A0A087XQ76_POEFO Loading...

Cellular retinoic acid-binding protein 1

Cytosolic CRABPs may regulate the access of retinoic acid to the nuclear retinoic acid receptors.

AlphaFold DB , UniProt , Accession A0A087XQ76, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 135 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
1M79.8Confident94.1Very high160 Ų16047.4 Ų47.479%0.78827%0.271SS*.  0133.90-113.5-171.6-158.300108.1E3 A4M1-E3 VanDerWaalsContact CA-OE2 3.32Å; M1-E3 WeakPolarHBondContact CA-OE2 2.92Å; M1-E3 WeakPolarHBondContact CB-OE2 3.32Å; M1-E3 WeakPolarHBondContact CG-OE2 2.95Å; M1-E3 PolarHBondContact O-N 2.68Å; M1-E3 HydrophobicContact SD-CG 4.47Å; M1-A4 PolarHBondContact O-N 3.15Å
2V90.4Very high94.3Very high16 Ų1652.5 Ų52.510%0.09729%0.287CS..G310 helixtrans-65.6-24.2-179.41730000111.8A4 F5 V45 V50 V67 V89 L94V2-A4 PolarHBondContact O-N 2.82Å; V2-A4 VanDerWaalsContact O-N 3.12Å; V2-F5 WeakPolarHBondContact O-CA 3.13Å; V2-F5 WeakPolarHBondContact O-CB 3.48Å; V2-F5 WeakPolarHBondContact O-CD2 3.3Å; V2-F5 PolarHBondContact O-N 3.4Å; V2-V45 HydrophobicContact CB-CG2 4.44Å; V2-V45 HydrophobicContact CG1-CG2 3.63Å; V2-V50 HydrophobicContact CG1-CG1 3.97Å; V2-V50 HydrophobicContact CG1-CG2 3.8Å; V2-V50 HydrophobicContact CG2-CG2 4.43Å; V2-V67 HydrophobicContact CG2-CG2 3.71Å; V2-V89 HydrophobicContact CG2-CG2 3.71Å; V2-L94 HydrophobicContact CG2-CD1 4.16Å
3E92Very high94.4Very high107 Ų10755.7 Ų55.750%0.530%0.299SS..G310 helixtrans-54.1-31.8179.6-63.983.5167.200112.2M1 F5 V6M1-E3 VanDerWaalsContact CA-OE2 3.32Å; M1-E3 WeakPolarHBondContact CA-OE2 2.92Å; M1-E3 WeakPolarHBondContact CB-OE2 3.32Å; M1-E3 WeakPolarHBondContact CG-OE2 2.95Å; M1-E3 PolarHBondContact O-N 2.68Å; M1-E3 HydrophobicContact SD-CG 4.47Å; E3-F5 PolarHBondContact O-N 2.83Å; E3-V6 WeakPolarHBondContact O-CB 3.46Å; E3-V6 PolarHBondContact O-N 3.08Å; E3-V6 VanDerWaalsContact O-N 3.15Å
4A93.6Very high94.5Very high55 Ų5554.9 Ų54.946%0.45530%0.3SS..G310 helixtrans-61.8-26.7174.800000113M1 V2M1-A4 PolarHBondContact O-N 3.15Å; V2-A4 PolarHBondContact O-N 2.82Å; V2-A4 VanDerWaalsContact O-N 3.12Å
5F96.1Very high94.7Very high2 Ų255.7 Ų55.71%0.00930%0.301CS..G310 helixtrans-86.6-14.3179.6-59.5-87.1000113V2 E3 G7 W9 I43 G92 L94 R109 V111 L116V2-F5 WeakPolarHBondContact O-CA 3.13Å; V2-F5 WeakPolarHBondContact O-CB 3.48Å; V2-F5 WeakPolarHBondContact O-CD2 3.3Å; V2-F5 PolarHBondContact O-N 3.4Å; E3-F5 PolarHBondContact O-N 2.83Å; F5-G7 PolarHBondContact O-N 2.97Å; F5-W9 PolarHBondContact O-NE1 2.87Å; F5-I43 HydrophobicContact CB-CD1 4.07Å; F5-I43 HydrophobicContact CB-CG2 4.25Å; F5-I43 WeakPolarHBondContact O-CB 3.43Å; F5-G92 WeakPolarHBondContact CZ-O 3.5Å; F5-L94 HydrophobicContact CD1-CB 4.27Å; F5-L94 HydrophobicContact CD2-CB 4.22Å; F5-L94 HydrophobicContact CE1-CB 3.92Å; F5-L94 HydrophobicContact CE2-CB 3.85Å; F5-L94 HydrophobicContact CG-CB 4.42Å; F5-L94 HydrophobicContact CZ-CB 3.7Å; F5-R109 HydrophobicContact CD1-CB 4Å; F5-R109 HydrophobicContact CE1-CB 3.67Å; F5-R109 VanDerWaalsContact CE1-O 3.26Å; F5-R109 WeakPolarHBondContact CE1-O 3.12Å; F5-R109 WeakPolarHBondContact CZ-O 3.35Å; F5-V111 HydrophobicContact CD1-CG2 3.48Å; F5-V111 VanDerWaalsContact CD1-CG2 3.48Å; F5-V111 HydrophobicContact CE1-CB 4.42Å; F5-V111 HydrophobicContact CE1-CG2 3.71Å; F5-V111 HydrophobicContact CG-CG2 4.2Å; F5-L116 HydrophobicContact CD1-CD1 4.42Å
6V96.8Very high94.8Very high53 Ų5360.6 Ų60.632%0.32132%0.318SS..  trans-64.7129.6-176.4174.70000110.9E3 I43 V45 K133E3-V6 WeakPolarHBondContact O-CB 3.46Å; E3-V6 PolarHBondContact O-N 3.08Å; E3-V6 VanDerWaalsContact O-N 3.15Å; V6-I43 WeakPolarHBondContact CA-O 3.49Å; V6-V45 HydrophobicContact CG2-CB 4.34Å; V6-V45 HydrophobicContact CG2-CG2 3.7Å; V6-K133 PolarHBondContact O-NZ 3.4Å
7G96.9Very high94.9Very high17 Ų1758.9 Ų58.918%0.17531%0.308CS..EExtended strand (participates in β ladder)trans144.2-177.1178.900000113.2F5 I42 I43F5-G7 PolarHBondContact O-N 2.97Å; G7-I42 WeakPolarHBondContact O-CA 3.47Å; G7-I43 PolarHBondContact N-O 2.81Å; G7-I43 PolarHBondContact O-N 2.94Å
8T98.1Very high94.9Very high51 Ų5158 Ų5831%0.31330%0.304SS..EExtended strand (participates in β ladder)trans-101.4129.9176.1-60.30000108.7T40 T41 I42 K133 A134T8-T40 HydrophobicContact CG2-CG2 3.39Å; T8-T41 CarbonylContact C-O 3.58Å; T8-I42 HydrophobicContact CG2-CG1 4.19Å; T8-K133 CarbonylContact O-C 3.58Å; T8-K133 WeakPolarHBondContact O-CA 3.4Å; T8-A134 HydrophobicContact CG2-CB 3.74Å; T8-A134 PolarHBondContact O-N 3.1Å
9W98.2Very high95Very high1 Ų159.1 Ų59.10%0.00431%0.31CS..EExtended strand (participates in β ladder)trans-127.8120.9-171.9-61.497000109.9F5 T40 T41 V111 L116 Y131 E132 K133F5-W9 PolarHBondContact O-NE1 2.87Å; W9-T40 CarbonylContact O-C 3.6Å; W9-T40 WeakPolarHBondContact O-CA 3.45Å; W9-T41 WeakPolarHBondContact CB-O 3.37Å; W9-T41 PolarHBondContact N-O 2.67Å; W9-T41 PolarHBondContact O-N 2.89Å; W9-V111 HydrophobicContact CH2-CG1 3.9Å; W9-V111 HydrophobicContact CH2-CG2 4.06Å; W9-V111 HydrophobicContact CZ2-CG1 4.32Å; W9-V111 HydrophobicContact CZ2-CG2 3.94Å; W9-L116 HydrophobicContact CD2-CB 3.75Å; W9-L116 HydrophobicContact CD2-CD1 3.79Å; W9-L116 HydrophobicContact CD2-CG 4.42Å; W9-L116 HydrophobicContact CE3-CB 3.41Å; W9-L116 VanDerWaalsContact CE3-CB 3.41Å; W9-L116 HydrophobicContact CE3-CD1 4.35Å; W9-L116 HydrophobicContact CG-CB 4.46Å; W9-L116 HydrophobicContact CG-CD1 3.95Å; W9-L116 HydrophobicContact CH2-CB 4.04Å; W9-L116 HydrophobicContact CZ2-CB 4.33Å; W9-L116 HydrophobicContact CZ2-CD1 4.24Å; W9-L116 HydrophobicContact CZ3-CB 3.57Å; W9-Y131 HydrophobicContact CB-CD1 4.17Å; W9-Y131 HydrophobicContact CB-CG 4.38Å; W9-E132 CarbonylContact C-O 3.57Å; W9-E132 WeakPolarHBondContact CA-O 3.26Å; W9-K133 HydrophobicContact CE3-CB 3.92Å; W9-K133 HydrophobicContact CE3-CG 4.33Å; W9-K133 HydrophobicContact CH2-CB 4.11Å; W9-K133 HydrophobicContact CH2-CD 4.06Å; W9-K133 HydrophobicContact CH2-CG 4.19Å; W9-K133 HydrophobicContact CZ2-CD 4.24Å; W9-K133 HydrophobicContact CZ2-CG 4.38Å; W9-K133 HydrophobicContact CZ3-CB 3.66Å; W9-K133 HydrophobicContact CZ3-CD 4.48Å; W9-K133 HydrophobicContact CZ3-CG 4.16Å
10N97.1Very high95.1Very high48 Ų4856.7 Ų56.726%0.25730%0.296SS..EExtended strand (participates in β ladder)trans-100.6126-178.9-67.9-45.7000110.3K12 T40 Y131 E132N10-K12 PolarHBondContact O-N 3.12Å; N10-T40 WeakPolarHBondContact OD1-CG2 3.34Å; N10-T40 PolarHBondContact OD1-OG1 3.33Å; N10-Y131 CarbonylContact O-C 3.56Å; N10-Y131 VanDerWaalsContact O-CA 3.24Å; N10-Y131 WeakPolarHBondContact O-CA 3.39Å; N10-E132 PolarHBondContact N-O 3.37Å; N10-E132 PolarHBondContact O-N 3.12Å
11L96.5Very high95.1Very high11 Ų1154.6 Ų54.66%0.05829%0.285CS..EExtended strand (participates in β ladder)trans-63129.2176.9-175.679.7000110.9E13 P39 R129 Y131L11-E13 WeakPolarHBondContact CD1-O 3.42Å; L11-P39 WeakPolarHBondContact CB-O 3.27Å; L11-P39 PolarHBondContact N-O 3.49Å; L11-R129 HydrophobicContact CD1-CB 3.84Å; L11-R129 HydrophobicContact CD1-CG 4.38Å; L11-Y131 HydrophobicContact CB-CD1 3.99Å; L11-Y131 HydrophobicContact CB-CE1 3.83Å; L11-Y131 HydrophobicContact CD1-CD1 4.21Å; L11-Y131 HydrophobicContact CD1-CD2 4.2Å; L11-Y131 HydrophobicContact CD1-CE1 3.81Å; L11-Y131 HydrophobicContact CD1-CE2 3.76Å; L11-Y131 HydrophobicContact CD1-CG 4.39Å; L11-Y131 HydrophobicContact CG-CE1 4.46Å
12K96.1Very high95.9Very high109 Ų10953.1 Ų53.147%0.47428%0.275SS..EExtended strand (participates in β ladder)trans-109.5-41.6174.9-59.4-59.5166.4113.70112.5N10 R130 E132N10-K12 PolarHBondContact O-N 3.12Å; K12-R130 PolarHBondContact N-O 3.3Å; K12-E132 VanDerWaalsContact CE-OE2 3.27Å; K12-E132 WeakPolarHBondContact CE-OE2 3.41Å; K12-E132 HydrophobicContact CG-CB 4.09Å; K12-E132 HydrophobicContact CG-CG 3.75Å; K12-E132 IonicContact NZ-OE2 3.05Å; K12-E132 PolarHBondContact NZ-OE2 2.84Å
13E95.6Very high96.1Very high94 Ų9456.8 Ų56.844%0.43929%0.291SS..EExtended strand (participates in β ladder)trans-140.3147-174.4-169.2179.7-170.300111.1L11 R129 R130L11-E13 WeakPolarHBondContact CD1-O 3.42Å; E13-R129 CarbonylContact O-C 3.49Å; E13-R129 WeakPolarHBondContact O-CA 3.46Å; E13-R130 HydrophobicContact CB-CB 4.25Å; E13-R130 PolarHBondContact N-O 3.42Å; E13-R130 PolarHBondContact O-N 3.23Å; E13-R130 IonicContact OE1-NH1 3.72Å; E13-R130 PolarHBondContact OE1-NH1 3.39Å; E13-R130 IonicContact OE2-CZ 3.01Å; E13-R130 IonicContact OE2-NH1 3.03Å; E13-R130 PolarHBondContact OE2-NH1 3.02Å
14S95.6Very high96.1Very high45 Ų4552.5 Ų52.532%0.31527%0.271SS..EExtended strand (participates in β ladder)trans-146.9121.4177.3-177.50000109.8F17 M128 R129S14-F17 VanDerWaalsContact OG-CB 3.26Å; S14-F17 WeakPolarHBondContact OG-CB 3.45Å; S14-M128 WeakPolarHBondContact CA-O 3.5Å; S14-R129 PolarHBondContact OG-NH1 2.81Å
15E97.1Very high96Very high66 Ų6652.9 Ų52.931%0.30828%0.28SS..EExtended strand (participates in β ladder)trans-112137.4179.5-63.3175.7-142.900110.1F17 C127 M128 R130E15-F17 PolarHBondContact O-N 3.4Å; E15-F17 VanDerWaalsContact O-N 3.11Å; E15-C127 WeakPolarHBondContact O-CA 3.35Å; E15-C127 WeakPolarHBondContact O-CB 3.41Å; E15-C127 PolarHBondContact O-SG 2.76Å; E15-M128 PolarHBondContact N-O 2.81Å; E15-M128 PolarHBondContact O-N 3.35Å; E15-M128 WeakPolarHBondContact OE2-CE 3.45Å; E15-R130 IonicContact OE1-CZ 2.71Å; E15-R130 VanDerWaalsContact OE1-CZ 3.32Å; E15-R130 IonicContact OE1-NH1 3.75Å; E15-R130 PolarHBondContact OE1-NH1 3.15Å; E15-R130 IonicContact OE1-NH2 2.71Å; E15-R130 PolarHBondContact OE1-NH2 3.22Å
16K96.9Very high95.8Very high134 Ų13453.6 Ų53.658%0.58329%0.285SS*.SBendtrans56.723.5176-61.2-177173.6-178.50115.9D19 Y20 V126 C127K16-D19 PolarHBondContact O-N 2.96Å; K16-Y20 PolarHBondContact O-N 2.98Å; K16-V126 WeakPolarHBondContact CD-O 3.46Å; K16-C127 HydrophobicContact CB-CB 4.43Å
