3.39Å; P121-N123 VanDerWaalsContact C-N 3.3Å; P121-N123 WeakPolarHBondContact CB-OD1 3.42Å; P121-N123 PolarHBondContact O-N 3.08Å; P121-L124 HydrophobicContact CB-CD1 4.41Å; P121-L124 HydrophobicContact CB-CG 4.2Å; P121-L124 HydrophobicContact CG-CD1 4.24Å; P121-L124 PolarHBondContact O-N 3.45Å
122Q83.6Confident89.5Confident102 Ų10232.7 Ų32.748%0.47718%0.177SC..THydrogen-bonded Turntrans-68.2-29-175.2-65.5171.120.100113.5D33 V35 L124D33-Q122 VanDerWaalsContact C-NE2 3.34Å; D33-Q122 PolarHBondContact O-NE2 3.1Å; V35-Q122 HydrophobicContact CG2-CG 4.38Å; Q122-L124 PolarHBondContact O-N 3.03Å
123N84.1Confident88.5Confident101 Ų10128.6 Ų28.654%0.5416%0.16SC..THydrogen-bonded Turntrans-73.7-5.6-179.764.3-42.6000113.5P121P121-N123 VanDerWaalsContact C-N 3.3Å; P121-N123 WeakPolarHBondContact CB-OD1 3.42Å; P121-N123 PolarHBondContact O-N 3.08Å
124L88.6Confident87.2Confident6 Ų634 Ų343%0.03119%0.194CC..SBendtrans-77.7144.7176.4-62.2-177.2000111.5C60 Y81 I120 P121 Q122 F145 K171C60-L124 HydrophobicContact CB-CD1 4.19Å; Y81-L124 HydrophobicContact CD1-CD1 3.8Å; Y81-L124 HydrophobicContact CD2-CD1 4.29Å; Y81-L124 HydrophobicContact CG-CD1 3.64Å; Y81-L124 HydrophobicContact CG-CD2 4.45Å; I120-L124 HydrophobicContact CG2-CD1 4.15Å; P121-L124 HydrophobicContact CB-CD1 4.41Å; P121-L124 HydrophobicContact CB-CG 4.2Å; P121-L124 HydrophobicContact CG-CD1 4.24Å; P121-L124 PolarHBondContact O-N 3.45Å; Q122-L124 PolarHBondContact O-N 3.03Å; L124-F145 HydrophobicContact CB-CE1 4.49Å; L124-F145 HydrophobicContact CB-CZ 4.1Å; L124-F145 HydrophobicContact CD1-CE1 4.03Å; L124-F145 HydrophobicContact CD1-CZ 4.44Å; L124-K171 PolarHBondContact O-NZ 2.8Å
125P88.8Confident85.6Confident7 Ų739.4 Ų39.45%0.04522%0.219CC..PPolyproline II helixtrans-69.3158.1179.625-28.8000112.3L80 V143 F145 V315 L316L80-P125 HydrophobicContact CD1-CG 3.65Å; P125-V143 HydrophobicContact CB-CG1 4.39Å; P125-V143 HydrophobicContact CB-CG2 4.33Å; P125-V143 HydrophobicContact CG-CG1 3.82Å; P125-V143 HydrophobicContact CG-CG2 3.98Å; P125-F145 WeakPolarHBondContact O-CE2 3.37Å; P125-F145 VanDerWaalsContact O-CZ 3.28Å; P125-F145 WeakPolarHBondContact O-CZ 3.33Å; P125-V315 VanDerWaalsContact CD-O 3.29Å; P125-V315 WeakPolarHBondContact CD-O 3.26Å; P125-L316 VanDerWaalsContact CB-O 3.25Å; P125-L316 WeakPolarHBondContact CB-O 3.48Å
126C89.9Confident84.1Confident19 Ų1939.8 Ų39.813%0.12822%0.219CC..PPolyproline II helixtrans-73.3161.9171.2-66.90000111.2V128 K171C126-V128 PolarHBondContact O-N 2.81Å; C126-K171 WeakPolarHBondContact CB-O 3.19Å
127S90.8Very high82.2Confident10 Ų1042.3 Ų42.37%0.0724%0.235CC..  trans-68.6114.7176-66.80000110.5V143 F145 R170 K171S127-V143 WeakPolarHBondContact CA-O 3.44Å; S127-F145 WeakPolarHBondContact OG-CD2 3.43Å; S127-R170 WeakPolarHBondContact OG-CA 3.47Å; S127-K171 PolarHBondContact N-O 3Å; S127-K171 PolarHBondContact OG-N 2.9Å
128V91Very high80.5Confident6 Ų641.7 Ų41.74%0.03624%0.243CC..EExtended strand (participates in β ladder)trans-138.5134.6179.9178.60000108.6C126 G142 V143 A289 L290 A302 I318 V320C126-V128 PolarHBondContact O-N 2.81Å; V128-G142 CarbonylContact O-C 3.59Å; V128-G142 WeakPolarHBondContact O-CA 3.21Å; V128-V143 PolarHBondContact O-N 2.87Å; V128-A289 HydrophobicContact CG1-CB 3.95Å; V128-L290 CarbonylContact C-O 3.58Å; V128-L290 WeakPolarHBondContact CA-O 3.17Å; V128-A302 HydrophobicContact CG1-CB 4.06Å; V128-A302 HydrophobicContact CG2-CB 4.43Å; V128-I318 HydrophobicContact CB-CB 4.44Å; V128-I318 HydrophobicContact CG1-CB 4.2Å; V128-I318 HydrophobicContact CG1-CD1 4.33Å; V128-I318 HydrophobicContact CG1-CG2 4.07Å; V128-V320 HydrophobicContact CG1-CG2 3.97Å; V128-V320 HydrophobicContact CG2-CG2 4.43Å
129T89.4Confident79.1Confident14 Ų1445.1 Ų45.19%0.08626%0.258CS..EExtended strand (participates in β ladder)trans-123.4127.9176.1-53.70000109.4A140 C141 L290T129-A140 HydrophobicContact CG2-CB 3.5Å; T129-A140 VanDerWaalsContact CG2-CB 3.5Å; T129-C141 CarbonylContact C-O 3.52Å; T129-L290 PolarHBondContact N-O 2.82Å; T129-L290 PolarHBondContact O-N 2.84Å
130L87.1Confident78.1Confident7 Ų743.2 Ų43.24%0.03725%0.25CS..EExtended strand (participates in β ladder)trans-85.5128.9170.9-73169.9000109.9C141 A240 I242 Y250 A289 I318L130-C141 HydrophobicContact CB-CB 4.29Å; L130-C141 HydrophobicContact CD1-CB 4.5Å; L130-C141 PolarHBondContact N-O 2.91Å; L130-A240 HydrophobicContact CD2-CB 3.76Å; L130-I242 HydrophobicContact CD1-CD1 3.57Å; L130-I242 HydrophobicContact CD1-CG1 3.88Å; L130-Y250 HydrophobicContact CD1-CD2 4.18Å; L130-Y250 HydrophobicContact CD1-CE2 4.24Å; L130-A289 HydrophobicContact CD2-CB 3.85Å; L130-I318 HydrophobicContact CD1-CD1 3.79Å; L130-I318 HydrophobicContact CG-CD1 3.86Å
131Q81.4Confident77.5Confident22 Ų2244 Ų4410%0.10326%0.256CS..PPolyproline II helixtrans-66.3123.6176.9-178.2167.1-2.700110.7R283 K285 G287 L288 L290Q131-R283 PolarHBondContact NE2-O 2.92Å; Q131-K285 VanDerWaalsContact CD-O 3.26Å; Q131-K285 PolarHBondContact OE1-O 2.9Å; Q131-G287 PolarHBondContact O-N 2.84Å; Q131-L288 HydrophobicContact CB-CB 4.17Å; Q131-L288 WeakPolarHBondContact CB-O 3.45Å; Q131-L288 PolarHBondContact N-O 2.78Å; Q131-L290 HydrophobicContact CB-CD1 4.5Å
132P74.4Confident77.5Confident54 Ų5442.2 Ų42.235%0.35125%0.245SC..PPolyproline II helixtrans-66156.2174.627.6-33000111.1D136P132-D136 HydrophobicContact CB-CB 3.94Å
133G70.4Confident77.7Confident6 Ų637.4 Ų37.46%0.06222%0.222CC..PPolyproline II helixtrans-74.4163.3168.700000112.1E135 D136 R286G133-E135 PolarHBondContact O-N 2.81Å; G133-D136 WeakPolarHBondContact CA-OD2 3.5Å; G133-D136 PolarHBondContact N-OD2 3.45Å; G133-D136 PolarHBondContact O-N 3.28Å; G133-R286 VanDerWaalsContact CA-CD 3.45Å; G133-R286 VanDerWaalsContact CA-CG 3.46Å
134P66.7Low78Confident120 Ų12033.6 Ų33.678%0.77920%0.202SC*.THydrogen-bonded Turntrans-60-27.4175.624.1-33.3000113
135E61.6Low78.2Confident143 Ų14333.3 Ų33.367%0.66820%0.2SC*.THydrogen-bonded Turntrans-84.2-17.3175-57.3-62141.600112.6R66 G133 T137R66-E135 PolarHBondContact NE-O 3.44Å; R66-E135 PolarHBondContact NH2-O 3.06Å; G133-E135 PolarHBondContact O-N 2.81Å; E135-T137 PolarHBondContact O-N 2.83Å
136D61.7Low78.5Confident45 Ų4533.5 Ų33.524%0.24120%0.201CC..  trans-85.1106.5-175.7-63-43000109.7P132 G133 R286P132-D136 HydrophobicContact CB-CB 3.94Å; G133-D136 WeakPolarHBondContact CA-OD2 3.5Å; G133-D136 PolarHBondContact N-OD2 3.45Å; G133-D136 PolarHBondContact O-N 3.28Å; D136-R286 IonicContact OD1-NH2 2.76Å; D136-R286 PolarHBondContact OD1-NH2 2.81Å; D136-R286 VanDerWaalsContact OD1-NH2 3.16Å; D136-R286 IonicContact OD2-CZ 3.16Å; D136-R286 VanDerWaalsContact OD2-CZ 3.23Å; D136-R286 IonicContact OD2-NE 3.55Å; D136-R286 PolarHBondContact OD2-NE 3.16Å; D136-R286 IonicContact OD2-NH2 2.72Å; D136-R286 PolarHBondContact OD2-NH2 2.77Å
137T54.8Low78.7Confident54 Ų5432.6 Ų32.633%0.33119%0.194SC..  trans-94.7126.6178.241.70000111.4R66 E67 D68 E135R66-T137 CarbonylContact C-O 3.55Å; R66-T137 WeakPolarHBondContact CA-O 3.3Å; R66-T137 WeakPolarHBondContact CG-O 3.43Å; E67-T137 PolarHBondContact N-O 3.38Å; D68-T137 WeakPolarHBondContact CB-OG1 3.43Å; D68-T137 PolarHBondContact OD1-OG1 2.81Å; D68-T137 WeakPolarHBondContact OD2-CB 3.35Å; D68-T137 VanDerWaalsContact OD2-CG2 3.32Å; D68-T137 WeakPolarHBondContact OD2-CG2 3.33Å; D68-T137 PolarHBondContact OD2-OG1 2.87Å; E135-T137 PolarHBondContact O-N 2.83Å
138G59.5Low78.9Confident35 Ų3535 Ų3536%0.36120%0.202SC..SBendtrans125.3-172.617900000114.2A140G138-A140 PolarHBondContact O-N 2.87Å
139K63.6Low79.1Confident78 Ų7834.8 Ų34.834%0.33920%0.2SC..SBendtrans-68.2130.8-174.1-71.6-175.7177.2620111.9E67 C141 D404E67-K139 IonicContact OE1-NZ 3.69Å; E67-K139 PolarHBondContact OE1-NZ 2.77Å; K139-C141 PolarHBondContact O-N 3.19Å; K139-D404 WeakPolarHBondContact CE-OD1 3.44Å; K139-D404 IonicContact NZ-OD1 3.43Å; K139-D404 PolarHBondContact NZ-OD1 3.34Å; K139-D404 IonicContact NZ-OD2 3.47Å
140A70.7Confident79.3Confident37 Ų3734.2 Ų34.231%0.30620%0.197SC..PPolyproline II helixtrans-53.2138.3176.200000112.1T129 G138T129-A140 HydrophobicContact CG2-CB 3.5Å; T129-A140 VanDerWaalsContact CG2-CB 3.5Å; G138-A140 PolarHBondContact O-N 2.87Å
141C80.9Confident79.5Confident20 Ų2034.1 Ų34.114%0.13520%0.196CC..PPolyproline II helixtrans-67.7135.1175.6174.90000109.7R63 Y64 T129 L130 K139R63-C141 CarbonylContact O-C 3.6Å; R63-C141 VanDerWaalsContact O-CA 3.26Å; R63-C141 WeakPolarHBondContact O-CA 3.45Å; R63-C141 PolarHBondContact O-SG 3.26Å; Y64-C141 HydrophobicContact CD2-CB 4.47Å; T129-C141 CarbonylContact C-O 3.52Å; L130-C141 HydrophobicContact CB-CB 4.29Å; L130-C141 HydrophobicContact CD1-CB 4.5Å; L130-C141 PolarHBondContact N-O 2.91Å; K139-C141 PolarHBondContact O-N 3.19Å
142G87.8Confident79.9Confident1 Ų133.2 Ų33.21%0.0119%0.193CC..EExtended strand (participates in β ladder)trans173.3175.6-177.700000115.8F62 R63 V128F62-G142 WeakPolarHBondContact CA-O 3.42Å; R63-G142 PolarHBondContact N-O 2.73Å; R63-G142 PolarHBondContact O-N 2.62Å; V128-G142 CarbonylContact O-C 3.59Å; V128-G142 WeakPolarHBondContact O-CA 3.21Å
143V89.6Confident80.5Confident1 Ų136.2 Ų36.21%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-104.7117172176.10000108.5F62 P125 S127 V128 F145F62-V143 HydrophobicContact CD2-CG2 3.81Å; P125-V143 HydrophobicContact CB-CG1 4.39Å; P125-V143 HydrophobicContact CB-CG2 4.33Å; P125-V143 HydrophobicContact CG-CG1 3.82Å; P125-V143 HydrophobicContact CG-CG2 3.98Å; S127-V143 WeakPolarHBondContact CA-O 3.44Å; V128-V143 PolarHBondContact O-N 2.87Å; V143-F145 HydrophobicContact CG1-CE2 4.08Å
144D90.2Very high81.3Confident20 Ų2038.6 Ų38.611%0.10722%0.216CC..EExtended strand (participates in β ladder)trans-115.7141.5177.2-69.9-30.9000110.8C60 A61 R63C60-D144 WeakPolarHBondContact CA-O 3.44Å; A61-D144 PolarHBondContact N-O 3.38Å; A61-D144 PolarHBondContact O-N 3.31Å; R63-D144 IonicContact CZ-OD2 2.81Å; R63-D144 IonicContact NE-OD2 3.7Å
145F93.1Very high82Confident0 Ų037.1 Ų37.10%020%0.201CC..EExtended strand (participates in β ladder)trans-104.2119.4167.6-73.2-103000109.4L58 T59 C60 I120 L124 P125 S127 V143 V168 I169 K171L58-F145 HydrophobicContact CD1-CD1 4.48Å; T59-F145 CarbonylContact O-C 3.59Å; T59-F145 WeakPolarHBondContact O-CA 3.29Å; C60-F145 HydrophobicContact CB-CD1 3.95Å; C60-F145 HydrophobicContact CB-CE1 3.7Å; C60-F145 HydrophobicContact CB-CZ 4.06Å; C60-F145 VanDerWaalsContact SG-CZ 3.53Å; I120-F145 HydrophobicContact CG2-CE1 3.96Å; L124-F145 HydrophobicContact CB-CE1 4.49Å; L124-F145 HydrophobicContact CB-CZ 4.1Å; L124-F145 HydrophobicContact CD1-CE1 4.03Å; L124-F145 HydrophobicContact CD1-CZ 4.44Å; P125-F145 WeakPolarHBondContact O-CE2 3.37Å; P125-F145 VanDerWaalsContact O-CZ 3.28Å; P125-F145 WeakPolarHBondContact O-CZ 3.33Å; S127-F145 WeakPolarHBondContact OG-CD2 3.43Å; V143-F145 HydrophobicContact CG1-CE2 4.08Å; F145-V168 CarbonylContact O-C 3.56Å; F145-V168 WeakPolarHBondContact O-CA 3.44Å; F145-I169 HydrophobicContact CB-CD1 4.17Å; F145-I169 HydrophobicContact CB-CG1 3.65Å; F145-I169 PolarHBondContact O-N 2.81Å; F145-K171 HydrophobicContact CD2-CB 3.94Å; F145-K171 HydrophobicContact CE1-CD 4.27Å; F145-K171 HydrophobicContact CE2-CB 3.56Å; F145-K171 HydrophobicContact CE2-CD 4.04Å; F145-K171 HydrophobicContact CE2-CG 4.45Å; F145-K171 HydrophobicContact CZ-CB 3.89Å; F145-K171 HydrophobicContact CZ-CD 3.58Å; F145-K171 HydrophobicContact CZ-CG 4.39Å
146E93.8Very high83Confident12 Ų1238.9 Ų38.96%0.05621%0.209CC..EExtended strand (participates in β ladder)trans-116.4124.6-174.8-177.6175.4126.500110.2L58 T59 R63 R166 L167L58-E146 WeakPolarHBondContact CA-O 3.49Å; T59-E146 PolarHBondContact N-O 3.09Å; T59-E146 PolarHBondContact O-N 2.93Å; R63-E146 IonicContact NH2-OE2 3.76Å; R63-E146 PolarHBondContact NH2-OE2 3.36Å; R63-E146 VanDerWaalsContact NH2-OE2 3.17Å; E146-R166 HydrophobicContact CG-CG 3.89Å; E146-R166 IonicContact OE1-NE 3.85Å; E146-R166 PolarHBondContact OE1-NE 2.99Å; E146-R166 IonicContact OE2-CZ 2.87Å; E146-R166 IonicContact OE2-NE 2.85Å; E146-R166 PolarHBondContact OE2-NE 3.25Å; E146-R166 IonicContact OE2-NH2 2.68Å; E146-R166 PolarHBondContact OE2-NH2 3.03Å; E146-L167 CarbonylContact C-O 3.58Å; E146-L167 WeakPolarHBondContact CA-O 3.2Å
147I95Very high84Confident0 Ų040.4 Ų40.40%022%0.215CC..EExtended strand (participates in β ladder)trans-98.7122.1165.9-62167.6000107.3L23 V38 V56 T57 L58 F116 L167 I169L23-I147 HydrophobicContact CD1-CD1 3.77Å; L23-I147 HydrophobicContact CD2-CD1 4.32Å; V38-I147 HydrophobicContact CG1-CD1 3.52Å; V56-I147 HydrophobicContact CG1-CG2 3.61Å; T57-I147 CarbonylContact O-C 3.59Å; T57-I147 WeakPolarHBondContact O-CA 3.4Å; L58-I147 HydrophobicContact CD1-CG1 3.89Å; F116-I147 HydrophobicContact CE2-CG2 4.47Å; I147-L167 HydrophobicContact CB-CB 4.23Å; I147-L167 HydrophobicContact CB-CD1 4.47Å; I147-L167 HydrophobicContact CG2-CD1 4.29Å; I147-L167 PolarHBondContact N-O 2.91Å; I147-L167 PolarHBondContact O-N 3.31Å; I147-I169 HydrophobicContact CD1-CD1 3.95Å; I147-I169 HydrophobicContact CD1-CG1 4.21Å; I147-I169 HydrophobicContact CD1-CG2 3.71Å; I147-I169 HydrophobicContact CG1-CD1 4.23Å; I147-I169 HydrophobicContact CG1-CG1 4.32Å; I147-I169 HydrophobicContact CG1-CG2 4.47Å
148R94.7Very high85.2Confident61 Ų6146.6 Ų46.623%0.2324%0.237CC..EExtended strand (participates in β ladder)trans-122.2118.1176.1-168.4179.8-173.1-176.50.3110V56 T57 F150 I159 V165V56-R148 CarbonylContact C-O 3.46Å; V56-R148 WeakPolarHBondContact CA-O 3.49Å; T57-R148 PolarHBondContact N-O 3.48Å; T57-R148 PolarHBondContact O-N 2.97Å; T57-R148 WeakPolarHBondContact OG1-CB 3.39Å; T57-R148 PolarHBondContact OG1-O 3.45Å; R148-F150 HydrophobicContact CG-CD1 4.38Å; R148-I159 VanDerWaalsContact CZ-CG2 3.49Å; R148-V165 CarbonylContact C-O 3.56Å; R148-V165 VanDerWaalsContact CA-O 3.26Å; R148-V165 WeakPolarHBondContact CA-O 3.45Å
149A94.7Very high86.4Confident0 Ų047.1 Ų47.10%023%0.231CC..EExtended strand (participates in β ladder)trans-103.9137.8172.800000109.6L19 V21 I42 F55 V56 S164 V165L19-A149 HydrophobicContact CD2-CB 3.9Å; L19-A149 WeakPolarHBondContact CD2-O 3.49Å; V21-A149 HydrophobicContact CG2-CB 3.48Å; V21-A149 VanDerWaalsContact CG2-CB 3.48Å; I42-A149 HydrophobicContact CD1-CB 4.48Å; F55-A149 CarbonylContact O-C 3.48Å; F55-A149 WeakPolarHBondContact O-CA 3.33Å; V56-A149 HydrophobicContact CG2-CB 4.2Å; A149-S164 CarbonylContact O-C 3.57Å; A149-S164 WeakPolarHBondContact O-CA 3.47Å; A149-S164 WeakPolarHBondContact O-CB 3.04Å; A149-V165 HydrophobicContact CB-CB 4.47Å; A149-V165 PolarHBondContact N-O 3.44Å; A149-V165 PolarHBondContact O-N 2.88Å
150F93.7Very high87.4Confident3 Ų348.9 Ų48.91%0.01324%0.24CC..EExtended strand (participates in β ladder)trans-154.5155.9-179.459-86.9000112.7V54 F55 T57 R148 A152 I159V54-F150 WeakPolarHBondContact CA-O 3.37Å; F55-F150 HydrophobicContact CB-CD2 4.39Å; F55-F150 HydrophobicContact CB-CE1 4.01Å; F55-F150 HydrophobicContact CB-CE2 3.85Å; F55-F150 HydrophobicContact CB-CZ 3.64Å; F55-F150 HydrophobicContact CD2-CD2 4.42Å; F55-F150 AromaticContact CD2-CE2 3.82Å; F55-F150 HydrophobicContact CD2-CE2 3.82Å; F55-F150 HydrophobicContact CD2-CZ 4.35Å; F55-F150 HydrophobicContact CG-CE2 4.21Å; F55-F150 HydrophobicContact CG-CZ 4.3Å; F55-F150 PolarHBondContact N-O 3.2Å; F55-F150 PolarHBondContact O-N 2.98Å; T57-F150 HydrophobicContact CG2-CE1 3.8Å; T57-F150 HydrophobicContact CG2-CZ 4.31Å; R148-F150 HydrophobicContact CG-CD1 4.38Å; F150-A152 HydrophobicContact CD2-CB 3.9Å; F150-A152 HydrophobicContact CE2-CB 3.99Å; F150-I159 HydrophobicContact CB-CG2 3.57Å; F150-I159 HydrophobicContact CD1-CD1 3.71Å; F150-I159 HydrophobicContact CD1-CG1 4.17Å; F150-I159 HydrophobicContact CD1-CG2 4.2Å; F150-I159 HydrophobicContact CD2-CD1 4.24Å; F150-I159 HydrophobicContact CD2-CG1 3.84Å; F150-I159 HydrophobicContact CD2-CG2 4.16Å; F150-I159 HydrophobicContact CE1-CD1 3.48Å; F150-I159 VanDerWaalsContact CE1-CD1 3.48Å; F150-I159 HydrophobicContact CE1-CG1 4.16Å; F150-I159 HydrophobicContact CE2-CD1 4.04Å; F150-I159 HydrophobicContact CE2-CG1 3.83Å; F150-I159 HydrophobicContact CG-CD1 4.08Å; F150-I159 HydrophobicContact CG-CG1 4.01Å; F150-I159 HydrophobicContact CG-CG2 3.74Å; F150-I159 HydrophobicContact CZ-CD1 3.66Å; F150-I159 HydrophobicContact CZ-CG1 3.99Å
151C91.6Very high88Confident4 Ų453 Ų533%0.02725%0.251CS..EExtended strand (participates in β ladder)trans-99.9124.4172.7-55.60000110.5Y48 K53 N163Y48-C151 HydrophobicContact CE1-CB 4.03Å; K53-C151 CarbonylContact O-C 3.57Å; K53-C151 VanDerWaalsContact O-CA 3.26Å; K53-C151 WeakPolarHBondContact O-CA 3.37Å; C151-N163 PolarHBondContact O-ND2 2.91Å
152A89.7Confident88.2Confident4 Ų461 Ų613%0.03328%0.278CS..EExtended strand (participates in β ladder)trans-150160.8178.900000111.2K53 F55 F150 S154 E157K53-A152 WeakPolarHBondContact CA-O 3.18Å; K53-A152 WeakPolarHBondContact CB-O 3.41Å; K53-A152 PolarHBondContact N-O 3.03Å; K53-A152 PolarHBondContact O-N 2.65Å; F55-A152 HydrophobicContact CD2-CB 4.39Å; F55-A152 HydrophobicContact CE2-CB 4.43Å; F150-A152 HydrophobicContact CD2-CB 3.9Å; F150-A152 HydrophobicContact CE2-CB 3.99Å; A152-S154 VanDerWaalsContact CB-O 3.31Å; A152-S154 WeakPolarHBondContact CB-O 3.4Å; A152-E157 HydrophobicContact CB-CB 4.18Å
153K87.4Confident88.1Confident117 Ų11761.5 Ų61.551%0.50928%0.281SS..SBendtrans-77.3-39.4174.1-62.3-166.4-175.2-148.90111.4D51 R52 E157D51-K153 VanDerWaalsContact OD2-CE 3.3Å; D51-K153 WeakPolarHBondContact OD2-CE 3.42Å; D51-K153 IonicContact OD2-NZ 2.81Å; D51-K153 PolarHBondContact OD2-NZ 3.05Å; R52-K153 HydrophobicContact CG-CG 4.17Å; K153-E157 PolarHBondContact N-OE2 3.38Å
154S85.9Confident88.1Confident55 Ų5562 Ų6239%0.38528%0.284SS..SBendtrans-130.2162.2175.467.50000111.1A152 E156 E157A152-S154 VanDerWaalsContact CB-O 3.31Å; A152-S154 WeakPolarHBondContact CB-O 3.4Å; S154-E156 VanDerWaalsContact C-N 3.26Å; S154-E156 PolarHBondContact O-N 2.67Å; S154-E157 WeakPolarHBondContact O-CB 3.28Å; S154-E157 PolarHBondContact O-N 2.79Å; S154-E157 PolarHBondContact OG-N 3.18Å
