A0A3Q0KTP2_SCHMA Loading...

Putative beta-arrestin 1

AlphaFold DB , UniProt , Accession A0A3Q0KTP2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 392 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
1M44.1Very low77.2Confident212 Ų21275.1 Ų75.1100%1.04438%0.38SS*.  0134.10-67175.6-173.700107.7T3M1-T3 PolarHBondContact O-N 3.08Å; M1-T3 VanDerWaalsContact O-N 3.17Å
2S49.9Very low78.1Confident77 Ų7769 Ų6954%0.53835%0.35SS..  trans-67.6113.2179171.90000108.6K4 V359S2-K4 PolarHBondContact O-N 2.83Å; S2-K4 VanDerWaalsContact O-N 3.16Å; S2-K4 PolarHBondContact OG-N 2.76Å; S2-K4 PolarHBondContact OG-O 3.46Å; S2-V359 WeakPolarHBondContact O-CG1 3.26Å; S2-V359 VanDerWaalsContact O-CG2 3.23Å; S2-V359 WeakPolarHBondContact O-CG2 3.14Å
3T58Low78.7Confident83 Ų8370.8 Ų70.851%0.50937%0.369SS..  trans-73.62176.652.60000113.3M1 V359 N366M1-T3 PolarHBondContact O-N 3.08Å; M1-T3 VanDerWaalsContact O-N 3.17Å; T3-V359 WeakPolarHBondContact O-CG1 3.39Å; T3-N366 WeakPolarHBondContact O-CB 3.13Å
4K67.1Low79Confident109 Ų10969.1 Ų69.147%0.47436%0.361SS..  trans-105.4128.9-175.4-62.1-172.6-178.4-177.90112.1S2 N366 I368S2-K4 PolarHBondContact O-N 2.83Å; S2-K4 VanDerWaalsContact O-N 3.16Å; S2-K4 PolarHBondContact OG-N 2.76Å; S2-K4 PolarHBondContact OG-O 3.46Å; K4-N366 VanDerWaalsContact CA-O 3.24Å; K4-N366 WeakPolarHBondContact CA-O 3.49Å; K4-I368 HydrophobicContact CB-CD1 3.55Å; K4-I368 HydrophobicContact CB-CG1 3.94Å; K4-I368 HydrophobicContact CD-CD1 3.71Å; K4-I368 HydrophobicContact CD-CG1 4.01Å; K4-I368 HydrophobicContact CG-CD1 4.23Å; K4-I368 HydrophobicContact CG-CG1 4.46Å
5R79.7Confident79.3Confident43 Ų4371.7 Ų71.716%0.16238%0.375CS..EExtended strand (participates in β ladder)trans-105.2132.2176.1-170168.8-174.3150.44.3110.2N366 L367 I368R5-N366 PolarHBondContact N-O 2.91Å; R5-L367 HydrophobicContact CB-CD2 4.14Å; R5-L367 WeakPolarHBondContact O-CA 3.42Å; R5-I368 PolarHBondContact O-N 2.9Å
6S85.9Confident79.6Confident38 Ų3873 Ų7327%0.26638%0.377SS..EExtended strand (participates in β ladder)trans-87.5137178-64.50000111.5I368 Q370S6-I368 CarbonylContact C-O 3.54Å; S6-I368 VanDerWaalsContact CA-O 3.3Å; S6-I368 WeakPolarHBondContact CA-O 3.38Å; S6-Q370 PolarHBondContact OG-NE2 2.86Å
7I90.8Very high80.1Confident0 Ų069 Ų690%036%0.356CS..EExtended strand (participates in β ladder)trans-126.3142.7177.2-61.3177.5000108.7Y20 L21 V102 L106 L367 I368 Q370I7-Y20 HydrophobicContact CG2-CD1 4.48Å; I7-L21 WeakPolarHBondContact CG2-O 3.49Å; I7-V102 HydrophobicContact CD1-CG1 3.64Å; I7-V102 HydrophobicContact CG1-CG1 4.32Å; I7-L106 HydrophobicContact CD1-CD1 3.97Å; I7-L106 HydrophobicContact CD1-CD2 3.78Å; I7-L106 HydrophobicContact CD1-CG 4.05Å; I7-L367 HydrophobicContact CD1-CB 4Å; I7-L367 HydrophobicContact CD1-CD1 3.68Å; I7-L367 HydrophobicContact CD1-CD2 3.71Å; I7-L367 HydrophobicContact CD1-CG 3.99Å; I7-L367 HydrophobicContact CG1-CD2 4.41Å; I7-I368 PolarHBondContact N-O 2.77Å; I7-Q370 PolarHBondContact O-N 2.94Å
8Y93.9Very high80.7Confident45 Ų4565.9 Ų65.918%0.17634%0.341CS..EExtended strand (participates in β ladder)trans-100.1122.6-174.9-58.4-82000112.2Y20 L21 R24 Q370Y8-Y20 CarbonylContact O-C 3.48Å; Y8-Y20 WeakPolarHBondContact O-CA 3.2Å; Y8-L21 PolarHBondContact N-O 2.98Å; Y8-L21 PolarHBondContact O-N 3.31Å; Y8-R24 HydrophobicContact CD1-CG 3.93Å; Y8-R24 HydrophobicContact CD2-CG 3.47Å; Y8-R24 VanDerWaalsContact CD2-CG 3.47Å; Y8-R24 HydrophobicContact CE1-CG 4.19Å; Y8-R24 VanDerWaalsContact CE1-NH2 3.31Å; Y8-R24 HydrophobicContact CE2-CG 3.76Å; Y8-R24 HydrophobicContact CG-CG 3.53Å; Y8-Q370 CarbonylContact C-O 3.44Å; Y8-Q370 WeakPolarHBondContact CA-O 3.42Å; Y8-Q370 HydrophobicContact CD1-CB 4.46Å
9K94Very high81.5Confident71 Ų7162.5 Ų62.531%0.30932%0.323SS..EExtended strand (participates in β ladder)trans-104.9139.9-179.9174.5-178.6176.3161.50112.2N11 V18 V19 Y20 I369 Q370 F372K9-N11 WeakPolarHBondContact CE-OD1 3.35Å; K9-V18 HydrophobicContact CD-CG1 4.19Å; K9-V18 HydrophobicContact CG-CG1 3.77Å; K9-V19 WeakPolarHBondContact CA-O 3.22Å; K9-Y20 HydrophobicContact CB-CD1 4Å; K9-Y20 HydrophobicContact CB-CE1 3.96Å; K9-Y20 HydrophobicContact CD-CE1 3.68Å; K9-Y20 HydrophobicContact CG-CD1 4.25Å; K9-Y20 HydrophobicContact CG-CE1 3.82Å; K9-Y20 PolarHBondContact NZ-OH 3.25Å; K9-I369 HydrophobicContact CB-CG2 3.52Å; K9-I369 HydrophobicContact CD-CG2 3.77Å; K9-I369 HydrophobicContact CG-CG2 4.27Å; K9-Q370 PolarHBondContact N-O 3.48Å; K9-F372 WeakPolarHBondContact O-CB 3.36Å; K9-F372 PolarHBondContact O-N 3.26Å
10K94.2Very high82.2Confident88 Ų8859.8 Ų59.838%0.38331%0.309SS..EExtended strand (participates in β ladder)trans-142.3139162.1-166175.2179.2174.20111V19 V165 N166 L167 F372K10-V19 PolarHBondContact N-O 2.72Å; K10-V19 PolarHBondContact O-N 2.74Å; K10-V165 HydrophobicContact CB-CG1 3.92Å; K10-V165 HydrophobicContact CD-CG1 3.97Å; K10-V165 HydrophobicContact CG-CG1 3.99Å; K10-N166 WeakPolarHBondContact CD-O 3.46Å; K10-N166 PolarHBondContact NZ-O 2.86Å; K10-L167 HydrophobicContact CB-CD2 3.5Å; K10-L167 VanDerWaalsContact CB-CD2 3.5Å; K10-L167 HydrophobicContact CD-CD2 3.36Å; K10-L167 HydrophobicContact CG-CD2 4.05Å; K10-F372 HydrophobicContact CB-CB 4.15Å
11N91.4Very high82.8Confident60 Ų6057 Ų5732%0.32129%0.294SS..EExtended strand (participates in β ladder)trans-96.5153.5175.3-57.4-1.5000110.5K9 N15 V18K9-N11 WeakPolarHBondContact CE-OD1 3.35Å; N11-N15 WeakPolarHBondContact CB-OD1 3.44Å; N11-N15 PolarHBondContact ND2-OD1 3.38Å; N11-V18 HydrophobicContact CB-CG2 4.27Å; N11-V18 WeakPolarHBondContact OD1-CG1 3.42Å; N11-V18 WeakPolarHBondContact OD1-CG2 3.34Å
12S88.4Confident85Confident2 Ų247.2 Ų47.21%0.01425%0.246CC..  trans-66.7156.1162.659.30000110N14 N15 K16 L17 V165S12-N14 WeakPolarHBondContact CB-OD1 2.89Å; S12-N14 PolarHBondContact O-N 3.21Å; S12-N14 VanDerWaalsContact O-N 3.09Å; S12-N14 PolarHBondContact OG-OD1 3.13Å; S12-N15 PolarHBondContact O-N 3.38Å; S12-N15 PolarHBondContact OG-N 3.03Å; S12-K16 PolarHBondContact OG-N 3.43Å; S12-L17 WeakPolarHBondContact CB-O 3.32Å; S12-L17 PolarHBondContact N-O 3.2Å; S12-L17 PolarHBondContact OG-N 3.43Å; S12-L17 VanDerWaalsContact OG-N 3.1Å; S12-L17 PolarHBondContact OG-O 3.11Å; S12-L17 VanDerWaalsContact OG-O 3.08Å; S12-V165 VanDerWaalsContact N-CG2 3.3Å
13P86Confident87Confident92 Ų9244.4 Ų44.460%0.59722%0.224SC*.THydrogen-bonded Turntrans-53.1-30.9176.5-30.236.1000114.7R162P13-R162 HydrophobicContact CB-CG 4.48Å; P13-R162 WeakPolarHBondContact CD-O 3.19Å
14N82.8Confident88.6Confident48 Ų4841.3 Ų41.326%0.25720%0.203SC..THydrogen-bonded Turntrans-92.83.4177.871.2-0.8000114.3S12 K16 N163S12-N14 WeakPolarHBondContact CB-OD1 2.89Å; S12-N14 PolarHBondContact O-N 3.21Å; S12-N14 VanDerWaalsContact O-N 3.09Å; S12-N14 PolarHBondContact OG-OD1 3.13Å; N14-K16 HydrophobicContact CB-CG 4.38Å; N14-K16 PolarHBondContact O-N 3.32Å; N14-K16 WeakPolarHBondContact OD1-CB 3.45Å; N14-K16 PolarHBondContact OD1-N 3.31Å; N14-N163 PolarHBondContact ND2-OD1 3.29Å
15N83.9Confident89.8Confident107 Ų10737.6 Ų37.657%0.57219%0.189SC*.SBendtrans55.614.8-175.4-64.7-52000116.3N11 S12N11-N15 WeakPolarHBondContact CB-OD1 3.44Å; N11-N15 PolarHBondContact ND2-OD1 3.38Å; S12-N15 PolarHBondContact O-N 3.38Å; S12-N15 PolarHBondContact OG-N 3.03Å
16K83.4Confident90.5Very high93 Ų9335.6 Ų35.640%0.40418%0.181SC..SBendtrans-83.6-18.7178.2-62.3-171.3-176.21800113.8S12 N14S12-K16 PolarHBondContact OG-N 3.43Å; N14-K16 HydrophobicContact CB-CG 4.38Å; N14-K16 PolarHBondContact O-N 3.32Å; N14-K16 WeakPolarHBondContact OD1-CB 3.45Å; N14-K16 PolarHBondContact OD1-N 3.31Å
17L87.7Confident90.8Very high5 Ų535 Ų353%0.02617%0.174CC..EExtended strand (participates in β ladder)trans-131126.8-179.7174.566000107.8S12 A40 I42 V52 S152 V165S12-L17 WeakPolarHBondContact CB-O 3.32Å; S12-L17 PolarHBondContact N-O 3.2Å; S12-L17 PolarHBondContact OG-N 3.43Å; S12-L17 VanDerWaalsContact OG-N 3.1Å; S12-L17 PolarHBondContact OG-O 3.11Å; S12-L17 VanDerWaalsContact OG-O 3.08Å; L17-A40 HydrophobicContact CD1-CB 3.95Å; L17-I42 HydrophobicContact CD1-CG2 3.57Å; L17-V52 HydrophobicContact CD1-CG1 4.36Å; L17-S152 WeakPolarHBondContact CD2-O 3.13Å; L17-V165 HydrophobicContact CB-CG2 4.49Å; L17-V165 HydrophobicContact CD2-CG2 4.06Å; L17-V165 HydrophobicContact CG-CG2 4.04Å
18V92.2Very high91Very high14 Ų1435 Ų359%0.08517%0.174CC..EExtended strand (participates in β ladder)trans-126.6134.8176.3-179.10000108.2K9 N11 Y20 A40 T41K9-V18 HydrophobicContact CD-CG1 4.19Å; K9-V18 HydrophobicContact CG-CG1 3.77Å; N11-V18 HydrophobicContact CB-CG2 4.27Å; N11-V18 WeakPolarHBondContact OD1-CG1 3.42Å; N11-V18 WeakPolarHBondContact OD1-CG2 3.34Å; V18-Y20 HydrophobicContact CB-CE2 4.1Å; V18-Y20 HydrophobicContact CG1-CD2 4.16Å; V18-Y20 HydrophobicContact CG1-CE1 4.38Å; V18-Y20 HydrophobicContact CG1-CE2 3.48Å; V18-Y20 VanDerWaalsContact CG1-CE2 3.48Å; V18-A40 CarbonylContact O-C 3.48Å; V18-A40 VanDerWaalsContact O-CA 3.23Å; V18-A40 WeakPolarHBondContact O-CA 3.39Å; V18-T41 WeakPolarHBondContact CB-OG1 3.38Å; V18-T41 PolarHBondContact N-O 3.06Å; V18-T41 PolarHBondContact O-N 3.47Å
19V95.1Very high90.8Very high0 Ų033.6 Ų33.60%017%0.17CC..EExtended strand (participates in β ladder)trans-113.1132.4178.8-179.60000108.8K9 K10 A40 F117 Y150 V165 L167K9-V19 WeakPolarHBondContact CA-O 3.22Å; K10-V19 PolarHBondContact N-O 2.72Å; K10-V19 PolarHBondContact O-N 2.74Å; V19-A40 HydrophobicContact CG2-CB 4.39Å; V19-F117 HydrophobicContact CG1-CE1 3.99Å; V19-F117 HydrophobicContact CG1-CZ 3.95Å; V19-Y150 HydrophobicContact CB-CE1 4.35Å; V19-Y150 HydrophobicContact CG1-CD1 4.27Å; V19-Y150 HydrophobicContact CG1-CE1 3.6Å; V19-Y150 HydrophobicContact CG2-CE1 3.92Å; V19-V165 HydrophobicContact CB-CG1 4.14Å; V19-V165 HydrophobicContact CG2-CB 3.84Å; V19-V165 HydrophobicContact CG2-CG1 3.86Å; V19-V165 HydrophobicContact CG2-CG2 4.17Å; V19-L167 HydrophobicContact CB-CD1 4.15Å; V19-L167 HydrophobicContact CG1-CD1 3.59Å
20Y95Very high90.6Very high9 Ų932.1 Ų32.14%0.03517%0.165CC..EExtended strand (participates in β ladder)trans-114.6110.3173.6-61.3-90.7000107.8I7 Y8 K9 V18 G38 I39 T41 F110 I369I7-Y20 HydrophobicContact CG2-CD1 4.48Å; Y8-Y20 CarbonylContact O-C 3.48Å; Y8-Y20 WeakPolarHBondContact O-CA 3.2Å; K9-Y20 HydrophobicContact CB-CD1 4Å; K9-Y20 HydrophobicContact CB-CE1 3.96Å; K9-Y20 HydrophobicContact CD-CE1 3.68Å; K9-Y20 HydrophobicContact CG-CD1 4.25Å; K9-Y20 HydrophobicContact CG-CE1 3.82Å; K9-Y20 PolarHBondContact NZ-OH 3.25Å; V18-Y20 HydrophobicContact CB-CE2 4.1Å; V18-Y20 HydrophobicContact CG1-CD2 4.16Å; V18-Y20 HydrophobicContact CG1-CE1 4.38Å; V18-Y20 HydrophobicContact CG1-CE2 3.48Å; V18-Y20 VanDerWaalsContact CG1-CE2 3.48Å; Y20-G38 CarbonylContact O-C 3.53Å; Y20-G38 WeakPolarHBondContact O-CA 3.46Å; Y20-I39 HydrophobicContact CD2-CD1 4.2Å; Y20-I39 HydrophobicContact CD2-CG1 3.96Å; Y20-I39 HydrophobicContact CG-CG1 4.33Å; Y20-I39 PolarHBondContact N-O 3.19Å; Y20-I39 PolarHBondContact O-N 3.17Å; Y20-T41 HydrophobicContact CD2-CG2 4.12Å; Y20-T41 HydrophobicContact CE2-CG2 3.7Å; Y20-F110 HydrophobicContact CD2-CE2 4.24Å; Y20-F110 HydrophobicContact CD2-CZ 4.46Å; Y20-F110 HydrophobicContact CE1-CE2 4.24Å; Y20-F110 AromaticContact CE1-CZ 3.82Å; Y20-F110 HydrophobicContact CE1-CZ 3.82Å; Y20-F110 HydrophobicContact CE2-CE1 4.28Å; Y20-F110 AromaticContact CE2-CE2 3.93Å; Y20-F110 HydrophobicContact CE2-CE2 3.93Å; Y20-F110 AromaticContact CE2-CZ 3.74Å; Y20-F110 HydrophobicContact CE2-CZ 3.74Å; Y20-F110 AromaticContact CZ-CE2 3.94Å; Y20-F110 AromaticContact CZ-CZ 3.37Å; Y20-F110 WeakPolarHBondContact OH-CZ 3.37Å; Y20-I369 HydrophobicContact CD1-CD1 4.43Å; Y20-I369 HydrophobicContact CD1-CG2 4.29Å; Y20-I369 HydrophobicContact CE1-CD1 3.91Å; Y20-I369 HydrophobicContact CE1-CG1 4.41Å; Y20-I369 HydrophobicContact CE1-CG2 3.99Å
21L94.4Very high90.3Very high0 Ų034.8 Ų34.80%018%0.179CC..EExtended strand (participates in β ladder)trans-106.1130.6-179-167.274.2000109.5I7 Y8 Q23 I36 E37 F117 L167 I169 F372I7-L21 WeakPolarHBondContact CG2-O 3.49Å; Y8-L21 PolarHBondContact N-O 2.98Å; Y8-L21 PolarHBondContact O-N 3.31Å; L21-Q23 VanDerWaalsContact C-N 3.31Å; L21-Q23 WeakPolarHBondContact CD2-O 3.32Å; L21-Q23 VanDerWaalsContact CG-O 3.25Å; L21-Q23 WeakPolarHBondContact CG-O 3.25Å; L21-Q23 PolarHBondContact O-N 2.97Å; L21-I36 HydrophobicContact CD1-CG2 3.93Å; L21-E37 WeakPolarHBondContact CD1-O 3.48Å; L21-F117 HydrophobicContact CD1-CE2 3.84Å; L21-F117 HydrophobicContact CD1-CZ 3.89Å; L21-L167 HydrophobicContact CB-CD1 4.17Å; L21-L167 HydrophobicContact CD2-CD1 4.26Å; L21-I169 HydrophobicContact CD2-CG2 3.56Å; L21-F372 HydrophobicContact CD2-CE2 3.84Å
22I91.9Very high90.3Very high8 Ų838 Ų384%0.04119%0.193CC..SBendtrans-67.3-37.1-176.3-65.3177.2000110.8E37 V102 Q103I22-E37 HydrophobicContact CD1-CB 3.73Å; I22-E37 HydrophobicContact CG1-CB 4.44Å; I22-E37 PolarHBondContact N-O 3.43Å; I22-V102 HydrophobicContact CD1-CB 3.67Å; I22-V102 HydrophobicContact CD1-CG1 3.66Å; I22-V102 HydrophobicContact CG1-CB 4.31Å; I22-V102 HydrophobicContact CG1-CG1 3.77Å; I22-Q103 HydrophobicContact CD1-CG 4.08Å
23Q90.5Very high90.4Very high17 Ų1738.6 Ų38.68%0.07920%0.196CC..  trans-147.6144.4-176.953.6-179.833.500111.9L21 I26 P35L21-Q23 VanDerWaalsContact C-N 3.31Å; L21-Q23 WeakPolarHBondContact CD2-O 3.32Å; L21-Q23 VanDerWaalsContact CG-O 3.25Å; L21-Q23 WeakPolarHBondContact CG-O 3.25Å; L21-Q23 PolarHBondContact O-N 2.97Å; Q23-I26 HydrophobicContact CG-CD1 3.74Å; Q23-P35 PolarHBondContact NE2-O 3.37Å
24R91.6Very high90.7Very high18 Ų1835.3 Ų35.37%0.06817%0.173CC..SBendtrans-100.5-14.7177.4-50.4-174-69.6-167.2-9.8113.2Y8 I169 R170 F372 K373 R374Y8-R24 HydrophobicContact CD1-CG 3.93Å; Y8-R24 HydrophobicContact CD2-CG 3.47Å; Y8-R24 VanDerWaalsContact CD2-CG 3.47Å; Y8-R24 HydrophobicContact CE1-CG 4.19Å; Y8-R24 VanDerWaalsContact CE1-NH2 3.31Å; Y8-R24 HydrophobicContact CE2-CG 3.76Å; Y8-R24 HydrophobicContact CG-CG 3.53Å; R24-I169 CarbonylContact O-C 3.49Å; R24-I169 VanDerWaalsContact O-CA 3.26Å; R24-I169 WeakPolarHBondContact O-CA 3.49Å; R24-I169 VanDerWaalsContact O-CB 3.3Å; R24-I169 WeakPolarHBondContact O-CB 3.28Å; R24-R170 PolarHBondContact O-N 3.42Å; R24-F372 HydrophobicContact CB-CE2 4.08Å; R24-F372 HydrophobicContact CB-CZ 4.43Å; R24-F372 VanDerWaalsContact CD-CD2 3.45Å; R24-F372 VanDerWaalsContact CD-CE2 3.43Å; R24-F372 HydrophobicContact CG-CD2 3.71Å; R24-F372 HydrophobicContact CG-CE2 3.38Å; R24-F372 HydrophobicContact CG-CZ 4.09Å; R24-F372 VanDerWaalsContact NH1-C 3.3Å; R24-F372 PolarHBondContact NH1-O 2.96Å; R24-K373 VanDerWaalsContact NH1-C 3.29Å; R24-K373 PolarHBondContact NH1-O 2.75Å; R24-K373 VanDerWaalsContact NH1-O 3.1Å; R24-R374 PolarHBondContact O-NH2 3.01Å
25D93Very high91.2Very high32 Ų3235 Ų3517%0.17117%0.174CC..EExtended strand (participates in β ladder)trans-118.1122.1179.1-64.7-26.5000106.8F27 R170 L172 R374D25-F27 HydrophobicContact CB-CE2 4.14Å; D25-F27 HydrophobicContact CB-CZ 4.24Å; D25-R170 CarbonylContact C-O 3.5Å; D25-R170 WeakPolarHBondContact CA-O 3.36Å; D25-R170 WeakPolarHBondContact OD1-CB 3.38Å; D25-R170 IonicContact OD1-CZ 3.39Å; D25-R170 IonicContact OD1-NE 3.79Å; D25-R170 PolarHBondContact OD1-NE 3.36Å; D25-R170 IonicContact OD1-NH2 3.64Å; D25-R170 PolarHBondContact OD1-NH2 2.96Å; D25-R170 IonicContact OD2-CZ 3.94Å; D25-R170 IonicContact OD2-NE 2.77Å; D25-R170 IonicContact OD2-NH2 3.36Å; D25-R170 PolarHBondContact OD2-NH2 2.92Å; D25-L172 HydrophobicContact CB-CD1 4.03Å; D25-R374 IonicContact OD1-CZ 2.81Å; D25-R374 IonicContact OD1-NH1 3.02Å; D25-R374 PolarHBondContact OD1-NH1 3.25Å; D25-R374 IonicContact OD1-NH2 2.84Å; D25-R374 PolarHBondContact OD1-NH2 3.17Å; D25-R374 IonicContact OD2-NH1 3.14Å; D25-R374 PolarHBondContact OD2-NH1 3.04Å; D25-R374 IonicContact OD2-NH2 3.41Å
26I93.9Very high91.7Very high0 Ų029.9 Ų29.90%015%0.147CC..EExtended strand (participates in β ladder)trans-110.7113.3-174.9-50.4-57.2000106.8Q23 I33 D34 I36 L121 I169 R170 R171 L172Q23-I26 HydrophobicContact CG-CD1 3.74Å; I26-I33 HydrophobicContact CG2-CG2 3.86Å; I26-D34 HydrophobicContact CG2-CB 4.22Å; I26-D34 WeakPolarHBondContact CG2-O 3.31Å; I26-I36 HydrophobicContact CD1-CG1 3.73Å; I26-I36 HydrophobicContact CG1-CG1 3.87Å; I26-L121 HydrophobicContact CG2-CD1 4.42Å; I26-I169 HydrophobicContact CG1-CD1 3.95Å; I26-R170 PolarHBondContact N-O 3.06Å; I26-R171 CarbonylContact O-C 3.51Å; I26-R171 VanDerWaalsContact O-CA 3.3Å; I26-R171 WeakPolarHBondContact O-CA 3.45Å; I26-L172 PolarHBondContact O-N 2.99Å
27F93.3Very high92.2Very high25 Ų2526.6 Ų26.611%0.1113%0.133CC..EExtended strand (participates in β ladder)trans-92.7143.8-177.2-63.6-83.2000111.9D25 I33 D34 L172 L174 H351D25-F27 HydrophobicContact CB-CE2 4.14Å; D25-F27 HydrophobicContact CB-CZ 4.24Å; F27-I33 WeakPolarHBondContact O-CA 3.3Å; F27-D34 WeakPolarHBondContact CB-OD2 3.23Å; F27-D34 WeakPolarHBondContact CD2-OD2 3.47Å; F27-D34 PolarHBondContact N-OD2 2.61Å; F27-D34 PolarHBondContact O-N 2.84Å; F27-L172 CarbonylContact C-O 3.51Å; F27-L172 WeakPolarHBondContact CA-O 3.24Å; F27-L172 HydrophobicContact CD1-CB 3.75Å; F27-L172 HydrophobicContact CD1-CD1 4.32Å; F27-L172 HydrophobicContact CE1-CB 3.88Å; F27-L172 HydrophobicContact CE1-CD1 3.62Å; F27-L172 HydrophobicContact CE1-CG 4.36Å; F27-L172 HydrophobicContact CZ-CD1 3.99Å; F27-L174 HydrophobicContact CB-CD1 3.48Å; F27-L174 VanDerWaalsContact CB-CD1 3.48Å; F27-L174 HydrophobicContact CB-CG 3.85Å; F27-L174 HydrophobicContact CD1-CD1 3.9Å; F27-L174 HydrophobicContact CD1-CD2 3.6Å; F27-L174 HydrophobicContact CD1-CG 3.64Å; F27-L174 HydrophobicContact CE1-CD2 4.08Å; F27-L174 HydrophobicContact CG-CD1 3.85Å; F27-L174 HydrophobicContact CG-CD2 4.4Å; F27-L174 HydrophobicContact CG-CG 4.08Å; F27-H351 HydrophobicContact CE1-CB 3.93Å
28D93.4Very high92.4Very high1 Ų126.4 Ų26.41%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-126.6116.8174.6-178.4-6000109.2L30 I33 H123 R171 L172 T173 L174D28-L30 WeakPolarHBondContact OD1-CA 3.32Å; D28-L30 PolarHBondContact OD1-N 3.14Å; D28-I33 HydrophobicContact CB-CD1 4.28Å; D28-I33 HydrophobicContact CB-CG1 3.99Å; D28-I33 HydrophobicContact CB-CG2 4.28Å; D28-I33 VanDerWaalsContact OD2-CD1 3.29Å; D28-I33 WeakPolarHBondContact OD2-CD1 3.06Å; D28-H123 IonicContact OD1-CE1 3.72Å; D28-H123 PolarHBondContact OD1-CE1 3.44Å; D28-H123 IonicContact OD1-ND1 2.97Å; D28-H123 PolarHBondContact OD1-ND1 3.02Å; D28-H123 IonicContact OD2-CG 2.77Å; D28-H123 IonicContact OD2-ND1 3.42Å; D28-H123 PolarHBondContact OD2-ND1 3.03Å; D28-R171 IonicContact OD2-CZ 3.98Å; D28-R171 IonicContact OD2-NE 3.25Å; D28-R171 IonicContact OD2-NH2 3.07Å; D28-R171 PolarHBondContact OD2-NH2 2.99Å; D28-L172 PolarHBondContact N-O 3.26Å; D28-T173 WeakPolarHBondContact O-CA 3.49Å; D28-L174 PolarHBondContact O-N 3.22Å
29D91Very high92.5Very high16 Ų1625.7 Ų25.79%0.08613%0.128CC..  trans-102.514.4177.962.926.7000113.3Q31 M32 L174 I176 R353D29-Q31 PolarHBondContact O-N 2.84Å; D29-Q31 VanDerWaalsContact O-N 3.15Å; D29-Q31 WeakPolarHBondContact OD1-CA 3.48Å; D29-Q31 WeakPolarHBondContact OD1-CB 3.35Å; D29-Q31 PolarHBondContact OD1-N 3.12Å; D29-M32 PolarHBondContact N-O 3.44Å; D29-M32 VanDerWaalsContact N-O 3.16Å; D29-M32 PolarHBondContact OD1-N 3.28Å; D29-M32 VanDerWaalsContact OD1-O 3.13Å; D29-L174 HydrophobicContact CB-CB 4.06Å; D29-I176 HydrophobicContact CB-CD1 3.92Å; D29-I176 HydrophobicContact CB-CG1 4.19Å; D29-R353 IonicContact OD2-NH1 2.72Å; D29-R353 PolarHBondContact OD2-NH1 2.82Å
30L89.1Confident92.4Very high39 Ų3925.7 Ų25.720%0.20413%0.128CC..SBendtrans65-2.6-173.2-60-173.4000116.4D28 H123 L310 K312D28-L30 WeakPolarHBondContact OD1-CA 3.32Å; D28-L30 PolarHBondContact OD1-N 3.14Å; L30-H123 HydrophobicContact CD2-CB 4.37Å; L30-L310 HydrophobicContact CD1-CB 3.47Å; L30-L310 VanDerWaalsContact CD1-CB 3.47Å; L30-L310 HydrophobicContact CD1-CD1 4.26Å; L30-L310 HydrophobicContact CG-CB 4.13Å; L30-K312 HydrophobicContact CD2-CB 4.46Å; L30-K312 PolarHBondContact O-NZ 3.28Å
31Q89Confident92.3Very high145 Ų14526.2 Ų26.268%0.67813%0.132SC*.SBendtrans-105.3-46.4169.8-55.1-175.110.300110.4D29D29-Q31 PolarHBondContact O-N 2.84Å; D29-Q31 VanDerWaalsContact O-N 3.15Å; D29-Q31 WeakPolarHBondContact OD1-CA 3.48Å; D29-Q31 WeakPolarHBondContact OD1-CB 3.35Å; D29-Q31 PolarHBondContact OD1-N 3.12Å
32M89.8Confident92Very high126 Ų12626.5 Ų26.562%0.62113%0.133SC*.  trans-132.2148.8-178.4-64.8-62-68.500109.9D29D29-M32 PolarHBondContact N-O 3.44Å; D29-M32 VanDerWaalsContact N-O 3.16Å; D29-M32 PolarHBondContact OD1-N 3.28Å; D29-M32 VanDerWaalsContact OD1-O 3.13Å
33I92.2Very high91.5Very high16 Ų1628.2 Ų28.28%0.08214%0.142CC..BIsolated β-bridgetrans-119.4131.3168.7-49.9-171.4000107I26 F27 D28 L121 T122 H123I26-I33 HydrophobicContact CG2-CG2 3.86Å; F27-I33 WeakPolarHBondContact O-CA 3.3Å; D28-I33 HydrophobicContact CB-CD1 4.28Å; D28-I33 HydrophobicContact CB-CG1 3.99Å; D28-I33 HydrophobicContact CB-CG2 4.28Å; D28-I33 VanDerWaalsContact OD2-CD1 3.29Å; D28-I33 WeakPolarHBondContact OD2-CD1 3.06Å; I33-L121 HydrophobicContact CD1-CB 4.24Å; I33-L121 HydrophobicContact CG2-CB 4.18Å; I33-T122 WeakPolarHBondContact CD1-O 3.41Å; I33-H123 VanDerWaalsContact CG1-CE1 3.47Å; I33-H123 WeakPolarHBondContact CG1-CE1 3.2Å
34D92.6Very high91Very high22 Ų2230.3 Ų30.312%0.11815%0.151CC..  trans-59.8137.6174.9-55.4-35.3000109.3I26 F27 R353I26-D34 HydrophobicContact CG2-CB 4.22Å; I26-D34 WeakPolarHBondContact CG2-O 3.31Å; F27-D34 WeakPolarHBondContact CB-OD2 3.23Å; F27-D34 WeakPolarHBondContact CD2-OD2 3.47Å; F27-D34 PolarHBondContact N-OD2 2.61Å; F27-D34 PolarHBondContact O-N 2.84Å; D34-R353 IonicContact OD1-NH2 3.25Å; D34-R353 PolarHBondContact OD1-NH2 2.87Å; D34-R353 VanDerWaalsContact OD1-NH2 3.14Å
35P93Very high90.3Very high41 Ų4136.8 Ų36.827%0.26618%0.184SC..  trans-73.7153.4-179.731.4-36000111.2Q23 E37 H118Q23-P35 PolarHBondContact NE2-O 3.37Å; P35-E37 HydrophobicContact CB-CG 3.74Å; P35-E37 HydrophobicContact CG-CG 3.81Å; P35-E37 PolarHBondContact O-N 2.76Å; P35-H118 WeakPolarHBondContact CB-CE1 3.47Å
36I94Very high89.2Confident0 Ų041.7 Ų41.70%020%0.204CC..EExtended strand (participates in β ladder)trans-91105.7169.5-56.5164.1000107.5L21 I26 I56 H118 F119 L121 I169L21-I36 HydrophobicContact CD1-CG2 3.93Å; I26-I36 HydrophobicContact CD1-CG1 3.73Å; I26-I36 HydrophobicContact CG1-CG1 3.87Å; I36-I56 HydrophobicContact CD1-CD1 3.77Å; I36-I56 HydrophobicContact CD1-CG1 3.75Å; I36-H118 CarbonylContact O-C 3.6Å; I36-H118 WeakPolarHBondContact O-CA 3.28Å; I36-F119 HydrophobicContact CB-CB 4.18Å; I36-F119 HydrophobicContact CD1-CB 4.44Å; I36-F119 PolarHBondContact N-O 2.76Å; I36-F119 PolarHBondContact O-N 2.93Å; I36-L121 HydrophobicContact CD1-CD1 3.94Å; I36-L121 HydrophobicContact CD1-CD2 4Å; I36-L121 HydrophobicContact CD1-CG 3.97Å; I36-I169 HydrophobicContact CD1-CD1 3.55Å; I36-I169 HydrophobicContact CG1-CD1 3.9Å; I36-I169 HydrophobicContact CG2-CD1 4.23Å
37E92.9Very high88Confident25 Ų2542 Ų4212%0.11721%0.206CC..EExtended strand (participates in β ladder)trans-127.7147.8-172.2-61.4-171.5150.400112.5L21 I22 P35 S100 H118L21-E37 WeakPolarHBondContact CD1-O 3.48Å; I22-E37 HydrophobicContact CD1-CB 3.73Å; I22-E37 HydrophobicContact CG1-CB 4.44Å; I22-E37 PolarHBondContact N-O 3.43Å; P35-E37 HydrophobicContact CB-CG 3.74Å; P35-E37 HydrophobicContact CG-CG 3.81Å; P35-E37 PolarHBondContact O-N 2.76Å; E37-S100 WeakPolarHBondContact OE2-CB 3.15Å; E37-S100 PolarHBondContact OE2-OG 3.01Å; E37-H118 IonicContact OE1-CE1 2.79Å; E37-H118 PolarHBondContact OE1-CE1 2.98Å; E37-H118 IonicContact OE1-ND1 3.46Å; E37-H118 PolarHBondContact OE1-ND1 3.32Å
38G93.7Very high86.6Confident0 Ų048.9 Ų48.90%024%0.235CC..EExtended strand (participates in β ladder)trans177.1-170.3176.700000112.5Y20 Q103 F117Y20-G38 CarbonylContact O-C 3.53Å; Y20-G38 WeakPolarHBondContact O-CA 3.46Å; G38-Q103 PolarHBondContact O-NE2 3.19Å; G38-F117 VanDerWaalsContact C-CE1 3.47Å; G38-F117 PolarHBondContact N-O 2.81Å; G38-F117 PolarHBondContact O-N 3.25Å
39I93.6Very high85.2Confident0 Ų053.3 Ų53.30%027%0.267CS..EExtended strand (participates in β ladder)trans-129.9150.8168.770.1152.3000109.9Y20 T41 L106 F110 A114 L115 P116Y20-I39 HydrophobicContact CD2-CD1 4.2Å; Y20-I39 HydrophobicContact CD2-CG1 3.96Å; Y20-I39 HydrophobicContact CG-CG1 4.33Å; Y20-I39 PolarHBondContact N-O 3.19Å; Y20-I39 PolarHBondContact O-N 3.17Å; I39-T41 HydrophobicContact CD1-CG2 3.69Å; I39-L106 HydrophobicContact CD1-CB 3.74Å; I39-L106 HydrophobicContact CG1-CB 3.93Å; I39-L106 HydrophobicContact CG1-CD1 4.02Å; I39-L106 HydrophobicContact CG1-CG 4.42Å; I39-L106 HydrophobicContact CG2-CB 3.93Å; I39-L106 HydrophobicContact CG2-CD1 4.15Å; I39-F110 HydrophobicContact CD1-CB 4.37Å; I39-F110 HydrophobicContact CD1-CD2 3.42Å; I39-F110 VanDerWaalsContact CD1-CD2 3.42Å; I39-F110 HydrophobicContact CD1-CE2 4.02Å; I39-F110 HydrophobicContact CD1-CG 4.19Å; I39-A114 HydrophobicContact CD1-CB 3.82Å; I39-L115 CarbonylContact C-O 3.58Å; I39-L115 WeakPolarHBondContact CA-O 3.26Å; I39-P116 HydrophobicContact CG2-CB 4.25Å
40A93.6Very high84.5Confident0 Ų052.7 Ų52.70%026%0.263CS..EExtended strand (participates in β ladder)trans-104.7142.3161.200000109L17 V18 V19 I87 L115L17-A40 HydrophobicContact CD1-CB 3.95Å; V18-A40 CarbonylContact O-C 3.48Å; V18-A40 VanDerWaalsContact O-CA 3.23Å; V18-A40 WeakPolarHBondContact O-CA 3.39Å; V19-A40 HydrophobicContact CG2-CB 4.39Å; A40-I87 HydrophobicContact CB-CD1 3.71Å; A40-L115 HydrophobicContact CB-CB 4.35Å; A40-L115 PolarHBondContact N-O 3.22Å; A40-L115 WeakPolarHBondContact O-CA 3.44Å; A40-L115 WeakPolarHBondContact O-CB 3.5Å; A40-L115 PolarHBondContact O-N 3.45Å
41T91.3Very high84.4Confident19 Ų1955.4 Ų55.412%0.11727%0.273CS..EExtended strand (participates in β ladder)trans-112.2133.7171.863.70000109.8V18 Y20 I39 F110 N113V18-T41 WeakPolarHBondContact CB-OG1 3.38Å; V18-T41 PolarHBondContact N-O 3.06Å; V18-T41 PolarHBondContact O-N 3.47Å; Y20-T41 HydrophobicContact CD2-CG2 4.12Å; Y20-T41 HydrophobicContact CE2-CG2 3.7Å; I39-T41 HydrophobicContact CD1-CG2 3.69Å; T41-F110 HydrophobicContact CG2-CB 3.89Å; T41-F110 HydrophobicContact CG2-CD1 3.94Å; T41-F110 HydrophobicContact CG2-CD2 3.99Å; T41-F110 HydrophobicContact CG2-CE1 4.48Å; T41-F110 HydrophobicContact CG2-CG 3.67Å; T41-N113 WeakPolarHBondContact CA-O 3.37Å
42I88.1Confident84.3Confident7 Ų748.5 Ų48.54%0.03624%0.241CC..EExtended strand (participates in β ladder)trans-128.8157.3176.961.1163.3000111.1L17 K44 L47 V52 Y88 N113 L115L17-I42 HydrophobicContact CD1-CG2 3.57Å; I42-K44 HydrophobicContact CD1-CG 4.1Å; I42-K44 HydrophobicContact CG1-CG 4.18Å; I42-K44 PolarHBondContact O-N 2.84Å; I42-L47 HydrophobicContact CB-CD1 3.77Å; I42-L47 HydrophobicContact CD1-CD1 4.26Å; I42-L47 HydrophobicContact CG2-CD1 4.03Å; I42-V52 HydrophobicContact CD1-CG2 4.29Å; I42-V52 HydrophobicContact CG2-CG2 4.2Å; I42-Y88 HydrophobicContact CD1-CD1 3.86Å; I42-Y88 HydrophobicContact CD1-CD2 3.84Å; I42-Y88 HydrophobicContact CD1-CE1 4.13Å; I42-Y88 HydrophobicContact CD1-CE2 4.1Å; I42-Y88 HydrophobicContact CD1-CG 3.71Å; I42-N113 PolarHBondContact N-O 2.65Å; I42-N113 VanDerWaalsContact O-CB 3.31Å; I42-N113 WeakPolarHBondContact O-CB 3.18Å; I42-N113 PolarHBondContact O-OD1 3.28Å; I42-L115 HydrophobicContact CB-CD1 4.44Å; I42-L115 HydrophobicContact CD1-CD1 3.74Å; I42-L115 HydrophobicContact CG1-CD1 3.7Å; I42-L115 HydrophobicContact CG1-CG 4.23Å; I42-L115 HydrophobicContact CG2-CD1 3.96Å
43D82.9Confident84.4Confident43 Ų4344.7 Ų44.723%0.2322%0.221CC..  trans-85.797.2164.7-175.8-17.2000109.2M45 K46 L47D43-M45 PolarHBondContact O-N 2.77Å; D43-M45 WeakPolarHBondContact OD1-CB 3.25Å; D43-M45 PolarHBondContact OD1-N 3.05Å; D43-M45 VanDerWaalsContact OD1-N 3.13Å; D43-K46 HydrophobicContact CB-CB 4.38Å; D43-K46 HydrophobicContact CB-CD 4.33Å; D43-K46 HydrophobicContact CB-CG 4.44Å; D43-K46 PolarHBondContact O-N 2.73Å; D43-K46 VanDerWaalsContact O-N 3.11Å; D43-K46 WeakPolarHBondContact OD2-CD 3.27Å; D43-K46 WeakPolarHBondContact OD2-CE 3.32Å; D43-K46 WeakPolarHBondContact OD2-CG 3.3Å; D43-K46 IonicContact OD2-NZ 3.77Å; D43-K46 PolarHBondContact OD2-NZ 2.98Å; D43-L47 PolarHBondContact O-N 3.21Å
44K78.8Confident84.4Confident61 Ų6143.9 Ų43.927%0.26522%0.217SC..THydrogen-bonded Turntrans-57.7-30.3-178.4-74.7-179.3166.9176.60112.9I42 K46 L47 K48 Y88 D112I42-K44 HydrophobicContact CD1-CG 4.1Å; I42-K44 HydrophobicContact CG1-CG 4.18Å; I42-K44 PolarHBondContact O-N 2.84Å; K44-K46 VanDerWaalsContact C-N 3.3Å; K44-K46 PolarHBondContact O-N 2.88Å; K44-L47 PolarHBondContact O-N 2.87Å; K44-K48 WeakPolarHBondContact O-CG 3.46Å; K44-K48 PolarHBondContact O-N 3.27Å; K44-Y88 HydrophobicContact CD-CE2 4.34Å; K44-Y88 HydrophobicContact CG-CE2 4.09Å; K44-D112 WeakPolarHBondContact CE-O 3.44Å; K44-D112 PolarHBondContact NZ-O 3.05Å
45M76.1Confident84.4Confident155 Ų15545.1 Ų45.176%0.76422%0.22SC*.THydrogen-bonded Turntrans-66.6-35.1179.4-66.1-168.2-75.100111.8D43D43-M45 PolarHBondContact O-N 2.77Å; D43-M45 WeakPolarHBondContact OD1-CB 3.25Å; D43-M45 PolarHBondContact OD1-N 3.05Å; D43-M45 VanDerWaalsContact OD1-N 3.13Å