17F95.9Very high95.7Very high33 Ų3353.1 Ų53.115%0.14529%0.29CS..Hα-helixtrans-70.5-32.5-179.7-171.3-125000113.1S14 E15 Y20 M21 L120 R129S14-F17 VanDerWaalsContact OG-CB 3.26Å; S14-F17 WeakPolarHBondContact OG-CB 3.45Å; E15-F17 PolarHBondContact O-N 3.4Å; E15-F17 VanDerWaalsContact O-N 3.11Å; F17-Y20 HydrophobicContact CD2-CD1 4.14Å; F17-Y20 HydrophobicContact CE2-CD1 4.1Å; F17-Y20 PolarHBondContact O-N 2.92Å; F17-M21 HydrophobicContact CD1-CE 3.43Å; F17-M21 VanDerWaalsContact CD1-CE 3.43Å; F17-M21 HydrophobicContact CD1-CG 4.45Å; F17-M21 HydrophobicContact CD1-SD 4Å; F17-M21 HydrophobicContact CD2-CG 4.33Å; F17-M21 HydrophobicContact CE1-CE 3.56Å; F17-M21 HydrophobicContact CE1-CG 4.15Å; F17-M21 HydrophobicContact CE1-SD 3.5Å; F17-M21 VanDerWaalsContact CE1-SD 3.5Å; F17-M21 HydrophobicContact CE2-CG 4.01Å; F17-M21 HydrophobicContact CE2-SD 4.41Å; F17-M21 HydrophobicContact CG-CE 4.08Å; F17-M21 HydrophobicContact CZ-CE 4.29Å; F17-M21 HydrophobicContact CZ-CG 3.92Å; F17-M21 HydrophobicContact CZ-SD 3.73Å; F17-M21 WeakPolarHBondContact O-CB 3.38Å; F17-M21 WeakPolarHBondContact O-CE 3.48Å; F17-M21 WeakPolarHBondContact O-CG 3.4Å; F17-M21 PolarHBondContact O-N 2.86Å; F17-L120 HydrophobicContact CD2-CD1 4.02Å; F17-L120 HydrophobicContact CE2-CD1 3.94Å; F17-R129 VanDerWaalsContact CG-NH1 3.34Å
18D95.9Very high95.4Very high42 Ų4258.4 Ų58.423%0.22531%0.309CS..Hα-helixtrans-60.1-45.6171.1-163.379.6000111.7M21 K22 R31 N35D18-M21 PolarHBondContact O-N 2.89Å; D18-K22 VanDerWaalsContact O-CB 3.27Å; D18-K22 WeakPolarHBondContact O-CB 3.37Å; D18-K22 PolarHBondContact O-N 3.24Å; D18-R31 WeakPolarHBondContact O-CD 3.48Å; D18-R31 VanDerWaalsContact OD1-CB 3.26Å; D18-R31 WeakPolarHBondContact OD1-CB 3.29Å; D18-R31 IonicContact OD1-NE 3.24Å; D18-R31 PolarHBondContact OD1-NE 2.96Å; D18-R31 IonicContact OD2-NE 3.35Å; D18-R31 PolarHBondContact OD2-NE 2.9Å; D18-R31 IonicContact OD2-NH2 3.33Å; D18-N35 WeakPolarHBondContact CB-ND2 3.38Å; D18-N35 PolarHBondContact N-OD1 3.33Å; D18-N35 PolarHBondContact OD1-ND2 3.43Å; D18-N35 VanDerWaalsContact OD1-ND2 3.15Å
19D97.3Very high95.1Very high78 Ų7859.1 Ų59.142%0.41732%0.32SS..Hα-helixtrans-64-44.5179.4-61-36.9000111K16 K22 E23 V125K16-D19 PolarHBondContact O-N 2.96Å; D19-K22 WeakPolarHBondContact O-CB 3.02Å; D19-K22 PolarHBondContact O-N 2.82Å; D19-E23 PolarHBondContact O-N 2.86Å; D19-V125 HydrophobicContact CB-CG1 3.95Å
20Y97.1Very high94.7Very high11 Ų1163.2 Ų63.24%0.04335%0.345CS..Hα-helixtrans-59.9-48.6176.1175-98.8000111.8K16 F17 K22 E23 L24 T105 L120 I122 C127K16-Y20 PolarHBondContact O-N 2.98Å; F17-Y20 HydrophobicContact CD2-CD1 4.14Å; F17-Y20 HydrophobicContact CE2-CD1 4.1Å; F17-Y20 PolarHBondContact O-N 2.92Å; Y20-K22 VanDerWaalsContact C-N 3.3Å; Y20-K22 PolarHBondContact O-N 3.12Å; Y20-E23 PolarHBondContact O-N 2.96Å; Y20-L24 HydrophobicContact CD1-CD1 3.87Å; Y20-L24 HydrophobicContact CE1-CD1 3.26Å; Y20-L24 HydrophobicContact CE1-CG 4.14Å; Y20-L24 HydrophobicContact CE2-CD1 4.46Å; Y20-L24 WeakPolarHBondContact O-CG 3.39Å; Y20-L24 PolarHBondContact O-N 2.69Å; Y20-T105 WeakPolarHBondContact CE2-OG1 3.41Å; Y20-T105 PolarHBondContact OH-OG1 2.94Å; Y20-L120 HydrophobicContact CD1-CB 4.27Å; Y20-L120 HydrophobicContact CD1-CD1 3.92Å; Y20-L120 HydrophobicContact CD2-CB 3.81Å; Y20-L120 HydrophobicContact CE1-CB 4.09Å; Y20-L120 HydrophobicContact CE1-CD1 3.83Å; Y20-L120 HydrophobicContact CE1-CG 4.42Å; Y20-L120 HydrophobicContact CE2-CB 3.66Å; Y20-L120 HydrophobicContact CG-CB 4.14Å; Y20-L120 HydrophobicContact CG-CD1 4.47Å; Y20-I122 HydrophobicContact CD2-CB 4.45Å; Y20-I122 HydrophobicContact CD2-CG2 3.57Å; Y20-I122 HydrophobicContact CE2-CB 4.09Å; Y20-I122 HydrophobicContact CE2-CG2 3.66Å; Y20-C127 HydrophobicContact CG-CB 4.11Å
21M94.9Very high94.6Very high13 Ų1362.3 Ų62.36%0.06434%0.338CS..Hα-helixtrans-63.7-36.1176.4-74.7-171.5-68.300112F17 D18 L24 G25 V26 R31 N35F17-M21 HydrophobicContact CD1-CE 3.43Å; F17-M21 VanDerWaalsContact CD1-CE 3.43Å; F17-M21 HydrophobicContact CD1-CG 4.45Å; F17-M21 HydrophobicContact CD1-SD 4Å; F17-M21 HydrophobicContact CD2-CG 4.33Å; F17-M21 HydrophobicContact CE1-CE 3.56Å; F17-M21 HydrophobicContact CE1-CG 4.15Å; F17-M21 HydrophobicContact CE1-SD 3.5Å; F17-M21 VanDerWaalsContact CE1-SD 3.5Å; F17-M21 HydrophobicContact CE2-CG 4.01Å; F17-M21 HydrophobicContact CE2-SD 4.41Å; F17-M21 HydrophobicContact CG-CE 4.08Å; F17-M21 HydrophobicContact CZ-CE 4.29Å; F17-M21 HydrophobicContact CZ-CG 3.92Å; F17-M21 HydrophobicContact CZ-SD 3.73Å; F17-M21 WeakPolarHBondContact O-CB 3.38Å; F17-M21 WeakPolarHBondContact O-CE 3.48Å; F17-M21 WeakPolarHBondContact O-CG 3.4Å; F17-M21 PolarHBondContact O-N 2.86Å; D18-M21 PolarHBondContact O-N 2.89Å; M21-L24 WeakPolarHBondContact O-CB 3.49Å; M21-L24 PolarHBondContact O-N 2.85Å; M21-G25 PolarHBondContact O-N 2.89Å; M21-V26 HydrophobicContact CB-CB 4.02Å; M21-V26 HydrophobicContact CB-CG2 4.14Å; M21-V26 WeakPolarHBondContact O-CB 3.43Å; M21-V26 VanDerWaalsContact O-CG2 3.3Å; M21-V26 WeakPolarHBondContact O-CG2 3.26Å; M21-V26 PolarHBondContact O-N 2.88Å; M21-R31 HydrophobicContact CB-CG 3.75Å; M21-R31 HydrophobicContact CE-CB 3.81Å; M21-R31 HydrophobicContact CE-CG 4.18Å; M21-R31 WeakPolarHBondContact CE-O 3.26Å; M21-R31 HydrophobicContact SD-CB 4.45Å; M21-R31 HydrophobicContact SD-CG 4.34Å; M21-N35 WeakPolarHBondContact CE-ND2 3.42Å
22K95.7Very high94.4Very high130 Ų13067 Ų6757%0.56536%0.358SS*.Hα-helixtrans-63.9-44.3176.6-177.7-174.9174-170.50111D18 D19 Y20 L24 G25D18-K22 VanDerWaalsContact O-CB 3.27Å; D18-K22 WeakPolarHBondContact O-CB 3.37Å; D18-K22 PolarHBondContact O-N 3.24Å; D19-K22 WeakPolarHBondContact O-CB 3.02Å; D19-K22 PolarHBondContact O-N 2.82Å; Y20-K22 VanDerWaalsContact C-N 3.3Å; Y20-K22 PolarHBondContact O-N 3.12Å; K22-L24 VanDerWaalsContact C-N 3.3Å; K22-L24 PolarHBondContact O-N 3.19Å; K22-G25 WeakPolarHBondContact O-CA 3.32Å; K22-G25 PolarHBondContact O-N 2.98Å
23E95.2Very high94Very high93 Ų9365.3 Ų65.344%0.43535%0.354SS..Hα-helixtrans-66.6-32.5178.5-167.557.2-146.500112.2D19 Y20 G25 I122 V125D19-E23 PolarHBondContact O-N 2.86Å; Y20-E23 PolarHBondContact O-N 2.96Å; E23-G25 PolarHBondContact O-N 2.98Å; E23-I122 HydrophobicContact CB-CG2 3.69Å; E23-I122 HydrophobicContact CG-CB 4.39Å; E23-I122 HydrophobicContact CG-CD1 4.25Å; E23-I122 HydrophobicContact CG-CG1 4.03Å; E23-I122 HydrophobicContact CG-CG2 3.6Å; E23-V125 HydrophobicContact CB-CG2 4.19Å; E23-V125 HydrophobicContact CG-CG2 4.18Å
24L92.3Very high93.7Very high17 Ų1761.5 Ų61.59%0.08934%0.339CS..THydrogen-bonded Turntrans-65-16.3168.7-74.3175.2000113.8Y20 M21 K22 V26 W100 T105 I122Y20-L24 HydrophobicContact CD1-CD1 3.87Å; Y20-L24 HydrophobicContact CE1-CD1 3.26Å; Y20-L24 HydrophobicContact CE1-CG 4.14Å; Y20-L24 HydrophobicContact CE2-CD1 4.46Å; Y20-L24 WeakPolarHBondContact O-CG 3.39Å; Y20-L24 PolarHBondContact O-N 2.69Å; M21-L24 WeakPolarHBondContact O-CB 3.49Å; M21-L24 PolarHBondContact O-N 2.85Å; K22-L24 VanDerWaalsContact C-N 3.3Å; K22-L24 PolarHBondContact O-N 3.19Å; L24-V26 HydrophobicContact CB-CG2 4.09Å; L24-W100 HydrophobicContact CD2-CH2 3.55Å; L24-W100 HydrophobicContact CD2-CZ2 3.78Å; L24-T105 HydrophobicContact CD2-CG2 4.41Å; L24-I122 HydrophobicContact CD2-CD1 3.59Å; L24-I122 HydrophobicContact CG-CD1 4.21Å
25G91.6Very high93.4Very high63 Ų6362.7 Ų62.765%0.64934%0.342SS*.THydrogen-bonded Turntrans90.813.2-176.100000114.2M21 K22 E23 G27M21-G25 PolarHBondContact O-N 2.89Å; K22-G25 WeakPolarHBondContact O-CA 3.32Å; K22-G25 PolarHBondContact O-N 2.98Å; E23-G25 PolarHBondContact O-N 2.98Å; G25-G27 PolarHBondContact O-N 3.39Å
26V91.9Very high93Very high16 Ų1666.3 Ų66.310%0.09736%0.361CS..  trans-69.4130.9179.2-177.30000110.5M21 L24 T30 R31 D77M21-V26 HydrophobicContact CB-CB 4.02Å; M21-V26 HydrophobicContact CB-CG2 4.14Å; M21-V26 WeakPolarHBondContact O-CB 3.43Å; M21-V26 VanDerWaalsContact O-CG2 3.3Å; M21-V26 WeakPolarHBondContact O-CG2 3.26Å; M21-V26 PolarHBondContact O-N 2.88Å; L24-V26 HydrophobicContact CB-CG2 4.09Å; V26-T30 HydrophobicContact CG1-CG2 3.69Å; V26-R31 HydrophobicContact CB-CG 3.99Å; V26-R31 HydrophobicContact CG1-CG 3.79Å; V26-R31 WeakPolarHBondContact O-CD 3.29Å; V26-R31 PolarHBondContact O-NH1 2.9Å; V26-D77 HydrophobicContact CG2-CB 3.8Å
27G93.4Very high92.6Very high43 Ų4361 Ų6144%0.44334%0.34SS..  trans-63.2148.8-178.900000114.3G25 A29 T30 R31G25-G27 PolarHBondContact O-N 3.39Å; G27-A29 VanDerWaalsContact C-N 3.35Å; G27-A29 PolarHBondContact O-N 2.99Å; G27-T30 PolarHBondContact O-N 2.83Å; G27-T30 VanDerWaalsContact O-N 3.12Å; G27-R31 WeakPolarHBondContact O-CG 3.42Å; G27-R31 PolarHBondContact O-N 2.93Å
28F91.4Very high92.3Very high128 Ų12867 Ų6756%0.56137%0.366SS*.Hα-helixtrans-52.8-44.3-171.4178.9-99.3000114.4R31 K32F28-R31 PolarHBondContact O-N 2.86Å; F28-K32 HydrophobicContact CD1-CG 4.41Å; F28-K32 HydrophobicContact CE1-CG 4.03Å; F28-K32 HydrophobicContact CE2-CG 4.47Å; F28-K32 HydrophobicContact CZ-CD 4.34Å; F28-K32 HydrophobicContact CZ-CG 4.07Å; F28-K32 PolarHBondContact O-N 2.78Å
29A91.3Very high92.1Very high66 Ų6665.5 Ų65.555%0.54536%0.358SS..Hα-helixtrans-61.9-47.5179.500000111.8G27 R31 K32 I33G27-A29 VanDerWaalsContact C-N 3.35Å; G27-A29 PolarHBondContact O-N 2.99Å; A29-R31 VanDerWaalsContact C-N 3.28Å; A29-R31 PolarHBondContact O-N 2.9Å; A29-K32 PolarHBondContact O-N 2.93Å; A29-I33 WeakPolarHBondContact O-CG1 3.41Å; A29-I33 PolarHBondContact O-N 2.96Å; A29-I33 VanDerWaalsContact O-N 3.1Å
30T89.6Confident92Very high87 Ų8763.5 Ų63.553%0.53435%0.349SS..Hα-helixtrans-60.7-38.4176.6-51.30000111.4V26 G27 I33 G34V26-T30 HydrophobicContact CG1-CG2 3.69Å; G27-T30 PolarHBondContact O-N 2.83Å; G27-T30 VanDerWaalsContact O-N 3.12Å; T30-I33 PolarHBondContact O-N 2.95Å; T30-G34 PolarHBondContact O-N 2.84Å