155I82.4Confident88.3Confident90 Ų9061.1 Ų61.146%0.46228%0.28SS..THydrogen-bonded Turntrans-68.5-26.4178-167.3169.1000112.7F55 T84 E157F55-I155 HydrophobicContact CZ-CB 4.48Å; T84-I155 HydrophobicContact CG2-CD1 3.49Å; T84-I155 VanDerWaalsContact CG2-CD1 3.49Å; T84-I155 HydrophobicContact CG2-CG1 4.21Å; I155-E157 VanDerWaalsContact C-N 3.33Å
156E82.1Confident88.3Confident180 Ų18064.9 Ų64.984%0.84129%0.294SS*.THydrogen-bonded Turntrans-83.7-10.4-178.2-61.8175-17600112.8S154S154-E156 VanDerWaalsContact C-N 3.26Å; S154-E156 PolarHBondContact O-N 2.67Å
157E82.1Confident88.2Confident77 Ų7764.4 Ų64.436%0.3629%0.292SS..SBendtrans-65.4139.2-179.6-167.7178.4173.200111A152 K153 S154 I155 I159A152-E157 HydrophobicContact CB-CB 4.18Å; K153-E157 PolarHBondContact N-OE2 3.38Å; S154-E157 WeakPolarHBondContact O-CB 3.28Å; S154-E157 PolarHBondContact O-N 2.79Å; S154-E157 PolarHBondContact OG-N 3.18Å; I155-E157 VanDerWaalsContact C-N 3.33Å; E157-I159 PolarHBondContact O-N 2.67Å; E157-I159 VanDerWaalsContact O-N 3.09Å
158K81.8Confident88Confident183 Ų18366.1 Ų66.180%0.79630%0.303SS*.PPolyproline II helixtrans-63.1116.5179-171.8175-178.3175.70110.2H160K158-H160 PolarHBondContact O-N 2.76Å
159I84.4Confident87.9Confident46 Ų4663.3 Ų63.324%0.23629%0.292CS..PPolyproline II helixtrans-70.1119.7-177.6-51.2165.8000110.5R148 F150 E157R148-I159 VanDerWaalsContact CZ-CG2 3.49Å; F150-I159 HydrophobicContact CB-CG2 3.57Å; F150-I159 HydrophobicContact CD1-CD1 3.71Å; F150-I159 HydrophobicContact CD1-CG1 4.17Å; F150-I159 HydrophobicContact CD1-CG2 4.2Å; F150-I159 HydrophobicContact CD2-CD1 4.24Å; F150-I159 HydrophobicContact CD2-CG1 3.84Å; F150-I159 HydrophobicContact CD2-CG2 4.16Å; F150-I159 HydrophobicContact CE1-CD1 3.48Å; F150-I159 VanDerWaalsContact CE1-CD1 3.48Å; F150-I159 HydrophobicContact CE1-CG1 4.16Å; F150-I159 HydrophobicContact CE2-CD1 4.04Å; F150-I159 HydrophobicContact CE2-CG1 3.83Å; F150-I159 HydrophobicContact CG-CD1 4.08Å; F150-I159 HydrophobicContact CG-CG1 4.01Å; F150-I159 HydrophobicContact CG-CG2 3.74Å; F150-I159 HydrophobicContact CZ-CD1 3.66Å; F150-I159 HydrophobicContact CZ-CG1 3.99Å; E157-I159 PolarHBondContact O-N 2.67Å; E157-I159 VanDerWaalsContact O-N 3.09Å
160H83.1Confident87.8Confident115 Ų11564.2 Ų64.253%0.53230%0.295SS..PPolyproline II helixtrans-78.8141.3174.5-67-82.5000111.7K158 R162 N163 S164K158-H160 PolarHBondContact O-N 2.76Å; H160-R162 VanDerWaalsContact C-N 3.29Å; H160-R162 PolarHBondContact O-N 2.81Å; H160-N163 VanDerWaalsContact CB-OD1 3.3Å; H160-N163 WeakPolarHBondContact CB-OD1 3.48Å; H160-N163 PolarHBondContact O-OD1 3.06Å; H160-S164 WeakPolarHBondContact O-CB 3.41Å; H160-S164 PolarHBondContact O-N 3.41Å; H160-S164 PolarHBondContact O-OG 3.35Å
161K83.4Confident87.7Confident124 Ų12464.2 Ų64.254%0.53930%0.295SS..G310 helixtrans-61-39.3177.2-70.9-173.6175.6-174.70111.8N163 S164 E405K161-N163 VanDerWaalsContact C-N 3.3Å; K161-N163 PolarHBondContact O-N 2.69Å; K161-S164 PolarHBondContact O-N 2.8Å; K161-S164 PolarHBondContact O-OG 3.43Å; K161-E405 IonicContact NZ-OE2 2.72Å; K161-E405 PolarHBondContact NZ-OE2 3.2Å
162R85.7Confident87.6Confident187 Ų18764.7 Ų64.771%0.70630%0.298SS*.G310 helixtrans-61.8-30.1-175.8-173.8174.3-177.3-173.31.8114.9N16 H160N16-R162 HydrophobicContact CB-CG 4.04Å; N16-R162 PolarHBondContact N-O 3.48Å; N16-R162 PolarHBondContact OD1-O 3.41Å; H160-R162 VanDerWaalsContact C-N 3.29Å; H160-R162 PolarHBondContact O-N 2.81Å
163N86.1Confident87.5Confident12 Ų1264.9 Ų64.96%0.06430%0.298CS..G310 helixtrans-114.418.6-177.272.6-23.6000112.9Y48 C151 H160 K161Y48-N163 HydrophobicContact CE1-CB 4.23Å; Y48-N163 WeakPolarHBondContact OH-CB 3.04Å; C151-N163 PolarHBondContact O-ND2 2.91Å; H160-N163 VanDerWaalsContact CB-OD1 3.3Å; H160-N163 WeakPolarHBondContact CB-OD1 3.48Å; H160-N163 PolarHBondContact O-OD1 3.06Å; K161-N163 VanDerWaalsContact C-N 3.3Å; K161-N163 PolarHBondContact O-N 2.69Å
164S89.8Confident87.3Confident11 Ų1161.5 Ų61.58%0.07728%0.283CS..EExtended strand (participates in β ladder)trans-121.1148.1175.356.40000111.3P15 A149 H160 K161P15-S164 WeakPolarHBondContact CD-O 3.38Å; A149-S164 CarbonylContact O-C 3.57Å; A149-S164 WeakPolarHBondContact O-CA 3.47Å; A149-S164 WeakPolarHBondContact O-CB 3.04Å; H160-S164 WeakPolarHBondContact O-CB 3.41Å; H160-S164 PolarHBondContact O-N 3.41Å; H160-S164 PolarHBondContact O-OG 3.35Å; K161-S164 PolarHBondContact O-N 2.8Å; K161-S164 PolarHBondContact O-OG 3.43Å
165V93.8Very high87.2Confident2 Ų259 Ų591%0.01227%0.265CS..EExtended strand (participates in β ladder)trans-111.2130.3172.6-178.60000107.1K12 S14 L19 V21 R148 A149 L167K12-V165 HydrophobicContact CB-CG1 3.88Å; K12-V165 HydrophobicContact CD-CG1 4.13Å; K12-V165 HydrophobicContact CG-CG1 3.92Å; S14-V165 VanDerWaalsContact N-CG2 3.29Å; L19-V165 HydrophobicContact CB-CG2 4.31Å; L19-V165 HydrophobicContact CD2-CG2 4.18Å; L19-V165 HydrophobicContact CG-CG2 4.23Å; V21-V165 HydrophobicContact CB-CG1 4.32Å; V21-V165 HydrophobicContact CG2-CB 3.96Å; V21-V165 HydrophobicContact CG2-CG1 3.93Å; V21-V165 HydrophobicContact CG2-CG2 4.33Å; R148-V165 CarbonylContact C-O 3.56Å; R148-V165 VanDerWaalsContact CA-O 3.26Å; R148-V165 WeakPolarHBondContact CA-O 3.45Å; A149-V165 HydrophobicContact CB-CB 4.47Å; A149-V165 PolarHBondContact N-O 3.44Å; A149-V165 PolarHBondContact O-N 2.88Å; V165-L167 HydrophobicContact CG1-CD1 4.34Å; V165-L167 HydrophobicContact CG1-CG 4.21Å
166R92.3Very high87.1Confident79 Ų7956.9 Ų56.930%0.29826%0.257SS..EExtended strand (participates in β ladder)trans-120.8124.3178.3-176.4-176.6176.5-110.9-15.1110.2K12 E146K12-R166 WeakPolarHBondContact CD-O 3.23Å; K12-R166 WeakPolarHBondContact CE-O 3.47Å; K12-R166 PolarHBondContact NZ-O 3.21Å; E146-R166 HydrophobicContact CG-CG 3.89Å; E146-R166 IonicContact OE1-NE 3.85Å; E146-R166 PolarHBondContact OE1-NE 2.99Å; E146-R166 IonicContact OE2-CZ 2.87Å; E146-R166 IonicContact OE2-NE 2.85Å; E146-R166 PolarHBondContact OE2-NE 3.25Å; E146-R166 IonicContact OE2-NH2 2.68Å; E146-R166 PolarHBondContact OE2-NH2 3.03Å
167L91.8Very high86.7Confident3 Ų355.8 Ų55.82%0.01625%0.252CS..EExtended strand (participates in β ladder)trans-125.2134.8-179.3-62.4151.7000108.4K12 V21 L23 E146 I147 V165 F391K12-L167 HydrophobicContact CB-CD2 3.52Å; K12-L167 HydrophobicContact CB-CG 4.4Å; K12-L167 HydrophobicContact CD-CD2 3.81Å; K12-L167 HydrophobicContact CD-CG 4.37Å; K12-L167 HydrophobicContact CG-CD2 4.3Å; V21-L167 HydrophobicContact CB-CD1 3.73Å; V21-L167 HydrophobicContact CG1-CD1 3.42Å; V21-L167 VanDerWaalsContact CG1-CD1 3.42Å; V21-L167 HydrophobicContact CG2-CD1 4.29Å; L23-L167 HydrophobicContact CD1-CD1 3.98Å; E146-L167 CarbonylContact C-O 3.58Å; E146-L167 WeakPolarHBondContact CA-O 3.2Å; I147-L167 HydrophobicContact CB-CB 4.23Å; I147-L167 HydrophobicContact CB-CD1 4.47Å; I147-L167 HydrophobicContact CG2-CD1 4.29Å; I147-L167 PolarHBondContact N-O 2.91Å; I147-L167 PolarHBondContact O-N 3.31Å; V165-L167 HydrophobicContact CG1-CD1 4.34Å; V165-L167 HydrophobicContact CG1-CG 4.21Å; L167-F391 HydrophobicContact CB-CD1 4.28Å; L167-F391 HydrophobicContact CB-CE1 3.93Å; L167-F391 HydrophobicContact CB-CZ 4.06Å; L167-F391 HydrophobicContact CD2-CB 3.55Å; L167-F391 HydrophobicContact CD2-CD1 3.32Å; L167-F391 HydrophobicContact CD2-CD2 3.52Å; L167-F391 HydrophobicContact CD2-CE1 3.81Å; L167-F391 HydrophobicContact CD2-CE2 3.98Å; L167-F391 HydrophobicContact CD2-CG 3.15Å; L167-F391 HydrophobicContact CD2-CZ 4.12Å; L167-F391 HydrophobicContact CG-CD1 4.41Å; L167-F391 HydrophobicContact CG-CG 4.5Å
168V91.5Very high86.4Confident36 Ų3660.8 Ų60.822%0.21827%0.273CS..EExtended strand (participates in β ladder)trans-107.3111.4174.3-178.20000108.4F145 F391F145-V168 CarbonylContact O-C 3.56Å; F145-V168 WeakPolarHBondContact O-CA 3.44Å; V168-F391 VanDerWaalsContact O-CE1 3.29Å; V168-F391 WeakPolarHBondContact O-CE1 3.44Å; V168-F391 WeakPolarHBondContact O-CZ 3.29Å
169I93.4Very high86Confident1 Ų157 Ų571%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-96162.3175.958.4158.9000109.6L23 R26 F28 V38 L58 F145 I147 F391L23-I169 HydrophobicContact CD1-CG2 4.13Å; R26-I169 CarbonylContact O-C 3.56Å; R26-I169 WeakPolarHBondContact O-CA 3.12Å; R26-I169 WeakPolarHBondContact O-CB 3.43Å; F28-I169 HydrophobicContact CD2-CB 4.05Å; F28-I169 HydrophobicContact CD2-CD1 3.66Å; F28-I169 HydrophobicContact CD2-CG1 4.43Å; F28-I169 HydrophobicContact CD2-CG2 4.43Å; F28-I169 HydrophobicContact CE2-CB 3.93Å; F28-I169 HydrophobicContact CE2-CD1 3.76Å; F28-I169 HydrophobicContact CE2-CG1 4.46Å; F28-I169 HydrophobicContact CE2-CG2 3.8Å; V38-I169 HydrophobicContact CG2-CD1 3.87Å; L58-I169 HydrophobicContact CD1-CD1 4.06Å; F145-I169 HydrophobicContact CB-CD1 4.17Å; F145-I169 HydrophobicContact CB-CG1 3.65Å; F145-I169 PolarHBondContact O-N 2.81Å; I147-I169 HydrophobicContact CD1-CD1 3.95Å; I147-I169 HydrophobicContact CD1-CG1 4.21Å; I147-I169 HydrophobicContact CD1-CG2 3.71Å; I147-I169 HydrophobicContact CG1-CD1 4.23Å; I147-I169 HydrophobicContact CG1-CG1 4.32Å; I147-I169 HydrophobicContact CG1-CG2 4.47Å; I169-F391 HydrophobicContact CG2-CE2 4.23Å; I169-F391 HydrophobicContact CG2-CZ 3.8Å
170R92.4Very high85.7Confident20 Ų2056.3 Ų56.38%0.07527%0.271CS..EExtended strand (participates in β ladder)trans-110.8137173.4-65.3-171.8-69.5-171.60.9111R26 D27 F28 S127 V172 D291 D298 R393R26-R170 PolarHBondContact O-N 3.05Å; D27-R170 CarbonylContact C-O 3.52Å; D27-R170 WeakPolarHBondContact CA-O 3.29Å; D27-R170 WeakPolarHBondContact OD1-CB 3.38Å; D27-R170 IonicContact OD1-CZ 2.82Å; D27-R170 IonicContact OD1-NE 3.8Å; D27-R170 PolarHBondContact OD1-NE 3.42Å; D27-R170 IonicContact OD1-NH2 3.6Å; D27-R170 PolarHBondContact OD1-NH2 3.42Å; D27-R170 IonicContact OD2-CZ 2.72Å; D27-R170 IonicContact OD2-NE 3.69Å; D27-R170 IonicContact OD2-NH2 3.91Å; D27-R170 PolarHBondContact OD2-NH2 3.44Å; F28-R170 PolarHBondContact N-O 3.23Å; S127-R170 WeakPolarHBondContact OG-CA 3.47Å; R170-V172 HydrophobicContact CB-CG1 3.96Å; R170-D291 WeakPolarHBondContact CD-O 3.28Å; R170-D291 PolarHBondContact NH1-O 3.38Å; R170-D291 IonicContact NH1-OD1 2.79Å; R170-D298 IonicContact CZ-OD2 3.46Å; R170-D298 PolarHBondContact NH1-O 2.88Å; R170-D298 IonicContact NH2-OD2 3.97Å; R170-D298 PolarHBondContact NH2-OD2 2.79Å; R170-R393 VanDerWaalsContact CZ-NH1 3.28Å
171K91.8Very high86Confident2 Ų256 Ų561%0.00928%0.28CS..EExtended strand (participates in β ladder)trans-93.1112.9160.6-177177.9-175.3-100.60107.6F28 D30 I120 L124 C126 S127 F145F28-K171 CarbonylContact O-C 3.59Å; F28-K171 WeakPolarHBondContact O-CA 3.35Å; D30-K171 HydrophobicContact CB-CG 4.43Å; D30-K171 WeakPolarHBondContact OD2-CE 3.46Å; D30-K171 IonicContact OD2-NZ 3.17Å; D30-K171 PolarHBondContact OD2-NZ 3.48Å; I120-K171 HydrophobicContact CG2-CD 3.97Å; L124-K171 PolarHBondContact O-NZ 2.8Å; C126-K171 WeakPolarHBondContact CB-O 3.19Å; S127-K171 PolarHBondContact N-O 3Å; S127-K171 PolarHBondContact OG-N 2.9Å; F145-K171 HydrophobicContact CD2-CB 3.94Å; F145-K171 HydrophobicContact CE1-CD 4.27Å; F145-K171 HydrophobicContact CE2-CB 3.56Å; F145-K171 HydrophobicContact CE2-CD 4.04Å; F145-K171 HydrophobicContact CE2-CG 4.45Å; F145-K171 HydrophobicContact CZ-CB 3.89Å; F145-K171 HydrophobicContact CZ-CD 3.58Å; F145-K171 HydrophobicContact CZ-CG 4.39Å
172V89.6Confident86.2Confident15 Ų1556.3 Ų56.39%0.09128%0.283CS..EExtended strand (participates in β ladder)trans-114.5149.6-177.3-62.30000110.2D27 F28 V29 D30 R170D27-V172 HydrophobicContact CB-CG1 4.38Å; D27-V172 HydrophobicContact CB-CG2 4.23Å; F28-V172 PolarHBondContact O-N 3.06Å; V29-V172 CarbonylContact C-O 3.51Å; V29-V172 WeakPolarHBondContact CA-O 3.48Å; V29-V172 HydrophobicContact CG2-CG2 4.41Å; D30-V172 PolarHBondContact N-O 2.69Å; R170-V172 HydrophobicContact CB-CG1 3.96Å
173Q86.6Confident86.5Confident8 Ų848.2 Ų48.24%0.03725%0.254CS..EExtended strand (participates in β ladder)trans-114127.4177.3-155.9174.925.600108.8D30 I306 M345D30-Q173 HydrophobicContact CB-CG 4.37Å; Q173-I306 PolarHBondContact NE2-O 2.67Å; Q173-I306 VanDerWaalsContact OE1-N 3.13Å; Q173-M345 HydrophobicContact CB-CE 3.65Å; Q173-M345 HydrophobicContact CG-CE 3.49Å; Q173-M345 VanDerWaalsContact CG-CE 3.49Å
174Y84.4Confident86.8Confident46 Ų4652.8 Ų52.818%0.1828%0.277CS..BIsolated β-bridgetrans-93.2158.2173.7-69.8-45.6000111.7V29 M345 H346 P347 K348 P349V29-Y174 HydrophobicContact CB-CD2 4.17Å; V29-Y174 HydrophobicContact CB-CE2 4.13Å; V29-Y174 HydrophobicContact CG1-CD2 3.28Å; V29-Y174 HydrophobicContact CG1-CE2 3.74Å; V29-Y174 HydrophobicContact CG1-CG 4.12Å; V29-Y174 HydrophobicContact CG2-CD2 3.77Å; V29-Y174 HydrophobicContact CG2-CE2 3.24Å; Y174-M345 WeakPolarHBondContact O-CE 3.25Å; Y174-H346 HydrophobicContact CD1-CB 3.48Å; Y174-H346 VanDerWaalsContact CD1-CB 3.48Å; Y174-H346 HydrophobicContact CE1-CB 3.55Å; Y174-P347 VanDerWaalsContact CD1-O 3.26Å; Y174-P347 WeakPolarHBondContact CD1-O 3.33Å; Y174-P347 WeakPolarHBondContact CE1-O 3.32Å; Y174-K348 HydrophobicContact CD2-CG 4.42Å; Y174-K348 HydrophobicContact CG-CG 4.31Å; Y174-P349 HydrophobicContact CE2-CG 3.63Å; Y174-P349 VanDerWaalsContact CZ-CD 3.47Å
175A82.5Confident87.1Confident2 Ų254.6 Ų54.62%0.01729%0.287CS..PPolyproline II helixtrans-54.6136.5174.900000112.1L208 Y210 M345 H346 K348A175-L208 HydrophobicContact CB-CD1 3.56Å; A175-L208 HydrophobicContact CB-CD2 3.71Å; A175-L208 HydrophobicContact CB-CG 4.24Å; A175-Y210 HydrophobicContact CB-CD1 4.41Å; A175-Y210 HydrophobicContact CB-CE1 3.54Å; A175-M345 HydrophobicContact CB-CB 4.15Å; A175-H346 PolarHBondContact N-O 3.17Å; A175-K348 VanDerWaalsContact O-CE 3.26Å; A175-K348 WeakPolarHBondContact O-CE 2.98Å
176P80.9Confident87.1Confident45 Ų4560.4 Ų60.429%0.29231%0.314SS..PPolyproline II helixtrans-60.1151.416626.4-35.5000111.1K178 L208 I306P176-K178 VanDerWaalsContact C-N 3.33Å; P176-K178 PolarHBondContact O-N 3.46Å; P176-L208 HydrophobicContact CG-CD1 3.93Å; P176-I306 HydrophobicContact CG-CD1 4.38Å
177E72.5Confident87.2Confident157 Ų15759 Ų5973%0.73432%0.315SS*.SBendtrans-70.5-27.8-177.2-77.8166-153.400113.8P179 K348E177-P179 WeakPolarHBondContact O-CD 3.47Å; E177-K348 HydrophobicContact CG-CD 4.25Å; E177-K348 IonicContact OE1-NZ 2.69Å; E177-K348 PolarHBondContact OE1-NZ 2.78Å
178K76.6Confident87.2Confident183 Ų18362.8 Ų62.880%0.79634%0.338SS*.SBendtrans-98.8111.3-179.2-66.3-176.5-178.1178.20108.8P176P176-K178 VanDerWaalsContact C-N 3.33Å; P176-K178 PolarHBondContact O-N 3.46Å
179P72.8Confident87Confident102 Ų10265.9 Ų65.966%0.66235%0.346SS*.  trans-65.3138.5169.427.9-31.9000108.7E177E177-P179 WeakPolarHBondContact O-CD 3.47Å
180G79.8Confident86.7Confident33 Ų3370.1 Ų70.134%0.3438%0.375SS..  trans-83.3-174.3173.400000112.6E207G180-E207 WeakPolarHBondContact CA-OE2 3.47Å; G180-E207 PolarHBondContact N-OE2 3.28Å
181P88Confident86.3Confident108 Ų10870 Ų7070%0.70138%0.375SS*.PPolyproline II helixtrans-68.5153.7-172.429.9-35.2000112.2P183P181-P183 VanDerWaalsContact O-CD 3.28Å; P181-P183 WeakPolarHBondContact O-CD 3.22Å
182Q88.6Confident85.4Confident131 Ų13177.6 Ų77.661%0.61242%0.415SS*.PPolyproline II helixtrans-60.5123.4177.6-73.1179.3-16.500111.5M184 D205Q182-M184 PolarHBondContact O-N 2.98Å; Q182-D205 WeakPolarHBondContact CG-O 3.42Å; Q182-D205 PolarHBondContact NE2-O 3.17Å
183P91.8Very high84.4Confident16 Ų1685.7 Ų85.710%0.10445%0.454CS..PPolyproline II helixtrans-64.5127.4174.1-22.733.3000111.2P181 S203 L204 E207 L340P181-P183 VanDerWaalsContact O-CD 3.28Å; P181-P183 WeakPolarHBondContact O-CD 3.22Å; P183-S203 CarbonylContact O-C 3.49Å; P183-S203 VanDerWaalsContact O-CA 3.24Å; P183-S203 WeakPolarHBondContact O-CA 3.38Å; P183-L204 HydrophobicContact CB-CB 4.45Å; P183-L204 HydrophobicContact CB-CD1 4.27Å; P183-L204 HydrophobicContact CB-CG 4.44Å; P183-L204 HydrophobicContact CG-CB 4.38Å; P183-L204 HydrophobicContact CG-CD1 4.21Å; P183-L204 PolarHBondContact O-N 2.77Å; P183-E207 HydrophobicContact CG-CB 4.11Å; P183-E207 HydrophobicContact CG-CG 4.19Å; P183-L340 HydrophobicContact CB-CB 4.48Å; P183-L340 HydrophobicContact CB-CD2 4.23Å; P183-L340 WeakPolarHBondContact O-CD2 3.47Å
184M92.8Very high83.6Confident108 Ų10886 Ų8653%0.53246%0.457SS..EExtended strand (participates in β ladder)trans-138.9132.7176.3178.1177168.900109.7Q182 E201 A202Q182-M184 PolarHBondContact O-N 2.98Å; M184-E201 HydrophobicContact CE-CG 3.79Å; M184-E201 WeakPolarHBondContact CE-OE1 3.5Å; M184-A202 WeakPolarHBondContact CA-O 3.44Å
185V94.7Very high83.2Confident50 Ų5092.2 Ų92.230%0.30349%0.493SS..EExtended strand (participates in β ladder)trans-139.6132.5179179.70000109.2A202 V338 L340V185-A202 PolarHBondContact N-O 3.06Å; V185-A202 PolarHBondContact O-N 3.37Å; V185-V338 HydrophobicContact CG1-CB 4.05Å; V185-V338 HydrophobicContact CG1-CG1 4.07Å; V185-L340 HydrophobicContact CB-CD2 4.4Å; V185-L340 HydrophobicContact CB-CG 4.25Å; V185-L340 HydrophobicContact CG2-CD2 4.22Å; V185-L340 HydrophobicContact CG2-CG 4.02Å
186E94.2Very high83.3Confident123 Ų12399.2 Ų99.258%0.57552%0.52SS*.EExtended strand (participates in β ladder)trans-119.5151.7174.660.7173.6-154.800111.6H199 L200 E201E186-H199 IonicContact OE2-CE1 2.77Å; E186-H199 PolarHBondContact OE2-CE1 2.86Å; E186-H199 IonicContact OE2-NE2 2.79Å; E186-L200 CarbonylContact C-O 3.57Å; E186-L200 WeakPolarHBondContact CA-O 3.2Å; E186-E201 HydrophobicContact CB-CB 4.37Å; E186-E201 HydrophobicContact CB-CG 4.44Å
187T93.8Very high83.7Confident50 Ų5098.9 Ų98.931%0.30752%0.518SS..EExtended strand (participates in β ladder)trans-146.9144.9172.4-164.10000110.4L200 V336 V338T187-L200 HydrophobicContact CG2-CB 4.08Å; T187-L200 HydrophobicContact CG2-CD2 4.36Å; T187-L200 PolarHBondContact N-O 3.33Å; T187-L200 PolarHBondContact O-N 3.32Å; T187-V336 HydrophobicContact CG2-CG1 3.54Å; T187-V338 HydrophobicContact CG2-CG1 3.38Å
188T91.7Very high84.7Confident82 Ų8291.4 Ų91.450%0.50348%0.483SS..EExtended strand (participates in β ladder)trans-121.1127177.1-57.80000108.7S197 H199T188-S197 VanDerWaalsContact CG2-CB 3.45Å; T188-H199 PolarHBondContact OG1-ND1 3.09Å