46K71.2Confident84.5Confident134 Ų13443.1 Ų43.158%0.58321%0.208SC*.THydrogen-bonded Turntrans-85-16.6-179.8-66.3-178.8-176.7127.90113.7D43 K44D43-K46 HydrophobicContact CB-CB 4.38Å; D43-K46 HydrophobicContact CB-CD 4.33Å; D43-K46 HydrophobicContact CB-CG 4.44Å; D43-K46 PolarHBondContact O-N 2.73Å; D43-K46 VanDerWaalsContact O-N 3.11Å; D43-K46 WeakPolarHBondContact OD2-CD 3.27Å; D43-K46 WeakPolarHBondContact OD2-CE 3.32Å; D43-K46 WeakPolarHBondContact OD2-CG 3.3Å; D43-K46 IonicContact OD2-NZ 3.77Å; D43-K46 PolarHBondContact OD2-NZ 2.98Å; K44-K46 VanDerWaalsContact C-N 3.3Å; K44-K46 PolarHBondContact O-N 2.88Å
47L67.6Low84.4Confident8 Ų846.5 Ų46.54%0.04222%0.22CC..  trans-118.119.5-171.9-72.5163.5000113.2I42 D43 K44 S49 S50 T154 Y157I42-L47 HydrophobicContact CB-CD1 3.77Å; I42-L47 HydrophobicContact CD1-CD1 4.26Å; I42-L47 HydrophobicContact CG2-CD1 4.03Å; D43-L47 PolarHBondContact O-N 3.21Å; K44-L47 PolarHBondContact O-N 2.87Å; L47-S49 PolarHBondContact O-N 3.17Å; L47-S50 PolarHBondContact O-N 3.45Å; L47-T154 HydrophobicContact CD2-CG2 4.22Å; L47-Y157 HydrophobicContact CD2-CE2 4.21Å
48K64.8Low84.5Confident168 Ų16845.3 Ų45.373%0.7322%0.215SC*.THydrogen-bonded Turntrans-48.3-35.2-173.8-76.6-171.1177.2-177.70114.9K44K44-K48 WeakPolarHBondContact O-CG 3.46Å; K44-K48 PolarHBondContact O-N 3.27Å
49S63.3Low84.3Confident95 Ų9545.6 Ų45.666%0.66422%0.216SC*.THydrogen-bonded Turntrans-98.7-4.4179.8510000114.6L47 Q156L47-S49 PolarHBondContact O-N 3.17Å; S49-Q156 PolarHBondContact O-NE2 3.18Å; S49-Q156 PolarHBondContact O-OE1 3.24Å; S49-Q156 VanDerWaalsContact O-OE1 3.05Å
50S76.9Confident84Confident2 Ų245.7 Ų45.71%0.01422%0.217CC..  trans-99.9129.6-171.2-62.30000113.7L47 Y88 Q156 Y157L47-S50 PolarHBondContact O-N 3.45Å; S50-Y88 WeakPolarHBondContact O-CD1 3.38Å; S50-Y88 WeakPolarHBondContact O-CE1 3.1Å; S50-Q156 PolarHBondContact OG-OE1 3.16Å; S50-Y157 WeakPolarHBondContact OG-CE2 3.42Å
51K86.4Confident83.4Confident96 Ų9648.8 Ų48.842%0.41723%0.228SC..  trans-77.9143.2170.1-64.4-179.2171.5-162.50110.4F53 Y88 T154K51-F53 HydrophobicContact CB-CD2 4.38Å; K51-F53 HydrophobicContact CB-CE2 3.57Å; K51-F53 HydrophobicContact CB-CZ 3.96Å; K51-F53 HydrophobicContact CD-CE2 4.28Å; K51-F53 HydrophobicContact CD-CZ 3.93Å; K51-Y88 CarbonylContact C-O 3.58Å; K51-Y88 VanDerWaalsContact CA-O 3.26Å; K51-Y88 WeakPolarHBondContact CA-O 3.48Å; K51-T154 WeakPolarHBondContact O-CA 3.32Å
52V88.3Confident82.5Confident0 Ų051 Ų510%024%0.235CC..EExtended strand (participates in β ladder)trans-115.5130.2170.8-173.10000108.2L17 I42 I87 Y88 L115 S152 E153 T154L17-V52 HydrophobicContact CD1-CG1 4.36Å; I42-V52 HydrophobicContact CD1-CG2 4.29Å; I42-V52 HydrophobicContact CG2-CG2 4.2Å; V52-I87 HydrophobicContact CB-CD1 4.49Å; V52-I87 HydrophobicContact CB-CG1 3.94Å; V52-I87 HydrophobicContact CG1-CD1 3.78Å; V52-I87 HydrophobicContact CG1-CG1 3.72Å; V52-I87 WeakPolarHBondContact O-CG1 3.43Å; V52-I87 PolarHBondContact O-N 2.89Å; V52-Y88 HydrophobicContact CG2-CD1 4.2Å; V52-Y88 HydrophobicContact CG2-CG 4.4Å; V52-Y88 PolarHBondContact N-O 3.46Å; V52-Y88 PolarHBondContact O-N 2.79Å; V52-L115 HydrophobicContact CG2-CD1 4.42Å; V52-S152 WeakPolarHBondContact CG1-OG 3.34Å; V52-E153 WeakPolarHBondContact CA-O 2.98Å; V52-T154 HydrophobicContact CG2-CG2 3.76Å
53F90.7Very high81.5Confident46 Ų4652.1 Ų52.120%0.20225%0.249CC..EExtended strand (participates in β ladder)trans-112.2141.6174.9-61.7-90.4000109.5K51 T84 K85 Q86 S152 E153 P155K51-F53 HydrophobicContact CB-CD2 4.38Å; K51-F53 HydrophobicContact CB-CE2 3.57Å; K51-F53 HydrophobicContact CB-CZ 3.96Å; K51-F53 HydrophobicContact CD-CE2 4.28Å; K51-F53 HydrophobicContact CD-CZ 3.93Å; F53-T84 HydrophobicContact CB-CG2 4.04Å; F53-T84 HydrophobicContact CD1-CG2 4Å; F53-T84 HydrophobicContact CG-CG2 4.37Å; F53-K85 CarbonylContact C-O 3.58Å; F53-K85 WeakPolarHBondContact CA-O 3.42Å; F53-Q86 HydrophobicContact CD1-CB 3.84Å; F53-Q86 HydrophobicContact CD1-CG 4.2Å; F53-Q86 HydrophobicContact CE1-CB 3.68Å; F53-Q86 HydrophobicContact CE1-CG 3.85Å; F53-Q86 HydrophobicContact CZ-CG 4.25Å; F53-S152 CarbonylContact O-C 3.58Å; F53-S152 WeakPolarHBondContact O-CA 3.3Å; F53-S152 PolarHBondContact O-OG 3.1Å; F53-E153 PolarHBondContact N-O 2.71Å; F53-E153 PolarHBondContact O-N 2.67Å; F53-P155 HydrophobicContact CD2-CG 3.9Å; F53-P155 HydrophobicContact CE2-CG 3.67Å
54A92.5Very high80.2Confident0 Ų054.6 Ų54.60%026%0.259CS..EExtended strand (participates in β ladder)trans-103.7135.1162.600000108T84 K85 I87 F117 F119 Y150 A151A54-T84 CarbonylContact O-C 3.57Å; A54-T84 WeakPolarHBondContact O-CA 3.43Å; A54-K85 PolarHBondContact N-O 3.44Å; A54-K85 PolarHBondContact O-N 2.76Å; A54-I87 HydrophobicContact CB-CD1 4.23Å; A54-I87 HydrophobicContact CB-CG2 3.75Å; A54-F117 HydrophobicContact CB-CB 4.25Å; A54-F117 HydrophobicContact CB-CG 4.46Å; A54-F119 HydrophobicContact CB-CE2 3.96Å; A54-F119 HydrophobicContact CB-CZ 3.76Å; A54-Y150 HydrophobicContact CB-CE2 3.85Å; A54-A151 CarbonylContact C-O 3.54Å; A54-A151 WeakPolarHBondContact CA-O 3.43Å
55R93.2Very high78.8Confident47 Ų4756.5 Ų56.518%0.17727%0.269CS..EExtended strand (participates in β ladder)trans-135.3134.9-178.2176.6170.761.5-136.9-7109.5I82 Q83 T84 Y150 A151 E153R55-I82 HydrophobicContact CG-CD1 4.47Å; R55-I82 HydrophobicContact CG-CG1 4.16Å; R55-Q83 CarbonylContact C-O 3.59Å; R55-Q83 VanDerWaalsContact CA-O 3.26Å; R55-Q83 WeakPolarHBondContact CA-O 3.47Å; R55-T84 HydrophobicContact CB-CG2 4.42Å; R55-T84 WeakPolarHBondContact CD-OG1 3.47Å; R55-Y150 CarbonylContact O-C 3.59Å; R55-Y150 VanDerWaalsContact O-CA 3.28Å; R55-Y150 WeakPolarHBondContact O-CA 3.29Å; R55-A151 HydrophobicContact CB-CB 4.48Å; R55-A151 PolarHBondContact N-O 3.45Å; R55-A151 PolarHBondContact O-N 2.92Å; R55-E153 IonicContact CZ-OE1 3.86Å; R55-E153 VanDerWaalsContact CZ-OE1 3.25Å; R55-E153 IonicContact CZ-OE2 2.77Å; R55-E153 IonicContact NH1-OE1 3.09Å; R55-E153 PolarHBondContact NH1-OE1 3.36Å; R55-E153 IonicContact NH1-OE2 2.76Å; R55-E153 VanDerWaalsContact NH2-CD 3.25Å; R55-E153 IonicContact NH2-OE1 3.37Å; R55-E153 PolarHBondContact NH2-OE1 2.65Å; R55-E153 VanDerWaalsContact NH2-OE1 3.07Å; R55-E153 IonicContact NH2-OE2 2.61Å; R55-E153 PolarHBondContact NH2-OE2 2.67Å
56I95.1Very high77.3Confident0 Ų054.9 Ų54.90%026%0.259CS..EExtended strand (participates in β ladder)trans-109.9135.1165.8-172.166.6000108.3I36 F81 I82 Q83 F119 Y148 I169I36-I56 HydrophobicContact CD1-CD1 3.77Å; I36-I56 HydrophobicContact CD1-CG1 3.75Å; I56-F81 HydrophobicContact CG2-CD1 4.31Å; I56-F81 HydrophobicContact CG2-CE1 3.53Å; I56-F81 HydrophobicContact CG2-CZ 4.35Å; I56-I82 WeakPolarHBondContact O-CA 3.23Å; I56-Q83 HydrophobicContact CG2-CB 3.82Å; I56-Q83 PolarHBondContact N-O 2.61Å; I56-Q83 PolarHBondContact O-N 2.78Å; I56-F119 HydrophobicContact CB-CD1 4.35Å; I56-F119 HydrophobicContact CB-CG 4.45Å; I56-F119 HydrophobicContact CG2-CB 4.3Å; I56-F119 HydrophobicContact CG2-CD1 3.56Å; I56-F119 HydrophobicContact CG2-CE1 4.02Å; I56-F119 HydrophobicContact CG2-CG 3.97Å; I56-Y148 HydrophobicContact CD1-CD1 4.46Å; I56-Y148 HydrophobicContact CG1-CD1 4.38Å; I56-I169 HydrophobicContact CD1-CD1 3.68Å; I56-I169 HydrophobicContact CD1-CG1 4.37Å
57R92.5Very high75.9Confident71 Ų7152.7 Ų52.727%0.26825%0.253SS..EExtended strand (participates in β ladder)trans-135.7133.6-179.1179.9-176.5-82.2173.1-3109.9T59 E79 F81 Y148 I149R57-T59 HydrophobicContact CG-CG2 3.77Å; R57-E79 VanDerWaalsContact CD-OE2 3.3Å; R57-E79 WeakPolarHBondContact CD-OE2 3.46Å; R57-E79 HydrophobicContact CG-CG 4.28Å; R57-E79 WeakPolarHBondContact CG-OE2 3.44Å; R57-E79 IonicContact CZ-OE2 3.18Å; R57-E79 IonicContact NE-OE2 2.86Å; R57-E79 PolarHBondContact NE-OE2 2.89Å; R57-E79 IonicContact NH2-OE2 3.24Å; R57-F81 CarbonylContact C-O 3.56Å; R57-F81 WeakPolarHBondContact CA-O 3.34Å; R57-Y148 CarbonylContact O-C 3.54Å; R57-Y148 VanDerWaalsContact O-CA 3.29Å; R57-Y148 WeakPolarHBondContact O-CA 3.34Å; R57-I149 PolarHBondContact N-O 2.95Å; R57-I149 PolarHBondContact O-N 3.34Å
58C93.8Very high75Confident0 Ų054.9 Ų54.90%027%0.265CS..EExtended strand (participates in β ladder)trans-111117.9170.8179.90000109.5F80 F81 I146 E147 Y148C58-F80 HydrophobicContact CB-CB 4.39Å; C58-F80 PolarHBondContact O-N 2.76Å; C58-F81 HydrophobicContact CB-CB 3.94Å; C58-F81 PolarHBondContact N-O 3.11Å; C58-I146 VanDerWaalsContact SG-CG2 3.57Å; C58-E147 WeakPolarHBondContact CA-O 3.46Å; C58-Y148 HydrophobicContact CB-CD1 3.94Å; C58-Y148 HydrophobicContact CB-CD2 4.45Å; C58-Y148 HydrophobicContact CB-CE1 3.58Å; C58-Y148 HydrophobicContact CB-CE2 4.14Å; C58-Y148 HydrophobicContact CB-CG 4.36Å; C58-Y148 WeakPolarHBondContact SG-CE2 3.35Å
59T90.1Very high74.2Confident5 Ų554 Ų543%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-128.6140176.556.40000112.4R57 Y77 K78 E79 I146 E147R57-T59 HydrophobicContact CG-CG2 3.77Å; T59-Y77 HydrophobicContact CG2-CD2 3.55Å; T59-Y77 HydrophobicContact CG2-CE2 3.89Å; T59-Y77 HydrophobicContact CG2-CG 4.41Å; T59-K78 CarbonylContact C-O 3.57Å; T59-K78 WeakPolarHBondContact CA-O 3.35Å; T59-E79 HydrophobicContact CG2-CB 4.35Å; T59-E79 HydrophobicContact CG2-CG 4.37Å; T59-I146 WeakPolarHBondContact O-CA 3.2Å; T59-E147 PolarHBondContact N-O 3.42Å; T59-E147 VanDerWaalsContact N-O 3.08Å; T59-E147 PolarHBondContact O-N 2.98Å
60F87.8Confident73.4Confident3 Ų354.8 Ų54.81%0.01327%0.269CS..EExtended strand (participates in β ladder)trans-82.3128.2157.8-173.2-86.5000109.7Y62 Y77 K78 F80 G145 I146 L245 I322F60-Y62 AromaticContact CD1-CD1 3.91Å; F60-Y62 HydrophobicContact CD1-CD1 3.91Å; F60-Y62 HydrophobicContact CD1-CD2 4.09Å; F60-Y62 AromaticContact CD1-CE1 3.55Å; F60-Y62 HydrophobicContact CD1-CE1 3.55Å; F60-Y62 AromaticContact CD1-CE2 3.77Å; F60-Y62 HydrophobicContact CD1-CE2 3.77Å; F60-Y62 HydrophobicContact CD1-CG 4.08Å; F60-Y62 AromaticContact CD1-CZ 3.39Å; F60-Y62 AromaticContact CE1-CD1 3.35Å; F60-Y62 HydrophobicContact CE1-CD1 3.35Å; F60-Y62 HydrophobicContact CE1-CD2 4.29Å; F60-Y62 AromaticContact CE1-CE1 3.24Å; F60-Y62 HydrophobicContact CE1-CE1 3.24Å; F60-Y62 HydrophobicContact CE1-CE2 4.23Å; F60-Y62 AromaticContact CE1-CG 3.81Å; F60-Y62 HydrophobicContact CE1-CG 3.81Å; F60-Y62 AromaticContact CE1-CZ 3.65Å; F60-Y62 HydrophobicContact CZ-CD1 4.39Å; F60-Y62 HydrophobicContact CZ-CE1 4.23Å; F60-Y77 CarbonylContact O-C 3.55Å; F60-Y77 WeakPolarHBondContact O-CA 3.46Å; F60-Y77 WeakPolarHBondContact O-CB 3.04Å; F60-K78 HydrophobicContact CB-CB 4.29Å; F60-K78 PolarHBondContact N-O 3.29Å; F60-K78 PolarHBondContact O-N 2.78Å; F60-F80 HydrophobicContact CB-CE2 3.67Å; F60-F80 HydrophobicContact CB-CZ 4.32Å; F60-G145 CarbonylContact C-O 3.57Å; F60-G145 VanDerWaalsContact CA-O 3.25Å; F60-G145 WeakPolarHBondContact CA-O 3.48Å; F60-I146 HydrophobicContact CB-CG1 4.4Å; F60-I146 HydrophobicContact CD2-CD1 4.31Å; F60-I146 HydrophobicContact CD2-CG1 3.72Å; F60-L245 HydrophobicContact CB-CD1 3.66Å; F60-L245 HydrophobicContact CD1-CD1 3.79Å; F60-L245 HydrophobicContact CD2-CD1 3.49Å; F60-L245 VanDerWaalsContact CD2-CD1 3.49Å; F60-L245 HydrophobicContact CE1-CD1 4.3Å; F60-L245 HydrophobicContact CE2-CD1 4Å; F60-L245 HydrophobicContact CG-CD1 3.36Å; F60-L245 HydrophobicContact CZ-CD1 4.4Å; F60-I322 HydrophobicContact CD2-CD1 4.23Å; F60-I322 HydrophobicContact CD2-CG1 4.27Å; F60-I322 HydrophobicContact CE2-CD1 3.73Å; F60-I322 HydrophobicContact CE2-CG1 3.75Å
61R80.6Confident71.9Confident64 Ų6458.4 Ų58.424%0.24229%0.288CS..EExtended strand (participates in β ladder)trans-107131.4171.1-68.6-174.6175.5150.67.7110.4C144 G145 E147R61-C144 WeakPolarHBondContact O-CA 3.25Å; R61-C144 PolarHBondContact O-SG 3.12Å; R61-G145 PolarHBondContact N-O 3.49Å; R61-G145 PolarHBondContact O-N 3.07Å; R61-G145 VanDerWaalsContact O-N 3.11Å; R61-E147 IonicContact CZ-OE2 3.24Å; R61-E147 IonicContact NH1-OE2 2.76Å; R61-E147 PolarHBondContact NH1-OE2 3.36Å; R61-E147 IonicContact NH2-OE2 3.53Å
62Y72.1Confident70Confident65 Ų6559.9 Ų59.926%0.25531%0.31SS..  trans-75.9-20.6-176.2-68.7-81.7000114.2F60 F76 K78 C144 L245 F246F60-Y62 AromaticContact CD1-CD1 3.91Å; F60-Y62 HydrophobicContact CD1-CD1 3.91Å; F60-Y62 HydrophobicContact CD1-CD2 4.09Å; F60-Y62 AromaticContact CD1-CE1 3.55Å; F60-Y62 HydrophobicContact CD1-CE1 3.55Å; F60-Y62 AromaticContact CD1-CE2 3.77Å; F60-Y62 HydrophobicContact CD1-CE2 3.77Å; F60-Y62 HydrophobicContact CD1-CG 4.08Å; F60-Y62 AromaticContact CD1-CZ 3.39Å; F60-Y62 AromaticContact CE1-CD1 3.35Å; F60-Y62 HydrophobicContact CE1-CD1 3.35Å; F60-Y62 HydrophobicContact CE1-CD2 4.29Å; F60-Y62 AromaticContact CE1-CE1 3.24Å; F60-Y62 HydrophobicContact CE1-CE1 3.24Å; F60-Y62 HydrophobicContact CE1-CE2 4.23Å; F60-Y62 AromaticContact CE1-CG 3.81Å; F60-Y62 HydrophobicContact CE1-CG 3.81Å; F60-Y62 AromaticContact CE1-CZ 3.65Å; F60-Y62 HydrophobicContact CZ-CD1 4.39Å; F60-Y62 HydrophobicContact CZ-CE1 4.23Å; Y62-F76 HydrophobicContact CD2-CB 4.4Å; Y62-F76 VanDerWaalsContact CD2-O 3.29Å; Y62-F76 WeakPolarHBondContact CD2-O 3.26Å; Y62-F76 PolarHBondContact N-O 3.32Å; Y62-K78 HydrophobicContact CE2-CB 4.49Å; Y62-C144 PolarHBondContact O-SG 3.32Å; Y62-C144 VanDerWaalsContact O-SG 3.33Å; Y62-L245 HydrophobicContact CE1-CB 4.49Å; Y62-L245 WeakPolarHBondContact OH-CD1 3.23Å; Y62-F246 AromaticContact CE1-CD2 3.57Å; Y62-F246 HydrophobicContact CE1-CD2 3.57Å; Y62-F246 HydrophobicContact CE1-CE2 4.1Å; Y62-F246 HydrophobicContact CE2-CD2 4.02Å; Y62-F246 AromaticContact CE2-CE2 3.66Å; Y62-F246 HydrophobicContact CE2-CE2 3.66Å; Y62-F246 AromaticContact CZ-CD2 3.24Å; Y62-F246 AromaticContact CZ-CE2 3.31Å; Y62-F246 WeakPolarHBondContact OH-CD2 3.42Å; Y62-F246 WeakPolarHBondContact OH-CE2 3.28Å
63G66.4Low68.1Low32 Ų3263.3 Ų63.333%0.3335%0.346SS..SBendtrans125.9174.4-174.400000111.3
64E55.7Low66Low94 Ų9464.9 Ų64.944%0.43936%0.359SS..  trans1099.3-174.4-101176.3-176.900116.9Q66 L67E64-Q66 PolarHBondContact O-N 2.96Å; E64-L67 PolarHBondContact O-N 3.05Å; E64-L67 VanDerWaalsContact O-N 3.13Å
65Q49.1Very low64.1Low101 Ų10169.1 Ų69.147%0.47239%0.385SS..THydrogen-bonded Turntrans-48.6-21.8168.3-86.9-172.8-30.400113.8L67 D68 N142Q65-L67 PolarHBondContact O-N 3.16Å; Q65-L67 VanDerWaalsContact O-N 3.14Å; Q65-D68 WeakPolarHBondContact O-CB 3.34Å; Q65-D68 PolarHBondContact O-N 2.97Å; Q65-N142 WeakPolarHBondContact CG-ND2 3.36Å; Q65-N142 PolarHBondContact OE1-ND2 3.27Å
66Q46.4Very low63Low122 Ų12270.1 Ų70.157%0.5739%0.391SS*.Hα-helixtrans-60-24.8180-66.9-172.119.600112.7E64 V70E64-Q66 PolarHBondContact O-N 2.96Å; Q66-V70 WeakPolarHBondContact O-CG2 3.43Å
67L41.7Very low62.1Low87 Ų8774.1 Ų74.146%0.45541%0.406SS..Hα-helixtrans-75.6-26.3172.2-85.7132.1000113.5E64 Q65 D69 L71 F76E64-L67 PolarHBondContact O-N 3.05Å; E64-L67 VanDerWaalsContact O-N 3.13Å; Q65-L67 PolarHBondContact O-N 3.16Å; Q65-L67 VanDerWaalsContact O-N 3.14Å; L67-D69 VanDerWaalsContact C-N 3.33Å; L67-D69 PolarHBondContact O-N 2.91Å; L67-L71 HydrophobicContact CD2-CD1 4.11Å; L67-L71 PolarHBondContact O-N 3.08Å; L67-F76 HydrophobicContact CB-CD2 4.08Å; L67-F76 HydrophobicContact CB-CE2 3.82Å; L67-F76 HydrophobicContact CB-CZ 4.45Å; L67-F76 HydrophobicContact CD2-CE2 4.5Å; L67-F76 HydrophobicContact CD2-CZ 4.41Å
68D47.1Very low61.8Low54 Ų5474.4 Ų74.429%0.28941%0.41SS..Hα-helixtrans-65.9-35.7178-71.3-34.7000111.3Q65 F76Q65-D68 WeakPolarHBondContact O-CB 3.34Å; Q65-D68 PolarHBondContact O-N 2.97Å; D68-F76 WeakPolarHBondContact OD1-CD2 3.49Å; D68-F76 PolarHBondContact OD1-N 3.38Å
69D47.6Very low61.5Low150 Ų15077.9 Ų77.980%0.80243%0.426SS*.Hα-helixtrans-81-25.2-178.7-77.3-17.6000113.1L67L67-D69 VanDerWaalsContact C-N 3.33Å; L67-D69 PolarHBondContact O-N 2.91Å
70V46.9Very low61.5Low112 Ų11279.5 Ų79.568%0.67943%0.433SS*.Hα-helixtrans-87.3-29.9-177.5177.10000112.3Q66Q66-V70 WeakPolarHBondContact O-CG2 3.43Å
71L46.6Very low61.7Low78 Ų7881.3 Ų81.341%0.40844%0.44SS..SBendtrans-105.578.8179.7-65171.9000109.4L67 G73 V74 F76L67-L71 HydrophobicContact CD2-CD1 4.11Å; L67-L71 PolarHBondContact O-N 3.08Å; L71-G73 VanDerWaalsContact C-N 3.27Å; L71-G73 PolarHBondContact O-N 2.61Å; L71-V74 HydrophobicContact CB-CB 4.31Å; L71-V74 HydrophobicContact CB-CG2 4.33Å; L71-V74 PolarHBondContact O-N 3.1Å; L71-F76 HydrophobicContact CD1-CE2 3.86Å; L71-F76 HydrophobicContact CD1-CZ 3.68Å
72S46.4Very low62.4Low126 Ų12681.6 Ų81.688%0.88145%0.446SS*.THydrogen-bonded Turntrans-40.474.6177.6-57.30000115.4
73G47.7Very low63.4Low73 Ų7381.3 Ų81.375%0.75345%0.447SS*.THydrogen-bonded Turntrans129.7-3.6175.900000116.9L71L71-G73 VanDerWaalsContact C-N 3.27Å; L71-G73 PolarHBondContact O-N 2.61Å
74V47.7Very low64.7Low79 Ų7983.1 Ų83.148%0.47945%0.452SS..  trans-98.796.1176.8-171.90000109.3L71 F76L71-V74 HydrophobicContact CB-CB 4.31Å; L71-V74 HydrophobicContact CB-CG2 4.33Å; L71-V74 PolarHBondContact O-N 3.1Å; V74-F76 HydrophobicContact CB-CE2 4.17Å; V74-F76 HydrophobicContact CB-CZ 4.39Å; V74-F76 HydrophobicContact CG1-CD2 4.41Å; V74-F76 HydrophobicContact CG1-CE1 4.19Å; V74-F76 HydrophobicContact CG1-CE2 4Å; V74-F76 HydrophobicContact CG1-CZ 3.88Å; V74-F76 WeakPolarHBondContact O-CD2 3.44Å; V74-F76 PolarHBondContact O-N 2.69Å
75T52.9Low66.3Low89 Ų8982.3 Ų82.355%0.54645%0.447SS..  trans-71.8113.1171.4490000110Y77T75-Y77 HydrophobicContact CG2-CD1 4.33Å; T75-Y77 HydrophobicContact CG2-CE1 3.72Å; T75-Y77 PolarHBondContact O-N 2.99Å
76F68Low68.3Low67 Ų6781.2 Ų81.229%0.29444%0.442SS..  trans-81.456.1176.3-68.9-85.9000111.7Y62 L67 D68 L71 V74Y62-F76 HydrophobicContact CD2-CB 4.4Å; Y62-F76 VanDerWaalsContact CD2-O 3.29Å; Y62-F76 WeakPolarHBondContact CD2-O 3.26Å; Y62-F76 PolarHBondContact N-O 3.32Å; L67-F76 HydrophobicContact CB-CD2 4.08Å; L67-F76 HydrophobicContact CB-CE2 3.82Å; L67-F76 HydrophobicContact CB-CZ 4.45Å; L67-F76 HydrophobicContact CD2-CE2 4.5Å; L67-F76 HydrophobicContact CD2-CZ 4.41Å; D68-F76 WeakPolarHBondContact OD1-CD2 3.49Å; D68-F76 PolarHBondContact OD1-N 3.38Å; L71-F76 HydrophobicContact CD1-CE2 3.86Å; L71-F76 HydrophobicContact CD1-CZ 3.68Å; V74-F76 HydrophobicContact CB-CE2 4.17Å; V74-F76 HydrophobicContact CB-CZ 4.39Å; V74-F76 HydrophobicContact CG1-CD2 4.41Å; V74-F76 HydrophobicContact CG1-CE1 4.19Å; V74-F76 HydrophobicContact CG1-CE2 4Å; V74-F76 HydrophobicContact CG1-CZ 3.88Å; V74-F76 WeakPolarHBondContact O-CD2 3.44Å; V74-F76 PolarHBondContact O-N 2.69Å
77Y77.1Confident70.4Confident84 Ų8475.9 Ų75.933%0.32942%0.417SS..EExtended strand (participates in β ladder)trans-143.8152.6168.473.4-96.7000111.7T59 F60 T75 E79T59-Y77 HydrophobicContact CG2-CD2 3.55Å; T59-Y77 HydrophobicContact CG2-CE2 3.89Å; T59-Y77 HydrophobicContact CG2-CG 4.41Å; F60-Y77 CarbonylContact O-C 3.55Å; F60-Y77 WeakPolarHBondContact O-CA 3.46Å; F60-Y77 WeakPolarHBondContact O-CB 3.04Å; T75-Y77 HydrophobicContact CG2-CD1 4.33Å; T75-Y77 HydrophobicContact CG2-CE1 3.72Å; T75-Y77 PolarHBondContact O-N 2.99Å; Y77-E79 HydrophobicContact CE2-CB 4.27Å
78K85.3Confident72.6Confident78 Ų7873.3 Ų73.334%0.33940%0.401SS..EExtended strand (participates in β ladder)trans-107.5126.1169.1-177.8179.1178.9177.30109T59 F60 Y62 F80 L245T59-K78 CarbonylContact C-O 3.57Å; T59-K78 WeakPolarHBondContact CA-O 3.35Å; F60-K78 HydrophobicContact CB-CB 4.29Å; F60-K78 PolarHBondContact N-O 3.29Å; F60-K78 PolarHBondContact O-N 2.78Å; Y62-K78 HydrophobicContact CE2-CB 4.49Å; K78-F80 HydrophobicContact CD-CE1 4.09Å; K78-F80 HydrophobicContact CD-CZ 4.24Å; K78-L245 HydrophobicContact CD-CD1 4.13Å; K78-L245 HydrophobicContact CD-CD2 3.46Å; K78-L245 VanDerWaalsContact CD-CD2 3.46Å; K78-L245 HydrophobicContact CD-CG 4.36Å
79E89.6Confident74.5Confident72 Ų7273.9 Ų73.934%0.33641%0.408SS..EExtended strand (participates in β ladder)trans-87.7122.1171.9-167.6172.876.800109.4R57 T59 Y77 I82R57-E79 VanDerWaalsContact CD-OE2 3.3Å; R57-E79 WeakPolarHBondContact CD-OE2 3.46Å; R57-E79 HydrophobicContact CG-CG 4.28Å; R57-E79 WeakPolarHBondContact CG-OE2 3.44Å; R57-E79 IonicContact CZ-OE2 3.18Å; R57-E79 IonicContact NE-OE2 2.86Å; R57-E79 PolarHBondContact NE-OE2 2.89Å; R57-E79 IonicContact NH2-OE2 3.24Å; T59-E79 HydrophobicContact CG2-CB 4.35Å; T59-E79 HydrophobicContact CG2-CG 4.37Å; Y77-E79 HydrophobicContact CE2-CB 4.27Å; E79-I82 HydrophobicContact CG-CB 4.4Å; E79-I82 VanDerWaalsContact OE1-CG2 3.23Å; E79-I82 WeakPolarHBondContact OE1-CG2 3.48Å
80F89.3Confident76.1Confident40 Ų4069.9 Ų69.918%0.17539%0.386CS..EExtended strand (participates in β ladder)trans-93.1-31174.9-68.7-79.4000112.3C58 F60 K78 P126 I146 L245 N319C58-F80 HydrophobicContact CB-CB 4.39Å; C58-F80 PolarHBondContact O-N 2.76Å; F60-F80 HydrophobicContact CB-CE2 3.67Å; F60-F80 HydrophobicContact CB-CZ 4.32Å; K78-F80 HydrophobicContact CD-CE1 4.09Å; K78-F80 HydrophobicContact CD-CZ 4.24Å; F80-P126 HydrophobicContact CB-CG 4.21Å; F80-P126 HydrophobicContact CD1-CG 4.31Å; F80-P126 HydrophobicContact CD2-CG 3.63Å; F80-P126 HydrophobicContact CE2-CG 3.84Å; F80-P126 HydrophobicContact CG-CG 3.83Å; F80-P126 HydrophobicContact CZ-CG 4.32Å; F80-I146 HydrophobicContact CE2-CD1 4.1Å; F80-I146 HydrophobicContact CE2-CG1 4.32Å; F80-L245 HydrophobicContact CE1-CD2 4Å; F80-L245 HydrophobicContact CE2-CD1 4.33Å; F80-L245 HydrophobicContact CZ-CD1 3.69Å; F80-L245 HydrophobicContact CZ-CD2 3.87Å; F80-L245 HydrophobicContact CZ-CG 4.25Å; F80-N319 WeakPolarHBondContact CD1-O 3.39Å; F80-N319 VanDerWaalsContact CE1-O 3.26Å; F80-N319 WeakPolarHBondContact CE1-O 3.03Å
81F92.2Very high77.6Confident40 Ų4069.4 Ų69.418%0.17538%0.38CS..EExtended strand (participates in β ladder)trans-155.9136.7-172.7178.1-107.6000110.2I56 R57 C58 Q83 L121 I125I56-F81 HydrophobicContact CG2-CD1 4.31Å; I56-F81 HydrophobicContact CG2-CE1 3.53Å; I56-F81 HydrophobicContact CG2-CZ 4.35Å; R57-F81 CarbonylContact C-O 3.56Å; R57-F81 WeakPolarHBondContact CA-O 3.34Å; C58-F81 HydrophobicContact CB-CB 3.94Å; C58-F81 PolarHBondContact N-O 3.11Å; F81-Q83 HydrophobicContact CE1-CB 4.01Å; F81-Q83 HydrophobicContact CE2-CB 4.32Å; F81-Q83 HydrophobicContact CZ-CB 3.63Å; F81-L121 HydrophobicContact CD1-CD2 4.13Å; F81-L121 HydrophobicContact CE1-CD2 3.49Å; F81-L121 VanDerWaalsContact CE1-CD2 3.49Å; F81-L121 HydrophobicContact CZ-CD2 4.09Å; F81-I125 HydrophobicContact CB-CG2 4.02Å; F81-I125 HydrophobicContact CD1-CD1 4.45Å; F81-I125 HydrophobicContact CD2-CG2 4.38Å; F81-I125 HydrophobicContact CG-CD1 4.45Å; F81-I125 HydrophobicContact CG-CG2 4.37Å
82I94Very high78.7Confident70 Ų7075.3 Ų75.336%0.35940%0.402SS..EExtended strand (participates in β ladder)trans-143.1129.9170.5-176.5166.5000108.3R55 I56 E79R55-I82 HydrophobicContact CG-CD1 4.47Å; R55-I82 HydrophobicContact CG-CG1 4.16Å; I56-I82 WeakPolarHBondContact O-CA 3.23Å; E79-I82 HydrophobicContact CG-CB 4.4Å; E79-I82 VanDerWaalsContact OE1-CG2 3.23Å; E79-I82 WeakPolarHBondContact OE1-CG2 3.48Å
83Q94.2Very high79.8Confident60 Ų6076.2 Ų76.228%0.2840%0.397SS..EExtended strand (participates in β ladder)trans-136127.9171.3-173179.619.100108.7R55 I56 F81 F119R55-Q83 CarbonylContact C-O 3.59Å; R55-Q83 VanDerWaalsContact CA-O 3.26Å; R55-Q83 WeakPolarHBondContact CA-O 3.47Å; I56-Q83 HydrophobicContact CG2-CB 3.82Å; I56-Q83 PolarHBondContact N-O 2.61Å; I56-Q83 PolarHBondContact O-N 2.78Å; F81-Q83 HydrophobicContact CE1-CB 4.01Å; F81-Q83 HydrophobicContact CE2-CB 4.32Å; F81-Q83 HydrophobicContact CZ-CB 3.63Å; Q83-F119 HydrophobicContact CB-CD1 4.23Å; Q83-F119 HydrophobicContact CB-CE1 4.39Å; Q83-F119 HydrophobicContact CG-CD1 4.02Å; Q83-F119 HydrophobicContact CG-CE1 4.14Å
84T93Very high80.9Confident69 Ų6976.4 Ų76.442%0.42338%0.38SS..EExtended strand (participates in β ladder)trans-120.6133.3-179.3-56.20000109.2F53 A54 R55F53-T84 HydrophobicContact CB-CG2 4.04Å; F53-T84 HydrophobicContact CD1-CG2 4Å; F53-T84 HydrophobicContact CG-CG2 4.37Å; A54-T84 CarbonylContact O-C 3.57Å; A54-T84 WeakPolarHBondContact O-CA 3.43Å; R55-T84 HydrophobicContact CB-CG2 4.42Å; R55-T84 WeakPolarHBondContact CD-OG1 3.47Å
85K90.3Very high82.1Confident78 Ų7876.1 Ų76.134%0.33938%0.376SS..EExtended strand (participates in β ladder)trans-126.2133.6175-69.8-174174.8-173.90109.2F53 A54 I87 H118 F119F53-K85 CarbonylContact C-O 3.58Å; F53-K85 WeakPolarHBondContact CA-O 3.42Å; A54-K85 PolarHBondContact N-O 3.44Å; A54-K85 PolarHBondContact O-N 2.76Å; K85-I87 PolarHBondContact O-N 2.96Å; K85-H118 WeakPolarHBondContact CE-O 3.26Å; K85-H118 PolarHBondContact NZ-O 2.9Å; K85-F119 HydrophobicContact CB-CE1 4.28Å; K85-F119 HydrophobicContact CB-CZ 4.2Å; K85-F119 HydrophobicContact CD-CD1 4.36Å; K85-F119 HydrophobicContact CD-CE1 3.96Å; K85-F119 HydrophobicContact CD-CZ 4.26Å; K85-F119 HydrophobicContact CG-CE1 3.85Å; K85-F119 HydrophobicContact CG-CZ 4.23Å
86Q90.5Very high82.9Confident77 Ų7778.6 Ų78.636%0.3638%0.381SS..EExtended strand (participates in β ladder)trans-75.5122.7167.8-170.1-174.5-79.200108F53 Y88 P89F53-Q86 HydrophobicContact CD1-CB 3.84Å; F53-Q86 HydrophobicContact CD1-CG 4.2Å; F53-Q86 HydrophobicContact CE1-CB 3.68Å; F53-Q86 HydrophobicContact CE1-CG 3.85Å; F53-Q86 HydrophobicContact CZ-CG 4.25Å; Q86-Y88 WeakPolarHBondContact CG-O 3.36Å; Q86-P89 PolarHBondContact NE2-O 2.86Å
87I90.1Very high83Confident11 Ų1183.3 Ų83.36%0.05640%0.404CS..EExtended strand (participates in β ladder)trans-107.9-13.3179.562167.5000112.4A40 V52 A54 K85 I90 L115 F117A40-I87 HydrophobicContact CB-CD1 3.71Å; V52-I87 HydrophobicContact CB-CD1 4.49Å; V52-I87 HydrophobicContact CB-CG1 3.94Å; V52-I87 HydrophobicContact CG1-CD1 3.78Å; V52-I87 HydrophobicContact CG1-CG1 3.72Å; V52-I87 WeakPolarHBondContact O-CG1 3.43Å; V52-I87 PolarHBondContact O-N 2.89Å; A54-I87 HydrophobicContact CB-CD1 4.23Å; A54-I87 HydrophobicContact CB-CG2 3.75Å; K85-I87 PolarHBondContact O-N 2.96Å; I87-I90 WeakPolarHBondContact O-CG1 3.36Å; I87-L115 HydrophobicContact CB-CB 4.38Å; I87-L115 HydrophobicContact CD1-CB 4.08Å; I87-L115 HydrophobicContact CD1-CD1 4.22Å; I87-L115 HydrophobicContact CG1-CB 4.41Å; I87-L115 HydrophobicContact CG1-CD1 4.3Å; I87-F117 HydrophobicContact CG2-CB 3.96Å
88Y88.2Confident83.3Confident32 Ų3287 Ų8713%0.12542%0.422CS..EExtended strand (participates in β ladder)trans-145.6135.8169.5-179.1-98.3000111.4I42 K44 S50 K51 V52 Q86 L115I42-Y88 HydrophobicContact CD1-CD1 3.86Å; I42-Y88 HydrophobicContact CD1-CD2 3.84Å; I42-Y88 HydrophobicContact CD1-CE1 4.13Å; I42-Y88 HydrophobicContact CD1-CE2 4.1Å; I42-Y88 HydrophobicContact CD1-CG 3.71Å; K44-Y88 HydrophobicContact CD-CE2 4.34Å; K44-Y88 HydrophobicContact CG-CE2 4.09Å; S50-Y88 WeakPolarHBondContact O-CD1 3.38Å; S50-Y88 WeakPolarHBondContact O-CE1 3.1Å; K51-Y88 CarbonylContact C-O 3.58Å; K51-Y88 VanDerWaalsContact CA-O 3.26Å; K51-Y88 WeakPolarHBondContact CA-O 3.48Å; V52-Y88 HydrophobicContact CG2-CD1 4.2Å; V52-Y88 HydrophobicContact CG2-CG 4.4Å; V52-Y88 PolarHBondContact N-O 3.46Å; V52-Y88 PolarHBondContact O-N 2.79Å; Q86-Y88 WeakPolarHBondContact CG-O 3.36Å; Y88-L115 HydrophobicContact CD2-CD2 3.89Å; Y88-L115 HydrophobicContact CG-CD1 4.35Å; Y88-L115 HydrophobicContact CG-CD2 4.4Å
89P86.4Confident83.4Confident66 Ų6684.7 Ų84.743%0.42941%0.411SS..SBendcis-59.7145.4-9.526.9-34.3000111.2Q86Q86-P89 PolarHBondContact NE2-O 2.86Å
90I82.6Confident83.3Confident67 Ų6782.7 Ų82.734%0.34441%0.405SS..PPolyproline II helixtrans-65.2131.9177.9-61.7177.7000107.4I87 I94 L115I87-I90 WeakPolarHBondContact O-CG1 3.36Å; I90-I94 HydrophobicContact CG2-CD1 3.82Å; I90-L115 HydrophobicContact CD1-CD2 3.83Å; I90-L115 HydrophobicContact CG1-CD2 3.86Å
91D77.9Confident83.2Confident101 Ų10185.8 Ų85.854%0.5442%0.42SS..PPolyproline II helixtrans-69.4134.1176-163.9-10000109.7N93 I94D91-N93 PolarHBondContact O-N 2.85Å; D91-N93 VanDerWaalsContact O-N 3.16Å; D91-I94 HydrophobicContact CB-CD1 4.14Å; D91-I94 HydrophobicContact CB-CG1 4.15Å; D91-I94 WeakPolarHBondContact O-CG1 3.44Å; D91-I94 PolarHBondContact O-N 3.46Å
92K70.2Confident83Confident202 Ų20284.3 Ų84.388%0.87841%0.414SS*.THydrogen-bonded Turntrans-67.6-16.5-174.3-67.8-173.1178.9-175.80113
93N69.1Low82.8Confident146 Ų14681 Ų8178%0.78140%0.398SS*.THydrogen-bonded Turntrans-91.58.9-177.9-64.8-20.9000113.7D91 D95D91-N93 PolarHBondContact O-N 2.85Å; D91-N93 VanDerWaalsContact O-N 3.16Å; N93-D95 PolarHBondContact O-N 2.8Å
94I70.3Confident82.6Confident76 Ų7681.5 Ų81.539%0.3940%0.399SS..  trans-75.7120.7178.5-63.1171.7000109.2I90 D91 E96 Y99I90-I94 HydrophobicContact CG2-CD1 3.82Å; D91-I94 HydrophobicContact CB-CD1 4.14Å; D91-I94 HydrophobicContact CB-CG1 4.15Å; D91-I94 WeakPolarHBondContact O-CG1 3.44Å; D91-I94 PolarHBondContact O-N 3.46Å; I94-E96 PolarHBondContact O-N 2.83Å; I94-Y99 HydrophobicContact CG2-CE1 4.11Å; I94-Y99 VanDerWaalsContact CG2-OH 3.27Å; I94-Y99 WeakPolarHBondContact CG2-OH 3.23Å
95D73.4Confident82.4Confident73 Ų7381.2 Ų81.239%0.3939%0.39SS..  trans-73.8101.8175.2-175.21.9000110.1N93 E97 K98N93-D95 PolarHBondContact O-N 2.8Å; D95-E97 PolarHBondContact O-N 3.05Å; D95-E97 WeakPolarHBondContact OD1-CB 3.5Å; D95-E97 PolarHBondContact OD1-N 2.8Å; D95-K98 HydrophobicContact CB-CD 4.16Å; D95-K98 HydrophobicContact CB-CG 4.24Å; D95-K98 WeakPolarHBondContact O-CB 3.15Å; D95-K98 PolarHBondContact O-N 2.96Å; D95-K98 VanDerWaalsContact O-N 3.12Å; D95-K98 VanDerWaalsContact OD2-CE 3.32Å; D95-K98 WeakPolarHBondContact OD2-CE 3.34Å