31R94.1Very high92Very high29 Ų2963.2 Ų63.211%0.10935%0.348CS..Hα-helixtrans-65.6-42.7176.4-58.9-160.4-51.4-90.26.1112.8D18 M21 V26 G27 F28 A29 I33 G34 N35D18-R31 WeakPolarHBondContact O-CD 3.48Å; D18-R31 VanDerWaalsContact OD1-CB 3.26Å; D18-R31 WeakPolarHBondContact OD1-CB 3.29Å; D18-R31 IonicContact OD1-NE 3.24Å; D18-R31 PolarHBondContact OD1-NE 2.96Å; D18-R31 IonicContact OD2-NE 3.35Å; D18-R31 PolarHBondContact OD2-NE 2.9Å; D18-R31 IonicContact OD2-NH2 3.33Å; M21-R31 HydrophobicContact CB-CG 3.75Å; M21-R31 HydrophobicContact CE-CB 3.81Å; M21-R31 HydrophobicContact CE-CG 4.18Å; M21-R31 WeakPolarHBondContact CE-O 3.26Å; M21-R31 HydrophobicContact SD-CB 4.45Å; M21-R31 HydrophobicContact SD-CG 4.34Å; V26-R31 HydrophobicContact CB-CG 3.99Å; V26-R31 HydrophobicContact CG1-CG 3.79Å; V26-R31 WeakPolarHBondContact O-CD 3.29Å; V26-R31 PolarHBondContact O-NH1 2.9Å; G27-R31 WeakPolarHBondContact O-CG 3.42Å; G27-R31 PolarHBondContact O-N 2.93Å; F28-R31 PolarHBondContact O-N 2.86Å; A29-R31 VanDerWaalsContact C-N 3.28Å; A29-R31 PolarHBondContact O-N 2.9Å; R31-I33 VanDerWaalsContact C-N 3.29Å; R31-I33 PolarHBondContact O-N 2.85Å; R31-G34 PolarHBondContact O-N 2.82Å; R31-N35 PolarHBondContact O-N 3.35Å; R31-N35 PolarHBondContact O-ND2 3.34Å
32K92.4Very high92.1Very high111 Ų11164.7 Ų64.748%0.48336%0.356SS..Hα-helixtrans-58.4-45.9175.9-74.8-65.9-177.6-174.40111.1F28 A29 M36F28-K32 HydrophobicContact CD1-CG 4.41Å; F28-K32 HydrophobicContact CE1-CG 4.03Å; F28-K32 HydrophobicContact CE2-CG 4.47Å; F28-K32 HydrophobicContact CZ-CD 4.34Å; F28-K32 HydrophobicContact CZ-CG 4.07Å; F28-K32 PolarHBondContact O-N 2.78Å; A29-K32 PolarHBondContact O-N 2.93Å; K32-M36 WeakPolarHBondContact O-CG 3.28Å; K32-M36 PolarHBondContact O-N 3.16Å
33I88.9Confident92.2Very high73 Ų7358.6 Ų58.637%0.37433%0.33SS..Hα-helixtrans-61.9-51176.7-67171.3000110.7A29 T30 R31 N35 M36 T37 I58A29-I33 WeakPolarHBondContact O-CG1 3.41Å; A29-I33 PolarHBondContact O-N 2.96Å; A29-I33 VanDerWaalsContact O-N 3.1Å; T30-I33 PolarHBondContact O-N 2.95Å; R31-I33 VanDerWaalsContact C-N 3.29Å; R31-I33 PolarHBondContact O-N 2.85Å; I33-N35 VanDerWaalsContact C-N 3.31Å; I33-N35 PolarHBondContact O-N 3.09Å; I33-M36 HydrophobicContact CG1-CE 4.43Å; I33-M36 PolarHBondContact O-N 2.91Å; I33-T37 WeakPolarHBondContact O-CG2 3.36Å; I33-T37 PolarHBondContact O-N 2.8Å; I33-I58 HydrophobicContact CG2-CD1 3.14Å; I33-I58 HydrophobicContact CG2-CG1 4.42Å; I33-I58 HydrophobicContact CG2-CG2 4.07Å
34G88.2Confident92.3Very high14 Ų1456.4 Ų56.414%0.14433%0.325CS..Hα-helixtrans-57.1-39.7-179.500000113.7T30 R31 M36 T37T30-G34 PolarHBondContact O-N 2.84Å; R31-G34 PolarHBondContact O-N 2.82Å; G34-M36 VanDerWaalsContact C-N 3.3Å; G34-M36 PolarHBondContact O-N 2.88Å; G34-T37 PolarHBondContact O-N 3.45Å; G34-T37 PolarHBondContact O-OG1 2.79Å
35N90.4Very high92.4Very high69 Ų6958.3 Ų58.337%0.36934%0.336SS..Hα-helixtrans-68.9-24.8177-78.2-70.9000113.9D18 M21 R31 I33D18-N35 WeakPolarHBondContact CB-ND2 3.38Å; D18-N35 PolarHBondContact N-OD1 3.33Å; D18-N35 PolarHBondContact OD1-ND2 3.43Å; D18-N35 VanDerWaalsContact OD1-ND2 3.15Å; M21-N35 WeakPolarHBondContact CE-ND2 3.42Å; R31-N35 PolarHBondContact O-N 3.35Å; R31-N35 PolarHBondContact O-ND2 3.34Å; I33-N35 VanDerWaalsContact C-N 3.31Å; I33-N35 PolarHBondContact O-N 3.09Å
36M88.6Confident92.5Very high143 Ų14361.7 Ų61.770%0.70434%0.34SS*.Hα-helixtrans-82.7-18.7176.3-65.8-176.6-62.500112.4K32 I33 G34K32-M36 WeakPolarHBondContact O-CG 3.28Å; K32-M36 PolarHBondContact O-N 3.16Å; I33-M36 HydrophobicContact CG1-CE 4.43Å; I33-M36 PolarHBondContact O-N 2.91Å; G34-M36 VanDerWaalsContact C-N 3.3Å; G34-M36 PolarHBondContact O-N 2.88Å
37T88Confident92.6Very high22 Ų2264.4 Ų64.414%0.13537%0.371CS..  trans-77.7140.8-179.263.80000112.7I33 G34 P39 I58I33-T37 WeakPolarHBondContact O-CG2 3.36Å; I33-T37 PolarHBondContact O-N 2.8Å; G34-T37 PolarHBondContact O-N 3.45Å; G34-T37 PolarHBondContact O-OG1 2.79Å; T37-P39 VanDerWaalsContact C-CD 3.46Å; T37-P39 WeakPolarHBondContact O-CD 3.49Å; T37-I58 HydrophobicContact CG2-CB 4.43Å; T37-I58 HydrophobicContact CG2-CD1 3.45Å; T37-I58 VanDerWaalsContact CG2-CD1 3.45Å; T37-I58 HydrophobicContact CG2-CG1 3.96Å
38K89.8Confident92.5Very high160 Ų16066.8 Ų66.870%0.69637%0.373SS*.  trans-115.680.3168.2-64.7-173179.6-1740109.1
39P92.1Very high92.6Very high9 Ų962.8 Ų62.86%0.05836%0.359CS..  trans-67153.1-179.226.4-36.7000112.9L11 T37 T54 Q55L11-P39 WeakPolarHBondContact CB-O 3.27Å; L11-P39 PolarHBondContact N-O 3.49Å; T37-P39 VanDerWaalsContact C-CD 3.46Å; T37-P39 WeakPolarHBondContact O-CD 3.49Å; P39-T54 HydrophobicContact CB-CG2 3.65Å; P39-T54 HydrophobicContact CG-CG2 4.28Å; P39-Q55 CarbonylContact C-O 3.57Å; P39-Q55 WeakPolarHBondContact CA-O 3.33Å; P39-Q55 VanDerWaalsContact CB-O 3.31Å; P39-Q55 WeakPolarHBondContact CB-O 3.35Å
40T95.4Very high92.8Very high36 Ų3659.8 Ų59.822%0.22133%0.334CS..EExtended strand (participates in β ladder)trans-97.7128.3165.4-61.60000108.6T8 W9 N10 I42 T54 Q55T8-T40 HydrophobicContact CG2-CG2 3.39Å; W9-T40 CarbonylContact O-C 3.6Å; W9-T40 WeakPolarHBondContact O-CA 3.45Å; N10-T40 WeakPolarHBondContact OD1-CG2 3.34Å; N10-T40 PolarHBondContact OD1-OG1 3.33Å; T40-I42 HydrophobicContact CG2-CG1 4.25Å; T40-T54 WeakPolarHBondContact O-CA 3.36Å; T40-Q55 PolarHBondContact N-O 2.74Å; T40-Q55 PolarHBondContact O-N 3.39Å
41T96.4Very high93.1Very high6 Ų656.5 Ų56.54%0.03731%0.314CS..EExtended strand (participates in β ladder)trans-105.6124.6175.8-65.80000109.4T8 W9 I43 V52 K53T8-T41 CarbonylContact C-O 3.58Å; W9-T41 WeakPolarHBondContact CB-O 3.37Å; W9-T41 PolarHBondContact N-O 2.67Å; W9-T41 PolarHBondContact O-N 2.89Å; T41-I43 HydrophobicContact CG2-CD1 4.37Å; T41-I43 HydrophobicContact CG2-CG1 4.03Å; T41-V52 HydrophobicContact CG2-CG1 4.01Å; T41-K53 CarbonylContact C-O 3.55Å; T41-K53 VanDerWaalsContact CA-O 3.27Å; T41-K53 WeakPolarHBondContact CA-O 3Å
42I97.5Very high93.2Very high44 Ų4455.6 Ų55.623%0.22631%0.312CS..EExtended strand (participates in β ladder)trans-113124.8178.3-54.8166.8000107.4G7 T8 T40 V52 K53G7-I42 WeakPolarHBondContact O-CA 3.47Å; T8-I42 HydrophobicContact CG2-CG1 4.19Å; T40-I42 HydrophobicContact CG2-CG1 4.25Å; I42-V52 CarbonylContact O-C 3.59Å; I42-V52 WeakPolarHBondContact O-CA 3.42Å; I42-K53 HydrophobicContact CB-CB 4.3Å; I42-K53 PolarHBondContact N-O 2.79Å; I42-K53 PolarHBondContact O-N 2.97Å
43I97.1Very high93.3Very high2 Ų253.4 Ų53.41%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-117.3125.5177.8-54.3179.4000107.9F5 V6 G7 T41 V50 T51 V52 L116F5-I43 HydrophobicContact CB-CD1 4.07Å; F5-I43 HydrophobicContact CB-CG2 4.25Å; F5-I43 WeakPolarHBondContact O-CB 3.43Å; V6-I43 WeakPolarHBondContact CA-O 3.49Å; G7-I43 PolarHBondContact N-O 2.81Å; G7-I43 PolarHBondContact O-N 2.94Å; T41-I43 HydrophobicContact CG2-CD1 4.37Å; T41-I43 HydrophobicContact CG2-CG1 4.03Å; I43-V50 HydrophobicContact CG2-CG1 4.26Å; I43-T51 WeakPolarHBondContact CA-O 3.42Å; I43-V52 HydrophobicContact CG1-CG1 4.45Å; I43-V52 HydrophobicContact CG1-CG2 4.27Å; I43-V52 HydrophobicContact CG2-CG2 4.47Å; I43-L116 HydrophobicContact CD1-CD1 4.27Å
44S96.8Very high93.5Very high47 Ų4751.8 Ų51.833%0.32930%0.296SS..EExtended strand (participates in β ladder)trans-132.5156177.358.50000111V50 T51S44-V50 WeakPolarHBondContact O-CA 3.49Å; S44-T51 PolarHBondContact N-O 2.71Å; S44-T51 PolarHBondContact O-N 3.08Å
45V95.6Very high93.7Very high56 Ų5655.4 Ų55.434%0.33931%0.309SS..EExtended strand (participates in β ladder)trans-126.5131.1175.4177.90000108.2V2 V6 T49 V50V2-V45 HydrophobicContact CB-CG2 4.44Å; V2-V45 HydrophobicContact CG1-CG2 3.63Å; V6-V45 HydrophobicContact CG2-CB 4.34Å; V6-V45 HydrophobicContact CG2-CG2 3.7Å; V45-T49 WeakPolarHBondContact CA-O 3.35Å; V45-V50 HydrophobicContact CG2-CG1 4.5Å; V45-V50 HydrophobicContact CG2-CG2 4.29Å
46D94.5Very high93.6Very high135 Ų13553.4 Ų53.472%0.72230%0.301SS*.EExtended strand (participates in β ladder)trans-128.9108171.2-17725.2000108.7D48 T49D46-D48 PolarHBondContact O-N 3.01Å; D46-D48 VanDerWaalsContact O-N 3.15Å; D46-T49 PolarHBondContact N-O 3.03Å; D46-T49 WeakPolarHBondContact O-CB 3.33Å; D46-T49 PolarHBondContact O-N 2.71Å
47G92.1Very high93.2Very high72 Ų7252.4 Ų52.474%0.74231%0.307SS*.THydrogen-bonded Turntrans58.7-115.6-170.600000112.2
48D91.3Very high92.8Very high94 Ų9456.3 Ų56.350%0.50333%0.327SS..THydrogen-bonded Turntrans-95.6-1.4177.665-2.1000113.6D46 K66D46-D48 PolarHBondContact O-N 3.01Å; D46-D48 VanDerWaalsContact O-N 3.15Å; D48-K66 VanDerWaalsContact CG-CE 3.47Å; D48-K66 WeakPolarHBondContact OD1-CE 3.17Å; D48-K66 IonicContact OD1-NZ 3.66Å; D48-K66 WeakPolarHBondContact OD2-CD 3.39Å; D48-K66 WeakPolarHBondContact OD2-CE 3.3Å; D48-K66 IonicContact OD2-NZ 2.68Å; D48-K66 PolarHBondContact OD2-NZ 3.34Å
49T94.4Very high92.2Very high43 Ų4352.7 Ų52.726%0.26431%0.311SS..EExtended strand (participates in β ladder)trans-99.8125.2-174.2-61.30000110.5V45 D46V45-T49 WeakPolarHBondContact CA-O 3.35Å; D46-T49 PolarHBondContact N-O 3.03Å; D46-T49 WeakPolarHBondContact O-CB 3.33Å; D46-T49 PolarHBondContact O-N 2.71Å
50V95.8Very high92Very high3 Ų357.2 Ų57.22%0.01833%0.334CS..EExtended strand (participates in β ladder)trans-101.8129.7174.9-173.20000108.4V2 I43 S44 V45 S64 F65 V67V2-V50 HydrophobicContact CG1-CG1 3.97Å; V2-V50 HydrophobicContact CG1-CG2 3.8Å; V2-V50 HydrophobicContact CG2-CG2 4.43Å; I43-V50 HydrophobicContact CG2-CG1 4.26Å; S44-V50 WeakPolarHBondContact O-CA 3.49Å; V45-V50 HydrophobicContact CG2-CG1 4.5Å; V45-V50 HydrophobicContact CG2-CG2 4.29Å; V50-S64 CarbonylContact O-C 3.53Å; V50-S64 VanDerWaalsContact O-CA 3.28Å; V50-S64 WeakPolarHBondContact O-CA 3.28Å; V50-F65 HydrophobicContact CB-CD2 4.09Å; V50-F65 HydrophobicContact CB-CE1 4.36Å; V50-F65 HydrophobicContact CB-CE2 3.6Å; V50-F65 HydrophobicContact CB-CZ 3.76Å; V50-F65 HydrophobicContact CG1-CE1 4.28Å; V50-F65 HydrophobicContact CG1-CE2 3.9Å; V50-F65 HydrophobicContact CG1-CZ 3.6Å; V50-F65 HydrophobicContact CG2-CE2 4.04Å; V50-F65 PolarHBondContact N-O 2.74Å; V50-F65 PolarHBondContact O-N 2.97Å; V50-V67 HydrophobicContact CG2-CG2 3.95Å