189R88.9Confident85.5Confident102 Ų10284.4 Ų84.439%0.38545%0.453SS..EExtended strand (participates in β ladder)trans-118.1124.2176.5-167170.3-168.7163.53.7111F191 S197 L198 G334 D335 V336R189-F191 HydrophobicContact CG-CE1 4.48Å; R189-S197 WeakPolarHBondContact O-CA 3.31Å; R189-L198 PolarHBondContact N-O 3.14Å; R189-L198 PolarHBondContact O-N 3.05Å; R189-G334 PolarHBondContact NH1-O 3.05Å; R189-D335 PolarHBondContact NH1-O 3Å; R189-V336 HydrophobicContact CB-CG2 3.88Å; R189-V336 HydrophobicContact CG-CG2 4.35Å
190S86.9Confident86.6Confident89 Ų8979.6 Ų79.662%0.62242%0.422SS*.EExtended strand (participates in β ladder)trans-87.9148.7163.653.40000109.9
191F82.8Confident87.4Confident18 Ų1880.1 Ų80.18%0.07942%0.416CS..  trans-113.1147.6177.1-63.5-80.1000110.2R189 M193 S194 L198 K227 V330 V336R189-F191 HydrophobicContact CG-CE1 4.48Å; F191-M193 PolarHBondContact O-N 2.99Å; F191-S194 PolarHBondContact O-N 3.41Å; F191-L198 HydrophobicContact CE2-CB 3.78Å; F191-L198 HydrophobicContact CE2-CD2 4.11Å; F191-L198 HydrophobicContact CZ-CB 4.45Å; F191-L198 HydrophobicContact CZ-CD2 4.08Å; F191-K227 HydrophobicContact CB-CD 4.1Å; F191-K227 HydrophobicContact CD1-CD 3.74Å; F191-K227 HydrophobicContact CD2-CD 3.8Å; F191-K227 HydrophobicContact CD2-CG 4.42Å; F191-K227 HydrophobicContact CE1-CD 4.07Å; F191-K227 HydrophobicContact CE2-CD 4.12Å; F191-K227 HydrophobicContact CG-CD 3.6Å; F191-K227 HydrophobicContact CZ-CD 4.26Å; F191-V330 HydrophobicContact CE1-CG1 4.22Å; F191-V330 HydrophobicContact CE2-CG1 4.38Å; F191-V330 HydrophobicContact CZ-CB 4.26Å; F191-V330 HydrophobicContact CZ-CG1 3.8Å; F191-V330 HydrophobicContact CZ-CG2 4.09Å; F191-V336 HydrophobicContact CZ-CG2 4.3Å
192L73.8Confident87.9Confident161 Ų16175 Ų7584%0.84338%0.383SS*.THydrogen-bonded Turntrans-57.1132.6171.6-146.975.5000109.2S194L192-S194 VanDerWaalsContact C-N 3.35Å
193M67.6Low88.2Confident186 Ų18669.8 Ų69.892%0.91636%0.36SS*.THydrogen-bonded Turntrans67.521.8-175-49.6-175.6175.600115.9F191F191-M193 PolarHBondContact O-N 2.99Å
194S70.5Confident88.4Confident13 Ų1369 Ų699%0.09136%0.355CS..  trans-131.1117.9169.2175.90000109.6F191 L192 R196F191-S194 PolarHBondContact O-N 3.41Å; L192-S194 VanDerWaalsContact C-N 3.35Å; S194-R196 PolarHBondContact O-N 3.17Å; S194-R196 PolarHBondContact OG-N 3.34Å; S194-R196 PolarHBondContact OG-O 3.27Å
195D75.1Confident88.5Confident177 Ų17766 Ų6695%0.94734%0.342SS*.SBendtrans-73.8-5.1177.2-58.1-27.8000112.8
196R85.4Confident88.4Confident150 Ų15067.8 Ų67.857%0.56635%0.345SS*.SBendtrans-116.8152.4-179.7-59.9-177-179.3-173.4-0.1111.6S194 N224S194-R196 PolarHBondContact O-N 3.17Å; S194-R196 PolarHBondContact OG-N 3.34Å; S194-R196 PolarHBondContact OG-O 3.27Å; R196-N224 HydrophobicContact CB-CB 4.14Å; R196-N224 WeakPolarHBondContact CB-O 3.37Å; R196-N224 WeakPolarHBondContact CD-O 3.19Å
197S89.5Confident88.3Confident37 Ų3764.9 Ų64.926%0.25933%0.331SS..EExtended strand (participates in β ladder)trans-103.8159.8-173.557.70000113.5T188 R189 N224 S225T188-S197 VanDerWaalsContact CG2-CB 3.45Å; R189-S197 WeakPolarHBondContact O-CA 3.31Å; S197-N224 CarbonylContact O-C 3.58Å; S197-N224 WeakPolarHBondContact O-CA 3.47Å; S197-N224 WeakPolarHBondContact O-CB 3.42Å; S197-N224 PolarHBondContact O-N 3.22Å; S197-N224 VanDerWaalsContact O-N 3.11Å; S197-S225 PolarHBondContact O-N 2.8Å
198L92.6Very high88.2Confident0 Ų063.1 Ų63.10%032%0.32CS..EExtended strand (participates in β ladder)trans-104.4118.8166.6174.864.3000108R189 F191 V221 N223 V229 L328 V330 V336R189-L198 PolarHBondContact N-O 3.14Å; R189-L198 PolarHBondContact O-N 3.05Å; F191-L198 HydrophobicContact CE2-CB 3.78Å; F191-L198 HydrophobicContact CE2-CD2 4.11Å; F191-L198 HydrophobicContact CZ-CB 4.45Å; F191-L198 HydrophobicContact CZ-CD2 4.08Å; L198-V221 HydrophobicContact CD1-CG1 3.56Å; L198-N223 HydrophobicContact CD1-CB 3.59Å; L198-V229 HydrophobicContact CD1-CG2 4.28Å; L198-V229 HydrophobicContact CD2-CG2 4.11Å; L198-L328 HydrophobicContact CD2-CD1 4.19Å; L198-V330 HydrophobicContact CD2-CG2 3.78Å; L198-V336 HydrophobicContact CD2-CG2 3.87Å
199H94.5Very high88.3Confident37 Ų3759.2 Ų59.217%0.17130%0.296CS..EExtended strand (participates in β ladder)trans-101.9128.3177-176.480.2000109.6E186 T188 V221 T222E186-H199 IonicContact OE2-CE1 2.77Å; E186-H199 PolarHBondContact OE2-CE1 2.86Å; E186-H199 IonicContact OE2-NE2 2.79Å; T188-H199 PolarHBondContact OG1-ND1 3.09Å; H199-V221 CarbonylContact O-C 3.45Å; H199-V221 WeakPolarHBondContact O-CA 3.36Å; H199-T222 PolarHBondContact N-O 2.98Å; H199-T222 PolarHBondContact O-N 3.48Å
200L96.3Very high88.5Confident0 Ų058.6 Ų58.60%029%0.294CS..EExtended strand (participates in β ladder)trans-121.9121.9176.1166.164.5000108E186 T187 V219 V221 V326 L328 V336 V338E186-L200 CarbonylContact C-O 3.57Å; E186-L200 WeakPolarHBondContact CA-O 3.2Å; T187-L200 HydrophobicContact CG2-CB 4.08Å; T187-L200 HydrophobicContact CG2-CD2 4.36Å; T187-L200 PolarHBondContact N-O 3.33Å; T187-L200 PolarHBondContact O-N 3.32Å; L200-V219 HydrophobicContact CD1-CG1 3.89Å; L200-V221 HydrophobicContact CD1-CG2 3.96Å; L200-V326 HydrophobicContact CD1-CG1 4.23Å; L200-L328 HydrophobicContact CB-CD1 3.93Å; L200-L328 HydrophobicContact CD1-CD1 3.96Å; L200-L328 HydrophobicContact CD1-CD2 4.3Å; L200-L328 HydrophobicContact CD1-CG 4.14Å; L200-L328 HydrophobicContact CD2-CD1 4.02Å; L200-L328 HydrophobicContact CD2-CG 3.94Å; L200-L328 HydrophobicContact CG-CD1 4.18Å; L200-L328 HydrophobicContact CG-CG 4.49Å; L200-V336 HydrophobicContact CB-CG1 4.22Å; L200-V336 HydrophobicContact CD2-CG1 3.95Å; L200-V338 HydrophobicContact CD2-CG1 4.12Å; L200-V338 HydrophobicContact CD2-CG2 3.96Å; L200-V338 HydrophobicContact CG-CG1 4.4Å; L200-V338 HydrophobicContact CG-CG2 4.24Å
201E96.6Very high88.7Confident45 Ų4556 Ų5621%0.2127%0.272CS..EExtended strand (participates in β ladder)trans-119.4135.5174.5-179.5-165.4160.900107.8M184 E186 H220M184-E201 HydrophobicContact CE-CG 3.79Å; M184-E201 WeakPolarHBondContact CE-OE1 3.5Å; E186-E201 HydrophobicContact CB-CB 4.37Å; E186-E201 HydrophobicContact CB-CG 4.44Å; E201-H220 HydrophobicContact CB-CB 4.15Å; E201-H220 PolarHBondContact N-O 3.04Å; E201-H220 PolarHBondContact O-N 2.78Å; E201-H220 IonicContact OE2-CE1 2.78Å; E201-H220 IonicContact OE2-CG 3.72Å; E201-H220 IonicContact OE2-ND1 3.33Å; E201-H220 PolarHBondContact OE2-ND1 3.37Å
202A96.9Very high89.1Confident1 Ų157.4 Ų57.41%0.00829%0.292CS..EExtended strand (participates in β ladder)trans-136.3146.9172.400000110.3M184 V185 N218 V326 V338 L340M184-A202 WeakPolarHBondContact CA-O 3.44Å; V185-A202 PolarHBondContact N-O 3.06Å; V185-A202 PolarHBondContact O-N 3.37Å; A202-N218 CarbonylContact C-O 3.51Å; A202-N218 WeakPolarHBondContact CA-O 3.06Å; A202-V326 HydrophobicContact CB-CG2 4.01Å; A202-V338 HydrophobicContact CB-CG2 3.84Å; A202-L340 HydrophobicContact CB-CD1 3.73Å; A202-L340 WeakPolarHBondContact O-CD2 3.15Å
203S96.6Very high90Very high21 Ų2151.5 Ų51.515%0.14726%0.26CS..EExtended strand (participates in β ladder)trans-143.8155.9175.760.40000112P183 N218P183-S203 CarbonylContact O-C 3.49Å; P183-S203 VanDerWaalsContact O-CA 3.24Å; P183-S203 WeakPolarHBondContact O-CA 3.38Å; S203-N218 PolarHBondContact N-O 2.85Å; S203-N218 PolarHBondContact O-N 3.26Å; S203-N218 WeakPolarHBondContact OG-CB 3.24Å; S203-N218 PolarHBondContact OG-ND2 3.05Å
204L96.1Very high91.3Very high0 Ų045.7 Ų45.70%024%0.236CC..EExtended strand (participates in β ladder)trans-107.6151.3174.6-60-177.9000110.1P183 K206 Y209 I215 V217 V324 L340 F342P183-L204 HydrophobicContact CB-CB 4.45Å; P183-L204 HydrophobicContact CB-CD1 4.27Å; P183-L204 HydrophobicContact CB-CG 4.44Å; P183-L204 HydrophobicContact CG-CB 4.38Å; P183-L204 HydrophobicContact CG-CD1 4.21Å; P183-L204 PolarHBondContact O-N 2.77Å; L204-K206 VanDerWaalsContact C-N 3.3Å; L204-K206 WeakPolarHBondContact CB-O 3.42Å; L204-K206 PolarHBondContact O-N 3.29Å; L204-Y209 HydrophobicContact CD1-CE2 4.45Å; L204-I215 HydrophobicContact CD2-CG2 4.15Å; L204-V217 HydrophobicContact CD2-CB 4.24Å; L204-V217 HydrophobicContact CD2-CG1 4.16Å; L204-V217 HydrophobicContact CD2-CG2 3.79Å; L204-V324 HydrophobicContact CD1-CG2 4.16Å; L204-V324 HydrophobicContact CD2-CB 4.31Å; L204-V324 HydrophobicContact CD2-CG1 4.48Å; L204-V324 HydrophobicContact CD2-CG2 3.97Å; L204-L340 HydrophobicContact CD1-CB 4.12Å; L204-L340 HydrophobicContact CG-CB 4.3Å; L204-L340 HydrophobicContact CG-CD2 4.25Å; L204-F342 HydrophobicContact CD1-CB 3.86Å; L204-F342 HydrophobicContact CD1-CD1 4.43Å; L204-F342 HydrophobicContact CD1-CG 4.42Å
205D93.4Very high92.6Very high45 Ų4545.1 Ų45.124%0.24123%0.232CC..SBendtrans-71-26.6177.363.9-58.9000113Q182 Y209 S216Q182-D205 WeakPolarHBondContact CG-O 3.42Å; Q182-D205 PolarHBondContact NE2-O 3.17Å; D205-Y209 PolarHBondContact N-OH 2.91Å; D205-Y209 WeakPolarHBondContact OD1-CE1 3.49Å; D205-Y209 PolarHBondContact OD1-OH 3.45Å; D205-S216 PolarHBondContact N-O 2.99Å; D205-S216 WeakPolarHBondContact OD1-CB 3.4Å; D205-S216 PolarHBondContact OD1-N 3.44Å; D205-S216 VanDerWaalsContact OD1-N 3.15Å
206K92.4Very high93.6Very high87 Ų8738.2 Ų38.238%0.37820%0.198SC..  trans-143.8158.2178.9-57176.3-165.4172.80110.7L204 Y209 E213L204-K206 VanDerWaalsContact C-N 3.3Å; L204-K206 WeakPolarHBondContact CB-O 3.42Å; L204-K206 PolarHBondContact O-N 3.29Å; K206-Y209 HydrophobicContact CB-CE1 4.16Å; K206-Y209 HydrophobicContact CB-CE2 4.25Å; K206-Y209 HydrophobicContact CD-CE1 4.49Å; K206-Y209 PolarHBondContact N-OH 3.28Å; K206-Y209 WeakPolarHBondContact O-CE2 3.22Å; K206-Y209 PolarHBondContact O-OH 2.84Å; K206-E213 IonicContact NZ-OE1 2.94Å; K206-E213 PolarHBondContact NZ-OE1 3.43Å
207E91.9Very high94.1Very high61 Ų6131 Ų3129%0.28517%0.171SC..SBendtrans-82.6-35.4167.5-172.7-178.8-165.600111.9G180 P183 F342 I343G180-E207 WeakPolarHBondContact CA-OE2 3.47Å; G180-E207 PolarHBondContact N-OE2 3.28Å; P183-E207 HydrophobicContact CG-CB 4.11Å; P183-E207 HydrophobicContact CG-CG 4.19Å; E207-F342 CarbonylContact O-C 3.58Å; E207-F342 WeakPolarHBondContact O-CA 3.41Å; E207-F342 WeakPolarHBondContact O-CB 3.48Å; E207-I343 PolarHBondContact O-N 2.78Å
208L92.4Very high94.5Very high13 Ų1331.8 Ų31.87%0.06817%0.172CC..EExtended strand (participates in β ladder)trans-110.9130.2-176-173146.8000110.7A175 P176 Y210 I343 M345A175-L208 HydrophobicContact CB-CD1 3.56Å; A175-L208 HydrophobicContact CB-CD2 3.71Å; A175-L208 HydrophobicContact CB-CG 4.24Å; P176-L208 HydrophobicContact CG-CD1 3.93Å; L208-Y210 HydrophobicContact CD2-CD1 4.2Å; L208-Y210 HydrophobicContact CD2-CE1 3.74Å; L208-I343 CarbonylContact C-O 3.58Å; L208-I343 WeakPolarHBondContact CA-O 3.48Å; L208-I343 HydrophobicContact CB-CB 4.46Å; L208-I343 HydrophobicContact CD1-CG2 3.95Å; L208-I343 HydrophobicContact CG-CB 4.43Å; L208-I343 HydrophobicContact CG-CG2 4.17Å; L208-M345 HydrophobicContact CD1-SD 4.45Å
209Y93.6Very high94.7Very high0 Ų031.8 Ų31.80%017%0.172CC..EExtended strand (participates in β ladder)trans-125149174.9-64.3-88.7000110.7L204 D205 K206 E213 I215 F342 I343 L344 M345L204-Y209 HydrophobicContact CD1-CE2 4.45Å; D205-Y209 PolarHBondContact N-OH 2.91Å; D205-Y209 WeakPolarHBondContact OD1-CE1 3.49Å; D205-Y209 PolarHBondContact OD1-OH 3.45Å; K206-Y209 HydrophobicContact CB-CE1 4.16Å; K206-Y209 HydrophobicContact CB-CE2 4.25Å; K206-Y209 HydrophobicContact CD-CE1 4.49Å; K206-Y209 PolarHBondContact N-OH 3.28Å; K206-Y209 WeakPolarHBondContact O-CE2 3.22Å; K206-Y209 PolarHBondContact O-OH 2.84Å; Y209-E213 HydrophobicContact CD1-CG 4.38Å; Y209-I215 HydrophobicContact CD1-CB 4.45Å; Y209-I215 HydrophobicContact CD1-CG1 3.87Å; Y209-I215 HydrophobicContact CD2-CG1 4.22Å; Y209-I215 HydrophobicContact CE1-CB 4.18Å; Y209-I215 HydrophobicContact CE1-CG1 4.09Å; Y209-I215 HydrophobicContact CE1-CG2 4.14Å; Y209-I215 HydrophobicContact CE2-CG1 4.4Å; Y209-I215 HydrophobicContact CE2-CG2 4.02Å; Y209-I215 HydrophobicContact CG-CG1 3.93Å; Y209-F342 HydrophobicContact CD2-CB 4.34Å; Y209-F342 AromaticContact CD2-CD2 3.66Å; Y209-F342 HydrophobicContact CD2-CD2 3.66Å; Y209-F342 HydrophobicContact CD2-CE2 4.31Å; Y209-F342 HydrophobicContact CD2-CG 4.26Å; Y209-F342 HydrophobicContact CE2-CB 4.33Å; Y209-F342 HydrophobicContact CE2-CD2 4.31Å; Y209-F342 HydrophobicContact CE2-CG 4.49Å; Y209-I343 PolarHBondContact N-O 2.95Å; Y209-L344 WeakPolarHBondContact O-CA 3.41Å; Y209-M345 PolarHBondContact O-N 3.3Å
210Y92.9Very high94.8Very high90 Ų9032.9 Ų32.935%0.35318%0.177SC..EExtended strand (participates in β ladder)trans-88.1154.3171.6-59.4-61.5000112.2A175 L208 G212 E213 M345 P347A175-Y210 HydrophobicContact CB-CD1 4.41Å; A175-Y210 HydrophobicContact CB-CE1 3.54Å; L208-Y210 HydrophobicContact CD2-CD1 4.2Å; L208-Y210 HydrophobicContact CD2-CE1 3.74Å; Y210-G212 PolarHBondContact O-N 3.33Å; Y210-E213 WeakPolarHBondContact CD2-OE2 3.24Å; Y210-E213 PolarHBondContact N-OE2 2.49Å; Y210-E213 WeakPolarHBondContact O-CB 3.44Å; Y210-E213 PolarHBondContact O-N 3.49Å; Y210-M345 VanDerWaalsContact CA-O 3.31Å; Y210-M345 WeakPolarHBondContact CA-O 3.43Å; Y210-P347 HydrophobicContact CD1-CB 3.73Å; Y210-P347 HydrophobicContact CD1-CG 4.32Å; Y210-P347 VanDerWaalsContact CE1-CA 3.44Å; Y210-P347 HydrophobicContact CE1-CB 3.75Å; Y210-P347 HydrophobicContact CG-CB 4.22Å
211H91.9Very high94.8Very high33 Ų3332.9 Ų32.915%0.15318%0.177CC..THydrogen-bonded Turntrans-56129.2171.1-70.5-70.7000110.8E213 L301 S303 M345 H346H211-E213 VanDerWaalsContact C-N 3.28Å; H211-E213 PolarHBondContact O-N 3.21Å; H211-L301 PolarHBondContact CE1-O 3.33Å; H211-L301 PolarHBondContact NE2-O 3.41Å; H211-S303 PolarHBondContact NE2-OG 2.58Å; H211-M345 PolarHBondContact CD2-O 2.84Å; H211-M345 PolarHBondContact N-O 3.23Å; H211-H346 AromaticContact CD2-CD2 3.78Å; H211-H346 AromaticContact CD2-CE1 3.43Å; H211-H346 PolarHBondContact CD2-CE1 3Å; H211-H346 VanDerWaalsContact CD2-CE1 3.43Å; H211-H346 AromaticContact CD2-CG 3.72Å; H211-H346 AromaticContact CD2-ND1 3.51Å; H211-H346 AromaticContact CD2-NE2 3.6Å; H211-H346 AromaticContact NE2-NE2 3.91Å
212G90.4Very high94.7Very high48 Ų4832.2 Ų32.250%0.49518%0.176SC..THydrogen-bonded Turntrans83.3-9.3-175.900000115.2Y210 T276Y210-G212 PolarHBondContact O-N 3.33Å; G212-T276 WeakPolarHBondContact O-CG2 3.38Å
213E93.6Very high94.5Very high37 Ų3732.1 Ų32.117%0.17318%0.175CC..PPolyproline II helixtrans-72.8136.7175.4-168.6179176.800111.1K206 Y209 Y210 H211K206-E213 IonicContact NZ-OE1 2.94Å; K206-E213 PolarHBondContact NZ-OE1 3.43Å; Y209-E213 HydrophobicContact CD1-CG 4.38Å; Y210-E213 WeakPolarHBondContact CD2-OE2 3.24Å; Y210-E213 PolarHBondContact N-OE2 2.49Å; Y210-E213 WeakPolarHBondContact O-CB 3.44Å; Y210-E213 PolarHBondContact O-N 3.49Å; H211-E213 VanDerWaalsContact C-N 3.28Å; H211-E213 PolarHBondContact O-N 3.21Å
214P95.3Very high94.3Very high64 Ų6434.5 Ų34.542%0.41619%0.186SC..PPolyproline II helixtrans-70.3132.6172.627.6-32.9000111.8T274P214-T274 HydrophobicContact CB-CG2 3.52Å
215I96.3Very high93.9Very high1 Ų134.6 Ų34.61%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-94.1122.9176.9-57.5174.5000108.9L204 Y209 V217 V236 T274 L275 P277 V324 F342L204-I215 HydrophobicContact CD2-CG2 4.15Å; Y209-I215 HydrophobicContact CD1-CB 4.45Å; Y209-I215 HydrophobicContact CD1-CG1 3.87Å; Y209-I215 HydrophobicContact CD2-CG1 4.22Å; Y209-I215 HydrophobicContact CE1-CB 4.18Å; Y209-I215 HydrophobicContact CE1-CG1 4.09Å; Y209-I215 HydrophobicContact CE1-CG2 4.14Å; Y209-I215 HydrophobicContact CE2-CG1 4.4Å; Y209-I215 HydrophobicContact CE2-CG2 4.02Å; Y209-I215 HydrophobicContact CG-CG1 3.93Å; I215-V217 HydrophobicContact CG2-CG2 4.13Å; I215-V236 HydrophobicContact CD1-CG2 4.3Å; I215-T274 VanDerWaalsContact O-CA 3.31Å; I215-T274 WeakPolarHBondContact O-CA 3.4Å; I215-L275 WeakPolarHBondContact CB-O 3.31Å; I215-L275 PolarHBondContact N-O 2.79Å; I215-L275 PolarHBondContact O-N 3.41Å; I215-P277 HydrophobicContact CD1-CG 3.88Å; I215-V324 HydrophobicContact CG2-CG2 4.31Å; I215-F342 HydrophobicContact CD1-CD2 4.43Å; I215-F342 HydrophobicContact CD1-CE1 4.29Å; I215-F342 HydrophobicContact CD1-CE2 3.66Å; I215-F342 HydrophobicContact CD1-CZ 3.57Å
216S96.4Very high93.6Very high32 Ų3237.1 Ų37.122%0.22420%0.204CC..EExtended strand (participates in β ladder)trans-96.7121.7175.9-55.90000110.7D205D205-S216 PolarHBondContact N-O 2.99Å; D205-S216 WeakPolarHBondContact OD1-CB 3.4Å; D205-S216 PolarHBondContact OD1-N 3.44Å; D205-S216 VanDerWaalsContact OD1-N 3.15Å
217V97.3Very high93.4Very high0 Ų034.9 Ų34.90%019%0.194CC..EExtended strand (participates in β ladder)trans-113.7108.8-177.3-170.50000108.6L204 I215 V219 I234 V272 Y273 L275 V324 V326L204-V217 HydrophobicContact CD2-CB 4.24Å; L204-V217 HydrophobicContact CD2-CG1 4.16Å; L204-V217 HydrophobicContact CD2-CG2 3.79Å; I215-V217 HydrophobicContact CG2-CG2 4.13Å; V217-V219 HydrophobicContact CG1-CG2 4.11Å; V217-I234 HydrophobicContact CG2-CG2 4.36Å; V217-V272 WeakPolarHBondContact O-CA 3.28Å; V217-Y273 PolarHBondContact N-O 3.48Å; V217-Y273 PolarHBondContact O-N 3.33Å; V217-L275 HydrophobicContact CG2-CD1 4.07Å; V217-V324 HydrophobicContact CG1-CG1 3.99Å; V217-V324 HydrophobicContact CG2-CG1 3.79Å; V217-V326 HydrophobicContact CG1-CG2 3.85Å
218N96.8Very high93.4Very high53 Ų5334.3 Ų34.328%0.28320%0.195SC..EExtended strand (participates in β ladder)trans-81126.8173.2-54.5-44.7000108.4A202 S203 V272A202-N218 CarbonylContact C-O 3.51Å; A202-N218 WeakPolarHBondContact CA-O 3.06Å; S203-N218 PolarHBondContact N-O 2.85Å; S203-N218 PolarHBondContact O-N 3.26Å; S203-N218 WeakPolarHBondContact OG-CB 3.24Å; S203-N218 PolarHBondContact OG-ND2 3.05Å; N218-V272 WeakPolarHBondContact OD1-CG1 3.31Å; N218-V272 WeakPolarHBondContact OD1-CG2 3.46Å