96E70.3Confident82.4Confident142 Ų14277.5 Ų77.566%0.66437%0.374SS*.G310 helixtrans-61.9-20.6-178.8-59-167.4156.200112.8I94 K98 Y99I94-E96 PolarHBondContact O-N 2.83Å; E96-K98 PolarHBondContact O-N 2.84Å; E96-Y99 HydrophobicContact CB-CD2 3.99Å; E96-Y99 HydrophobicContact CB-CE2 3.76Å; E96-Y99 HydrophobicContact CG-CD2 4.5Å; E96-Y99 HydrophobicContact CG-CE2 3.78Å; E96-Y99 VanDerWaalsContact O-CD2 3.25Å; E96-Y99 WeakPolarHBondContact O-CD2 3.33Å; E96-Y99 PolarHBondContact O-N 2.94Å
97E70.2Confident82.4Confident165 Ų16576 Ų7677%0.77137%0.368SS*.G310 helixtrans-64.7-20.4176.7-60.8-169.9165.900112.3D95 Y99D95-E97 PolarHBondContact O-N 3.05Å; D95-E97 WeakPolarHBondContact OD1-CB 3.5Å; D95-E97 PolarHBondContact OD1-N 2.8Å; E97-Y99 VanDerWaalsContact C-N 3.31Å; E97-Y99 PolarHBondContact O-N 2.94Å
98K82.4Confident82.4Confident161 Ų16181.1 Ų81.170%0.739%0.391SS*.G310 helixtrans-80.9-7.5178.5-64-177.3-178.6170.40114.1D95 E96D95-K98 HydrophobicContact CB-CD 4.16Å; D95-K98 HydrophobicContact CB-CG 4.24Å; D95-K98 WeakPolarHBondContact O-CB 3.15Å; D95-K98 PolarHBondContact O-N 2.96Å; D95-K98 VanDerWaalsContact O-N 3.12Å; D95-K98 VanDerWaalsContact OD2-CE 3.32Å; D95-K98 WeakPolarHBondContact OD2-CE 3.34Å; E96-K98 PolarHBondContact O-N 2.84Å
99Y87.5Confident82.5Confident31 Ų3184.8 Ų84.812%0.12241%0.405CS..SBendtrans-69.2138177.4-63.1-35.9000111.1I94 E96 E97 K104 I107 P116I94-Y99 HydrophobicContact CG2-CE1 4.11Å; I94-Y99 VanDerWaalsContact CG2-OH 3.27Å; I94-Y99 WeakPolarHBondContact CG2-OH 3.23Å; E96-Y99 HydrophobicContact CB-CD2 3.99Å; E96-Y99 HydrophobicContact CB-CE2 3.76Å; E96-Y99 HydrophobicContact CG-CD2 4.5Å; E96-Y99 HydrophobicContact CG-CE2 3.78Å; E96-Y99 VanDerWaalsContact O-CD2 3.25Å; E96-Y99 WeakPolarHBondContact O-CD2 3.33Å; E96-Y99 PolarHBondContact O-N 2.94Å; E97-Y99 VanDerWaalsContact C-N 3.31Å; E97-Y99 PolarHBondContact O-N 2.94Å; Y99-K104 VanDerWaalsContact O-CE 3.28Å; Y99-K104 WeakPolarHBondContact O-CE 3.43Å; Y99-I107 HydrophobicContact CD2-CD1 3.71Å; Y99-I107 HydrophobicContact CE2-CD1 3.87Å; Y99-I107 HydrophobicContact CG-CD1 4.31Å; Y99-P116 HydrophobicContact CD1-CB 4.06Å; Y99-P116 HydrophobicContact CD1-CG 4.25Å; Y99-P116 HydrophobicContact CE1-CB 3.68Å; Y99-P116 HydrophobicContact CE1-CG 3.46Å; Y99-P116 VanDerWaalsContact CE1-CG 3.46Å; Y99-P116 HydrophobicContact CE2-CG 4.03Å; Y99-P116 VanDerWaalsContact OH-CG 3.3Å; Y99-P116 WeakPolarHBondContact OH-CG 3.4Å
100S87.9Confident82.7Confident29 Ų2984 Ų8420%0.20340%0.395CS..  trans-66.7154.617267.10000110.7E37 V102 Q103 K104E37-S100 WeakPolarHBondContact OE2-CB 3.15Å; E37-S100 PolarHBondContact OE2-OG 3.01Å; S100-V102 PolarHBondContact O-N 3.03Å; S100-V102 VanDerWaalsContact O-N 3.11Å; S100-Q103 WeakPolarHBondContact O-CA 3.25Å; S100-Q103 WeakPolarHBondContact O-CB 3.42Å; S100-Q103 PolarHBondContact O-N 3.3Å; S100-Q103 WeakPolarHBondContact OG-CG 2.98Å; S100-K104 PolarHBondContact O-N 3.18Å
101E87Confident83Confident106 Ų10682.5 Ų82.550%0.49540%0.396SS..Hα-helixtrans-53.1-37.6-179.5-67.8-56.9122.700112.3K104 R105E101-K104 PolarHBondContact O-N 2.85Å; E101-K104 IonicContact OE1-NZ 2.83Å; E101-K104 PolarHBondContact OE1-NZ 2.76Å; E101-R105 WeakPolarHBondContact O-CG 3.49Å; E101-R105 PolarHBondContact O-N 2.88Å
102V87.3Confident83.4Confident9 Ų984.1 Ų84.16%0.05541%0.405CS..Hα-helixtrans-67.4-38.7176.9-177.40000111.7I7 I22 S100 R105 L106 L367I7-V102 HydrophobicContact CD1-CG1 3.64Å; I7-V102 HydrophobicContact CG1-CG1 4.32Å; I22-V102 HydrophobicContact CD1-CB 3.67Å; I22-V102 HydrophobicContact CD1-CG1 3.66Å; I22-V102 HydrophobicContact CG1-CB 4.31Å; I22-V102 HydrophobicContact CG1-CG1 3.77Å; S100-V102 PolarHBondContact O-N 3.03Å; S100-V102 VanDerWaalsContact O-N 3.11Å; V102-R105 PolarHBondContact O-N 3.41Å; V102-L106 HydrophobicContact CG1-CD1 4.19Å; V102-L106 VanDerWaalsContact O-CG 3.26Å; V102-L106 WeakPolarHBondContact O-CG 3.41Å; V102-L106 PolarHBondContact O-N 3.18Å; V102-L367 HydrophobicContact CG1-CD2 4.3Å
103Q90.8Very high84.3Confident1 Ų177.8 Ų77.81%0.00538%0.38CS..Hα-helixtrans-63.8-43.3173.9-72.1-179.6-50.700111.3I22 G38 S100 R105 L106 I107 F117I22-Q103 HydrophobicContact CD1-CG 4.08Å; G38-Q103 PolarHBondContact O-NE2 3.19Å; S100-Q103 WeakPolarHBondContact O-CA 3.25Å; S100-Q103 WeakPolarHBondContact O-CB 3.42Å; S100-Q103 PolarHBondContact O-N 3.3Å; S100-Q103 WeakPolarHBondContact OG-CG 2.98Å; Q103-R105 PolarHBondContact O-N 2.84Å; Q103-L106 PolarHBondContact O-N 2.91Å; Q103-L106 VanDerWaalsContact O-N 3.14Å; Q103-I107 VanDerWaalsContact O-CG1 3.25Å; Q103-I107 WeakPolarHBondContact O-CG1 3.25Å; Q103-I107 PolarHBondContact O-N 3.23Å; Q103-F117 PolarHBondContact NE2-O 3.49Å
104K90.2Very high85.4Confident70 Ų7071.1 Ų71.130%0.30435%0.346SS..Hα-helixtrans-56.5-48.2175.2-64.2176.9-173.3165.40111.3Y99 S100 E101 L106 I107 E108Y99-K104 VanDerWaalsContact O-CE 3.28Å; Y99-K104 WeakPolarHBondContact O-CE 3.43Å; S100-K104 PolarHBondContact O-N 3.18Å; E101-K104 PolarHBondContact O-N 2.85Å; E101-K104 IonicContact OE1-NZ 2.83Å; E101-K104 PolarHBondContact OE1-NZ 2.76Å; K104-L106 VanDerWaalsContact C-N 3.33Å; K104-L106 PolarHBondContact O-N 2.92Å; K104-I107 WeakPolarHBondContact O-CB 3.33Å; K104-I107 PolarHBondContact O-N 3.49Å; K104-I107 VanDerWaalsContact O-N 3.12Å; K104-E108 WeakPolarHBondContact O-CG 3.47Å; K104-E108 PolarHBondContact O-N 2.77Å
105R87.7Confident86.4Confident62 Ų6267.5 Ų67.523%0.23433%0.327CS..Hα-helixtrans-61-37.6175.5-64.8-48.9-175.6-167.8-5.5113.7E101 V102 Q103 E108 R109 A361 E362 L367E101-R105 WeakPolarHBondContact O-CG 3.49Å; E101-R105 PolarHBondContact O-N 2.88Å; V102-R105 PolarHBondContact O-N 3.41Å; Q103-R105 PolarHBondContact O-N 2.84Å; R105-E108 WeakPolarHBondContact CD-OE2 3.3Å; R105-E108 IonicContact CZ-OE2 2.69Å; R105-E108 IonicContact NE-OE2 2.69Å; R105-E108 IonicContact NH1-OE1 3.9Å; R105-E108 PolarHBondContact NH1-OE1 3.36Å; R105-E108 IonicContact NH1-OE2 3.37Å; R105-E108 PolarHBondContact NH1-OE2 3.4Å; R105-R109 WeakPolarHBondContact O-CB 3.48Å; R105-R109 PolarHBondContact O-N 3.09Å; R105-A361 PolarHBondContact NE-O 2.92Å; R105-E362 VanDerWaalsContact CZ-O 3.22Å; R105-E362 PolarHBondContact NH2-O 2.72Å; R105-L367 HydrophobicContact CB-CD1 3.79Å
106L90.3Very high87.4Confident0 Ų064.9 Ų64.90%031%0.314CS..Hα-helixtrans-68.7-38.9175.2-71.5167.5000111.3I7 I39 V102 Q103 K104 R109 F110 L367I7-L106 HydrophobicContact CD1-CD1 3.97Å; I7-L106 HydrophobicContact CD1-CD2 3.78Å; I7-L106 HydrophobicContact CD1-CG 4.05Å; I39-L106 HydrophobicContact CD1-CB 3.74Å; I39-L106 HydrophobicContact CG1-CB 3.93Å; I39-L106 HydrophobicContact CG1-CD1 4.02Å; I39-L106 HydrophobicContact CG1-CG 4.42Å; I39-L106 HydrophobicContact CG2-CB 3.93Å; I39-L106 HydrophobicContact CG2-CD1 4.15Å; V102-L106 HydrophobicContact CG1-CD1 4.19Å; V102-L106 VanDerWaalsContact O-CG 3.26Å; V102-L106 WeakPolarHBondContact O-CG 3.41Å; V102-L106 PolarHBondContact O-N 3.18Å; Q103-L106 PolarHBondContact O-N 2.91Å; Q103-L106 VanDerWaalsContact O-N 3.14Å; K104-L106 VanDerWaalsContact C-N 3.33Å; K104-L106 PolarHBondContact O-N 2.92Å; L106-R109 PolarHBondContact O-N 3.24Å; L106-F110 HydrophobicContact CD2-CD2 4.45Å; L106-F110 HydrophobicContact CD2-CE2 3.92Å; L106-F110 WeakPolarHBondContact O-CD2 3.49Å; L106-F110 PolarHBondContact O-N 3.18Å; L106-L367 HydrophobicContact CD2-CD1 4.02Å; L106-L367 HydrophobicContact CG-CD1 4.13Å
107I90.8Very high88.4Confident47 Ų4758.5 Ų58.524%0.24128%0.284CS..Hα-helixtrans-64.6-46.2175-66.4161.1000110Y99 Q103 K104 R109 F110 G111 A114 P116Y99-I107 HydrophobicContact CD2-CD1 3.71Å; Y99-I107 HydrophobicContact CE2-CD1 3.87Å; Y99-I107 HydrophobicContact CG-CD1 4.31Å; Q103-I107 VanDerWaalsContact O-CG1 3.25Å; Q103-I107 WeakPolarHBondContact O-CG1 3.25Å; Q103-I107 PolarHBondContact O-N 3.23Å; K104-I107 WeakPolarHBondContact O-CB 3.33Å; K104-I107 PolarHBondContact O-N 3.49Å; K104-I107 VanDerWaalsContact O-N 3.12Å; I107-R109 PolarHBondContact O-N 2.96Å; I107-F110 PolarHBondContact O-N 2.75Å; I107-G111 VanDerWaalsContact O-CA 3.26Å; I107-G111 WeakPolarHBondContact O-CA 3.22Å; I107-G111 PolarHBondContact O-N 3.03Å; I107-A114 HydrophobicContact CB-CB 4.39Å; I107-A114 HydrophobicContact CG1-CB 4Å; I107-P116 HydrophobicContact CD1-CB 4.28Å; I107-P116 HydrophobicContact CD1-CG 4.11Å
108E89.8Confident89.5Confident118 Ų11853.7 Ų53.755%0.55126%0.262SS*.Hα-helixtrans-54.1-42.2172.9-72.4170-17700111.5K104 R105K104-E108 WeakPolarHBondContact O-CG 3.47Å; K104-E108 PolarHBondContact O-N 2.77Å; R105-E108 WeakPolarHBondContact CD-OE2 3.3Å; R105-E108 IonicContact CZ-OE2 2.69Å; R105-E108 IonicContact NE-OE2 2.69Å; R105-E108 IonicContact NH1-OE1 3.9Å; R105-E108 PolarHBondContact NH1-OE1 3.36Å; R105-E108 IonicContact NH1-OE2 3.37Å; R105-E108 PolarHBondContact NH1-OE2 3.4Å
109R90.2Very high90Very high108 Ų10846 Ų4641%0.40823%0.228SC..Hα-helixtrans-71.6-36.8-178.2-175.7173.2-176161.15.4114.4R105 L106 I107R105-R109 WeakPolarHBondContact O-CB 3.48Å; R105-R109 PolarHBondContact O-N 3.09Å; L106-R109 PolarHBondContact O-N 3.24Å; I107-R109 PolarHBondContact O-N 2.96Å
110F90.2Very high90.3Very high50 Ų5048.5 Ų48.522%0.21925%0.247CC..Hα-helixtrans-108.8-5-173.3-65.1-70.8000113.9Y20 I39 T41 L106 I107 N113 A114 I369Y20-F110 HydrophobicContact CD2-CE2 4.24Å; Y20-F110 HydrophobicContact CD2-CZ 4.46Å; Y20-F110 HydrophobicContact CE1-CE2 4.24Å; Y20-F110 AromaticContact CE1-CZ 3.82Å; Y20-F110 HydrophobicContact CE1-CZ 3.82Å; Y20-F110 HydrophobicContact CE2-CE1 4.28Å; Y20-F110 AromaticContact CE2-CE2 3.93Å; Y20-F110 HydrophobicContact CE2-CE2 3.93Å; Y20-F110 AromaticContact CE2-CZ 3.74Å; Y20-F110 HydrophobicContact CE2-CZ 3.74Å; Y20-F110 AromaticContact CZ-CE2 3.94Å; Y20-F110 AromaticContact CZ-CZ 3.37Å; Y20-F110 WeakPolarHBondContact OH-CZ 3.37Å; I39-F110 HydrophobicContact CD1-CB 4.37Å; I39-F110 HydrophobicContact CD1-CD2 3.42Å; I39-F110 VanDerWaalsContact CD1-CD2 3.42Å; I39-F110 HydrophobicContact CD1-CE2 4.02Å; I39-F110 HydrophobicContact CD1-CG 4.19Å; T41-F110 HydrophobicContact CG2-CB 3.89Å; T41-F110 HydrophobicContact CG2-CD1 3.94Å; T41-F110 HydrophobicContact CG2-CD2 3.99Å; T41-F110 HydrophobicContact CG2-CE1 4.48Å; T41-F110 HydrophobicContact CG2-CG 3.67Å; L106-F110 HydrophobicContact CD2-CD2 4.45Å; L106-F110 HydrophobicContact CD2-CE2 3.92Å; L106-F110 WeakPolarHBondContact O-CD2 3.49Å; L106-F110 PolarHBondContact O-N 3.18Å; I107-F110 PolarHBondContact O-N 2.75Å; F110-N113 PolarHBondContact O-N 2.8Å; F110-A114 HydrophobicContact CB-CB 4.11Å; F110-I369 HydrophobicContact CZ-CD1 4.44Å
111G89.2Confident90.6Very high36 Ų3647.6 Ų47.637%0.37124%0.24SC..G310 helixtrans55.7-142.6179.600000112.7I107 N113 A114I107-G111 VanDerWaalsContact O-CA 3.26Å; I107-G111 WeakPolarHBondContact O-CA 3.22Å; I107-G111 PolarHBondContact O-N 3.03Å; G111-N113 PolarHBondContact O-N 2.79Å; G111-A114 WeakPolarHBondContact O-CB 3.29Å; G111-A114 PolarHBondContact O-N 3.21Å
112D87Confident90.8Very high134 Ų13445.7 Ų45.772%0.71724%0.235SC*.G310 helixtrans-55.7-23.1-178.1-69-16000113.9K44 A114K44-D112 WeakPolarHBondContact CE-O 3.44Å; K44-D112 PolarHBondContact NZ-O 3.05Å; D112-A114 PolarHBondContact O-N 2.96Å
113N89.5Confident90.9Very high69 Ų6947.4 Ų47.437%0.36924%0.243SC..G310 helixtrans-76.3-10.6-179.2-67.7-41.5000113.1T41 I42 F110 G111T41-N113 WeakPolarHBondContact CA-O 3.37Å; I42-N113 PolarHBondContact N-O 2.65Å; I42-N113 VanDerWaalsContact O-CB 3.31Å; I42-N113 WeakPolarHBondContact O-CB 3.18Å; I42-N113 PolarHBondContact O-OD1 3.28Å; F110-N113 PolarHBondContact O-N 2.8Å; G111-N113 PolarHBondContact O-N 2.79Å
114A91.9Very high90.9Very high6 Ų649.7 Ų49.75%0.0526%0.255CS..EExtended strand (participates in β ladder)trans-76.4129.6177.100000111.9I39 I107 F110 G111 D112I39-A114 HydrophobicContact CD1-CB 3.82Å; I107-A114 HydrophobicContact CB-CB 4.39Å; I107-A114 HydrophobicContact CG1-CB 4Å; F110-A114 HydrophobicContact CB-CB 4.11Å; G111-A114 WeakPolarHBondContact O-CB 3.29Å; G111-A114 PolarHBondContact O-N 3.21Å; D112-A114 PolarHBondContact O-N 2.96Å
115L91.7Very high90.9Very high0 Ų046.9 Ų46.90%024%0.243CC..EExtended strand (participates in β ladder)trans-120.693.6177.7-52.7176.6000108.3I39 A40 I42 V52 I87 Y88 I90I39-L115 CarbonylContact C-O 3.58Å; I39-L115 WeakPolarHBondContact CA-O 3.26Å; A40-L115 HydrophobicContact CB-CB 4.35Å; A40-L115 PolarHBondContact N-O 3.22Å; A40-L115 WeakPolarHBondContact O-CA 3.44Å; A40-L115 WeakPolarHBondContact O-CB 3.5Å; A40-L115 PolarHBondContact O-N 3.45Å; I42-L115 HydrophobicContact CB-CD1 4.44Å; I42-L115 HydrophobicContact CD1-CD1 3.74Å; I42-L115 HydrophobicContact CG1-CD1 3.7Å; I42-L115 HydrophobicContact CG1-CG 4.23Å; I42-L115 HydrophobicContact CG2-CD1 3.96Å; V52-L115 HydrophobicContact CG2-CD1 4.42Å; I87-L115 HydrophobicContact CB-CB 4.38Å; I87-L115 HydrophobicContact CD1-CB 4.08Å; I87-L115 HydrophobicContact CD1-CD1 4.22Å; I87-L115 HydrophobicContact CG1-CB 4.41Å; I87-L115 HydrophobicContact CG1-CD1 4.3Å; Y88-L115 HydrophobicContact CD2-CD2 3.89Å; Y88-L115 HydrophobicContact CG-CD1 4.35Å; Y88-L115 HydrophobicContact CG-CD2 4.4Å; I90-L115 HydrophobicContact CD1-CD2 3.83Å; I90-L115 HydrophobicContact CG1-CD2 3.86Å
116P92.9Very high91.2Very high19 Ų1944 Ų4412%0.12323%0.232CC..EExtended strand (participates in β ladder)trans-67.7148.4-179.127-32.7000111.9I39 Y99 I107I39-P116 HydrophobicContact CG2-CB 4.25Å; Y99-P116 HydrophobicContact CD1-CB 4.06Å; Y99-P116 HydrophobicContact CD1-CG 4.25Å; Y99-P116 HydrophobicContact CE1-CB 3.68Å; Y99-P116 HydrophobicContact CE1-CG 3.46Å; Y99-P116 VanDerWaalsContact CE1-CG 3.46Å; Y99-P116 HydrophobicContact CE2-CG 4.03Å; Y99-P116 VanDerWaalsContact OH-CG 3.3Å; Y99-P116 WeakPolarHBondContact OH-CG 3.4Å; I107-P116 HydrophobicContact CD1-CB 4.28Å; I107-P116 HydrophobicContact CD1-CG 4.11Å
117F92.6Very high91.4Very high7 Ų744.6 Ų44.63%0.03124%0.237CC..EExtended strand (participates in β ladder)trans-141.4147.9172.662.9-96.5000111.1V19 L21 G38 A54 I87 Q103 F119 Y150V19-F117 HydrophobicContact CG1-CE1 3.99Å; V19-F117 HydrophobicContact CG1-CZ 3.95Å; L21-F117 HydrophobicContact CD1-CE2 3.84Å; L21-F117 HydrophobicContact CD1-CZ 3.89Å; G38-F117 VanDerWaalsContact C-CE1 3.47Å; G38-F117 PolarHBondContact N-O 2.81Å; G38-F117 PolarHBondContact O-N 3.25Å; A54-F117 HydrophobicContact CB-CB 4.25Å; A54-F117 HydrophobicContact CB-CG 4.46Å; I87-F117 HydrophobicContact CG2-CB 3.96Å; Q103-F117 PolarHBondContact NE2-O 3.49Å; F117-F119 HydrophobicContact CB-CE2 4.22Å; F117-F119 HydrophobicContact CD2-CD2 4.08Å; F117-F119 AromaticContact CD2-CE2 3.84Å; F117-F119 HydrophobicContact CD2-CE2 3.84Å; F117-F119 HydrophobicContact CG-CE2 4.36Å; F117-Y150 HydrophobicContact CD1-CE2 4.19Å; F117-Y150 VanDerWaalsContact CD1-OH 3.23Å; F117-Y150 WeakPolarHBondContact CD1-OH 3.44Å; F117-Y150 HydrophobicContact CD2-CD2 4.38Å; F117-Y150 AromaticContact CD2-CE2 3.54Å; F117-Y150 HydrophobicContact CD2-CE2 3.54Å; F117-Y150 AromaticContact CE1-CE2 3.97Å; F117-Y150 HydrophobicContact CE1-CE2 3.97Å; F117-Y150 AromaticContact CE1-CZ 3.64Å; F117-Y150 WeakPolarHBondContact CE1-OH 3.3Å; F117-Y150 AromaticContact CE2-CD2 3.93Å; F117-Y150 HydrophobicContact CE2-CD2 3.93Å; F117-Y150 AromaticContact CE2-CE2 3.29Å; F117-Y150 HydrophobicContact CE2-CE2 3.29Å; F117-Y150 AromaticContact CE2-CZ 3.83Å; F117-Y150 AromaticContact CG-CE2 3.99Å; F117-Y150 HydrophobicContact CG-CE2 3.99Å; F117-Y150 HydrophobicContact CZ-CD2 4.31Å; F117-Y150 HydrophobicContact CZ-CE1 4.32Å; F117-Y150 AromaticContact CZ-CE2 3.52Å; F117-Y150 HydrophobicContact CZ-CE2 3.52Å; F117-Y150 AromaticContact CZ-CZ 3.52Å; F117-Y150 WeakPolarHBondContact CZ-OH 3.26Å
118H92.4Very high91.6Very high64 Ų6442.7 Ų42.730%0.29623%0.228SC..EExtended strand (participates in β ladder)trans-141.8132.5179.4173.2100000109P35 I36 E37 K85 T120P35-H118 WeakPolarHBondContact CB-CE1 3.47Å; I36-H118 CarbonylContact O-C 3.6Å; I36-H118 WeakPolarHBondContact O-CA 3.28Å; E37-H118 IonicContact OE1-CE1 2.79Å; E37-H118 PolarHBondContact OE1-CE1 2.98Å; E37-H118 IonicContact OE1-ND1 3.46Å; E37-H118 PolarHBondContact OE1-ND1 3.32Å; K85-H118 WeakPolarHBondContact CE-O 3.26Å; K85-H118 PolarHBondContact NZ-O 2.9Å; H118-T120 PolarHBondContact NE2-OG1 2.74Å
119F94.2Very high91.8Very high0 Ų037.2 Ų37.20%020%0.203CC..EExtended strand (participates in β ladder)trans-129135170.7-58.2-96.8000110I36 A54 I56 Q83 K85 F117 Y150I36-F119 HydrophobicContact CB-CB 4.18Å; I36-F119 HydrophobicContact CD1-CB 4.44Å; I36-F119 PolarHBondContact N-O 2.76Å; I36-F119 PolarHBondContact O-N 2.93Å; A54-F119 HydrophobicContact CB-CE2 3.96Å; A54-F119 HydrophobicContact CB-CZ 3.76Å; I56-F119 HydrophobicContact CB-CD1 4.35Å; I56-F119 HydrophobicContact CB-CG 4.45Å; I56-F119 HydrophobicContact CG2-CB 4.3Å; I56-F119 HydrophobicContact CG2-CD1 3.56Å; I56-F119 HydrophobicContact CG2-CE1 4.02Å; I56-F119 HydrophobicContact CG2-CG 3.97Å; Q83-F119 HydrophobicContact CB-CD1 4.23Å; Q83-F119 HydrophobicContact CB-CE1 4.39Å; Q83-F119 HydrophobicContact CG-CD1 4.02Å; Q83-F119 HydrophobicContact CG-CE1 4.14Å; K85-F119 HydrophobicContact CB-CE1 4.28Å; K85-F119 HydrophobicContact CB-CZ 4.2Å; K85-F119 HydrophobicContact CD-CD1 4.36Å; K85-F119 HydrophobicContact CD-CE1 3.96Å; K85-F119 HydrophobicContact CD-CZ 4.26Å; K85-F119 HydrophobicContact CG-CE1 3.85Å; K85-F119 HydrophobicContact CG-CZ 4.23Å; F117-F119 HydrophobicContact CB-CE2 4.22Å; F117-F119 HydrophobicContact CD2-CD2 4.08Å; F117-F119 AromaticContact CD2-CE2 3.84Å; F117-F119 HydrophobicContact CD2-CE2 3.84Å; F117-F119 HydrophobicContact CG-CE2 4.36Å; F119-Y150 HydrophobicContact CE2-CD2 4.3Å; F119-Y150 HydrophobicContact CE2-CE2 4.01Å
120T92.7Very high91.9Very high84 Ų8432.5 Ų32.552%0.51519%0.186SC..  trans-107.8124.9172.7-36.70000107.4H118H118-T120 PolarHBondContact NE2-OG1 2.74Å
121L93.6Very high91.8Very high9 Ų930.2 Ų30.25%0.04718%0.176CC..  trans-88.3166.4174.8-61.4-174.8000110.3I26 I33 I36 F81 I125 Y148I26-L121 HydrophobicContact CG2-CD1 4.42Å; I33-L121 HydrophobicContact CD1-CB 4.24Å; I33-L121 HydrophobicContact CG2-CB 4.18Å; I36-L121 HydrophobicContact CD1-CD1 3.94Å; I36-L121 HydrophobicContact CD1-CD2 4Å; I36-L121 HydrophobicContact CD1-CG 3.97Å; F81-L121 HydrophobicContact CD1-CD2 4.13Å; F81-L121 HydrophobicContact CE1-CD2 3.49Å; F81-L121 VanDerWaalsContact CE1-CD2 3.49Å; F81-L121 HydrophobicContact CZ-CD2 4.09Å; L121-I125 HydrophobicContact CB-CD1 3.86Å; L121-I125 HydrophobicContact CD1-CD1 4.17Å; L121-I125 HydrophobicContact CD2-CD1 3.96Å; L121-I125 HydrophobicContact CG-CD1 4.21Å; L121-Y148 HydrophobicContact CD1-CD1 4.31Å; L121-Y148 HydrophobicContact CD1-CE1 3.9Å; L121-Y148 HydrophobicContact CD2-CE1 4.43Å
122T91.4Very high91.4Very high66 Ų6631.3 Ų31.341%0.40517%0.172SC..  trans-106.916617360.20000110.8I33 D124 I125 R171I33-T122 WeakPolarHBondContact CD1-O 3.41Å; T122-D124 VanDerWaalsContact C-N 3.33Å; T122-D124 WeakPolarHBondContact CB-OD1 3.3Å; T122-D124 PolarHBondContact OG1-OD1 3.14Å; T122-I125 VanDerWaalsContact O-CG1 3.23Å; T122-I125 WeakPolarHBondContact O-CG1 3.32Å; T122-R171 PolarHBondContact O-NH2 3.47Å
123H90.9Very high90.7Very high46 Ų4628.9 Ų28.921%0.21316%0.157CC..THydrogen-bonded Turntrans-78.8-17.9180-55.2-74000113.3D28 L30 I33 R171 K312D28-H123 IonicContact OD1-CE1 3.72Å; D28-H123 PolarHBondContact OD1-CE1 3.44Å; D28-H123 IonicContact OD1-ND1 2.97Å; D28-H123 PolarHBondContact OD1-ND1 3.02Å; D28-H123 IonicContact OD2-CG 2.77Å; D28-H123 IonicContact OD2-ND1 3.42Å; D28-H123 PolarHBondContact OD2-ND1 3.03Å; L30-H123 HydrophobicContact CD2-CB 4.37Å; I33-H123 VanDerWaalsContact CG1-CE1 3.47Å; I33-H123 WeakPolarHBondContact CG1-CE1 3.2Å; H123-R171 PolarHBondContact O-NH2 3.46Å; H123-K312 HydrophobicContact CB-CD 4.48Å
124D89.5Confident89.4Confident49 Ų4928.7 Ų28.726%0.26216%0.156SC..THydrogen-bonded Turntrans-91.23.8-17264.4-24.9000115T122 K316 N319 M320T122-D124 VanDerWaalsContact C-N 3.33Å; T122-D124 WeakPolarHBondContact CB-OD1 3.3Å; T122-D124 PolarHBondContact OG1-OD1 3.14Å; D124-K316 HydrophobicContact CB-CD 3.73Å; D124-K316 IonicContact OD2-NZ 2.67Å; D124-K316 PolarHBondContact OD2-NZ 3.02Å; D124-N319 WeakPolarHBondContact O-CB 3.38Å; D124-M320 WeakPolarHBondContact O-CE 3.34Å
125I90.8Very high87.5Confident11 Ų1132.9 Ų32.96%0.05618%0.178CC..SBendtrans-90.7167.4167.160.2175.3000109.3F81 L121 T122 Y148 R171F81-I125 HydrophobicContact CB-CG2 4.02Å; F81-I125 HydrophobicContact CD1-CD1 4.45Å; F81-I125 HydrophobicContact CD2-CG2 4.38Å; F81-I125 HydrophobicContact CG-CD1 4.45Å; F81-I125 HydrophobicContact CG-CG2 4.37Å; L121-I125 HydrophobicContact CB-CD1 3.86Å; L121-I125 HydrophobicContact CD1-CD1 4.17Å; L121-I125 HydrophobicContact CD2-CD1 3.96Å; L121-I125 HydrophobicContact CG-CD1 4.21Å; T122-I125 VanDerWaalsContact O-CG1 3.23Å; T122-I125 WeakPolarHBondContact O-CG1 3.32Å; I125-Y148 HydrophobicContact CD1-CE1 3.9Å; I125-Y148 VanDerWaalsContact CD1-OH 3.23Å; I125-Y148 WeakPolarHBondContact CD1-OH 3.37Å; I125-Y148 WeakPolarHBondContact CG1-OH 3.35Å; I125-R171 PolarHBondContact O-NH1 3.2Å; I125-R171 PolarHBondContact O-NH2 3.42Å
126P93.9Very high85.4Confident0 Ų041.6 Ų41.60%022%0.215CC..PPolyproline II helixtrans-89.2156.2-172.335.2-40.6000114.8F80 I146 Y148 R171 M320F80-P126 HydrophobicContact CB-CG 4.21Å; F80-P126 HydrophobicContact CD1-CG 4.31Å; F80-P126 HydrophobicContact CD2-CG 3.63Å; F80-P126 HydrophobicContact CE2-CG 3.84Å; F80-P126 HydrophobicContact CG-CG 3.83Å; F80-P126 HydrophobicContact CZ-CG 4.32Å; P126-I146 HydrophobicContact CB-CD1 3.52Å; P126-I146 HydrophobicContact CB-CG2 4.18Å; P126-I146 HydrophobicContact CG-CD1 3.85Å; P126-I146 HydrophobicContact CG-CG2 3.69Å; P126-Y148 VanDerWaalsContact O-CE2 3.26Å; P126-Y148 WeakPolarHBondContact O-CE2 2.95Å; P126-Y148 PolarHBondContact O-OH 2.8Å; P126-R171 PolarHBondContact O-NH1 2.98Å; P126-M320 WeakPolarHBondContact CB-O 3.01Å
127A94.7Very high83Confident13 Ų1348.2 Ų48.211%0.10725%0.25CC..PPolyproline II helixtrans-72.7159173.500000111.3I129 I146A127-I129 HydrophobicContact CB-CD1 4.39Å; A127-I129 HydrophobicContact CB-CG1 4.4Å; A127-I129 PolarHBondContact O-N 3.36Å; A127-I146 WeakPolarHBondContact O-CB 3.5Å; A127-I146 VanDerWaalsContact O-CG2 3.3Å; A127-I146 WeakPolarHBondContact O-CG2 3.48Å
128S95.2Very high80.8Confident8 Ų849.9 Ų49.96%0.05626%0.262CS..  trans-70.9113.6170.9-72.50000110.1I146 Y148 R170 R171S128-I146 WeakPolarHBondContact CA-O 3.43Å; S128-Y148 WeakPolarHBondContact OG-CD2 3.48Å; S128-R170 WeakPolarHBondContact OG-CA 3.38Å; S128-R171 WeakPolarHBondContact CB-O 3.37Å; S128-R171 PolarHBondContact N-O 2.94Å; S128-R171 PolarHBondContact OG-N 2.74Å
129I94.3Very high78.6Confident3 Ų354.2 Ų54.22%0.01529%0.287CS..EExtended strand (participates in β ladder)trans-136.6130.6-177.9-63.4163.6000108A127 L131 G145 I146 A293 L294 A306 I322 V324A127-I129 HydrophobicContact CB-CD1 4.39Å; A127-I129 HydrophobicContact CB-CG1 4.4Å; A127-I129 PolarHBondContact O-N 3.36Å; I129-L131 HydrophobicContact CG2-CD2 4.3Å; I129-G145 CarbonylContact O-C 3.51Å; I129-G145 WeakPolarHBondContact O-CA 3.39Å; I129-I146 PolarHBondContact N-O 3.15Å; I129-I146 PolarHBondContact O-N 3.06Å; I129-A293 HydrophobicContact CG2-CB 3.82Å; I129-L294 CarbonylContact C-O 3.57Å; I129-L294 WeakPolarHBondContact CA-O 3.42Å; I129-A306 HydrophobicContact CG1-CB 4.29Å; I129-A306 HydrophobicContact CG2-CB 4.22Å; I129-I322 HydrophobicContact CB-CD1 3.99Å; I129-I322 HydrophobicContact CD1-CB 3.93Å; I129-I322 HydrophobicContact CD1-CG2 3.99Å; I129-I322 HydrophobicContact CG2-CB 4.5Å; I129-I322 HydrophobicContact CG2-CD1 3.81Å; I129-I322 HydrophobicContact CG2-CG2 4.05Å; I129-V324 HydrophobicContact CD1-CG2 3.86Å
130T91Very high76.5Confident9 Ų959 Ų596%0.05531%0.312CS..EExtended strand (participates in β ladder)trans-110124.6173.1-57.60000108.7P143 L294 G296T130-P143 HydrophobicContact CG2-CB 3.36Å; T130-P143 HydrophobicContact CG2-CG 3.44Å; T130-P143 VanDerWaalsContact CG2-CG 3.44Å; T130-L294 PolarHBondContact N-O 2.75Å; T130-L294 PolarHBondContact O-N 3.03Å; T130-G296 WeakPolarHBondContact CB-O 3.48Å; T130-G296 PolarHBondContact OG1-O 3.37Å
131L87.9Confident74.7Confident1 Ų159.8 Ų59.81%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-88.6106.3172.3-59.8-179.5000108.4I129 M133 C144 V241 I243 I291 A293 I322I129-L131 HydrophobicContact CG2-CD2 4.3Å; L131-M133 PolarHBondContact O-N 3.04Å; L131-C144 HydrophobicContact CB-CB 4.42Å; L131-C144 PolarHBondContact N-O 3.17Å; L131-V241 HydrophobicContact CD2-CG1 3.83Å; L131-I243 HydrophobicContact CD1-CD1 3.66Å; L131-I243 HydrophobicContact CD1-CG1 4.17Å; L131-I291 HydrophobicContact CB-CG2 4.47Å; L131-A293 HydrophobicContact CD2-CB 3.93Å; L131-I322 HydrophobicContact CD1-CD1 4.04Å; L131-I322 HydrophobicContact CD2-CD1 4.16Å; L131-I322 HydrophobicContact CD2-CG2 4.37Å; L131-I322 HydrophobicContact CG-CD1 3.91Å
132Q81.1Confident73.1Confident60 Ų6061.7 Ų61.728%0.2832%0.324SS..EExtended strand (participates in β ladder)trans-79.3113.4173.4-174.471.425.900108.3I291 I292 L294 L298Q132-I291 VanDerWaalsContact O-CA 3.3Å; Q132-I291 WeakPolarHBondContact O-CA 3.48Å; Q132-I292 HydrophobicContact CB-CG2 3.87Å; Q132-I292 PolarHBondContact N-O 2.95Å; Q132-I292 PolarHBondContact O-N 2.84Å; Q132-L294 HydrophobicContact CB-CD1 3.92Å; Q132-L294 HydrophobicContact CB-CG 4.46Å; Q132-L298 HydrophobicContact CG-CD1 3.61Å; Q132-L298 HydrophobicContact CG-CG 4.11Å
133M73Confident72Confident82 Ų8259.9 Ų59.940%0.40431%0.313SS..  trans-94.7151.2175.1-60.4-171178.400110.8L131 N135 C144 I291L131-M133 PolarHBondContact O-N 3.04Å; M133-N135 PolarHBondContact O-N 3.06Å; M133-C144 HydrophobicContact CE-CB 4.03Å; M133-I291 HydrophobicContact CG-CD1 4.49Å; M133-I291 HydrophobicContact CG-CG1 4.3Å; M133-I291 HydrophobicContact CG-CG2 4.45Å
134D62.5Low71.3Confident66 Ų6658.1 Ų58.135%0.35331%0.306SS..  trans-68.393.2172.6177.930.1000109.6Q289D134-Q289 HydrophobicContact CB-CB 4.28Å; D134-Q289 WeakPolarHBondContact OD2-CB 3.44Å; D134-Q289 WeakPolarHBondContact OD2-CG 3.39Å; D134-Q289 PolarHBondContact OD2-NE2 2.75Å
135N50.9Low71.1Confident94 Ų9455.9 Ų55.950%0.50329%0.294SS..  trans-132.794.6164.3-87.8-15000107.8M133 N137 S138M133-N135 PolarHBondContact O-N 3.06Å; N135-N137 PolarHBondContact O-N 3.29Å; N135-S138 WeakPolarHBondContact CB-OG 3.47Å; N135-S138 PolarHBondContact ND2-OG 3.28Å; N135-S138 VanDerWaalsContact ND2-OG 3.12Å; N135-S138 PolarHBondContact O-N 3.27Å
136K48Very low70.9Confident182 Ų18255.4 Ų55.479%0.79129%0.292SS*.THydrogen-bonded Turntrans-52.8-17163.7-69.6-173.7179.3177.50112.7
137N42.5Very low70.7Confident158 Ų15856 Ų5685%0.84529%0.294SS*.THydrogen-bonded Turntrans-111.8-12.8-174.2-68.1-9000115.6N135 L139N135-N137 PolarHBondContact O-N 3.29Å; N137-L139 PolarHBondContact O-N 2.96Å
138S46.2Very low70.4Confident42 Ų4255.4 Ų55.429%0.29429%0.289SS..  trans-101.278.8175.575.80000109.2N135 D140N135-S138 WeakPolarHBondContact CB-OG 3.47Å; N135-S138 PolarHBondContact ND2-OG 3.28Å; N135-S138 VanDerWaalsContact ND2-OG 3.12Å; N135-S138 PolarHBondContact O-N 3.27Å; S138-D140 PolarHBondContact O-N 2.86Å; S138-D140 VanDerWaalsContact O-N 3.14Å
139L46.2Very low69.9Low156 Ų15656.3 Ų56.382%0.81729%0.293SS*.  trans-62-7.4161-152.182.6000111.4N137 D141N137-L139 PolarHBondContact O-N 2.96Å; L139-D141 PolarHBondContact O-N 3.36Å
140D50.4Low69.4Low99 Ų9956.1 Ų56.153%0.52929%0.293SS..  trans-68.790.8-176.5-82.4-8.1000112.7S138 N142S138-D140 PolarHBondContact O-N 2.86Å; S138-D140 VanDerWaalsContact O-N 3.14Å; D140-N142 PolarHBondContact O-N 2.94Å
141D55.3Low69Low101 Ų10156 Ų5654%0.5429%0.292SS..SBendtrans29.2-15.9135.8-91.1-22.3000123.5L139 P143 K299L139-D141 PolarHBondContact O-N 3.36Å; D141-P143 WeakPolarHBondContact O-CD 3.42Å; D141-K299 IonicContact OD1-NZ 2.77Å; D141-K299 PolarHBondContact OD1-NZ 3.41Å
142N60.2Low68.5Low49 Ų4955.9 Ų55.926%0.26229%0.292SS..  trans-124.672.8-174.4-68.9-35.4000111.9Q65 D140Q65-N142 WeakPolarHBondContact CG-ND2 3.36Å; Q65-N142 PolarHBondContact OE1-ND2 3.27Å; D140-N142 PolarHBondContact O-N 2.94Å
143P66.8Low68.4Low28 Ų2855.6 Ų55.618%0.18229%0.29CS..  trans-65.5148.8174.832.2-36.9000110.9T130 D141 K297T130-P143 HydrophobicContact CG2-CB 3.36Å; T130-P143 HydrophobicContact CG2-CG 3.44Å; T130-P143 VanDerWaalsContact CG2-CG 3.44Å; D141-P143 WeakPolarHBondContact O-CD 3.42Å; P143-K297 HydrophobicContact CG-CD 3.96Å; P143-K297 HydrophobicContact CG-CG 4.08Å
144C77.5Confident68.5Low9 Ų952.2 Ų52.26%0.06127%0.274CS..EExtended strand (participates in β ladder)trans-66.7139.7174.6-179.90000109.4R61 Y62 L131 M133R61-C144 WeakPolarHBondContact O-CA 3.25Å; R61-C144 PolarHBondContact O-SG 3.12Å; Y62-C144 PolarHBondContact O-SG 3.32Å; Y62-C144 VanDerWaalsContact O-SG 3.33Å; L131-C144 HydrophobicContact CB-CB 4.42Å; L131-C144 PolarHBondContact N-O 3.17Å; M133-C144 HydrophobicContact CE-CB 4.03Å