51T95.9Very high91.7Very high18 Ų1857.5 Ų57.511%0.1134%0.336CS..EExtended strand (participates in β ladder)trans-115.2129.4174.2-56.30000110.3I43 S44 K53 E62 L63 S64I43-T51 WeakPolarHBondContact CA-O 3.42Å; S44-T51 PolarHBondContact N-O 2.71Å; S44-T51 PolarHBondContact O-N 3.08Å; T51-K53 HydrophobicContact CG2-CG 3.96Å; T51-E62 HydrophobicContact CG2-CG 3.89Å; T51-L63 CarbonylContact C-O 3.6Å; T51-L63 VanDerWaalsContact CA-O 3.29Å; T51-L63 WeakPolarHBondContact CA-O 3.44Å; T51-S64 PolarHBondContact OG1-OG 2.81Å
52V95.9Very high91.5Very high10 Ų1062.7 Ų62.76%0.06136%0.36CS..EExtended strand (participates in β ladder)trans-115.5112.8172.7-178.50000108.4T41 I42 I43 L63 F65T41-V52 HydrophobicContact CG2-CG1 4.01Å; I42-V52 CarbonylContact O-C 3.59Å; I42-V52 WeakPolarHBondContact O-CA 3.42Å; I43-V52 HydrophobicContact CG1-CG1 4.45Å; I43-V52 HydrophobicContact CG1-CG2 4.27Å; I43-V52 HydrophobicContact CG2-CG2 4.47Å; V52-L63 PolarHBondContact N-O 3.13Å; V52-L63 PolarHBondContact O-N 2.8Å; V52-F65 HydrophobicContact CG2-CE1 3.82Å; V52-F65 HydrophobicContact CG2-CZ 4.14Å
53K95.1Very high91.2Very high66 Ų6662.1 Ų62.129%0.28736%0.357SS..EExtended strand (participates in β ladder)trans-103133.8172.5-49.2-167.1-173.5-145.50109.4T41 I42 T51 T61 E62T41-K53 CarbonylContact C-O 3.55Å; T41-K53 VanDerWaalsContact CA-O 3.27Å; T41-K53 WeakPolarHBondContact CA-O 3Å; I42-K53 HydrophobicContact CB-CB 4.3Å; I42-K53 PolarHBondContact N-O 2.79Å; I42-K53 PolarHBondContact O-N 2.97Å; T51-K53 HydrophobicContact CG2-CG 3.96Å; K53-T61 CarbonylContact C-O 3.58Å; K53-T61 WeakPolarHBondContact CA-O 3.49Å; K53-E62 HydrophobicContact CD-CG 4.35Å; K53-E62 WeakPolarHBondContact CD-OE2 3.49Å; K53-E62 WeakPolarHBondContact CE-OE1 3.44Å; K53-E62 WeakPolarHBondContact CE-OE2 3.35Å; K53-E62 HydrophobicContact CG-CB 4.31Å; K53-E62 HydrophobicContact CG-CG 4Å; K53-E62 IonicContact NZ-OE1 3.27Å; K53-E62 PolarHBondContact NZ-OE1 2.66Å; K53-E62 IonicContact NZ-OE2 2.74Å; K53-E62 PolarHBondContact NZ-OE2 2.96Å
54T92.8Very high91Very high39 Ų3964.9 Ų64.924%0.23938%0.377CS..EExtended strand (participates in β ladder)trans-117.4115.4170.8-54.70000108.1P39 T40 N60 T61P39-T54 HydrophobicContact CB-CG2 3.65Å; P39-T54 HydrophobicContact CG-CG2 4.28Å; T40-T54 WeakPolarHBondContact O-CA 3.36Å; T54-N60 CarbonylContact O-C 3.51Å; T54-N60 VanDerWaalsContact O-CA 3.3Å; T54-N60 WeakPolarHBondContact O-CA 3.49Å; T54-T61 WeakPolarHBondContact CB-OG1 3.48Å; T54-T61 PolarHBondContact N-O 2.97Å; T54-T61 PolarHBondContact O-N 2.87Å
55Q92.4Very high90.8Very high89 Ų8963.2 Ų63.242%0.41636%0.364SS..EExtended strand (participates in β ladder)trans-109.4134.6-178.1-66.6-178.1-40.300110.7P39 T40 N60P39-Q55 CarbonylContact C-O 3.57Å; P39-Q55 WeakPolarHBondContact CA-O 3.33Å; P39-Q55 VanDerWaalsContact CB-O 3.31Å; P39-Q55 WeakPolarHBondContact CB-O 3.35Å; T40-Q55 PolarHBondContact N-O 2.74Å; T40-Q55 PolarHBondContact O-N 3.39Å; Q55-N60 WeakPolarHBondContact CA-OD1 3.45Å
56S87.6Confident90.7Very high28 Ų2863.9 Ų63.920%0.19636%0.362CS..  trans-146.3170.8172.871.10000110I58 K59 N60S56-I58 PolarHBondContact O-N 2.88Å; S56-I58 VanDerWaalsContact O-N 3.08Å; S56-I58 PolarHBondContact OG-N 2.92Å; S56-K59 PolarHBondContact N-O 2.81Å; S56-K59 PolarHBondContact OG-N 2.82Å; S56-K59 PolarHBondContact OG-O 2.88Å; S56-N60 PolarHBondContact N-OD1 3.22Å; S56-N60 PolarHBondContact O-OD1 2.85Å; S56-N60 VanDerWaalsContact O-OD1 3.11Å
57S80.8Confident90.7Very high121 Ų12160.1 Ų60.185%0.84634%0.344SS*.SBendtrans-65.6-7.2173.852.20000114.1
58I78.4Confident90.7Very high105 Ų10559 Ų5954%0.53833%0.333SS..SBendtrans-119.4-53.3-168.6-53.9-171.5000111.6I33 T37 S56I33-I58 HydrophobicContact CG2-CD1 3.14Å; I33-I58 HydrophobicContact CG2-CG1 4.42Å; I33-I58 HydrophobicContact CG2-CG2 4.07Å; T37-I58 HydrophobicContact CG2-CB 4.43Å; T37-I58 HydrophobicContact CG2-CD1 3.45Å; T37-I58 VanDerWaalsContact CG2-CD1 3.45Å; T37-I58 HydrophobicContact CG2-CG1 3.96Å; S56-I58 PolarHBondContact O-N 2.88Å; S56-I58 VanDerWaalsContact O-N 3.08Å; S56-I58 PolarHBondContact OG-N 2.92Å
59K78.1Confident90.8Very high83 Ų8359.8 Ų59.836%0.36133%0.333SS..  trans-139135.2179.9-164.6169.7-175.5177.90109.8S56 T61 A76 D78S56-K59 PolarHBondContact N-O 2.81Å; S56-K59 PolarHBondContact OG-N 2.82Å; S56-K59 PolarHBondContact OG-O 2.88Å; K59-T61 HydrophobicContact CG-CG2 4.4Å; K59-A76 WeakPolarHBondContact CE-O 3.33Å; K59-A76 PolarHBondContact NZ-O 2.8Å; K59-D78 IonicContact NZ-OD1 3.66Å; K59-D78 PolarHBondContact NZ-OD1 2.81Å; K59-D78 IonicContact NZ-OD2 3.68Å; K59-D78 PolarHBondContact NZ-OD2 2.84Å
60N88.1Confident90.7Very high104 Ų10464 Ų6456%0.55635%0.35SS*.  trans-109.6135.9171.9-63.2-28.2000108.2T54 Q55 S56T54-N60 CarbonylContact O-C 3.51Å; T54-N60 VanDerWaalsContact O-CA 3.3Å; T54-N60 WeakPolarHBondContact O-CA 3.49Å; Q55-N60 WeakPolarHBondContact CA-OD1 3.45Å; S56-N60 PolarHBondContact N-OD1 3.22Å; S56-N60 PolarHBondContact O-OD1 2.85Å; S56-N60 VanDerWaalsContact O-OD1 3.11Å
61T88.5Confident90.2Very high42 Ų4265.3 Ų65.326%0.25836%0.355SS..EExtended strand (participates in β ladder)trans-131.3150.1176.955.60000109.3K53 T54 K59 A76K53-T61 CarbonylContact C-O 3.58Å; K53-T61 WeakPolarHBondContact CA-O 3.49Å; T54-T61 WeakPolarHBondContact CB-OG1 3.48Å; T54-T61 PolarHBondContact N-O 2.97Å; T54-T61 PolarHBondContact O-N 2.87Å; K59-T61 HydrophobicContact CG-CG2 4.4Å; T61-A76 HydrophobicContact CG2-CB 3.9Å
62E91.8Very high89.7Confident116 Ų11668.5 Ų68.554%0.54237%0.372SS..EExtended strand (participates in β ladder)trans-139.4132.9177.8175.4163.1167.900108T51 K53T51-E62 HydrophobicContact CG2-CG 3.89Å; K53-E62 HydrophobicContact CD-CG 4.35Å; K53-E62 WeakPolarHBondContact CD-OE2 3.49Å; K53-E62 WeakPolarHBondContact CE-OE1 3.44Å; K53-E62 WeakPolarHBondContact CE-OE2 3.35Å; K53-E62 HydrophobicContact CG-CB 4.31Å; K53-E62 HydrophobicContact CG-CG 4Å; K53-E62 IonicContact NZ-OE1 3.27Å; K53-E62 PolarHBondContact NZ-OE1 2.66Å; K53-E62 IonicContact NZ-OE2 2.74Å; K53-E62 PolarHBondContact NZ-OE2 2.96Å
63L91.2Very high88.9Confident32 Ų3268.9 Ų68.917%0.16837%0.373CS..EExtended strand (participates in β ladder)trans-132.9128.7178.5177.269.2000108.9T51 V52 F65 F71 E73T51-L63 CarbonylContact C-O 3.6Å; T51-L63 VanDerWaalsContact CA-O 3.29Å; T51-L63 WeakPolarHBondContact CA-O 3.44Å; V52-L63 PolarHBondContact N-O 3.13Å; V52-L63 PolarHBondContact O-N 2.8Å; L63-F65 HydrophobicContact CD2-CD1 3.86Å; L63-F65 HydrophobicContact CD2-CE1 4.1Å; L63-F65 HydrophobicContact CG-CD1 3.92Å; L63-F65 HydrophobicContact CG-CE1 4.44Å; L63-F71 HydrophobicContact CD1-CD2 4.02Å; L63-F71 HydrophobicContact CD1-CE2 3.42Å; L63-F71 VanDerWaalsContact CD1-CE2 3.42Å; L63-F71 HydrophobicContact CD1-CZ 4.3Å; L63-F71 HydrophobicContact CD2-CE2 3.94Å; L63-F71 HydrophobicContact CD2-CZ 4.04Å; L63-F71 HydrophobicContact CG-CE2 4.1Å; L63-E73 HydrophobicContact CD1-CB 4.39Å; L63-E73 HydrophobicContact CD1-CG 4.01Å
64S93.1Very high88.3Confident60 Ų6070.1 Ų70.142%0.4239%0.386SS..EExtended strand (participates in β ladder)trans-120.1133.6173.8-63.60000110.1V50 T51V50-S64 CarbonylContact O-C 3.53Å; V50-S64 VanDerWaalsContact O-CA 3.28Å; V50-S64 WeakPolarHBondContact O-CA 3.28Å; T51-S64 PolarHBondContact OG1-OG 2.81Å
65F93.3Very high87.6Confident11 Ų1168.6 Ų68.65%0.04838%0.377CS..EExtended strand (participates in β ladder)trans-151.6162.4-177.157-91.4000111.5V50 V52 L63 V67 F71 V87V50-F65 HydrophobicContact CB-CD2 4.09Å; V50-F65 HydrophobicContact CB-CE1 4.36Å; V50-F65 HydrophobicContact CB-CE2 3.6Å; V50-F65 HydrophobicContact CB-CZ 3.76Å; V50-F65 HydrophobicContact CG1-CE1 4.28Å; V50-F65 HydrophobicContact CG1-CE2 3.9Å; V50-F65 HydrophobicContact CG1-CZ 3.6Å; V50-F65 HydrophobicContact CG2-CE2 4.04Å; V50-F65 PolarHBondContact N-O 2.74Å; V50-F65 PolarHBondContact O-N 2.97Å; V52-F65 HydrophobicContact CG2-CE1 3.82Å; V52-F65 HydrophobicContact CG2-CZ 4.14Å; L63-F65 HydrophobicContact CD2-CD1 3.86Å; L63-F65 HydrophobicContact CD2-CE1 4.1Å; L63-F65 HydrophobicContact CG-CD1 3.92Å; L63-F65 HydrophobicContact CG-CE1 4.44Å; F65-V67 HydrophobicContact CE2-CG2 4.48Å; F65-F71 HydrophobicContact CB-CD1 3.61Å; F65-F71 HydrophobicContact CB-CD2 4.48Å; F65-F71 HydrophobicContact CB-CE1 3.39Å; F65-F71 HydrophobicContact CB-CE2 4.31Å; F65-F71 HydrophobicContact CB-CG 4.17Å; F65-F71 HydrophobicContact CB-CZ 3.77Å; F65-F71 HydrophobicContact CD1-CZ 4.23Å; F65-F71 AromaticContact CG-CE1 3.95Å; F65-F71 HydrophobicContact CG-CE1 3.95Å; F65-F71 HydrophobicContact CG-CZ 4.12Å; F65-V87 HydrophobicContact CD1-CG2 4.23Å; F65-V87 HydrophobicContact CD2-CB 3.62Å; F65-V87 HydrophobicContact CD2-CG1 4.09Å; F65-V87 HydrophobicContact CD2-CG2 3.7Å; F65-V87 HydrophobicContact CE1-CG2 4.16Å; F65-V87 HydrophobicContact CE2-CB 3.47Å; F65-V87 VanDerWaalsContact CE2-CB 3.47Å; F65-V87 HydrophobicContact CE2-CG1 3.39Å; F65-V87 HydrophobicContact CE2-CG2 3.63Å; F65-V87 HydrophobicContact CG-CB 4.41Å; F65-V87 HydrophobicContact CG-CG2 4.02Å; F65-V87 HydrophobicContact CZ-CB 4.14Å; F65-V87 HydrophobicContact CZ-CG1 3.87Å; F65-V87 HydrophobicContact CZ-CG2 3.87Å
66K94.1Very high86.8Confident71 Ų7167.1 Ų67.131%0.30938%0.38SS..EExtended strand (participates in β ladder)trans-102.1139.9166.8-62.7-172-178.4-166.40109.5D48 G68 E69D48-K66 VanDerWaalsContact CG-CE 3.47Å; D48-K66 WeakPolarHBondContact OD1-CE 3.17Å; D48-K66 IonicContact OD1-NZ 3.66Å; D48-K66 WeakPolarHBondContact OD2-CD 3.39Å; D48-K66 WeakPolarHBondContact OD2-CE 3.3Å; D48-K66 IonicContact OD2-NZ 2.68Å; D48-K66 PolarHBondContact OD2-NZ 3.34Å; K66-G68 PolarHBondContact O-N 2.95Å; K66-E69 HydrophobicContact CB-CB 4.17Å; K66-E69 HydrophobicContact CB-CG 4.11Å; K66-E69 WeakPolarHBondContact CD-OE1 3.37Å; K66-E69 PolarHBondContact O-N 2.81Å