219V97.1Very high93.5Very high0 Ų033.7 Ų33.70%019%0.192CC..EExtended strand (participates in β ladder)trans-122.5119.1177.3-178.90000108.6L200 V217 V221 I234 C270 K271 Y273 V326L200-V219 HydrophobicContact CD1-CG1 3.89Å; V217-V219 HydrophobicContact CG1-CG2 4.11Å; V219-V221 HydrophobicContact CG1-CG2 3.99Å; V219-I234 HydrophobicContact CG2-CD1 4.14Å; V219-C270 WeakPolarHBondContact O-CA 3.26Å; V219-K271 PolarHBondContact N-O 2.87Å; V219-K271 PolarHBondContact O-N 2.75Å; V219-Y273 HydrophobicContact CB-CD2 4.33Å; V219-Y273 HydrophobicContact CB-CE2 4.04Å; V219-Y273 HydrophobicContact CG2-CD2 3.87Å; V219-Y273 HydrophobicContact CG2-CE2 3.97Å; V219-V326 HydrophobicContact CG1-CG1 4.02Å; V219-V326 HydrophobicContact CG2-CG1 3.89Å; V219-V326 HydrophobicContact CG2-CG2 4.09Å
220H96.9Very high93.5Very high60 Ų6039 Ų3928%0.27822%0.215SC..EExtended strand (participates in β ladder)trans-117.9125.2176.5178.8-140.9000109.5E201 F269E201-H220 HydrophobicContact CB-CB 4.15Å; E201-H220 PolarHBondContact N-O 3.04Å; E201-H220 PolarHBondContact O-N 2.78Å; E201-H220 IonicContact OE2-CE1 2.78Å; E201-H220 IonicContact OE2-CG 3.72Å; E201-H220 IonicContact OE2-ND1 3.33Å; E201-H220 PolarHBondContact OE2-ND1 3.37Å; H220-F269 CarbonylContact C-O 3.58Å; H220-F269 WeakPolarHBondContact CA-O 3.08Å; H220-F269 PolarHBondContact CD2-O 3.46Å
221V96.1Very high93.6Very high0 Ų039.1 Ų39.10%021%0.214CC..EExtended strand (participates in β ladder)trans-126.2119.4-177.3-175.30000108.4L198 H199 L200 V219 V263 T268 F269 L328L198-V221 HydrophobicContact CD1-CG1 3.56Å; H199-V221 CarbonylContact O-C 3.45Å; H199-V221 WeakPolarHBondContact O-CA 3.36Å; L200-V221 HydrophobicContact CD1-CG2 3.96Å; V219-V221 HydrophobicContact CG1-CG2 3.99Å; V221-V263 HydrophobicContact CG1-CG1 4.33Å; V221-V263 HydrophobicContact CG1-CG2 4.45Å; V221-T268 CarbonylContact O-C 3.58Å; V221-T268 VanDerWaalsContact O-CA 3.31Å; V221-T268 WeakPolarHBondContact O-CA 3.45Å; V221-F269 HydrophobicContact CB-CB 4.29Å; V221-F269 HydrophobicContact CG2-CD1 4.27Å; V221-F269 PolarHBondContact N-O 3.28Å; V221-F269 PolarHBondContact O-N 2.84Å; V221-L328 HydrophobicContact CG1-CD1 3.89Å; V221-L328 HydrophobicContact CG2-CD1 3.88Å; V221-L328 HydrophobicContact CG2-CD2 3.96Å
222T95Very high93.8Very high30 Ų3037.5 Ų37.518%0.18421%0.207CC..EExtended strand (participates in β ladder)trans-107.2101.4170.8-65.50000108.3H199 N224 T268H199-T222 PolarHBondContact N-O 2.98Å; H199-T222 PolarHBondContact O-N 3.48Å; T222-N224 PolarHBondContact O-N 3.38Å; T222-T268 HydrophobicContact CG2-CG2 4.09Å
223N93Very high94.1Very high0 Ų038.6 Ų38.60%020%0.198CC..EExtended strand (participates in β ladder)trans-9690.1-177.3-173.713.3000110.9L198 S225 K227 V263 S264 S266 S267L198-N223 HydrophobicContact CD1-CB 3.59Å; N223-S225 VanDerWaalsContact C-N 3.31Å; N223-S225 WeakPolarHBondContact OD1-CB 3.41Å; N223-S225 PolarHBondContact OD1-N 3.02Å; N223-S225 VanDerWaalsContact OD1-N 3.14Å; N223-S225 PolarHBondContact OD1-OG 3.39Å; N223-K227 PolarHBondContact ND2-O 3.16Å; N223-V263 HydrophobicContact CB-CG1 3.86Å; N223-V263 PolarHBondContact ND2-O 2.96Å; N223-S264 PolarHBondContact ND2-O 3.47Å; N223-S266 CarbonylContact O-C 3.45Å; N223-S266 WeakPolarHBondContact O-CA 3.38Å; N223-S266 PolarHBondContact O-N 2.83Å; N223-S267 WeakPolarHBondContact CB-O 3.26Å; N223-S267 PolarHBondContact N-O 3.4Å; N223-S267 PolarHBondContact O-N 2.96Å
224N90.8Very high94.3Very high71 Ų7136.9 Ų36.938%0.3819%0.19SC..  trans-85.6-8.1171.6-65-39.4000112.3R196 S197 T222R196-N224 HydrophobicContact CB-CB 4.14Å; R196-N224 WeakPolarHBondContact CB-O 3.37Å; R196-N224 WeakPolarHBondContact CD-O 3.19Å; S197-N224 CarbonylContact O-C 3.58Å; S197-N224 WeakPolarHBondContact O-CA 3.47Å; S197-N224 WeakPolarHBondContact O-CB 3.42Å; S197-N224 PolarHBondContact O-N 3.22Å; S197-N224 VanDerWaalsContact O-N 3.11Å; T222-N224 PolarHBondContact O-N 3.38Å
225S88.1Confident94.3Very high1 Ų134.3 Ų34.31%0.00717%0.174CC..SBendtrans-74.1166.7-177.484.80000112.8S197 N223 K227 S265S197-S225 PolarHBondContact O-N 2.8Å; N223-S225 VanDerWaalsContact C-N 3.31Å; N223-S225 WeakPolarHBondContact OD1-CB 3.41Å; N223-S225 PolarHBondContact OD1-N 3.02Å; N223-S225 VanDerWaalsContact OD1-N 3.14Å; N223-S225 PolarHBondContact OD1-OG 3.39Å; S225-K227 VanDerWaalsContact C-N 3.25Å; S225-K227 PolarHBondContact O-N 3.43Å; S225-K227 PolarHBondContact OG-N 2.84Å; S225-S265 PolarHBondContact O-OG 2.88Å
226T87.7Confident94.4Very high98 Ų9834.3 Ų34.360%0.60117%0.174SC*.SBendtrans-79.7-3.7173.8560000113.8
227K88.9Confident94.3Very high41 Ų4135.2 Ų35.218%0.17817%0.172CC..SBendtrans-94.6157.3-177.6-59.5-173.3-172.1-720111.2F191 N223 S225 V330 R332F191-K227 HydrophobicContact CB-CD 4.1Å; F191-K227 HydrophobicContact CD1-CD 3.74Å; F191-K227 HydrophobicContact CD2-CD 3.8Å; F191-K227 HydrophobicContact CD2-CG 4.42Å; F191-K227 HydrophobicContact CE1-CD 4.07Å; F191-K227 HydrophobicContact CE2-CD 4.12Å; F191-K227 HydrophobicContact CG-CD 3.6Å; F191-K227 HydrophobicContact CZ-CD 4.26Å; N223-K227 PolarHBondContact ND2-O 3.16Å; S225-K227 VanDerWaalsContact C-N 3.25Å; S225-K227 PolarHBondContact O-N 3.43Å; S225-K227 PolarHBondContact OG-N 2.84Å; K227-V330 HydrophobicContact CB-CG1 3.67Å; K227-V330 HydrophobicContact CD-CG1 3.87Å; K227-V330 HydrophobicContact CG-CG1 4.42Å; K227-R332 PolarHBondContact NZ-O 3.16Å
228T91.3Very high94.2Very high48 Ų4835.2 Ų35.229%0.29417%0.172SC..  trans-105.7134.7176.9-56.30000110.4V263 S331T228-V263 WeakPolarHBondContact CG2-O 3.38Å; T228-S331 PolarHBondContact N-OG 3.21Å; T228-S331 VanDerWaalsContact N-OG 3.16Å; T228-S331 WeakPolarHBondContact O-CB 3.25Å; T228-S331 PolarHBondContact O-N 2.79Å; T228-S331 PolarHBondContact O-OG 3.01Å; T228-S331 VanDerWaalsContact O-OG 3.1Å
229V94.1Very high94.1Very high0 Ų033 Ų330%016%0.16CC..EExtended strand (participates in β ladder)trans-78.8122.8168.1-177.10000108L198 Q262 V263 L328 V330L198-V229 HydrophobicContact CD1-CG2 4.28Å; L198-V229 HydrophobicContact CD2-CG2 4.11Å; V229-Q262 VanDerWaalsContact O-CA 3.29Å; V229-Q262 WeakPolarHBondContact O-CA 3.35Å; V229-V263 HydrophobicContact CB-CB 3.86Å; V229-V263 HydrophobicContact CB-CG2 4.1Å; V229-V263 HydrophobicContact CG2-CB 4.01Å; V229-V263 HydrophobicContact CG2-CG2 4.41Å; V229-V263 PolarHBondContact N-O 2.81Å; V229-V263 PolarHBondContact O-N 2.75Å; V229-V263 VanDerWaalsContact O-N 3.11Å; V229-L328 HydrophobicContact CG1-CB 4.04Å; V229-L328 HydrophobicContact CG1-CD2 4.22Å; V229-L328 HydrophobicContact CG2-CD1 4.47Å; V229-V330 HydrophobicContact CG2-CG2 4.45Å
230K94Very high93.8Very high111 Ų11133 Ų3348%0.48316%0.16SC..EExtended strand (participates in β ladder)trans-83.5-35-176.6-70.6-172171.5-171.90113.4Q262 V329K230-Q262 WeakPolarHBondContact O-CG 3.37Å; K230-V329 PolarHBondContact N-O 2.91Å
231R94.6Very high93.4Very high93 Ų9332.4 Ų32.435%0.35116%0.159SC..EExtended strand (participates in β ladder)trans-165.6159.3-176.958.1178.566.31660.5111.2E258 A259 D260 V329R231-E258 WeakPolarHBondContact CD-OE1 2.96Å; R231-E258 IonicContact CZ-OE1 3.58Å; R231-E258 IonicContact NE-OE1 3.54Å; R231-E258 PolarHBondContact NE-OE1 2.87Å; R231-E258 IonicContact NH1-OE1 2.71Å; R231-E258 PolarHBondContact NH1-OE1 2.87Å; R231-A259 WeakPolarHBondContact CA-O 2.99Å; R231-A259 VanDerWaalsContact CB-O 3.3Å; R231-A259 WeakPolarHBondContact CB-O 3.47Å; R231-D260 IonicContact CZ-OD1 3.42Å; R231-D260 IonicContact NE-OD1 3.49Å; R231-D260 PolarHBondContact NE-OD1 2.94Å; R231-D260 IonicContact NH2-OD1 3.41Å; R231-D260 PolarHBondContact NH2-OD1 2.79Å; R231-V329 HydrophobicContact CG-CB 3.62Å; R231-V329 HydrophobicContact CG-CG1 4.28Å; R231-V329 HydrophobicContact CG-CG2 3.69Å; R231-V329 PolarHBondContact O-N 2.98Å
232V96.2Very high92.9Very high0 Ų032.6 Ų32.60%016%0.16CC..EExtended strand (participates in β ladder)trans-113.1124.5176.2-174.90000108.5I234 A259 D261 Y273 V326 L328V232-I234 HydrophobicContact CG1-CD1 4.45Å; V232-I234 HydrophobicContact CG1-CG1 4.18Å; V232-A259 PolarHBondContact N-O 2.84Å; V232-A259 PolarHBondContact O-N 2.95Å; V232-D261 HydrophobicContact CG2-CB 4.39Å; V232-Y273 HydrophobicContact CG1-CE2 4.34Å; V232-V326 HydrophobicContact CG1-CG1 4.33Å; V232-L328 HydrophobicContact CB-CD2 4.41Å; V232-L328 HydrophobicContact CG1-CD2 4.11Å; V232-L328 HydrophobicContact CG2-CD2 3.79Å
233K96.8Very high92.1Very high70 Ų7032.2 Ų32.230%0.30416%0.159SC..EExtended strand (participates in β ladder)trans-111.5126.2175.2-66-176.3-173.1-117.40109.5E258 K327 V329K233-E258 VanDerWaalsContact CE-CD 3.46Å; K233-E258 WeakPolarHBondContact CE-OE1 3.38Å; K233-E258 WeakPolarHBondContact CE-OE2 3.41Å; K233-E258 HydrophobicContact CG-CB 4.38Å; K233-E258 HydrophobicContact CG-CG 3.92Å; K233-E258 IonicContact NZ-OE1 2.8Å; K233-E258 PolarHBondContact NZ-OE1 2.68Å; K233-E258 IonicContact NZ-OE2 3.45Å; K233-E258 PolarHBondContact NZ-OE2 2.85Å; K233-K327 HydrophobicContact CB-CB 4.33Å; K233-K327 PolarHBondContact N-O 2.85Å; K233-K327 PolarHBondContact O-N 3.42Å; K233-V329 HydrophobicContact CD-CG2 4.24Å; K233-V329 HydrophobicContact CG-CG2 4.43Å
234I97Very high91.2Very high2 Ų232.6 Ų32.61%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-119.1130.9177.3-53.8174.5000108V217 V219 V232 Q256 L257 Y273 L275 V324 K325 V326V217-I234 HydrophobicContact CG2-CG2 4.36Å; V219-I234 HydrophobicContact CG2-CD1 4.14Å; V232-I234 HydrophobicContact CG1-CD1 4.45Å; V232-I234 HydrophobicContact CG1-CG1 4.18Å; I234-Q256 CarbonylContact O-C 3.6Å; I234-Q256 WeakPolarHBondContact O-CA 3.14Å; I234-L257 PolarHBondContact N-O 2.83Å; I234-L257 PolarHBondContact O-N 2.9Å; I234-Y273 HydrophobicContact CD1-CD1 3.88Å; I234-Y273 HydrophobicContact CD1-CD2 3.2Å; I234-Y273 HydrophobicContact CD1-CE1 4.42Å; I234-Y273 HydrophobicContact CD1-CE2 3.8Å; I234-Y273 HydrophobicContact CD1-CG 3.21Å; I234-L275 HydrophobicContact CB-CD1 4.13Å; I234-L275 HydrophobicContact CG2-CD1 3.48Å; I234-L275 VanDerWaalsContact CG2-CD1 3.48Å; I234-L275 HydrophobicContact CG2-CD2 4.2Å; I234-V324 HydrophobicContact CG2-CG1 3.94Å; I234-K325 CarbonylContact C-O 3.53Å; I234-K325 WeakPolarHBondContact CA-O 3.35Å; I234-V326 HydrophobicContact CG1-CG2 4.47Å
235S96.7Very high90Very high10 Ų1035.7 Ų35.77%0.0717%0.171CC..EExtended strand (participates in β ladder)trans-138.4128.5177.565.80000111.5R237 A255 K325S235-R237 PolarHBondContact OG-NE 2.83Å; S235-A255 CarbonylContact C-O 3.57Å; S235-A255 VanDerWaalsContact CA-O 3.27Å; S235-A255 WeakPolarHBondContact CA-O 3.31Å; S235-K325 PolarHBondContact N-O 2.84Å; S235-K325 PolarHBondContact O-N 3.2Å
236V97Very high88.8Confident0 Ų039.1 Ų39.10%020%0.195CC..EExtended strand (participates in β ladder)trans-82.8125.6165.4-174.50000107.6I215 P253 V254 A255 L275 P277 V324 F342I215-V236 HydrophobicContact CD1-CG2 4.3Å; V236-P253 CarbonylContact O-C 3.59Å; V236-P253 WeakPolarHBondContact O-CA 3.18Å; V236-V254 HydrophobicContact CB-CG2 3.86Å; V236-V254 HydrophobicContact CG1-CG2 3.5Å; V236-V254 WeakPolarHBondContact O-CG2 3.43Å; V236-V254 PolarHBondContact O-N 2.89Å; V236-A255 HydrophobicContact CB-CB 4.06Å; V236-A255 HydrophobicContact CG2-CB 4.04Å; V236-A255 PolarHBondContact N-O 2.87Å; V236-A255 PolarHBondContact O-N 2.82Å; V236-L275 HydrophobicContact CG2-CB 4.05Å; V236-L275 HydrophobicContact CG2-CD2 4.24Å; V236-P277 HydrophobicContact CG1-CB 4.3Å; V236-V324 HydrophobicContact CG2-CG2 4.39Å; V236-F342 HydrophobicContact CG1-CE1 3.81Å; V236-F342 HydrophobicContact CG1-CZ 3.58Å
237R95.5Very high88.1Confident51 Ų5140.6 Ų40.619%0.19220%0.204CC..EExtended strand (participates in β ladder)trans-122.7130.2-176.8-64.7175.7177.8-160-14.4110S235 Y239 C252 P253 Y322 R323 E339S235-R237 PolarHBondContact OG-NE 2.83Å; R237-Y239 HydrophobicContact CB-CD2 4.4Å; R237-Y239 HydrophobicContact CB-CE2 3.82Å; R237-C252 WeakPolarHBondContact CA-O 3.34Å; R237-P253 HydrophobicContact CG-CB 4.49Å; R237-Y322 WeakPolarHBondContact O-CA 3.33Å; R237-R323 PolarHBondContact N-O 2.82Å; R237-R323 PolarHBondContact O-N 2.86Å; R237-E339 IonicContact NH1-OE1 3.66Å
238Q95.8Very high87.6Confident1 Ų140.1 Ų40.11%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-90.9131.8167.1-172-168.368.400108.6K251 C252 V254 A289 V320 Y322Q238-K251 WeakPolarHBondContact O-CA 3.4Å; Q238-C252 PolarHBondContact N-O 3.28Å; Q238-C252 PolarHBondContact O-N 2.93Å; Q238-V254 HydrophobicContact CB-CG1 3.84Å; Q238-A289 PolarHBondContact NE2-O 2.82Å; Q238-V320 HydrophobicContact CG-CG1 3.88Å; Q238-Y322 HydrophobicContact CB-CD1 3.98Å; Q238-Y322 HydrophobicContact CB-CE1 3.62Å; Q238-Y322 HydrophobicContact CG-CD1 4.26Å; Q238-Y322 HydrophobicContact CG-CE1 3.67Å; Q238-Y322 HydrophobicContact CG-CE2 4.34Å; Q238-Y322 PolarHBondContact NE2-OH 3.4Å
239Y93.3Very high87.4Confident6 Ų643.5 Ų43.52%0.02422%0.22CC..EExtended strand (participates in β ladder)trans-112.3126171.6-66.1-96.9000107.5R237 Q249 Y250 K251 V320 S321 R323 E339R237-Y239 HydrophobicContact CB-CD2 4.4Å; R237-Y239 HydrophobicContact CB-CE2 3.82Å; Y239-Q249 HydrophobicContact CD1-CG 4.38Å; Y239-Y250 CarbonylContact C-O 3.51Å; Y239-Y250 WeakPolarHBondContact CA-O 3.41Å; Y239-K251 HydrophobicContact CD1-CB 4.39Å; Y239-K251 HydrophobicContact CD1-CD 4.49Å; Y239-K251 HydrophobicContact CD1-CG 4.19Å; Y239-K251 HydrophobicContact CE1-CB 4.4Å; Y239-K251 HydrophobicContact CE1-CD 3.73Å; Y239-K251 HydrophobicContact CE1-CG 3.81Å; Y239-K251 WeakPolarHBondContact OH-CE 3.31Å; Y239-K251 PolarHBondContact OH-NZ 3.5Å; Y239-V320 CarbonylContact O-C 3.49Å; Y239-V320 WeakPolarHBondContact O-CA 3.27Å; Y239-S321 PolarHBondContact N-O 3.03Å; Y239-S321 PolarHBondContact O-N 2.98Å; Y239-R323 HydrophobicContact CD2-CG 4.11Å; Y239-R323 HydrophobicContact CE2-CB 3.95Å; Y239-R323 HydrophobicContact CE2-CG 3.79Å; Y239-E339 PolarHBondContact OH-OE1 2.9Å; Y239-E339 PolarHBondContact OH-OE2 2.96Å
240A91.3Very high87Confident1 Ų146.6 Ų46.61%0.00823%0.232CC..EExtended strand (participates in β ladder)trans-120.6107.3174.700000109L130 Y250 A289 I318 L319L130-A240 HydrophobicContact CD2-CB 3.76Å; A240-Y250 PolarHBondContact N-O 2.84Å; A240-Y250 PolarHBondContact O-N 2.9Å; A240-A289 HydrophobicContact CB-CB 3.97Å; A240-I318 HydrophobicContact CB-CG2 4.14Å; A240-L319 CarbonylContact C-O 3.54Å; A240-L319 WeakPolarHBondContact CA-O 3.39Å
241D88.5Confident86.9Confident46 Ų4645.9 Ų45.925%0.24623%0.229CC..EExtended strand (participates in β ladder)trans-96.5111.3-179.1-65.4-39.3000109.5C243 Q249 I318 L319D241-C243 PolarHBondContact O-N 3.15Å; D241-Q249 VanDerWaalsContact OD1-CB 3.26Å; D241-Q249 WeakPolarHBondContact OD1-CB 3.26Å; D241-Q249 VanDerWaalsContact OD1-CD 3.31Å; D241-Q249 WeakPolarHBondContact OD1-CG 3.41Å; D241-Q249 PolarHBondContact OD1-NE2 2.82Å; D241-I318 WeakPolarHBondContact O-CA 3.4Å; D241-L319 HydrophobicContact CB-CB 4.28Å; D241-L319 PolarHBondContact N-O 2.87Å; D241-L319 PolarHBondContact O-N 2.98Å
242I85.1Confident86.8Confident4 Ų442 Ų422%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-79.3118.1172.2-57.1-178.5000107.6F62 L130 T247 A248 Y250F62-I242 HydrophobicContact CE2-CG2 4.39Å; F62-I242 HydrophobicContact CZ-CG2 3.77Å; L130-I242 HydrophobicContact CD1-CD1 3.57Å; L130-I242 HydrophobicContact CD1-CG1 3.88Å; I242-T247 WeakPolarHBondContact O-CA 3.41Å; I242-A248 HydrophobicContact CD1-CB 4.49Å; I242-A248 PolarHBondContact N-O 3Å; I242-Y250 HydrophobicContact CD1-CD2 4.21Å; I242-Y250 HydrophobicContact CD1-CE2 3.66Å; I242-Y250 HydrophobicContact CG1-CE2 4.4Å
243C78.3Confident86.6Confident23 Ų2343.8 Ų43.816%0.15523%0.228CC..  trans-102.84-176.3-67.10000113.5D241 K313 G317D241-C243 PolarHBondContact O-N 3.15Å; C243-K313 VanDerWaalsContact CB-O 3.25Å; C243-K313 WeakPolarHBondContact CB-O 3.4Å; C243-G317 PolarHBondContact N-O 3.03Å
244L74.3Confident86.5Confident7 Ų740.6 Ų40.64%0.03721%0.214CC..SBendtrans-112.1127.3-176.8-158.182.8000110.8F62 K78 L80 S246 E314F62-L244 HydrophobicContact CB-CD2 3.58Å; F62-L244 HydrophobicContact CD1-CB 4.49Å; F62-L244 HydrophobicContact CD1-CD2 3.31Å; F62-L244 HydrophobicContact CD1-CG 4.49Å; F62-L244 HydrophobicContact CD2-CD2 4.06Å; F62-L244 HydrophobicContact CE1-CB 4.3Å; F62-L244 HydrophobicContact CE1-CD2 3.9Å; F62-L244 HydrophobicContact CE2-CB 4.48Å; F62-L244 HydrophobicContact CG-CD2 3.38Å; F62-L244 HydrophobicContact CZ-CB 4.33Å; K78-L244 HydrophobicContact CB-CD2 4.32Å; K78-L244 HydrophobicContact CD-CD1 4.29Å; K78-L244 HydrophobicContact CD-CD2 4.18Å; L80-L244 HydrophobicContact CD2-CD1 4.17Å; L80-L244 HydrophobicContact CD2-CD2 4.3Å; L244-S246 VanDerWaalsContact C-N 3.26Å; L244-S246 PolarHBondContact O-N 3.48Å; L244-E314 WeakPolarHBondContact CD1-O 3.42Å
245F65.6Low86.4Confident136 Ų13641.2 Ų41.260%0.59622%0.219SC*.SBendtrans65.2-58.2179.5-59.6-78.3000117.2F76 K78F76-F245 HydrophobicContact CD1-CD2 4.1Å; F76-F245 AromaticContact CD1-CE2 3.84Å; F76-F245 HydrophobicContact CD1-CE2 3.84Å; F76-F245 HydrophobicContact CD1-CZ 4.38Å; F76-F245 AromaticContact CE1-CD2 3.65Å; F76-F245 HydrophobicContact CE1-CD2 3.65Å; F76-F245 HydrophobicContact CE1-CE1 4.18Å; F76-F245 AromaticContact CE1-CE2 2.95Å; F76-F245 HydrophobicContact CE1-CE2 2.95Å; F76-F245 HydrophobicContact CE1-CG 4.5Å; F76-F245 AromaticContact CE1-CZ 3.28Å; F76-F245 HydrophobicContact CE1-CZ 3.28Å; F76-F245 HydrophobicContact CE2-CE1 4.14Å; F76-F245 HydrophobicContact CE2-CE2 4.34Å; F76-F245 AromaticContact CE2-CZ 3.93Å; F76-F245 HydrophobicContact CE2-CZ 3.93Å; F76-F245 HydrophobicContact CZ-CD1 4.41Å; F76-F245 HydrophobicContact CZ-CD2 4.11Å; F76-F245 AromaticContact CZ-CE1 3.63Å; F76-F245 HydrophobicContact CZ-CE1 3.63Å; F76-F245 AromaticContact CZ-CE2 3.29Å; F76-F245 HydrophobicContact CZ-CE2 3.29Å; F76-F245 AromaticContact CZ-CZ 2.99Å; F76-F245 HydrophobicContact CZ-CZ 2.99Å; K78-F245 HydrophobicContact CB-CE2 4.02Å; K78-F245 HydrophobicContact CB-CZ 4.18Å; K78-F245 HydrophobicContact CD-CE2 3.67Å; K78-F245 HydrophobicContact CD-CZ 3.4Å; K78-F245 VanDerWaalsContact CD-CZ 3.4Å; K78-F245 HydrophobicContact CG-CZ 4.44Å
246S63.7Low86.3Confident73 Ų7347 Ų4751%0.5125%0.245SC..SBendtrans-126.8119177-174.90000108.2L244 A248L244-S246 VanDerWaalsContact C-N 3.26Å; L244-S246 PolarHBondContact O-N 3.48Å; S246-A248 PolarHBondContact O-N 2.86Å
247T72.4Confident86.2Confident130 Ų13049.5 Ų49.580%0.79826%0.258SS*.  trans-71.696.6175.553.60000109I242I242-T247 WeakPolarHBondContact O-CA 3.41Å