145G84.9Confident68.6Low2 Ų252.7 Ų52.72%0.02128%0.281CS..EExtended strand (participates in β ladder)trans152.4-171.7-179.300000115.4F60 R61 I129F60-G145 CarbonylContact C-O 3.57Å; F60-G145 VanDerWaalsContact CA-O 3.25Å; F60-G145 WeakPolarHBondContact CA-O 3.48Å; R61-G145 PolarHBondContact N-O 3.49Å; R61-G145 PolarHBondContact O-N 3.07Å; R61-G145 VanDerWaalsContact O-N 3.11Å; I129-G145 CarbonylContact O-C 3.51Å; I129-G145 WeakPolarHBondContact O-CA 3.39Å
146I86.9Confident69.1Low2 Ų253 Ų531%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-104.9114.4-175.7-58.4-179.4000108.9C58 T59 F60 F80 P126 A127 S128 I129 Y148 M320 I322C58-I146 VanDerWaalsContact SG-CG2 3.57Å; T59-I146 WeakPolarHBondContact O-CA 3.2Å; F60-I146 HydrophobicContact CB-CG1 4.4Å; F60-I146 HydrophobicContact CD2-CD1 4.31Å; F60-I146 HydrophobicContact CD2-CG1 3.72Å; F80-I146 HydrophobicContact CE2-CD1 4.1Å; F80-I146 HydrophobicContact CE2-CG1 4.32Å; P126-I146 HydrophobicContact CB-CD1 3.52Å; P126-I146 HydrophobicContact CB-CG2 4.18Å; P126-I146 HydrophobicContact CG-CD1 3.85Å; P126-I146 HydrophobicContact CG-CG2 3.69Å; A127-I146 WeakPolarHBondContact O-CB 3.5Å; A127-I146 VanDerWaalsContact O-CG2 3.3Å; A127-I146 WeakPolarHBondContact O-CG2 3.48Å; S128-I146 WeakPolarHBondContact CA-O 3.43Å; I129-I146 PolarHBondContact N-O 3.15Å; I129-I146 PolarHBondContact O-N 3.06Å; I146-Y148 HydrophobicContact CG2-CE2 4.28Å; I146-M320 WeakPolarHBondContact CD1-O 3.29Å; I146-I322 HydrophobicContact CD1-CB 4.34Å; I146-I322 HydrophobicContact CD1-CD1 4.12Å; I146-I322 HydrophobicContact CD1-CG1 4.06Å; I146-I322 HydrophobicContact CG1-CD1 4.03Å; I146-I322 HydrophobicContact CG1-CG1 4.45Å
147E88.4Confident69.4Low11 Ų1148.7 Ų48.75%0.05126%0.259CS..EExtended strand (participates in β ladder)trans-118.7140.1180-66.8-17415100110.6C58 T59 R61 K297C58-E147 WeakPolarHBondContact CA-O 3.46Å; T59-E147 PolarHBondContact N-O 3.42Å; T59-E147 VanDerWaalsContact N-O 3.08Å; T59-E147 PolarHBondContact O-N 2.98Å; R61-E147 IonicContact CZ-OE2 3.24Å; R61-E147 IonicContact NH1-OE2 2.76Å; R61-E147 PolarHBondContact NH1-OE2 3.36Å; R61-E147 IonicContact NH2-OE2 3.53Å; E147-K297 WeakPolarHBondContact OE1-CE 3.22Å; E147-K297 IonicContact OE1-NZ 3.66Å; E147-K297 PolarHBondContact OE1-NZ 2.71Å
148Y89Confident69.7Low1 Ų148 Ų480%0.00426%0.26CS..EExtended strand (participates in β ladder)trans-101.8125.8168.9-76.5-105.8000109.3I56 R57 C58 L121 I125 P126 S128 I146 V168 I169 R171I56-Y148 HydrophobicContact CD1-CD1 4.46Å; I56-Y148 HydrophobicContact CG1-CD1 4.38Å; R57-Y148 CarbonylContact O-C 3.54Å; R57-Y148 VanDerWaalsContact O-CA 3.29Å; R57-Y148 WeakPolarHBondContact O-CA 3.34Å; C58-Y148 HydrophobicContact CB-CD1 3.94Å; C58-Y148 HydrophobicContact CB-CD2 4.45Å; C58-Y148 HydrophobicContact CB-CE1 3.58Å; C58-Y148 HydrophobicContact CB-CE2 4.14Å; C58-Y148 HydrophobicContact CB-CG 4.36Å; C58-Y148 WeakPolarHBondContact SG-CE2 3.35Å; L121-Y148 HydrophobicContact CD1-CD1 4.31Å; L121-Y148 HydrophobicContact CD1-CE1 3.9Å; L121-Y148 HydrophobicContact CD2-CE1 4.43Å; I125-Y148 HydrophobicContact CD1-CE1 3.9Å; I125-Y148 VanDerWaalsContact CD1-OH 3.23Å; I125-Y148 WeakPolarHBondContact CD1-OH 3.37Å; I125-Y148 WeakPolarHBondContact CG1-OH 3.35Å; P126-Y148 VanDerWaalsContact O-CE2 3.26Å; P126-Y148 WeakPolarHBondContact O-CE2 2.95Å; P126-Y148 PolarHBondContact O-OH 2.8Å; S128-Y148 WeakPolarHBondContact OG-CD2 3.48Å; I146-Y148 HydrophobicContact CG2-CE2 4.28Å; Y148-V168 CarbonylContact O-C 3.58Å; Y148-V168 WeakPolarHBondContact O-CA 3.36Å; Y148-I169 VanDerWaalsContact CB-CG1 3.46Å; Y148-I169 PolarHBondContact O-N 2.9Å; Y148-R171 HydrophobicContact CD2-CB 4.11Å; Y148-R171 HydrophobicContact CE2-CB 3.79Å
149I84.2Confident69.8Low27 Ų2750.1 Ų50.114%0.13827%0.272CS..EExtended strand (participates in β ladder)trans-121.1113.6-179.2-55.3177.5000108.4R57 N166 L167 V168R57-I149 PolarHBondContact N-O 2.95Å; R57-I149 PolarHBondContact O-N 3.34Å; I149-N166 HydrophobicContact CG2-CB 4.09Å; I149-L167 WeakPolarHBondContact CA-O 3.23Å; I149-V168 HydrophobicContact CG1-CG2 4.4Å
150Y85.6Confident70.2Confident0 Ų045.4 Ų45.40%026%0.261CS..EExtended strand (participates in β ladder)trans-79.2129.2160.6171.2-79.8000108.4V19 A54 R55 F117 F119 N166 L167V19-Y150 HydrophobicContact CB-CE1 4.35Å; V19-Y150 HydrophobicContact CG1-CD1 4.27Å; V19-Y150 HydrophobicContact CG1-CE1 3.6Å; V19-Y150 HydrophobicContact CG2-CE1 3.92Å; A54-Y150 HydrophobicContact CB-CE2 3.85Å; R55-Y150 CarbonylContact O-C 3.59Å; R55-Y150 VanDerWaalsContact O-CA 3.28Å; R55-Y150 WeakPolarHBondContact O-CA 3.29Å; F117-Y150 HydrophobicContact CD1-CE2 4.19Å; F117-Y150 VanDerWaalsContact CD1-OH 3.23Å; F117-Y150 WeakPolarHBondContact CD1-OH 3.44Å; F117-Y150 HydrophobicContact CD2-CD2 4.38Å; F117-Y150 AromaticContact CD2-CE2 3.54Å; F117-Y150 HydrophobicContact CD2-CE2 3.54Å; F117-Y150 AromaticContact CE1-CE2 3.97Å; F117-Y150 HydrophobicContact CE1-CE2 3.97Å; F117-Y150 AromaticContact CE1-CZ 3.64Å; F117-Y150 WeakPolarHBondContact CE1-OH 3.3Å; F117-Y150 AromaticContact CE2-CD2 3.93Å; F117-Y150 HydrophobicContact CE2-CD2 3.93Å; F117-Y150 AromaticContact CE2-CE2 3.29Å; F117-Y150 HydrophobicContact CE2-CE2 3.29Å; F117-Y150 AromaticContact CE2-CZ 3.83Å; F117-Y150 AromaticContact CG-CE2 3.99Å; F117-Y150 HydrophobicContact CG-CE2 3.99Å; F117-Y150 HydrophobicContact CZ-CD2 4.31Å; F117-Y150 HydrophobicContact CZ-CE1 4.32Å; F117-Y150 AromaticContact CZ-CE2 3.52Å; F117-Y150 HydrophobicContact CZ-CE2 3.52Å; F117-Y150 AromaticContact CZ-CZ 3.52Å; F117-Y150 WeakPolarHBondContact CZ-OH 3.26Å; F119-Y150 HydrophobicContact CE2-CD2 4.3Å; F119-Y150 HydrophobicContact CE2-CE2 4.01Å; Y150-N166 CarbonylContact O-C 3.58Å; Y150-N166 VanDerWaalsContact O-CA 3.3Å; Y150-N166 WeakPolarHBondContact O-CA 3.26Å; Y150-L167 HydrophobicContact CD1-CB 4.36Å; Y150-L167 HydrophobicContact CD1-CD1 3.8Å; Y150-L167 HydrophobicContact CD1-CG 4.12Å; Y150-L167 HydrophobicContact CE1-CD1 4.37Å; Y150-L167 PolarHBondContact N-O 2.98Å; Y150-L167 PolarHBondContact O-N 2.77Å
151A80.6Confident70.7Confident5 Ų549.6 Ų49.64%0.04128%0.275CS..EExtended strand (participates in β ladder)trans-125.1135.2175.200000109.5A54 R55 V165 N166A54-A151 CarbonylContact C-O 3.54Å; A54-A151 WeakPolarHBondContact CA-O 3.43Å; R55-A151 HydrophobicContact CB-CB 4.48Å; R55-A151 PolarHBondContact N-O 3.45Å; R55-A151 PolarHBondContact O-N 2.92Å; A151-V165 CarbonylContact C-O 3.59Å; A151-V165 VanDerWaalsContact CA-O 3.23Å; A151-V165 WeakPolarHBondContact CA-O 3.11Å; A151-N166 VanDerWaalsContact CB-OD1 3.29Å; A151-N166 WeakPolarHBondContact CB-OD1 3.48Å
152S78.4Confident71.5Confident0 Ų053.2 Ų53.20%028%0.281CS..EExtended strand (participates in β ladder)trans-121.3129.1164-175.90000110.2L17 V52 F53 A164 V165L17-S152 WeakPolarHBondContact CD2-O 3.13Å; V52-S152 WeakPolarHBondContact CG1-OG 3.34Å; F53-S152 CarbonylContact O-C 3.58Å; F53-S152 WeakPolarHBondContact O-CA 3.3Å; F53-S152 PolarHBondContact O-OG 3.1Å; S152-A164 CarbonylContact O-C 3.52Å; S152-A164 WeakPolarHBondContact O-CA 3.34Å; S152-V165 PolarHBondContact N-O 2.76Å; S152-V165 PolarHBondContact O-N 2.77Å
153E79.9Confident72.3Confident53 Ų5351.9 Ų51.925%0.24827%0.274CS..EExtended strand (participates in β ladder)trans-144.7151.8-169.768.1-169.3-175.700113.6V52 F53 R55 A164V52-E153 WeakPolarHBondContact CA-O 2.98Å; F53-E153 PolarHBondContact N-O 2.71Å; F53-E153 PolarHBondContact O-N 2.67Å; R55-E153 IonicContact CZ-OE1 3.86Å; R55-E153 VanDerWaalsContact CZ-OE1 3.25Å; R55-E153 IonicContact CZ-OE2 2.77Å; R55-E153 IonicContact NH1-OE1 3.09Å; R55-E153 PolarHBondContact NH1-OE1 3.36Å; R55-E153 IonicContact NH1-OE2 2.76Å; R55-E153 VanDerWaalsContact NH2-CD 3.25Å; R55-E153 IonicContact NH2-OE1 3.37Å; R55-E153 PolarHBondContact NH2-OE1 2.65Å; R55-E153 VanDerWaalsContact NH2-OE1 3.07Å; R55-E153 IonicContact NH2-OE2 2.61Å; R55-E153 PolarHBondContact NH2-OE2 2.67Å; E153-A164 HydrophobicContact CB-CB 4.04Å
154T74.5Confident73.1Confident12 Ų1251.3 Ų51.37%0.07427%0.271CS..  trans-111.999.1169.957.70000110L47 K51 V52 Q156 N163L47-T154 HydrophobicContact CD2-CG2 4.22Å; K51-T154 WeakPolarHBondContact O-CA 3.32Å; V52-T154 HydrophobicContact CG2-CG2 3.76Å; T154-Q156 VanDerWaalsContact C-N 3.3Å; T154-Q156 PolarHBondContact O-N 3.41Å; T154-N163 WeakPolarHBondContact OG1-CB 3.38Å
155P65.1Low73.7Confident75 Ų7551 Ų5149%0.48727%0.269SS..THydrogen-bonded Turntrans-69.4-19.8-167.322.7-31.8000115.2F53 Y157F53-P155 HydrophobicContact CD2-CG 3.9Å; F53-P155 HydrophobicContact CE2-CG 3.67Å; P155-Y157 PolarHBondContact O-N 2.9Å
156Q61.1Low73.9Confident101 Ų10154.7 Ų54.747%0.47229%0.288SS..THydrogen-bonded Turntrans-66.3-22.7-175.5-73170.4-2.500114.4S49 S50 T154 T158S49-Q156 PolarHBondContact O-NE2 3.18Å; S49-Q156 PolarHBondContact O-OE1 3.24Å; S49-Q156 VanDerWaalsContact O-OE1 3.05Å; S50-Q156 PolarHBondContact OG-OE1 3.16Å; T154-Q156 VanDerWaalsContact C-N 3.3Å; T154-Q156 PolarHBondContact O-N 3.41Å; Q156-T158 PolarHBondContact O-N 3.48Å
157Y53.3Low74.1Confident91 Ų9154.6 Ų54.636%0.35729%0.288SS..  trans-90.1101.3174.3-66.1-82000108L47 S50 P155 T159 N163L47-Y157 HydrophobicContact CD2-CE2 4.21Å; S50-Y157 WeakPolarHBondContact OG-CE2 3.42Å; P155-Y157 PolarHBondContact O-N 2.9Å; Y157-T159 PolarHBondContact O-N 2.88Å; Y157-N163 WeakPolarHBondContact CB-ND2 3.26Å; Y157-N163 WeakPolarHBondContact CD2-ND2 3.43Å; Y157-N163 VanDerWaalsContact CG-ND2 3.27Å
158T48.4Very low74.3Confident143 Ų14357 Ų5788%0.87730%0.303SS*.  trans-56.2-7.317349.70000113.8Q156 G160Q156-T158 PolarHBondContact O-N 3.48Å; T158-G160 VanDerWaalsContact C-N 3.33Å; T158-G160 PolarHBondContact O-N 2.77Å
159T50Low74.5Confident87 Ų8757 Ų5753%0.53430%0.303SS..SBendtrans-74.484.6170.233.30000111Y157Y157-T159 PolarHBondContact O-N 2.88Å
160G53.5Low75Confident58 Ų5856.5 Ų56.560%0.59830%0.3SS*.THydrogen-bonded Turntrans-44143.7-177.600000115.8T158 R162T158-G160 VanDerWaalsContact C-N 3.33Å; T158-G160 PolarHBondContact O-N 2.77Å; G160-R162 PolarHBondContact O-N 2.86Å
161K61.9Low75.4Confident186 Ų18656.9 Ų56.981%0.80930%0.301SS*.THydrogen-bonded Turntrans62.9-26170.7-58.4-179.9-179174.60117.6N163 A164K161-N163 VanDerWaalsContact C-N 3.28Å; K161-N163 PolarHBondContact O-N 3.07Å; K161-A164 PolarHBondContact O-N 2.76Å
162R72.5Confident76.1Confident177 Ų17756.8 Ų56.867%0.66830%0.3SS*.THydrogen-bonded Turntrans-70.1-23.4-178.6-73.9-172177.3166.10.6114.1P13 G160P13-R162 HydrophobicContact CB-CG 4.48Å; P13-R162 WeakPolarHBondContact CD-O 3.19Å; G160-R162 PolarHBondContact O-N 2.86Å
163N76.3Confident76.7Confident22 Ų2257.2 Ų57.212%0.11830%0.302CS..THydrogen-bonded Turntrans-104.821.2179.6-58.2-5000112.4N14 T154 Y157 K161N14-N163 PolarHBondContact ND2-OD1 3.29Å; T154-N163 WeakPolarHBondContact OG1-CB 3.38Å; Y157-N163 WeakPolarHBondContact CB-ND2 3.26Å; Y157-N163 WeakPolarHBondContact CD2-ND2 3.43Å; Y157-N163 VanDerWaalsContact CG-ND2 3.27Å; K161-N163 VanDerWaalsContact C-N 3.28Å; K161-N163 PolarHBondContact O-N 3.07Å
164A84.1Confident77.2Confident16 Ų1655 Ų5513%0.13229%0.292CS..EExtended strand (participates in β ladder)trans-123.3148.1178.900000111.5S152 E153 K161S152-A164 CarbonylContact O-C 3.52Å; S152-A164 WeakPolarHBondContact O-CA 3.34Å; E153-A164 HydrophobicContact CB-CB 4.04Å; K161-A164 PolarHBondContact O-N 2.76Å
165V88.9Confident77.9Confident2 Ų254.8 Ų54.81%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-118.4119.4170.6-1790000108.3K10 S12 L17 V19 A151 S152 L167K10-V165 HydrophobicContact CB-CG1 3.92Å; K10-V165 HydrophobicContact CD-CG1 3.97Å; K10-V165 HydrophobicContact CG-CG1 3.99Å; S12-V165 VanDerWaalsContact N-CG2 3.3Å; L17-V165 HydrophobicContact CB-CG2 4.49Å; L17-V165 HydrophobicContact CD2-CG2 4.06Å; L17-V165 HydrophobicContact CG-CG2 4.04Å; V19-V165 HydrophobicContact CB-CG1 4.14Å; V19-V165 HydrophobicContact CG2-CB 3.84Å; V19-V165 HydrophobicContact CG2-CG1 3.86Å; V19-V165 HydrophobicContact CG2-CG2 4.17Å; A151-V165 CarbonylContact C-O 3.59Å; A151-V165 VanDerWaalsContact CA-O 3.23Å; A151-V165 WeakPolarHBondContact CA-O 3.11Å; S152-V165 PolarHBondContact N-O 2.76Å; S152-V165 PolarHBondContact O-N 2.77Å; V165-L167 HydrophobicContact CG1-CD2 4.16Å; V165-L167 HydrophobicContact CG1-CG 4.24Å
166N89.9Confident78.9Confident79 Ų7955.6 Ų55.642%0.42229%0.291SS..EExtended strand (participates in β ladder)trans-108.8129.6175.5-64.6-28.7000110.7K10 I149 Y150 A151K10-N166 WeakPolarHBondContact CD-O 3.46Å; K10-N166 PolarHBondContact NZ-O 2.86Å; I149-N166 HydrophobicContact CG2-CB 4.09Å; Y150-N166 CarbonylContact O-C 3.58Å; Y150-N166 VanDerWaalsContact O-CA 3.3Å; Y150-N166 WeakPolarHBondContact O-CA 3.26Å; A151-N166 VanDerWaalsContact CB-OD1 3.29Å; A151-N166 WeakPolarHBondContact CB-OD1 3.48Å
167L91.6Very high79.8Confident0 Ų053 Ų530%028%0.283CS..EExtended strand (participates in β ladder)trans-124.3118-179.8-58.5178.5000108.9K10 V19 L21 I149 Y150 V165 I169 F372K10-L167 HydrophobicContact CB-CD2 3.5Å; K10-L167 VanDerWaalsContact CB-CD2 3.5Å; K10-L167 HydrophobicContact CD-CD2 3.36Å; K10-L167 HydrophobicContact CG-CD2 4.05Å; V19-L167 HydrophobicContact CB-CD1 4.15Å; V19-L167 HydrophobicContact CG1-CD1 3.59Å; L21-L167 HydrophobicContact CB-CD1 4.17Å; L21-L167 HydrophobicContact CD2-CD1 4.26Å; I149-L167 WeakPolarHBondContact CA-O 3.23Å; Y150-L167 HydrophobicContact CD1-CB 4.36Å; Y150-L167 HydrophobicContact CD1-CD1 3.8Å; Y150-L167 HydrophobicContact CD1-CG 4.12Å; Y150-L167 HydrophobicContact CE1-CD1 4.37Å; Y150-L167 PolarHBondContact N-O 2.98Å; Y150-L167 PolarHBondContact O-N 2.77Å; V165-L167 HydrophobicContact CG1-CD2 4.16Å; V165-L167 HydrophobicContact CG1-CG 4.24Å; L167-I169 PolarHBondContact O-N 2.96Å; L167-F372 HydrophobicContact CB-CD2 4.4Å; L167-F372 HydrophobicContact CB-CE1 3.96Å; L167-F372 HydrophobicContact CB-CE2 3.77Å; L167-F372 HydrophobicContact CB-CZ 3.56Å; L167-F372 HydrophobicContact CD1-CD2 4.3Å; L167-F372 HydrophobicContact CD1-CE2 4.22Å; L167-F372 HydrophobicContact CD2-CB 4.1Å; L167-F372 HydrophobicContact CD2-CD1 3.61Å; L167-F372 HydrophobicContact CD2-CD2 3.65Å; L167-F372 HydrophobicContact CD2-CE1 3.92Å; L167-F372 HydrophobicContact CD2-CE2 3.91Å; L167-F372 HydrophobicContact CD2-CG 3.5Å; L167-F372 HydrophobicContact CD2-CZ 4.06Å; L167-F372 HydrophobicContact CG-CD2 4.35Å; L167-F372 HydrophobicContact CG-CE2 4.19Å; L167-F372 HydrophobicContact CG-CZ 4.34Å
168V91.6Very high80.9Confident61 Ų6155.5 Ų55.537%0.3730%0.296SS..EExtended strand (participates in β ladder)trans-86.6109175.4-176.80000108.7Y148 I149 F372Y148-V168 CarbonylContact O-C 3.58Å; Y148-V168 WeakPolarHBondContact O-CA 3.36Å; I149-V168 HydrophobicContact CG1-CG2 4.4Å; V168-F372 VanDerWaalsContact O-CZ 3.22Å; V168-F372 WeakPolarHBondContact O-CZ 3.38Å
169I93.6Very high81.9Confident2 Ų255.1 Ų55.11%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-102.4161.3177.668.5177.2000109.8L21 R24 I26 I36 I56 Y148 L167 F372L21-I169 HydrophobicContact CD2-CG2 3.56Å; R24-I169 CarbonylContact O-C 3.49Å; R24-I169 VanDerWaalsContact O-CA 3.26Å; R24-I169 WeakPolarHBondContact O-CA 3.49Å; R24-I169 VanDerWaalsContact O-CB 3.3Å; R24-I169 WeakPolarHBondContact O-CB 3.28Å; I26-I169 HydrophobicContact CG1-CD1 3.95Å; I36-I169 HydrophobicContact CD1-CD1 3.55Å; I36-I169 HydrophobicContact CG1-CD1 3.9Å; I36-I169 HydrophobicContact CG2-CD1 4.23Å; I56-I169 HydrophobicContact CD1-CD1 3.68Å; I56-I169 HydrophobicContact CD1-CG1 4.37Å; Y148-I169 VanDerWaalsContact CB-CG1 3.46Å; Y148-I169 PolarHBondContact O-N 2.9Å; L167-I169 PolarHBondContact O-N 2.96Å; I169-F372 HydrophobicContact CG2-CE2 4.33Å; I169-F372 HydrophobicContact CG2-CZ 4.18Å
170R94.1Very high82.8Confident17 Ų1757.1 Ų57.16%0.06430%0.303CS..EExtended strand (participates in β ladder)trans-108.5136.6173.8-60.7-173.4-72.2-172.41.9110R24 D25 I26 S128 L172 D295 D302R24-R170 PolarHBondContact O-N 3.42Å; D25-R170 CarbonylContact C-O 3.5Å; D25-R170 WeakPolarHBondContact CA-O 3.36Å; D25-R170 WeakPolarHBondContact OD1-CB 3.38Å; D25-R170 IonicContact OD1-CZ 3.39Å; D25-R170 IonicContact OD1-NE 3.79Å; D25-R170 PolarHBondContact OD1-NE 3.36Å; D25-R170 IonicContact OD1-NH2 3.64Å; D25-R170 PolarHBondContact OD1-NH2 2.96Å; D25-R170 IonicContact OD2-CZ 3.94Å; D25-R170 IonicContact OD2-NE 2.77Å; D25-R170 IonicContact OD2-NH2 3.36Å; D25-R170 PolarHBondContact OD2-NH2 2.92Å; I26-R170 PolarHBondContact N-O 3.06Å; S128-R170 WeakPolarHBondContact OG-CA 3.38Å; R170-L172 HydrophobicContact CB-CD2 3.99Å; R170-L172 HydrophobicContact CB-CG 4.08Å; R170-D295 WeakPolarHBondContact CD-O 3.23Å; R170-D295 IonicContact NH1-OD1 2.65Å; R170-D295 PolarHBondContact NH1-OD1 2.83Å; R170-D302 PolarHBondContact NH1-O 3.4Å; R170-D302 PolarHBondContact NH2-O 2.95Å; R170-D302 IonicContact NH2-OD2 2.65Å; R170-D302 PolarHBondContact NH2-OD2 2.8Å
171R94.5Very high83.4Confident8 Ų856.2 Ų56.23%0.0329%0.285CS..EExtended strand (participates in β ladder)trans-99.3121.5160.6178.4168.5166.9-108.27.7108.9I26 D28 T122 H123 I125 P126 S128 Y148I26-R171 CarbonylContact O-C 3.51Å; I26-R171 VanDerWaalsContact O-CA 3.3Å; I26-R171 WeakPolarHBondContact O-CA 3.45Å; D28-R171 IonicContact OD2-CZ 3.98Å; D28-R171 IonicContact OD2-NE 3.25Å; D28-R171 IonicContact OD2-NH2 3.07Å; D28-R171 PolarHBondContact OD2-NH2 2.99Å; T122-R171 PolarHBondContact O-NH2 3.47Å; H123-R171 PolarHBondContact O-NH2 3.46Å; I125-R171 PolarHBondContact O-NH1 3.2Å; I125-R171 PolarHBondContact O-NH2 3.42Å; P126-R171 PolarHBondContact O-NH1 2.98Å; S128-R171 WeakPolarHBondContact CB-O 3.37Å; S128-R171 PolarHBondContact N-O 2.94Å; S128-R171 PolarHBondContact OG-N 2.74Å; Y148-R171 HydrophobicContact CD2-CB 4.11Å; Y148-R171 HydrophobicContact CE2-CB 3.79Å
172L94.3Very high83.9Confident3 Ų353.6 Ų53.62%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-119.6141.1-173.2-58.5178.4000110.1D25 I26 F27 D28 R170 D295D25-L172 HydrophobicContact CB-CD1 4.03Å; I26-L172 PolarHBondContact O-N 2.99Å; F27-L172 CarbonylContact C-O 3.51Å; F27-L172 WeakPolarHBondContact CA-O 3.24Å; F27-L172 HydrophobicContact CD1-CB 3.75Å; F27-L172 HydrophobicContact CD1-CD1 4.32Å; F27-L172 HydrophobicContact CE1-CB 3.88Å; F27-L172 HydrophobicContact CE1-CD1 3.62Å; F27-L172 HydrophobicContact CE1-CG 4.36Å; F27-L172 HydrophobicContact CZ-CD1 3.99Å; D28-L172 PolarHBondContact N-O 3.26Å; R170-L172 HydrophobicContact CB-CD2 3.99Å; R170-L172 HydrophobicContact CB-CG 4.08Å; L172-D295 HydrophobicContact CD2-CB 3.73Å
173T90.9Very high84.6Confident9 Ų950.8 Ų50.86%0.05528%0.277CS..EExtended strand (participates in β ladder)trans-89.2132.3177.1-56.20000110.4D28 L310D28-T173 WeakPolarHBondContact O-CA 3.49Å; T173-L310 HydrophobicContact CG2-CB 4Å; T173-L310 HydrophobicContact CG2-CD1 3.71Å; T173-L310 HydrophobicContact CG2-CG 3.65Å
174L91Very high85.2Confident5 Ų553.2 Ų53.23%0.02628%0.284CS..  trans-107.2135.4169-65.6178.8000109.1F27 D28 D29 H351 R353F27-L174 HydrophobicContact CB-CD1 3.48Å; F27-L174 VanDerWaalsContact CB-CD1 3.48Å; F27-L174 HydrophobicContact CB-CG 3.85Å; F27-L174 HydrophobicContact CD1-CD1 3.9Å; F27-L174 HydrophobicContact CD1-CD2 3.6Å; F27-L174 HydrophobicContact CD1-CG 3.64Å; F27-L174 HydrophobicContact CE1-CD2 4.08Å; F27-L174 HydrophobicContact CG-CD1 3.85Å; F27-L174 HydrophobicContact CG-CD2 4.4Å; F27-L174 HydrophobicContact CG-CG 4.08Å; D28-L174 PolarHBondContact O-N 3.22Å; D29-L174 HydrophobicContact CB-CB 4.06Å; L174-H351 HydrophobicContact CD2-CB 3.65Å; L174-H351 WeakPolarHBondContact CD2-O 2.82Å; L174-R353 HydrophobicContact CD1-CB 3.94Å; L174-R353 HydrophobicContact CD1-CG 4Å
175A90Very high85.7Confident9 Ų955.8 Ų55.87%0.07430%0.299CS..PPolyproline II helixtrans-103.1135164.200000108P177 I209 L310 V348 C350A175-P177 WeakPolarHBondContact O-CD 3.49Å; A175-I209 HydrophobicContact CB-CD1 4.09Å; A175-I209 HydrophobicContact CB-CG1 4.2Å; A175-I209 HydrophobicContact CB-CG2 3.81Å; A175-L310 HydrophobicContact CB-CD1 3.88Å; A175-V348 HydrophobicContact CB-CG1 3.58Å; A175-C350 HydrophobicContact CB-CB 4.25Å; A175-C350 VanDerWaalsContact CB-SG 3.57Å; A175-C350 PolarHBondContact N-SG 2.67Å; A175-C350 VanDerWaalsContact N-SG 3.4Å
176I85.2Confident86.1Confident91 Ų9159 Ų5947%0.46731%0.313SS..PPolyproline II helixtrans-95.8116.3174.5-60.1174000106.9D29D29-I176 HydrophobicContact CB-CD1 3.92Å; D29-I176 HydrophobicContact CB-CG1 4.19Å
177P80.2Confident86.4Confident47 Ų4760.6 Ų60.631%0.30532%0.318SS..PPolyproline II helixtrans-54.4139.7171.8-24.234.6000110.4A175 D181 I209 F211A175-P177 WeakPolarHBondContact O-CD 3.49Å; P177-D181 WeakPolarHBondContact CA-OD2 3.34Å; P177-D181 VanDerWaalsContact CB-OD2 3.3Å; P177-D181 WeakPolarHBondContact CB-OD2 3.16Å; P177-I209 HydrophobicContact CG-CG2 4.32Å; P177-F211 HydrophobicContact CG-CE2 4.46Å; P177-F211 HydrophobicContact CG-CZ 3.92Å
178K76.8Confident86.6Confident144 Ų14462.6 Ų62.663%0.62633%0.328SS*.PPolyproline II helixtrans-75.8145.6175.3-59.2171.8-177.5164.50108.3D180 D181K178-D180 PolarHBondContact O-N 3.25Å; K178-D181 VanDerWaalsContact CB-OD1 3.25Å; K178-D181 WeakPolarHBondContact CB-OD1 3.23Å; K178-D181 VanDerWaalsContact N-CG 3.32Å; K178-D181 PolarHBondContact N-OD1 3.28Å; K178-D181 VanDerWaalsContact N-OD1 3.12Å; K178-D181 PolarHBondContact N-OD2 3.19Å; K178-D181 WeakPolarHBondContact O-CB 3.29Å; K178-D181 VanDerWaalsContact O-CG 3.26Å; K178-D181 PolarHBondContact O-N 3.25Å
179P69.3Low86.8Confident134 Ų13463.9 Ų63.987%0.8733%0.331SS*.THydrogen-bonded Turntrans-56-36.1176.1-22.231.6000112.1D181P179-D181 VanDerWaalsContact C-N 3.35Å
180D68.9Low86.7Confident129 Ų12966 Ų6669%0.6934%0.341SS*.THydrogen-bonded Turntrans-97.737177.9-51.8-36.6000111.4K178 N182K178-D180 PolarHBondContact O-N 3.25Å; D180-N182 PolarHBondContact O-N 3.16Å; D180-N182 PolarHBondContact O-ND2 3.38Å
181D65.7Low86.5Confident40 Ų4068.3 Ų68.321%0.21436%0.359CS..  trans-60.787.4171.5-87.4-8.5000108.3P177 K178 P179 K207P177-D181 WeakPolarHBondContact CA-OD2 3.34Å; P177-D181 VanDerWaalsContact CB-OD2 3.3Å; P177-D181 WeakPolarHBondContact CB-OD2 3.16Å; K178-D181 VanDerWaalsContact CB-OD1 3.25Å; K178-D181 WeakPolarHBondContact CB-OD1 3.23Å; K178-D181 VanDerWaalsContact N-CG 3.32Å; K178-D181 PolarHBondContact N-OD1 3.28Å; K178-D181 VanDerWaalsContact N-OD1 3.12Å; K178-D181 PolarHBondContact N-OD2 3.19Å; K178-D181 WeakPolarHBondContact O-CB 3.29Å; K178-D181 VanDerWaalsContact O-CG 3.26Å; K178-D181 PolarHBondContact O-N 3.25Å; P179-D181 VanDerWaalsContact C-N 3.35Å; D181-K207 HydrophobicContact CB-CB 4.34Å
182N72.4Confident86Confident131 Ų13168.8 Ų68.870%0.70136%0.361SS*.PPolyproline II helixtrans-68.5151.6176.5-72-48.5000108.4D180 Y184D180-N182 PolarHBondContact O-N 3.16Å; D180-N182 PolarHBondContact O-ND2 3.38Å; N182-Y184 PolarHBondContact O-N 2.97Å; N182-Y184 VanDerWaalsContact O-N 3.1Å
183I87.1Confident85.1Confident118 Ų11876 Ų7661%0.60540%0.395SS*.PPolyproline II helixtrans-46.9120.7168.5-63.5172.8000108.7I204 L205I183-I204 HydrophobicContact CG2-CG2 3.24Å; I183-L205 CarbonylContact C-O 3.48Å; I183-L205 WeakPolarHBondContact CA-O 3.43Å
184Y90.2Very high84.3Confident72 Ų7284.9 Ų84.928%0.28243%0.432SS..EExtended strand (participates in β ladder)trans-84.3116.3175.9-178.1-80.2000108.8N182 K186 I204 L205 I345N182-Y184 PolarHBondContact O-N 2.97Å; N182-Y184 VanDerWaalsContact O-N 3.1Å; Y184-K186 HydrophobicContact CE1-CB 3.86Å; Y184-I204 CarbonylContact O-C 3.59Å; Y184-I204 WeakPolarHBondContact O-CA 3.3Å; Y184-L205 HydrophobicContact CD1-CD1 4.33Å; Y184-L205 PolarHBondContact N-O 3.48Å; Y184-L205 PolarHBondContact O-N 3.4Å; Y184-I345 HydrophobicContact CD1-CG2 3.84Å; Y184-I345 HydrophobicContact CE1-CB 4.37Å; Y184-I345 HydrophobicContact CE1-CG1 4.3Å; Y184-I345 HydrophobicContact CE1-CG2 3.32Å
185T94.1Very high83.4Confident71 Ų7186.3 Ų86.344%0.43644%0.439SS..EExtended strand (participates in β ladder)trans-116.8129.5177.6-59.50000109.9E187 T202 A203 I204T185-E187 HydrophobicContact CG2-CG 4.2Å; T185-T202 HydrophobicContact CG2-CG2 3.61Å; T185-A203 CarbonylContact C-O 3.52Å; T185-A203 WeakPolarHBondContact CA-O 3.34Å; T185-I204 HydrophobicContact CG2-CG1 4.11Å
186K96.2Very high82.9Confident70 Ų7089.6 Ų89.630%0.30446%0.462SS..EExtended strand (participates in β ladder)trans-126.7134.1172.2-178.7169.5-173.2165.40110.1Y184 A203 E344 I345Y184-K186 HydrophobicContact CE1-CB 3.86Å; K186-A203 PolarHBondContact N-O 3.01Å; K186-A203 PolarHBondContact O-N 3.42Å; K186-E344 PolarHBondContact NZ-O 2.82Å; K186-I345 HydrophobicContact CB-CD1 4.37Å; K186-I345 HydrophobicContact CB-CG1 4.15Å; K186-I345 HydrophobicContact CD-CG1 3.76Å; K186-I345 HydrophobicContact CG-CG1 4.48Å
187E97.1Very high83.1Confident112 Ų11287 Ų8752%0.52346%0.458SS..EExtended strand (participates in β ladder)trans-121.1147-178-56.2-167.9148.300110.6T185 H200 I201 T202T185-E187 HydrophobicContact CG2-CG 4.2Å; E187-H200 IonicContact OE2-NE2 3.53Å; E187-I201 WeakPolarHBondContact CA-O 3.41Å; E187-T202 HydrophobicContact CG-CG2 3.79Å; E187-T202 WeakPolarHBondContact CG-OG1 3.29Å; E187-T202 WeakPolarHBondContact OE1-CG2 3.44Å; E187-T202 PolarHBondContact OE1-OG1 2.84Å
188I96.3Very high83.7Confident41 Ų4188.1 Ų88.121%0.2146%0.458CS..EExtended strand (participates in β ladder)trans-135.4127.3168.2-165.4172000109.3H200 I201 V341 E342 M343I188-H200 WeakPolarHBondContact O-CA 3.01Å; I188-H200 PolarHBondContact O-CD2 3.36Å; I188-I201 HydrophobicContact CG2-CB 3.95Å; I188-I201 HydrophobicContact CG2-CG1 4.47Å; I188-I201 PolarHBondContact N-O 3.4Å; I188-I201 PolarHBondContact O-N 2.78Å; I188-V341 HydrophobicContact CD1-CG1 4.07Å; I188-V341 HydrophobicContact CG1-CG1 4.48Å; I188-V341 HydrophobicContact CG2-CG1 3.91Å; I188-E342 WeakPolarHBondContact CD1-O 3.3Å; I188-M343 HydrophobicContact CB-CE 4.14Å; I188-M343 HydrophobicContact CG2-CB 4.44Å; I188-M343 HydrophobicContact CG2-CE 3.36Å
189I94.8Very high84.5Confident88 Ų8881.2 Ų81.245%0.45143%0.429SS..EExtended strand (participates in β ladder)trans-111.5112.1173-59.3171.2000106.9P191 Q198 L199 H200I189-P191 WeakPolarHBondContact O-CD 3.39Å; I189-Q198 HydrophobicContact CG2-CB 4.15Å; I189-Q198 HydrophobicContact CG2-CG 4.22Å; I189-L199 WeakPolarHBondContact CA-O 3.25Å; I189-H200 HydrophobicContact CG1-CB 4.25Å; I189-H200 WeakPolarHBondContact CG1-CD2 3.32Å
190Q92.6Very high85.8Confident47 Ų4776.6 Ų76.622%0.2240%0.395CS..EExtended strand (participates in β ladder)trans-107.7106.2178.7-176.459.963.600110F192 Q198 L199 V341Q190-F192 HydrophobicContact CG-CE1 4.32Å; Q190-Q198 WeakPolarHBondContact O-CA 3.4Å; Q190-L199 PolarHBondContact N-O 3.37Å; Q190-L199 PolarHBondContact O-N 3.06Å; Q190-V341 HydrophobicContact CB-CB 4.44Å; Q190-V341 HydrophobicContact CB-CG1 3.79Å; Q190-V341 HydrophobicContact CB-CG2 3.76Å; Q190-V341 HydrophobicContact CG-CG1 4.41Å; Q190-V341 HydrophobicContact CG-CG2 3.76Å
191P89.9Confident87.2Confident66 Ų6670.5 Ų70.543%0.42936%0.363SS..EExtended strand (participates in β ladder)trans-71.6143.5169.529.4-33.7000110I189I189-P191 WeakPolarHBondContact O-CD 3.39Å
192F83.9Confident88.7Confident17 Ų1769.1 Ų69.18%0.07536%0.355CS..  trans-108.1130.8172.9-57.6-76.7000110.2Q190 H195 G197 L199 S226 T334 V341Q190-F192 HydrophobicContact CG-CE1 4.32Å; F192-H195 CarbonylContact C-O 3.41Å; F192-H195 HydrophobicContact CB-CB 3.8Å; F192-H195 VanDerWaalsContact CB-O 3.24Å; F192-H195 WeakPolarHBondContact CB-O 3.16Å; F192-H195 HydrophobicContact CG-CB 4.37Å; F192-G197 PolarHBondContact N-O 3.3Å; F192-G197 VanDerWaalsContact N-O 3.13Å; F192-L199 HydrophobicContact CE2-CB 3.61Å; F192-L199 HydrophobicContact CZ-CB 3.85Å; F192-L199 HydrophobicContact CZ-CD2 4.34Å; F192-S226 VanDerWaalsContact CD2-CB 3.43Å; F192-T334 HydrophobicContact CE1-CG2 4.27Å; F192-T334 HydrophobicContact CZ-CG2 3.94Å; F192-V341 HydrophobicContact CE1-CG2 4.18Å; F192-V341 HydrophobicContact CZ-CG2 3.99Å
193H74.3Confident89.9Confident156 Ų15662.9 Ų62.972%0.72232%0.322SS*.SBendtrans-77.7-38.6-175.4-6388.3000112.6
194F75.5Confident90.4Very high194 Ų19459 Ų5985%0.85130%0.302SS*.SBendtrans-92.9-19.9179.5-62.8-70.9000113.4
195H70.5Confident90.7Very high35 Ų3555.6 Ų55.616%0.16229%0.289CS..SBendtrans-111.6104178.9-60.683000107F192 G197 S227 N228 F336 G337F192-H195 CarbonylContact C-O 3.41Å; F192-H195 HydrophobicContact CB-CB 3.8Å; F192-H195 VanDerWaalsContact CB-O 3.24Å; F192-H195 WeakPolarHBondContact CB-O 3.16Å; F192-H195 HydrophobicContact CG-CB 4.37Å; H195-G197 PolarHBondContact O-N 3.15Å; H195-S227 VanDerWaalsContact C-OG 3.29Å; H195-S227 WeakPolarHBondContact CA-OG 3.36Å; H195-S227 VanDerWaalsContact CB-OG 3.3Å; H195-S227 WeakPolarHBondContact CB-OG 3.16Å; H195-N228 HydrophobicContact CB-CB 4.04Å; H195-F336 PolarHBondContact NE2-O 3.01Å; H195-G337 PolarHBondContact CE1-O 3.46Å; H195-G337 VanDerWaalsContact CE1-O 3.24Å
196S80.5Confident90.7Very high79 Ų7955 Ų5555%0.55229%0.286SS*.SBendtrans-52131.5-175.356.90000112.2S226 S227S196-S226 CarbonylContact O-C 3.6Å; S196-S226 WeakPolarHBondContact O-CA 3.31Å; S196-S227 PolarHBondContact N-OG 3.12Å; S196-S227 PolarHBondContact O-N 3.21Å