67V93.9Very high86.3Confident55 Ų5567.9 Ų67.933%0.33338%0.382SS..THydrogen-bonded Turntrans-68129.5178.9179.50000109.4V2 V50 F65 E69 V87 V89V2-V67 HydrophobicContact CG2-CG2 3.71Å; V50-V67 HydrophobicContact CG2-CG2 3.95Å; F65-V67 HydrophobicContact CE2-CG2 4.48Å; V67-E69 VanDerWaalsContact C-N 3.35Å; V67-V87 CarbonylContact C-O 3.57Å; V67-V87 WeakPolarHBondContact CA-O 3.49Å; V67-V89 HydrophobicContact CG1-CG2 4.16Å
68G93.3Very high86.2Confident50 Ų5067.5 Ų67.552%0.51537%0.37SS..THydrogen-bonded Turntrans85.90.1-179.600000114.9K66 V87K66-G68 PolarHBondContact O-N 2.95Å; G68-V87 PolarHBondContact N-O 3.41Å
69E92.6Very high86.1Confident109 Ų10964 Ų6451%0.50935%0.35SS..  trans-111.1137.9177.1-62.2-175.6-160.200111K66 V67K66-E69 HydrophobicContact CB-CB 4.17Å; K66-E69 HydrophobicContact CB-CG 4.11Å; K66-E69 WeakPolarHBondContact CD-OE1 3.37Å; K66-E69 PolarHBondContact O-N 2.81Å; V67-E69 VanDerWaalsContact C-N 3.35Å
70E91.2Very high86Confident132 Ų13267.4 Ų67.462%0.61737%0.365SS*.EExtended strand (participates in β ladder)trans-75.5144.4174.6-67.5-173.7137.400111.1S85 L86E70-S85 VanDerWaalsContact CA-O 3.29Å; E70-S85 WeakPolarHBondContact CA-O 3.15Å; E70-L86 HydrophobicContact CG-CB 4.46Å; E70-L86 HydrophobicContact CG-CD1 4.33Å
71F86.5Confident85.2Confident30 Ų3062.5 Ų62.513%0.13234%0.339CS..EExtended strand (participates in β ladder)trans-143.5161.7178.259.3-83.6000112.9L63 F65 E73 S85 V87 H96L63-F71 HydrophobicContact CD1-CD2 4.02Å; L63-F71 HydrophobicContact CD1-CE2 3.42Å; L63-F71 VanDerWaalsContact CD1-CE2 3.42Å; L63-F71 HydrophobicContact CD1-CZ 4.3Å; L63-F71 HydrophobicContact CD2-CE2 3.94Å; L63-F71 HydrophobicContact CD2-CZ 4.04Å; L63-F71 HydrophobicContact CG-CE2 4.1Å; F65-F71 HydrophobicContact CB-CD1 3.61Å; F65-F71 HydrophobicContact CB-CD2 4.48Å; F65-F71 HydrophobicContact CB-CE1 3.39Å; F65-F71 HydrophobicContact CB-CE2 4.31Å; F65-F71 HydrophobicContact CB-CG 4.17Å; F65-F71 HydrophobicContact CB-CZ 3.77Å; F65-F71 HydrophobicContact CD1-CZ 4.23Å; F65-F71 AromaticContact CG-CE1 3.95Å; F65-F71 HydrophobicContact CG-CE1 3.95Å; F65-F71 HydrophobicContact CG-CZ 4.12Å; F71-E73 HydrophobicContact CD2-CB 4.17Å; F71-E73 HydrophobicContact CE2-CB 3.87Å; F71-E73 HydrophobicContact CE2-CG 4.43Å; F71-S85 WeakPolarHBondContact CD1-O 3.44Å; F71-S85 PolarHBondContact N-O 2.84Å; F71-S85 PolarHBondContact O-N 3.11Å; F71-V87 HydrophobicContact CE1-CG2 3.96Å; F71-V87 HydrophobicContact CZ-CG2 4.05Å; F71-H96 AromaticContact CZ-NE2 3.81Å
72D84.8Confident83.9Confident85 Ų8566.8 Ų66.846%0.45535%0.354SS..EExtended strand (participates in β ladder)trans-79.2128.2169.2-82.10.4000109.6V81 K82D72-V81 WeakPolarHBondContact CA-O 3.27Å; D72-K82 HydrophobicContact CB-CG 4.29Å; D72-K82 WeakPolarHBondContact OD1-CA 3.4Å; D72-K82 WeakPolarHBondContact OD1-CB 3.35Å; D72-K82 WeakPolarHBondContact OD1-CG 3.36Å; D72-K82 WeakPolarHBondContact OD2-CE 3.29Å; D72-K82 IonicContact OD2-NZ 2.72Å; D72-K82 PolarHBondContact OD2-NZ 2.95Å
73E80.1Confident82.1Confident18 Ų1865 Ų658%0.08435%0.352CS..EExtended strand (participates in β ladder)trans-124.5141.2179177.9176.2-165.200111.2L63 F71 T75 V81 S85 H96 Q98L63-E73 HydrophobicContact CD1-CB 4.39Å; L63-E73 HydrophobicContact CD1-CG 4.01Å; F71-E73 HydrophobicContact CD2-CB 4.17Å; F71-E73 HydrophobicContact CE2-CB 3.87Å; F71-E73 HydrophobicContact CE2-CG 4.43Å; E73-T75 HydrophobicContact CG-CG2 3.97Å; E73-V81 HydrophobicContact CB-CB 4.2Å; E73-V81 PolarHBondContact N-O 3.07Å; E73-V81 PolarHBondContact O-N 3.24Å; E73-S85 WeakPolarHBondContact CB-OG 3.47Å; E73-S85 WeakPolarHBondContact OE2-CB 3.39Å; E73-S85 PolarHBondContact OE2-OG 2.89Å; E73-H96 IonicContact OE1-CE1 3.43Å; E73-H96 PolarHBondContact OE1-CE1 3.11Å; E73-H96 IonicContact OE2-CE1 3.16Å; E73-H96 PolarHBondContact OE2-CE1 2.79Å; E73-H96 IonicContact OE2-NE2 3.09Å; E73-H96 PolarHBondContact OE2-NE2 2.73Å; E73-H96 VanDerWaalsContact OE2-NE2 3.09Å; E73-Q98 PolarHBondContact OE1-NE2 3.47Å; E73-Q98 PolarHBondContact OE2-NE2 2.97Å
74T82.1Confident81.3Confident92 Ų9268.3 Ų68.356%0.56437%0.365SS*.EExtended strand (participates in β ladder)trans-111.4112.7160.9-58.30000108.1R79T74-R79 WeakPolarHBondContact CA-O 3.4Å
75T77.7Confident81.1Confident7 Ų765.4 Ų65.44%0.04335%0.345CS..  trans-77.9167-173.160.90000111.6E73 D77 D78 R79 V81E73-T75 HydrophobicContact CG-CG2 3.97Å; T75-D77 WeakPolarHBondContact CB-OD1 3.49Å; T75-D77 PolarHBondContact O-N 2.81Å; T75-D77 VanDerWaalsContact O-N 3.11Å; T75-D77 PolarHBondContact OG1-OD1 2.78Å; T75-D78 WeakPolarHBondContact O-CA 3.42Å; T75-D78 PolarHBondContact O-N 2.99Å; T75-R79 PolarHBondContact N-O 2.78Å; T75-R79 WeakPolarHBondContact OG1-CB 3.49Å; T75-R79 PolarHBondContact OG1-N 2.84Å; T75-R79 PolarHBondContact OG1-O 3.25Å; T75-V81 HydrophobicContact CG2-CG2 3.95Å
76A76.1Confident81.1Confident58 Ų5867.4 Ų67.448%0.47936%0.356SS..THydrogen-bonded Turntrans-59.5-25-179.600000113.8K59 T61 D78K59-A76 WeakPolarHBondContact CE-O 3.33Å; K59-A76 PolarHBondContact NZ-O 2.8Å; T61-A76 HydrophobicContact CG2-CB 3.9Å; A76-D78 VanDerWaalsContact C-N 3.31Å
77D77.1Confident81.1Confident45 Ų4564 Ų6424%0.24134%0.341CS..THydrogen-bonded Turntrans-91.619.1173.762-37.8000113.9V26 T75 R79V26-D77 HydrophobicContact CG2-CB 3.8Å; T75-D77 WeakPolarHBondContact CB-OD1 3.49Å; T75-D77 PolarHBondContact O-N 2.81Å; T75-D77 VanDerWaalsContact O-N 3.11Å; T75-D77 PolarHBondContact OG1-OD1 2.78Å; D77-R79 VanDerWaalsContact CG-NE 3.35Å; D77-R79 PolarHBondContact O-N 2.96Å; D77-R79 IonicContact OD1-CZ 2.66Å; D77-R79 IonicContact OD1-NE 3.63Å; D77-R79 PolarHBondContact OD1-NE 2.66Å; D77-R79 IonicContact OD1-NH2 2.72Å; D77-R79 PolarHBondContact OD1-NH2 3.45Å; D77-R79 WeakPolarHBondContact OD2-CD 3.24Å; D77-R79 IonicContact OD2-CZ 3.32Å; D77-R79 IonicContact OD2-NE 3.45Å; D77-R79 PolarHBondContact OD2-NE 2.72Å; D77-R79 IonicContact OD2-NH2 2.66Å
78D78.4Confident81.2Confident112 Ų11262.9 Ų62.960%0.59933%0.334SS*.  trans63.219.1174.4-59.1-46.6000115K59 T75 A76K59-D78 IonicContact NZ-OD1 3.66Å; K59-D78 PolarHBondContact NZ-OD1 2.81Å; K59-D78 IonicContact NZ-OD2 3.68Å; K59-D78 PolarHBondContact NZ-OD2 2.84Å; T75-D78 WeakPolarHBondContact O-CA 3.42Å; T75-D78 PolarHBondContact O-N 2.99Å; A76-D78 VanDerWaalsContact C-N 3.31Å
79R76Confident81.3Confident31 Ų3163 Ų6312%0.11733%0.325CS..  trans-74129.7169.1-61.7-179.8-72.3114.510.5109.4T74 T75 D77 Q98T74-R79 WeakPolarHBondContact CA-O 3.4Å; T75-R79 PolarHBondContact N-O 2.78Å; T75-R79 WeakPolarHBondContact OG1-CB 3.49Å; T75-R79 PolarHBondContact OG1-N 2.84Å; T75-R79 PolarHBondContact OG1-O 3.25Å; D77-R79 VanDerWaalsContact CG-NE 3.35Å; D77-R79 PolarHBondContact O-N 2.96Å; D77-R79 IonicContact OD1-CZ 2.66Å; D77-R79 IonicContact OD1-NE 3.63Å; D77-R79 PolarHBondContact OD1-NE 2.66Å; D77-R79 IonicContact OD1-NH2 2.72Å; D77-R79 PolarHBondContact OD1-NH2 3.45Å; D77-R79 WeakPolarHBondContact OD2-CD 3.24Å; D77-R79 IonicContact OD2-CZ 3.32Å; D77-R79 IonicContact OD2-NE 3.45Å; D77-R79 PolarHBondContact OD2-NE 2.72Å; D77-R79 IonicContact OD2-NH2 2.66Å; R79-Q98 VanDerWaalsContact NH2-OE1 3.11Å
80K75.9Confident81.3Confident156 Ų15662.8 Ų62.868%0.67832%0.324SS*.EExtended strand (participates in β ladder)trans-87.4108.8169.8-66.3-177.7-178.7178.80108.7
81V71.9Confident81.4Confident0 Ų064.5 Ų64.50%034%0.337CS..EExtended strand (participates in β ladder)trans-96.3106.8174-174.50000106.8D72 E73 T75 S85 Q98 K99D72-V81 WeakPolarHBondContact CA-O 3.27Å; E73-V81 HydrophobicContact CB-CB 4.2Å; E73-V81 PolarHBondContact N-O 3.07Å; E73-V81 PolarHBondContact O-N 3.24Å; T75-V81 HydrophobicContact CG2-CG2 3.95Å; V81-S85 VanDerWaalsContact CG1-OG 3.28Å; V81-S85 WeakPolarHBondContact CG1-OG 3.41Å; V81-Q98 HydrophobicContact CG1-CB 4.42Å; V81-Q98 HydrophobicContact CG2-CB 4.38Å; V81-K99 WeakPolarHBondContact CG1-O 3.47Å
82K60.1Low81.7Confident133 Ų13365.4 Ų65.458%0.57836%0.355SS*.EExtended strand (participates in β ladder)trans-135.3135.5177-61.9-171169.5-111.70109.8D72D72-K82 HydrophobicContact CB-CG 4.29Å; D72-K82 WeakPolarHBondContact OD1-CA 3.4Å; D72-K82 WeakPolarHBondContact OD1-CB 3.35Å; D72-K82 WeakPolarHBondContact OD1-CG 3.36Å; D72-K82 WeakPolarHBondContact OD2-CE 3.29Å; D72-K82 IonicContact OD2-NZ 2.72Å; D72-K82 PolarHBondContact OD2-NZ 2.95Å
83P54.7Low82.2Confident78 Ų7864.7 Ų64.751%0.50635%0.348SS..EExtended strand (participates in β ladder)cis-100.480.3-29.333.6-21.9000108.4
84K75.3Confident83Confident101 Ų10163.9 Ų63.944%0.43934%0.344SS..EExtended strand (participates in β ladder)trans-146.919.5-167.3-54.4-174.9-179.3-179.80114.9K99K84-K99 HydrophobicContact CB-CB 3.74Å; K84-K99 HydrophobicContact CB-CG 4.25Å; K84-K99 WeakPolarHBondContact CB-O 3.38Å; K84-K99 HydrophobicContact CD-CB 3.79Å; K84-K99 HydrophobicContact CG-CB 4.41Å; K84-K99 PolarHBondContact O-N 3.11Å
85S87.9Confident83.7Confident0 Ų060.3 Ų60.30%032%0.322CS..EExtended strand (participates in β ladder)trans-85.7128.5164.3-72.30000108.4E70 F71 E73 V81 V97E70-S85 VanDerWaalsContact CA-O 3.29Å; E70-S85 WeakPolarHBondContact CA-O 3.15Å; F71-S85 WeakPolarHBondContact CD1-O 3.44Å; F71-S85 PolarHBondContact N-O 2.84Å; F71-S85 PolarHBondContact O-N 3.11Å; E73-S85 WeakPolarHBondContact CB-OG 3.47Å; E73-S85 WeakPolarHBondContact OE2-CB 3.39Å; E73-S85 PolarHBondContact OE2-OG 2.89Å; V81-S85 VanDerWaalsContact CG1-OG 3.28Å; V81-S85 WeakPolarHBondContact CG1-OG 3.41Å; S85-V97 WeakPolarHBondContact CA-O 3.32Å
86L93.4Very high84.6Confident52 Ų5260.2 Ų60.227%0.27232%0.321SS..EExtended strand (participates in β ladder)trans-135.8133.3178.8177.565.1000108.8E70 T88 H96 V97E70-L86 HydrophobicContact CG-CB 4.46Å; E70-L86 HydrophobicContact CG-CD1 4.33Å; L86-T88 HydrophobicContact CD1-CG2 4.45Å; L86-T88 HydrophobicContact CD2-CG2 4.07Å; L86-T88 HydrophobicContact CG-CG2 4.05Å; L86-H96 WeakPolarHBondContact O-CA 3.42Å; L86-V97 PolarHBondContact N-O 3.36Å; L86-V97 PolarHBondContact O-N 3.31Å