248A79.4Confident86.2Confident30 Ų3051.6 Ų51.625%0.24827%0.27CS..EExtended strand (participates in β ladder)trans-114.8135.7175.100000109.5I242 S246 Y250I242-A248 HydrophobicContact CD1-CB 4.49Å; I242-A248 PolarHBondContact N-O 3Å; S246-A248 PolarHBondContact O-N 2.86Å; A248-Y250 HydrophobicContact CB-CE2 4.27Å
249Q85.3Confident86.1Confident119 Ų11952.2 Ų52.256%0.55628%0.276SS*.EExtended strand (participates in β ladder)trans-110.9118.9174.8175.3170.591.300109.2Y239 D241Y239-Q249 HydrophobicContact CD1-CG 4.38Å; D241-Q249 VanDerWaalsContact OD1-CB 3.26Å; D241-Q249 WeakPolarHBondContact OD1-CB 3.26Å; D241-Q249 VanDerWaalsContact OD1-CD 3.31Å; D241-Q249 WeakPolarHBondContact OD1-CG 3.41Å; D241-Q249 PolarHBondContact OD1-NE2 2.82Å
250Y86.9Confident86.1Confident66 Ų6657.4 Ų57.426%0.25930%0.304SS..EExtended strand (participates in β ladder)trans-93.2136.3168.8-69.1-90.3000109.7L130 Y239 A240 I242 A248L130-Y250 HydrophobicContact CD1-CD2 4.18Å; L130-Y250 HydrophobicContact CD1-CE2 4.24Å; Y239-Y250 CarbonylContact C-O 3.51Å; Y239-Y250 WeakPolarHBondContact CA-O 3.41Å; A240-Y250 PolarHBondContact N-O 2.84Å; A240-Y250 PolarHBondContact O-N 2.9Å; I242-Y250 HydrophobicContact CD1-CD2 4.21Å; I242-Y250 HydrophobicContact CD1-CE2 3.66Å; I242-Y250 HydrophobicContact CG1-CE2 4.4Å; A248-Y250 HydrophobicContact CB-CE2 4.27Å
251K91.2Very high86.1Confident96 Ų9659 Ų5942%0.41731%0.312SS..EExtended strand (participates in β ladder)trans-128.5108-178.1-178.9179.3-170.3152.80109.9Q238 Y239Q238-K251 WeakPolarHBondContact O-CA 3.4Å; Y239-K251 HydrophobicContact CD1-CB 4.39Å; Y239-K251 HydrophobicContact CD1-CD 4.49Å; Y239-K251 HydrophobicContact CD1-CG 4.19Å; Y239-K251 HydrophobicContact CE1-CB 4.4Å; Y239-K251 HydrophobicContact CE1-CD 3.73Å; Y239-K251 HydrophobicContact CE1-CG 3.81Å; Y239-K251 WeakPolarHBondContact OH-CE 3.31Å; Y239-K251 PolarHBondContact OH-NZ 3.5Å
252C92.1Very high86.3Confident10 Ų1063 Ų637%0.06833%0.33CS..EExtended strand (participates in β ladder)trans-120.6117.7-173.4-66.30000110.2R237 Q238 V254 R286 G287 L288R237-C252 WeakPolarHBondContact CA-O 3.34Å; Q238-C252 PolarHBondContact N-O 3.28Å; Q238-C252 PolarHBondContact O-N 2.93Å; C252-V254 PolarHBondContact O-N 2.83Å; C252-R286 PolarHBondContact SG-O 3.31Å; C252-R286 VanDerWaalsContact SG-O 3.4Å; C252-G287 VanDerWaalsContact SG-C 3.56Å; C252-G287 PolarHBondContact SG-O 2.82Å; C252-G287 VanDerWaalsContact SG-O 3.37Å; C252-L288 HydrophobicContact CB-CD1 4.05Å
253P93.2Very high86.7Confident39 Ų3962.9 Ų62.925%0.25333%0.329SS..EExtended strand (participates in β ladder)trans-70.6118.717028.6-30.4000108.9V236 R237 Q256 K285V236-P253 CarbonylContact O-C 3.59Å; V236-P253 WeakPolarHBondContact O-CA 3.18Å; R237-P253 HydrophobicContact CG-CB 4.49Å; P253-Q256 HydrophobicContact CB-CG 3.99Å; P253-K285 PolarHBondContact O-NZ 2.8Å
254V94.2Very high87.4Confident3 Ų365.1 Ų65.12%0.01835%0.345CS..EExtended strand (participates in β ladder)trans-98.7-20.7-177.6-65.60000113.2V236 Q238 C252 P277 N282 L288 L301 Y322V236-V254 HydrophobicContact CB-CG2 3.86Å; V236-V254 HydrophobicContact CG1-CG2 3.5Å; V236-V254 WeakPolarHBondContact O-CG2 3.43Å; V236-V254 PolarHBondContact O-N 2.89Å; Q238-V254 HydrophobicContact CB-CG1 3.84Å; C252-V254 PolarHBondContact O-N 2.83Å; V254-P277 HydrophobicContact CB-CB 4.38Å; V254-P277 HydrophobicContact CG2-CB 3.78Å; V254-N282 WeakPolarHBondContact CA-OD1 3.41Å; V254-N282 PolarHBondContact O-ND2 3.29Å; V254-N282 PolarHBondContact O-OD1 2.56Å; V254-L288 HydrophobicContact CG1-CD1 3.59Å; V254-L301 HydrophobicContact CB-CD1 4.31Å; V254-L301 HydrophobicContact CG1-CD1 4.38Å; V254-L301 HydrophobicContact CG1-CD2 4.3Å; V254-Y322 HydrophobicContact CG2-CD1 4.45Å; V254-Y322 HydrophobicContact CG2-CE1 4.33Å
255A94.8Very high88.1Confident15 Ų1567.2 Ų67.212%0.12436%0.36CS..EExtended strand (participates in β ladder)trans-148.2142.7168.300000108.8S235 V236 L275S235-A255 CarbonylContact C-O 3.57Å; S235-A255 VanDerWaalsContact CA-O 3.27Å; S235-A255 WeakPolarHBondContact CA-O 3.31Å; V236-A255 HydrophobicContact CB-CB 4.06Å; V236-A255 HydrophobicContact CG2-CB 4.04Å; V236-A255 PolarHBondContact N-O 2.87Å; V236-A255 PolarHBondContact O-N 2.82Å; A255-L275 HydrophobicContact CB-CB 4.28Å; A255-L275 HydrophobicContact CB-CD2 4.13Å
256Q94.4Very high89.3Confident130 Ų13064.1 Ų64.161%0.60736%0.355SS*.EExtended strand (participates in β ladder)trans-139.5139.8179.3-62.5-175.1-59.400109.5I234 P253I234-Q256 CarbonylContact O-C 3.6Å; I234-Q256 WeakPolarHBondContact O-CA 3.14Å; P253-Q256 HydrophobicContact CB-CG 3.99Å
257L95.1Very high90.7Very high54 Ų5462.5 Ų62.528%0.28334%0.344SS..EExtended strand (participates in β ladder)trans-136.3128.3174.6-175.1151.1000107.6I234 A259 Y273 L275I234-L257 PolarHBondContact N-O 2.83Å; I234-L257 PolarHBondContact O-N 2.9Å; L257-A259 HydrophobicContact CD2-CB 4.08Å; L257-Y273 HydrophobicContact CD2-CD1 3.64Å; L257-Y273 HydrophobicContact CD2-CE1 4.11Å; L257-L275 HydrophobicContact CB-CD2 3.79Å; L257-L275 HydrophobicContact CB-CG 4.12Å
258E95Very high91.8Very high94 Ų9461.1 Ų61.144%0.43934%0.335SS..EExtended strand (participates in β ladder)trans-119.6122.3175.1-179.3159.8-176.300107.8R231 K233R231-E258 WeakPolarHBondContact CD-OE1 2.96Å; R231-E258 IonicContact CZ-OE1 3.58Å; R231-E258 IonicContact NE-OE1 3.54Å; R231-E258 PolarHBondContact NE-OE1 2.87Å; R231-E258 IonicContact NH1-OE1 2.71Å; R231-E258 PolarHBondContact NH1-OE1 2.87Å; K233-E258 VanDerWaalsContact CE-CD 3.46Å; K233-E258 WeakPolarHBondContact CE-OE1 3.38Å; K233-E258 WeakPolarHBondContact CE-OE2 3.41Å; K233-E258 HydrophobicContact CG-CB 4.38Å; K233-E258 HydrophobicContact CG-CG 3.92Å; K233-E258 IonicContact NZ-OE1 2.8Å; K233-E258 PolarHBondContact NZ-OE1 2.68Å; K233-E258 IonicContact NZ-OE2 3.45Å; K233-E258 PolarHBondContact NZ-OE2 2.85Å
259A94.3Very high92.5Very high15 Ų1561.4 Ų61.412%0.12433%0.331CS..EExtended strand (participates in β ladder)trans-119129.4-179.700000109.6R231 V232 L257 D261 Y273R231-A259 WeakPolarHBondContact CA-O 2.99Å; R231-A259 VanDerWaalsContact CB-O 3.3Å; R231-A259 WeakPolarHBondContact CB-O 3.47Å; V232-A259 PolarHBondContact N-O 2.84Å; V232-A259 PolarHBondContact O-N 2.95Å; L257-A259 HydrophobicContact CD2-CB 4.08Å; A259-D261 VanDerWaalsContact CB-OD2 3.27Å; A259-D261 WeakPolarHBondContact CB-OD2 3.36Å; A259-D261 PolarHBondContact O-N 2.85Å; A259-Y273 HydrophobicContact CB-CE1 3.65Å
260D93.1Very high93Very high114 Ų11460.3 Ų60.361%0.6134%0.336SS*.  trans-77.431175.6-68.9-53.2000112.6R231 Q262R231-D260 IonicContact CZ-OD1 3.42Å; R231-D260 IonicContact NE-OD1 3.49Å; R231-D260 PolarHBondContact NE-OD1 2.94Å; R231-D260 IonicContact NH2-OD1 3.41Å; R231-D260 PolarHBondContact NH2-OD1 2.79Å; D260-Q262 PolarHBondContact O-N 2.77Å
261D92Very high93.5Very high34 Ų3461 Ų6118%0.18234%0.34CS..  trans-67.9119173.5-65.3-51.5000109.2V232 A259 F269 K271 Y273V232-D261 HydrophobicContact CG2-CB 4.39Å; A259-D261 VanDerWaalsContact CB-OD2 3.27Å; A259-D261 WeakPolarHBondContact CB-OD2 3.36Å; A259-D261 PolarHBondContact O-N 2.85Å; D261-F269 HydrophobicContact CB-CE2 3.92Å; D261-F269 HydrophobicContact CB-CZ 3.67Å; D261-K271 IonicContact OD1-NZ 3.57Å; D261-K271 PolarHBondContact OD1-NZ 3.35Å; D261-K271 WeakPolarHBondContact OD2-CD 3.34Å; D261-K271 IonicContact OD2-NZ 2.67Å; D261-K271 PolarHBondContact OD2-NZ 2.72Å; D261-Y273 WeakPolarHBondContact OD2-CE1 3.2Å; D261-Y273 PolarHBondContact OD2-OH 3.03Å
262Q92.4Very high93.8Very high132 Ų13260.1 Ų60.162%0.61734%0.342SS*.  trans-99.2140.3-179.9-66.1-175.30.200111.1V229 K230 D260V229-Q262 VanDerWaalsContact O-CA 3.29Å; V229-Q262 WeakPolarHBondContact O-CA 3.35Å; K230-Q262 WeakPolarHBondContact O-CG 3.37Å; D260-Q262 PolarHBondContact O-N 2.77Å
263V93.4Very high94Very high1 Ų160.2 Ų60.21%0.00634%0.341CS..BIsolated β-bridgetrans-119.5110.3173.7-167.90000108.2V221 N223 T228 V229 F269V221-V263 HydrophobicContact CG1-CG1 4.33Å; V221-V263 HydrophobicContact CG1-CG2 4.45Å; N223-V263 HydrophobicContact CB-CG1 3.86Å; N223-V263 PolarHBondContact ND2-O 2.96Å; T228-V263 WeakPolarHBondContact CG2-O 3.38Å; V229-V263 HydrophobicContact CB-CB 3.86Å; V229-V263 HydrophobicContact CB-CG2 4.1Å; V229-V263 HydrophobicContact CG2-CB 4.01Å; V229-V263 HydrophobicContact CG2-CG2 4.41Å; V229-V263 PolarHBondContact N-O 2.81Å; V229-V263 PolarHBondContact O-N 2.75Å; V229-V263 VanDerWaalsContact O-N 3.11Å; V263-F269 HydrophobicContact CB-CB 4.35Å; V263-F269 HydrophobicContact CG1-CB 3.91Å; V263-F269 HydrophobicContact CG2-CB 3.52Å; V263-F269 HydrophobicContact CG2-CD1 4.12Å; V263-F269 HydrophobicContact CG2-CD2 4.25Å; V263-F269 HydrophobicContact CG2-CG 3.72Å
264S92.6Very high94.1Very high70 Ų7062 Ų6249%0.4935%0.352SS..  trans-65.3163.9179.1-67.20000111.9N223 S267N223-S264 PolarHBondContact ND2-O 3.47Å; S264-S267 PolarHBondContact N-OG 2.82Å; S264-S267 PolarHBondContact O-OG 2.72Å
265S89.5Confident94.2Very high51 Ų5162.3 Ų62.336%0.35735%0.353SS..THydrogen-bonded Turntrans-58.8140.8169.5168.10000110.5S225 S267S225-S265 PolarHBondContact O-OG 2.88Å; S265-S267 VanDerWaalsContact C-N 3.25Å; S265-S267 PolarHBondContact O-N 3.43Å
266S90.4Very high94.1Very high70 Ų7064 Ų6449%0.4936%0.362SS..THydrogen-bonded Turntrans57.133.1177.7-52.40000114.2N223N223-S266 CarbonylContact O-C 3.45Å; N223-S266 WeakPolarHBondContact O-CA 3.38Å; N223-S266 PolarHBondContact O-N 2.83Å
267S93.6Very high94Very high39 Ų3957.9 Ų57.927%0.27333%0.334SS..EExtended strand (participates in β ladder)trans-127.1155.3177.575.20000112.4N223 S264 S265N223-S267 WeakPolarHBondContact CB-O 3.26Å; N223-S267 PolarHBondContact N-O 3.4Å; N223-S267 PolarHBondContact O-N 2.96Å; S264-S267 PolarHBondContact N-OG 2.82Å; S264-S267 PolarHBondContact O-OG 2.72Å; S265-S267 VanDerWaalsContact C-N 3.25Å; S265-S267 PolarHBondContact O-N 3.43Å
268T94.3Very high93.8Very high102 Ų10257 Ų5763%0.62633%0.33SS*.EExtended strand (participates in β ladder)trans-102.1149.8171.754.20000110.8V221 T222V221-T268 CarbonylContact O-C 3.58Å; V221-T268 VanDerWaalsContact O-CA 3.31Å; V221-T268 WeakPolarHBondContact O-CA 3.45Å; T222-T268 HydrophobicContact CG2-CG2 4.09Å
269F95.7Very high93.5Very high36 Ų3653.1 Ų53.116%0.15831%0.313CS..EExtended strand (participates in β ladder)trans-138.6133.5177.5172-93.8000109.5H220 V221 D261 V263 K271 Y273H220-F269 CarbonylContact C-O 3.58Å; H220-F269 WeakPolarHBondContact CA-O 3.08Å; H220-F269 PolarHBondContact CD2-O 3.46Å; V221-F269 HydrophobicContact CB-CB 4.29Å; V221-F269 HydrophobicContact CG2-CD1 4.27Å; V221-F269 PolarHBondContact N-O 3.28Å; V221-F269 PolarHBondContact O-N 2.84Å; D261-F269 HydrophobicContact CB-CE2 3.92Å; D261-F269 HydrophobicContact CB-CZ 3.67Å; V263-F269 HydrophobicContact CB-CB 4.35Å; V263-F269 HydrophobicContact CG1-CB 3.91Å; V263-F269 HydrophobicContact CG2-CB 3.52Å; V263-F269 HydrophobicContact CG2-CD1 4.12Å; V263-F269 HydrophobicContact CG2-CD2 4.25Å; V263-F269 HydrophobicContact CG2-CG 3.72Å; F269-K271 HydrophobicContact CE1-CB 3.68Å; F269-K271 HydrophobicContact CE2-CB 4.22Å; F269-K271 HydrophobicContact CE2-CD 4.32Å; F269-K271 HydrophobicContact CZ-CB 3.43Å; F269-K271 VanDerWaalsContact CZ-CB 3.43Å; F269-K271 HydrophobicContact CZ-CD 3.7Å; F269-K271 HydrophobicContact CZ-CG 4.23Å; F269-Y273 WeakPolarHBondContact CZ-OH 3.47Å
270C95.6Very high93.1Very high96 Ų9657.6 Ų57.665%0.64933%0.334SS*.EExtended strand (participates in β ladder)trans-137.5124.9175.8-174.70000108.6V219V219-C270 WeakPolarHBondContact O-CA 3.26Å
271K96.4Very high92.7Very high80 Ų8060 Ų6035%0.34834%0.34SS..EExtended strand (participates in β ladder)trans-151.7146.1177.8-168.5171.1179.7-176.30110.7V219 D261 F269 Y273V219-K271 PolarHBondContact N-O 2.87Å; V219-K271 PolarHBondContact O-N 2.75Å; D261-K271 IonicContact OD1-NZ 3.57Å; D261-K271 PolarHBondContact OD1-NZ 3.35Å; D261-K271 WeakPolarHBondContact OD2-CD 3.34Å; D261-K271 IonicContact OD2-NZ 2.67Å; D261-K271 PolarHBondContact OD2-NZ 2.72Å; F269-K271 HydrophobicContact CE1-CB 3.68Å; F269-K271 HydrophobicContact CE2-CB 4.22Å; F269-K271 HydrophobicContact CE2-CD 4.32Å; F269-K271 HydrophobicContact CZ-CB 3.43Å; F269-K271 VanDerWaalsContact CZ-CB 3.43Å; F269-K271 HydrophobicContact CZ-CD 3.7Å; F269-K271 HydrophobicContact CZ-CG 4.23Å; K271-Y273 HydrophobicContact CB-CE2 3.98Å; K271-Y273 HydrophobicContact CD-CE1 3.97Å; K271-Y273 HydrophobicContact CD-CE2 4.35Å; K271-Y273 HydrophobicContact CG-CE1 4.44Å; K271-Y273 HydrophobicContact CG-CE2 4.18Å
272V96.9Very high92.4Very high78 Ų7858.6 Ų58.647%0.47333%0.332SS..EExtended strand (participates in β ladder)trans-101.4131.6174.3-171.20000108.8V217 N218V217-V272 WeakPolarHBondContact O-CA 3.28Å; N218-V272 WeakPolarHBondContact OD1-CG1 3.31Å; N218-V272 WeakPolarHBondContact OD1-CG2 3.46Å
273Y96.6Very high91.9Very high11 Ų1156.5 Ų56.54%0.04332%0.318CS..EExtended strand (participates in β ladder)trans-117.7146.7177.1-60.7-92.1000110.3V217 V219 V232 I234 L257 A259 D261 F269 K271V217-Y273 PolarHBondContact N-O 3.48Å; V217-Y273 PolarHBondContact O-N 3.33Å; V219-Y273 HydrophobicContact CB-CD2 4.33Å; V219-Y273 HydrophobicContact CB-CE2 4.04Å; V219-Y273 HydrophobicContact CG2-CD2 3.87Å; V219-Y273 HydrophobicContact CG2-CE2 3.97Å; V232-Y273 HydrophobicContact CG1-CE2 4.34Å; I234-Y273 HydrophobicContact CD1-CD1 3.88Å; I234-Y273 HydrophobicContact CD1-CD2 3.2Å; I234-Y273 HydrophobicContact CD1-CE1 4.42Å; I234-Y273 HydrophobicContact CD1-CE2 3.8Å; I234-Y273 HydrophobicContact CD1-CG 3.21Å; L257-Y273 HydrophobicContact CD2-CD1 3.64Å; L257-Y273 HydrophobicContact CD2-CE1 4.11Å; A259-Y273 HydrophobicContact CB-CE1 3.65Å; D261-Y273 WeakPolarHBondContact OD2-CE1 3.2Å; D261-Y273 PolarHBondContact OD2-OH 3.03Å; F269-Y273 WeakPolarHBondContact CZ-OH 3.47Å; K271-Y273 HydrophobicContact CB-CE2 3.98Å; K271-Y273 HydrophobicContact CD-CE1 3.97Å; K271-Y273 HydrophobicContact CD-CE2 4.35Å; K271-Y273 HydrophobicContact CG-CE1 4.44Å; K271-Y273 HydrophobicContact CG-CE2 4.18Å
274T96.4Very high91.2Very high78 Ų7865.3 Ų65.348%0.47936%0.36SS..EExtended strand (participates in β ladder)trans-118.9129.3-179.1-52.80000110.6P214 I215P214-T274 HydrophobicContact CB-CG2 3.52Å; I215-T274 VanDerWaalsContact O-CA 3.31Å; I215-T274 WeakPolarHBondContact O-CA 3.4Å
275L95.1Very high90.8Very high8 Ų864.9 Ų64.94%0.04235%0.349CS..EExtended strand (participates in β ladder)trans-130.4138.9175.3-63.795.6000110.3I215 V217 I234 V236 A255 L257I215-L275 WeakPolarHBondContact CB-O 3.31Å; I215-L275 PolarHBondContact N-O 2.79Å; I215-L275 PolarHBondContact O-N 3.41Å; V217-L275 HydrophobicContact CG2-CD1 4.07Å; I234-L275 HydrophobicContact CB-CD1 4.13Å; I234-L275 HydrophobicContact CG2-CD1 3.48Å; I234-L275 VanDerWaalsContact CG2-CD1 3.48Å; I234-L275 HydrophobicContact CG2-CD2 4.2Å; V236-L275 HydrophobicContact CG2-CB 4.05Å; V236-L275 HydrophobicContact CG2-CD2 4.24Å; A255-L275 HydrophobicContact CB-CB 4.28Å; A255-L275 HydrophobicContact CB-CD2 4.13Å; L257-L275 HydrophobicContact CB-CD2 3.79Å; L257-L275 HydrophobicContact CB-CG 4.12Å
276T94.2Very high90.4Very high50 Ų5068.7 Ų68.731%0.30736%0.355SS..  trans-118.8107.1176.1-47.70000109.4G212 T278G212-T276 WeakPolarHBondContact O-CG2 3.38Å; T276-T278 HydrophobicContact CG2-CG2 3.82Å; T276-T278 PolarHBondContact O-N 2.9Å
277P92.6Very high89.9Confident2 Ų265.5 Ų65.51%0.01333%0.334CS..  trans-75.2112175.430.7-31.9000109.7I215 V236 V254 L301I215-P277 HydrophobicContact CD1-CG 3.88Å; V236-P277 HydrophobicContact CG1-CB 4.3Å; V254-P277 HydrophobicContact CB-CB 4.38Å; V254-P277 HydrophobicContact CG2-CB 3.78Å; P277-L301 HydrophobicContact CB-CD1 4.08Å
278T90.1Very high89.7Confident35 Ų3563.6 Ų63.622%0.21532%0.321CS..  trans-125.2147.9177.663.50000111.4T276 D280 N282T276-T278 HydrophobicContact CG2-CG2 3.82Å; T276-T278 PolarHBondContact O-N 2.9Å; T278-D280 VanDerWaalsContact C-N 3.31Å; T278-D280 PolarHBondContact O-N 3.32Å; T278-N282 PolarHBondContact O-ND2 2.88Å
279L88.2Confident89.5Confident14 Ų1458.8 Ų58.87%0.07329%0.291CS..SBendtrans-64.4-36.3178178.657.2000112K281 N282 R283 L288 L290 L294 T299 L301L279-K281 PolarHBondContact O-N 3.13Å; L279-K281 VanDerWaalsContact O-N 3.13Å; L279-N282 CarbonylContact O-C 3.5Å; L279-N282 WeakPolarHBondContact O-CA 3.39Å; L279-N282 PolarHBondContact O-N 3.15Å; L279-R283 HydrophobicContact CG-CG 4.35Å; L279-R283 VanDerWaalsContact O-CG 3.31Å; L279-R283 WeakPolarHBondContact O-CG 3.19Å; L279-R283 PolarHBondContact O-N 2.73Å; L279-R283 VanDerWaalsContact O-N 3.15Å; L279-L288 HydrophobicContact CD1-CD2 3.83Å; L279-L290 HydrophobicContact CD1-CD2 3.41Å; L279-L290 VanDerWaalsContact CD1-CD2 3.41Å; L279-L290 HydrophobicContact CD2-CD2 4.21Å; L279-L290 HydrophobicContact CG-CD2 4.45Å; L279-L294 HydrophobicContact CD1-CD1 4.42Å; L279-L294 HydrophobicContact CD2-CD1 4.44Å; L279-T299 HydrophobicContact CD2-CG2 4.12Å; L279-T299 VanDerWaalsContact CD2-O 3.26Å; L279-T299 WeakPolarHBondContact CD2-O 3.41Å; L279-L301 HydrophobicContact CB-CG 4.45Å; L279-L301 HydrophobicContact CD1-CD2 4.17Å
280D86.4Confident89.4Confident108 Ų10857.1 Ų57.158%0.57828%0.284SS*.THydrogen-bonded Turntrans-56-35.2-174.7-62-41.1000114.2T278 N282 R283T278-D280 VanDerWaalsContact C-N 3.31Å; T278-D280 PolarHBondContact O-N 3.32Å; D280-N282 VanDerWaalsContact C-N 3.29Å; D280-N282 PolarHBondContact O-N 2.73Å; D280-R283 IonicContact OD1-CZ 3.23Å; D280-R283 IonicContact OD1-NE 2.79Å; D280-R283 PolarHBondContact OD1-NE 3.45Å; D280-R283 IonicContact OD1-NH2 2.82Å; D280-R283 PolarHBondContact OD1-NH2 2.85Å
281K84.7Confident89Confident166 Ų16653 Ų5372%0.72226%0.255SS*.THydrogen-bonded Turntrans-83-4.4178.6-64.2-179.7-179.8176.30113.7L279L279-K281 PolarHBondContact O-N 3.13Å; L279-K281 VanDerWaalsContact O-N 3.13Å