197G89.3Confident90.5Very high37 Ų3753.6 Ų53.638%0.38128%0.28SS..SBendtrans104.8-160.8179.500000113.6F192 H195F192-G197 PolarHBondContact N-O 3.3Å; F192-G197 VanDerWaalsContact N-O 3.13Å; H195-G197 PolarHBondContact O-N 3.15Å
198Q92.6Very high90.2Very high69 Ų6950.8 Ų50.832%0.32227%0.269SS..EExtended strand (participates in β ladder)trans-144.5154.4-170.863-170.311.500111.6I189 Q190 E225 S226I189-Q198 HydrophobicContact CG2-CB 4.15Å; I189-Q198 HydrophobicContact CG2-CG 4.22Å; Q190-Q198 WeakPolarHBondContact O-CA 3.4Å; Q198-E225 HydrophobicContact CG-CB 4.31Å; Q198-E225 PolarHBondContact NE2-OE2 2.96Å; Q198-E225 CarbonylContact O-C 3.47Å; Q198-E225 WeakPolarHBondContact O-CA 3.41Å; Q198-E225 PolarHBondContact O-N 2.58Å; Q198-S226 PolarHBondContact O-N 3.03Å; Q198-S226 VanDerWaalsContact O-N 3.08Å
199L94Very high90.1Very high0 Ų049.6 Ų49.60%026%0.263CS..EExtended strand (participates in β ladder)trans-105.7123.6168-177.965.1000108.6I189 Q190 F192 I201 I222 N224 V230 A332 T334 V341I189-L199 WeakPolarHBondContact CA-O 3.25Å; Q190-L199 PolarHBondContact N-O 3.37Å; Q190-L199 PolarHBondContact O-N 3.06Å; F192-L199 HydrophobicContact CE2-CB 3.61Å; F192-L199 HydrophobicContact CZ-CB 3.85Å; F192-L199 HydrophobicContact CZ-CD2 4.34Å; L199-I201 HydrophobicContact CD2-CD1 3.98Å; L199-I201 HydrophobicContact CD2-CG1 4.26Å; L199-I201 HydrophobicContact CG-CD1 4.32Å; L199-I201 HydrophobicContact CG-CG1 4.04Å; L199-I222 HydrophobicContact CD1-CG2 3.61Å; L199-N224 HydrophobicContact CD1-CB 3.78Å; L199-V230 HydrophobicContact CD1-CG2 3.77Å; L199-V230 HydrophobicContact CD2-CG2 3.81Å; L199-V230 HydrophobicContact CG-CG2 4.48Å; L199-A332 HydrophobicContact CD2-CB 4.27Å; L199-T334 HydrophobicContact CD2-CG2 4.38Å; L199-V341 HydrophobicContact CD2-CB 4.17Å; L199-V341 HydrophobicContact CD2-CG2 3.74Å
200H96.2Very high90Very high36 Ų3645.4 Ų45.417%0.16724%0.241CC..EExtended strand (participates in β ladder)trans-108.2125.4174.1-177.4-158.8000109.2E187 I188 I189 T202 I222 D223E187-H200 IonicContact OE2-NE2 3.53Å; I188-H200 WeakPolarHBondContact O-CA 3.01Å; I188-H200 PolarHBondContact O-CD2 3.36Å; I189-H200 HydrophobicContact CG1-CB 4.25Å; I189-H200 WeakPolarHBondContact CG1-CD2 3.32Å; H200-T202 PolarHBondContact NE2-OG1 2.8Å; H200-I222 WeakPolarHBondContact O-CA 3.46Å; H200-D223 HydrophobicContact CB-CB 4.23Å; H200-D223 PolarHBondContact N-O 3.32Å; H200-D223 PolarHBondContact O-N 2.79Å
201I97.5Very high90.1Very high2 Ų245.4 Ų45.41%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-124.2125.2175.2-51.3176.4000108E187 I188 L199 L221 I222 A332 V341 M343E187-I201 WeakPolarHBondContact CA-O 3.41Å; I188-I201 HydrophobicContact CG2-CB 3.95Å; I188-I201 HydrophobicContact CG2-CG1 4.47Å; I188-I201 PolarHBondContact N-O 3.4Å; I188-I201 PolarHBondContact O-N 2.78Å; L199-I201 HydrophobicContact CD2-CD1 3.98Å; L199-I201 HydrophobicContact CD2-CG1 4.26Å; L199-I201 HydrophobicContact CG-CD1 4.32Å; L199-I201 HydrophobicContact CG-CG1 4.04Å; I201-L221 CarbonylContact C-O 3.52Å; I201-L221 WeakPolarHBondContact CA-O 3.48Å; I201-I222 HydrophobicContact CG1-CG1 4.18Å; I201-I222 HydrophobicContact CG1-CG2 4.42Å; I201-I222 HydrophobicContact CG2-CG1 4.09Å; I201-A332 HydrophobicContact CD1-CB 3.56Å; I201-V341 HydrophobicContact CD1-CB 4.36Å; I201-V341 HydrophobicContact CD1-CG1 4.19Å; I201-M343 HydrophobicContact CB-CE 3.62Å; I201-M343 HydrophobicContact CG2-CE 3.41Å; I201-M343 VanDerWaalsContact CG2-CE 3.41Å; I201-M343 VanDerWaalsContact O-CE 3.31Å; I201-M343 WeakPolarHBondContact O-CE 3.16Å
202T98Very high90.2Very high10 Ų1043.9 Ų43.96%0.06123%0.228CC..EExtended strand (participates in β ladder)trans-113.5124.1174-60.40000109.1T185 E187 H200 I204 L220 L221T185-T202 HydrophobicContact CG2-CG2 3.61Å; E187-T202 HydrophobicContact CG-CG2 3.79Å; E187-T202 WeakPolarHBondContact CG-OG1 3.29Å; E187-T202 WeakPolarHBondContact OE1-CG2 3.44Å; E187-T202 PolarHBondContact OE1-OG1 2.84Å; H200-T202 PolarHBondContact NE2-OG1 2.8Å; T202-I204 HydrophobicContact CG2-CD1 4.23Å; T202-I204 HydrophobicContact CG2-CG1 3.95Å; T202-L220 WeakPolarHBondContact O-CA 3.37Å; T202-L221 HydrophobicContact CG2-CD1 4.07Å; T202-L221 PolarHBondContact N-O 3.37Å; T202-L221 PolarHBondContact O-N 2.79Å
203A98.1Very high90.5Very high0 Ų044.7 Ų44.70%024%0.241CC..EExtended strand (participates in β ladder)trans-111.1130.3176.600000110.4T185 K186 L218 K219 L220 I330 M343 I345T185-A203 CarbonylContact C-O 3.52Å; T185-A203 WeakPolarHBondContact CA-O 3.34Å; K186-A203 PolarHBondContact N-O 3.01Å; K186-A203 PolarHBondContact O-N 3.42Å; A203-L218 HydrophobicContact CB-CD1 4.1Å; A203-K219 WeakPolarHBondContact CA-O 3.46Å; A203-L220 HydrophobicContact CB-CD2 3.57Å; A203-I330 HydrophobicContact CB-CD1 3.84Å; A203-M343 HydrophobicContact CB-CE 4.38Å; A203-M343 HydrophobicContact CB-SD 3.49Å; A203-M343 WeakPolarHBondContact CB-SD 3.35Å; A203-I345 HydrophobicContact CB-CD1 3.5Å
204I97.5Very high91.4Very high37 Ų3740.1 Ų40.119%0.1922%0.22CC..EExtended strand (participates in β ladder)trans-126.6126.9-173.3-55.7178.1000109.2I183 Y184 T185 T202 K219 L221I183-I204 HydrophobicContact CG2-CG2 3.24Å; Y184-I204 CarbonylContact O-C 3.59Å; Y184-I204 WeakPolarHBondContact O-CA 3.3Å; T185-I204 HydrophobicContact CG2-CG1 4.11Å; T202-I204 HydrophobicContact CG2-CD1 4.23Å; T202-I204 HydrophobicContact CG2-CG1 3.95Å; I204-K219 HydrophobicContact CB-CB 4.18Å; I204-K219 HydrophobicContact CD1-CD 4.42Å; I204-K219 PolarHBondContact N-O 3.16Å; I204-K219 PolarHBondContact O-N 2.82Å; I204-L221 HydrophobicContact CD1-CD1 3.49Å; I204-L221 VanDerWaalsContact CD1-CD1 3.49Å; I204-L221 HydrophobicContact CG1-CD1 4.3Å
205L96.6Very high92.4Very high1 Ų133.3 Ų33.31%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-119.6143.6172.7-64169.7000109I183 Y184 K207 I216 L218 I328 I345 I347I183-L205 CarbonylContact C-O 3.48Å; I183-L205 WeakPolarHBondContact CA-O 3.43Å; Y184-L205 HydrophobicContact CD1-CD1 4.33Å; Y184-L205 PolarHBondContact N-O 3.48Å; Y184-L205 PolarHBondContact O-N 3.4Å; L205-K207 WeakPolarHBondContact CB-O 3.35Å; L205-K207 PolarHBondContact O-N 3.07Å; L205-I216 HydrophobicContact CD2-CG2 3.78Å; L205-L218 HydrophobicContact CD2-CB 4.09Å; L205-L218 HydrophobicContact CD2-CD1 3.81Å; L205-L218 HydrophobicContact CG-CD1 4.27Å; L205-I328 HydrophobicContact CD1-CD1 3.95Å; L205-I328 HydrophobicContact CD2-CD1 3.89Å; L205-I345 HydrophobicContact CD1-CG2 3.59Å; L205-I347 HydrophobicContact CD1-CG2 4.04Å
206P93.2Very high93.6Very high58 Ų5831.6 Ų31.638%0.37719%0.187SC..SBendtrans-67.7-25177.528.3-37000113.4Y210 P217P206-Y210 WeakPolarHBondContact CD-OH 3.25Å; P206-P217 WeakPolarHBondContact CD-O 3.17Å; P206-P217 HydrophobicContact CG-CG 3.67Å
207K92.3Very high94.4Very high41 Ų4129.8 Ų29.818%0.17817%0.173CC..  trans-160.6173.5-179.360.2-176.4-179.1165.50110.3D181 L205 I209 Y210 E214D181-K207 HydrophobicContact CB-CB 4.34Å; L205-K207 WeakPolarHBondContact CB-O 3.35Å; L205-K207 PolarHBondContact O-N 3.07Å; K207-I209 WeakPolarHBondContact CD-O 3.39Å; K207-I209 WeakPolarHBondContact CE-O 3.5Å; K207-I209 PolarHBondContact NZ-O 2.96Å; K207-Y210 HydrophobicContact CD-CE1 4.4Å; K207-Y210 HydrophobicContact CG-CD1 4.45Å; K207-Y210 HydrophobicContact CG-CE1 3.85Å; K207-Y210 HydrophobicContact CG-CE2 4.19Å; K207-Y210 WeakPolarHBondContact O-CE2 3.09Å; K207-Y210 VanDerWaalsContact O-CZ 3.25Å; K207-Y210 PolarHBondContact O-OH 2.84Å; K207-E214 WeakPolarHBondContact CE-OE1 3.13Å; K207-E214 VanDerWaalsContact NZ-CD 3.29Å; K207-E214 IonicContact NZ-OE1 3.8Å; K207-E214 PolarHBondContact NZ-OE1 3.47Å; K207-E214 IonicContact NZ-OE2 3.11Å; K207-E214 PolarHBondContact NZ-OE2 3.31Å; K207-E214 VanDerWaalsContact NZ-OE2 3.09Å
208D91.2Very high94.8Very high53 Ų5328 Ų2828%0.28315%0.154SC..SBendtrans-107.6-17.8177.964.9-12.7000113.8I347 V348D208-I347 WeakPolarHBondContact O-CA 3.21Å; D208-V348 PolarHBondContact O-N 2.91Å
209I93.1Very high95Very high15 Ų1528.2 Ų28.28%0.07715%0.154CC..EExtended strand (participates in β ladder)trans-102.5123.7176.4-63.9160.2000111A175 P177 K207 V348A175-I209 HydrophobicContact CB-CD1 4.09Å; A175-I209 HydrophobicContact CB-CG1 4.2Å; A175-I209 HydrophobicContact CB-CG2 3.81Å; P177-I209 HydrophobicContact CG-CG2 4.32Å; K207-I209 WeakPolarHBondContact CD-O 3.39Å; K207-I209 WeakPolarHBondContact CE-O 3.5Å; K207-I209 PolarHBondContact NZ-O 2.96Å; I209-V348 WeakPolarHBondContact CA-O 3.32Å; I209-V348 HydrophobicContact CB-CB 4.44Å; I209-V348 HydrophobicContact CG1-CB 3.83Å; I209-V348 HydrophobicContact CG1-CG1 4.11Å; I209-V348 HydrophobicContact CG1-CG2 4.36Å; I209-V348 HydrophobicContact CG2-CG1 4.43Å
210Y94Very high95.2Very high1 Ų128.2 Ų28.20%0.00415%0.154CC..EExtended strand (participates in β ladder)trans-126.8148.2178.6-63.9-88.9000111.2P206 K207 E214 I216 I347 V348 L349 C350P206-Y210 WeakPolarHBondContact CD-OH 3.25Å; K207-Y210 HydrophobicContact CD-CE1 4.4Å; K207-Y210 HydrophobicContact CG-CD1 4.45Å; K207-Y210 HydrophobicContact CG-CE1 3.85Å; K207-Y210 HydrophobicContact CG-CE2 4.19Å; K207-Y210 WeakPolarHBondContact O-CE2 3.09Å; K207-Y210 VanDerWaalsContact O-CZ 3.25Å; K207-Y210 PolarHBondContact O-OH 2.84Å; Y210-E214 HydrophobicContact CD1-CG 4.45Å; Y210-I216 HydrophobicContact CD1-CB 4.32Å; Y210-I216 HydrophobicContact CD1-CG1 3.69Å; Y210-I216 HydrophobicContact CD1-CG2 4.46Å; Y210-I216 HydrophobicContact CD2-CD1 4.2Å; Y210-I216 HydrophobicContact CD2-CG1 4.14Å; Y210-I216 HydrophobicContact CD2-CG2 4.5Å; Y210-I216 HydrophobicContact CE1-CB 4.15Å; Y210-I216 HydrophobicContact CE1-CG1 4.01Å; Y210-I216 HydrophobicContact CE1-CG2 3.93Å; Y210-I216 HydrophobicContact CE2-CG1 4.45Å; Y210-I216 HydrophobicContact CE2-CG2 3.99Å; Y210-I216 HydrophobicContact CG-CD1 4.15Å; Y210-I216 HydrophobicContact CG-CG1 3.75Å; Y210-I347 HydrophobicContact CD2-CB 4.47Å; Y210-I347 HydrophobicContact CE2-CG2 4.35Å; Y210-V348 PolarHBondContact N-O 2.83Å; Y210-L349 WeakPolarHBondContact O-CA 3.09Å; Y210-C350 PolarHBondContact O-N 2.81Å
211F93.7Very high95.2Very high46 Ų4628.7 Ų28.720%0.20216%0.158CC..EExtended strand (participates in β ladder)trans-94.7154.5178.2-59.3-62000112.7P177 G213 E214 C350 H351 T352P177-F211 HydrophobicContact CG-CE2 4.46Å; P177-F211 HydrophobicContact CG-CZ 3.92Å; F211-G213 PolarHBondContact O-N 2.8Å; F211-E214 PolarHBondContact N-OE2 2.69Å; F211-E214 WeakPolarHBondContact O-CB 2.96Å; F211-E214 PolarHBondContact O-N 2.61Å; F211-C350 CarbonylContact C-O 3.54Å; F211-C350 VanDerWaalsContact CA-O 3.26Å; F211-C350 WeakPolarHBondContact CA-O 3.34Å; F211-H351 WeakPolarHBondContact CD1-O 3.21Å; F211-H351 WeakPolarHBondContact CE1-O 3.49Å; F211-T352 HydrophobicContact CB-CG2 3.61Å; F211-T352 HydrophobicContact CD1-CG2 3.64Å; F211-T352 HydrophobicContact CD2-CG2 3.59Å; F211-T352 HydrophobicContact CE1-CG2 4.16Å; F211-T352 HydrophobicContact CE2-CG2 4.11Å; F211-T352 HydrophobicContact CG-CG2 3.32Å; F211-T352 HydrophobicContact CZ-CG2 4.37Å
212H92.6Very high95.2Very high34 Ų3428.6 Ų28.616%0.15716%0.157CC..THydrogen-bonded Turntrans-53.9129.2174.8-69.8-56.1000111.8E214 N304 L305 S307 C350 H351H212-E214 PolarHBondContact O-N 2.69Å; H212-N304 HydrophobicContact CB-CB 4.33Å; H212-L305 PolarHBondContact CE1-O 2.94Å; H212-L305 PolarHBondContact NE2-O 2.97Å; H212-S307 PolarHBondContact NE2-OG 2.88Å; H212-C350 PolarHBondContact CD2-O 2.96Å; H212-C350 VanDerWaalsContact CD2-O 3.28Å; H212-C350 PolarHBondContact N-O 3.18Å; H212-H351 AromaticContact CD2-CD2 3.95Å; H212-H351 AromaticContact CD2-CE1 3.54Å; H212-H351 AromaticContact CD2-CG 3.8Å; H212-H351 AromaticContact CD2-ND1 3.55Å; H212-H351 AromaticContact CD2-NE2 3.8Å; H212-H351 AromaticContact NE2-CE1 3.58Å; H212-H351 AromaticContact NE2-ND1 3.61Å
213G90.3Very high95.1Very high35 Ų3530.3 Ų30.336%0.36117%0.166SC..THydrogen-bonded Turntrans83.6-11-179.100000115.1F211 R280F211-G213 PolarHBondContact O-N 2.8Å; G213-R280 PolarHBondContact O-NE 2.94Å; G213-R280 VanDerWaalsContact O-NE 3.09Å; G213-R280 PolarHBondContact O-NH2 3.26Å; G213-R280 VanDerWaalsContact O-NH2 3.08Å
214E93.1Very high95Very high59 Ų5930.3 Ų30.328%0.27617%0.166SC..  trans-66.9148.4171.3-166.2179.7173.800110.7K207 Y210 F211 H212K207-E214 WeakPolarHBondContact CE-OE1 3.13Å; K207-E214 VanDerWaalsContact NZ-CD 3.29Å; K207-E214 IonicContact NZ-OE1 3.8Å; K207-E214 PolarHBondContact NZ-OE1 3.47Å; K207-E214 IonicContact NZ-OE2 3.11Å; K207-E214 PolarHBondContact NZ-OE2 3.31Å; K207-E214 VanDerWaalsContact NZ-OE2 3.09Å; Y210-E214 HydrophobicContact CD1-CG 4.45Å; F211-E214 PolarHBondContact N-OE2 2.69Å; F211-E214 WeakPolarHBondContact O-CB 2.96Å; F211-E214 PolarHBondContact O-N 2.61Å; H212-E214 PolarHBondContact O-N 2.69Å
215T95.5Very high94.8Very high51 Ų5132.6 Ų32.631%0.31318%0.176SC..  trans-94.8136.2173.2-55.80000109.4P217 Q278T215-P217 WeakPolarHBondContact O-CD 3.09Å; T215-Q278 HydrophobicContact CG2-CB 3.72Å; T215-Q278 HydrophobicContact CG2-CG 4.43Å
216I96.2Very high94.5Very high0 Ų032.6 Ų32.60%018%0.176CC..EExtended strand (participates in β ladder)trans-99.5106.5-178.8-54.2175.6000108.2L205 Y210 L218 L279 P281 I328 I347L205-I216 HydrophobicContact CD2-CG2 3.78Å; Y210-I216 HydrophobicContact CD1-CB 4.32Å; Y210-I216 HydrophobicContact CD1-CG1 3.69Å; Y210-I216 HydrophobicContact CD1-CG2 4.46Å; Y210-I216 HydrophobicContact CD2-CD1 4.2Å; Y210-I216 HydrophobicContact CD2-CG1 4.14Å; Y210-I216 HydrophobicContact CD2-CG2 4.5Å; Y210-I216 HydrophobicContact CE1-CB 4.15Å; Y210-I216 HydrophobicContact CE1-CG1 4.01Å; Y210-I216 HydrophobicContact CE1-CG2 3.93Å; Y210-I216 HydrophobicContact CE2-CG1 4.45Å; Y210-I216 HydrophobicContact CE2-CG2 3.99Å; Y210-I216 HydrophobicContact CG-CD1 4.15Å; Y210-I216 HydrophobicContact CG-CG1 3.75Å; I216-L218 PolarHBondContact O-N 3.4Å; I216-L279 HydrophobicContact CB-CB 4.2Å; I216-L279 WeakPolarHBondContact CB-O 3.35Å; I216-L279 PolarHBondContact N-O 2.83Å; I216-L279 PolarHBondContact O-N 3.11Å; I216-P281 HydrophobicContact CD1-CG 3.94Å; I216-I328 HydrophobicContact CG2-CD1 3.96Å; I216-I347 HydrophobicContact CD1-CD1 3.51Å
217P97Very high94.4Very high40 Ų4032.4 Ų32.426%0.2618%0.176SC..EExtended strand (participates in β ladder)trans-80112.2174.932.1-32.6000109.8P206 T215 I276 F277P206-P217 WeakPolarHBondContact CD-O 3.17Å; P206-P217 HydrophobicContact CG-CG 3.67Å; T215-P217 WeakPolarHBondContact O-CD 3.09Å; P217-I276 HydrophobicContact CB-CG2 4.39Å; P217-F277 WeakPolarHBondContact CA-O 3.48Å
218L97.8Very high94.3Very high0 Ų030.9 Ų30.90%017%0.17CC..EExtended strand (participates in β ladder)trans-102.7111.1174.8172.569.8000109.5A203 L205 I216 L220 I235 I276 F277 L279 I328 I330 I345A203-L218 HydrophobicContact CB-CD1 4.1Å; L205-L218 HydrophobicContact CD2-CB 4.09Å; L205-L218 HydrophobicContact CD2-CD1 3.81Å; L205-L218 HydrophobicContact CG-CD1 4.27Å; I216-L218 PolarHBondContact O-N 3.4Å; L218-L220 HydrophobicContact CD1-CD2 3.93Å; L218-L220 HydrophobicContact CD2-CD1 4.26Å; L218-L220 HydrophobicContact CD2-CD2 4.02Å; L218-L220 HydrophobicContact CD2-CG 4.11Å; L218-L220 HydrophobicContact CG-CD2 3.92Å; L218-L220 HydrophobicContact CG-CG 4.06Å; L218-I235 HydrophobicContact CD2-CD1 4.35Å; L218-I235 HydrophobicContact CD2-CG2 3.81Å; L218-I276 CarbonylContact O-C 3.52Å; L218-I276 WeakPolarHBondContact O-CA 3.36Å; L218-F277 HydrophobicContact CB-CB 4.42Å; L218-F277 PolarHBondContact N-O 3.28Å; L218-F277 PolarHBondContact O-N 3.11Å; L218-L279 HydrophobicContact CB-CD1 4.14Å; L218-L279 HydrophobicContact CB-CG 4.49Å; L218-L279 HydrophobicContact CD2-CD1 4.08Å; L218-I328 HydrophobicContact CD2-CG2 4.05Å; L218-I330 HydrophobicContact CD1-CD1 4.12Å; L218-I330 HydrophobicContact CD2-CD1 3.9Å; L218-I330 HydrophobicContact CD2-CG1 3.91Å; L218-I345 HydrophobicContact CD1-CD1 4.48Å
219K97.6Very high94.3Very high73 Ų7331 Ų3132%0.31717%0.17SC..EExtended strand (participates in β ladder)trans-90.5127.4171178.5179.7-178.6-175.60109.6A203 I204 N274 E275 I276A203-K219 WeakPolarHBondContact CA-O 3.46Å; I204-K219 HydrophobicContact CB-CB 4.18Å; I204-K219 HydrophobicContact CD1-CD 4.42Å; I204-K219 PolarHBondContact N-O 3.16Å; I204-K219 PolarHBondContact O-N 2.82Å; K219-N274 WeakPolarHBondContact CE-OD1 3.04Å; K219-E275 WeakPolarHBondContact CA-O 3.03Å; K219-I276 HydrophobicContact CB-CG1 4.07Å; K219-I276 HydrophobicContact CG-CG1 4.11Å
220L97.6Very high94.4Very high0 Ų030.4 Ų30.40%017%0.167CC..EExtended strand (participates in β ladder)trans-115.9131.1176.7-65.8-175.5000110.1T202 A203 L218 L233 I235 W273 N274 E275 F277 I330T202-L220 WeakPolarHBondContact O-CA 3.37Å; A203-L220 HydrophobicContact CB-CD2 3.57Å; L218-L220 HydrophobicContact CD1-CD2 3.93Å; L218-L220 HydrophobicContact CD2-CD1 4.26Å; L218-L220 HydrophobicContact CD2-CD2 4.02Å; L218-L220 HydrophobicContact CD2-CG 4.11Å; L218-L220 HydrophobicContact CG-CD2 3.92Å; L218-L220 HydrophobicContact CG-CG 4.06Å; L220-L233 HydrophobicContact CD1-CD1 3.96Å; L220-I235 HydrophobicContact CD1-CD1 3.79Å; L220-I235 HydrophobicContact CD1-CG1 4.39Å; L220-W273 HydrophobicContact CB-CZ3 3.92Å; L220-N274 WeakPolarHBondContact O-CA 3.31Å; L220-E275 PolarHBondContact N-O 2.82Å; L220-E275 PolarHBondContact O-N 2.77Å; L220-E275 VanDerWaalsContact O-N 3.07Å; L220-F277 HydrophobicContact CB-CE2 4.48Å; L220-F277 HydrophobicContact CD1-CD2 3.98Å; L220-F277 HydrophobicContact CD1-CE2 3.82Å; L220-F277 HydrophobicContact CG-CD2 4.22Å; L220-F277 HydrophobicContact CG-CE2 4.31Å; L220-I330 HydrophobicContact CD1-CG1 4.49Å; L220-I330 HydrophobicContact CD1-CG2 3.89Å; L220-I330 HydrophobicContact CD2-CD1 3.76Å; L220-I330 HydrophobicContact CD2-CG1 4.27Å; L220-I330 HydrophobicContact CD2-CG2 4.37Å
221L97.2Very high94.4Very high46 Ų4636.4 Ų36.424%0.24119%0.19CC..EExtended strand (participates in β ladder)trans-115133.1171.1-61.8135.7000108.2I201 T202 I204 W273 N274I201-L221 CarbonylContact C-O 3.52Å; I201-L221 WeakPolarHBondContact CA-O 3.48Å; T202-L221 HydrophobicContact CG2-CD1 4.07Å; T202-L221 PolarHBondContact N-O 3.37Å; T202-L221 PolarHBondContact O-N 2.79Å; I204-L221 HydrophobicContact CD1-CD1 3.49Å; I204-L221 VanDerWaalsContact CD1-CD1 3.49Å; I204-L221 HydrophobicContact CG1-CD1 4.3Å; L221-W273 CarbonylContact C-O 3.57Å; L221-W273 VanDerWaalsContact CA-O 3.27Å; L221-W273 WeakPolarHBondContact CA-O 3.35Å; L221-N274 HydrophobicContact CD2-CB 4.02Å
222I96.7Very high94.5Very high0 Ų037.4 Ų37.40%019%0.192CC..EExtended strand (participates in β ladder)trans-130.2122.3-179.9-58.7179000109.9L199 H200 I201 L233 F264 I266 W273L199-I222 HydrophobicContact CD1-CG2 3.61Å; H200-I222 WeakPolarHBondContact O-CA 3.46Å; I201-I222 HydrophobicContact CG1-CG1 4.18Å; I201-I222 HydrophobicContact CG1-CG2 4.42Å; I201-I222 HydrophobicContact CG2-CG1 4.09Å; I222-L233 HydrophobicContact CD1-CD1 3.95Å; I222-L233 HydrophobicContact CD1-CD2 4.15Å; I222-L233 HydrophobicContact CD1-CG 4.36Å; I222-F264 HydrophobicContact CD1-CZ 4.48Å; I222-I266 HydrophobicContact CB-CD1 3.93Å; I222-I266 HydrophobicContact CD1-CD1 3.8Å; I222-I266 HydrophobicContact CG1-CD1 4.43Å; I222-I266 HydrophobicContact CG2-CD1 3.78Å; I222-W273 HydrophobicContact CB-CB 4.22Å; I222-W273 HydrophobicContact CB-CD2 4.49Å; I222-W273 HydrophobicContact CB-CE3 3.96Å; I222-W273 HydrophobicContact CD1-CD2 4.42Å; I222-W273 HydrophobicContact CD1-CE3 3.72Å; I222-W273 HydrophobicContact CD1-CH2 4.45Å; I222-W273 HydrophobicContact CD1-CZ3 3.74Å; I222-W273 HydrophobicContact CG1-CE3 3.69Å; I222-W273 HydrophobicContact CG1-CZ3 4.02Å; I222-W273 PolarHBondContact N-O 3.29Å; I222-W273 PolarHBondContact O-N 3.48Å
223D96.4Very high94.7Very high47 Ų4735.8 Ų35.825%0.25119%0.185SC..EExtended strand (participates in β ladder)trans-112.2105.2169.9-62.6-45000109.4H200 E225 T271 G272H200-D223 HydrophobicContact CB-CB 4.23Å; H200-D223 PolarHBondContact N-O 3.32Å; H200-D223 PolarHBondContact O-N 2.79Å; D223-E225 PolarHBondContact O-N 3.15Å; D223-T271 HydrophobicContact CB-CG2 4.05Å; D223-T271 WeakPolarHBondContact OD1-CA 3.42Å; D223-T271 WeakPolarHBondContact OD1-CB 3.3Å; D223-G272 PolarHBondContact OD1-N 2.98Å
224N94.8Very high95Very high0 Ų036.6 Ų36.60%018%0.178CC..EExtended strand (participates in β ladder)trans-93.379.2178.7-174.315.5000110.9L199 S226 N228 I266 D267 K269 T270L199-N224 HydrophobicContact CD1-CB 3.78Å; N224-S226 PolarHBondContact O-N 2.65Å; N224-S226 WeakPolarHBondContact OD1-CB 3.32Å; N224-S226 PolarHBondContact OD1-N 2.63Å; N224-S226 PolarHBondContact OD1-OG 3.25Å; N224-N228 PolarHBondContact ND2-O 3.23Å; N224-I266 HydrophobicContact CB-CG2 3.82Å; N224-I266 PolarHBondContact ND2-O 3.1Å; N224-D267 PolarHBondContact ND2-O 3.41Å; N224-K269 CarbonylContact O-C 3.54Å; N224-K269 WeakPolarHBondContact O-CA 3.45Å; N224-K269 PolarHBondContact O-N 3.34Å; N224-T270 WeakPolarHBondContact CA-O 3.28Å; N224-T270 WeakPolarHBondContact CB-O 3.03Å; N224-T270 PolarHBondContact N-O 2.9Å; N224-T270 PolarHBondContact O-N 3.14Å
225E93.5Very high95.2Very high85 Ų8533.8 Ų33.840%0.39717%0.165SC..  trans-80.16.6173.9-58.5-177.3154.300112.9Q198 D223 K269 T271Q198-E225 HydrophobicContact CG-CB 4.31Å; Q198-E225 PolarHBondContact NE2-OE2 2.96Å; Q198-E225 CarbonylContact O-C 3.47Å; Q198-E225 WeakPolarHBondContact O-CA 3.41Å; Q198-E225 PolarHBondContact O-N 2.58Å; D223-E225 PolarHBondContact O-N 3.15Å; E225-K269 PolarHBondContact O-NZ 2.67Å; E225-T271 HydrophobicContact CG-CG2 4.15Å
226S91.7Very high95.2Very high1 Ų132 Ų321%0.00715%0.153CC..SBendtrans-85.4173.2179.584.80000112.7F192 S196 Q198 N224 N228 A268 K269F192-S226 VanDerWaalsContact CD2-CB 3.43Å; S196-S226 CarbonylContact O-C 3.6Å; S196-S226 WeakPolarHBondContact O-CA 3.31Å; Q198-S226 PolarHBondContact O-N 3.03Å; Q198-S226 VanDerWaalsContact O-N 3.08Å; N224-S226 PolarHBondContact O-N 2.65Å; N224-S226 WeakPolarHBondContact OD1-CB 3.32Å; N224-S226 PolarHBondContact OD1-N 2.63Å; N224-S226 PolarHBondContact OD1-OG 3.25Å; S226-N228 VanDerWaalsContact C-N 3.33Å; S226-N228 PolarHBondContact OG-N 2.61Å; S226-N228 PolarHBondContact OG-O 2.78Å; S226-A268 WeakPolarHBondContact O-CA 3.36Å; S226-A268 WeakPolarHBondContact O-CB 3.5Å; S226-K269 PolarHBondContact O-N 2.95Å
227S90Very high95.2Very high53 Ų5332 Ų3237%0.37115%0.153SC..SBendtrans-90.26.3168.268.80000113.5H195 S196H195-S227 VanDerWaalsContact C-OG 3.29Å; H195-S227 WeakPolarHBondContact CA-OG 3.36Å; H195-S227 VanDerWaalsContact CB-OG 3.3Å; H195-S227 WeakPolarHBondContact CB-OG 3.16Å; S196-S227 PolarHBondContact N-OG 3.12Å; S196-S227 PolarHBondContact O-N 3.21Å
228N89.9Confident95.1Very high10 Ų1030.1 Ų30.15%0.05314%0.141CC..SBendtrans-101.3164.3177.6-156.6-11.7000111H195 N224 S226 A268 G335 G338H195-N228 HydrophobicContact CB-CB 4.04Å; N224-N228 PolarHBondContact ND2-O 3.23Å; S226-N228 VanDerWaalsContact C-N 3.33Å; S226-N228 PolarHBondContact OG-N 2.61Å; S226-N228 PolarHBondContact OG-O 2.78Å; N228-A268 WeakPolarHBondContact O-CA 3.29Å; N228-G335 WeakPolarHBondContact OD1-CA 2.94Å; N228-G335 PolarHBondContact OD1-N 3.46Å; N228-G338 WeakPolarHBondContact ND2-CA 3.3Å; N228-G338 PolarHBondContact ND2-N 2.87Å
229I91.7Very high95Very high56 Ų5630.1 Ų30.129%0.28714%0.141SC..PPolyproline II helixtrans-96.3144.1171.963.5173.5000110.3R231 P265 I266 T334 G335I229-R231 HydrophobicContact CD1-CG 3.84Å; I229-R231 HydrophobicContact CG1-CG 4.06Å; I229-P265 HydrophobicContact CB-CB 4.36Å; I229-I266 WeakPolarHBondContact CA-O 3.46Å; I229-T334 CarbonylContact O-C 3.42Å; I229-T334 WeakPolarHBondContact O-CA 3.38Å; I229-G335 PolarHBondContact O-N 2.9Å
230V94.3Very high94.9Very high1 Ų127.6 Ų27.61%0.00613%0.131CC..EExtended strand (participates in β ladder)trans-92.2121.1161.4-171.20000106.8L199 F264 P265 I266 A332L199-V230 HydrophobicContact CD1-CG2 3.77Å; L199-V230 HydrophobicContact CD2-CG2 3.81Å; L199-V230 HydrophobicContact CG-CG2 4.48Å; V230-F264 HydrophobicContact CB-CD1 4.34Å; V230-F264 HydrophobicContact CB-CE1 4.16Å; V230-F264 HydrophobicContact CG1-CD1 4.05Å; V230-F264 HydrophobicContact CG1-CE1 3.63Å; V230-F264 WeakPolarHBondContact O-CD1 3.38Å; V230-P265 CarbonylContact O-C 3.34Å; V230-P265 WeakPolarHBondContact O-CA 3.37Å; V230-P265 WeakPolarHBondContact O-CB 3.33Å; V230-I266 HydrophobicContact CB-CB 4.1Å; V230-I266 HydrophobicContact CG2-CB 4.43Å; V230-I266 PolarHBondContact N-O 2.66Å; V230-I266 PolarHBondContact O-N 2.77Å; V230-A332 HydrophobicContact CG1-CB 3.92Å
231R94.5Very high94.7Very high128 Ų12827.7 Ų27.748%0.48313%0.132SC..EExtended strand (participates in β ladder)trans-88.3-33.1-172.5-71.6-177.6169.6168.80.8114.1I229 F264 V333I229-R231 HydrophobicContact CD1-CG 3.84Å; I229-R231 HydrophobicContact CG1-CG 4.06Å; R231-F264 WeakPolarHBondContact O-CB 3.46Å; R231-V333 PolarHBondContact N-O 2.8Å
232R95.5Very high94.5Very high67 Ų6727.4 Ų27.425%0.25313%0.129SC..EExtended strand (participates in β ladder)trans-168.6165.4-177.860.5-176.4-17687.8-3.8110.9D259 T260 E261 V333R232-D259 WeakPolarHBondContact CD-OD1 3.38Å; R232-D259 IonicContact CZ-OD1 2.72Å; R232-D259 IonicContact CZ-OD2 2.91Å; R232-D259 IonicContact NE-OD1 3.49Å; R232-D259 IonicContact NH1-OD1 2.99Å; R232-D259 PolarHBondContact NH1-OD1 2.98Å; R232-D259 IonicContact NH1-OD2 3.76Å; R232-D259 PolarHBondContact NH1-OD2 2.76Å; R232-T260 WeakPolarHBondContact CB-O 3.38Å; R232-E261 HydrophobicContact CB-CG 4.06Å; R232-V333 HydrophobicContact CG-CB 3.8Å; R232-V333 HydrophobicContact CG-CG1 4.4Å; R232-V333 HydrophobicContact CG-CG2 4.09Å; R232-V333 PolarHBondContact O-N 2.77Å
233L96.6Very high94.1Very high0 Ų028.4 Ų28.40%013%0.134CC..EExtended strand (participates in β ladder)trans-113.5137.5170.4-79.5170000111L220 I222 T260 F264 W273 F277 I330 A332L220-L233 HydrophobicContact CD1-CD1 3.96Å; I222-L233 HydrophobicContact CD1-CD1 3.95Å; I222-L233 HydrophobicContact CD1-CD2 4.15Å; I222-L233 HydrophobicContact CD1-CG 4.36Å; L233-T260 HydrophobicContact CB-CG2 3.81Å; L233-T260 PolarHBondContact N-O 3.36Å; L233-T260 VanDerWaalsContact N-O 3.1Å; L233-T260 PolarHBondContact O-N 3.21Å; L233-F264 HydrophobicContact CB-CE2 4.18Å; L233-F264 HydrophobicContact CB-CZ 4.07Å; L233-F264 HydrophobicContact CD1-CE1 4.4Å; L233-F264 HydrophobicContact CD1-CE2 3.81Å; L233-F264 HydrophobicContact CD1-CZ 3.34Å; L233-F264 HydrophobicContact CD2-CZ 4.5Å; L233-F264 HydrophobicContact CG-CE1 4.01Å; L233-F264 HydrophobicContact CG-CE2 3.89Å; L233-F264 HydrophobicContact CG-CZ 3.31Å; L233-W273 HydrophobicContact CD1-CH2 3.52Å; L233-W273 HydrophobicContact CD1-CZ2 4.28Å; L233-W273 HydrophobicContact CD1-CZ3 4Å; L233-F277 HydrophobicContact CD1-CE2 4.42Å; L233-F277 HydrophobicContact CD1-CZ 4.36Å; L233-I330 HydrophobicContact CD2-CG2 4.14Å; L233-A332 HydrophobicContact CD2-CB 3.88Å
234K96.7Very high93.6Very high51 Ų5126.8 Ų26.822%0.22213%0.126CC..EExtended strand (participates in β ladder)trans-112.5123.7165.6-168.5176.7-169.6-174.20109.6Q236 D257 I258 K331K234-Q236 HydrophobicContact CD-CG 4.48Å; K234-Q236 VanDerWaalsContact CE-NE2 3.26Å; K234-Q236 HydrophobicContact CG-CG 4.18Å; K234-D257 WeakPolarHBondContact CE-OD1 3.19Å; K234-D257 WeakPolarHBondContact CE-OD2 3.26Å; K234-D257 IonicContact NZ-OD1 2.71Å; K234-D257 IonicContact NZ-OD2 3.53Å; K234-D257 PolarHBondContact NZ-OD2 3.03Å; K234-D257 VanDerWaalsContact NZ-OD2 3.11Å; K234-I258 CarbonylContact C-O 3.57Å; K234-I258 WeakPolarHBondContact CA-O 3.41Å; K234-K331 HydrophobicContact CB-CB 4.31Å; K234-K331 PolarHBondContact N-O 2.79Å; K234-K331 PolarHBondContact O-N 2.86Å
235I97.4Very high93Very high0 Ų027 Ų270%013%0.127CC..EExtended strand (participates in β ladder)trans-124.1123.6-178.4-54.2168.9000108.3L218 L220 I258 F277 L279 I328 R329 I330L218-I235 HydrophobicContact CD2-CD1 4.35Å; L218-I235 HydrophobicContact CD2-CG2 3.81Å; L220-I235 HydrophobicContact CD1-CD1 3.79Å; L220-I235 HydrophobicContact CD1-CG1 4.39Å; I235-I258 HydrophobicContact CB-CB 4.38Å; I235-I258 PolarHBondContact N-O 3.09Å; I235-I258 PolarHBondContact O-N 2.9Å; I235-F277 HydrophobicContact CD1-CB 4.15Å; I235-F277 HydrophobicContact CD1-CD1 3.63Å; I235-F277 HydrophobicContact CD1-CD2 3.43Å; I235-F277 VanDerWaalsContact CD1-CD2 3.43Å; I235-F277 HydrophobicContact CD1-CE1 3.83Å; I235-F277 HydrophobicContact CD1-CE2 3.64Å; I235-F277 HydrophobicContact CD1-CG 3.42Å; I235-F277 VanDerWaalsContact CD1-CG 3.42Å; I235-F277 HydrophobicContact CD1-CZ 3.83Å; I235-L279 HydrophobicContact CG2-CD1 3.93Å; I235-L279 HydrophobicContact CG2-CD2 3.81Å; I235-I328 HydrophobicContact CG2-CG2 4.21Å; I235-R329 CarbonylContact C-O 3.54Å; I235-R329 WeakPolarHBondContact CA-O 3.39Å; I235-I330 HydrophobicContact CG2-CG1 4.34Å
236Q95.6Very high91.8Very high13 Ų1331.5 Ų31.56%0.06115%0.146CC..EExtended strand (participates in β ladder)trans-130140.5-176.2-53.6-176-67.700111.1K234 I238 N254 V256 D257 I328 R329K234-Q236 HydrophobicContact CD-CG 4.48Å; K234-Q236 VanDerWaalsContact CE-NE2 3.26Å; K234-Q236 HydrophobicContact CG-CG 4.18Å; Q236-I238 HydrophobicContact CB-CD1 4.2Å; Q236-I238 HydrophobicContact CB-CG1 3.92Å; Q236-N254 PolarHBondContact NE2-ND2 3.23Å; Q236-V256 CarbonylContact C-O 3.53Å; Q236-V256 WeakPolarHBondContact CA-O 3.5Å; Q236-D257 VanDerWaalsContact NE2-CG 3.33Å; Q236-D257 PolarHBondContact NE2-OD1 3.08Å; Q236-D257 PolarHBondContact NE2-OD2 2.93Å; Q236-I328 CarbonylContact O-C 3.57Å; Q236-I328 VanDerWaalsContact O-CA 3.31Å; Q236-I328 WeakPolarHBondContact O-CA 3.12Å; Q236-R329 HydrophobicContact CB-CB 4.44Å; Q236-R329 PolarHBondContact N-O 3.07Å; Q236-R329 PolarHBondContact O-N 2.87Å