87V95.3Very high85.5Confident1 Ų158.9 Ų58.91%0.00631%0.307CS..EExtended strand (participates in β ladder)trans-116.5122.8173.2-174.50000110F65 V67 G68 F71 L94 V95 H96F65-V87 HydrophobicContact CD1-CG2 4.23Å; F65-V87 HydrophobicContact CD2-CB 3.62Å; F65-V87 HydrophobicContact CD2-CG1 4.09Å; F65-V87 HydrophobicContact CD2-CG2 3.7Å; F65-V87 HydrophobicContact CE1-CG2 4.16Å; F65-V87 HydrophobicContact CE2-CB 3.47Å; F65-V87 VanDerWaalsContact CE2-CB 3.47Å; F65-V87 HydrophobicContact CE2-CG1 3.39Å; F65-V87 HydrophobicContact CE2-CG2 3.63Å; F65-V87 HydrophobicContact CG-CB 4.41Å; F65-V87 HydrophobicContact CG-CG2 4.02Å; F65-V87 HydrophobicContact CZ-CB 4.14Å; F65-V87 HydrophobicContact CZ-CG1 3.87Å; F65-V87 HydrophobicContact CZ-CG2 3.87Å; V67-V87 CarbonylContact C-O 3.57Å; V67-V87 WeakPolarHBondContact CA-O 3.49Å; G68-V87 PolarHBondContact N-O 3.41Å; F71-V87 HydrophobicContact CE1-CG2 3.96Å; F71-V87 HydrophobicContact CZ-CG2 4.05Å; V87-L94 HydrophobicContact CG1-CD1 3.49Å; V87-L94 VanDerWaalsContact CG1-CD1 3.49Å; V87-L94 HydrophobicContact CG1-CD2 4.44Å; V87-L94 HydrophobicContact CG1-CG 3.79Å; V87-V95 CarbonylContact C-O 3.59Å; V87-V95 VanDerWaalsContact CA-O 3.26Å; V87-V95 WeakPolarHBondContact CA-O 3.34Å; V87-H96 HydrophobicContact CG2-CB 3.84Å
88T95.4Very high86.3Confident30 Ų3057 Ų5718%0.18430%0.297CS..EExtended strand (participates in β ladder)trans-120.7164177.156.80000110.9L86 E90 V95L86-T88 HydrophobicContact CD1-CG2 4.45Å; L86-T88 HydrophobicContact CD2-CG2 4.07Å; L86-T88 HydrophobicContact CG-CG2 4.05Å; T88-E90 PolarHBondContact OG1-OE1 3.24Å; T88-V95 PolarHBondContact N-O 3.22Å; T88-V95 PolarHBondContact O-N 3.04Å
89V94.5Very high86.8Confident52 Ų5255.8 Ų55.832%0.31529%0.286SS..EExtended strand (participates in β ladder)trans-114.1115.2168177.40000108.3V2 V67 K93 L94V2-V89 HydrophobicContact CG2-CG2 3.71Å; V67-V89 HydrophobicContact CG1-CG2 4.16Å; V89-K93 CarbonylContact C-O 3.59Å; V89-K93 VanDerWaalsContact CA-O 3.27Å; V89-K93 WeakPolarHBondContact CA-O 3.39Å; V89-L94 HydrophobicContact CG2-CD1 3.78Å
90E93.5Very high87.4Confident106 Ų10655.7 Ų55.750%0.49529%0.286SS..EExtended strand (participates in β ladder)trans-128.2122.2-175.7-68.9170.4-16000108.4T88 G92 K93 V95T88-E90 PolarHBondContact OG1-OE1 3.24Å; E90-G92 PolarHBondContact O-N 2.72Å; E90-G92 VanDerWaalsContact O-N 3.08Å; E90-K93 PolarHBondContact N-O 2.52Å; E90-K93 WeakPolarHBondContact O-CA 3.39Å; E90-K93 VanDerWaalsContact O-CB 3.3Å; E90-K93 WeakPolarHBondContact O-CB 3.27Å; E90-K93 PolarHBondContact O-N 3.22Å; E90-V95 HydrophobicContact CB-CG2 4.17Å
91D92.5Very high87.8Confident168 Ų16855.9 Ų55.990%0.89829%0.294SS*.THydrogen-bonded Turntrans49.737.5-179.1-58.2-37.9000114.2K93D91-K93 VanDerWaalsContact C-N 3.27Å; D91-K93 PolarHBondContact O-N 3.27Å
92G92.8Very high88.5Confident48 Ų4860 Ų6050%0.49534%0.337SS..THydrogen-bonded Turntrans79.51.6-178.600000115F5 E90F5-G92 WeakPolarHBondContact CZ-O 3.5Å; E90-G92 PolarHBondContact O-N 2.72Å; E90-G92 VanDerWaalsContact O-N 3.08Å
93K96.4Very high89.8Confident71 Ų7158.3 Ų58.331%0.30933%0.33SS..EExtended strand (participates in β ladder)trans-96.9141.9177.6-47.8-171.5179.1-159.60110.6V89 E90 D91 V95 V108 R109 E110V89-K93 CarbonylContact C-O 3.59Å; V89-K93 VanDerWaalsContact CA-O 3.27Å; V89-K93 WeakPolarHBondContact CA-O 3.39Å; E90-K93 PolarHBondContact N-O 2.52Å; E90-K93 WeakPolarHBondContact O-CA 3.39Å; E90-K93 VanDerWaalsContact O-CB 3.3Å; E90-K93 WeakPolarHBondContact O-CB 3.27Å; E90-K93 PolarHBondContact O-N 3.22Å; D91-K93 VanDerWaalsContact C-N 3.27Å; D91-K93 PolarHBondContact O-N 3.27Å; K93-V95 HydrophobicContact CB-CG2 4.36Å; K93-V108 HydrophobicContact CB-CG1 3.97Å; K93-V108 HydrophobicContact CD-CG1 3.91Å; K93-R109 WeakPolarHBondContact CA-O 3.42Å; K93-E110 HydrophobicContact CB-CG 4.34Å; K93-E110 HydrophobicContact CD-CG 3.74Å; K93-E110 WeakPolarHBondContact CE-OE2 3.45Å; K93-E110 HydrophobicContact CG-CG 3.87Å; K93-E110 IonicContact NZ-OE1 2.82Å; K93-E110 PolarHBondContact NZ-OE1 2.86Å; K93-E110 IonicContact NZ-OE2 2.86Å; K93-E110 PolarHBondContact NZ-OE2 3.36Å
94L96.3Very high91.6Very high0 Ų059.2 Ų59.20%033%0.327CS..EExtended strand (participates in β ladder)trans-91.2107.6172.2-170.472.1000108.5V2 F5 V87 V89 R109V2-L94 HydrophobicContact CG2-CD1 4.16Å; F5-L94 HydrophobicContact CD1-CB 4.27Å; F5-L94 HydrophobicContact CD2-CB 4.22Å; F5-L94 HydrophobicContact CE1-CB 3.92Å; F5-L94 HydrophobicContact CE2-CB 3.85Å; F5-L94 HydrophobicContact CG-CB 4.42Å; F5-L94 HydrophobicContact CZ-CB 3.7Å; V87-L94 HydrophobicContact CG1-CD1 3.49Å; V87-L94 VanDerWaalsContact CG1-CD1 3.49Å; V87-L94 HydrophobicContact CG1-CD2 4.44Å; V87-L94 HydrophobicContact CG1-CG 3.79Å; V89-L94 HydrophobicContact CG2-CD1 3.78Å; L94-R109 HydrophobicContact CB-CB 4.26Å; L94-R109 PolarHBondContact N-O 3.4Å; L94-R109 PolarHBondContact O-N 3.24Å
95V97.1Very high92.6Very high17 Ų1754.5 Ų54.510%0.10331%0.307CS..EExtended strand (participates in β ladder)trans-102.4116.1-174.2-179.70000108.5V87 T88 E90 K93 V97 V108V87-V95 CarbonylContact C-O 3.59Å; V87-V95 VanDerWaalsContact CA-O 3.26Å; V87-V95 WeakPolarHBondContact CA-O 3.34Å; T88-V95 PolarHBondContact N-O 3.22Å; T88-V95 PolarHBondContact O-N 3.04Å; E90-V95 HydrophobicContact CB-CG2 4.17Å; K93-V95 HydrophobicContact CB-CG2 4.36Å; V95-V97 HydrophobicContact CG1-CG2 4.08Å; V95-V108 HydrophobicContact CG1-CG2 4.37Å; V95-V108 HydrophobicContact CG2-CG1 4.35Å; V95-V108 HydrophobicContact CG2-CG2 4.37Å
96H96.4Very high93Very high6 Ų655.8 Ų55.83%0.02832%0.316CS..EExtended strand (participates in β ladder)trans-112.2115175.2177.7-170000109.6F71 E73 L86 V87 Q98 S106 L107F71-H96 AromaticContact CZ-NE2 3.81Å; E73-H96 IonicContact OE1-CE1 3.43Å; E73-H96 PolarHBondContact OE1-CE1 3.11Å; E73-H96 IonicContact OE2-CE1 3.16Å; E73-H96 PolarHBondContact OE2-CE1 2.79Å; E73-H96 IonicContact OE2-NE2 3.09Å; E73-H96 PolarHBondContact OE2-NE2 2.73Å; E73-H96 VanDerWaalsContact OE2-NE2 3.09Å; L86-H96 WeakPolarHBondContact O-CA 3.42Å; V87-H96 HydrophobicContact CG2-CB 3.84Å; H96-Q98 PolarHBondContact CE1-NE2 2.9Å; H96-Q98 VanDerWaalsContact CE1-NE2 3.34Å; H96-S106 CarbonylContact O-C 3.6Å; H96-S106 WeakPolarHBondContact O-CA 3.2Å; H96-L107 HydrophobicContact CB-CB 4.16Å; H96-L107 PolarHBondContact N-O 2.88Å; H96-L107 PolarHBondContact O-N 3.32Å
97V95.3Very high93.2Very high29 Ų2954.4 Ų54.418%0.17631%0.308CS..EExtended strand (participates in β ladder)trans-105.2130.7177.3-178.60000109.1S85 L86 V95 K99 E104S85-V97 WeakPolarHBondContact CA-O 3.32Å; L86-V97 PolarHBondContact N-O 3.36Å; L86-V97 PolarHBondContact O-N 3.31Å; V95-V97 HydrophobicContact CG1-CG2 4.08Å; V97-K99 HydrophobicContact CG1-CG 4.06Å; V97-E104 HydrophobicContact CG1-CG 3.79Å
98Q92.8Very high93.3Very high7 Ų755.7 Ų55.73%0.03332%0.316CS..EExtended strand (participates in β ladder)trans-119.8130.2175.1-53.7176.2-25.900109.1E73 R79 V81 H96 W100 E104 T105 L107E73-Q98 PolarHBondContact OE1-NE2 3.47Å; E73-Q98 PolarHBondContact OE2-NE2 2.97Å; R79-Q98 VanDerWaalsContact NH2-OE1 3.11Å; V81-Q98 HydrophobicContact CG1-CB 4.42Å; V81-Q98 HydrophobicContact CG2-CB 4.38Å; H96-Q98 PolarHBondContact CE1-NE2 2.9Å; H96-Q98 VanDerWaalsContact CE1-NE2 3.34Å; Q98-W100 HydrophobicContact CB-CZ3 4.46Å; Q98-W100 WeakPolarHBondContact O-CZ3 3.45Å; Q98-E104 WeakPolarHBondContact O-CA 3.45Å; Q98-T105 HydrophobicContact CB-CG2 3.92Å; Q98-T105 HydrophobicContact CG-CG2 4.32Å; Q98-T105 PolarHBondContact N-O 3.25Å; Q98-T105 PolarHBondContact O-N 3.46Å; Q98-L107 HydrophobicContact CG-CD1 4.15Å
99K89.6Confident93.4Very high86 Ų8655.3 Ų55.337%0.37431%0.312SS..EExtended strand (participates in β ladder)trans-126.8130.6178.3-42.5-174.7-172.1-143.10112.2V81 K84 V97 K103 E104V81-K99 WeakPolarHBondContact CG1-O 3.47Å; K84-K99 HydrophobicContact CB-CB 3.74Å; K84-K99 HydrophobicContact CB-CG 4.25Å; K84-K99 WeakPolarHBondContact CB-O 3.38Å; K84-K99 HydrophobicContact CD-CB 3.79Å; K84-K99 HydrophobicContact CG-CB 4.41Å; K84-K99 PolarHBondContact O-N 3.11Å; V97-K99 HydrophobicContact CG1-CG 4.06Å; K99-K103 CarbonylContact C-O 3.55Å; K99-K103 VanDerWaalsContact CA-O 3.3Å; K99-K103 WeakPolarHBondContact CA-O 3.49Å; K99-E104 WeakPolarHBondContact CD-OE2 3.48Å; K99-E104 WeakPolarHBondContact CE-OE2 3.49Å; K99-E104 HydrophobicContact CG-CB 4.37Å; K99-E104 HydrophobicContact CG-CG 4.07Å; K99-E104 IonicContact NZ-OE2 2.69Å; K99-E104 PolarHBondContact NZ-OE2 3.46Å
100W88.1Confident93.6Very high28 Ų2856.1 Ų56.111%0.10631%0.312CS..EExtended strand (participates in β ladder)trans-150.5141.3179.170.6102.3000109.6L24 Q98 G102 K103 T105 I122L24-W100 HydrophobicContact CD2-CH2 3.55Å; L24-W100 HydrophobicContact CD2-CZ2 3.78Å; Q98-W100 HydrophobicContact CB-CZ3 4.46Å; Q98-W100 WeakPolarHBondContact O-CZ3 3.45Å; W100-G102 PolarHBondContact O-N 3.04Å; W100-K103 HydrophobicContact CD2-CB 4.16Å; W100-K103 HydrophobicContact CE3-CB 4.45Å; W100-K103 HydrophobicContact CH2-CB 4.13Å; W100-K103 HydrophobicContact CZ2-CB 3.85Å; W100-K103 HydrophobicContact CZ2-CD 4.02Å; W100-K103 HydrophobicContact CZ3-CB 4.39Å; W100-K103 PolarHBondContact N-O 3.34Å; W100-K103 WeakPolarHBondContact O-CA 3.26Å; W100-K103 WeakPolarHBondContact O-CB 3.37Å; W100-K103 PolarHBondContact O-N 2.92Å; W100-T105 HydrophobicContact CH2-CG2 3.95Å; W100-T105 HydrophobicContact CZ3-CG2 3.72Å; W100-I122 HydrophobicContact CH2-CD1 3.86Å; W100-I122 HydrophobicContact CZ2-CD1 4.16Å
101D85.6Confident93.7Very high160 Ų16053.2 Ų53.286%0.85630%0.301SS*.THydrogen-bonded Turntrans45.837.9172.5-54.6-28.7000115.5K103D101-K103 PolarHBondContact O-N 3.22Å
102G85.4Confident93.9Very high88 Ų8851.5 Ų51.591%0.90729%0.292SS*.THydrogen-bonded Turntrans77.7-0.2-177.900000115.5W100W100-G102 PolarHBondContact O-N 3.04Å