282N85.3Confident88.4Confident4 Ų449.5 Ų49.52%0.02124%0.242CC..THydrogen-bonded Turntrans-128.36.8-169.1-64.9-75.1000113.6V254 T278 L279 D280 E284 K285 L288V254-N282 WeakPolarHBondContact CA-OD1 3.41Å; V254-N282 PolarHBondContact O-ND2 3.29Å; V254-N282 PolarHBondContact O-OD1 2.56Å; T278-N282 PolarHBondContact O-ND2 2.88Å; L279-N282 CarbonylContact O-C 3.5Å; L279-N282 WeakPolarHBondContact O-CA 3.39Å; L279-N282 PolarHBondContact O-N 3.15Å; D280-N282 VanDerWaalsContact C-N 3.29Å; D280-N282 PolarHBondContact O-N 2.73Å; N282-E284 PolarHBondContact O-N 2.98Å; N282-K285 HydrophobicContact CB-CD 4.11Å; N282-K285 WeakPolarHBondContact O-CB 3.48Å; N282-K285 PolarHBondContact O-N 3.37Å; N282-K285 WeakPolarHBondContact OD1-CD 3.46Å; N282-K285 VanDerWaalsContact OD1-CE 3.27Å; N282-K285 WeakPolarHBondContact OD1-CE 3.47Å; N282-K285 PolarHBondContact OD1-NZ 2.81Å; N282-L288 HydrophobicContact CB-CD2 3.93Å
283R81.8Confident87.5Confident87 Ų8748.9 Ų48.933%0.32823%0.233SC..THydrogen-bonded Turntrans-60.7-15.8-174.6-64.1-172.3-179.5-1631.4115.4Q131 L279 D280 L294Q131-R283 PolarHBondContact NE2-O 2.92Å; L279-R283 HydrophobicContact CG-CG 4.35Å; L279-R283 VanDerWaalsContact O-CG 3.31Å; L279-R283 WeakPolarHBondContact O-CG 3.19Å; L279-R283 PolarHBondContact O-N 2.73Å; L279-R283 VanDerWaalsContact O-N 3.15Å; D280-R283 IonicContact OD1-CZ 3.23Å; D280-R283 IonicContact OD1-NE 2.79Å; D280-R283 PolarHBondContact OD1-NE 3.45Å; D280-R283 IonicContact OD1-NH2 2.82Å; D280-R283 PolarHBondContact OD1-NH2 2.85Å; R283-L294 HydrophobicContact CB-CD1 4.46Å; R283-L294 HydrophobicContact CG-CD1 4.39Å
284E79.5Confident86.5Confident186 Ų18650.9 Ų50.987%0.86924%0.244SC*.THydrogen-bonded Turntrans-99.8-1.1-179.5-62.9177179.800112.3N282 R286N282-E284 PolarHBondContact O-N 2.98Å; E284-R286 PolarHBondContact O-N 3.25Å
285K82.9Confident85.6Confident62 Ų6249.9 Ų49.927%0.2723%0.233SC..  trans-82119.9-173.7-68.9-175.8177.9168.90111.4Q131 P253 N282 L288Q131-K285 VanDerWaalsContact CD-O 3.26Å; Q131-K285 PolarHBondContact OE1-O 2.9Å; P253-K285 PolarHBondContact O-NZ 2.8Å; N282-K285 HydrophobicContact CB-CD 4.11Å; N282-K285 WeakPolarHBondContact O-CB 3.48Å; N282-K285 PolarHBondContact O-N 3.37Å; N282-K285 WeakPolarHBondContact OD1-CD 3.46Å; N282-K285 VanDerWaalsContact OD1-CE 3.27Å; N282-K285 WeakPolarHBondContact OD1-CE 3.47Å; N282-K285 PolarHBondContact OD1-NZ 2.81Å; K285-L288 HydrophobicContact CB-CB 4.47Å; K285-L288 WeakPolarHBondContact O-CB 3.39Å
286R81.2Confident84.8Confident130 Ų13050.9 Ų50.949%0.49124%0.238SC..THydrogen-bonded Turntrans-62.3141.1170.2-179.7174.4-166.8-116.33.6111.8G133 D136 C252 E284 L288G133-R286 VanDerWaalsContact CA-CD 3.45Å; G133-R286 VanDerWaalsContact CA-CG 3.46Å; D136-R286 IonicContact OD1-NH2 2.76Å; D136-R286 PolarHBondContact OD1-NH2 2.81Å; D136-R286 VanDerWaalsContact OD1-NH2 3.16Å; D136-R286 IonicContact OD2-CZ 3.16Å; D136-R286 VanDerWaalsContact OD2-CZ 3.23Å; D136-R286 IonicContact OD2-NE 3.55Å; D136-R286 PolarHBondContact OD2-NE 3.16Å; D136-R286 IonicContact OD2-NH2 2.72Å; D136-R286 PolarHBondContact OD2-NH2 2.77Å; C252-R286 PolarHBondContact SG-O 3.31Å; C252-R286 VanDerWaalsContact SG-O 3.4Å; E284-R286 PolarHBondContact O-N 3.25Å; R286-L288 PolarHBondContact O-N 2.94Å
287G80.1Confident84Confident3 Ų354.4 Ų54.43%0.03125%0.251CS..THydrogen-bonded Turntrans73.514.4173.300000114Q131 C252Q131-G287 PolarHBondContact O-N 2.84Å; C252-G287 VanDerWaalsContact SG-C 3.56Å; C252-G287 PolarHBondContact SG-O 2.82Å; C252-G287 VanDerWaalsContact SG-O 3.37Å
288L89.1Confident83.5Confident0 Ų056.9 Ų56.90%026%0.263CS..  trans-75.6126.8173.7-173.471.9000109.8Q131 C252 V254 L279 N282 K285 R286 L290 L301Q131-L288 HydrophobicContact CB-CB 4.17Å; Q131-L288 WeakPolarHBondContact CB-O 3.45Å; Q131-L288 PolarHBondContact N-O 2.78Å; C252-L288 HydrophobicContact CB-CD1 4.05Å; V254-L288 HydrophobicContact CG1-CD1 3.59Å; L279-L288 HydrophobicContact CD1-CD2 3.83Å; N282-L288 HydrophobicContact CB-CD2 3.93Å; K285-L288 HydrophobicContact CB-CB 4.47Å; K285-L288 WeakPolarHBondContact O-CB 3.39Å; R286-L288 PolarHBondContact O-N 2.94Å; L288-L290 HydrophobicContact CD2-CD2 3.87Å; L288-L290 HydrophobicContact CG-CD2 4.09Å; L288-L301 HydrophobicContact CD1-CD2 3.87Å; L288-L301 HydrophobicContact CD2-CD2 3.79Å; L288-L301 HydrophobicContact CG-CD2 4.04Å
289A91.7Very high83.3Confident0 Ų055.6 Ų55.60%026%0.256CS..EExtended strand (participates in β ladder)trans-80.8130.3174.300000110.7V128 L130 Q238 A240 A302 V320V128-A289 HydrophobicContact CG1-CB 3.95Å; L130-A289 HydrophobicContact CD2-CB 3.85Å; Q238-A289 PolarHBondContact NE2-O 2.82Å; A240-A289 HydrophobicContact CB-CB 3.97Å; A289-A302 HydrophobicContact CB-CB 3.72Å; A289-A302 WeakPolarHBondContact O-CB 3.37Å; A289-A302 PolarHBondContact O-N 2.97Å; A289-V320 HydrophobicContact CB-CG1 4.45Å; A289-V320 HydrophobicContact CB-CG2 3.72Å
290L91.6Very high83.4Confident2 Ų257.6 Ų57.61%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-121.4152.3-179.1-55.2179.3000109.8V128 T129 Q131 L279 L288 G292 L294 T299 N300 L301V128-L290 CarbonylContact C-O 3.58Å; V128-L290 WeakPolarHBondContact CA-O 3.17Å; T129-L290 PolarHBondContact N-O 2.82Å; T129-L290 PolarHBondContact O-N 2.84Å; Q131-L290 HydrophobicContact CB-CD1 4.5Å; L279-L290 HydrophobicContact CD1-CD2 3.41Å; L279-L290 VanDerWaalsContact CD1-CD2 3.41Å; L279-L290 HydrophobicContact CD2-CD2 4.21Å; L279-L290 HydrophobicContact CG-CD2 4.45Å; L288-L290 HydrophobicContact CD2-CD2 3.87Å; L288-L290 HydrophobicContact CG-CD2 4.09Å; L290-G292 WeakPolarHBondContact CB-O 3.29Å; L290-G292 PolarHBondContact O-N 3.38Å; L290-L294 HydrophobicContact CD1-CB 4.13Å; L290-L294 HydrophobicContact CD1-CD1 3.97Å; L290-T299 HydrophobicContact CB-CG2 4Å; L290-T299 HydrophobicContact CD1-CG2 4.27Å; L290-N300 WeakPolarHBondContact CA-O 3.35Å; L290-L301 HydrophobicContact CD2-CD2 4.49Å
291D87.6Confident83.7Confident8 Ų852.6 Ų52.64%0.04324%0.24CC..SBendtrans-849173.966.74.1000113R170 N300 H346R170-D291 WeakPolarHBondContact CD-O 3.28Å; R170-D291 PolarHBondContact NH1-O 3.38Å; R170-D291 IonicContact NH1-OD1 2.79Å; D291-N300 PolarHBondContact N-O 2.88Å; D291-N300 VanDerWaalsContact N-O 3.16Å; D291-N300 PolarHBondContact OD1-N 2.87Å; D291-H346 IonicContact OD2-CD2 3.71Å; D291-H346 IonicContact OD2-CE1 2.67Å; D291-H346 IonicContact OD2-NE2 2.64Å; D291-H346 PolarHBondContact OD2-NE2 2.72Å
292G83.9Confident84Confident7 Ų744.7 Ų44.77%0.07221%0.206CC..SBendtrans-171.5-170.9-17400000111.8L290L290-G292 WeakPolarHBondContact CB-O 3.29Å; L290-G292 PolarHBondContact O-N 3.38Å
293K78.3Confident84.4Confident66 Ų6645.4 Ų45.429%0.28721%0.211SC..  trans-87.7134.8177.1-58.8-170.5176.9-169.60109.6K295 H296 T299K293-K295 HydrophobicContact CB-CG 4.15Å; K293-K295 PolarHBondContact O-N 3.37Å; K293-H296 PolarHBondContact O-N 2.81Å; K293-T299 PolarHBondContact O-OG1 3.5Å
294L76.9Confident84.9Confident53 Ų5341.7 Ų41.728%0.27720%0.198SC..THydrogen-bonded Turntrans-52.3-25.7-179.5-168.967.3000114.4L279 R283 L290 H296 L396L279-L294 HydrophobicContact CD1-CD1 4.42Å; L279-L294 HydrophobicContact CD2-CD1 4.44Å; R283-L294 HydrophobicContact CB-CD1 4.46Å; R283-L294 HydrophobicContact CG-CD1 4.39Å; L290-L294 HydrophobicContact CD1-CB 4.13Å; L290-L294 HydrophobicContact CD1-CD1 3.97Å; L294-H296 VanDerWaalsContact C-N 3.31Å; L294-H296 PolarHBondContact O-N 2.86Å; L294-L396 WeakPolarHBondContact O-CD1 3.05Å
295K75.5Confident85.3Confident57 Ų5734.5 Ų34.525%0.24817%0.167CC..THydrogen-bonded Turntrans-73.9-15.8177.470.1-176.9-176.1178.30114.6K293 R395 L396K293-K295 HydrophobicContact CB-CG 4.15Å; K293-K295 PolarHBondContact O-N 3.37Å; K295-R395 CarbonylContact O-C 3.5Å; K295-R395 VanDerWaalsContact O-CA 3.31Å; K295-R395 WeakPolarHBondContact O-CA 2.96Å; K295-L396 PolarHBondContact O-N 3.1Å
296H80.1Confident85.4Confident29 Ų2933.7 Ų33.713%0.13417%0.165CC..BIsolated β-bridgetrans-92.6137.7-178.1-50.4151.6000111.2K293 L294 D298 T299 R393 L394 L396K293-H296 PolarHBondContact O-N 2.81Å; L294-H296 VanDerWaalsContact C-N 3.31Å; L294-H296 PolarHBondContact O-N 2.86Å; H296-D298 VanDerWaalsContact C-N 3.25Å; H296-D298 WeakPolarHBondContact CB-OD1 3.43Å; H296-D298 PolarHBondContact O-N 3.45Å; H296-T299 WeakPolarHBondContact O-CB 3.5Å; H296-T299 PolarHBondContact O-N 2.95Å; H296-T299 PolarHBondContact O-OG1 2.9Å; H296-R393 HydrophobicContact CB-CB 4.23Å; H296-R393 WeakPolarHBondContact ND1-CD 3.46Å; H296-L394 WeakPolarHBondContact CA-O 3.46Å; H296-L396 WeakPolarHBondContact O-CD1 3.39Å
297E77.6Confident85.1Confident124 Ų12429.7 Ų29.758%0.57916%0.155SC*.THydrogen-bonded Turntrans-63.4-29.7-179.2-174177.1-174.700113.5T299 L394 L396E297-T299 VanDerWaalsContact C-N 3.27Å; E297-T299 PolarHBondContact O-N 3.48Å; E297-L394 HydrophobicContact CB-CB 4.48Å; E297-L394 PolarHBondContact N-O 3.16Å; E297-L396 HydrophobicContact CB-CG 4.35Å
298D81.7Confident84.4Confident53 Ų5336.7 Ų36.728%0.28319%0.185SC..THydrogen-bonded Turntrans-89.618.6-178.464.6-14.5000113.9R170 H296 R393R170-D298 IonicContact CZ-OD2 3.46Å; R170-D298 PolarHBondContact NH1-O 2.88Å; R170-D298 IonicContact NH2-OD2 3.97Å; R170-D298 PolarHBondContact NH2-OD2 2.79Å; H296-D298 VanDerWaalsContact C-N 3.25Å; H296-D298 WeakPolarHBondContact CB-OD1 3.43Å; H296-D298 PolarHBondContact O-N 3.45Å; D298-R393 IonicContact OD2-CZ 2.99Å; D298-R393 IonicContact OD2-NH1 3.79Å; D298-R393 PolarHBondContact OD2-NH1 2.94Å
299T85.4Confident83.2Confident8 Ų841.8 Ų41.85%0.04921%0.212CC..  trans-92.6134.3178.6-61.80000110.8L279 L290 K293 H296 E297L279-T299 HydrophobicContact CD2-CG2 4.12Å; L279-T299 VanDerWaalsContact CD2-O 3.26Å; L279-T299 WeakPolarHBondContact CD2-O 3.41Å; L290-T299 HydrophobicContact CB-CG2 4Å; L290-T299 HydrophobicContact CD1-CG2 4.27Å; K293-T299 PolarHBondContact O-OG1 3.5Å; H296-T299 WeakPolarHBondContact O-CB 3.5Å; H296-T299 PolarHBondContact O-N 2.95Å; H296-T299 PolarHBondContact O-OG1 2.9Å; E297-T299 VanDerWaalsContact C-N 3.27Å; E297-T299 PolarHBondContact O-N 3.48Å
300N90Very high81.7Confident57 Ų5745.3 Ų45.331%0.30523%0.233SC..  trans-126-179.6175.7-69.4-77.7000110.5L290 D291L290-N300 WeakPolarHBondContact CA-O 3.35Å; D291-N300 PolarHBondContact N-O 2.88Å; D291-N300 VanDerWaalsContact N-O 3.16Å; D291-N300 PolarHBondContact OD1-N 2.87Å
301L92.1Very high80.1Confident2 Ų250.2 Ų50.21%0.0126%0.264CS..BIsolated β-bridgetrans-57.8143.4166.1-62.7175.2000109.2H211 V254 P277 L279 L288 L290 S303 Y322 L344H211-L301 PolarHBondContact CE1-O 3.33Å; H211-L301 PolarHBondContact NE2-O 3.41Å; V254-L301 HydrophobicContact CB-CD1 4.31Å; V254-L301 HydrophobicContact CG1-CD1 4.38Å; V254-L301 HydrophobicContact CG1-CD2 4.3Å; P277-L301 HydrophobicContact CB-CD1 4.08Å; L279-L301 HydrophobicContact CB-CG 4.45Å; L279-L301 HydrophobicContact CD1-CD2 4.17Å; L288-L301 HydrophobicContact CD1-CD2 3.87Å; L288-L301 HydrophobicContact CD2-CD2 3.79Å; L288-L301 HydrophobicContact CG-CD2 4.04Å; L290-L301 HydrophobicContact CD2-CD2 4.49Å; L301-S303 PolarHBondContact O-N 2.97Å; L301-Y322 WeakPolarHBondContact CB-OH 3.41Å; L301-L344 HydrophobicContact CD1-CD2 4.44Å
302A92.6Very high79Confident1 Ų155.1 Ų55.11%0.00829%0.29CS..PPolyproline II helixtrans-59.2136.2177.900000110.6V128 A289 V320 Y322V128-A302 HydrophobicContact CG1-CB 4.06Å; V128-A302 HydrophobicContact CG2-CB 4.43Å; A289-A302 HydrophobicContact CB-CB 3.72Å; A289-A302 WeakPolarHBondContact O-CB 3.37Å; A289-A302 PolarHBondContact O-N 2.97Å; A302-V320 HydrophobicContact CB-CB 4.35Å; A302-V320 HydrophobicContact CB-CG1 4.07Å; A302-V320 HydrophobicContact CB-CG2 3.82Å; A302-Y322 VanDerWaalsContact O-CE2 3.24Å; A302-Y322 WeakPolarHBondContact O-CE2 3.18Å; A302-Y322 VanDerWaalsContact O-CZ 3.32Å; A302-Y322 PolarHBondContact O-OH 2.77Å
303S92.1Very high78Confident19 Ų1960.7 Ų60.713%0.13331%0.312CS..PPolyproline II helixtrans-69.9151.7175.5-61.80000110.8H211 L301 T305 L344H211-S303 PolarHBondContact NE2-OG 2.58Å; L301-S303 PolarHBondContact O-N 2.97Å; S303-T305 PolarHBondContact O-N 3.1Å; S303-L344 CarbonylContact C-O 3.56Å; S303-L344 VanDerWaalsContact CA-O 3.22Å; S303-L344 WeakPolarHBondContact CA-O 3.44Å; S303-L344 WeakPolarHBondContact CB-O 3.37Å
304S92.4Very high77.2Confident9 Ų964 Ų646%0.06333%0.328CS..PPolyproline II helixtrans-56.1133.5173.4-70.50000110.4I306 V320 Y322 L344S304-I306 PolarHBondContact O-N 2.78Å; S304-V320 WeakPolarHBondContact CA-O 3.33Å; S304-Y322 WeakPolarHBondContact OG-CD2 3.46Å; S304-L344 PolarHBondContact N-O 3.11Å; S304-L344 PolarHBondContact OG-N 3.28Å
305T89.2Confident76.6Confident35 Ų3563.5 Ų63.522%0.21533%0.327CS..  trans-82.4115.2178.7-46.70000110.1S303 V307 L319 V320S303-T305 PolarHBondContact O-N 3.1Å; T305-V307 HydrophobicContact CG2-CG2 3.95Å; T305-L319 HydrophobicContact CG2-CD2 3.65Å; T305-V320 PolarHBondContact N-O 2.98Å; T305-V320 PolarHBondContact OG1-N 2.78Å
306I84.3Confident76.3Confident44 Ų4461.7 Ų61.723%0.22632%0.32CS..  trans-97.6121.2173.1-56.5177.8000108.6L32 Q173 P176 S304 I343 M345L32-I306 HydrophobicContact CD1-CG2 4.31Å; L32-I306 HydrophobicContact CD2-CB 4.02Å; L32-I306 HydrophobicContact CD2-CG2 3.71Å; Q173-I306 PolarHBondContact NE2-O 2.67Å; Q173-I306 VanDerWaalsContact OE1-N 3.13Å; P176-I306 HydrophobicContact CG-CD1 4.38Å; S304-I306 PolarHBondContact O-N 2.78Å; I306-I343 HydrophobicContact CD1-CD1 4.49Å; I306-I343 HydrophobicContact CD1-CG2 4.4Å; I306-M345 HydrophobicContact CD1-CE 3.84Å; I306-M345 HydrophobicContact CD1-SD 3.47Å; I306-M345 WeakPolarHBondContact CD1-SD 3.44Å; I306-M345 HydrophobicContact CG1-CE 4.3Å; I306-M345 HydrophobicContact CG1-SD 4.2Å
307V75Confident76.5Confident47 Ų4760.3 Ų60.329%0.28531%0.314SS..  trans-116.8122.8-177.7-174.70000108.9T305 D309 V310 L316 L319T305-V307 HydrophobicContact CG2-CG2 3.95Å; V307-D309 WeakPolarHBondContact CG1-O 3.27Å; V307-V310 HydrophobicContact CG1-CG2 4.32Å; V307-L316 HydrophobicContact CG1-CD1 3.97Å; V307-L316 HydrophobicContact CG1-CD2 4.19Å; V307-L316 HydrophobicContact CG2-CD1 4.06Å; V307-L316 HydrophobicContact CG2-CD2 4.37Å; V307-L319 HydrophobicContact CG2-CD2 4.02Å
308K65.4Low76.9Confident150 Ų15054.5 Ų54.565%0.65229%0.287SS*.SBendtrans-75.3-36.6178-99.2-177179.1168.10113.2L32L32-K308 HydrophobicContact CB-CD 4.44Å; L32-K308 WeakPolarHBondContact O-CD 3.41Å; L32-K308 WeakPolarHBondContact O-CE 3.39Å; L32-K308 PolarHBondContact O-NZ 2.79Å
309D63Low77.3Confident106 Ų10653.7 Ų53.757%0.56728%0.282SS*.  trans-140.5126.8179.6-167.71.7000110.6V307 T311V307-D309 WeakPolarHBondContact CG1-O 3.27Å; D309-T311 VanDerWaalsContact C-N 3.31Å; D309-T311 WeakPolarHBondContact OD1-CG2 3.31Å; D309-T311 PolarHBondContact OD1-N 2.84Å; D309-T311 PolarHBondContact OD1-OG1 3.03Å; D309-T311 PolarHBondContact OD2-OG1 2.69Å
310V60.9Low77.7Confident74 Ų7453.5 Ų53.545%0.44828%0.281SS..  trans-94.77.8-170.3-170.20000111.3V307 N312 K313V307-V310 HydrophobicContact CG1-CG2 4.32Å; V310-N312 PolarHBondContact O-N 2.79Å; V310-K313 HydrophobicContact CG1-CD 3.97Å; V310-K313 HydrophobicContact CG1-CG 3.54Å
311T58.3Low77.9Confident106 Ų10652.6 Ų52.665%0.6528%0.28SS*.THydrogen-bonded Turntrans-54.5-28.4-175.132.90000114.2D309D309-T311 VanDerWaalsContact C-N 3.31Å; D309-T311 WeakPolarHBondContact OD1-CG2 3.31Å; D309-T311 PolarHBondContact OD1-N 2.84Å; D309-T311 PolarHBondContact OD1-OG1 3.03Å; D309-T311 PolarHBondContact OD2-OG1 2.69Å
312N63.4Low78Confident110 Ų11052.6 Ų52.659%0.58828%0.279SS*.THydrogen-bonded Turntrans-130.774176.1-80.8-32.6000113.4V310 E314 V315V310-N312 PolarHBondContact O-N 2.79Å; N312-E314 PolarHBondContact O-N 3.43Å; N312-E314 VanDerWaalsContact O-N 3.14Å; N312-V315 HydrophobicContact CB-CB 4.47Å; N312-V315 HydrophobicContact CB-CG2 4.04Å; N312-V315 PolarHBondContact O-N 2.8Å; N312-V315 VanDerWaalsContact O-N 3.09Å
313K63.8Low78.2Confident125 Ų12557.5 Ų57.554%0.54330%0.298SS..G310 helixtrans-53.5-32.6176.6-70.6-173.2179.3-177.80114.1C243 V310 V315 L316C243-K313 VanDerWaalsContact CB-O 3.25Å; C243-K313 WeakPolarHBondContact CB-O 3.4Å; V310-K313 HydrophobicContact CG1-CD 3.97Å; V310-K313 HydrophobicContact CG1-CG 3.54Å; K313-V315 VanDerWaalsContact C-N 3.25Å; K313-V315 PolarHBondContact O-N 2.81Å; K313-L316 WeakPolarHBondContact O-CB 3.27Å; K313-L316 PolarHBondContact O-N 2.68Å
314E61.7Low78.5Confident134 Ų13456.6 Ų56.663%0.62629%0.291SS*.G310 helixtrans-64.7-28.7-179.1-61.8-172.9175.400112.8L244 N312 L316L244-E314 WeakPolarHBondContact CD1-O 3.42Å; N312-E314 PolarHBondContact O-N 3.43Å; N312-E314 VanDerWaalsContact O-N 3.14Å; E314-L316 VanDerWaalsContact C-N 3.25Å; E314-L316 PolarHBondContact O-N 2.67Å
315V64.1Low78.7Confident43 Ų4357.7 Ų57.726%0.26130%0.295SS..G310 helixtrans-78.5-13.4-179.7-176.50000111.6P125 N312 K313 G317P125-V315 VanDerWaalsContact CD-O 3.29Å; P125-V315 WeakPolarHBondContact CD-O 3.26Å; N312-V315 HydrophobicContact CB-CB 4.47Å; N312-V315 HydrophobicContact CB-CG2 4.04Å; N312-V315 PolarHBondContact O-N 2.8Å; N312-V315 VanDerWaalsContact O-N 3.09Å; K313-V315 VanDerWaalsContact C-N 3.25Å; K313-V315 PolarHBondContact O-N 2.81Å; V315-G317 VanDerWaalsContact C-N 3.31Å; V315-G317 PolarHBondContact O-N 2.89Å
316L70.1Confident79Confident19 Ų1956 Ų5610%0.09929%0.285CS..G310 helixtrans-82.5-1.2-172.2-57.3173000114.4P125 V307 K313 E314 I318 L319P125-L316 VanDerWaalsContact CB-O 3.25Å; P125-L316 WeakPolarHBondContact CB-O 3.48Å; V307-L316 HydrophobicContact CG1-CD1 3.97Å; V307-L316 HydrophobicContact CG1-CD2 4.19Å; V307-L316 HydrophobicContact CG2-CD1 4.06Å; V307-L316 HydrophobicContact CG2-CD2 4.37Å; K313-L316 WeakPolarHBondContact O-CB 3.27Å; K313-L316 PolarHBondContact O-N 2.68Å; E314-L316 VanDerWaalsContact C-N 3.25Å; E314-L316 PolarHBondContact O-N 2.67Å; L316-I318 PolarHBondContact O-N 3.44Å; L316-L319 HydrophobicContact CB-CD2 3.73Å; L316-L319 HydrophobicContact CB-CG 4.26Å; L316-L319 HydrophobicContact CD1-CD1 4.29Å; L316-L319 HydrophobicContact CD1-CD2 3.99Å; L316-L319 HydrophobicContact CG-CD2 4.4Å
317G82.6Confident79.6Confident0 Ų057.1 Ų57.10%029%0.288CS..  trans61.3-95.8174.400000113.4C243 V315C243-G317 PolarHBondContact N-O 3.03Å; V315-G317 VanDerWaalsContact C-N 3.31Å; V315-G317 PolarHBondContact O-N 2.89Å