237V96.2Very high90.8Very high0 Ų040.2 Ų40.20%018%0.183CC..EExtended strand (participates in β ladder)trans-100.8117.2163.3-178.40000107.2I255 V256 L279 P281 Y326 M327 I328 I347V237-I255 PolarHBondContact O-N 2.76Å; V237-V256 HydrophobicContact CB-CB 3.84Å; V237-V256 HydrophobicContact CB-CG2 3.97Å; V237-V256 HydrophobicContact CG2-CB 3.83Å; V237-V256 HydrophobicContact CG2-CG2 3.93Å; V237-V256 PolarHBondContact N-O 3.25Å; V237-V256 PolarHBondContact O-N 3.35Å; V237-L279 HydrophobicContact CG2-CB 3.97Å; V237-L279 HydrophobicContact CG2-CD1 3.92Å; V237-L279 HydrophobicContact CG2-CG 4.49Å; V237-P281 HydrophobicContact CG1-CB 4.17Å; V237-Y326 HydrophobicContact CG1-CD1 4.46Å; V237-M327 WeakPolarHBondContact CA-O 3.38Å; V237-I328 HydrophobicContact CG2-CG1 4.39Å; V237-I347 HydrophobicContact CG1-CD1 4.37Å
238I95.2Very high90.4Very high1 Ų145.7 Ų45.71%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-113.7126.5-171.7-51.9-179.5000109.1Q236 N240 H252 C253 N254 Y326 M327 R329Q236-I238 HydrophobicContact CB-CD1 4.2Å; Q236-I238 HydrophobicContact CB-CG1 3.92Å; I238-N240 WeakPolarHBondContact CG2-OD1 3.25Å; I238-H252 HydrophobicContact CG2-CB 4.16Å; I238-C253 CarbonylContact C-O 3.57Å; I238-C253 VanDerWaalsContact CA-O 3.31Å; I238-C253 WeakPolarHBondContact CA-O 3.44Å; I238-N254 WeakPolarHBondContact CG1-OD1 3.43Å; I238-Y326 WeakPolarHBondContact O-CA 3.31Å; I238-M327 HydrophobicContact CB-CE 4.2Å; I238-M327 HydrophobicContact CB-CG 3.99Å; I238-M327 HydrophobicContact CD1-CE 3.71Å; I238-M327 HydrophobicContact CG1-CE 4.44Å; I238-M327 HydrophobicContact CG2-CE 4.38Å; I238-M327 PolarHBondContact N-O 3.29Å; I238-M327 PolarHBondContact O-N 3.06Å; I238-R329 HydrophobicContact CD1-CB 3.81Å; I238-R329 HydrophobicContact CD1-CG 4.46Å
239Q95.7Very high90.1Very high0 Ų052 Ų520%022%0.219CC..EExtended strand (participates in β ladder)trans-89.9114.7165.8-176.5-168.972.700109.2V241 C253 I255 I292 A293 V324 Q325 Y326Q239-V241 HydrophobicContact CG-CG2 3.85Å; Q239-C253 HydrophobicContact CB-CB 4.4Å; Q239-C253 PolarHBondContact N-O 3.38Å; Q239-C253 PolarHBondContact O-N 3.27Å; Q239-I255 HydrophobicContact CB-CD1 3.56Å; Q239-I255 HydrophobicContact CB-CG1 4.24Å; Q239-I292 VanDerWaalsContact OE1-CG1 3.26Å; Q239-A293 PolarHBondContact NE2-O 2.81Å; Q239-V324 HydrophobicContact CG-CG1 3.71Å; Q239-Q325 CarbonylContact C-O 3.47Å; Q239-Q325 WeakPolarHBondContact CA-O 3.4Å; Q239-Y326 HydrophobicContact CB-CD1 4.24Å; Q239-Y326 HydrophobicContact CB-CE1 3.9Å; Q239-Y326 HydrophobicContact CG-CE1 4.06Å; Q239-Y326 HydrophobicContact CG-CE2 4.32Å; Q239-Y326 PolarHBondContact NE2-OH 2.8Å
240N95.4Very high90Very high21 Ų2153 Ų5311%0.11223%0.228CC..EExtended strand (participates in β ladder)trans-93.6122.5171.7-61.3-26000108.5I238 I251 H252 V324 Q325 M327I238-N240 WeakPolarHBondContact CG2-OD1 3.25Å; N240-I251 CarbonylContact C-O 3.55Å; N240-I251 WeakPolarHBondContact CA-O 3.08Å; N240-H252 PolarHBondContact OD1-ND1 3.28Å; N240-V324 WeakPolarHBondContact O-CA 3.27Å; N240-Q325 HydrophobicContact CB-CB 4.32Å; N240-Q325 PolarHBondContact N-O 2.82Å; N240-Q325 PolarHBondContact O-N 2.84Å; N240-M327 PolarHBondContact ND2-SD 2.85Å
241V93.9Very high89.8Confident2 Ų253.8 Ų53.81%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-117.9110.3179.1-176.40000108.5L131 Q239 T250 I251 A293 I322 I323L131-V241 HydrophobicContact CD2-CG1 3.83Å; Q239-V241 HydrophobicContact CG-CG2 3.85Å; V241-T250 CarbonylContact O-C 3.59Å; V241-T250 WeakPolarHBondContact O-CA 3.33Å; V241-I251 HydrophobicContact CB-CB 4.32Å; V241-I251 PolarHBondContact N-O 2.97Å; V241-I251 PolarHBondContact O-N 2.95Å; V241-A293 HydrophobicContact CG1-CB 4.31Å; V241-A293 HydrophobicContact CG2-CB 3.64Å; V241-I322 HydrophobicContact CG1-CG2 3.56Å; V241-I323 CarbonylContact C-O 3.57Å; V241-I323 WeakPolarHBondContact CA-O 3.03Å
242E92.5Very high89.6Confident40 Ų4052.8 Ų52.819%0.18723%0.232CC..EExtended strand (participates in β ladder)trans-100.2116.1174-178.6-173.616400109.5T244 K317 I322 I323E242-T244 HydrophobicContact CG-CG2 4.5Å; E242-K317 WeakPolarHBondContact OE1-CE 3.37Å; E242-K317 IonicContact OE1-NZ 3.28Å; E242-K317 PolarHBondContact OE1-NZ 3.32Å; E242-K317 VanDerWaalsContact OE2-CE 3.31Å; E242-K317 WeakPolarHBondContact OE2-CE 3.31Å; E242-K317 IonicContact OE2-NZ 2.72Å; E242-K317 PolarHBondContact OE2-NZ 3.23Å; E242-I322 CarbonylContact O-C 3.49Å; E242-I322 WeakPolarHBondContact O-CA 3.44Å; E242-I323 HydrophobicContact CB-CB 4.29Å; E242-I323 PolarHBondContact N-O 2.99Å; E242-I323 PolarHBondContact O-N 2.82Å
243I89Confident89.4Confident20 Ų2049.6 Ų49.610%0.10322%0.22CC..EExtended strand (participates in β ladder)trans-87.6119.4171.4-57.5174.1000107.6L131 L245 R248 R249 I251 G321L131-I243 HydrophobicContact CD1-CD1 3.66Å; L131-I243 HydrophobicContact CD1-CG1 4.17Å; I243-L245 HydrophobicContact CG2-CB 4.37Å; I243-R248 VanDerWaalsContact O-CA 3.29Å; I243-R248 WeakPolarHBondContact O-CA 3.48Å; I243-R249 PolarHBondContact N-O 3.46Å; I243-R249 PolarHBondContact O-N 3.02Å; I243-I251 HydrophobicContact CD1-CD1 4.31Å; I243-G321 CarbonylContact C-O 3.53Å; I243-G321 WeakPolarHBondContact CA-O 3.34Å
244T86Confident89.2Confident13 Ų1353 Ų538%0.0824%0.238CC..  trans-91.3-3.7-177.3650000113.6E242 E318 G321 I323E242-T244 HydrophobicContact CG-CG2 4.5Å; T244-E318 PolarHBondContact OG1-O 3.2Å; T244-G321 PolarHBondContact N-O 2.79Å; T244-G321 WeakPolarHBondContact OG1-CA 3.46Å; T244-G321 PolarHBondContact OG1-N 2.78Å; T244-G321 PolarHBondContact OG1-O 2.87Å; T244-I323 HydrophobicContact CG2-CD1 3.6Å; T244-I323 HydrophobicContact CG2-CG1 4.21Å
245L82Confident89Confident5 Ų550.9 Ų50.93%0.02623%0.229CC..SBendtrans-98.5140.3-173-54.8178.7000113.4F60 Y62 K78 F80 I243 K247F60-L245 HydrophobicContact CB-CD1 3.66Å; F60-L245 HydrophobicContact CD1-CD1 3.79Å; F60-L245 HydrophobicContact CD2-CD1 3.49Å; F60-L245 VanDerWaalsContact CD2-CD1 3.49Å; F60-L245 HydrophobicContact CE1-CD1 4.3Å; F60-L245 HydrophobicContact CE2-CD1 4Å; F60-L245 HydrophobicContact CG-CD1 3.36Å; F60-L245 HydrophobicContact CZ-CD1 4.4Å; Y62-L245 HydrophobicContact CE1-CB 4.49Å; Y62-L245 WeakPolarHBondContact OH-CD1 3.23Å; K78-L245 HydrophobicContact CD-CD1 4.13Å; K78-L245 HydrophobicContact CD-CD2 3.46Å; K78-L245 VanDerWaalsContact CD-CD2 3.46Å; K78-L245 HydrophobicContact CD-CG 4.36Å; F80-L245 HydrophobicContact CE1-CD2 4Å; F80-L245 HydrophobicContact CE2-CD1 4.33Å; F80-L245 HydrophobicContact CZ-CD1 3.69Å; F80-L245 HydrophobicContact CZ-CD2 3.87Å; F80-L245 HydrophobicContact CZ-CG 4.25Å; I243-L245 HydrophobicContact CG2-CB 4.37Å; L245-K247 CarbonylContact O-C 3.45Å; L245-K247 PolarHBondContact O-N 3.08Å
246F68.6Low88.8Confident180 Ų18051.2 Ų51.279%0.78923%0.231SC*.SBendtrans49.4-68.6176-70.3-79.6000116.1Y62Y62-F246 AromaticContact CE1-CD2 3.57Å; Y62-F246 HydrophobicContact CE1-CD2 3.57Å; Y62-F246 HydrophobicContact CE1-CE2 4.1Å; Y62-F246 HydrophobicContact CE2-CD2 4.02Å; Y62-F246 AromaticContact CE2-CE2 3.66Å; Y62-F246 HydrophobicContact CE2-CE2 3.66Å; Y62-F246 AromaticContact CZ-CD2 3.24Å; Y62-F246 AromaticContact CZ-CE2 3.31Å; Y62-F246 WeakPolarHBondContact OH-CD2 3.42Å; Y62-F246 WeakPolarHBondContact OH-CE2 3.28Å
247K71.1Confident88.7Confident184 Ų18454.5 Ų54.580%0.825%0.25SC*.SBendtrans-117.2101.2174.2-69.5-175.2-179.8-179.50107.9L245 R249L245-K247 CarbonylContact O-C 3.45Å; L245-K247 PolarHBondContact O-N 3.08Å; K247-R249 PolarHBondContact O-N 3.28Å; K247-R249 VanDerWaalsContact O-N 3.16Å
248R79.7Confident88.6Confident168 Ų16856.8 Ų56.863%0.63426%0.261SS*.  trans-56.6122.8176.2-66.2-177.1-173.5-175.80.3109I243 E318I243-R248 VanDerWaalsContact O-CA 3.29Å; I243-R248 WeakPolarHBondContact O-CA 3.48Å; R248-E318 IonicContact CZ-OE1 2.8Å; R248-E318 IonicContact NH2-OE1 3.42Å; R248-E318 PolarHBondContact NH2-OE1 3.09Å; R248-E318 IonicContact NH2-OE2 3.01Å
249R84.5Confident88.5Confident143 Ų14360.8 Ų60.854%0.5428%0.283SS..EExtended strand (participates in β ladder)trans-138.1132.9179.2-172.7179.5-178.6-178.70.9108.3I243 K247 I251I243-R249 PolarHBondContact N-O 3.46Å; I243-R249 PolarHBondContact O-N 3.02Å; K247-R249 PolarHBondContact O-N 3.28Å; K247-R249 VanDerWaalsContact O-N 3.16Å; R249-I251 HydrophobicContact CG-CG1 4.13Å
250T90.3Very high88.5Confident77 Ų7761.8 Ų61.847%0.47229%0.289SS..EExtended strand (participates in β ladder)trans-104.4132.5168.9-51.40000108.5V241V241-T250 CarbonylContact O-C 3.59Å; V241-T250 WeakPolarHBondContact O-CA 3.33Å
251I89.3Confident88.2Confident16 Ų1667.5 Ų67.58%0.08232%0.315CS..EExtended strand (participates in β ladder)trans-121.3135.6179-60170.5000106.4N240 V241 I243 R249 I291N240-I251 CarbonylContact C-O 3.55Å; N240-I251 WeakPolarHBondContact CA-O 3.08Å; V241-I251 HydrophobicContact CB-CB 4.32Å; V241-I251 PolarHBondContact N-O 2.97Å; V241-I251 PolarHBondContact O-N 2.95Å; I243-I251 HydrophobicContact CD1-CD1 4.31Å; R249-I251 HydrophobicContact CG-CG1 4.13Å; I251-I291 HydrophobicContact CD1-CB 4.2Å; I251-I291 HydrophobicContact CD1-CD1 3.95Å; I251-I291 HydrophobicContact CD1-CG2 3.82Å; I251-I291 HydrophobicContact CG2-CB 3.99Å; I251-I291 HydrophobicContact CG2-CG2 4.42Å
252H91.3Very high87.9Confident107 Ų10775 Ų7550%0.49535%0.347SS..EExtended strand (participates in β ladder)trans-116.1126.1177.4-57-80.1000108.4I238 N240I238-H252 HydrophobicContact CG2-CB 4.16Å; N240-H252 PolarHBondContact OD1-ND1 3.28Å
253C90.6Very high87.5Confident1 Ų175.5 Ų75.51%0.00736%0.363CS..EExtended strand (participates in β ladder)trans-122.8118.9178.4-1790000109.7I238 Q239 I255 T290I238-C253 CarbonylContact C-O 3.57Å; I238-C253 VanDerWaalsContact CA-O 3.31Å; I238-C253 WeakPolarHBondContact CA-O 3.44Å; Q239-C253 HydrophobicContact CB-CB 4.4Å; Q239-C253 PolarHBondContact N-O 3.38Å; Q239-C253 PolarHBondContact O-N 3.27Å; C253-I255 PolarHBondContact O-N 2.78Å; C253-T290 HydrophobicContact CB-CG2 3.78Å
254N91.7Very high87.6Confident70 Ų7075.8 Ų75.837%0.37436%0.363SS..EExtended strand (participates in β ladder)trans-79.2109.4173.6-57.8-19.6000108Q236 I238Q236-N254 PolarHBondContact NE2-ND2 3.23Å; I238-N254 WeakPolarHBondContact CG1-OD1 3.43Å
255I92.5Very high88Confident7 Ų778.4 Ų78.44%0.03638%0.381CS..EExtended strand (participates in β ladder)trans-84.5-44.3179.5-63.8161.8000110.4V237 Q239 C253 P281 I286 L305 Y326V237-I255 PolarHBondContact O-N 2.76Å; Q239-I255 HydrophobicContact CB-CD1 3.56Å; Q239-I255 HydrophobicContact CB-CG1 4.24Å; C253-I255 PolarHBondContact O-N 2.78Å; I255-P281 HydrophobicContact CG2-CB 3.92Å; I255-I286 HydrophobicContact CG1-CD1 4.25Å; I255-I286 HydrophobicContact CG2-CD1 4.02Å; I255-I286 HydrophobicContact CG2-CG1 4.28Å; I255-L305 HydrophobicContact CD1-CD1 3.88Å; I255-L305 HydrophobicContact CD1-CD2 4.44Å; I255-L305 HydrophobicContact CG2-CD1 4.04Å; I255-Y326 HydrophobicContact CD1-CD1 3.93Å; I255-Y326 HydrophobicContact CD1-CE1 3.36Å
256V93.6Very high88.5Confident7 Ų778.4 Ų78.44%0.04238%0.38CS..EExtended strand (participates in β ladder)trans-116.2134.6173.7-179.90000106.7Q236 V237 I258 L279Q236-V256 CarbonylContact C-O 3.53Å; Q236-V256 WeakPolarHBondContact CA-O 3.5Å; V237-V256 HydrophobicContact CB-CB 3.84Å; V237-V256 HydrophobicContact CB-CG2 3.97Å; V237-V256 HydrophobicContact CG2-CB 3.83Å; V237-V256 HydrophobicContact CG2-CG2 3.93Å; V237-V256 PolarHBondContact N-O 3.25Å; V237-V256 PolarHBondContact O-N 3.35Å; V256-I258 HydrophobicContact CG1-CD1 4.27Å; V256-I258 HydrophobicContact CG1-CG1 4.02Å; V256-L279 HydrophobicContact CG1-CD2 4.28Å
257D92.8Very high89.7Confident83 Ų8374.2 Ų74.244%0.44437%0.366SS..EExtended strand (participates in β ladder)trans-137.7105.7173.8-162.3-13.4000109K234 Q236K234-D257 WeakPolarHBondContact CE-OD1 3.19Å; K234-D257 WeakPolarHBondContact CE-OD2 3.26Å; K234-D257 IonicContact NZ-OD1 2.71Å; K234-D257 IonicContact NZ-OD2 3.53Å; K234-D257 PolarHBondContact NZ-OD2 3.03Å; K234-D257 VanDerWaalsContact NZ-OD2 3.11Å; Q236-D257 VanDerWaalsContact NE2-CG 3.33Å; Q236-D257 PolarHBondContact NE2-OD1 3.08Å; Q236-D257 PolarHBondContact NE2-OD2 2.93Å
258I94.3Very high90.7Very high48 Ų4867.2 Ų67.225%0.24634%0.343CS..EExtended strand (participates in β ladder)trans-109122.8176.3-60.2178.9000107.6K234 I235 V256 L279K234-I258 CarbonylContact C-O 3.57Å; K234-I258 WeakPolarHBondContact CA-O 3.41Å; I235-I258 HydrophobicContact CB-CB 4.38Å; I235-I258 PolarHBondContact N-O 3.09Å; I235-I258 PolarHBondContact O-N 2.9Å; V256-I258 HydrophobicContact CG1-CD1 4.27Å; V256-I258 HydrophobicContact CG1-CG1 4.02Å; I258-L279 HydrophobicContact CD1-CD2 3.46Å; I258-L279 VanDerWaalsContact CD1-CD2 3.46Å; I258-L279 HydrophobicContact CG1-CD2 4.47Å
259D94.7Very high91.3Very high85 Ų8565.3 Ų65.346%0.45534%0.339SS..EExtended strand (participates in β ladder)trans-116.9110.6169.4-156.1-23.8000107.7R232R232-D259 WeakPolarHBondContact CD-OD1 3.38Å; R232-D259 IonicContact CZ-OD1 2.72Å; R232-D259 IonicContact CZ-OD2 2.91Å; R232-D259 IonicContact NE-OD1 3.49Å; R232-D259 IonicContact NH1-OD1 2.99Å; R232-D259 PolarHBondContact NH1-OD1 2.98Å; R232-D259 IonicContact NH1-OD2 3.76Å; R232-D259 PolarHBondContact NH1-OD2 2.76Å
260T94.2Very high91.7Very high21 Ų2161.3 Ų61.313%0.12933%0.331CS..EExtended strand (participates in β ladder)trans-119.8129.5-173.2-177.30000111.9R232 L233 K262 F264 F277R232-T260 WeakPolarHBondContact CB-O 3.38Å; L233-T260 HydrophobicContact CB-CG2 3.81Å; L233-T260 PolarHBondContact N-O 3.36Å; L233-T260 VanDerWaalsContact N-O 3.1Å; L233-T260 PolarHBondContact O-N 3.21Å; T260-K262 PolarHBondContact OG1-N 2.81Å; T260-F264 HydrophobicContact CG2-CE2 4.41Å; T260-F277 HydrophobicContact CG2-CE1 3.78Å; T260-F277 HydrophobicContact CG2-CZ 3.95Å
261E90.7Very high91.9Very high140 Ų14061.6 Ų61.665%0.65433%0.333SS*.  trans-106.6-1.1169.5-56.9-175.6165.800111.2R232 G263 F264R232-E261 HydrophobicContact CB-CG 4.06Å; E261-G263 PolarHBondContact O-N 3.27Å; E261-F264 WeakPolarHBondContact O-CB 3.16Å; E261-F264 PolarHBondContact O-N 2.81Å; E261-F264 VanDerWaalsContact O-N 3.08Å
262K85.7Confident92.1Very high161 Ų16163.6 Ų63.670%0.736%0.357SS*.THydrogen-bonded Turntrans-68.1123.8178.6-172.9-174.5176.4-167.30110T260 F264T260-K262 PolarHBondContact OG1-N 2.81Å; K262-F264 VanDerWaalsContact C-N 3.29Å; K262-F264 WeakPolarHBondContact O-CD2 3.49Å
263G85.4Confident92.3Very high49 Ų4960 Ų6051%0.50534%0.339SS..THydrogen-bonded Turntrans78.712.2-175.300000113.9E261 W273E261-G263 PolarHBondContact O-N 3.27Å; G263-W273 PolarHBondContact O-NE1 3.35Å
264F91.6Very high92.6Very high27 Ų2763.5 Ų63.512%0.11836%0.358CS..  trans-114.4154.9175-69.5-88.2000111.3I222 V230 R231 L233 T260 E261 K262 I266 W273I222-F264 HydrophobicContact CD1-CZ 4.48Å; V230-F264 HydrophobicContact CB-CD1 4.34Å; V230-F264 HydrophobicContact CB-CE1 4.16Å; V230-F264 HydrophobicContact CG1-CD1 4.05Å; V230-F264 HydrophobicContact CG1-CE1 3.63Å; V230-F264 WeakPolarHBondContact O-CD1 3.38Å; R231-F264 WeakPolarHBondContact O-CB 3.46Å; L233-F264 HydrophobicContact CB-CE2 4.18Å; L233-F264 HydrophobicContact CB-CZ 4.07Å; L233-F264 HydrophobicContact CD1-CE1 4.4Å; L233-F264 HydrophobicContact CD1-CE2 3.81Å; L233-F264 HydrophobicContact CD1-CZ 3.34Å; L233-F264 HydrophobicContact CD2-CZ 4.5Å; L233-F264 HydrophobicContact CG-CE1 4.01Å; L233-F264 HydrophobicContact CG-CE2 3.89Å; L233-F264 HydrophobicContact CG-CZ 3.31Å; T260-F264 HydrophobicContact CG2-CE2 4.41Å; E261-F264 WeakPolarHBondContact O-CB 3.16Å; E261-F264 PolarHBondContact O-N 2.81Å; E261-F264 VanDerWaalsContact O-N 3.08Å; K262-F264 VanDerWaalsContact C-N 3.29Å; K262-F264 WeakPolarHBondContact O-CD2 3.49Å; F264-I266 HydrophobicContact CD1-CD1 4.26Å; F264-I266 HydrophobicContact CD1-CG1 3.9Å; F264-I266 HydrophobicContact CE1-CD1 3.51Å; F264-I266 HydrophobicContact CE1-CG1 3.67Å; F264-I266 HydrophobicContact CZ-CD1 3.92Å; F264-I266 HydrophobicContact CZ-CG1 4.33Å; F264-W273 HydrophobicContact CE2-CH2 4.29Å; F264-W273 AromaticContact CE2-CZ2 3.71Å; F264-W273 HydrophobicContact CE2-CZ2 3.71Å; F264-W273 HydrophobicContact CZ-CH2 4.14Å; F264-W273 AromaticContact CZ-CZ2 3.77Å; F264-W273 HydrophobicContact CZ-CZ2 3.77Å
265P92.8Very high92.8Very high68 Ų6864 Ų6444%0.44236%0.358SS..  cis-71149.90.731.3-35.2000113.1I229 V230 D267I229-P265 HydrophobicContact CB-CB 4.36Å; V230-P265 CarbonylContact O-C 3.34Å; V230-P265 WeakPolarHBondContact O-CA 3.37Å; V230-P265 WeakPolarHBondContact O-CB 3.33Å; P265-D267 PolarHBondContact O-N 3.19Å
266I93.2Very high93Very high4 Ų468.2 Ų68.22%0.02138%0.379CS..BIsolated β-bridgetrans-84.8107.4161.5-58.1173.1000105.7I222 N224 I229 V230 F264 T270 W273I222-I266 HydrophobicContact CB-CD1 3.93Å; I222-I266 HydrophobicContact CD1-CD1 3.8Å; I222-I266 HydrophobicContact CG1-CD1 4.43Å; I222-I266 HydrophobicContact CG2-CD1 3.78Å; N224-I266 HydrophobicContact CB-CG2 3.82Å; N224-I266 PolarHBondContact ND2-O 3.1Å; I229-I266 WeakPolarHBondContact CA-O 3.46Å; V230-I266 HydrophobicContact CB-CB 4.1Å; V230-I266 HydrophobicContact CG2-CB 4.43Å; V230-I266 PolarHBondContact N-O 2.66Å; V230-I266 PolarHBondContact O-N 2.77Å; F264-I266 HydrophobicContact CD1-CD1 4.26Å; F264-I266 HydrophobicContact CD1-CG1 3.9Å; F264-I266 HydrophobicContact CE1-CD1 3.51Å; F264-I266 HydrophobicContact CE1-CG1 3.67Å; F264-I266 HydrophobicContact CZ-CD1 3.92Å; F264-I266 HydrophobicContact CZ-CG1 4.33Å; I266-T270 HydrophobicContact CG2-CG2 4.24Å; I266-W273 HydrophobicContact CD1-CB 3.95Å; I266-W273 HydrophobicContact CD1-CD2 3.76Å; I266-W273 HydrophobicContact CD1-CE3 4.36Å; I266-W273 HydrophobicContact CD1-CG 3.55Å; I266-W273 HydrophobicContact CG1-CG 4.1Å
267D93.8Very high93.1Very high92 Ų9269.1 Ų69.149%0.49238%0.383SS..  trans-65.3157.7-177.4-70.4-40.4000111.9N224 P265 T270N224-D267 PolarHBondContact ND2-O 3.41Å; P265-D267 PolarHBondContact O-N 3.19Å; D267-T270 WeakPolarHBondContact O-CB 3.48Å; D267-T270 PolarHBondContact O-N 3.41Å; D267-T270 PolarHBondContact O-OG1 3.5Å
268A91.5Very high93.3Very high38 Ų3870.6 Ų70.631%0.31439%0.387SS..THydrogen-bonded Turntrans-53.6142.1173.500000110.9S226 N228 T270S226-A268 WeakPolarHBondContact O-CA 3.36Å; S226-A268 WeakPolarHBondContact O-CB 3.5Å; N228-A268 WeakPolarHBondContact O-CA 3.29Å; A268-T270 PolarHBondContact O-N 3.14Å
269K92.6Very high93.4Very high128 Ų12868.3 Ų68.356%0.55738%0.375SS*.THydrogen-bonded Turntrans61.723-179.2-48.3-59.2179.8178.20114.7N224 E225 S226N224-K269 CarbonylContact O-C 3.54Å; N224-K269 WeakPolarHBondContact O-CA 3.45Å; N224-K269 PolarHBondContact O-N 3.34Å; E225-K269 PolarHBondContact O-NZ 2.67Å; S226-K269 PolarHBondContact O-N 2.95Å
270T94.3Very high93.4Very high58 Ų5870.2 Ų70.236%0.35638%0.376SS..EExtended strand (participates in β ladder)trans-97.9127.2173.1-52.90000110.1N224 I266 D267 A268N224-T270 WeakPolarHBondContact CA-O 3.28Å; N224-T270 WeakPolarHBondContact CB-O 3.03Å; N224-T270 PolarHBondContact N-O 2.9Å; N224-T270 PolarHBondContact O-N 3.14Å; I266-T270 HydrophobicContact CG2-CG2 4.24Å; D267-T270 WeakPolarHBondContact O-CB 3.48Å; D267-T270 PolarHBondContact O-N 3.41Å; D267-T270 PolarHBondContact O-OG1 3.5Å; A268-T270 PolarHBondContact O-N 3.14Å
271T94.1Very high93.3Very high84 Ų8469.3 Ų69.352%0.51537%0.37SS..EExtended strand (participates in β ladder)trans-122.4163.3179.158.50000111.6D223 E225D223-T271 HydrophobicContact CB-CG2 4.05Å; D223-T271 WeakPolarHBondContact OD1-CA 3.42Å; D223-T271 WeakPolarHBondContact OD1-CB 3.3Å; E225-T271 HydrophobicContact CG-CG2 4.15Å
272G93.4Very high93.2Very high57 Ų5763.5 Ų63.559%0.58835%0.345SS*.EExtended strand (participates in β ladder)trans78.517175.600000115.1D223 N274D223-G272 PolarHBondContact OD1-N 2.98Å; G272-N274 PolarHBondContact O-N 2.89Å
273W95.7Very high93Very high32 Ų3258.4 Ų58.412%0.12133%0.326CS..EExtended strand (participates in β ladder)trans-65.6132.5171.9-175.798.1000109.3L220 L221 I222 L233 G263 F264 I266 E275 F277L220-W273 HydrophobicContact CB-CZ3 3.92Å; L221-W273 CarbonylContact C-O 3.57Å; L221-W273 VanDerWaalsContact CA-O 3.27Å; L221-W273 WeakPolarHBondContact CA-O 3.35Å; I222-W273 HydrophobicContact CB-CB 4.22Å; I222-W273 HydrophobicContact CB-CD2 4.49Å; I222-W273 HydrophobicContact CB-CE3 3.96Å; I222-W273 HydrophobicContact CD1-CD2 4.42Å; I222-W273 HydrophobicContact CD1-CE3 3.72Å; I222-W273 HydrophobicContact CD1-CH2 4.45Å; I222-W273 HydrophobicContact CD1-CZ3 3.74Å; I222-W273 HydrophobicContact CG1-CE3 3.69Å; I222-W273 HydrophobicContact CG1-CZ3 4.02Å; I222-W273 PolarHBondContact N-O 3.29Å; I222-W273 PolarHBondContact O-N 3.48Å; L233-W273 HydrophobicContact CD1-CH2 3.52Å; L233-W273 HydrophobicContact CD1-CZ2 4.28Å; L233-W273 HydrophobicContact CD1-CZ3 4Å; G263-W273 PolarHBondContact O-NE1 3.35Å; F264-W273 HydrophobicContact CE2-CH2 4.29Å; F264-W273 AromaticContact CE2-CZ2 3.71Å; F264-W273 HydrophobicContact CE2-CZ2 3.71Å; F264-W273 HydrophobicContact CZ-CH2 4.14Å; F264-W273 AromaticContact CZ-CZ2 3.77Å; F264-W273 HydrophobicContact CZ-CZ2 3.77Å; I266-W273 HydrophobicContact CD1-CB 3.95Å; I266-W273 HydrophobicContact CD1-CD2 3.76Å; I266-W273 HydrophobicContact CD1-CE3 4.36Å; I266-W273 HydrophobicContact CD1-CG 3.55Å; I266-W273 HydrophobicContact CG1-CG 4.1Å; W273-E275 HydrophobicContact CH2-CB 3.51Å; W273-E275 HydrophobicContact CH2-CG 3.71Å; W273-E275 HydrophobicContact CZ2-CB 3.84Å; W273-E275 HydrophobicContact CZ2-CG 3.46Å; W273-E275 VanDerWaalsContact CZ2-CG 3.46Å; W273-E275 HydrophobicContact CZ3-CB 3.96Å; W273-E275 HydrophobicContact CZ3-CG 4.37Å; W273-F277 HydrophobicContact CH2-CE2 4.02Å; W273-F277 HydrophobicContact CH2-CZ 4.14Å
274N95.6Very high92.6Very high75 Ų7565 Ų6540%0.40134%0.343SS..EExtended strand (participates in β ladder)trans-149.9122.1-172.6172.929.3000110.9K219 L220 L221 G272K219-N274 WeakPolarHBondContact CE-OD1 3.04Å; L220-N274 WeakPolarHBondContact O-CA 3.31Å; L221-N274 HydrophobicContact CD2-CB 4.02Å; G272-N274 PolarHBondContact O-N 2.89Å
275E96.3Very high91.5Very high80 Ų8068.4 Ų68.437%0.37436%0.359SS..EExtended strand (participates in β ladder)trans-143.1155.3177.1-77.8-68.3174.600111.7K219 L220 W273 F277K219-E275 WeakPolarHBondContact CA-O 3.03Å; L220-E275 PolarHBondContact N-O 2.82Å; L220-E275 PolarHBondContact O-N 2.77Å; L220-E275 VanDerWaalsContact O-N 3.07Å; W273-E275 HydrophobicContact CH2-CB 3.51Å; W273-E275 HydrophobicContact CH2-CG 3.71Å; W273-E275 HydrophobicContact CZ2-CB 3.84Å; W273-E275 HydrophobicContact CZ2-CG 3.46Å; W273-E275 VanDerWaalsContact CZ2-CG 3.46Å; W273-E275 HydrophobicContact CZ3-CB 3.96Å; W273-E275 HydrophobicContact CZ3-CG 4.37Å; E275-F277 HydrophobicContact CB-CE2 3.91Å; E275-F277 HydrophobicContact CB-CZ 4.24Å
276I96.6Very high90.3Very high95 Ų9567.2 Ų67.249%0.48735%0.349SS..EExtended strand (participates in β ladder)trans-116.9122.1177.1-56.9177.2000109.7P217 L218 K219P217-I276 HydrophobicContact CB-CG2 4.39Å; L218-I276 CarbonylContact O-C 3.52Å; L218-I276 WeakPolarHBondContact O-CA 3.36Å; K219-I276 HydrophobicContact CB-CG1 4.07Å; K219-I276 HydrophobicContact CG-CG1 4.11Å
277F97Very high88.5Confident27 Ų2778.4 Ų78.412%0.11839%0.391CS..EExtended strand (participates in β ladder)trans-101.7135.3176.2-63.3-86.8000110.6P217 L218 L220 L233 I235 T260 W273 E275 L279P217-F277 WeakPolarHBondContact CA-O 3.48Å; L218-F277 HydrophobicContact CB-CB 4.42Å; L218-F277 PolarHBondContact N-O 3.28Å; L218-F277 PolarHBondContact O-N 3.11Å; L220-F277 HydrophobicContact CB-CE2 4.48Å; L220-F277 HydrophobicContact CD1-CD2 3.98Å; L220-F277 HydrophobicContact CD1-CE2 3.82Å; L220-F277 HydrophobicContact CG-CD2 4.22Å; L220-F277 HydrophobicContact CG-CE2 4.31Å; L233-F277 HydrophobicContact CD1-CE2 4.42Å; L233-F277 HydrophobicContact CD1-CZ 4.36Å; I235-F277 HydrophobicContact CD1-CB 4.15Å; I235-F277 HydrophobicContact CD1-CD1 3.63Å; I235-F277 HydrophobicContact CD1-CD2 3.43Å; I235-F277 VanDerWaalsContact CD1-CD2 3.43Å; I235-F277 HydrophobicContact CD1-CE1 3.83Å; I235-F277 HydrophobicContact CD1-CE2 3.64Å; I235-F277 HydrophobicContact CD1-CG 3.42Å; I235-F277 VanDerWaalsContact CD1-CG 3.42Å; I235-F277 HydrophobicContact CD1-CZ 3.83Å; T260-F277 HydrophobicContact CG2-CE1 3.78Å; T260-F277 HydrophobicContact CG2-CZ 3.95Å; W273-F277 HydrophobicContact CH2-CE2 4.02Å; W273-F277 HydrophobicContact CH2-CZ 4.14Å; E275-F277 HydrophobicContact CB-CE2 3.91Å; E275-F277 HydrophobicContact CB-CZ 4.24Å; F277-L279 HydrophobicContact CB-CD2 4.21Å
278Q96.4Very high86.7Confident114 Ų11477.3 Ų77.353%0.53340%0.401SS..EExtended strand (participates in β ladder)trans-101.9100.1177.3-63.3-62.5-17.100108.8T215T215-Q278 HydrophobicContact CG2-CB 3.72Å; T215-Q278 HydrophobicContact CG2-CG 4.43Å
279L95.7Very high85Confident0 Ų081.9 Ų81.90%042%0.416CS..EExtended strand (participates in β ladder)trans-95.4125.7-178-46.2175.4000109.3I216 L218 I235 V237 V256 I258 F277 I328I216-L279 HydrophobicContact CB-CB 4.2Å; I216-L279 WeakPolarHBondContact CB-O 3.35Å; I216-L279 PolarHBondContact N-O 2.83Å; I216-L279 PolarHBondContact O-N 3.11Å; L218-L279 HydrophobicContact CB-CD1 4.14Å; L218-L279 HydrophobicContact CB-CG 4.49Å; L218-L279 HydrophobicContact CD2-CD1 4.08Å; I235-L279 HydrophobicContact CG2-CD1 3.93Å; I235-L279 HydrophobicContact CG2-CD2 3.81Å; V237-L279 HydrophobicContact CG2-CB 3.97Å; V237-L279 HydrophobicContact CG2-CD1 3.92Å; V237-L279 HydrophobicContact CG2-CG 4.49Å; V256-L279 HydrophobicContact CG1-CD2 4.28Å; I258-L279 HydrophobicContact CD1-CD2 3.46Å; I258-L279 VanDerWaalsContact CD1-CD2 3.46Å; I258-L279 HydrophobicContact CG1-CD2 4.47Å; F277-L279 HydrophobicContact CB-CD2 4.21Å; L279-I328 HydrophobicContact CD1-CD1 4.05Å; L279-I328 HydrophobicContact CD1-CG1 4.29Å; L279-I328 HydrophobicContact CD1-CG2 3.84Å
280R94.4Very high83.8Confident124 Ų12478.7 Ų78.747%0.46841%0.408SS..  trans-123.191.4-179.6-166.3177.5-171.4-179.11.5111.2G213 S282G213-R280 PolarHBondContact O-NE 2.94Å; G213-R280 VanDerWaalsContact O-NE 3.09Å; G213-R280 PolarHBondContact O-NH2 3.26Å; G213-R280 VanDerWaalsContact O-NH2 3.08Å; R280-S282 PolarHBondContact O-N 2.94Å
281P92.6Very high83Confident2 Ų277.3 Ų77.31%0.01340%0.398CS..  trans-65.9105.1176.427-32.1000109.8I216 V237 I255 L305 L349I216-P281 HydrophobicContact CD1-CG 3.94Å; V237-P281 HydrophobicContact CG1-CB 4.17Å; I255-P281 HydrophobicContact CG2-CB 3.92Å; P281-L305 HydrophobicContact CB-CD1 4.13Å; P281-L349 HydrophobicContact CB-CD2 4.45Å; P281-L349 HydrophobicContact CG-CD1 4.17Å; P281-L349 HydrophobicContact CG-CD2 4.42Å
282S88Confident82.8Confident18 Ų1873.7 Ų73.713%0.12638%0.375CS..  trans-135.7147.5-179.283.20000111.1R280 Q284 E285 I286R280-S282 PolarHBondContact O-N 2.94Å; S282-Q284 PolarHBondContact O-N 2.78Å; S282-E285 PolarHBondContact O-N 2.74Å; S282-I286 VanDerWaalsContact O-CG1 3.31Å; S282-I286 WeakPolarHBondContact O-CG1 3.49Å
283L82.7Confident82.8Confident55 Ų5571 Ų7129%0.28835%0.347SS..THydrogen-bonded Turntrans-65.2-23175.7-174.762.2000112.5E285 I286 L294 L298L283-E285 VanDerWaalsContact C-N 3.35Å; L283-I286 HydrophobicContact CD1-CD1 4.19Å; L283-L294 HydrophobicContact CD1-CD2 3.7Å; L283-L294 HydrophobicContact CD2-CD2 4.49Å; L283-L298 HydrophobicContact CD1-CD2 4.09Å; L283-L298 HydrophobicContact CD2-CD2 3.74Å; L283-L298 HydrophobicContact CG-CD2 4.34Å
284Q75.8Confident82.7Confident188 Ų18869.5 Ų69.588%0.87934%0.341SS*.THydrogen-bonded Turntrans-72.3-28.4-176.4-64.1-179.6-1.600112.8S282S282-Q284 PolarHBondContact O-N 2.78Å
285E68.3Low82.5Confident98 Ų9866 Ų6646%0.45832%0.323SS..SBendtrans-86.8-10.1-176.5-72.8174.4-144.800113.3S282 L283 R287S282-E285 PolarHBondContact O-N 2.74Å; L283-E285 VanDerWaalsContact C-N 3.35Å; E285-R287 PolarHBondContact O-N 2.92Å
286I69.3Low82.1Confident42 Ų4262.5 Ų62.522%0.21531%0.308CS..  trans-76.3102-172.6-51.2-171.4000109.3I255 S282 L283 I292 L305I255-I286 HydrophobicContact CG1-CD1 4.25Å; I255-I286 HydrophobicContact CG2-CD1 4.02Å; I255-I286 HydrophobicContact CG2-CG1 4.28Å; S282-I286 VanDerWaalsContact O-CG1 3.31Å; S282-I286 WeakPolarHBondContact O-CG1 3.49Å; L283-I286 HydrophobicContact CD1-CD1 4.19Å; I286-I292 HydrophobicContact CD1-CD1 3.07Å; I286-I292 HydrophobicContact CG1-CD1 4.47Å; I286-L305 HydrophobicContact CD1-CD2 3.88Å
287R53.9Low81.5Confident239 Ų23959.5 Ų59.590%0.90229%0.291SS*.  trans-94.6133.3173.7-63.6-176.8-177.2-1791.9109.9E285E285-R287 PolarHBondContact O-N 2.92Å
288G56.7Low80.8Confident69 Ų6961.8 Ų61.871%0.71131%0.305SS*.SBendtrans95.6-168.5162.400000116.4T290G288-T290 PolarHBondContact O-N 2.87Å
289Q55.1Low80.1Confident134 Ų13460.9 Ų60.963%0.62630%0.299SS*.SBendtrans-92.279-162.3-61.8-179.8-59.500111.3D134D134-Q289 HydrophobicContact CB-CB 4.28Å; D134-Q289 WeakPolarHBondContact OD2-CB 3.44Å; D134-Q289 WeakPolarHBondContact OD2-CG 3.39Å; D134-Q289 PolarHBondContact OD2-NE2 2.75Å