103K88.8Confident94Very high97 Ų9751.8 Ų51.842%0.42230%0.295SS..EExtended strand (participates in β ladder)trans-95.3155.8170.8-63.4-172.5176.2-166.90111.6K99 W100 D101K99-K103 CarbonylContact C-O 3.55Å; K99-K103 VanDerWaalsContact CA-O 3.3Å; K99-K103 WeakPolarHBondContact CA-O 3.49Å; W100-K103 HydrophobicContact CD2-CB 4.16Å; W100-K103 HydrophobicContact CE3-CB 4.45Å; W100-K103 HydrophobicContact CH2-CB 4.13Å; W100-K103 HydrophobicContact CZ2-CB 3.85Å; W100-K103 HydrophobicContact CZ2-CD 4.02Å; W100-K103 HydrophobicContact CZ3-CB 4.39Å; W100-K103 PolarHBondContact N-O 3.34Å; W100-K103 WeakPolarHBondContact O-CA 3.26Å; W100-K103 WeakPolarHBondContact O-CB 3.37Å; W100-K103 PolarHBondContact O-N 2.92Å; D101-K103 PolarHBondContact O-N 3.22Å
104E92.4Very high94Very high97 Ų9753.9 Ų53.945%0.45331%0.31SS..EExtended strand (participates in β ladder)trans-139.2139.6176.3-179.2172.2122.200109.6V97 Q98 K99V97-E104 HydrophobicContact CG1-CG 3.79Å; Q98-E104 WeakPolarHBondContact O-CA 3.45Å; K99-E104 WeakPolarHBondContact CD-OE2 3.48Å; K99-E104 WeakPolarHBondContact CE-OE2 3.49Å; K99-E104 HydrophobicContact CG-CB 4.37Å; K99-E104 HydrophobicContact CG-CG 4.07Å; K99-E104 IonicContact NZ-OE2 2.69Å; K99-E104 PolarHBondContact NZ-OE2 3.46Å
105T95.1Very high94.1Very high1 Ų160.4 Ų60.41%0.00634%0.338CS..EExtended strand (participates in β ladder)trans-130.7148.3166.9-170.90000109.7Y20 L24 Q98 W100 L107 K121Y20-T105 WeakPolarHBondContact CE2-OG1 3.41Å; Y20-T105 PolarHBondContact OH-OG1 2.94Å; L24-T105 HydrophobicContact CD2-CG2 4.41Å; Q98-T105 HydrophobicContact CB-CG2 3.92Å; Q98-T105 HydrophobicContact CG-CG2 4.32Å; Q98-T105 PolarHBondContact N-O 3.25Å; Q98-T105 PolarHBondContact O-N 3.46Å; W100-T105 HydrophobicContact CH2-CG2 3.95Å; W100-T105 HydrophobicContact CZ3-CG2 3.72Å; T105-L107 HydrophobicContact CG2-CD1 4.05Å; T105-K121 VanDerWaalsContact CA-O 3.29Å; T105-K121 WeakPolarHBondContact CA-O 3.42Å; T105-K121 PolarHBondContact OG1-O 2.74Å
106S96.4Very high94.1Very high28 Ų2859.8 Ų59.820%0.19633%0.334CS..EExtended strand (participates in β ladder)trans-119.8138.1176.366.10000111H96 L120 K121H96-S106 CarbonylContact O-C 3.6Å; H96-S106 WeakPolarHBondContact O-CA 3.2Å; S106-L120 WeakPolarHBondContact O-CA 3.3Å; S106-K121 PolarHBondContact N-O 3.05Å; S106-K121 PolarHBondContact O-N 3.5Å
107L97.2Very high94.2Very high22 Ų2261.6 Ų61.612%0.11535%0.346CS..EExtended strand (participates in β ladder)trans-121.4102.9175.4-61.987.3000107.9H96 Q98 T105 L118 T119 L120H96-L107 HydrophobicContact CB-CB 4.16Å; H96-L107 PolarHBondContact N-O 2.88Å; H96-L107 PolarHBondContact O-N 3.32Å; Q98-L107 HydrophobicContact CG-CD1 4.15Å; T105-L107 HydrophobicContact CG2-CD1 4.05Å; L107-L118 HydrophobicContact CB-CD1 4.04Å; L107-T119 WeakPolarHBondContact CA-O 3.44Å; L107-L120 HydrophobicContact CB-CD2 3.92Å; L107-L120 HydrophobicContact CD2-CD2 3.47Å; L107-L120 VanDerWaalsContact CD2-CD2 3.47Å; L107-L120 HydrophobicContact CG-CD2 3.39Å
108V97.9Very high94.4Very high28 Ų2860.7 Ų60.717%0.1734%0.34CS..EExtended strand (participates in β ladder)trans-104.4122.9-177.7-177.70000109.3K93 V95 E110 L118 T119K93-V108 HydrophobicContact CB-CG1 3.97Å; K93-V108 HydrophobicContact CD-CG1 3.91Å; V95-V108 HydrophobicContact CG1-CG2 4.37Å; V95-V108 HydrophobicContact CG2-CG1 4.35Å; V95-V108 HydrophobicContact CG2-CG2 4.37Å; V108-E110 HydrophobicContact CG1-CG 4.35Å; V108-L118 CarbonylContact O-C 3.58Å; V108-L118 WeakPolarHBondContact O-CA 3.31Å; V108-T119 PolarHBondContact N-O 3.28Å; V108-T119 PolarHBondContact O-N 3.46Å
109R97.8Very high94.6Very high23 Ų2362 Ų629%0.08735%0.349CS..EExtended strand (participates in β ladder)trans-106.4136.2174.9-63.3174.9-179.276-2110.7F5 K93 L94 L116 T117 L118F5-R109 HydrophobicContact CD1-CB 4Å; F5-R109 HydrophobicContact CE1-CB 3.67Å; F5-R109 VanDerWaalsContact CE1-O 3.26Å; F5-R109 WeakPolarHBondContact CE1-O 3.12Å; F5-R109 WeakPolarHBondContact CZ-O 3.35Å; K93-R109 WeakPolarHBondContact CA-O 3.42Å; L94-R109 HydrophobicContact CB-CB 4.26Å; L94-R109 PolarHBondContact N-O 3.4Å; L94-R109 PolarHBondContact O-N 3.24Å; R109-L116 HydrophobicContact CG-CD2 4.39Å; R109-T117 CarbonylContact C-O 3.6Å; R109-T117 WeakPolarHBondContact CA-O 3.45Å; R109-L118 HydrophobicContact CG-CB 4.45Å; R109-L118 HydrophobicContact CG-CD1 3.74Å
110E97.6Very high95Very high68 Ų6858.2 Ų58.232%0.31833%0.332SS..EExtended strand (participates in β ladder)trans-130133.3176.5-53.5-172.4-13900108.5K93 V108 L116 T117K93-E110 HydrophobicContact CB-CG 4.34Å; K93-E110 HydrophobicContact CD-CG 3.74Å; K93-E110 WeakPolarHBondContact CE-OE2 3.45Å; K93-E110 HydrophobicContact CG-CG 3.87Å; K93-E110 IonicContact NZ-OE1 2.82Å; K93-E110 PolarHBondContact NZ-OE1 2.86Å; K93-E110 IonicContact NZ-OE2 2.86Å; K93-E110 PolarHBondContact NZ-OE2 3.36Å; V108-E110 HydrophobicContact CG1-CG 4.35Å; E110-L116 CarbonylContact O-C 3.6Å; E110-L116 WeakPolarHBondContact O-CA 3.3Å; E110-T117 PolarHBondContact N-O 2.77Å; E110-T117 PolarHBondContact O-N 3.42Å
111V97.4Very high95.5Very high45 Ų4561.8 Ų61.827%0.27335%0.349SS..EExtended strand (participates in β ladder)trans-113.4130.6177.8170.50000109.6F5 W9 K115 L116F5-V111 HydrophobicContact CD1-CG2 3.48Å; F5-V111 VanDerWaalsContact CD1-CG2 3.48Å; F5-V111 HydrophobicContact CE1-CB 4.42Å; F5-V111 HydrophobicContact CE1-CG2 3.71Å; F5-V111 HydrophobicContact CG-CG2 4.2Å; W9-V111 HydrophobicContact CH2-CG1 3.9Å; W9-V111 HydrophobicContact CH2-CG2 4.06Å; W9-V111 HydrophobicContact CZ2-CG1 4.32Å; W9-V111 HydrophobicContact CZ2-CG2 3.94Å; V111-K115 WeakPolarHBondContact CA-O 3.38Å; V111-L116 HydrophobicContact CG2-CB 4.2Å; V111-L116 HydrophobicContact CG2-CD1 4.06Å; V111-L116 HydrophobicContact CG2-CG 4.15Å
112D96.2Very high96Very high132 Ų13254.5 Ų54.571%0.70631%0.31SS*.EExtended strand (participates in β ladder)trans-132100.1171.3179.517.9000108.7N114 K115D112-N114 PolarHBondContact O-N 3.38Å; D112-N114 VanDerWaalsContact O-N 3.12Å; D112-K115 PolarHBondContact N-O 2.82Å; D112-K115 WeakPolarHBondContact O-CB 3.48Å; D112-K115 PolarHBondContact O-N 2.91Å
113G94.8Very high96.4Very high55 Ų5552.7 Ų52.757%0.56729%0.291SS*.THydrogen-bonded Turntrans55.9-114.8-173.500000112.4K115G113-K115 VanDerWaalsContact C-N 3.34Å
114N96.4Very high96.6Very high115 Ų11556 Ų5662%0.61531%0.313SS*.THydrogen-bonded Turntrans-93.112.9179.9-70.3-15.2000113.6D112 E132 K133D112-N114 PolarHBondContact O-N 3.38Å; D112-N114 VanDerWaalsContact O-N 3.12Å; N114-E132 CarbonylContact O-C 3.58Å; N114-E132 WeakPolarHBondContact O-CA 3.5Å; N114-K133 HydrophobicContact CB-CB 4.15Å; N114-K133 PolarHBondContact O-N 2.94Å
115K97.5Very high96.9Very high136 Ų13653 Ų5359%0.59130%0.302SS*.EExtended strand (participates in β ladder)trans-114.1135178.2-62.7179-179.1175.60110.4V111 D112 G113 Y131V111-K115 WeakPolarHBondContact CA-O 3.38Å; D112-K115 PolarHBondContact N-O 2.82Å; D112-K115 WeakPolarHBondContact O-CB 3.48Å; D112-K115 PolarHBondContact O-N 2.91Å; G113-K115 VanDerWaalsContact C-N 3.34Å; K115-Y131 WeakPolarHBondContact CA-O 3.21Å
116L98.1Very high97Very high4 Ų456 Ų562%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-118.4124.7168.9179.5159.1000108.7F5 W9 I43 R109 E110 V111 L118 Y131F5-L116 HydrophobicContact CD1-CD1 4.42Å; W9-L116 HydrophobicContact CD2-CB 3.75Å; W9-L116 HydrophobicContact CD2-CD1 3.79Å; W9-L116 HydrophobicContact CD2-CG 4.42Å; W9-L116 HydrophobicContact CE3-CB 3.41Å; W9-L116 VanDerWaalsContact CE3-CB 3.41Å; W9-L116 HydrophobicContact CE3-CD1 4.35Å; W9-L116 HydrophobicContact CG-CB 4.46Å; W9-L116 HydrophobicContact CG-CD1 3.95Å; W9-L116 HydrophobicContact CH2-CB 4.04Å; W9-L116 HydrophobicContact CZ2-CB 4.33Å; W9-L116 HydrophobicContact CZ2-CD1 4.24Å; W9-L116 HydrophobicContact CZ3-CB 3.57Å; I43-L116 HydrophobicContact CD1-CD1 4.27Å; R109-L116 HydrophobicContact CG-CD2 4.39Å; E110-L116 CarbonylContact O-C 3.6Å; E110-L116 WeakPolarHBondContact O-CA 3.3Å; V111-L116 HydrophobicContact CG2-CB 4.2Å; V111-L116 HydrophobicContact CG2-CD1 4.06Å; V111-L116 HydrophobicContact CG2-CG 4.15Å; L116-L118 HydrophobicContact CD2-CB 4.21Å; L116-Y131 HydrophobicContact CD2-CD2 3.63Å; L116-Y131 HydrophobicContact CD2-CE2 4.21Å; L116-Y131 HydrophobicContact CD2-CG 4.17Å; L116-Y131 PolarHBondContact N-O 3.29Å; L116-Y131 PolarHBondContact O-N 2.97Å
117T98.2Very high97.1Very high44 Ų4454.6 Ų54.627%0.2731%0.31SS..EExtended strand (participates in β ladder)trans-103.8127.9171.8-580000108.8R109 E110R109-T117 CarbonylContact C-O 3.6Å; R109-T117 WeakPolarHBondContact CA-O 3.45Å; E110-T117 PolarHBondContact N-O 2.77Å; E110-T117 PolarHBondContact O-N 3.42Å
118L98.1Very high97.1Very high10 Ų1056.5 Ų56.55%0.05232%0.319CS..EExtended strand (participates in β ladder)trans-113.6113.9173.9169.461.7000108.8L107 V108 R109 L116 L120 R129 Y131L107-L118 HydrophobicContact CB-CD1 4.04Å; V108-L118 CarbonylContact O-C 3.58Å; V108-L118 WeakPolarHBondContact O-CA 3.31Å; R109-L118 HydrophobicContact CG-CB 4.45Å; R109-L118 HydrophobicContact CG-CD1 3.74Å; L116-L118 HydrophobicContact CD2-CB 4.21Å; L118-L120 HydrophobicContact CD1-CD2 3.75Å; L118-L120 HydrophobicContact CD1-CG 4.47Å; L118-L120 HydrophobicContact CD2-CD2 3.99Å; L118-L120 HydrophobicContact CD2-CG 4.44Å; L118-L120 HydrophobicContact CG-CD2 3.79Å; L118-L120 HydrophobicContact CG-CG 4.09Å; L118-R129 HydrophobicContact CB-CB 4.22Å; L118-R129 PolarHBondContact N-O 3.01Å; L118-R129 PolarHBondContact O-N 3.15Å; L118-Y131 HydrophobicContact CB-CE2 3.93Å; L118-Y131 HydrophobicContact CD2-CE2 4.16Å
119T98.3Very high97.1Very high35 Ų3555.7 Ų55.722%0.21531%0.313CS..EExtended strand (participates in β ladder)trans-99.5118.8174.8-56.20000109L107 V108 V126 C127L107-T119 WeakPolarHBondContact CA-O 3.44Å; V108-T119 PolarHBondContact N-O 3.28Å; V108-T119 PolarHBondContact O-N 3.46Å; T119-V126 HydrophobicContact CG2-CG1 3.82Å; T119-C127 WeakPolarHBondContact CA-O 3.33Å