318I87.7Confident80.6Confident3 Ų354.9 Ų54.92%0.01527%0.274CS..EExtended strand (participates in β ladder)trans-121.4117.4-179.6-49.6-177.9000109F62 V128 L130 A240 D241 L316 V320F62-I318 HydrophobicContact CE2-CD1 4.17Å; F62-I318 HydrophobicContact CE2-CG1 3.72Å; V128-I318 HydrophobicContact CB-CB 4.44Å; V128-I318 HydrophobicContact CG1-CB 4.2Å; V128-I318 HydrophobicContact CG1-CD1 4.33Å; V128-I318 HydrophobicContact CG1-CG2 4.07Å; L130-I318 HydrophobicContact CD1-CD1 3.79Å; L130-I318 HydrophobicContact CG-CD1 3.86Å; A240-I318 HydrophobicContact CB-CG2 4.14Å; D241-I318 WeakPolarHBondContact O-CA 3.4Å; L316-I318 PolarHBondContact O-N 3.44Å; I318-V320 HydrophobicContact CG2-CG2 4.3Å
319L89.6Confident82Confident35 Ų3549.1 Ų49.118%0.18325%0.252CS..EExtended strand (participates in β ladder)trans-94.4121.8174.6-63.9179.9000110A240 D241 T305 V307 L316A240-L319 CarbonylContact C-O 3.54Å; A240-L319 WeakPolarHBondContact CA-O 3.39Å; D241-L319 HydrophobicContact CB-CB 4.28Å; D241-L319 PolarHBondContact N-O 2.87Å; D241-L319 PolarHBondContact O-N 2.98Å; T305-L319 HydrophobicContact CG2-CD2 3.65Å; V307-L319 HydrophobicContact CG2-CD2 4.02Å; L316-L319 HydrophobicContact CB-CD2 3.73Å; L316-L319 HydrophobicContact CB-CG 4.26Å; L316-L319 HydrophobicContact CD1-CD1 4.29Å; L316-L319 HydrophobicContact CD1-CD2 3.99Å; L316-L319 HydrophobicContact CG-CD2 4.4Å
320V92.8Very high83.4Confident4 Ų444.5 Ų44.52%0.02423%0.227CC..EExtended strand (participates in β ladder)trans-105.6128.7179.2-176.40000109.5V128 Q238 Y239 A289 A302 S304 T305 I318 Y322V128-V320 HydrophobicContact CG1-CG2 3.97Å; V128-V320 HydrophobicContact CG2-CG2 4.43Å; Q238-V320 HydrophobicContact CG-CG1 3.88Å; Y239-V320 CarbonylContact O-C 3.49Å; Y239-V320 WeakPolarHBondContact O-CA 3.27Å; A289-V320 HydrophobicContact CB-CG1 4.45Å; A289-V320 HydrophobicContact CB-CG2 3.72Å; A302-V320 HydrophobicContact CB-CB 4.35Å; A302-V320 HydrophobicContact CB-CG1 4.07Å; A302-V320 HydrophobicContact CB-CG2 3.82Å; S304-V320 WeakPolarHBondContact CA-O 3.33Å; T305-V320 PolarHBondContact N-O 2.98Å; T305-V320 PolarHBondContact OG1-N 2.78Å; I318-V320 HydrophobicContact CG2-CG2 4.3Å; V320-Y322 HydrophobicContact CG1-CD2 4.38Å; V320-Y322 HydrophobicContact CG1-CE2 3.68Å
321S94.3Very high84.7Confident39 Ų3942.2 Ų42.227%0.27321%0.214SC..EExtended strand (participates in β ladder)trans-136.8153.5173.565.50000111.4Y239Y239-S321 PolarHBondContact N-O 3.03Å; Y239-S321 PolarHBondContact O-N 2.98Å
322Y95.8Very high85.9Confident2 Ų248.5 Ų48.51%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-121.2144.4179.8-68.2-97.8000111.3R237 Q238 V254 L301 A302 S304 V320 F342 L344R237-Y322 WeakPolarHBondContact O-CA 3.33Å; Q238-Y322 HydrophobicContact CB-CD1 3.98Å; Q238-Y322 HydrophobicContact CB-CE1 3.62Å; Q238-Y322 HydrophobicContact CG-CD1 4.26Å; Q238-Y322 HydrophobicContact CG-CE1 3.67Å; Q238-Y322 HydrophobicContact CG-CE2 4.34Å; Q238-Y322 PolarHBondContact NE2-OH 3.4Å; V254-Y322 HydrophobicContact CG2-CD1 4.45Å; V254-Y322 HydrophobicContact CG2-CE1 4.33Å; L301-Y322 WeakPolarHBondContact CB-OH 3.41Å; A302-Y322 VanDerWaalsContact O-CE2 3.24Å; A302-Y322 WeakPolarHBondContact O-CE2 3.18Å; A302-Y322 VanDerWaalsContact O-CZ 3.32Å; A302-Y322 PolarHBondContact O-OH 2.77Å; S304-Y322 WeakPolarHBondContact OG-CD2 3.46Å; V320-Y322 HydrophobicContact CG1-CD2 4.38Å; V320-Y322 HydrophobicContact CG1-CE2 3.68Å; Y322-F342 VanDerWaalsContact CB-CE1 3.5Å; Y322-F342 VanDerWaalsContact CB-CZ 3.42Å; Y322-F342 HydrophobicContact CD1-CZ 4.19Å; Y322-F342 HydrophobicContact CG-CE2 4.39Å; Y322-F342 HydrophobicContact CG-CZ 4.05Å; Y322-F342 PolarHBondContact O-N 2.9Å; Y322-L344 HydrophobicContact CD1-CD2 4.3Å; Y322-L344 HydrophobicContact CD2-CB 3.84Å; Y322-L344 HydrophobicContact CD2-CD2 4.48Å; Y322-L344 HydrophobicContact CE1-CD2 3.78Å; Y322-L344 HydrophobicContact CE2-CB 3.89Å; Y322-L344 HydrophobicContact CE2-CD2 3.99Å; Y322-L344 HydrophobicContact CG-CB 4.27Å
323R96.3Very high86.5Confident104 Ų10444.8 Ų44.839%0.39221%0.214SC..EExtended strand (participates in β ladder)trans-139.7139.4173.5-50.9-177.6-177-177.3-3111.3R237 Y239 E339 L340R237-R323 PolarHBondContact N-O 2.82Å; R237-R323 PolarHBondContact O-N 2.86Å; Y239-R323 HydrophobicContact CD2-CG 4.11Å; Y239-R323 HydrophobicContact CE2-CB 3.95Å; Y239-R323 HydrophobicContact CE2-CG 3.79Å; R323-E339 IonicContact NH1-OE2 3.94Å; R323-L340 CarbonylContact C-O 3.59Å; R323-L340 WeakPolarHBondContact CA-O 3.3Å
324V97.1Very high87.5Confident0 Ų040.3 Ų40.30%020%0.203CC..EExtended strand (participates in β ladder)trans-87121.6165.1179.50000107.9L204 I215 V217 I234 V236 V326 E339 L340 F342L204-V324 HydrophobicContact CD1-CG2 4.16Å; L204-V324 HydrophobicContact CD2-CB 4.31Å; L204-V324 HydrophobicContact CD2-CG1 4.48Å; L204-V324 HydrophobicContact CD2-CG2 3.97Å; I215-V324 HydrophobicContact CG2-CG2 4.31Å; V217-V324 HydrophobicContact CG1-CG1 3.99Å; V217-V324 HydrophobicContact CG2-CG1 3.79Å; I234-V324 HydrophobicContact CG2-CG1 3.94Å; V236-V324 HydrophobicContact CG2-CG2 4.39Å; V324-V326 HydrophobicContact CG1-CG2 4.41Å; V324-E339 CarbonylContact O-C 3.6Å; V324-E339 VanDerWaalsContact O-CA 3.29Å; V324-E339 WeakPolarHBondContact O-CA 3.37Å; V324-L340 PolarHBondContact N-O 2.92Å; V324-L340 PolarHBondContact O-N 2.92Å; V324-F342 HydrophobicContact CG2-CD1 3.79Å; V324-F342 HydrophobicContact CG2-CE1 3.69Å
325K96.9Very high89Confident32 Ų3236.6 Ų36.614%0.13919%0.187CC..EExtended strand (participates in β ladder)trans-104.1120.4172.6-175.5180-168.8109.60109.8I234 S235 V338 E339I234-K325 CarbonylContact C-O 3.53Å; I234-K325 WeakPolarHBondContact CA-O 3.35Å; S235-K325 PolarHBondContact N-O 2.84Å; S235-K325 PolarHBondContact O-N 3.2Å; K325-V338 WeakPolarHBondContact CA-O 3.34Å; K325-E339 HydrophobicContact CB-CG 3.94Å; K325-E339 HydrophobicContact CD-CG 4.27Å; K325-E339 WeakPolarHBondContact CD-OE1 3.36Å; K325-E339 HydrophobicContact CG-CG 3.81Å; K325-E339 IonicContact NZ-OE1 2.67Å; K325-E339 PolarHBondContact NZ-OE1 3.3Å
326V97.1Very high90.3Very high0 Ų034.7 Ų34.70%018%0.176CC..EExtended strand (participates in β ladder)trans-101.1126.8169.8-178.10000107.8L200 A202 V217 V219 V232 I234 V324 S337 V338L200-V326 HydrophobicContact CD1-CG1 4.23Å; A202-V326 HydrophobicContact CB-CG2 4.01Å; V217-V326 HydrophobicContact CG1-CG2 3.85Å; V219-V326 HydrophobicContact CG1-CG1 4.02Å; V219-V326 HydrophobicContact CG2-CG1 3.89Å; V219-V326 HydrophobicContact CG2-CG2 4.09Å; V232-V326 HydrophobicContact CG1-CG1 4.33Å; I234-V326 HydrophobicContact CG1-CG2 4.47Å; V324-V326 HydrophobicContact CG1-CG2 4.41Å; V326-S337 CarbonylContact O-C 3.59Å; V326-S337 WeakPolarHBondContact O-CA 3.23Å; V326-S337 VanDerWaalsContact O-CB 3.23Å; V326-S337 WeakPolarHBondContact O-CB 3.09Å; V326-V338 HydrophobicContact CB-CG2 3.98Å; V326-V338 PolarHBondContact N-O 2.91Å; V326-V338 PolarHBondContact O-N 3.33Å
327K96.6Very high91.5Very high67 Ų6736.1 Ų36.129%0.29119%0.188SC..EExtended strand (participates in β ladder)trans-130.4118.3-177.9-177.2-180-177.4-167.40110.3K233 D335 V336K233-K327 HydrophobicContact CB-CB 4.33Å; K233-K327 PolarHBondContact N-O 2.85Å; K233-K327 PolarHBondContact O-N 3.42Å; K327-D335 HydrophobicContact CD-CB 4.48Å; K327-D335 WeakPolarHBondContact CE-OD2 2.97Å; K327-D335 HydrophobicContact CG-CB 4.29Å; K327-D335 IonicContact NZ-OD2 3.43Å; K327-D335 PolarHBondContact NZ-OD2 3.45Å; K327-V336 CarbonylContact C-O 3.51Å; K327-V336 WeakPolarHBondContact CA-O 3.42Å
328L95.1Very high92.2Very high0 Ų036.5 Ų36.50%019%0.19CC..EExtended strand (participates in β ladder)trans-88.9125.1171.4-55.9-178.6000109.7L198 L200 V221 V229 V232 V330 D335 V336L198-L328 HydrophobicContact CD2-CD1 4.19Å; L200-L328 HydrophobicContact CB-CD1 3.93Å; L200-L328 HydrophobicContact CD1-CD1 3.96Å; L200-L328 HydrophobicContact CD1-CD2 4.3Å; L200-L328 HydrophobicContact CD1-CG 4.14Å; L200-L328 HydrophobicContact CD2-CD1 4.02Å; L200-L328 HydrophobicContact CD2-CG 3.94Å; L200-L328 HydrophobicContact CG-CD1 4.18Å; L200-L328 HydrophobicContact CG-CG 4.49Å; V221-L328 HydrophobicContact CG1-CD1 3.89Å; V221-L328 HydrophobicContact CG2-CD1 3.88Å; V221-L328 HydrophobicContact CG2-CD2 3.96Å; V229-L328 HydrophobicContact CG1-CB 4.04Å; V229-L328 HydrophobicContact CG1-CD2 4.22Å; V229-L328 HydrophobicContact CG2-CD1 4.47Å; V232-L328 HydrophobicContact CB-CD2 4.41Å; V232-L328 HydrophobicContact CG1-CD2 4.11Å; V232-L328 HydrophobicContact CG2-CD2 3.79Å; L328-V330 HydrophobicContact CB-CG2 4.48Å; L328-D335 WeakPolarHBondContact O-CA 3.21Å; L328-D335 WeakPolarHBondContact O-CB 2.89Å; L328-V336 HydrophobicContact CB-CB 4.35Å; L328-V336 PolarHBondContact N-O 2.9Å; L328-V336 PolarHBondContact O-N 2.86Å; L328-V336 VanDerWaalsContact O-N 3.13Å
329V94.6Very high92.6Very high29 Ų2938.6 Ų38.618%0.17620%0.2CC..EExtended strand (participates in β ladder)trans-92.1111.8174.2-179.50000108.6K230 R231 K233 D335K230-V329 PolarHBondContact N-O 2.91Å; R231-V329 HydrophobicContact CG-CB 3.62Å; R231-V329 HydrophobicContact CG-CG1 4.28Å; R231-V329 HydrophobicContact CG-CG2 3.69Å; R231-V329 PolarHBondContact O-N 2.98Å; K233-V329 HydrophobicContact CD-CG2 4.24Å; K233-V329 HydrophobicContact CG-CG2 4.43Å; V329-D335 WeakPolarHBondContact CA-OD1 3.4Å
330V92.6Very high92.9Very high8 Ų837 Ų375%0.04819%0.191CC..EExtended strand (participates in β ladder)trans-101.1136.6-172.3-1740000110.5F191 L198 K227 V229 L328 R332 V336F191-V330 HydrophobicContact CE1-CG1 4.22Å; F191-V330 HydrophobicContact CE2-CG1 4.38Å; F191-V330 HydrophobicContact CZ-CB 4.26Å; F191-V330 HydrophobicContact CZ-CG1 3.8Å; F191-V330 HydrophobicContact CZ-CG2 4.09Å; L198-V330 HydrophobicContact CD2-CG2 3.78Å; K227-V330 HydrophobicContact CB-CG1 3.67Å; K227-V330 HydrophobicContact CD-CG1 3.87Å; K227-V330 HydrophobicContact CG-CG1 4.42Å; V229-V330 HydrophobicContact CG2-CG2 4.45Å; L328-V330 HydrophobicContact CB-CG2 4.48Å; V330-R332 PolarHBondContact O-N 2.85Å; V330-V336 HydrophobicContact CG2-CG2 4.35Å
331S89.1Confident93Very high26 Ų2640.6 Ų40.618%0.18221%0.214CC..THydrogen-bonded Turntrans-64.2124.9177.466.50000111.2T228 G333T228-S331 PolarHBondContact N-OG 3.21Å; T228-S331 VanDerWaalsContact N-OG 3.16Å; T228-S331 WeakPolarHBondContact O-CB 3.25Å; T228-S331 PolarHBondContact O-N 2.79Å; T228-S331 PolarHBondContact O-OG 3.01Å; T228-S331 VanDerWaalsContact O-OG 3.1Å; S331-G333 PolarHBondContact O-N 3.41Å
332R81.9Confident93Very high239 Ų23939 Ų3990%0.90220%0.203SC*.THydrogen-bonded Turntrans50.944.2174-58.3179.7175.7178.5-1.2111.9K227 V330K227-R332 PolarHBondContact NZ-O 3.16Å; V330-R332 PolarHBondContact O-N 2.85Å
333G77.1Confident92.9Very high31 Ų3140.7 Ų40.732%0.3221%0.212SC..SBendtrans-158.9168.5179.700000110.7S331S331-G333 PolarHBondContact O-N 3.41Å
334G85.5Confident92.8Very high31 Ų3135.8 Ų35.832%0.3219%0.193SC..PPolyproline II helixtrans-75.1137.8175.200000111.9R189R189-G334 PolarHBondContact NH1-O 3.05Å
335D91.6Very high92.5Very high56 Ų5635.8 Ų35.830%0.29919%0.193SC..PPolyproline II helixtrans-61.6138.4179.6-63-24000112.2R189 K327 L328 V329R189-D335 PolarHBondContact NH1-O 3Å; K327-D335 HydrophobicContact CD-CB 4.48Å; K327-D335 WeakPolarHBondContact CE-OD2 2.97Å; K327-D335 HydrophobicContact CG-CB 4.29Å; K327-D335 IonicContact NZ-OD2 3.43Å; K327-D335 PolarHBondContact NZ-OD2 3.45Å; L328-D335 WeakPolarHBondContact O-CA 3.21Å; L328-D335 WeakPolarHBondContact O-CB 2.89Å; V329-D335 WeakPolarHBondContact CA-OD1 3.4Å
336V93.1Very high92.1Very high4 Ų436 Ų362%0.02420%0.195CC..EExtended strand (participates in β ladder)trans-96.8135.7176-172.60000108.6T187 R189 F191 L198 L200 K327 L328 V330T187-V336 HydrophobicContact CG2-CG1 3.54Å; R189-V336 HydrophobicContact CB-CG2 3.88Å; R189-V336 HydrophobicContact CG-CG2 4.35Å; F191-V336 HydrophobicContact CZ-CG2 4.3Å; L198-V336 HydrophobicContact CD2-CG2 3.87Å; L200-V336 HydrophobicContact CB-CG1 4.22Å; L200-V336 HydrophobicContact CD2-CG1 3.95Å; K327-V336 CarbonylContact C-O 3.51Å; K327-V336 WeakPolarHBondContact CA-O 3.42Å; L328-V336 HydrophobicContact CB-CB 4.35Å; L328-V336 PolarHBondContact N-O 2.9Å; L328-V336 PolarHBondContact O-N 2.86Å; L328-V336 VanDerWaalsContact O-N 3.13Å; V330-V336 HydrophobicContact CG2-CG2 4.35Å
337S95.1Very high91.5Very high49 Ų4939.2 Ų39.234%0.34322%0.215SC..EExtended strand (participates in β ladder)trans-147146.1174.668.40000113.4V326V326-S337 CarbonylContact O-C 3.59Å; V326-S337 WeakPolarHBondContact O-CA 3.23Å; V326-S337 VanDerWaalsContact O-CB 3.23Å; V326-S337 WeakPolarHBondContact O-CB 3.09Å
338V96.2Very high90.7Very high7 Ų740 Ų404%0.04222%0.219CC..EExtended strand (participates in β ladder)trans-121.5153.1170.7-65.80000109.7V185 T187 L200 A202 K325 V326 L340V185-V338 HydrophobicContact CG1-CB 4.05Å; V185-V338 HydrophobicContact CG1-CG1 4.07Å; T187-V338 HydrophobicContact CG2-CG1 3.38Å; L200-V338 HydrophobicContact CD2-CG1 4.12Å; L200-V338 HydrophobicContact CD2-CG2 3.96Å; L200-V338 HydrophobicContact CG-CG1 4.4Å; L200-V338 HydrophobicContact CG-CG2 4.24Å; A202-V338 HydrophobicContact CB-CG2 3.84Å; K325-V338 WeakPolarHBondContact CA-O 3.34Å; V326-V338 HydrophobicContact CB-CG2 3.98Å; V326-V338 PolarHBondContact N-O 2.91Å; V326-V338 PolarHBondContact O-N 3.33Å; V338-L340 HydrophobicContact CG2-CD1 4.34Å
339E96.3Very high89.7Confident48 Ų4843.8 Ų43.822%0.22424%0.243CC..EExtended strand (participates in β ladder)trans-125.2125.4174.8-65.1-168.7-179.200109.3R237 Y239 R323 V324 K325R237-E339 IonicContact NH1-OE1 3.66Å; Y239-E339 PolarHBondContact OH-OE1 2.9Å; Y239-E339 PolarHBondContact OH-OE2 2.96Å; R323-E339 IonicContact NH1-OE2 3.94Å; V324-E339 CarbonylContact O-C 3.6Å; V324-E339 VanDerWaalsContact O-CA 3.29Å; V324-E339 WeakPolarHBondContact O-CA 3.37Å; K325-E339 HydrophobicContact CB-CG 3.94Å; K325-E339 HydrophobicContact CD-CG 4.27Å; K325-E339 WeakPolarHBondContact CD-OE1 3.36Å; K325-E339 HydrophobicContact CG-CG 3.81Å; K325-E339 IonicContact NZ-OE1 2.67Å; K325-E339 PolarHBondContact NZ-OE1 3.3Å
340L95.6Very high88.3Confident0 Ų049.1 Ų49.10%028%0.275CS..EExtended strand (participates in β ladder)trans-107.4122.2177-61.3100.2000109.5P183 V185 A202 L204 R323 V324 V338P183-L340 HydrophobicContact CB-CB 4.48Å; P183-L340 HydrophobicContact CB-CD2 4.23Å; P183-L340 WeakPolarHBondContact O-CD2 3.47Å; V185-L340 HydrophobicContact CB-CD2 4.4Å; V185-L340 HydrophobicContact CB-CG 4.25Å; V185-L340 HydrophobicContact CG2-CD2 4.22Å; V185-L340 HydrophobicContact CG2-CG 4.02Å; A202-L340 HydrophobicContact CB-CD1 3.73Å; A202-L340 WeakPolarHBondContact O-CD2 3.15Å; L204-L340 HydrophobicContact CD1-CB 4.12Å; L204-L340 HydrophobicContact CG-CB 4.3Å; L204-L340 HydrophobicContact CG-CD2 4.25Å; R323-L340 CarbonylContact C-O 3.59Å; R323-L340 WeakPolarHBondContact CA-O 3.3Å; V324-L340 PolarHBondContact N-O 2.92Å; V324-L340 PolarHBondContact O-N 2.92Å; V338-L340 HydrophobicContact CG2-CD1 4.34Å
341P95.2Very high86.4Confident80 Ų8056.6 Ų56.652%0.51931%0.31SS..EExtended strand (participates in β ladder)trans-72.1148172.632.1-33.7000110.6
342F94.6Very high84.2Confident7 Ų760.7 Ų60.73%0.03134%0.336CS..EExtended strand (participates in β ladder)trans-150.7165.6169.674-85.5000110.4L204 E207 Y209 I215 V236 Y322 V324 L344L204-F342 HydrophobicContact CD1-CB 3.86Å; L204-F342 HydrophobicContact CD1-CD1 4.43Å; L204-F342 HydrophobicContact CD1-CG 4.42Å; E207-F342 CarbonylContact O-C 3.58Å; E207-F342 WeakPolarHBondContact O-CA 3.41Å; E207-F342 WeakPolarHBondContact O-CB 3.48Å; Y209-F342 HydrophobicContact CD2-CB 4.34Å; Y209-F342 AromaticContact CD2-CD2 3.66Å; Y209-F342 HydrophobicContact CD2-CD2 3.66Å; Y209-F342 HydrophobicContact CD2-CE2 4.31Å; Y209-F342 HydrophobicContact CD2-CG 4.26Å; Y209-F342 HydrophobicContact CE2-CB 4.33Å; Y209-F342 HydrophobicContact CE2-CD2 4.31Å; Y209-F342 HydrophobicContact CE2-CG 4.49Å; I215-F342 HydrophobicContact CD1-CD2 4.43Å; I215-F342 HydrophobicContact CD1-CE1 4.29Å; I215-F342 HydrophobicContact CD1-CE2 3.66Å; I215-F342 HydrophobicContact CD1-CZ 3.57Å; V236-F342 HydrophobicContact CG1-CE1 3.81Å; V236-F342 HydrophobicContact CG1-CZ 3.58Å; Y322-F342 VanDerWaalsContact CB-CE1 3.5Å; Y322-F342 VanDerWaalsContact CB-CZ 3.42Å; Y322-F342 HydrophobicContact CD1-CZ 4.19Å; Y322-F342 HydrophobicContact CG-CE2 4.39Å; Y322-F342 HydrophobicContact CG-CZ 4.05Å; Y322-F342 PolarHBondContact O-N 2.9Å; V324-F342 HydrophobicContact CG2-CD1 3.79Å; V324-F342 HydrophobicContact CG2-CE1 3.69Å; F342-L344 HydrophobicContact CE2-CB 3.98Å; F342-L344 HydrophobicContact CE2-CD1 4.49Å
343I93.3Very high82Confident37 Ų3755.3 Ų55.319%0.1933%0.332CS..EExtended strand (participates in β ladder)trans-106.2123.9-178.3-63.2175.1000108.9E207 L208 Y209 I306 M345E207-I343 PolarHBondContact O-N 2.78Å; L208-I343 CarbonylContact C-O 3.58Å; L208-I343 WeakPolarHBondContact CA-O 3.48Å; L208-I343 HydrophobicContact CB-CB 4.46Å; L208-I343 HydrophobicContact CD1-CG2 3.95Å; L208-I343 HydrophobicContact CG-CB 4.43Å; L208-I343 HydrophobicContact CG-CG2 4.17Å; Y209-I343 PolarHBondContact N-O 2.95Å; I306-I343 HydrophobicContact CD1-CD1 4.49Å; I306-I343 HydrophobicContact CD1-CG2 4.4Å; I343-M345 HydrophobicContact CG2-CG 3.59Å; I343-M345 HydrophobicContact CG2-SD 3.48Å; I343-M345 WeakPolarHBondContact CG2-SD 3Å
344L93.3Very high80.2Confident1 Ų158.3 Ų58.31%0.00535%0.353CS..EExtended strand (participates in β ladder)trans-112.1117.3174.6-175.168.6000109.3Y209 L301 S303 S304 Y322 F342Y209-L344 WeakPolarHBondContact O-CA 3.41Å; L301-L344 HydrophobicContact CD1-CD2 4.44Å; S303-L344 CarbonylContact C-O 3.56Å; S303-L344 VanDerWaalsContact CA-O 3.22Å; S303-L344 WeakPolarHBondContact CA-O 3.44Å; S303-L344 WeakPolarHBondContact CB-O 3.37Å; S304-L344 PolarHBondContact N-O 3.11Å; S304-L344 PolarHBondContact OG-N 3.28Å; Y322-L344 HydrophobicContact CD1-CD2 4.3Å; Y322-L344 HydrophobicContact CD2-CB 3.84Å; Y322-L344 HydrophobicContact CD2-CD2 4.48Å; Y322-L344 HydrophobicContact CE1-CD2 3.78Å; Y322-L344 HydrophobicContact CE2-CB 3.89Å; Y322-L344 HydrophobicContact CE2-CD2 3.99Å; Y322-L344 HydrophobicContact CG-CB 4.27Å; F342-L344 HydrophobicContact CE2-CB 3.98Å; F342-L344 HydrophobicContact CE2-CD1 4.49Å