290T67.5Low79.6Confident62 Ų6262.9 Ų62.938%0.3831%0.308SS..  trans-136.9138.2174.8-49.40000111.1C253 G288 I292C253-T290 HydrophobicContact CB-CG2 3.78Å; G288-T290 PolarHBondContact O-N 2.87Å; T290-I292 PolarHBondContact O-N 2.91Å
291I78.8Confident79.2Confident29 Ų2962.1 Ų62.115%0.14931%0.31CS..  trans-67.9124.4173.9-59.2169.7000107.9L131 Q132 M133 I251L131-I291 HydrophobicContact CB-CG2 4.47Å; Q132-I291 VanDerWaalsContact O-CA 3.3Å; Q132-I291 WeakPolarHBondContact O-CA 3.48Å; M133-I291 HydrophobicContact CG-CD1 4.49Å; M133-I291 HydrophobicContact CG-CG1 4.3Å; M133-I291 HydrophobicContact CG-CG2 4.45Å; I251-I291 HydrophobicContact CD1-CB 4.2Å; I251-I291 HydrophobicContact CD1-CD1 3.95Å; I251-I291 HydrophobicContact CD1-CG2 3.82Å; I251-I291 HydrophobicContact CG2-CB 3.99Å; I251-I291 HydrophobicContact CG2-CG2 4.42Å
292I89Confident79.1Confident8 Ų864.3 Ų64.34%0.04132%0.321CS..EExtended strand (participates in β ladder)trans-127.5142.4-178.9-168172.1000110.9Q132 Q239 I286 T290 L294 L305Q132-I292 HydrophobicContact CB-CG2 3.87Å; Q132-I292 PolarHBondContact N-O 2.95Å; Q132-I292 PolarHBondContact O-N 2.84Å; Q239-I292 VanDerWaalsContact OE1-CG1 3.26Å; I286-I292 HydrophobicContact CD1-CD1 3.07Å; I286-I292 HydrophobicContact CG1-CD1 4.47Å; T290-I292 PolarHBondContact O-N 2.91Å; I292-L294 HydrophobicContact CD1-CD2 4.37Å; I292-L294 HydrophobicContact CG1-CD2 4.36Å; I292-L294 HydrophobicContact CG2-CD2 4.06Å; I292-L294 HydrophobicContact CG2-CG 4.24Å; I292-L305 HydrophobicContact CD1-CD2 3.34Å; I292-L305 HydrophobicContact CG1-CD2 4.16Å
293A92.8Very high79.2Confident0 Ų064 Ų640%032%0.319CS..EExtended strand (participates in β ladder)trans-88125.8172.200000110.5I129 L131 Q239 V241 A306 V324I129-A293 HydrophobicContact CG2-CB 3.82Å; L131-A293 HydrophobicContact CD2-CB 3.93Å; Q239-A293 PolarHBondContact NE2-O 2.81Å; V241-A293 HydrophobicContact CG1-CB 4.31Å; V241-A293 HydrophobicContact CG2-CB 3.64Å; A293-A306 HydrophobicContact CB-CB 3.72Å; A293-A306 WeakPolarHBondContact O-CB 3.34Å; A293-A306 PolarHBondContact O-N 2.77Å; A293-V324 HydrophobicContact CB-CG2 3.85Å
294L93.5Very high79.6Confident0 Ų064.1 Ų64.10%032%0.32CS..EExtended strand (participates in β ladder)trans-118.5155.4178.7-54.9177.7000109.7I129 T130 Q132 L283 I292 G296 L298 T303 N304 L305I129-L294 CarbonylContact C-O 3.57Å; I129-L294 WeakPolarHBondContact CA-O 3.42Å; T130-L294 PolarHBondContact N-O 2.75Å; T130-L294 PolarHBondContact O-N 3.03Å; Q132-L294 HydrophobicContact CB-CD1 3.92Å; Q132-L294 HydrophobicContact CB-CG 4.46Å; L283-L294 HydrophobicContact CD1-CD2 3.7Å; L283-L294 HydrophobicContact CD2-CD2 4.49Å; I292-L294 HydrophobicContact CD1-CD2 4.37Å; I292-L294 HydrophobicContact CG1-CD2 4.36Å; I292-L294 HydrophobicContact CG2-CD2 4.06Å; I292-L294 HydrophobicContact CG2-CG 4.24Å; L294-G296 WeakPolarHBondContact CB-O 3.09Å; L294-G296 PolarHBondContact O-N 2.9Å; L294-L298 HydrophobicContact CD1-CD2 3.47Å; L294-L298 VanDerWaalsContact CD1-CD2 3.47Å; L294-L298 HydrophobicContact CD1-CG 3.7Å; L294-T303 HydrophobicContact CB-CG2 3.99Å; L294-T303 HydrophobicContact CD1-CG2 4.17Å; L294-N304 WeakPolarHBondContact CA-O 3.14Å; L294-L305 HydrophobicContact CD2-CD2 4.3Å
295D91.7Very high80.5Confident2 Ų255.4 Ų55.41%0.01128%0.279CS..SBendtrans-80.1-5.7172.264.928000113.4R170 L172 T303 N304 H351R170-D295 WeakPolarHBondContact CD-O 3.23Å; R170-D295 IonicContact NH1-OD1 2.65Å; R170-D295 PolarHBondContact NH1-OD1 2.83Å; L172-D295 HydrophobicContact CD2-CB 3.73Å; D295-T303 WeakPolarHBondContact OD1-CA 3.38Å; D295-N304 PolarHBondContact N-O 3.11Å; D295-N304 PolarHBondContact OD1-N 3.16Å; D295-N304 VanDerWaalsContact OD2-CB 3.29Å; D295-N304 WeakPolarHBondContact OD2-CB 3.13Å; D295-N304 PolarHBondContact OD2-N 2.93Å; D295-H351 IonicContact OD2-CE1 2.67Å; D295-H351 PolarHBondContact OD2-CE1 2.64Å; D295-H351 IonicContact OD2-NE2 3.93Å; D295-H351 PolarHBondContact OD2-NE2 2.9Å; D295-H351 VanDerWaalsContact OD2-NE2 3.07Å
296G88.9Confident81.8Confident6 Ų650.7 Ų50.76%0.06226%0.257CS..SBendtrans-156.9-166.1-169.800000111.6T130 L294T130-G296 WeakPolarHBondContact CB-O 3.48Å; T130-G296 PolarHBondContact OG1-O 3.37Å; L294-G296 WeakPolarHBondContact CB-O 3.09Å; L294-G296 PolarHBondContact O-N 2.9Å
297K84.5Confident83.1Confident32 Ų3249.2 Ų49.214%0.13925%0.25CS..  trans-103.6134.2-179.9-54.7-170.2177.2-1700108.6P143 E147 K299 H300 T303P143-K297 HydrophobicContact CG-CD 3.96Å; P143-K297 HydrophobicContact CG-CG 4.08Å; E147-K297 WeakPolarHBondContact OE1-CE 3.22Å; E147-K297 IonicContact OE1-NZ 3.66Å; E147-K297 PolarHBondContact OE1-NZ 2.71Å; K297-K299 HydrophobicContact CB-CG 4.13Å; K297-K299 PolarHBondContact O-N 3.18Å; K297-H300 WeakPolarHBondContact O-CB 3.41Å; K297-H300 PolarHBondContact O-N 2.71Å; K297-T303 PolarHBondContact N-OG1 3.14Å; K297-T303 PolarHBondContact O-OG1 2.9Å
298L82.1Confident85.1Confident76 Ų7638.1 Ų38.140%0.39821%0.209SC..THydrogen-bonded Turntrans-47.9-29.5-179.5-76.8-173.6000115.3Q132 L283 L294 H300 T377Q132-L298 HydrophobicContact CG-CD1 3.61Å; Q132-L298 HydrophobicContact CG-CG 4.11Å; L283-L298 HydrophobicContact CD1-CD2 4.09Å; L283-L298 HydrophobicContact CD2-CD2 3.74Å; L283-L298 HydrophobicContact CG-CD2 4.34Å; L294-L298 HydrophobicContact CD1-CD2 3.47Å; L294-L298 VanDerWaalsContact CD1-CD2 3.47Å; L294-L298 HydrophobicContact CD1-CG 3.7Å; L298-H300 PolarHBondContact O-N 2.84Å; L298-T377 PolarHBondContact O-OG1 2.84Å
299K81.2Confident86.9Confident95 Ų9535.7 Ų35.741%0.41318%0.181SC..THydrogen-bonded Turntrans-69.4-15.517767.9180176.5-177.30114.4D141 K297 S376 T377D141-K299 IonicContact OD1-NZ 2.77Å; D141-K299 PolarHBondContact OD1-NZ 3.41Å; K297-K299 HydrophobicContact CB-CG 4.13Å; K297-K299 PolarHBondContact O-N 3.18Å; K299-S376 CarbonylContact O-C 3.59Å; K299-S376 WeakPolarHBondContact O-CA 3.04Å; K299-T377 PolarHBondContact O-N 2.98Å; K299-T377 PolarHBondContact O-OG1 3.29Å
300H85.6Confident88.7Confident41 Ų4131.6 Ų31.619%0.1916%0.163CC..BIsolated β-bridgetrans-95.9133.8178.7-50.4142.3000110.4K297 L298 D302 T303 R374 P375K297-H300 WeakPolarHBondContact O-CB 3.41Å; K297-H300 PolarHBondContact O-N 2.71Å; L298-H300 PolarHBondContact O-N 2.84Å; H300-D302 VanDerWaalsContact C-N 3.25Å; H300-D302 WeakPolarHBondContact CB-OD1 3.31Å; H300-D302 PolarHBondContact O-N 3.25Å; H300-T303 WeakPolarHBondContact O-CB 3.46Å; H300-T303 PolarHBondContact O-N 2.99Å; H300-T303 PolarHBondContact O-OG1 2.83Å; H300-T303 VanDerWaalsContact O-OG1 3.06Å; H300-R374 HydrophobicContact CB-CB 4.25Å; H300-P375 WeakPolarHBondContact CA-O 3.23Å
301Q86.3Confident89.8Confident109 Ų10929.5 Ų29.551%0.50915%0.149SC..THydrogen-bonded Turntrans-63.8-29.4-176.3-177.1179.93.600113.7T303 P375Q301-T303 VanDerWaalsContact C-N 3.3Å; Q301-T303 PolarHBondContact O-N 3.15Å; Q301-P375 HydrophobicContact CB-CB 4.38Å; Q301-P375 PolarHBondContact N-O 2.82Å; Q301-P375 VanDerWaalsContact N-O 3.15Å
302D89Confident90.1Very high47 Ų4734.7 Ų34.725%0.25117%0.171SC..THydrogen-bonded Turntrans-93.822.5-175.861.8-22.2000113.1R170 H300 R374R170-D302 PolarHBondContact NH1-O 3.4Å; R170-D302 PolarHBondContact NH2-O 2.95Å; R170-D302 IonicContact NH2-OD2 2.65Å; R170-D302 PolarHBondContact NH2-OD2 2.8Å; H300-D302 VanDerWaalsContact C-N 3.25Å; H300-D302 WeakPolarHBondContact CB-OD1 3.31Å; H300-D302 PolarHBondContact O-N 3.25Å; D302-R374 WeakPolarHBondContact OD1-CD 3.49Å; D302-R374 WeakPolarHBondContact OD2-CD 3.4Å; D302-R374 IonicContact OD2-CZ 3.59Å; D302-R374 IonicContact OD2-NE 3.98Å; D302-R374 IonicContact OD2-NH1 3.25Å; D302-R374 PolarHBondContact OD2-NH1 2.83Å
303T90Very high90Very high11 Ų1136.5 Ų36.57%0.06718%0.18CC..  trans-88.9127.5176.9-60.30000110.3L294 D295 K297 H300 Q301L294-T303 HydrophobicContact CB-CG2 3.99Å; L294-T303 HydrophobicContact CD1-CG2 4.17Å; D295-T303 WeakPolarHBondContact OD1-CA 3.38Å; K297-T303 PolarHBondContact N-OG1 3.14Å; K297-T303 PolarHBondContact O-OG1 2.9Å; H300-T303 WeakPolarHBondContact O-CB 3.46Å; H300-T303 PolarHBondContact O-N 2.99Å; H300-T303 PolarHBondContact O-OG1 2.83Å; H300-T303 VanDerWaalsContact O-OG1 3.06Å; Q301-T303 VanDerWaalsContact C-N 3.3Å; Q301-T303 PolarHBondContact O-N 3.15Å
304N92.3Very high89.8Confident59 Ų5944.1 Ų44.132%0.31621%0.211SC..  trans-116.1-178.5169.9-54-70.5000110.9H212 L294 D295 H351H212-N304 HydrophobicContact CB-CB 4.33Å; L294-N304 WeakPolarHBondContact CA-O 3.14Å; D295-N304 PolarHBondContact N-O 3.11Å; D295-N304 PolarHBondContact OD1-N 3.16Å; D295-N304 VanDerWaalsContact OD2-CB 3.29Å; D295-N304 WeakPolarHBondContact OD2-CB 3.13Å; D295-N304 PolarHBondContact OD2-N 2.93Å; N304-H351 PolarHBondContact ND2-NE2 3.31Å
305L94Very high89.6Confident4 Ų454.5 Ų54.52%0.02125%0.25CC..BIsolated β-bridgetrans-57.3145.2164.9-63.4175.4000109.9H212 I255 P281 I286 I292 L294 S307 Y326 L349H212-L305 PolarHBondContact CE1-O 2.94Å; H212-L305 PolarHBondContact NE2-O 2.97Å; I255-L305 HydrophobicContact CD1-CD1 3.88Å; I255-L305 HydrophobicContact CD1-CD2 4.44Å; I255-L305 HydrophobicContact CG2-CD1 4.04Å; P281-L305 HydrophobicContact CB-CD1 4.13Å; I286-L305 HydrophobicContact CD1-CD2 3.88Å; I292-L305 HydrophobicContact CD1-CD2 3.34Å; I292-L305 HydrophobicContact CG1-CD2 4.16Å; L294-L305 HydrophobicContact CD2-CD2 4.3Å; L305-S307 PolarHBondContact O-N 2.97Å; L305-Y326 WeakPolarHBondContact CB-OH 3.32Å; L305-Y326 HydrophobicContact CD1-CE1 4.48Å; L305-L349 HydrophobicContact CB-CD2 4.17Å; L305-L349 HydrophobicContact CD1-CD2 3.95Å
306A95.1Very high89.4Confident0 Ų058.3 Ų58.30%027%0.266CS..PPolyproline II helixtrans-58.9136.8176.100000110.1I129 A293 V324 Y326I129-A306 HydrophobicContact CG1-CB 4.29Å; I129-A306 HydrophobicContact CG2-CB 4.22Å; A293-A306 HydrophobicContact CB-CB 3.72Å; A293-A306 WeakPolarHBondContact O-CB 3.34Å; A293-A306 PolarHBondContact O-N 2.77Å; A306-V324 HydrophobicContact CB-CB 4.49Å; A306-V324 HydrophobicContact CB-CG1 4.23Å; A306-V324 HydrophobicContact CB-CG2 3.92Å; A306-Y326 WeakPolarHBondContact O-CE2 3.41Å; A306-Y326 PolarHBondContact O-OH 2.84Å
307S96Very high89.4Confident10 Ų1060.9 Ų60.97%0.0728%0.276CS..PPolyproline II helixtrans-68.7150176.2-54.80000110.2H212 L305 T309 L349 H351H212-S307 PolarHBondContact NE2-OG 2.88Å; L305-S307 PolarHBondContact O-N 2.97Å; S307-T309 PolarHBondContact O-N 3.24Å; S307-L349 CarbonylContact C-O 3.53Å; S307-L349 VanDerWaalsContact CA-O 3.25Å; S307-L349 WeakPolarHBondContact CA-O 3.33Å; S307-H351 PolarHBondContact OG-CE1 3.21Å; S307-H351 PolarHBondContact OG-ND1 2.84Å
308S96.6Very high89.5Confident6 Ų664.6 Ų64.64%0.04229%0.293CS..PPolyproline II helixtrans-51.9132.7172-68.60000110.1L310 V324 Y326 V348 L349S308-L310 PolarHBondContact O-N 2.99Å; S308-V324 CarbonylContact C-O 3.59Å; S308-V324 WeakPolarHBondContact CA-O 3.36Å; S308-Y326 VanDerWaalsContact OG-CD2 3.28Å; S308-Y326 WeakPolarHBondContact OG-CD2 3.49Å; S308-V348 WeakPolarHBondContact OG-CA 3.35Å; S308-L349 PolarHBondContact N-O 2.88Å; S308-L349 PolarHBondContact OG-N 3.43Å
309T95.3Very high89.8Confident18 Ų1864.3 Ų64.311%0.1129%0.292CS..  trans-77.1111.8177-54.40000109.2S307 I311 M320 I323 V324S307-T309 PolarHBondContact O-N 3.24Å; T309-I311 HydrophobicContact CG2-CG1 4.01Å; T309-M320 HydrophobicContact CG2-CB 4.48Å; T309-M320 HydrophobicContact CG2-CG 4.3Å; T309-M320 HydrophobicContact CG2-SD 4.35Å; T309-I323 HydrophobicContact CG2-CG1 4.41Å; T309-I323 HydrophobicContact CG2-CG2 4.5Å; T309-V324 PolarHBondContact N-O 2.85Å; T309-V324 PolarHBondContact OG1-N 2.76Å
310L92.7Very high90.1Very high48 Ų4860.3 Ų60.325%0.25128%0.275SS..  trans-90.8123.7172.9-53.5179.9000109.1L30 T173 A175 S308 V348L30-L310 HydrophobicContact CD1-CB 3.47Å; L30-L310 VanDerWaalsContact CD1-CB 3.47Å; L30-L310 HydrophobicContact CD1-CD1 4.26Å; L30-L310 HydrophobicContact CG-CB 4.13Å; T173-L310 HydrophobicContact CG2-CB 4Å; T173-L310 HydrophobicContact CG2-CD1 3.71Å; T173-L310 HydrophobicContact CG2-CG 3.65Å; A175-L310 HydrophobicContact CB-CD1 3.88Å; S308-L310 PolarHBondContact O-N 2.99Å; L310-V348 HydrophobicContact CD2-CG1 4.11Å; L310-V348 HydrophobicContact CD2-CG2 4.35Å
311I89.6Confident90.4Very high19 Ų1958.4 Ų58.410%0.09727%0.266CS..  trans-110.7113.1-175.1-56.4176.8000109.1T309 D313 Y314 K317 M320 I323T309-I311 HydrophobicContact CG2-CG1 4.01Å; I311-D313 WeakPolarHBondContact CG2-O 2.81Å; I311-Y314 HydrophobicContact CB-CE1 4.34Å; I311-Y314 HydrophobicContact CD1-CD1 4.41Å; I311-Y314 HydrophobicContact CD1-CE1 4.21Å; I311-Y314 HydrophobicContact CG2-CD1 4.36Å; I311-Y314 HydrophobicContact CG2-CG 4.33Å; I311-K317 HydrophobicContact CD1-CB 4.39Å; I311-K317 HydrophobicContact CD1-CG 3.98Å; I311-M320 HydrophobicContact CD1-CG 4.42Å; I311-M320 HydrophobicContact CG1-CG 4.32Å; I311-I323 HydrophobicContact CD1-CD1 4Å; I311-I323 HydrophobicContact CD1-CG1 4.33Å; I311-I323 HydrophobicContact CD1-CG2 4.41Å
312K85.2Confident90.7Very high137 Ų13753.2 Ų53.260%0.59624%0.242SC*.SBendtrans-70.3-39.8178.1-170170-173.3159.90112.9L30 H123L30-K312 HydrophobicContact CD2-CB 4.46Å; L30-K312 PolarHBondContact O-NZ 3.28Å; H123-K312 HydrophobicContact CB-CD 4.48Å
313D87.2Confident90.9Very high46 Ų4651 Ų5125%0.24623%0.231CC..  trans-129.6107176.4-175-9.4000110I311 R315 K316I311-D313 WeakPolarHBondContact CG2-O 2.81Å; D313-R315 PolarHBondContact O-N 3.39Å; D313-R315 VanDerWaalsContact O-N 3.16Å; D313-R315 VanDerWaalsContact OD1-CB 3.28Å; D313-R315 WeakPolarHBondContact OD1-CB 3.17Å; D313-R315 WeakPolarHBondContact OD1-CG 3.46Å; D313-R315 IonicContact OD1-CZ 2.84Å; D313-R315 PolarHBondContact OD1-N 3.03Å; D313-R315 IonicContact OD1-NE 2.64Å; D313-R315 PolarHBondContact OD1-NE 3.12Å; D313-R315 IonicContact OD1-NH2 3.71Å; D313-R315 IonicContact OD2-CZ 3.96Å; D313-R315 IonicContact OD2-NE 3.64Å; D313-R315 PolarHBondContact OD2-NE 3.13Å; D313-R315 IonicContact OD2-NH2 3.94Å; D313-R315 PolarHBondContact OD2-NH2 2.92Å; D313-K316 HydrophobicContact CB-CG 4.41Å; D313-K316 WeakPolarHBondContact O-CB 3.37Å; D313-K316 PolarHBondContact O-N 2.97Å
314Y88.5Confident91.2Very high161 Ų16150.5 Ų50.563%0.63123%0.227SC*.G310 helixtrans-62.6-20-178.7-82.2-85.8000113.7I311 K316 K317I311-Y314 HydrophobicContact CB-CE1 4.34Å; I311-Y314 HydrophobicContact CD1-CD1 4.41Å; I311-Y314 HydrophobicContact CD1-CE1 4.21Å; I311-Y314 HydrophobicContact CG2-CD1 4.36Å; I311-Y314 HydrophobicContact CG2-CG 4.33Å; Y314-K316 PolarHBondContact O-N 3.36Å; Y314-K317 WeakPolarHBondContact O-CB 3.36Å; Y314-K317 PolarHBondContact O-N 2.65Å; Y314-K317 VanDerWaalsContact O-N 3.14Å
315R89.7Confident91.5Very high217 Ų21752.1 Ų52.182%0.81923%0.233SC*.G310 helixtrans-67-23.3172.6-59.2171.8-65.1-178.43.7112D313D313-R315 PolarHBondContact O-N 3.39Å; D313-R315 VanDerWaalsContact O-N 3.16Å; D313-R315 VanDerWaalsContact OD1-CB 3.28Å; D313-R315 WeakPolarHBondContact OD1-CB 3.17Å; D313-R315 WeakPolarHBondContact OD1-CG 3.46Å; D313-R315 IonicContact OD1-CZ 2.84Å; D313-R315 PolarHBondContact OD1-N 3.03Å; D313-R315 IonicContact OD1-NE 2.64Å; D313-R315 PolarHBondContact OD1-NE 3.12Å; D313-R315 IonicContact OD1-NH2 3.71Å; D313-R315 IonicContact OD2-CZ 3.96Å; D313-R315 IonicContact OD2-NE 3.64Å; D313-R315 PolarHBondContact OD2-NE 3.13Å; D313-R315 IonicContact OD2-NH2 3.94Å; D313-R315 PolarHBondContact OD2-NH2 2.92Å
316K87.1Confident91.6Very high82 Ų8252.1 Ų52.136%0.35723%0.233SC..G310 helixtrans-96.612.2175.9-60-172.5176.7-173.10112.9D124 D313 Y314 E318 N319D124-K316 HydrophobicContact CB-CD 3.73Å; D124-K316 IonicContact OD2-NZ 2.67Å; D124-K316 PolarHBondContact OD2-NZ 3.02Å; D313-K316 HydrophobicContact CB-CG 4.41Å; D313-K316 WeakPolarHBondContact O-CB 3.37Å; D313-K316 PolarHBondContact O-N 2.97Å; Y314-K316 PolarHBondContact O-N 3.36Å; K316-E318 PolarHBondContact O-N 3.24Å; K316-E318 VanDerWaalsContact O-N 3.11Å; K316-N319 WeakPolarHBondContact O-CB 3.33Å; K316-N319 PolarHBondContact O-N 3.33Å
317K88.3Confident91.7Very high61 Ų6152.9 Ų52.927%0.26524%0.236SC..G310 helixtrans-49.2-39.4178.2179.9-176.7-177.7-164.90112.2E242 I311 Y314 N319 M320 I323E242-K317 WeakPolarHBondContact OE1-CE 3.37Å; E242-K317 IonicContact OE1-NZ 3.28Å; E242-K317 PolarHBondContact OE1-NZ 3.32Å; E242-K317 VanDerWaalsContact OE2-CE 3.31Å; E242-K317 WeakPolarHBondContact OE2-CE 3.31Å; E242-K317 IonicContact OE2-NZ 2.72Å; E242-K317 PolarHBondContact OE2-NZ 3.23Å; I311-K317 HydrophobicContact CD1-CB 4.39Å; I311-K317 HydrophobicContact CD1-CG 3.98Å; Y314-K317 WeakPolarHBondContact O-CB 3.36Å; Y314-K317 PolarHBondContact O-N 2.65Å; Y314-K317 VanDerWaalsContact O-N 3.14Å; K317-N319 PolarHBondContact O-N 2.97Å; K317-M320 WeakPolarHBondContact O-CB 3.35Å; K317-M320 PolarHBondContact O-N 3.37Å; K317-M320 VanDerWaalsContact O-N 3.15Å; K317-I323 HydrophobicContact CD-CD1 3.85Å; K317-I323 HydrophobicContact CG-CD1 3.24Å
318E86.6Confident91.8Very high109 Ų10952.4 Ų52.451%0.50923%0.233SC..G310 helixtrans-65.5-24.2-178.3-59.6-170.617400113.7T244 R248 K316 M320T244-E318 PolarHBondContact OG1-O 3.2Å; R248-E318 IonicContact CZ-OE1 2.8Å; R248-E318 IonicContact NH2-OE1 3.42Å; R248-E318 PolarHBondContact NH2-OE1 3.09Å; R248-E318 IonicContact NH2-OE2 3.01Å; K316-E318 PolarHBondContact O-N 3.24Å; K316-E318 VanDerWaalsContact O-N 3.11Å; E318-M320 VanDerWaalsContact C-N 3.25Å; E318-M320 PolarHBondContact O-N 3.34Å
319N88.6Confident91.9Very high70 Ų7055.1 Ų55.137%0.37424%0.242SC..G310 helixtrans-73.7-16.4177.8-63.8-7.9000112.8F80 D124 K316 K317 G321F80-N319 WeakPolarHBondContact CD1-O 3.39Å; F80-N319 VanDerWaalsContact CE1-O 3.26Å; F80-N319 WeakPolarHBondContact CE1-O 3.03Å; D124-N319 WeakPolarHBondContact O-CB 3.38Å; K316-N319 WeakPolarHBondContact O-CB 3.33Å; K316-N319 PolarHBondContact O-N 3.33Å; K317-N319 PolarHBondContact O-N 2.97Å; N319-G321 VanDerWaalsContact C-N 3.28Å; N319-G321 PolarHBondContact O-N 3.32Å
320M89.2Confident92Very high12 Ų1254.3 Ų54.36%0.05924%0.237CC..G310 helixtrans-72-21.1-179.1-62.3-61.7127.800113.1D124 P126 I146 T309 I311 K317 E318 I322 I323D124-M320 WeakPolarHBondContact O-CE 3.34Å; P126-M320 WeakPolarHBondContact CB-O 3.01Å; I146-M320 WeakPolarHBondContact CD1-O 3.29Å; T309-M320 HydrophobicContact CG2-CB 4.48Å; T309-M320 HydrophobicContact CG2-CG 4.3Å; T309-M320 HydrophobicContact CG2-SD 4.35Å; I311-M320 HydrophobicContact CD1-CG 4.42Å; I311-M320 HydrophobicContact CG1-CG 4.32Å; K317-M320 WeakPolarHBondContact O-CB 3.35Å; K317-M320 PolarHBondContact O-N 3.37Å; K317-M320 VanDerWaalsContact O-N 3.15Å; E318-M320 VanDerWaalsContact C-N 3.25Å; E318-M320 PolarHBondContact O-N 3.34Å; M320-I322 PolarHBondContact O-N 2.8Å; M320-I323 HydrophobicContact CB-CD1 4.41Å; M320-I323 HydrophobicContact CB-CG1 3.85Å; M320-I323 HydrophobicContact CG-CG1 4.49Å
321G90.3Very high92.2Very high0 Ų055 Ų550%024%0.238CC..SBendtrans70.8-54178.700000115.1I243 T244 N319I243-G321 CarbonylContact C-O 3.53Å; I243-G321 WeakPolarHBondContact CA-O 3.34Å; T244-G321 PolarHBondContact N-O 2.79Å; T244-G321 WeakPolarHBondContact OG1-CA 3.46Å; T244-G321 PolarHBondContact OG1-N 2.78Å; T244-G321 PolarHBondContact OG1-O 2.87Å; N319-G321 VanDerWaalsContact C-N 3.28Å; N319-G321 PolarHBondContact O-N 3.32Å
322I92.4Very high92.5Very high1 Ų154 Ų541%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-130.5129.1174.6-55.8169.7000107.5F60 I129 L131 I146 V241 E242 M320 V324F60-I322 HydrophobicContact CD2-CD1 4.23Å; F60-I322 HydrophobicContact CD2-CG1 4.27Å; F60-I322 HydrophobicContact CE2-CD1 3.73Å; F60-I322 HydrophobicContact CE2-CG1 3.75Å; I129-I322 HydrophobicContact CB-CD1 3.99Å; I129-I322 HydrophobicContact CD1-CB 3.93Å; I129-I322 HydrophobicContact CD1-CG2 3.99Å; I129-I322 HydrophobicContact CG2-CB 4.5Å; I129-I322 HydrophobicContact CG2-CD1 3.81Å; I129-I322 HydrophobicContact CG2-CG2 4.05Å; L131-I322 HydrophobicContact CD1-CD1 4.04Å; L131-I322 HydrophobicContact CD2-CD1 4.16Å; L131-I322 HydrophobicContact CD2-CG2 4.37Å; L131-I322 HydrophobicContact CG-CD1 3.91Å; I146-I322 HydrophobicContact CD1-CB 4.34Å; I146-I322 HydrophobicContact CD1-CD1 4.12Å; I146-I322 HydrophobicContact CD1-CG1 4.06Å; I146-I322 HydrophobicContact CG1-CD1 4.03Å; I146-I322 HydrophobicContact CG1-CG1 4.45Å; V241-I322 HydrophobicContact CG1-CG2 3.56Å; E242-I322 CarbonylContact O-C 3.49Å; E242-I322 WeakPolarHBondContact O-CA 3.44Å; M320-I322 PolarHBondContact O-N 2.8Å; I322-V324 HydrophobicContact CG2-CG2 4.1Å
323I94.6Very high92.9Very high1 Ų148.4 Ų48.41%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-117122.4176.7-63167.5000107.5V241 E242 T244 T309 I311 K317 M320 Q325V241-I323 CarbonylContact C-O 3.57Å; V241-I323 WeakPolarHBondContact CA-O 3.03Å; E242-I323 HydrophobicContact CB-CB 4.29Å; E242-I323 PolarHBondContact N-O 2.99Å; E242-I323 PolarHBondContact O-N 2.82Å; T244-I323 HydrophobicContact CG2-CD1 3.6Å; T244-I323 HydrophobicContact CG2-CG1 4.21Å; T309-I323 HydrophobicContact CG2-CG1 4.41Å; T309-I323 HydrophobicContact CG2-CG2 4.5Å; I311-I323 HydrophobicContact CD1-CD1 4Å; I311-I323 HydrophobicContact CD1-CG1 4.33Å; I311-I323 HydrophobicContact CD1-CG2 4.41Å; K317-I323 HydrophobicContact CD-CD1 3.85Å; K317-I323 HydrophobicContact CG-CD1 3.24Å; M320-I323 HydrophobicContact CB-CD1 4.41Å; M320-I323 HydrophobicContact CB-CG1 3.85Å; M320-I323 HydrophobicContact CG-CG1 4.49Å; I323-Q325 HydrophobicContact CG2-CG 4.17Å
324V96.5Very high93.1Very high0 Ų046.5 Ų46.50%020%0.201CC..EExtended strand (participates in β ladder)trans-109126.1-179.5-173.40000108.4I129 Q239 N240 A293 A306 S308 T309 I322 Y326I129-V324 HydrophobicContact CD1-CG2 3.86Å; Q239-V324 HydrophobicContact CG-CG1 3.71Å; N240-V324 WeakPolarHBondContact O-CA 3.27Å; A293-V324 HydrophobicContact CB-CG2 3.85Å; A306-V324 HydrophobicContact CB-CB 4.49Å; A306-V324 HydrophobicContact CB-CG1 4.23Å; A306-V324 HydrophobicContact CB-CG2 3.92Å; S308-V324 CarbonylContact C-O 3.59Å; S308-V324 WeakPolarHBondContact CA-O 3.36Å; T309-V324 PolarHBondContact N-O 2.85Å; T309-V324 PolarHBondContact OG1-N 2.76Å; I322-V324 HydrophobicContact CG2-CG2 4.1Å; V324-Y326 HydrophobicContact CG1-CD2 4.23Å; V324-Y326 HydrophobicContact CG1-CE2 3.5Å
325Q97.1Very high92.8Very high92 Ų9239 Ų3943%0.4317%0.172SC..EExtended strand (participates in β ladder)trans-131.6148.8176.7-65.8178.7-37.200109.2Q239 N240 I323Q239-Q325 CarbonylContact C-O 3.47Å; Q239-Q325 WeakPolarHBondContact CA-O 3.4Å; N240-Q325 HydrophobicContact CB-CB 4.32Å; N240-Q325 PolarHBondContact N-O 2.82Å; N240-Q325 PolarHBondContact O-N 2.84Å; I323-Q325 HydrophobicContact CG2-CG 4.17Å
326Y97.3Very high92.1Very high5 Ų537.6 Ų37.62%0.0217%0.172CC..EExtended strand (participates in β ladder)trans-120.3142.8178.7-70.9-101.6000109.8V237 I238 Q239 I255 L305 A306 S308 V324 I347 L349V237-Y326 HydrophobicContact CG1-CD1 4.46Å; I238-Y326 WeakPolarHBondContact O-CA 3.31Å; Q239-Y326 HydrophobicContact CB-CD1 4.24Å; Q239-Y326 HydrophobicContact CB-CE1 3.9Å; Q239-Y326 HydrophobicContact CG-CE1 4.06Å; Q239-Y326 HydrophobicContact CG-CE2 4.32Å; Q239-Y326 PolarHBondContact NE2-OH 2.8Å; I255-Y326 HydrophobicContact CD1-CD1 3.93Å; I255-Y326 HydrophobicContact CD1-CE1 3.36Å; L305-Y326 WeakPolarHBondContact CB-OH 3.32Å; L305-Y326 HydrophobicContact CD1-CE1 4.48Å; A306-Y326 WeakPolarHBondContact O-CE2 3.41Å; A306-Y326 PolarHBondContact O-OH 2.84Å; S308-Y326 VanDerWaalsContact OG-CD2 3.28Å; S308-Y326 WeakPolarHBondContact OG-CD2 3.49Å; V324-Y326 HydrophobicContact CG1-CD2 4.23Å; V324-Y326 HydrophobicContact CG1-CE2 3.5Å; Y326-I347 PolarHBondContact O-N 2.69Å; Y326-L349 HydrophobicContact CD1-CB 4.35Å; Y326-L349 HydrophobicContact CD1-CD2 4.16Å; Y326-L349 HydrophobicContact CD2-CB 3.92Å; Y326-L349 HydrophobicContact CE1-CB 4.37Å; Y326-L349 HydrophobicContact CE1-CD2 3.56Å; Y326-L349 HydrophobicContact CE2-CB 3.98Å; Y326-L349 HydrophobicContact CE2-CD2 4.24Å; Y326-L349 HydrophobicContact CG-CB 4.11Å
327M97.2Very high91.2Very high15 Ų1536.1 Ų36.17%0.07418%0.18CC..EExtended strand (participates in β ladder)trans-143.6146.7174.166.1-171.9-15300111.5V237 I238 N240 R329 E344 I345V237-M327 WeakPolarHBondContact CA-O 3.38Å; I238-M327 HydrophobicContact CB-CE 4.2Å; I238-M327 HydrophobicContact CB-CG 3.99Å; I238-M327 HydrophobicContact CD1-CE 3.71Å; I238-M327 HydrophobicContact CG1-CE 4.44Å; I238-M327 HydrophobicContact CG2-CE 4.38Å; I238-M327 PolarHBondContact N-O 3.29Å; I238-M327 PolarHBondContact O-N 3.06Å; N240-M327 PolarHBondContact ND2-SD 2.85Å; M327-R329 VanDerWaalsContact CE-NH2 3.32Å; M327-E344 VanDerWaalsContact CE-CD 3.45Å; M327-E344 HydrophobicContact CE-CG 4.21Å; M327-E344 WeakPolarHBondContact CE-OE1 3.47Å; M327-E344 HydrophobicContact SD-CB 4.43Å; M327-E344 HydrophobicContact SD-CG 4.41Å; M327-I345 CarbonylContact C-O 3.55Å; M327-I345 VanDerWaalsContact CA-O 3.22Å; M327-I345 WeakPolarHBondContact CA-O 3.44Å
328I97.9Very high90.2Very high0 Ų034.1 Ų34.10%018%0.177CC..EExtended strand (participates in β ladder)trans-93.9117.3167.9-56.3174.1000107L205 I216 L218 I235 Q236 V237 L279 I330 E344 I345 I347L205-I328 HydrophobicContact CD1-CD1 3.95Å; L205-I328 HydrophobicContact CD2-CD1 3.89Å; I216-I328 HydrophobicContact CG2-CD1 3.96Å; L218-I328 HydrophobicContact CD2-CG2 4.05Å; I235-I328 HydrophobicContact CG2-CG2 4.21Å; Q236-I328 CarbonylContact O-C 3.57Å; Q236-I328 VanDerWaalsContact O-CA 3.31Å; Q236-I328 WeakPolarHBondContact O-CA 3.12Å; V237-I328 HydrophobicContact CG2-CG1 4.39Å; L279-I328 HydrophobicContact CD1-CD1 4.05Å; L279-I328 HydrophobicContact CD1-CG1 4.29Å; L279-I328 HydrophobicContact CD1-CG2 3.84Å; I328-I330 HydrophobicContact CG2-CD1 4.26Å; I328-I330 HydrophobicContact CG2-CG1 4.16Å; I328-E344 CarbonylContact O-C 3.54Å; I328-E344 WeakPolarHBondContact O-CA 3.39Å; I328-I345 HydrophobicContact CB-CB 4.38Å; I328-I345 PolarHBondContact N-O 3.16Å; I328-I345 PolarHBondContact O-N 3.35Å; I328-I347 HydrophobicContact CD1-CD1 4.36Å; I328-I347 HydrophobicContact CD1-CG2 3.92Å; I328-I347 HydrophobicContact CG1-CD1 4.06Å; I328-I347 HydrophobicContact CG1-CG2 4.17Å
329R97.9Very high90.2Very high64 Ų6436.1 Ų36.124%0.24218%0.18CC..EExtended strand (participates in β ladder)trans-101.1122.3174.3177.8-178.3-75.4177.7-8.1109I235 Q236 I238 M327 E342 M343 E344I235-R329 CarbonylContact C-O 3.54Å; I235-R329 WeakPolarHBondContact CA-O 3.39Å; Q236-R329 HydrophobicContact CB-CB 4.44Å; Q236-R329 PolarHBondContact N-O 3.07Å; Q236-R329 PolarHBondContact O-N 2.87Å; I238-R329 HydrophobicContact CD1-CB 3.81Å; I238-R329 HydrophobicContact CD1-CG 4.46Å; M327-R329 VanDerWaalsContact CE-NH2 3.32Å; R329-E342 WeakPolarHBondContact CD-OE1 3.48Å; R329-E342 HydrophobicContact CG-CG 4.1Å; R329-E342 VanDerWaalsContact CG-OE1 3.3Å; R329-E342 WeakPolarHBondContact CG-OE1 3.33Å; R329-E342 IonicContact CZ-OE1 3.52Å; R329-E342 IonicContact NE-OE1 3.38Å; R329-E342 PolarHBondContact NE-OE1 2.94Å; R329-M343 WeakPolarHBondContact CA-O 3.2Å; R329-E344 HydrophobicContact CB-CG 4.4Å; R329-E344 HydrophobicContact CG-CG 4.34Å; R329-E344 IonicContact CZ-OE1 3.65Å; R329-E344 VanDerWaalsContact CZ-OE1 3.28Å; R329-E344 IonicContact NE-OE1 2.96Å; R329-E344 PolarHBondContact NE-OE1 2.8Å; R329-E344 IonicContact NH2-OE1 3.07Å; R329-E344 PolarHBondContact NH2-OE1 2.98Å
330I97.8Very high90.3Very high1 Ų136 Ų361%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-114.3122.9175.4-60.2138.5000107.3A203 L218 L220 L233 I235 I328 E342 M343 I345A203-I330 HydrophobicContact CB-CD1 3.84Å; L218-I330 HydrophobicContact CD1-CD1 4.12Å; L218-I330 HydrophobicContact CD2-CD1 3.9Å; L218-I330 HydrophobicContact CD2-CG1 3.91Å; L220-I330 HydrophobicContact CD1-CG1 4.49Å; L220-I330 HydrophobicContact CD1-CG2 3.89Å; L220-I330 HydrophobicContact CD2-CD1 3.76Å; L220-I330 HydrophobicContact CD2-CG1 4.27Å; L220-I330 HydrophobicContact CD2-CG2 4.37Å; L233-I330 HydrophobicContact CD2-CG2 4.14Å; I235-I330 HydrophobicContact CG2-CG1 4.34Å; I328-I330 HydrophobicContact CG2-CD1 4.26Å; I328-I330 HydrophobicContact CG2-CG1 4.16Å; I330-E342 CarbonylContact O-C 3.5Å; I330-E342 WeakPolarHBondContact O-CA 3.44Å; I330-M343 HydrophobicContact CB-CG 3.69Å; I330-M343 HydrophobicContact CB-SD 4.29Å; I330-M343 HydrophobicContact CD1-CG 3.84Å; I330-M343 HydrophobicContact CD1-SD 3.55Å; I330-M343 VanDerWaalsContact CD1-SD 3.55Å; I330-M343 HydrophobicContact CG1-CG 4.38Å; I330-M343 HydrophobicContact CG2-CG 4.39Å; I330-M343 PolarHBondContact N-O 3.04Å; I330-M343 PolarHBondContact O-N 2.82Å; I330-I345 HydrophobicContact CD1-CD1 3.84Å
331K96.9Very high90.6Very high61 Ų6135.5 Ų35.527%0.26518%0.177SC..EExtended strand (participates in β ladder)trans-125.2112.9-179.4-176.6177.8-179.2-174.40110K234 D340 V341 E342K234-K331 HydrophobicContact CB-CB 4.31Å; K234-K331 PolarHBondContact N-O 2.79Å; K234-K331 PolarHBondContact O-N 2.86Å; K331-D340 WeakPolarHBondContact CE-OD2 3.43Å; K331-D340 HydrophobicContact CG-CB 4.33Å; K331-D340 IonicContact NZ-OD2 2.75Å; K331-D340 PolarHBondContact NZ-OD2 2.8Å; K331-V341 CarbonylContact C-O 3.5Å; K331-V341 WeakPolarHBondContact CA-O 3.14Å; K331-E342 HydrophobicContact CB-CG 4.38Å