120L97.8Very high97.1Very high7 Ų758.3 Ų58.34%0.03732%0.322CS..EExtended strand (participates in β ladder)trans-106.3126.9178.8-56175000108.4F17 Y20 S106 L107 L118 V126 C127 R129F17-L120 HydrophobicContact CD2-CD1 4.02Å; F17-L120 HydrophobicContact CE2-CD1 3.94Å; Y20-L120 HydrophobicContact CD1-CB 4.27Å; Y20-L120 HydrophobicContact CD1-CD1 3.92Å; Y20-L120 HydrophobicContact CD2-CB 3.81Å; Y20-L120 HydrophobicContact CE1-CB 4.09Å; Y20-L120 HydrophobicContact CE1-CD1 3.83Å; Y20-L120 HydrophobicContact CE1-CG 4.42Å; Y20-L120 HydrophobicContact CE2-CB 3.66Å; Y20-L120 HydrophobicContact CG-CB 4.14Å; Y20-L120 HydrophobicContact CG-CD1 4.47Å; S106-L120 WeakPolarHBondContact O-CA 3.3Å; L107-L120 HydrophobicContact CB-CD2 3.92Å; L107-L120 HydrophobicContact CD2-CD2 3.47Å; L107-L120 VanDerWaalsContact CD2-CD2 3.47Å; L107-L120 HydrophobicContact CG-CD2 3.39Å; L118-L120 HydrophobicContact CD1-CD2 3.75Å; L118-L120 HydrophobicContact CD1-CG 4.47Å; L118-L120 HydrophobicContact CD2-CD2 3.99Å; L118-L120 HydrophobicContact CD2-CG 4.44Å; L118-L120 HydrophobicContact CG-CD2 3.79Å; L118-L120 HydrophobicContact CG-CG 4.09Å; L120-V126 CarbonylContact O-C 3.49Å; L120-V126 WeakPolarHBondContact O-CA 3.24Å; L120-C127 HydrophobicContact CB-CB 4.07Å; L120-C127 HydrophobicContact CD1-CB 4.47Å; L120-C127 PolarHBondContact N-O 3.33Å; L120-C127 PolarHBondContact O-N 3.29Å; L120-R129 HydrophobicContact CD1-CG 4.46Å
121K97.9Very high97.2Very high102 Ų10255.6 Ų55.644%0.44331%0.31SS..EExtended strand (participates in β ladder)trans-134.7130.3-179.5-178.5-176.7177.8-174.10112T105 S106 G123 V125 V126T105-K121 VanDerWaalsContact CA-O 3.29Å; T105-K121 WeakPolarHBondContact CA-O 3.42Å; T105-K121 PolarHBondContact OG1-O 2.74Å; S106-K121 PolarHBondContact N-O 3.05Å; S106-K121 PolarHBondContact O-N 3.5Å; K121-G123 WeakPolarHBondContact CE-O 3.27Å; K121-V125 WeakPolarHBondContact CA-O 3.19Å; K121-V126 HydrophobicContact CD-CG2 4.42Å; K121-V126 HydrophobicContact CG-CG2 4.16Å
122I96.1Very high97.2Very high8 Ų857.7 Ų57.74%0.04132%0.316CS..EExtended strand (participates in β ladder)trans-139.7124.3169.1-178.1167.6000108.9Y20 E23 L24 W100 D124 V125Y20-I122 HydrophobicContact CD2-CB 4.45Å; Y20-I122 HydrophobicContact CD2-CG2 3.57Å; Y20-I122 HydrophobicContact CE2-CB 4.09Å; Y20-I122 HydrophobicContact CE2-CG2 3.66Å; E23-I122 HydrophobicContact CB-CG2 3.69Å; E23-I122 HydrophobicContact CG-CB 4.39Å; E23-I122 HydrophobicContact CG-CD1 4.25Å; E23-I122 HydrophobicContact CG-CG1 4.03Å; E23-I122 HydrophobicContact CG-CG2 3.6Å; L24-I122 HydrophobicContact CD2-CD1 3.59Å; L24-I122 HydrophobicContact CG-CD1 4.21Å; W100-I122 HydrophobicContact CH2-CD1 3.86Å; W100-I122 HydrophobicContact CZ2-CD1 4.16Å; I122-D124 PolarHBondContact O-N 3.29Å; I122-V125 HydrophobicContact CG2-CB 4.37Å; I122-V125 PolarHBondContact N-O 3.01Å; I122-V125 VanDerWaalsContact N-O 3.08Å; I122-V125 WeakPolarHBondContact O-CB 3.48Å; I122-V125 PolarHBondContact O-N 3.08Å
123G93.6Very high97.3Very high49 Ų4955.2 Ų55.251%0.50530%0.299SS..THydrogen-bonded Turntrans53.7-125.2-170.300000111.5K121K121-G123 WeakPolarHBondContact CE-O 3.27Å
124D94.9Very high97.2Very high168 Ų16854.1 Ų54.190%0.89829%0.285SS*.THydrogen-bonded Turntrans-90.1-5.3176.9-62.1-40.7000113.6I122I122-D124 PolarHBondContact O-N 3.29Å
125V97.2Very high96.2Very high34 Ų3461.4 Ų61.421%0.20632%0.315CS..EExtended strand (participates in β ladder)trans-84.2124.7-178.8-178.60000109.9D19 E23 K121 I122D19-V125 HydrophobicContact CB-CG1 3.95Å; E23-V125 HydrophobicContact CB-CG2 4.19Å; E23-V125 HydrophobicContact CG-CG2 4.18Å; K121-V125 WeakPolarHBondContact CA-O 3.19Å; I122-V125 HydrophobicContact CG2-CB 4.37Å; I122-V125 PolarHBondContact N-O 3.01Å; I122-V125 VanDerWaalsContact N-O 3.08Å; I122-V125 WeakPolarHBondContact O-CB 3.48Å; I122-V125 PolarHBondContact O-N 3.08Å
126V98.1Very high96.2Very high62 Ų6257.7 Ų57.738%0.37630%0.301SS..EExtended strand (participates in β ladder)trans-119.5123.8173.9-177.10000109.2K16 T119 L120 K121K16-V126 WeakPolarHBondContact CD-O 3.46Å; T119-V126 HydrophobicContact CG2-CG1 3.82Å; L120-V126 CarbonylContact O-C 3.49Å; L120-V126 WeakPolarHBondContact O-CA 3.24Å; K121-V126 HydrophobicContact CD-CG2 4.42Å; K121-V126 HydrophobicContact CG-CG2 4.16Å
127C97.9Very high96.1Very high0 Ų060.5 Ų60.50%032%0.316CS..EExtended strand (participates in β ladder)trans-112.2139.7171.9162.30000109.4E15 K16 Y20 T119 L120E15-C127 WeakPolarHBondContact O-CA 3.35Å; E15-C127 WeakPolarHBondContact O-CB 3.41Å; E15-C127 PolarHBondContact O-SG 2.76Å; K16-C127 HydrophobicContact CB-CB 4.43Å; Y20-C127 HydrophobicContact CG-CB 4.11Å; T119-C127 WeakPolarHBondContact CA-O 3.33Å; L120-C127 HydrophobicContact CB-CB 4.07Å; L120-C127 HydrophobicContact CD1-CB 4.47Å; L120-C127 PolarHBondContact N-O 3.33Å; L120-C127 PolarHBondContact O-N 3.29Å
128M98Very high96Very high62 Ų6261.4 Ų61.431%0.30532%0.319SS..EExtended strand (participates in β ladder)trans-118.5133.2175.1-69.8-174.3-65.400109.7S14 E15S14-M128 WeakPolarHBondContact CA-O 3.5Å; E15-M128 PolarHBondContact N-O 2.81Å; E15-M128 PolarHBondContact O-N 3.35Å; E15-M128 WeakPolarHBondContact OE2-CE 3.45Å
129R97.9Very high95.8Very high11 Ų1164.5 Ų64.54%0.04233%0.334CS..EExtended strand (participates in β ladder)trans-124.8128.1175.3-63.7-179.469.894.7-15.8109L11 E13 S14 F17 L118 L120 Y131L11-R129 HydrophobicContact CD1-CB 3.84Å; L11-R129 HydrophobicContact CD1-CG 4.38Å; E13-R129 CarbonylContact O-C 3.49Å; E13-R129 WeakPolarHBondContact O-CA 3.46Å; S14-R129 PolarHBondContact OG-NH1 2.81Å; F17-R129 VanDerWaalsContact CG-NH1 3.34Å; L118-R129 HydrophobicContact CB-CB 4.22Å; L118-R129 PolarHBondContact N-O 3.01Å; L118-R129 PolarHBondContact O-N 3.15Å; L120-R129 HydrophobicContact CD1-CG 4.46Å; R129-Y131 HydrophobicContact CB-CD2 4.45Å; R129-Y131 HydrophobicContact CB-CE2 3.58Å; R129-Y131 PolarHBondContact NE-OH 3.05Å; R129-Y131 VanDerWaalsContact NE-OH 3.13Å
130R98Very high95.7Very high77 Ų7766.3 Ų66.329%0.29134%0.342SS..EExtended strand (participates in β ladder)trans-112.6131.6-179.3-58.2-172.3-174.283.48110.2K12 E13 E15K12-R130 PolarHBondContact N-O 3.3Å; E13-R130 HydrophobicContact CB-CB 4.25Å; E13-R130 PolarHBondContact N-O 3.42Å; E13-R130 PolarHBondContact O-N 3.23Å; E13-R130 IonicContact OE1-NH1 3.72Å; E13-R130 PolarHBondContact OE1-NH1 3.39Å; E13-R130 IonicContact OE2-CZ 3.01Å; E13-R130 IonicContact OE2-NH1 3.03Å; E13-R130 PolarHBondContact OE2-NH1 3.02Å; E15-R130 IonicContact OE1-CZ 2.71Å; E15-R130 VanDerWaalsContact OE1-CZ 3.32Å; E15-R130 IonicContact OE1-NH1 3.75Å; E15-R130 PolarHBondContact OE1-NH1 3.15Å; E15-R130 IonicContact OE1-NH2 2.71Å; E15-R130 PolarHBondContact OE1-NH2 3.22Å
131Y98.2Very high95.6Very high12 Ų1270.3 Ų70.35%0.04736%0.362CS..EExtended strand (participates in β ladder)trans-123.5151.3-177.5-58.4-109.6000109.8W9 N10 L11 K115 L116 L118 R129W9-Y131 HydrophobicContact CB-CD1 4.17Å; W9-Y131 HydrophobicContact CB-CG 4.38Å; N10-Y131 CarbonylContact O-C 3.56Å; N10-Y131 VanDerWaalsContact O-CA 3.24Å; N10-Y131 WeakPolarHBondContact O-CA 3.39Å; L11-Y131 HydrophobicContact CB-CD1 3.99Å; L11-Y131 HydrophobicContact CB-CE1 3.83Å; L11-Y131 HydrophobicContact CD1-CD1 4.21Å; L11-Y131 HydrophobicContact CD1-CD2 4.2Å; L11-Y131 HydrophobicContact CD1-CE1 3.81Å; L11-Y131 HydrophobicContact CD1-CE2 3.76Å; L11-Y131 HydrophobicContact CD1-CG 4.39Å; L11-Y131 HydrophobicContact CG-CE1 4.46Å; K115-Y131 WeakPolarHBondContact CA-O 3.21Å; L116-Y131 HydrophobicContact CD2-CD2 3.63Å; L116-Y131 HydrophobicContact CD2-CE2 4.21Å; L116-Y131 HydrophobicContact CD2-CG 4.17Å; L116-Y131 PolarHBondContact N-O 3.29Å; L116-Y131 PolarHBondContact O-N 2.97Å; L118-Y131 HydrophobicContact CB-CE2 3.93Å; L118-Y131 HydrophobicContact CD2-CE2 4.16Å; R129-Y131 HydrophobicContact CB-CD2 4.45Å; R129-Y131 HydrophobicContact CB-CE2 3.58Å; R129-Y131 PolarHBondContact NE-OH 3.05Å; R129-Y131 VanDerWaalsContact NE-OH 3.13Å
132E97.9Very high95.4Very high88 Ų8868 Ų6841%0.41136%0.357SS..EExtended strand (participates in β ladder)trans-114141.9169.3-72.3174.6172.800109.9W9 N10 K12 N114 A134W9-E132 CarbonylContact C-O 3.57Å; W9-E132 WeakPolarHBondContact CA-O 3.26Å; N10-E132 PolarHBondContact N-O 3.37Å; N10-E132 PolarHBondContact O-N 3.12Å; K12-E132 VanDerWaalsContact CE-OE2 3.27Å; K12-E132 WeakPolarHBondContact CE-OE2 3.41Å; K12-E132 HydrophobicContact CG-CB 4.09Å; K12-E132 HydrophobicContact CG-CG 3.75Å; K12-E132 IonicContact NZ-OE2 3.05Å; K12-E132 PolarHBondContact NZ-OE2 2.84Å; N114-E132 CarbonylContact O-C 3.58Å; N114-E132 WeakPolarHBondContact O-CA 3.5Å; E132-A134 PolarHBondContact O-N 3.28Å
133K97.4Very high95.3Very high81 Ų8172.6 Ų72.635%0.35238%0.381SS..EExtended strand (participates in β ladder)trans-62.8132.6174.8-154.7168.8-170.5167.50109.2V6 T8 W9 N114V6-K133 PolarHBondContact O-NZ 3.4Å; T8-K133 CarbonylContact O-C 3.58Å; T8-K133 WeakPolarHBondContact O-CA 3.4Å; W9-K133 HydrophobicContact CE3-CB 3.92Å; W9-K133 HydrophobicContact CE3-CG 4.33Å; W9-K133 HydrophobicContact CH2-CB 4.11Å; W9-K133 HydrophobicContact CH2-CD 4.06Å; W9-K133 HydrophobicContact CH2-CG 4.19Å; W9-K133 HydrophobicContact CZ2-CD 4.24Å; W9-K133 HydrophobicContact CZ2-CG 4.38Å; W9-K133 HydrophobicContact CZ3-CB 3.66Å; W9-K133 HydrophobicContact CZ3-CD 4.48Å; W9-K133 HydrophobicContact CZ3-CG 4.16Å; N114-K133 HydrophobicContact CB-CB 4.15Å; N114-K133 PolarHBondContact O-N 2.94Å
134A93.6Very high95.5Very high32 Ų3274.6 Ų74.626%0.26437%0.37SS..  trans-69142.8170.500000109.2T8 E132T8-A134 HydrophobicContact CG2-CB 3.74Å; T8-A134 PolarHBondContact O-N 3.1Å; E132-A134 PolarHBondContact O-N 3.28Å
135E76.6Confident95.5Very high268 Ų26866.1 Ų66.1100%1.25232%0.322SS*.  trans-670170.4-65.8-177.1160.300111.8

Retrieved 135 of 135 residues in 78.7 ms (Link to these results)

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