345M91.8Very high78Confident0 Ų061.4 Ų61.40%037%0.371CS..EExtended strand (participates in β ladder)trans-144.3170-175.3-64.7-177.590.300112.6Q173 Y174 A175 L208 Y209 Y210 H211 I306 I343Q173-M345 HydrophobicContact CB-CE 3.65Å; Q173-M345 HydrophobicContact CG-CE 3.49Å; Q173-M345 VanDerWaalsContact CG-CE 3.49Å; Y174-M345 WeakPolarHBondContact O-CE 3.25Å; A175-M345 HydrophobicContact CB-CB 4.15Å; L208-M345 HydrophobicContact CD1-SD 4.45Å; Y209-M345 PolarHBondContact O-N 3.3Å; Y210-M345 VanDerWaalsContact CA-O 3.31Å; Y210-M345 WeakPolarHBondContact CA-O 3.43Å; H211-M345 PolarHBondContact CD2-O 2.84Å; H211-M345 PolarHBondContact N-O 3.23Å; I306-M345 HydrophobicContact CD1-CE 3.84Å; I306-M345 HydrophobicContact CD1-SD 3.47Å; I306-M345 WeakPolarHBondContact CD1-SD 3.44Å; I306-M345 HydrophobicContact CG1-CE 4.3Å; I306-M345 HydrophobicContact CG1-SD 4.2Å; I343-M345 HydrophobicContact CG2-CG 3.59Å; I343-M345 HydrophobicContact CG2-SD 3.48Å; I343-M345 WeakPolarHBondContact CG2-SD 3Å
346H87.6Confident75.1Confident37 Ų3769.6 Ų69.617%0.17140%0.397CS..BIsolated β-bridgetrans-78.6145.8169.3-76.7-67.2000111.4Y174 A175 H211 D291Y174-H346 HydrophobicContact CD1-CB 3.48Å; Y174-H346 VanDerWaalsContact CD1-CB 3.48Å; Y174-H346 HydrophobicContact CE1-CB 3.55Å; A175-H346 PolarHBondContact N-O 3.17Å; H211-H346 AromaticContact CD2-CD2 3.78Å; H211-H346 AromaticContact CD2-CE1 3.43Å; H211-H346 PolarHBondContact CD2-CE1 3Å; H211-H346 VanDerWaalsContact CD2-CE1 3.43Å; H211-H346 AromaticContact CD2-CG 3.72Å; H211-H346 AromaticContact CD2-ND1 3.51Å; H211-H346 AromaticContact CD2-NE2 3.6Å; H211-H346 AromaticContact NE2-NE2 3.91Å; D291-H346 IonicContact OD2-CD2 3.71Å; D291-H346 IonicContact OD2-CE1 2.67Å; D291-H346 IonicContact OD2-NE2 2.64Å; D291-H346 PolarHBondContact OD2-NE2 2.72Å
347P85.8Confident72.5Confident67 Ų6774.8 Ų74.844%0.43543%0.431SS..PPolyproline II helixtrans-67.5147.4171.429.6-33.8000110.6Y174 Y210Y174-P347 VanDerWaalsContact CD1-O 3.26Å; Y174-P347 WeakPolarHBondContact CD1-O 3.33Å; Y174-P347 WeakPolarHBondContact CE1-O 3.32Å; Y210-P347 HydrophobicContact CD1-CB 3.73Å; Y210-P347 HydrophobicContact CD1-CG 4.32Å; Y210-P347 VanDerWaalsContact CE1-CA 3.44Å; Y210-P347 HydrophobicContact CE1-CB 3.75Å; Y210-P347 HydrophobicContact CG-CB 4.22Å
348K79.9Confident69.7Low83 Ų8381.8 Ų81.836%0.36146%0.458SS..PPolyproline II helixtrans-62.5132170-70.6-171.6-179.6-165.40108.9Y174 A175 E177 V350Y174-K348 HydrophobicContact CD2-CG 4.42Å; Y174-K348 HydrophobicContact CG-CG 4.31Å; A175-K348 VanDerWaalsContact O-CE 3.26Å; A175-K348 WeakPolarHBondContact O-CE 2.98Å; E177-K348 HydrophobicContact CG-CD 4.25Å; E177-K348 IonicContact OE1-NZ 2.69Å; E177-K348 PolarHBondContact OE1-NZ 2.78Å; K348-V350 PolarHBondContact O-N 3.19Å
349P73Confident66.9Low79 Ų7986.7 Ų86.751%0.51349%0.493SS..PPolyproline II helixtrans-56.4138.7169.1-21.330.7000109.3Y174 E351Y174-P349 HydrophobicContact CE2-CG 3.63Å; Y174-P349 VanDerWaalsContact CZ-CD 3.47Å; P349-E351 PolarHBondContact O-N 3.29Å
350V65.4Low64Low141 Ų14188.9 Ų88.986%0.85552%0.519SS*.  trans-67.1108.7171.2-175.40000106.8K348K348-V350 PolarHBondContact O-N 3.19Å
351E52.8Low61.1Low166 Ų16695.5 Ų95.578%0.77656%0.559SS**PPolyproline II helixtrans-60.8128.9172.1-73-171.216500108.5P349P349-E351 PolarHBondContact O-N 3.29Å
352P43.9Very low58.4Low111 Ų11197.2 Ų97.272%0.72157%0.57SS**PPolyproline II helixtrans-58.8136.8168.924.4-30.1000107.5A354P352-A354 PolarHBondContact O-N 2.83Å
353P34.9Very low55.7Low127 Ų127105 Ų10583%0.82561%0.612SS**PPolyproline II helixtrans-53.1121.2-175.219.8-30.8000109S355P353-S355 PolarHBondContact O-N 2.84Å
354A38.4Very low52.8Low93 Ų93108.4 Ų108.477%0.76964%0.639SS**  trans-50.2115.7174.100000107.5P352 R356P352-A354 PolarHBondContact O-N 2.83Å; A354-R356 PolarHBondContact O-N 3.45Å
355S40.5Very low49.9Very low97 Ų97116 Ų11668%0.67868%0.68SS**  trans-50.3111.717150.90000107P353P353-S355 PolarHBondContact O-N 2.84Å
356R30.6Very low47.4Very low227 Ų227121.5 Ų121.586%0.85772%0.716SS**  trans-41.3133.2-179.8-90.7177.7170.2171.1-4.1109.7A354 Q358A354-R356 PolarHBondContact O-N 3.45Å; R356-Q358 PolarHBondContact O-N 2.79Å; R356-Q358 VanDerWaalsContact O-N 3.14Å
357P38.2Very low45.5Very low113 Ų113125.1 Ų125.173%0.73474%0.743SS**  trans-60121.6159.821.5-21.6000106.7S359P357-S359 PolarHBondContact O-N 3.13Å
358Q36.6Very low43Very low197 Ų197129.9 Ų129.992%0.92176%0.763SS**  trans-54.3108.5169.4-77.6177.6-19.500106.8R356R356-Q358 PolarHBondContact O-N 2.79Å; R356-Q358 VanDerWaalsContact O-N 3.14Å
359S37.1Very low41Very low110 Ų110133.1 Ų133.177%0.76978%0.784SS**  trans-71136.7179.4-27.30000108P357P357-S359 PolarHBondContact O-N 3.13Å
360A35.2Very low39.1Very low94 Ų94134.6 Ų134.678%0.77779%0.791SS**  trans-37.8134.1177.900000114.6
361V35.9Very low37.7Very low139 Ų139134.4 Ų134.484%0.84279%0.786SS**PPolyproline II helixtrans-70.4130.4161-171.40000107.4
362P36.7Very low37.3Very low115 Ų115134.3 Ų134.375%0.74779%0.79SS**PPolyproline II helixtrans-79.6134.5171.330.3-29000110.6
363D38Very low37Very low170 Ų170135.5 Ų135.591%0.90979%0.788SS**PPolyproline II helixtrans-63.7131.9172.1-86.5-40.6000112.4
364S33.4Very low37.2Very low109 Ų109138.2 Ų138.276%0.76279%0.79SS**  trans-165.7107.3145.860.90000112.8
365D31.6Very low36.8Very low162 Ų162141.6 Ų141.687%0.86679%0.788SS**  trans68.9150.2149.1-68.6-21.3000125.2
366P39.7Very low36.6Very low114 Ų114144.9 Ų144.974%0.7480%0.798SS**  trans-113.8-161.6-15841.7-26.6000113.8
367P48.7Very low36.6Very low114 Ų114139.4 Ų139.474%0.7479%0.79SS**  -116.1150.9-55.933.3-18.5000111.5
368I32.2Very low36.4Very low167 Ų167141 Ų14186%0.85679%0.792SS**  trans-135.7115159.5-59.4-177.9000108.8
369D38Very low36.1Very low151 Ų151137.2 Ų137.281%0.80779%0.787SS**  trans-72.8124.7174.9-166.16.1000109.8
370T33.3Very low36Very low109 Ų109137 Ų13767%0.66978%0.781SS**  trans-177.2123.1145.917.40000112.6
371N35.1Very low36.4Very low137 Ų137135.9 Ų135.973%0.73377%0.768SS**  trans84.295.2148.7-57.2-36.5000120.1I373N371-I373 PolarHBondContact O-N 2.77Å
372L45.6Very low36.8Very low164 Ų164138.2 Ų138.286%0.85977%0.769SS**  12.4101.5121.7-76.2152.7000116.8
373I37.3Very low37.4Very low136 Ų136138.7 Ų138.770%0.69777%0.766SS**  trans-142.7108.2133.8-54.1-178000107.4N371 F375N371-I373 PolarHBondContact O-N 2.77Å; I373-F375 HydrophobicContact CB-CD2 4.41Å; I373-F375 HydrophobicContact CG2-CD2 3.55Å; I373-F375 HydrophobicContact CG2-CE2 3.64Å; I373-F375 PolarHBondContact O-N 2.58Å
374E38.6Very low38.2Very low184 Ų184134 Ų13486%0.8674%0.74SS**  trans-62.4110.2160.3-78.9175.6149.400108.1
375F31.1Very low40.3Very low165 Ų165134.4 Ų134.472%0.72473%0.734SS**  trans-97.499.7160.7-99.9-88.2000108I373 T377I373-F375 HydrophobicContact CB-CD2 4.41Å; I373-F375 HydrophobicContact CG2-CD2 3.55Å; I373-F375 HydrophobicContact CG2-CE2 3.64Å; I373-F375 PolarHBondContact O-N 2.58Å; F375-T377 PolarHBondContact O-N 2.63Å
376D34.8Very low42.8Very low165 Ų165127.3 Ų127.388%0.88270%0.696SS**  trans-5583152.9-87-36.7000109.1N378D376-N378 PolarHBondContact O-N 3.22Å
377T32.4Very low45.1Very low112 Ų112125.2 Ų125.269%0.68768%0.68SS**  trans-94.488.3163.232.90000108.6F375 S379F375-T377 PolarHBondContact O-N 2.63Å; T377-S379 PolarHBondContact O-N 3.39Å
378N33.3Very low47Very low148 Ų148122.8 Ų122.879%0.79166%0.658SS**  trans-43.688.7145.5-105.9-19.3000109.2D376 V380D376-N378 PolarHBondContact O-N 3.22Å; N378-V380 HydrophobicContact CB-CG2 4.43Å; N378-V380 PolarHBondContact O-N 3.14Å
379S30Very low49.7Very low117 Ų117117.6 Ų117.682%0.81863%0.63SS**  trans-81.447.1165.3670000109.7T377 S381T377-S379 PolarHBondContact O-N 3.39Å; S379-S381 PolarHBondContact O-N 3.11Å
380V34.6Very low52.1Low105 Ų105115.2 Ų115.264%0.63662%0.618SS**  trans-78.1105.6174.2177.40000107.4N378N378-V380 HydrophobicContact CB-CG2 4.43Å; N378-V380 PolarHBondContact O-N 3.14Å
381S44.7Very low54.7Low71 Ų71110.6 Ų110.650%0.49759%0.589SS.*  trans57.586.7152.664.80000117.9S379S379-S381 PolarHBondContact O-N 3.11Å
382Q43Very low56.9Low187 Ų187107 Ų10787%0.87458%0.578SS**SBendtrans-105.64.1153.6-83.7-173.6-2.500113.6
383D50.5Low58.6Low126 Ų126100.4 Ų100.467%0.67454%0.542SS*.SBendtrans-121.216.5-173.6-81.2-28.3000114.3R104R104-D383 PolarHBondContact NE-O 2.67Å; R104-D383 PolarHBondContact NH2-O 2.86Å
384D54.6Low60.5Low70 Ų7099.9 Ų99.937%0.37454%0.539SS..  trans-11014.4-172.9-77.4-37.7000116K108 F386K108-D384 PolarHBondContact NZ-O 2.68Å; D384-F386 PolarHBondContact O-N 2.67Å
385D78Confident62.3Low118 Ų11898 Ų9863%0.63153%0.525SS*.  trans-76.873.4176.9-71.4-17.4000111.1G6 T7G6-D385 CarbonylContact C-O 3.51Å; G6-D385 WeakPolarHBondContact CA-O 3.41Å; T7-D385 PolarHBondContact N-O 3.3Å
386F83.8Confident63.9Low14 Ų1491.9 Ų91.96%0.06150%0.499CS..EExtended strand (participates in β ladder)trans-80.9127.2162.8-70.1-65.2000110.7T7 V9 L101 R104 L105 K108 D384 F388T7-F386 HydrophobicContact CG2-CD1 4.11Å; T7-F386 HydrophobicContact CG2-CE1 3.91Å; T7-F386 WeakPolarHBondContact O-CA 3.34Å; V9-F386 HydrophobicContact CG2-CD1 3.44Å; V9-F386 VanDerWaalsContact CG2-CD1 3.44Å; V9-F386 HydrophobicContact CG2-CE1 3.73Å; V9-F386 HydrophobicContact CG2-CG 4.34Å; L101-F386 HydrophobicContact CD1-CE1 3.6Å; L101-F386 HydrophobicContact CD1-CZ 4.03Å; R104-F386 HydrophobicContact CB-CE2 3.68Å; R104-F386 HydrophobicContact CB-CZ 3.43Å; R104-F386 VanDerWaalsContact CB-CZ 3.43Å; L105-F386 HydrophobicContact CD2-CD2 4.34Å; L105-F386 HydrophobicContact CD2-CE1 4.32Å; L105-F386 HydrophobicContact CD2-CE2 4.04Å; L105-F386 HydrophobicContact CD2-CZ 4Å; L105-F386 HydrophobicContact CG-CE1 4.48Å; L105-F386 HydrophobicContact CG-CE2 4.38Å; L105-F386 HydrophobicContact CG-CZ 4.01Å; K108-F386 HydrophobicContact CD-CB 4.34Å; K108-F386 HydrophobicContact CD-CD2 3.51Å; K108-F386 HydrophobicContact CD-CE2 4.29Å; K108-F386 HydrophobicContact CD-CG 4.38Å; D384-F386 PolarHBondContact O-N 2.67Å; F386-F388 HydrophobicContact CB-CE1 4.42Å; F386-F388 HydrophobicContact CB-CE2 4.41Å; F386-F388 HydrophobicContact CB-CZ 4.2Å
387V87Confident64.9Low69 Ų6994 Ų9442%0.41850%0.5SS..EExtended strand (participates in β ladder)trans-99.4108.5167.6-177.30000107.4T7 V9 E389T7-V387 PolarHBondContact O-N 3.46Å; T7-V387 VanDerWaalsContact O-N 3.1Å; V9-V387 PolarHBondContact N-O 2.83Å; V387-E389 HydrophobicContact CG1-CG 4.31Å
388F88.7Confident65.7Low63 Ų6392.5 Ų92.528%0.27651%0.508SS..EExtended strand (participates in β ladder)trans-83.2120.2177.3-66.4-63.7000110.6V9 K11 Y22 L105 K108 L109 F386V9-F388 HydrophobicContact CB-CD1 3.91Å; V9-F388 HydrophobicContact CB-CE1 4.08Å; V9-F388 HydrophobicContact CG1-CD1 4.02Å; V9-F388 HydrophobicContact CG1-CE1 4Å; V9-F388 CarbonylContact O-C 3.59Å; V9-F388 VanDerWaalsContact O-CA 3.32Å; V9-F388 WeakPolarHBondContact O-CA 2.99Å; K11-F388 HydrophobicContact CD-CB 4.16Å; Y22-F388 AromaticContact CD1-CD1 3.85Å; Y22-F388 HydrophobicContact CD1-CD1 3.85Å; Y22-F388 AromaticContact CD1-CE1 3.61Å; Y22-F388 HydrophobicContact CD1-CE1 3.61Å; Y22-F388 AromaticContact CE1-CD1 3.8Å; Y22-F388 HydrophobicContact CE1-CD1 3.8Å; Y22-F388 AromaticContact CE1-CE1 3.62Å; Y22-F388 HydrophobicContact CE1-CE1 3.62Å; Y22-F388 HydrophobicContact CE1-CZ 4.24Å; L105-F388 HydrophobicContact CD2-CE1 3.87Å; L105-F388 HydrophobicContact CD2-CZ 4.2Å; K108-F388 HydrophobicContact CD-CE2 4.25Å; K108-F388 HydrophobicContact CD-CZ 4.19Å; L109-F388 HydrophobicContact CD2-CZ 4.33Å; F386-F388 HydrophobicContact CB-CE1 4.42Å; F386-F388 HydrophobicContact CB-CE2 4.41Å; F386-F388 HydrophobicContact CB-CZ 4.2Å
389E89.7Confident66.5Low58 Ų5889.4 Ų89.427%0.27149%0.494SS..EExtended strand (participates in β ladder)trans-114.1154176.9-66.1179.5-171.400110R8 V9 F10 K11 V387R8-E389 WeakPolarHBondContact CD-OE1 3.49Å; R8-E389 IonicContact CZ-OE1 2.69Å; R8-E389 IonicContact NE-OE1 2.67Å; R8-E389 PolarHBondContact NE-OE1 3.45Å; V9-E389 PolarHBondContact O-N 3.48Å; F10-E389 CarbonylContact C-O 3.55Å; F10-E389 VanDerWaalsContact CA-O 3.3Å; F10-E389 WeakPolarHBondContact CA-O 3.4Å; F10-E389 HydrophobicContact CD1-CB 3.99Å; F10-E389 HydrophobicContact CE1-CB 4.18Å; F10-E389 WeakPolarHBondContact CE1-OE2 2.81Å; K11-E389 PolarHBondContact N-O 3.21Å; V387-E389 HydrophobicContact CG1-CG 4.31Å
390D88.8Confident67.1Low101 Ų10190.2 Ų90.254%0.5449%0.493SS..EExtended strand (participates in β ladder)trans-61.5145.8169.6-166.4-28.7000109.1R26 A392R26-D390 PolarHBondContact NH2-O 3.42Å; D390-A392 PolarHBondContact O-N 3.49Å; D390-A392 PolarHBondContact OD1-N 2.8Å
391F87.1Confident67.3Low13 Ų1390.9 Ų90.96%0.05749%0.494CS..SBendtrans-68.7-21.4171.2-169.8-91.9000113.2F10 K11 K12 L23 R26 L167 V168 I169 R393F10-F391 HydrophobicContact CB-CB 4.28Å; F10-F391 HydrophobicContact CB-CD2 3.74Å; F10-F391 HydrophobicContact CB-CG 4.47Å; F10-F391 HydrophobicContact CG-CD2 4.46Å; K11-F391 PolarHBondContact O-N 2.8Å; K12-F391 HydrophobicContact CB-CB 4.14Å; L23-F391 HydrophobicContact CD1-CD2 4.35Å; L23-F391 HydrophobicContact CD1-CE2 3.78Å; R26-F391 HydrophobicContact CB-CE2 4.15Å; R26-F391 HydrophobicContact CB-CZ 4.25Å; R26-F391 HydrophobicContact CG-CD2 4.03Å; R26-F391 HydrophobicContact CG-CE2 3.67Å; R26-F391 HydrophobicContact CG-CZ 4.11Å; R26-F391 VanDerWaalsContact CZ-O 3.27Å; R26-F391 PolarHBondContact NE-O 3.46Å; R26-F391 PolarHBondContact NH2-O 3.39Å; L167-F391 HydrophobicContact CB-CD1 4.28Å; L167-F391 HydrophobicContact CB-CE1 3.93Å; L167-F391 HydrophobicContact CB-CZ 4.06Å; L167-F391 HydrophobicContact CD2-CB 3.55Å; L167-F391 HydrophobicContact CD2-CD1 3.32Å; L167-F391 HydrophobicContact CD2-CD2 3.52Å; L167-F391 HydrophobicContact CD2-CE1 3.81Å; L167-F391 HydrophobicContact CD2-CE2 3.98Å; L167-F391 HydrophobicContact CD2-CG 3.15Å; L167-F391 HydrophobicContact CD2-CZ 4.12Å; L167-F391 HydrophobicContact CG-CD1 4.41Å; L167-F391 HydrophobicContact CG-CG 4.5Å; V168-F391 VanDerWaalsContact O-CE1 3.29Å; V168-F391 WeakPolarHBondContact O-CE1 3.44Å; V168-F391 WeakPolarHBondContact O-CZ 3.29Å; I169-F391 HydrophobicContact CG2-CE2 4.23Å; I169-F391 HydrophobicContact CG2-CZ 3.8Å; F391-R393 PolarHBondContact O-N 3.02Å
392A81.4Confident67.1Low61 Ų6194.7 Ų94.750%0.50451%0.508SS..SBendtrans-53.8129.8176.600000111.7R26 D390R26-A392 PolarHBondContact NH2-O 2.71Å; D390-A392 PolarHBondContact O-N 3.49Å; D390-A392 PolarHBondContact OD1-N 2.8Å
393R80.9Confident67Low26 Ų2695.6 Ų95.610%0.09851%0.509CS..PPolyproline II helixtrans-75.7145.2175.1-65.9-175.7-168.7-101.51.1109.8R26 D27 R170 H296 D298 F391 R395R26-R393 PolarHBondContact O-NH2 2.94Å; D27-R393 IonicContact OD1-CZ 3.37Å; D27-R393 IonicContact OD1-NH1 3.75Å; D27-R393 PolarHBondContact OD1-NH1 3.26Å; D27-R393 IonicContact OD1-NH2 2.87Å; D27-R393 PolarHBondContact OD1-NH2 3.49Å; D27-R393 IonicContact OD2-NH1 3.99Å; R170-R393 VanDerWaalsContact CZ-NH1 3.28Å; H296-R393 HydrophobicContact CB-CB 4.23Å; H296-R393 WeakPolarHBondContact ND1-CD 3.46Å; D298-R393 IonicContact OD2-CZ 2.99Å; D298-R393 IonicContact OD2-NH1 3.79Å; D298-R393 PolarHBondContact OD2-NH1 2.94Å; F391-R393 PolarHBondContact O-N 3.02Å; R393-R395 PolarHBondContact O-N 2.84Å
394L78Confident66.5Low124 Ų12493 Ų9365%0.64950%0.495SS*.PPolyproline II helixtrans-60.4131.4175.7-68.8171.9000109.4H296 E297H296-L394 WeakPolarHBondContact CA-O 3.46Å; E297-L394 HydrophobicContact CB-CB 4.48Å; E297-L394 PolarHBondContact N-O 3.16Å
395R75.8Confident65.8Low146 Ų14696.7 Ų96.755%0.55151%0.51SS*.BIsolated β-bridgetrans-86.7141.9179.2-66.1-175.4-178.9-178.9-1.5109.7K295 R393 K397K295-R395 CarbonylContact O-C 3.5Å; K295-R395 VanDerWaalsContact O-CA 3.31Å; K295-R395 WeakPolarHBondContact O-CA 2.96Å; R393-R395 PolarHBondContact O-N 2.84Å; R395-K397 PolarHBondContact O-N 3.45Å
396L65.8Low63.7Low36 Ų3696 Ų9619%0.18851%0.506CS..PPolyproline II helixtrans-61.9134.1169.8-85.6148.8000110.4L294 K295 H296 E297 G398 V399L294-L396 WeakPolarHBondContact O-CD1 3.05Å; K295-L396 PolarHBondContact O-N 3.1Å; H296-L396 WeakPolarHBondContact O-CD1 3.39Å; E297-L396 HydrophobicContact CB-CG 4.35Å; L396-G398 PolarHBondContact O-N 3.22Å; L396-V399 HydrophobicContact CB-CG2 4.07Å
397K55.3Low61.2Low208 Ų208102.1 Ų102.190%0.90455%0.55SS*.THydrogen-bonded Turntrans-64.5124.7173.6-67.4-179.9179.7176.40109.3R395R395-K397 PolarHBondContact O-N 3.45Å
398G49Very low59.9Low82 Ų82103.8 Ų103.885%0.84556%0.556SS**THydrogen-bonded Turntrans98.15.8171.200000117.2L396L396-G398 PolarHBondContact O-N 3.22Å
399V49.9Very low58.4Low83 Ų83105.9 Ų105.950%0.50357%0.571SS.*PPolyproline II helixtrans-88.7118.2170.9-175.20000109L396L396-V399 HydrophobicContact CB-CG2 4.07Å
400V42.6Very low56.7Low133 Ų133108.6 Ų108.681%0.80659%0.588SS**PPolyproline II helixtrans-77143.5178.8-178.90000110D402V400-D402 PolarHBondContact O-N 3.25Å
401D37.9Very low54.8Low120 Ų120109.1 Ų109.164%0.64259%0.591SS**PPolyproline II helixtrans-50.1117.7-177.5-93.4-28000113.2
402D41.8Very low52.8Low150 Ų150115.1 Ų115.180%0.80262%0.624SS**  trans-80.6113.3138.6-80.1-34.2000106.4V400 D404V400-D402 PolarHBondContact O-N 3.25Å; D402-D404 PolarHBondContact O-N 3.32Å
403K39.7Very low50.9Low207 Ų207118.7 Ų118.790%0.963%0.632SS**  trans-57100.2174.8-73.9-179.5176.9176.90109.1
404D41.5Very low48.7Very low71 Ų71125.3 Ų125.338%0.3867%0.67SS.*  trans-130.2124169.1-126.7-13.7000107.5K139 D402 D406K139-D404 WeakPolarHBondContact CE-OD1 3.44Å; K139-D404 IonicContact NZ-OD1 3.43Å; K139-D404 PolarHBondContact NZ-OD1 3.34Å; K139-D404 IonicContact NZ-OD2 3.47Å; D402-D404 PolarHBondContact O-N 3.32Å; D404-D406 PolarHBondContact O-N 3.07Å
405E39.2Very low46.5Very low148 Ų148125.4 Ų125.469%0.69267%0.672SS**  trans-55.186.4-172-61.8-171.1145.300113.5K161 C407K161-E405 IonicContact NZ-OE2 2.72Å; K161-E405 PolarHBondContact NZ-OE2 3.2Å; E405-C407 PolarHBondContact O-N 2.85Å
406D34.4Very low44Very low102 Ų102123.7 Ų123.755%0.54568%0.682SS.*  trans-9049.9158-82-37.8000110.1D404D404-D406 PolarHBondContact O-N 3.07Å
407C31.4Very low42.1Very low144 Ų144131.6 Ų131.697%0.97373%0.727SS**  trans-127.40168.8-77.30000111.5E405E405-C407 PolarHBondContact O-N 2.85Å

Retrieved 407 of 407 residues in 262.9 ms (Link to these results)

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