332A95.7Very high90.9Very high0 Ų039.2 Ų39.20%019%0.194CC..EExtended strand (participates in β ladder)trans-87.4113.7170.700000109.4L199 I201 V230 L233 D340 V341L199-A332 HydrophobicContact CD2-CB 4.27Å; I201-A332 HydrophobicContact CD1-CB 3.56Å; V230-A332 HydrophobicContact CG1-CB 3.92Å; L233-A332 HydrophobicContact CD2-CB 3.88Å; A332-D340 WeakPolarHBondContact O-CA 3.49Å; A332-V341 HydrophobicContact CB-CB 4.39Å; A332-V341 PolarHBondContact N-O 3.31Å; A332-V341 PolarHBondContact O-N 2.7Å
333V95Very high91.1Very high19 Ų1939.5 Ų39.512%0.11520%0.196CC..EExtended strand (participates in β ladder)trans-85.9118.3179.7178.70000108.4R231 R232 D340R231-V333 PolarHBondContact N-O 2.8Å; R232-V333 HydrophobicContact CG-CB 3.8Å; R232-V333 HydrophobicContact CG-CG1 4.4Å; R232-V333 HydrophobicContact CG-CG2 4.09Å; R232-V333 PolarHBondContact O-N 2.77Å; V333-D340 WeakPolarHBondContact CA-OD1 3.38Å
334T91.1Very high91.2Very high6 Ų643 Ų434%0.03721%0.212CC..EExtended strand (participates in β ladder)trans-94.9166.1-17657.30000111.6F192 L199 I229 G338 R339 D340 V341F192-T334 HydrophobicContact CE1-CG2 4.27Å; F192-T334 HydrophobicContact CZ-CG2 3.94Å; L199-T334 HydrophobicContact CD2-CG2 4.38Å; I229-T334 CarbonylContact O-C 3.42Å; I229-T334 WeakPolarHBondContact O-CA 3.38Å; T334-G338 VanDerWaalsContact OG1-CA 3.23Å; T334-G338 WeakPolarHBondContact OG1-CA 3.32Å; T334-G338 PolarHBondContact OG1-O 2.82Å; T334-R339 VanDerWaalsContact OG1-C 3.22Å; T334-R339 PolarHBondContact OG1-O 2.84Å; T334-D340 PolarHBondContact N-OD1 3.2Å; T334-V341 HydrophobicContact CG2-CG2 4.44Å
335G82.1Confident91.2Very high3 Ų343 Ų433%0.03121%0.212CC..  trans-66.8-179.2178.900000114.2N228 I229 G337 G338N228-G335 WeakPolarHBondContact OD1-CA 2.94Å; N228-G335 PolarHBondContact OD1-N 3.46Å; I229-G335 PolarHBondContact O-N 2.9Å; G335-G337 PolarHBondContact O-N 3.11Å; G335-G338 PolarHBondContact O-N 3Å
336F74.5Confident91.2Very high188 Ų18842.5 Ų42.583%0.82522%0.216SC*.THydrogen-bonded Turntrans-52.3125-179.5-177-95.5000111.5H195 G338H195-F336 PolarHBondContact NE2-O 3.01Å; F336-G338 VanDerWaalsContact C-N 3.27Å; F336-G338 PolarHBondContact O-N 2.84Å
337G68.8Low91.1Very high51 Ų5142.6 Ų42.653%0.52622%0.217SC..THydrogen-bonded Turntrans81.9-5.8-177.600000115.3H195 G335H195-G337 PolarHBondContact CE1-O 3.46Å; H195-G337 VanDerWaalsContact CE1-O 3.24Å; G335-G337 PolarHBondContact O-N 3.11Å
338G67.9Low91Very high19 Ų1943.3 Ų43.320%0.19622%0.223CC..PPolyproline II helixtrans-79.4141.5167.100000111.4N228 T334 G335 F336N228-G338 WeakPolarHBondContact ND2-CA 3.3Å; N228-G338 PolarHBondContact ND2-N 2.87Å; T334-G338 VanDerWaalsContact OG1-CA 3.23Å; T334-G338 WeakPolarHBondContact OG1-CA 3.32Å; T334-G338 PolarHBondContact OG1-O 2.82Å; G335-G338 PolarHBondContact O-N 3Å; F336-G338 VanDerWaalsContact C-N 3.27Å; F336-G338 PolarHBondContact O-N 2.84Å
339R84.9Confident90.9Very high151 Ų15143.4 Ų43.457%0.5722%0.223SC*.PPolyproline II helixtrans-81.7137.6162.9-66.3-172.2-64-169.51.9107.8T334T334-R339 VanDerWaalsContact OG1-C 3.22Å; T334-R339 PolarHBondContact OG1-O 2.84Å
340D92.4Very high90.7Very high66 Ų6640.3 Ų40.335%0.35321%0.211SC..PPolyproline II helixtrans-58143.3170.9-64.9-20.3000109.6K331 A332 V333 T334K331-D340 WeakPolarHBondContact CE-OD2 3.43Å; K331-D340 HydrophobicContact CG-CB 4.33Å; K331-D340 IonicContact NZ-OD2 2.75Å; K331-D340 PolarHBondContact NZ-OD2 2.8Å; A332-D340 WeakPolarHBondContact O-CA 3.49Å; V333-D340 WeakPolarHBondContact CA-OD1 3.38Å; T334-D340 PolarHBondContact N-OD1 3.2Å
341V94.4Very high90.4Very high2 Ų241.2 Ų41.21%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-105.8128.2177.8-173.40000108I188 Q190 F192 L199 I201 K331 A332 T334I188-V341 HydrophobicContact CD1-CG1 4.07Å; I188-V341 HydrophobicContact CG1-CG1 4.48Å; I188-V341 HydrophobicContact CG2-CG1 3.91Å; Q190-V341 HydrophobicContact CB-CB 4.44Å; Q190-V341 HydrophobicContact CB-CG1 3.79Å; Q190-V341 HydrophobicContact CB-CG2 3.76Å; Q190-V341 HydrophobicContact CG-CG1 4.41Å; Q190-V341 HydrophobicContact CG-CG2 3.76Å; F192-V341 HydrophobicContact CE1-CG2 4.18Å; F192-V341 HydrophobicContact CZ-CG2 3.99Å; L199-V341 HydrophobicContact CD2-CB 4.17Å; L199-V341 HydrophobicContact CD2-CG2 3.74Å; I201-V341 HydrophobicContact CD1-CB 4.36Å; I201-V341 HydrophobicContact CD1-CG1 4.19Å; K331-V341 CarbonylContact C-O 3.5Å; K331-V341 WeakPolarHBondContact CA-O 3.14Å; A332-V341 HydrophobicContact CB-CB 4.39Å; A332-V341 PolarHBondContact N-O 3.31Å; A332-V341 PolarHBondContact O-N 2.7Å; T334-V341 HydrophobicContact CG2-CG2 4.44Å
342E96.3Very high89.8Confident79 Ų7941.6 Ų41.637%0.36922%0.223SC..EExtended strand (participates in β ladder)trans-132.5137.7-172.5-171.3171.7167.900111I188 R329 I330 K331I188-E342 WeakPolarHBondContact CD1-O 3.3Å; R329-E342 WeakPolarHBondContact CD-OE1 3.48Å; R329-E342 HydrophobicContact CG-CG 4.1Å; R329-E342 VanDerWaalsContact CG-OE1 3.3Å; R329-E342 WeakPolarHBondContact CG-OE1 3.33Å; R329-E342 IonicContact CZ-OE1 3.52Å; R329-E342 IonicContact NE-OE1 3.38Å; R329-E342 PolarHBondContact NE-OE1 2.94Å; I330-E342 CarbonylContact O-C 3.5Å; I330-E342 WeakPolarHBondContact O-CA 3.44Å; K331-E342 HydrophobicContact CB-CG 4.38Å
343M96.7Very high88.8Confident7 Ų748 Ų483%0.03425%0.247CC..EExtended strand (participates in β ladder)trans-133.2146.8171.964.1166.769.500110.4I188 I201 A203 R329 I330 I345I188-M343 HydrophobicContact CB-CE 4.14Å; I188-M343 HydrophobicContact CG2-CB 4.44Å; I188-M343 HydrophobicContact CG2-CE 3.36Å; I201-M343 HydrophobicContact CB-CE 3.62Å; I201-M343 HydrophobicContact CG2-CE 3.41Å; I201-M343 VanDerWaalsContact CG2-CE 3.41Å; I201-M343 VanDerWaalsContact O-CE 3.31Å; I201-M343 WeakPolarHBondContact O-CE 3.16Å; A203-M343 HydrophobicContact CB-CE 4.38Å; A203-M343 HydrophobicContact CB-SD 3.49Å; A203-M343 WeakPolarHBondContact CB-SD 3.35Å; R329-M343 WeakPolarHBondContact CA-O 3.2Å; I330-M343 HydrophobicContact CB-CG 3.69Å; I330-M343 HydrophobicContact CB-SD 4.29Å; I330-M343 HydrophobicContact CD1-CG 3.84Å; I330-M343 HydrophobicContact CD1-SD 3.55Å; I330-M343 VanDerWaalsContact CD1-SD 3.55Å; I330-M343 HydrophobicContact CG1-CG 4.38Å; I330-M343 HydrophobicContact CG2-CG 4.39Å; I330-M343 PolarHBondContact N-O 3.04Å; I330-M343 PolarHBondContact O-N 2.82Å; M343-I345 HydrophobicContact SD-CD1 4.36Å
344E97.4Very high87.3Confident73 Ų7354.3 Ų54.334%0.34128%0.275SS..EExtended strand (participates in β ladder)trans-123.7127.6177.1-63.3-176.4155.800110.2K186 M327 I328 R329K186-E344 PolarHBondContact NZ-O 2.82Å; M327-E344 VanDerWaalsContact CE-CD 3.45Å; M327-E344 HydrophobicContact CE-CG 4.21Å; M327-E344 WeakPolarHBondContact CE-OE1 3.47Å; M327-E344 HydrophobicContact SD-CB 4.43Å; M327-E344 HydrophobicContact SD-CG 4.41Å; I328-E344 CarbonylContact O-C 3.54Å; I328-E344 WeakPolarHBondContact O-CA 3.39Å; R329-E344 HydrophobicContact CB-CG 4.4Å; R329-E344 HydrophobicContact CG-CG 4.34Å; R329-E344 IonicContact CZ-OE1 3.65Å; R329-E344 VanDerWaalsContact CZ-OE1 3.28Å; R329-E344 IonicContact NE-OE1 2.96Å; R329-E344 PolarHBondContact NE-OE1 2.8Å; R329-E344 IonicContact NH2-OE1 3.07Å; R329-E344 PolarHBondContact NH2-OE1 2.98Å
345I96.9Very high85.4Confident1 Ų162.3 Ų62.31%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-115.3115.5-179.5-60.9164.7000108.3Y184 K186 A203 L205 L218 M327 I328 I330 M343Y184-I345 HydrophobicContact CD1-CG2 3.84Å; Y184-I345 HydrophobicContact CE1-CB 4.37Å; Y184-I345 HydrophobicContact CE1-CG1 4.3Å; Y184-I345 HydrophobicContact CE1-CG2 3.32Å; K186-I345 HydrophobicContact CB-CD1 4.37Å; K186-I345 HydrophobicContact CB-CG1 4.15Å; K186-I345 HydrophobicContact CD-CG1 3.76Å; K186-I345 HydrophobicContact CG-CG1 4.48Å; A203-I345 HydrophobicContact CB-CD1 3.5Å; L205-I345 HydrophobicContact CD1-CG2 3.59Å; L218-I345 HydrophobicContact CD1-CD1 4.48Å; M327-I345 CarbonylContact C-O 3.55Å; M327-I345 VanDerWaalsContact CA-O 3.22Å; M327-I345 WeakPolarHBondContact CA-O 3.44Å; I328-I345 HydrophobicContact CB-CB 4.38Å; I328-I345 PolarHBondContact N-O 3.16Å; I328-I345 PolarHBondContact O-N 3.35Å; I330-I345 HydrophobicContact CD1-CD1 3.84Å; M343-I345 HydrophobicContact SD-CD1 4.36Å
346P96Very high83.8Confident81 Ų8166 Ų6653%0.52633%0.329SS..EExtended strand (participates in β ladder)trans-68.7140.6175.830-33.8000110.2
347I95.6Very high82.4Confident8 Ų860.3 Ų60.34%0.04131%0.307CS..EExtended strand (participates in β ladder)trans-132.7156.9172.360.7169.8000110L205 D208 Y210 I216 V237 Y326 I328L205-I347 HydrophobicContact CD1-CG2 4.04Å; D208-I347 WeakPolarHBondContact O-CA 3.21Å; Y210-I347 HydrophobicContact CD2-CB 4.47Å; Y210-I347 HydrophobicContact CE2-CG2 4.35Å; I216-I347 HydrophobicContact CD1-CD1 3.51Å; V237-I347 HydrophobicContact CG1-CD1 4.37Å; Y326-I347 PolarHBondContact O-N 2.69Å; I328-I347 HydrophobicContact CD1-CD1 4.36Å; I328-I347 HydrophobicContact CD1-CG2 3.92Å; I328-I347 HydrophobicContact CG1-CD1 4.06Å; I328-I347 HydrophobicContact CG1-CG2 4.17Å
348V95.4Very high81.3Confident30 Ų3064.6 Ų64.618%0.18232%0.316CS..EExtended strand (participates in β ladder)trans-105.8119.2174.1175.10000108.3A175 D208 I209 Y210 S308 L310A175-V348 HydrophobicContact CB-CG1 3.58Å; D208-V348 PolarHBondContact O-N 2.91Å; I209-V348 WeakPolarHBondContact CA-O 3.32Å; I209-V348 HydrophobicContact CB-CB 4.44Å; I209-V348 HydrophobicContact CG1-CB 3.83Å; I209-V348 HydrophobicContact CG1-CG1 4.11Å; I209-V348 HydrophobicContact CG1-CG2 4.36Å; I209-V348 HydrophobicContact CG2-CG1 4.43Å; Y210-V348 PolarHBondContact N-O 2.83Å; S308-V348 WeakPolarHBondContact OG-CA 3.35Å; L310-V348 HydrophobicContact CD2-CG1 4.11Å; L310-V348 HydrophobicContact CD2-CG2 4.35Å
349L95.5Very high80.4Confident1 Ų164.8 Ų64.81%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-106.1122.5173.3-173.969.8000108.9Y210 P281 L305 S307 S308 Y326Y210-L349 WeakPolarHBondContact O-CA 3.09Å; P281-L349 HydrophobicContact CB-CD2 4.45Å; P281-L349 HydrophobicContact CG-CD1 4.17Å; P281-L349 HydrophobicContact CG-CD2 4.42Å; L305-L349 HydrophobicContact CB-CD2 4.17Å; L305-L349 HydrophobicContact CD1-CD2 3.95Å; S307-L349 CarbonylContact C-O 3.53Å; S307-L349 VanDerWaalsContact CA-O 3.25Å; S307-L349 WeakPolarHBondContact CA-O 3.33Å; S308-L349 PolarHBondContact N-O 2.88Å; S308-L349 PolarHBondContact OG-N 3.43Å; Y326-L349 HydrophobicContact CD1-CB 4.35Å; Y326-L349 HydrophobicContact CD1-CD2 4.16Å; Y326-L349 HydrophobicContact CD2-CB 3.92Å; Y326-L349 HydrophobicContact CE1-CB 4.37Å; Y326-L349 HydrophobicContact CE1-CD2 3.56Å; Y326-L349 HydrophobicContact CE2-CB 3.98Å; Y326-L349 HydrophobicContact CE2-CD2 4.24Å; Y326-L349 HydrophobicContact CG-CB 4.11Å
350C94.4Very high78.8Confident0 Ų065.1 Ų65.10%032%0.319CS..EExtended strand (participates in β ladder)trans-145.8178.6-178.869.90000113.7A175 Y210 F211 H212A175-C350 HydrophobicContact CB-CB 4.25Å; A175-C350 VanDerWaalsContact CB-SG 3.57Å; A175-C350 PolarHBondContact N-SG 2.67Å; A175-C350 VanDerWaalsContact N-SG 3.4Å; Y210-C350 PolarHBondContact O-N 2.81Å; F211-C350 CarbonylContact C-O 3.54Å; F211-C350 VanDerWaalsContact CA-O 3.26Å; F211-C350 WeakPolarHBondContact CA-O 3.34Å; H212-C350 PolarHBondContact CD2-O 2.96Å; H212-C350 VanDerWaalsContact CD2-O 3.28Å; H212-C350 PolarHBondContact N-O 3.18Å
351H90.8Very high76.9Confident19 Ų1962.3 Ų62.39%0.08831%0.305CS..  trans-75.9150.4171-70.875.8000110.8F27 L174 F211 H212 D295 N304 S307F27-H351 HydrophobicContact CE1-CB 3.93Å; L174-H351 HydrophobicContact CD2-CB 3.65Å; L174-H351 WeakPolarHBondContact CD2-O 2.82Å; F211-H351 WeakPolarHBondContact CD1-O 3.21Å; F211-H351 WeakPolarHBondContact CE1-O 3.49Å; H212-H351 AromaticContact CD2-CD2 3.95Å; H212-H351 AromaticContact CD2-CE1 3.54Å; H212-H351 AromaticContact CD2-CG 3.8Å; H212-H351 AromaticContact CD2-ND1 3.55Å; H212-H351 AromaticContact CD2-NE2 3.8Å; H212-H351 AromaticContact NE2-CE1 3.58Å; H212-H351 AromaticContact NE2-ND1 3.61Å; D295-H351 IonicContact OD2-CE1 2.67Å; D295-H351 PolarHBondContact OD2-CE1 2.64Å; D295-H351 IonicContact OD2-NE2 3.93Å; D295-H351 PolarHBondContact OD2-NE2 2.9Å; D295-H351 VanDerWaalsContact OD2-NE2 3.07Å; N304-H351 PolarHBondContact ND2-NE2 3.31Å; S307-H351 PolarHBondContact OG-CE1 3.21Å; S307-H351 PolarHBondContact OG-ND1 2.84Å
352T84.9Confident75.1Confident69 Ų6969 Ų6942%0.42334%0.337SS..  trans-71.9139.4158.1520000108.4F211 Q354F211-T352 HydrophobicContact CB-CG2 3.61Å; F211-T352 HydrophobicContact CD1-CG2 3.64Å; F211-T352 HydrophobicContact CD2-CG2 3.59Å; F211-T352 HydrophobicContact CE1-CG2 4.16Å; F211-T352 HydrophobicContact CE2-CG2 4.11Å; F211-T352 HydrophobicContact CG-CG2 3.32Å; F211-T352 HydrophobicContact CZ-CG2 4.37Å; T352-Q354 PolarHBondContact O-N 2.8Å
353R74.7Confident73.5Confident136 Ų13671 Ų7151%0.51335%0.346SS..  trans-65.2106159.7-161.2169.9-162.5149.78.4106D29 D34 L174 E355D29-R353 IonicContact OD2-NH1 2.72Å; D29-R353 PolarHBondContact OD2-NH1 2.82Å; D34-R353 IonicContact OD1-NH2 3.25Å; D34-R353 PolarHBondContact OD1-NH2 2.87Å; D34-R353 VanDerWaalsContact OD1-NH2 3.14Å; L174-R353 HydrophobicContact CD1-CB 3.94Å; L174-R353 HydrophobicContact CD1-CG 4Å; R353-E355 PolarHBondContact O-N 2.91Å
354Q63.7Low71.9Confident150 Ų15071.7 Ų71.770%0.70135%0.353SS*.  trans-60126.2160.3-69.4-176.8-13.100104.1T352 Q356T352-Q354 PolarHBondContact O-N 2.8Å; Q354-Q356 PolarHBondContact O-N 2.66Å
355E50.7Low70.7Confident175 Ų17574.6 Ų74.682%0.81837%0.37SS*.  trans-54.692.8157.4-72.2177175.200103.8R353 D357R353-E355 PolarHBondContact O-N 2.91Å; E355-D357 PolarHBondContact O-N 2.99Å
356Q49Very low69.8Low80 Ų8075.8 Ų75.837%0.37438%0.377SS..  trans-59.595.5149.3-69.5-170.320.80099.5Q354 I358Q354-Q356 PolarHBondContact O-N 2.66Å; Q356-I358 PolarHBondContact O-N 3.34Å
357D43Very low69.2Low68 Ų6872.3 Ų72.336%0.36435%0.353SS..  trans-37.4113.3158.6-80.1-34.6000101.3E355 V359E355-D357 PolarHBondContact O-N 2.99Å; D357-V359 HydrophobicContact CB-CB 4.4Å; D357-V359 HydrophobicContact CB-CG2 3.22Å; D357-V359 WeakPolarHBondContact O-CG2 3.41Å; D357-V359 PolarHBondContact O-N 3.32Å
358I46.3Very low68.7Low142 Ų14275.3 Ų75.373%0.72837%0.369SS*.  trans-69.970.5167-59.3173.1000100.8Q356 K360Q356-I358 PolarHBondContact O-N 3.34Å; I358-K360 PolarHBondContact O-N 3.08Å
359V48.7Very low68.4Low22 Ų2276.5 Ų76.513%0.13337%0.374CS..  trans-66.699.5176.2-174.2000098.8S2 T3 D357 A361S2-V359 WeakPolarHBondContact O-CG1 3.26Å; S2-V359 VanDerWaalsContact O-CG2 3.23Å; S2-V359 WeakPolarHBondContact O-CG2 3.14Å; T3-V359 WeakPolarHBondContact O-CG1 3.39Å; D357-V359 HydrophobicContact CB-CB 4.4Å; D357-V359 HydrophobicContact CB-CG2 3.22Å; D357-V359 WeakPolarHBondContact O-CG2 3.41Å; D357-V359 PolarHBondContact O-N 3.32Å; V359-A361 PolarHBondContact O-N 3.1Å
360K51.3Low68.2Low158 Ų15880.2 Ų80.269%0.68739%0.391SS*.  trans-53.695.2154.7-64.3-177.6-179.6-178.50102I358 E362I358-K360 PolarHBondContact O-N 3.08Å; K360-E362 HydrophobicContact CB-CG 4.42Å; K360-E362 WeakPolarHBondContact O-CG 3.42Å; K360-E362 PolarHBondContact O-N 2.71Å
361A52.3Low68.1Low8 Ų888.8 Ų88.87%0.06643%0.428CS..  trans-62.992.5165.200000102.7R105 V359 E363 N366 L367R105-A361 PolarHBondContact NE-O 2.92Å; V359-A361 PolarHBondContact O-N 3.1Å; A361-E363 PolarHBondContact O-N 3.39Å; A361-E363 VanDerWaalsContact O-N 3.08Å; A361-N366 HydrophobicContact CB-CB 3.89Å; A361-L367 HydrophobicContact CB-CD2 3.56Å; A361-L367 HydrophobicContact CB-CG 4.27Å
362E57.1Low68.1Low143 Ų14388.8 Ų88.867%0.66843%0.428SS*.SBendtrans-59.9-24.4-171.1-67.4-172.6159.700110.3R105 K360R105-E362 VanDerWaalsContact CZ-O 3.22Å; R105-E362 PolarHBondContact NH2-O 2.72Å; K360-E362 HydrophobicContact CB-CG 4.42Å; K360-E362 WeakPolarHBondContact O-CG 3.42Å; K360-E362 PolarHBondContact O-N 2.71Å
363E62.8Low68.3Low121 Ų12193.6 Ų93.657%0.56544%0.443SS*.SBendtrans-132.1152.6179.1-60.1-18016600110.6A361 D365 N366A361-E363 PolarHBondContact O-N 3.39Å; A361-E363 VanDerWaalsContact O-N 3.08Å; E363-D365 PolarHBondContact O-N 2.86Å; E363-N366 PolarHBondContact N-ND2 2.99Å; E363-N366 VanDerWaalsContact O-CB 3.32Å; E363-N366 WeakPolarHBondContact O-CB 3.42Å; E363-N366 PolarHBondContact O-N 2.72Å
364A64.1Low68.9Low21 Ų2188.1 Ų88.117%0.17442%0.422CS..G310 helixtrans-61-26.1179.200000113.3N366 L367A364-N366 VanDerWaalsContact C-N 3.25Å; A364-N366 PolarHBondContact O-N 2.99Å; A364-L367 WeakPolarHBondContact O-CB 3.41Å; A364-L367 PolarHBondContact O-N 2.79Å
365D71.8Confident70.1Confident133 Ų13383.8 Ų83.871%0.71141%0.408SS*.G310 helixtrans-74.9-13.7177.4-70.9-24.3000113.4E363 L367E363-D365 PolarHBondContact O-N 2.86Å; D365-L367 PolarHBondContact O-N 2.8Å
366N78.2Confident71.5Confident27 Ų2777 Ų7714%0.14438%0.38CS..G310 helixtrans-76.8-2.9172.3-67.6-29000112.9T3 K4 R5 A361 E363 A364T3-N366 WeakPolarHBondContact O-CB 3.13Å; K4-N366 VanDerWaalsContact CA-O 3.24Å; K4-N366 WeakPolarHBondContact CA-O 3.49Å; R5-N366 PolarHBondContact N-O 2.91Å; A361-N366 HydrophobicContact CB-CB 3.89Å; E363-N366 PolarHBondContact N-ND2 2.99Å; E363-N366 VanDerWaalsContact O-CB 3.32Å; E363-N366 WeakPolarHBondContact O-CB 3.42Å; E363-N366 PolarHBondContact O-N 2.72Å; A364-N366 VanDerWaalsContact C-N 3.25Å; A364-N366 PolarHBondContact O-N 2.99Å
367L82.5Confident72.7Confident7 Ų776.1 Ų76.14%0.03738%0.38CS..EExtended strand (participates in β ladder)trans-88.4107.8176.3-60.4-179.5000111.7R5 I7 V102 R105 L106 A361 A364 D365 I369R5-L367 HydrophobicContact CB-CD2 4.14Å; R5-L367 WeakPolarHBondContact O-CA 3.42Å; I7-L367 HydrophobicContact CD1-CB 4Å; I7-L367 HydrophobicContact CD1-CD1 3.68Å; I7-L367 HydrophobicContact CD1-CD2 3.71Å; I7-L367 HydrophobicContact CD1-CG 3.99Å; I7-L367 HydrophobicContact CG1-CD2 4.41Å; V102-L367 HydrophobicContact CG1-CD2 4.3Å; R105-L367 HydrophobicContact CB-CD1 3.79Å; L106-L367 HydrophobicContact CD2-CD1 4.02Å; L106-L367 HydrophobicContact CG-CD1 4.13Å; A361-L367 HydrophobicContact CB-CD2 3.56Å; A361-L367 HydrophobicContact CB-CG 4.27Å; A364-L367 WeakPolarHBondContact O-CB 3.41Å; A364-L367 PolarHBondContact O-N 2.79Å; D365-L367 PolarHBondContact O-N 2.8Å; L367-I369 PolarHBondContact O-N 2.87Å
368I86Confident73.5Confident71 Ų7179.8 Ų79.836%0.36439%0.392SS..EExtended strand (participates in β ladder)trans-82.7112.9173.8-59.6172.5000109K4 R5 S6 I7 Q370K4-I368 HydrophobicContact CB-CD1 3.55Å; K4-I368 HydrophobicContact CB-CG1 3.94Å; K4-I368 HydrophobicContact CD-CD1 3.71Å; K4-I368 HydrophobicContact CD-CG1 4.01Å; K4-I368 HydrophobicContact CG-CD1 4.23Å; K4-I368 HydrophobicContact CG-CG1 4.46Å; R5-I368 PolarHBondContact O-N 2.9Å; S6-I368 CarbonylContact C-O 3.54Å; S6-I368 VanDerWaalsContact CA-O 3.3Å; S6-I368 WeakPolarHBondContact CA-O 3.38Å; I7-I368 PolarHBondContact N-O 2.77Å; I368-Q370 HydrophobicContact CG2-CG 4.02Å; I368-Q370 PolarHBondContact O-N 3.49Å
369I88.4Confident73.6Confident55 Ų5579.1 Ų79.128%0.28239%0.386SS..EExtended strand (participates in β ladder)trans-86.2112.4176.8-61.8168000109.6K9 Y20 F110 L367K9-I369 HydrophobicContact CB-CG2 3.52Å; K9-I369 HydrophobicContact CD-CG2 3.77Å; K9-I369 HydrophobicContact CG-CG2 4.27Å; Y20-I369 HydrophobicContact CD1-CD1 4.43Å; Y20-I369 HydrophobicContact CD1-CG2 4.29Å; Y20-I369 HydrophobicContact CE1-CD1 3.91Å; Y20-I369 HydrophobicContact CE1-CG1 4.41Å; Y20-I369 HydrophobicContact CE1-CG2 3.99Å; F110-I369 HydrophobicContact CZ-CD1 4.44Å; L367-I369 PolarHBondContact O-N 2.87Å
370Q91.1Very high73.3Confident80 Ų8082.7 Ų82.737%0.37440%0.401SS..EExtended strand (participates in β ladder)trans-104.2158176.5-59.4-171.1-1.300111.5S6 I7 Y8 K9 I368S6-Q370 PolarHBondContact OG-NE2 2.86Å; I7-Q370 PolarHBondContact O-N 2.94Å; Y8-Q370 CarbonylContact C-O 3.44Å; Y8-Q370 WeakPolarHBondContact CA-O 3.42Å; Y8-Q370 HydrophobicContact CD1-CB 4.46Å; K9-Q370 PolarHBondContact N-O 3.48Å; I368-Q370 HydrophobicContact CG2-CG 4.02Å; I368-Q370 PolarHBondContact O-N 3.49Å
371K92.4Very high72.9Confident180 Ų18081.1 Ų81.178%0.78340%0.396SS*.EExtended strand (participates in β ladder)trans-69140.8171.3-69.2-177.7-179.5174.70109.9K373K371-K373 PolarHBondContact O-N 2.78Å
372F90.9Very high72.5Confident19 Ų1986 Ų868%0.08342%0.42CS..SBendtrans-65.7-16176.4-175-90.8000114.2K9 K10 L21 R24 L167 V168 I169 R374K9-F372 WeakPolarHBondContact O-CB 3.36Å; K9-F372 PolarHBondContact O-N 3.26Å; K10-F372 HydrophobicContact CB-CB 4.15Å; L21-F372 HydrophobicContact CD2-CE2 3.84Å; R24-F372 HydrophobicContact CB-CE2 4.08Å; R24-F372 HydrophobicContact CB-CZ 4.43Å; R24-F372 VanDerWaalsContact CD-CD2 3.45Å; R24-F372 VanDerWaalsContact CD-CE2 3.43Å; R24-F372 HydrophobicContact CG-CD2 3.71Å; R24-F372 HydrophobicContact CG-CE2 3.38Å; R24-F372 HydrophobicContact CG-CZ 4.09Å; R24-F372 VanDerWaalsContact NH1-C 3.3Å; R24-F372 PolarHBondContact NH1-O 2.96Å; L167-F372 HydrophobicContact CB-CD2 4.4Å; L167-F372 HydrophobicContact CB-CE1 3.96Å; L167-F372 HydrophobicContact CB-CE2 3.77Å; L167-F372 HydrophobicContact CB-CZ 3.56Å; L167-F372 HydrophobicContact CD1-CD2 4.3Å; L167-F372 HydrophobicContact CD1-CE2 4.22Å; L167-F372 HydrophobicContact CD2-CB 4.1Å; L167-F372 HydrophobicContact CD2-CD1 3.61Å; L167-F372 HydrophobicContact CD2-CD2 3.65Å; L167-F372 HydrophobicContact CD2-CE1 3.92Å; L167-F372 HydrophobicContact CD2-CE2 3.91Å; L167-F372 HydrophobicContact CD2-CG 3.5Å; L167-F372 HydrophobicContact CD2-CZ 4.06Å; L167-F372 HydrophobicContact CG-CD2 4.35Å; L167-F372 HydrophobicContact CG-CE2 4.19Å; L167-F372 HydrophobicContact CG-CZ 4.34Å; V168-F372 VanDerWaalsContact O-CZ 3.22Å; V168-F372 WeakPolarHBondContact O-CZ 3.38Å; I169-F372 HydrophobicContact CG2-CE2 4.33Å; I169-F372 HydrophobicContact CG2-CZ 4.18Å; F372-R374 PolarHBondContact O-N 2.94Å
373K89.1Confident71.9Confident170 Ų17081.1 Ų81.174%0.73940%0.402SS*.SBendtrans-64.2134.5-179.9-170.2176.4178-178.20110.3R24 K371R24-K373 VanDerWaalsContact NH1-C 3.29Å; R24-K373 PolarHBondContact NH1-O 2.75Å; R24-K373 VanDerWaalsContact NH1-O 3.1Å; K371-K373 PolarHBondContact O-N 2.78Å
374R88.1Confident71Confident20 Ų2081.5 Ų81.58%0.07540%0.402CS..PPolyproline II helixtrans-76.6143.1173.1-68.1-175.1-169.5-94.51.3110.2R24 D25 H300 D302 F372R24-R374 PolarHBondContact O-NH2 3.01Å; D25-R374 IonicContact OD1-CZ 2.81Å; D25-R374 IonicContact OD1-NH1 3.02Å; D25-R374 PolarHBondContact OD1-NH1 3.25Å; D25-R374 IonicContact OD1-NH2 2.84Å; D25-R374 PolarHBondContact OD1-NH2 3.17Å; D25-R374 IonicContact OD2-NH1 3.14Å; D25-R374 PolarHBondContact OD2-NH1 3.04Å; D25-R374 IonicContact OD2-NH2 3.41Å; H300-R374 HydrophobicContact CB-CB 4.25Å; D302-R374 WeakPolarHBondContact OD1-CD 3.49Å; D302-R374 WeakPolarHBondContact OD2-CD 3.4Å; D302-R374 IonicContact OD2-CZ 3.59Å; D302-R374 IonicContact OD2-NE 3.98Å; D302-R374 IonicContact OD2-NH1 3.25Å; D302-R374 PolarHBondContact OD2-NH1 2.83Å; F372-R374 PolarHBondContact O-N 2.94Å
375P87.3Confident69.9Low60 Ų6086.7 Ų86.739%0.3942%0.422SS..PPolyproline II helixtrans-56.4140.1172.3-21.332.4000110.9H300 Q301H300-P375 WeakPolarHBondContact CA-O 3.23Å; Q301-P375 HydrophobicContact CB-CB 4.38Å; Q301-P375 PolarHBondContact N-O 2.82Å; Q301-P375 VanDerWaalsContact N-O 3.15Å
376S81.9Confident68.6Low33 Ų3383.8 Ų83.823%0.23141%0.409CS..BIsolated β-bridgetrans-96.5143.8178.961.50000112.1K299 K378 Q379K299-S376 CarbonylContact O-C 3.59Å; K299-S376 WeakPolarHBondContact O-CA 3.04Å; S376-K378 VanDerWaalsContact C-N 3.26Å; S376-K378 PolarHBondContact O-N 3.25Å; S376-Q379 PolarHBondContact O-N 3.33Å; S376-Q379 WeakPolarHBondContact OG-CG 3.36Å
377T73.7Confident67.1Low61 Ų6189 Ų8937%0.37443%0.433SS..Hα-helixtrans-60.5-34.6-178.2-37.10000112.5L298 K299 Q379 H380L298-T377 PolarHBondContact O-OG1 2.84Å; K299-T377 PolarHBondContact O-N 2.98Å; K299-T377 PolarHBondContact O-OG1 3.29Å; T377-Q379 VanDerWaalsContact C-N 3.35Å; T377-Q379 PolarHBondContact O-N 3.05Å; T377-H380 PolarHBondContact O-N 2.66Å
378K60.1Low65.4Low145 Ų14597.6 Ų97.663%0.6347%0.465SS*.Hα-helixtrans-65-30.2-179.8-70-169.7178.1-173.80114.2S376 H380 Q381 I382S376-K378 VanDerWaalsContact C-N 3.26Å; S376-K378 PolarHBondContact O-N 3.25Å; K378-H380 PolarHBondContact O-N 3.29Å; K378-Q381 PolarHBondContact O-N 3.3Å; K378-I382 PolarHBondContact O-N 2.89Å
379Q48.1Very low63.6Low128 Ų128101.2 Ų101.260%0.59848%0.482SS*.Hα-helixtrans-64.8-23.8179.8-76.9178.9-20.400112S376 T377 S383S376-Q379 PolarHBondContact O-N 3.33Å; S376-Q379 WeakPolarHBondContact OG-CG 3.36Å; T377-Q379 VanDerWaalsContact C-N 3.35Å; T377-Q379 PolarHBondContact O-N 3.05Å; Q379-S383 PolarHBondContact O-N 2.84Å; Q379-S383 PolarHBondContact O-OG 2.94Å
380H42.4Very low61.8Low96 Ų96105 Ų10544%0.44450%0.502SS..Hα-helixtrans-84.6-27.1178.8-135.7-6000113.9T377 K378 S383 K384T377-H380 PolarHBondContact O-N 2.66Å; K378-H380 PolarHBondContact O-N 3.29Å; H380-S383 VanDerWaalsContact CA-OG 3.25Å; H380-S383 WeakPolarHBondContact CA-OG 3.49Å; H380-S383 PolarHBondContact ND1-OG 2.89Å; H380-S383 VanDerWaalsContact ND1-OG 3.15Å; H380-S383 PolarHBondContact O-OG 3.02Å; H380-S383 VanDerWaalsContact O-OG 3.06Å; H380-K384 WeakPolarHBondContact O-CB 3.37Å; H380-K384 WeakPolarHBondContact O-CG 3.24Å; H380-K384 PolarHBondContact O-N 3.23Å
381Q43.3Very low59.9Low126 Ų126105.4 Ų105.459%0.58951%0.514SS*.Hα-helixtrans-68.3-42.7174.9-74.3179.3-20.700111K378 K384 E385K378-Q381 PolarHBondContact O-N 3.3Å; Q381-K384 PolarHBondContact O-N 2.85Å; Q381-E385 PolarHBondContact O-N 3.35Å
382I42.2Very low57.5Low110 Ų110108.2 Ų108.256%0.56453%0.527SS*.Hα-helixtrans-64-43.7177.4-60.1170.5000110.5K378 K384 E385 T386K378-I382 PolarHBondContact O-N 2.89Å; I382-K384 PolarHBondContact O-N 2.92Å; I382-E385 PolarHBondContact O-N 3.39Å; I382-T386 PolarHBondContact O-N 3.35Å; I382-T386 PolarHBondContact O-OG1 3.23Å
383S45.7Very low55.8Low41 Ų41112.7 Ų112.729%0.28755%0.549SS..Hα-helixtrans-64.1-38.5177.139.40000112.9Q379 H380 E385 T386 E387Q379-S383 PolarHBondContact O-N 2.84Å; Q379-S383 PolarHBondContact O-OG 2.94Å; H380-S383 VanDerWaalsContact CA-OG 3.25Å; H380-S383 WeakPolarHBondContact CA-OG 3.49Å; H380-S383 PolarHBondContact ND1-OG 2.89Å; H380-S383 VanDerWaalsContact ND1-OG 3.15Å; H380-S383 PolarHBondContact O-OG 3.02Å; H380-S383 VanDerWaalsContact O-OG 3.06Å; S383-E385 VanDerWaalsContact C-N 3.31Å; S383-E385 PolarHBondContact O-N 2.88Å; S383-T386 PolarHBondContact O-N 3.26Å; S383-E387 WeakPolarHBondContact O-CG 3.3Å; S383-E387 PolarHBondContact O-N 3.05Å
384K43.2Very low54.1Low129 Ų129109.6 Ų109.656%0.56154%0.539SS*.Hα-helixtrans-67.7-29.8174.2-76.3-174.5176.6-1720113.4H380 Q381 I382 R388H380-K384 WeakPolarHBondContact O-CB 3.37Å; H380-K384 WeakPolarHBondContact O-CG 3.24Å; H380-K384 PolarHBondContact O-N 3.23Å; Q381-K384 PolarHBondContact O-N 2.85Å; I382-K384 PolarHBondContact O-N 2.92Å; K384-R388 PolarHBondContact O-N 2.96Å
385E42.6Very low52.2Low130 Ų130114.6 Ų114.661%0.60757%0.565SS**Hα-helixtrans-74-39.9173.4-78.1178167.900111.6Q381 I382 S383 R388 M389Q381-E385 PolarHBondContact O-N 3.35Å; I382-E385 PolarHBondContact O-N 3.39Å; S383-E385 VanDerWaalsContact C-N 3.31Å; S383-E385 PolarHBondContact O-N 2.88Å; E385-R388 PolarHBondContact O-N 3.08Å; E385-M389 PolarHBondContact O-N 3.29Å
386T43.6Very low50.1Low71 Ų71117.8 Ų117.844%0.43658%0.575SS.*Hα-helixtrans-65.3-43.3175.2-36.40000111.8I382 S383 R388 M389 D390I382-T386 PolarHBondContact O-N 3.35Å; I382-T386 PolarHBondContact O-OG1 3.23Å; S383-T386 PolarHBondContact O-N 3.26Å; T386-R388 PolarHBondContact O-N 2.72Å; T386-M389 PolarHBondContact O-N 3.13Å; T386-D390 PolarHBondContact O-N 3.43Å
387E46.5Very low48.1Very low136 Ų136123.1 Ų123.164%0.63660%0.597SS**Hα-helixtrans-62.9-29.1175.7-75.2176177.800112.9S383 S391S383-E387 WeakPolarHBondContact O-CG 3.3Å; S383-E387 PolarHBondContact O-N 3.05Å; E387-S391 PolarHBondContact O-OG 3.24Å
388R46.6Very low46.4Very low188 Ų188127.3 Ų127.371%0.70961%0.612SS**Hα-helixtrans-75.3-32172-83.9-174.4-172.7172.92113.1K384 E385 T386 S391 F392K384-R388 PolarHBondContact O-N 2.96Å; E385-R388 PolarHBondContact O-N 3.08Å; T386-R388 PolarHBondContact O-N 2.72Å; R388-S391 PolarHBondContact O-OG 3.18Å; R388-F392 VanDerWaalsContact O-CD2 3.25Å; R388-F392 WeakPolarHBondContact O-CD2 3.14Å
389M48.5Very low45.4Very low147 Ų147126 Ų12672%0.72461%0.61SS**Hα-helixtrans-74.5-31.9177.1-71-171.878.500112.1E385 T386 S391E385-M389 PolarHBondContact O-N 3.29Å; T386-M389 PolarHBondContact O-N 3.13Å; M389-S391 PolarHBondContact O-N 3.44Å
390D51.5Low45.2Very low134 Ų134125.8 Ų125.872%0.71761%0.611SS**THydrogen-bonded Turntrans-78.6-3.6177.2-67.9-20.9000113.6T386T386-D390 PolarHBondContact O-N 3.43Å
391S49.3Very low45.5Very low89 Ų89128.3 Ų128.362%0.62263%0.625SS**THydrogen-bonded Turntrans-104.810.117546.30000114.3E387 R388 M389E387-S391 PolarHBondContact O-OG 3.24Å; R388-S391 PolarHBondContact O-OG 3.18Å; M389-S391 PolarHBondContact O-N 3.44Å
392F42.7Very low45.7Very low239 Ų239128.5 Ų128.5100%1.04863%0.628SS**  trans-111.20163.1-74-80.8000109.7R388R388-F392 VanDerWaalsContact O-CD2 3.25Å; R388-F392 WeakPolarHBondContact O-CD2 3.14Å

Retrieved 392 of 392 residues in 145.2 ms (Link to these results)

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